A0A5K4F8A7_SCHMA Loading...

BTB domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F8A7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 983 aa.

						>A0A5K4F8A7_SCHMA|A0A5K4F8A7
MCALINCQRASSKKSKAKIFNYFCKELSDVLECDPDTIGRADVTFVVGQNIYHGNQKTISILSEELKKCFQSESGDVDYTSTHGCILKVTKSKSSSSVKVFIDASADVFEAVLNYMLTLRLTVPEELIPHVYFLSKCLQIKTLETTCIEFLIHNLSINSVGVLCRFIQFSGVYQNSNEFATSPKSYPPEMCLTKTLHQYLLTEADAIACSQTGVLSARLIVNLTGNFDSSDHQNEIQEPSNEYLAFGVLRWAFEKLLTGERLARAGSEDNVCSDDEESDGNSSNPAVGNSNGSRRKRAGSQFQFLAQKNLLSGIRSKCGTSVQYSHASDDNDDSDDLNAEIKAEECGSVSDTLDSLRYCSTQDIRISVDINDLPLSREENGMSNISQNGHSLLTVCLTTGNQESETCLLAPTSLGIRSTSIWLAKLAGYLVSLSIKRYPPTHRSIQQLDQELMNEVNQSRSRHQSRGSSISNTSSVPNDLNSIMENEINTTKCCAESICSEFPKCTGTAVPKSDNVYEVTHTMTASSASNLARAIVGSSLLRQSFTDQVYQSEILCINHNDGTGQDSPLRMLEARSSFGIGQLSCNSKHYIAIIGGYNRKGCLDSVELFVENNHNQQYESCSDEDSPVSPSIIGPRLTKQRGRLAVVSSYLQSSDFPDIIYACGGSTGSKDLASVDKLTCEALGSWLINHEVVTKSHHDNLDDHVYTNGSRKSSDFRIRTDSIAHNHASSNGSGLSSVTFWQTIRSLHEARTNPVGVDLSGLQQGPLITSTNGSILVAGGVSGAQFLSSVEAYIPDRDEWVYMPSMLQGRREACANVLTSRNLIVVIGGVVNTNTTYTTSQNVTVEALDPRCDTWFYIPNTPGNSFGQIRGASLTYCPNSKGHLGANVSIVNYCDLTKSKPCHYCTKSDNLLLVGGYNGQDTLDTTWIFDPVAWKWRSGPNLIFARSSCCTTLTSDQRYNLVFGGYNPLKFNTGFSDTIEMIF
					

Structure Viewer

Loading PAE data...

(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	29.5	Very low	26.4	Very low	242 Å²	242	151.4 Å²	151.4	100%	1.192	86%	0.855	S	S	*	*				0	119.4	0	-67.9	-176.9	-172.9	0	0	107.2
2	C	26.6	Very low	26.5	Very low	134 Å²	134	147.7 Å²	147.7	91%	0.905	85%	0.846	S	S	*	*			trans	-84.8	124.4	-168.1	-48.2	0	0	0	0	111.6
3	A	25.8	Very low	26.6	Very low	99 Å²	99	152.2 Å²	152.2	82%	0.818	85%	0.85	S	S	*	*			trans	-154.1	56.8	-178.6	0	0	0	0	0	113
4	L	27.4	Very low	26.7	Very low	167 Å²	167	157 Å²	157	87%	0.874	86%	0.857	S	S	*	*			trans	-154.4	140.7	172.5	-89.4	161.9	0	0	0	106
5	I	27.9	Very low	27.1	Very low	145 Å²	145	152.5 Å²	152.5	74%	0.744	84%	0.842	S	S	*	*			cis	-120.2	143.2	-1.3	-65.7	170.5	0	0	0	108.2
6	N	25	Very low	27.6	Very low	131 Å²	131	154.1 Å²	154.1	70%	0.701	84%	0.838	S	S	*	*			trans	-103.7	102.5	-179	-173.2	9.5	0	0	0	112	Q8	N6-Q8 PolarHBondContact OD1-N 3.24Å
7	C	27.4	Very low	28.1	Very low	108 Å²	108	149 Å²	149	73%	0.73	82%	0.821	S	S	*	*			trans	-112	40.5	171.9	-69.4	0	0	0	0	112.5	R9	C7-R9 PolarHBondContact O-N 3.42Å
8	Q	24	Very low	28.7	Very low	177 Å²	177	144.9 Å²	144.9	83%	0.827	79%	0.794	S	S	*	*			trans	-69.5	90.8	165.8	-75.4	-170	-16.7	0	0	111.2	N6	N6-Q8 PolarHBondContact OD1-N 3.24Å
9	R	25.5	Very low	29.2	Very low	236 Å²	236	143.2 Å²	143.2	89%	0.891	78%	0.782	S	S	*	*			trans	-124.4	72.9	159.2	-155	174.1	-164.3	-179.7	4.3	111.2	C7 S11	C7-R9 PolarHBondContact O-N 3.42Å; R9-S11 PolarHBondContact O-N 3.34Å; R9-S11 VanDerWaalsContact O-N 3.15Å
10	A	24.8	Very low	29.5	Very low	110 Å²	110	138.2 Å²	138.2	91%	0.909	75%	0.752	S	S	*	*			trans	-58.8	117.1	170.4	0	0	0	0	0	110
11	S	26.9	Very low	29.6	Very low	116 Å²	116	136.4 Å²	136.4	81%	0.811	74%	0.743	S	S	*	*			trans	-125.1	144.8	170.9	-169.9	0	0	0	0	109.1	R9	R9-S11 PolarHBondContact O-N 3.34Å; R9-S11 VanDerWaalsContact O-N 3.15Å
12	S	26.6	Very low	30.1	Very low	107 Å²	107	129.2 Å²	129.2	75%	0.748	70%	0.703	S	S	*	*			trans	-98.3	118.5	-159.6	49	0	0	0	0	114
13	K	28.1	Very low	30.2	Very low	206 Å²	206	132.9 Å²	132.9	90%	0.896	70%	0.704	S	S	*	*			trans	-172.9	157.9	136.6	-98.5	148.4	-171.6	-179.1	0	110.3	S15	K13-S15 PolarHBondContact O-N 3.5Å
14	K	28.6	Very low	30.7	Very low	220 Å²	220	130.7 Å²	130.7	96%	0.957	68%	0.682	S	S	*	*			trans	-80.1	101	-174.9	-66.5	176.7	179.8	175.6	0	111.1
15	S	32.9	Very low	31.1	Very low	90 Å²	90	132 Å²	132	63%	0.629	68%	0.68	S	S	*	*			trans	-119.5	154.2	162.9	60.1	0	0	0	0	110.6	K13 A17	K13-S15 PolarHBondContact O-N 3.5Å; S15-A17 PolarHBondContact O-N 3.25Å
16	K	35.2	Very low	31.7	Very low	178 Å²	178	133.4 Å²	133.4	77%	0.774	68%	0.684	S	S	*	*			trans	-85.3	102	178.9	-69.5	177.9	-178.8	172.9	0	109.5
17	A	35.9	Very low	32.4	Very low	67 Å²	67	128.8 Å²	128.8	55%	0.554	66%	0.659	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-77.4	133.1	168.1	0	0	0	0	0	110.4	S15	S15-A17 PolarHBondContact O-N 3.25Å
18	K	38.8	Very low	32.9	Very low	76 Å²	76	126 Å²	126	33%	0.33	64%	0.64	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.4	140.5	169.4	-114	-179	-174.7	117.5	0	109.5	F20 E125 F150	K18-F20 HydrophobicContact CB-CE2 4.07Å; K18-F20 HydrophobicContact CD-CE2 4.37Å; K18-F20 HydrophobicContact CD-CZ 4.1Å; K18-E125 VanDerWaalsContact CD-OE1 3.29Å; K18-E125 WeakPolarHBondContact CD-OE1 3.49Å; K18-E125 WeakPolarHBondContact CE-OE1 3.3Å; K18-E125 IonicContact NZ-OE1 2.61Å; K18-E125 PolarHBondContact NZ-OE1 3.2Å; K18-F150 HydrophobicContact CD-CD2 4.35Å; K18-F150 HydrophobicContact CD-CE2 3.54Å; K18-F150 HydrophobicContact CD-CZ 4.24Å
19	I	36.9	Very low	33.7	Very low	112 Å²	112	124 Å²	124	57%	0.574	64%	0.636	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-118.9	119.4	178.8	-58.7	173.1	0	0	0	107.9	T122	I19-T122 HydrophobicContact CG1-CG2 4.41Å
20	F	36.9	Very low	34.5	Very low	42 Å²	42	116.1 Å²	116.1	18%	0.184	61%	0.613	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.6	117.9	173	-63.1	-94.6	0	0	0	109.8	K18 Y22 L121 F150	K18-F20 HydrophobicContact CB-CE2 4.07Å; K18-F20 HydrophobicContact CD-CE2 4.37Å; K18-F20 HydrophobicContact CD-CZ 4.1Å; F20-Y22 HydrophobicContact CB-CD2 4.23Å; F20-Y22 HydrophobicContact CB-CE2 3.69Å; F20-Y22 HydrophobicContact CD1-CE2 4.48Å; F20-Y22 HydrophobicContact CG-CE2 4.43Å; F20-L121 HydrophobicContact CD2-CB 4.45Å; F20-L121 HydrophobicContact CD2-CD2 4.36Å; F20-L121 PolarHBondContact N-O 2.91Å; F20-L121 VanDerWaalsContact N-O 3.16Å; F20-F150 HydrophobicContact CE1-CD2 4.43Å; F20-F150 AromaticContact CZ-CD2 3.72Å; F20-F150 HydrophobicContact CZ-CD2 3.72Å; F20-F150 HydrophobicContact CZ-CE2 4.29Å; F20-F150 HydrophobicContact CZ-CG 4.32Å
21	N	31.3	Very low	35.3	Very low	102 Å²	102	116.3 Å²	116.3	55%	0.545	60%	0.598	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.4	111.3	173.5	-78.5	-61.4	0	0	0	109.3	R120	N21-R120 PolarHBondContact OD1-NE 3.42Å
22	Y	38.6	Very low	35.8	Very low	90 Å²	90	119 Å²	119	35%	0.353	60%	0.598	S	S	.	*			trans	-98	128.6	176.3	-78.1	-80.8	0	0	0	112.1	F20 T146	F20-Y22 HydrophobicContact CB-CD2 4.23Å; F20-Y22 HydrophobicContact CB-CE2 3.69Å; F20-Y22 HydrophobicContact CD1-CE2 4.48Å; F20-Y22 HydrophobicContact CG-CE2 4.43Å; Y22-T146 HydrophobicContact CE2-CG2 3.87Å; Y22-T146 WeakPolarHBondContact OH-CG2 3.3Å; Y22-T146 PolarHBondContact OH-OG1 3.21Å
23	F	30.4	Very low	36	Very low	211 Å²	211	117.8 Å²	117.8	93%	0.925	59%	0.589	S	S	*	*			trans	-103.7	100	163.2	-100.1	-86.9	0	0	0	108.1
24	C	34.8	Very low	36.4	Very low	53 Å²	53	113 Å²	113	36%	0.358	57%	0.573	S	S	.	*			trans	-97.4	110.7	172.2	-174.8	0	0	0	0	109.7	E26 L27	C24-E26 PolarHBondContact O-N 3.26Å; C24-E26 VanDerWaalsContact O-N 3.16Å; C24-L27 HydrophobicContact CB-CB 4.15Å; C24-L27 HydrophobicContact CB-CD1 4.01Å; C24-L27 HydrophobicContact CB-CG 4.39Å; C24-L27 PolarHBondContact O-N 3.48Å
25	K	37	Very low	36.9	Very low	195 Å²	195	107.2 Å²	107.2	85%	0.848	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	-3.8	-178.5	-123.3	-172.6	-178.3	-171.2	0	114.5	S28	K25-S28 PolarHBondContact O-OG 3.41Å
26	E	39.2	Very low	37.3	Very low	174 Å²	174	110.2 Å²	110.2	81%	0.813	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.4	-3.4	178.8	-60	173.6	157.5	0	0	111.6	C24	C24-E26 PolarHBondContact O-N 3.26Å; C24-E26 VanDerWaalsContact O-N 3.16Å
27	L	41	Very low	37.6	Very low	35 Å²	35	106.4 Å²	106.4	18%	0.183	56%	0.559	C	S	.	*	T	Hydrogen-bonded Turn	trans	-114	-5.5	176.8	-76.4	167.9	0	0	0	113.6	C24 D29 V30 L31 I61 L119	C24-L27 HydrophobicContact CB-CB 4.15Å; C24-L27 HydrophobicContact CB-CD1 4.01Å; C24-L27 HydrophobicContact CB-CG 4.39Å; C24-L27 PolarHBondContact O-N 3.48Å; L27-D29 VanDerWaalsContact C-N 3.33Å; L27-D29 PolarHBondContact O-N 3.39Å; L27-V30 HydrophobicContact CD2-CB 4.44Å; L27-V30 PolarHBondContact O-N 2.92Å; L27-L31 HydrophobicContact CB-CD1 4.49Å; L27-L31 WeakPolarHBondContact O-CB 3.36Å; L27-L31 PolarHBondContact O-N 3.34Å; L27-L31 VanDerWaalsContact O-N 3.09Å; L27-I61 HydrophobicContact CD2-CG2 4.21Å; L27-L119 HydrophobicContact CD1-CD1 3.94Å; L27-L119 HydrophobicContact CD1-CD2 4.45Å
28	S	37.6	Very low	38.1	Very low	48 Å²	48	109.6 Å²	109.6	34%	0.336	57%	0.565	S	S	.	*	H	α-helix	trans	-53.2	-52.4	172	36.2	0	0	0	0	111.2	K25 V30 L31 E32	K25-S28 PolarHBondContact O-OG 3.41Å; S28-V30 PolarHBondContact O-N 3.43Å; S28-L31 PolarHBondContact O-N 3.36Å; S28-E32 PolarHBondContact O-N 3.28Å; S28-E32 VanDerWaalsContact O-N 3.11Å
29	D	41	Very low	38.6	Very low	136 Å²	136	107.8 Å²	107.8	73%	0.727	57%	0.569	S	S	*	*	H	α-helix	trans	-69.3	-8.9	-173.1	-53.8	30.8	0	0	0	112.6	L27	L27-D29 VanDerWaalsContact C-N 3.33Å; L27-D29 PolarHBondContact O-N 3.39Å
30	V	42.3	Very low	39.6	Very low	70 Å²	70	113.9 Å²	113.9	42%	0.424	58%	0.584	S	S	.	*	H	α-helix	trans	-103.7	-27.7	176.3	-174.4	0	0	0	0	111.5	L27 S28 I61	L27-V30 HydrophobicContact CD2-CB 4.44Å; L27-V30 PolarHBondContact O-N 2.92Å; S28-V30 PolarHBondContact O-N 3.43Å; V30-I61 HydrophobicContact CG1-CD1 4.17Å
31	L	40.6	Very low	41	Very low	114 Å²	114	114.9 Å²	114.9	60%	0.597	60%	0.6	S	S	*	*	H	α-helix	trans	-94.5	-5.6	-178.7	-72.9	170.4	0	0	0	114.3	L27 S28 C33 L119	L27-L31 HydrophobicContact CB-CD1 4.49Å; L27-L31 WeakPolarHBondContact O-CB 3.36Å; L27-L31 PolarHBondContact O-N 3.34Å; L27-L31 VanDerWaalsContact O-N 3.09Å; S28-L31 PolarHBondContact O-N 3.36Å; L31-C33 PolarHBondContact O-N 2.8Å; L31-L119 HydrophobicContact CD1-CD1 3.69Å
32	E	37.1	Very low	43.3	Very low	172 Å²	172	111.8 Å²	111.8	80%	0.804	58%	0.584	S	S	*	*			trans	-70.9	17.8	166.9	-72.5	-168.4	164	0	0	114.1	S28 D34	S28-E32 PolarHBondContact O-N 3.28Å; S28-E32 VanDerWaalsContact O-N 3.11Å; E32-D34 PolarHBondContact O-N 2.95Å
33	C	32.6	Very low	45.5	Very low	83 Å²	83	107.5 Å²	107.5	56%	0.561	57%	0.567	S	S	*	*	S	Bend	trans	-72.4	117	165.6	-69.3	0	0	0	0	110.2	L31	L31-C33 PolarHBondContact O-N 2.8Å
34	D	35.5	Very low	48.2	Very low	104 Å²	104	98.5 Å²	98.5	56%	0.556	53%	0.529	S	S	*	.			trans	-43.1	128.2	176.6	-171	-12	0	0	0	111.8	E32 D36 T37	E32-D34 PolarHBondContact O-N 2.95Å; D34-D36 PolarHBondContact O-N 3.46Å; D34-T37 WeakPolarHBondContact O-CA 3.49Å; D34-T37 WeakPolarHBondContact O-CB 3.5Å; D34-T37 PolarHBondContact O-N 2.75Å; D34-T37 PolarHBondContact O-OG1 3.22Å
35	P	40.1	Very low	50.7	Low	99 Å²	99	96 Å²	96	64%	0.643	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-56	-22.6	-173.5	18.1	-33.6	0	0	0	115.8	T37 I38	P35-T37 PolarHBondContact O-N 2.7Å; P35-I38 WeakPolarHBondContact O-CG1 3.36Å
36	D	39.8	Very low	52.9	Low	154 Å²	154	88 Å²	88	82%	0.824	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-72.4	-5.3	172.4	-77.2	-20.8	0	0	0	113.2	D34	D34-D36 PolarHBondContact O-N 3.46Å
37	T	42.3	Very low	55	Low	98 Å²	98	79.8 Å²	79.8	60%	0.601	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-92.6	3	178.9	-28.7	0	0	0	0	113.8	D34 P35 G39	D34-T37 WeakPolarHBondContact O-CA 3.49Å; D34-T37 WeakPolarHBondContact O-CB 3.5Å; D34-T37 PolarHBondContact O-N 2.75Å; D34-T37 PolarHBondContact O-OG1 3.22Å; P35-T37 PolarHBondContact O-N 2.7Å; T37-G39 PolarHBondContact O-N 3.45Å
38	I	46.2	Very low	56.7	Low	133 Å²	133	81.5 Å²	81.5	68%	0.682	47%	0.468	S	S	*	.			trans	-70.8	97	179.4	-60.4	175.5	0	0	0	109.5	P35	P35-I38 WeakPolarHBondContact O-CG1 3.36Å
39	G	50.5	Low	58.6	Low	39 Å²	39	86 Å²	86	40%	0.402	48%	0.484	S	S	.	.			trans	-57.5	136.2	-173.8	0	0	0	0	0	113.7	T37 A41 N55	T37-G39 PolarHBondContact O-N 3.45Å; G39-A41 PolarHBondContact O-N 3.43Å; G39-N55 PolarHBondContact O-ND2 3.5Å
40	R	57.1	Low	60.4	Low	240 Å²	240	83.1 Å²	83.1	91%	0.906	47%	0.468	S	S	*	.			trans	-40.4	129.2	177.6	-165.1	-178.1	-163.3	177.3	4.8	111.6	D42	R40-D42 PolarHBondContact O-N 3.35Å
41	A	66.6	Low	62.4	Low	63 Å²	63	84.9 Å²	84.9	52%	0.521	47%	0.474	S	S	.	.			trans	-53	126.5	-172.4	0	0	0	0	0	113	G39 H53 G54	G39-A41 PolarHBondContact O-N 3.43Å; A41-H53 HydrophobicContact CB-CB 4.18Å; A41-G54 WeakPolarHBondContact CA-O 3.47Å; A41-G54 WeakPolarHBondContact CB-O 3.27Å
42	D	79.2	Confident	64.5	Low	36 Å²	36	81.1 Å²	81.1	19%	0.193	45%	0.452	C	S	.	.			trans	-123.8	-1.1	-172.1	61	0.1	0	0	0	112.3	R40 G54 N55 Q56 S97 V98	R40-D42 PolarHBondContact O-N 3.35Å; D42-G54 PolarHBondContact N-O 2.8Å; D42-N55 VanDerWaalsContact OD1-CA 3.23Å; D42-N55 WeakPolarHBondContact OD1-CA 3.39Å; D42-Q56 PolarHBondContact O-NE2 3.3Å; D42-Q56 WeakPolarHBondContact OD1-CG 3.38Å; D42-Q56 PolarHBondContact OD1-N 2.76Å; D42-S97 VanDerWaalsContact O-CA 3.3Å; D42-S97 WeakPolarHBondContact O-CA 3.46Å; D42-V98 PolarHBondContact O-N 3.25Å
43	V	85.3	Confident	66.6	Low	0 Å²	0	78.4 Å²	78.4	0%	0	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	143.5	169.2	58	0	0	0	0	111.3	F45 H53 G54 Q56 I59 F70 V98 V100	V43-F45 HydrophobicContact CB-CE2 4.45Å; V43-F45 HydrophobicContact CG1-CE2 3.82Å; V43-F45 HydrophobicContact CG1-CZ 4.04Å; V43-F45 HydrophobicContact CG2-CD2 4.37Å; V43-F45 HydrophobicContact CG2-CE1 4.03Å; V43-F45 HydrophobicContact CG2-CE2 3.8Å; V43-F45 HydrophobicContact CG2-CZ 3.62Å; V43-H53 WeakPolarHBondContact O-CA 3.37Å; V43-G54 VanDerWaalsContact CG1-C 3.49Å; V43-G54 WeakPolarHBondContact CG1-O 3.39Å; V43-G54 PolarHBondContact N-O 3.38Å; V43-G54 PolarHBondContact O-N 2.69Å; V43-Q56 HydrophobicContact CB-CG 3.84Å; V43-Q56 HydrophobicContact CG1-CG 4.06Å; V43-I59 HydrophobicContact CG1-CD1 4.16Å; V43-F70 HydrophobicContact CB-CE1 4.39Å; V43-F70 HydrophobicContact CB-CZ 4.48Å; V43-F70 HydrophobicContact CG1-CZ 4.41Å; V43-F70 HydrophobicContact CG2-CE1 3.72Å; V43-F70 HydrophobicContact CG2-CZ 4.03Å; V43-V98 CarbonylContact C-O 3.48Å; V43-V98 WeakPolarHBondContact CA-O 3.3Å; V43-V98 HydrophobicContact CG2-CB 4.49Å; V43-V100 HydrophobicContact CG2-CG2 4.26Å
44	T	85.6	Confident	68.9	Low	23 Å²	23	74.8 Å²	74.8	14%	0.141	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	126.1	176.5	-59.2	0	0	0	0	109.4	I51 Y52 H53 V98 K99 V100	T44-I51 HydrophobicContact CG2-CG2 3.5Å; T44-Y52 CarbonylContact C-O 3.58Å; T44-Y52 VanDerWaalsContact CA-O 3.31Å; T44-Y52 WeakPolarHBondContact CA-O 3.25Å; T44-H53 PolarHBondContact OG1-CE1 3.07Å; T44-H53 PolarHBondContact OG1-ND1 2.99Å; T44-V98 PolarHBondContact N-O 2.71Å; T44-K99 HydrophobicContact CG2-CG 4.26Å; T44-K99 CarbonylContact O-C 3.59Å; T44-K99 VanDerWaalsContact O-CA 3.27Å; T44-K99 WeakPolarHBondContact O-CA 3.27Å; T44-V100 PolarHBondContact O-N 2.92Å
45	F	87.3	Confident	71.1	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	140.8	175.7	-55.7	-87.4	0	0	0	110.1	V43 I51 Y52 I59 L66 F70 V100 I102 F109	V43-F45 HydrophobicContact CB-CE2 4.45Å; V43-F45 HydrophobicContact CG1-CE2 3.82Å; V43-F45 HydrophobicContact CG1-CZ 4.04Å; V43-F45 HydrophobicContact CG2-CD2 4.37Å; V43-F45 HydrophobicContact CG2-CE1 4.03Å; V43-F45 HydrophobicContact CG2-CE2 3.8Å; V43-F45 HydrophobicContact CG2-CZ 3.62Å; F45-I51 WeakPolarHBondContact O-CA 3.42Å; F45-Y52 PolarHBondContact N-O 3.31Å; F45-Y52 PolarHBondContact O-N 3.48Å; F45-I59 HydrophobicContact CE2-CD1 3.55Å; F45-I59 HydrophobicContact CZ-CD1 3.66Å; F45-L66 HydrophobicContact CE1-CD1 4.1Å; F45-L66 HydrophobicContact CE1-CD2 4.08Å; F45-L66 HydrophobicContact CZ-CD1 4.34Å; F45-F70 HydrophobicContact CE1-CZ 4.5Å; F45-F70 HydrophobicContact CZ-CZ 4.13Å; F45-V100 CarbonylContact C-O 3.57Å; F45-V100 VanDerWaalsContact CA-O 3.29Å; F45-V100 WeakPolarHBondContact CA-O 3.44Å; F45-V100 HydrophobicContact CD1-CB 3.88Å; F45-V100 HydrophobicContact CD1-CG1 4.36Å; F45-V100 HydrophobicContact CD1-CG2 4.48Å; F45-V100 HydrophobicContact CE1-CB 4.19Å; F45-V100 HydrophobicContact CE1-CG2 4.35Å; F45-I102 HydrophobicContact CD1-CD1 3.68Å; F45-I102 HydrophobicContact CE1-CD1 4.22Å; F45-F109 HydrophobicContact CB-CE1 3.79Å; F45-F109 HydrophobicContact CB-CZ 3.66Å; F45-F109 HydrophobicContact CD1-CE2 4.34Å; F45-F109 AromaticContact CD1-CZ 3.78Å; F45-F109 HydrophobicContact CD1-CZ 3.78Å; F45-F109 HydrophobicContact CD2-CE1 4.31Å; F45-F109 AromaticContact CD2-CZ 3.89Å; F45-F109 HydrophobicContact CD2-CZ 3.89Å; F45-F109 HydrophobicContact CE1-CZ 4.39Å; F45-F109 HydrophobicContact CE2-CZ 4.49Å; F45-F109 HydrophobicContact CG-CE1 4.04Å; F45-F109 HydrophobicContact CG-CE2 4.45Å; F45-F109 AromaticContact CG-CZ 3.49Å; F45-F109 HydrophobicContact CG-CZ 3.49Å; F45-F109 VanDerWaalsContact CG-CZ 3.49Å
46	V	85.1	Confident	73.2	Confident	27 Å²	27	68 Å²	68	16%	0.164	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	120.4	177.1	-175.9	0	0	0	0	108.2	V100 F101 I102	V46-V100 PolarHBondContact N-O 2.96Å; V46-F101 HydrophobicContact CB-CD1 3.7Å; V46-F101 HydrophobicContact CB-CE1 3.96Å; V46-F101 HydrophobicContact CB-CG 4.22Å; V46-F101 HydrophobicContact CG1-CD1 3.79Å; V46-F101 HydrophobicContact CG1-CE1 3.88Å; V46-F101 HydrophobicContact CG2-CD1 4.25Å; V46-F101 HydrophobicContact CG2-CE1 4.08Å; V46-F101 HydrophobicContact CG2-CZ 4.37Å; V46-F101 WeakPolarHBondContact O-CA 3.48Å; V46-I102 PolarHBondContact O-N 2.84Å
47	V	82.3	Confident	75	Confident	2 Å²	2	68.4 Å²	68.4	1%	0.012	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	95.7	-171.8	-174.9	0	0	0	0	108.6	Q49 N50 Y52 I102 A104 F109	V47-Q49 PolarHBondContact O-N 3.16Å; V47-N50 PolarHBondContact N-O 3.46Å; V47-N50 WeakPolarHBondContact O-CB 3.48Å; V47-N50 PolarHBondContact O-N 3.45Å; V47-Y52 HydrophobicContact CB-CE2 4.29Å; V47-Y52 HydrophobicContact CG2-CD2 4.21Å; V47-Y52 HydrophobicContact CG2-CE2 4.37Å; V47-I102 HydrophobicContact CG2-CB 4.33Å; V47-A104 HydrophobicContact CG1-CB 4.36Å; V47-A104 WeakPolarHBondContact CG1-O 3.42Å; V47-F109 HydrophobicContact CG1-CB 4.14Å; V47-F109 HydrophobicContact CG2-CB 4.18Å; V47-F109 HydrophobicContact CG2-CD1 3.66Å; V47-F109 HydrophobicContact CG2-CD2 4.28Å; V47-F109 HydrophobicContact CG2-CE1 4.13Å; V47-F109 HydrophobicContact CG2-CG 3.74Å
48	G	76.2	Confident	76.8	Confident	71 Å²	71	66 Å²	66	73%	0.732	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	-116.9	-166.2	0	0	0	0	0	110.9
49	Q	78.7	Confident	78.6	Confident	143 Å²	143	59.7 Å²	59.7	67%	0.668	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-7.3	175.5	-61.5	-178.8	4.7	0	0	113.6	V47	V47-Q49 PolarHBondContact O-N 3.16Å
50	N	78.4	Confident	80.3	Confident	74 Å²	74	59.2 Å²	59.2	40%	0.396	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	148	-173.6	-60.1	-73.2	0	0	0	112	V47 Y52 A106	V47-N50 PolarHBondContact N-O 3.46Å; V47-N50 WeakPolarHBondContact O-CB 3.48Å; V47-N50 PolarHBondContact O-N 3.45Å; N50-Y52 HydrophobicContact CB-CE2 3.75Å; N50-A106 WeakPolarHBondContact ND2-CB 3.42Å
51	I	83.3	Confident	81.6	Confident	108 Å²	108	51.9 Å²	51.9	55%	0.554	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.5	126.2	-179.7	-57.8	178.8	0	0	0	108.8	T44 F45	T44-I51 HydrophobicContact CG2-CG2 3.5Å; F45-I51 WeakPolarHBondContact O-CA 3.42Å
52	Y	84.9	Confident	82.4	Confident	34 Å²	34	50.1 Å²	50.1	13%	0.133	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	151.6	177.9	-61.8	-89.1	0	0	0	110.3	T44 F45 V47 N50 F109 E110 L113	T44-Y52 CarbonylContact C-O 3.58Å; T44-Y52 VanDerWaalsContact CA-O 3.31Å; T44-Y52 WeakPolarHBondContact CA-O 3.25Å; F45-Y52 PolarHBondContact N-O 3.31Å; F45-Y52 PolarHBondContact O-N 3.48Å; V47-Y52 HydrophobicContact CB-CE2 4.29Å; V47-Y52 HydrophobicContact CG2-CD2 4.21Å; V47-Y52 HydrophobicContact CG2-CE2 4.37Å; N50-Y52 HydrophobicContact CB-CE2 3.75Å; Y52-F109 AromaticContact CD2-CD1 3.66Å; Y52-F109 HydrophobicContact CD2-CD1 3.66Å; Y52-F109 AromaticContact CD2-CE1 3.81Å; Y52-F109 HydrophobicContact CD2-CE1 3.81Å; Y52-F109 AromaticContact CE2-CD1 3.92Å; Y52-F109 HydrophobicContact CE2-CD1 3.92Å; Y52-F109 HydrophobicContact CG-CD1 4.11Å; Y52-F109 AromaticContact CG-CE1 3.94Å; Y52-F109 HydrophobicContact CG-CE1 3.94Å; Y52-E110 HydrophobicContact CE1-CB 3.92Å; Y52-E110 HydrophobicContact CE1-CG 3.95Å; Y52-E110 VanDerWaalsContact CE1-OE2 3.29Å; Y52-E110 WeakPolarHBondContact CE1-OE2 3.47Å; Y52-E110 PolarHBondContact OH-OE2 3.42Å; Y52-L113 HydrophobicContact CD1-CD2 3.98Å; Y52-L113 HydrophobicContact CG-CD2 4.09Å
53	H	82.8	Confident	82.8	Confident	115 Å²	115	48.4 Å²	48.4	53%	0.532	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	149.9	178.1	-62.8	-64.8	0	0	0	110.9	A41 V43 T44	A41-H53 HydrophobicContact CB-CB 4.18Å; V43-H53 WeakPolarHBondContact O-CA 3.37Å; T44-H53 PolarHBondContact OG1-CE1 3.07Å; T44-H53 PolarHBondContact OG1-ND1 2.99Å
54	G	79.2	Confident	82.9	Confident	8 Å²	8	52.2 Å²	52.2	8%	0.082	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	-173.2	-180	0	0	0	0	0	113.2	A41 D42 V43	A41-G54 WeakPolarHBondContact CA-O 3.47Å; A41-G54 WeakPolarHBondContact CB-O 3.27Å; D42-G54 PolarHBondContact N-O 2.8Å; V43-G54 VanDerWaalsContact CG1-C 3.49Å; V43-G54 WeakPolarHBondContact CG1-O 3.39Å; V43-G54 PolarHBondContact N-O 3.38Å; V43-G54 PolarHBondContact O-N 2.69Å
55	N	81.6	Confident	82.9	Confident	22 Å²	22	51.3 Å²	51.3	12%	0.118	27%	0.273	C	S	.	.			trans	-116.4	124.4	175.4	-174.1	-72.9	0	0	0	109.9	G39 D42 K57 T58 I59	G39-N55 PolarHBondContact O-ND2 3.5Å; D42-N55 VanDerWaalsContact OD1-CA 3.23Å; D42-N55 WeakPolarHBondContact OD1-CA 3.39Å; N55-K57 VanDerWaalsContact C-N 3.29Å; N55-K57 PolarHBondContact O-N 3.17Å; N55-K57 WeakPolarHBondContact OD1-CA 3.4Å; N55-K57 VanDerWaalsContact OD1-CB 3.25Å; N55-K57 WeakPolarHBondContact OD1-CB 3.33Å; N55-K57 PolarHBondContact OD1-N 2.77Å; N55-T58 PolarHBondContact O-N 3.44Å; N55-T58 PolarHBondContact OD1-N 2.97Å; N55-I59 WeakPolarHBondContact O-CG1 3.4Å; N55-I59 PolarHBondContact O-N 2.76Å
56	Q	84.1	Confident	82.8	Confident	39 Å²	39	51.3 Å²	51.3	18%	0.182	27%	0.273	C	S	.	.	H	α-helix	trans	-58.5	-40.2	-177.6	-71.5	175.2	51	0	0	111.7	D42 V43 S60 F70	D42-Q56 PolarHBondContact O-NE2 3.3Å; D42-Q56 WeakPolarHBondContact OD1-CG 3.38Å; D42-Q56 PolarHBondContact OD1-N 2.76Å; V43-Q56 HydrophobicContact CB-CG 3.84Å; V43-Q56 HydrophobicContact CG1-CG 4.06Å; Q56-S60 VanDerWaalsContact O-CB 3.22Å; Q56-S60 WeakPolarHBondContact O-CB 3.2Å; Q56-S60 PolarHBondContact O-N 3.43Å; Q56-S60 PolarHBondContact O-OG 2.9Å; Q56-F70 HydrophobicContact CB-CD2 3.88Å; Q56-F70 HydrophobicContact CB-CE2 4.12Å; Q56-F70 HydrophobicContact CB-CG 4.39Å; Q56-F70 HydrophobicContact CG-CD1 4.29Å; Q56-F70 HydrophobicContact CG-CD2 3.93Å; Q56-F70 HydrophobicContact CG-CE1 4.48Å; Q56-F70 HydrophobicContact CG-CE2 4.14Å; Q56-F70 HydrophobicContact CG-CG 4.03Å; Q56-F70 HydrophobicContact CG-CZ 4.41Å
57	K	79.1	Confident	82.9	Confident	161 Å²	161	52.9 Å²	52.9	70%	0.7	28%	0.278	S	S	*	.	H	α-helix	trans	-65.4	-45	179.5	-170.2	-172.2	176.5	-168.4	0	111.2	N55 I61	N55-K57 VanDerWaalsContact C-N 3.29Å; N55-K57 PolarHBondContact O-N 3.17Å; N55-K57 WeakPolarHBondContact OD1-CA 3.4Å; N55-K57 VanDerWaalsContact OD1-CB 3.25Å; N55-K57 WeakPolarHBondContact OD1-CB 3.33Å; N55-K57 PolarHBondContact OD1-N 2.77Å; K57-I61 WeakPolarHBondContact O-CG1 3.43Å
58	T	78.9	Confident	83	Confident	49 Å²	49	56.7 Å²	56.7	30%	0.301	29%	0.294	S	S	.	.	H	α-helix	trans	-63.7	-47.8	177.7	-52.7	0	0	0	0	111.6	N55 S60 I61 L117	N55-T58 PolarHBondContact O-N 3.44Å; N55-T58 PolarHBondContact OD1-N 2.97Å; T58-S60 PolarHBondContact O-N 3.24Å; T58-I61 WeakPolarHBondContact O-CB 3.42Å; T58-I61 PolarHBondContact O-N 3.39Å; T58-L117 HydrophobicContact CG2-CD2 4.26Å
59	I	85.3	Confident	83.2	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-69.6	-34.6	-175.4	-69.2	173.8	0	0	0	111.8	V43 F45 N55 I61 L62 S63 L66 F70 L113 M116	V43-I59 HydrophobicContact CG1-CD1 4.16Å; F45-I59 HydrophobicContact CE2-CD1 3.55Å; F45-I59 HydrophobicContact CZ-CD1 3.66Å; N55-I59 WeakPolarHBondContact O-CG1 3.4Å; N55-I59 PolarHBondContact O-N 2.76Å; I59-I61 PolarHBondContact O-N 3.24Å; I59-L62 PolarHBondContact O-N 3.07Å; I59-S63 PolarHBondContact O-N 3.49Å; I59-L66 HydrophobicContact CG2-CB 4.09Å; I59-L66 HydrophobicContact CG2-CD1 3.56Å; I59-L66 HydrophobicContact CG2-CG 4.48Å; I59-F70 HydrophobicContact CB-CE2 4.27Å; I59-F70 HydrophobicContact CG2-CE2 3.99Å; I59-F70 HydrophobicContact CG2-CZ 4.11Å; I59-L113 HydrophobicContact CD1-CD1 3.93Å; I59-M116 HydrophobicContact CG2-CE 4.23Å; I59-M116 HydrophobicContact CG2-SD 3.96Å
60	S	85.6	Confident	83.5	Confident	29 Å²	29	47.1 Å²	47.1	20%	0.203	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-13	177.2	-60.6	0	0	0	0	114.7	Q56 T58 L62 F70	Q56-S60 VanDerWaalsContact O-CB 3.22Å; Q56-S60 WeakPolarHBondContact O-CB 3.2Å; Q56-S60 PolarHBondContact O-N 3.43Å; Q56-S60 PolarHBondContact O-OG 2.9Å; T58-S60 PolarHBondContact O-N 3.24Å; S60-L62 VanDerWaalsContact C-N 3.32Å; S60-F70 WeakPolarHBondContact OG-CD2 3.16Å
61	I	83.9	Confident	83.4	Confident	86 Å²	86	49.9 Å²	49.9	44%	0.441	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-28.1	175.4	-65.7	163.6	0	0	0	110.9	L27 V30 K57 T58 I59	L27-I61 HydrophobicContact CD2-CG2 4.21Å; V30-I61 HydrophobicContact CG1-CD1 4.17Å; K57-I61 WeakPolarHBondContact O-CG1 3.43Å; T58-I61 WeakPolarHBondContact O-CB 3.42Å; T58-I61 PolarHBondContact O-N 3.39Å; I59-I61 PolarHBondContact O-N 3.24Å
62	L	83.7	Confident	82.8	Confident	25 Å²	25	46.1 Å²	46.1	13%	0.131	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-25.8	-170.2	-65.8	169.9	0	0	0	113.9	I59 S60 M116 L119 I140	I59-L62 PolarHBondContact O-N 3.07Å; S60-L62 VanDerWaalsContact C-N 3.32Å; L62-M116 HydrophobicContact CB-CG 4.29Å; L62-M116 HydrophobicContact CD1-CB 4.25Å; L62-M116 HydrophobicContact CD1-CG 4.32Å; L62-L119 HydrophobicContact CD1-CD2 3.81Å; L62-L119 HydrophobicContact CD2-CD2 4.33Å; L62-I140 HydrophobicContact CB-CG2 4.43Å; L62-I140 WeakPolarHBondContact O-CA 3.43Å
63	S	88.6	Confident	81.4	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.26	C	S	.	.			trans	-115.6	107.3	177.4	176.2	0	0	0	0	111.6	I59 E65 L66 K67 L138	I59-S63 PolarHBondContact O-N 3.49Å; S63-E65 VanDerWaalsContact C-N 3.33Å; S63-L66 WeakPolarHBondContact OG-CB 3.41Å; S63-L66 WeakPolarHBondContact OG-CG 3.42Å; S63-L66 PolarHBondContact OG-N 2.91Å; S63-L66 VanDerWaalsContact OG-N 3.12Å; S63-K67 VanDerWaalsContact O-CB 3.25Å; S63-K67 WeakPolarHBondContact O-CB 3.3Å; S63-K67 PolarHBondContact O-N 2.78Å; S63-L138 WeakPolarHBondContact CB-O 3.24Å; S63-L138 PolarHBondContact OG-O 2.84Å
64	E	85.5	Confident	79.9	Confident	80 Å²	80	51.5 Å²	51.5	37%	0.374	26%	0.259	S	S	.	.	H	α-helix	trans	-67.7	-31.2	174.5	-72.8	-66.5	143.2	0	0	112.4	K67 K68 Q139	E64-K67 IonicContact OE1-NZ 2.65Å; E64-K67 PolarHBondContact OE1-NZ 3.2Å; E64-K67 WeakPolarHBondContact OE2-CD 3.31Å; E64-K67 IonicContact OE2-NZ 2.73Å; E64-K67 PolarHBondContact OE2-NZ 3.07Å; E64-K68 VanDerWaalsContact O-CE 3.26Å; E64-K68 WeakPolarHBondContact O-CE 3.39Å; E64-K68 WeakPolarHBondContact O-CG 3.31Å; E64-K68 PolarHBondContact O-N 3.08Å; E64-K68 VanDerWaalsContact O-N 3.09Å; E64-Q139 HydrophobicContact CB-CB 4.3Å
65	E	85.5	Confident	78.3	Confident	4 Å²	4	53.7 Å²	53.7	2%	0.019	28%	0.282	C	S	.	.	H	α-helix	trans	-72.9	-39.6	178	-163.4	76.8	155.3	0	0	111.9	S63 K68 C69 T82 I86 Q139	S63-E65 VanDerWaalsContact C-N 3.33Å; E65-K68 PolarHBondContact O-N 2.91Å; E65-K68 IonicContact OE2-NZ 2.69Å; E65-K68 PolarHBondContact OE2-NZ 2.8Å; E65-C69 WeakPolarHBondContact O-CB 3.27Å; E65-C69 PolarHBondContact O-N 3.39Å; E65-T82 WeakPolarHBondContact OE1-CB 3.38Å; E65-T82 PolarHBondContact OE1-N 3.43Å; E65-T82 PolarHBondContact OE1-OG1 3.19Å; E65-I86 HydrophobicContact CG-CD1 4.29Å; E65-Q139 HydrophobicContact CB-CB 4.45Å; E65-Q139 HydrophobicContact CB-CG 4.31Å; E65-Q139 VanDerWaalsContact CD-NE2 3.29Å; E65-Q139 PolarHBondContact OE2-NE2 2.76Å; E65-Q139 PolarHBondContact OE2-OE1 3.46Å
66	L	86.7	Confident	76.7	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-69.5	-37.2	174.1	-68.4	175.6	0	0	0	111.8	F45 I59 S63 K68 C69 F70 I86 V100 M116 L138	F45-L66 HydrophobicContact CE1-CD1 4.1Å; F45-L66 HydrophobicContact CE1-CD2 4.08Å; F45-L66 HydrophobicContact CZ-CD1 4.34Å; I59-L66 HydrophobicContact CG2-CB 4.09Å; I59-L66 HydrophobicContact CG2-CD1 3.56Å; I59-L66 HydrophobicContact CG2-CG 4.48Å; S63-L66 WeakPolarHBondContact OG-CB 3.41Å; S63-L66 WeakPolarHBondContact OG-CG 3.42Å; S63-L66 PolarHBondContact OG-N 2.91Å; S63-L66 VanDerWaalsContact OG-N 3.12Å; L66-K68 PolarHBondContact O-N 3.3Å; L66-C69 CarbonylContact O-C 3.48Å; L66-C69 WeakPolarHBondContact O-CB 3.39Å; L66-C69 PolarHBondContact O-N 2.99Å; L66-C69 VanDerWaalsContact O-N 3.15Å; L66-F70 HydrophobicContact CB-CE1 4.47Å; L66-F70 HydrophobicContact CB-CE2 4.05Å; L66-F70 HydrophobicContact CB-CZ 3.89Å; L66-F70 WeakPolarHBondContact O-CD1 3.35Å; L66-F70 VanDerWaalsContact O-CD2 3.28Å; L66-F70 WeakPolarHBondContact O-CD2 3.31Å; L66-F70 WeakPolarHBondContact O-CG 3.45Å; L66-F70 PolarHBondContact O-N 2.76Å; L66-I86 HydrophobicContact CD2-CD1 3.94Å; L66-V100 HydrophobicContact CD2-CG1 4.45Å; L66-M116 HydrophobicContact CD1-CE 4.35Å; L66-L138 HydrophobicContact CD1-CD1 4.47Å; L66-L138 HydrophobicContact CD1-CD2 4.32Å; L66-L138 HydrophobicContact CD2-CD2 4.18Å; L66-L138 HydrophobicContact CG-CD2 4.08Å
67	K	86.4	Confident	75	Confident	61 Å²	61	61 Å²	61	27%	0.265	33%	0.325	S	S	.	.	H	α-helix	trans	-55.9	-45.4	171.2	176.2	-177.4	169.3	-159	0	112.2	S63 E64 F70 Q71	S63-K67 VanDerWaalsContact O-CB 3.25Å; S63-K67 WeakPolarHBondContact O-CB 3.3Å; S63-K67 PolarHBondContact O-N 2.78Å; E64-K67 IonicContact OE1-NZ 2.65Å; E64-K67 PolarHBondContact OE1-NZ 3.2Å; E64-K67 WeakPolarHBondContact OE2-CD 3.31Å; E64-K67 IonicContact OE2-NZ 2.73Å; E64-K67 PolarHBondContact OE2-NZ 3.07Å; K67-F70 PolarHBondContact O-N 3.47Å; K67-Q71 WeakPolarHBondContact O-CB 3.35Å; K67-Q71 VanDerWaalsContact O-CG 3.24Å; K67-Q71 WeakPolarHBondContact O-CG 3.33Å; K67-Q71 PolarHBondContact O-N 2.84Å; K67-Q71 VanDerWaalsContact O-N 3.09Å
68	K	83.7	Confident	73.7	Confident	81 Å²	81	59.1 Å²	59.1	35%	0.352	32%	0.323	S	S	.	.	H	α-helix	trans	-61.8	-45.7	171.9	-72	171.7	-123.6	159.6	0	112.2	E64 E65 L66 F70 Q71 S72 Y79	E64-K68 VanDerWaalsContact O-CE 3.26Å; E64-K68 WeakPolarHBondContact O-CE 3.39Å; E64-K68 WeakPolarHBondContact O-CG 3.31Å; E64-K68 PolarHBondContact O-N 3.08Å; E64-K68 VanDerWaalsContact O-N 3.09Å; E65-K68 PolarHBondContact O-N 2.91Å; E65-K68 IonicContact OE2-NZ 2.69Å; E65-K68 PolarHBondContact OE2-NZ 2.8Å; L66-K68 PolarHBondContact O-N 3.3Å; K68-F70 VanDerWaalsContact C-N 3.32Å; K68-F70 PolarHBondContact O-N 3.49Å; K68-Q71 PolarHBondContact O-N 3.24Å; K68-Q71 VanDerWaalsContact O-N 3.12Å; K68-S72 PolarHBondContact O-N 2.96Å; K68-Y79 WeakPolarHBondContact CB-OH 3.17Å
69	C	81.7	Confident	72.6	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-60.2	-35.9	177	165.2	0	0	0	0	113.4	E65 L66 S72 Y79 I86 V89	E65-C69 WeakPolarHBondContact O-CB 3.27Å; E65-C69 PolarHBondContact O-N 3.39Å; L66-C69 CarbonylContact O-C 3.48Å; L66-C69 WeakPolarHBondContact O-CB 3.39Å; L66-C69 PolarHBondContact O-N 2.99Å; L66-C69 VanDerWaalsContact O-N 3.15Å; C69-S72 PolarHBondContact O-OG 3.24Å; C69-S72 VanDerWaalsContact O-OG 3.11Å; C69-Y79 HydrophobicContact CB-CE1 4.13Å; C69-Y79 HydrophobicContact CB-CE2 4.26Å; C69-Y79 PolarHBondContact N-OH 2.94Å; C69-I86 HydrophobicContact CB-CD1 4.4Å; C69-V89 WeakPolarHBondContact SG-CG2 3.43Å
70	F	84	Confident	71	Confident	13 Å²	13	65.1 Å²	65.1	6%	0.057	36%	0.355	C	S	.	.	H	α-helix	trans	-73.7	-34.6	174.5	-55.4	-27.7	0	0	0	111.4	V43 F45 Q56 I59 S60 L66 K67 K68 K91 V98 V100	V43-F70 HydrophobicContact CB-CE1 4.39Å; V43-F70 HydrophobicContact CB-CZ 4.48Å; V43-F70 HydrophobicContact CG1-CZ 4.41Å; V43-F70 HydrophobicContact CG2-CE1 3.72Å; V43-F70 HydrophobicContact CG2-CZ 4.03Å; F45-F70 HydrophobicContact CE1-CZ 4.5Å; F45-F70 HydrophobicContact CZ-CZ 4.13Å; Q56-F70 HydrophobicContact CB-CD2 3.88Å; Q56-F70 HydrophobicContact CB-CE2 4.12Å; Q56-F70 HydrophobicContact CB-CG 4.39Å; Q56-F70 HydrophobicContact CG-CD1 4.29Å; Q56-F70 HydrophobicContact CG-CD2 3.93Å; Q56-F70 HydrophobicContact CG-CE1 4.48Å; Q56-F70 HydrophobicContact CG-CE2 4.14Å; Q56-F70 HydrophobicContact CG-CG 4.03Å; Q56-F70 HydrophobicContact CG-CZ 4.41Å; I59-F70 HydrophobicContact CB-CE2 4.27Å; I59-F70 HydrophobicContact CG2-CE2 3.99Å; I59-F70 HydrophobicContact CG2-CZ 4.11Å; S60-F70 WeakPolarHBondContact OG-CD2 3.16Å; L66-F70 HydrophobicContact CB-CE1 4.47Å; L66-F70 HydrophobicContact CB-CE2 4.05Å; L66-F70 HydrophobicContact CB-CZ 3.89Å; L66-F70 WeakPolarHBondContact O-CD1 3.35Å; L66-F70 VanDerWaalsContact O-CD2 3.28Å; L66-F70 WeakPolarHBondContact O-CD2 3.31Å; L66-F70 WeakPolarHBondContact O-CG 3.45Å; L66-F70 PolarHBondContact O-N 2.76Å; K67-F70 PolarHBondContact O-N 3.47Å; K68-F70 VanDerWaalsContact C-N 3.32Å; K68-F70 PolarHBondContact O-N 3.49Å; F70-K91 PolarHBondContact O-NZ 3.04Å; F70-V98 HydrophobicContact CD1-CG1 4.46Å; F70-V100 HydrophobicContact CE1-CG2 4.13Å
71	Q	77.7	Confident	69.8	Low	132 Å²	132	64.3 Å²	64.3	62%	0.617	35%	0.349	S	S	*	.	H	α-helix	trans	-78.2	-22.9	-179.4	-71.6	172.8	-3.9	0	0	114.7	K67 K68 E73	K67-Q71 WeakPolarHBondContact O-CB 3.35Å; K67-Q71 VanDerWaalsContact O-CG 3.24Å; K67-Q71 WeakPolarHBondContact O-CG 3.33Å; K67-Q71 PolarHBondContact O-N 2.84Å; K67-Q71 VanDerWaalsContact O-N 3.09Å; K68-Q71 PolarHBondContact O-N 3.24Å; K68-Q71 VanDerWaalsContact O-N 3.12Å; Q71-E73 PolarHBondContact O-N 3.43Å
72	S	70.4	Confident	68.4	Low	29 Å²	29	63.9 Å²	63.9	20%	0.203	35%	0.351	C	S	.	.			trans	-65.5	118.7	-178.2	59.1	0	0	0	0	112.8	K68 C69 S74 K91	K68-S72 PolarHBondContact O-N 2.96Å; C69-S72 PolarHBondContact O-OG 3.24Å; C69-S72 VanDerWaalsContact O-OG 3.11Å; S72-S74 PolarHBondContact O-N 3.18Å; S72-K91 PolarHBondContact O-NZ 2.94Å
73	E	54.8	Low	67.3	Low	190 Å²	190	66.7 Å²	66.7	89%	0.888	36%	0.363	S	S	*	.			trans	-80.7	-8.6	-173.4	-60.6	-171	134.2	0	0	114.8	Q71 G75	Q71-E73 PolarHBondContact O-N 3.43Å; E73-G75 PolarHBondContact O-N 3.46Å
74	S	50.7	Low	66.2	Low	72 Å²	72	69 Å²	69	50%	0.503	39%	0.387	S	S	.	.			trans	-73.9	120.3	179.6	52.6	0	0	0	0	112.9	S72	S72-S74 PolarHBondContact O-N 3.18Å
75	G	46.3	Very low	65.5	Low	55 Å²	55	65.4 Å²	65.4	57%	0.567	37%	0.37	S	S	*	.	S	Bend	trans	-81.4	143.3	168.9	0	0	0	0	0	112.9	E73 V77	E73-G75 PolarHBondContact O-N 3.46Å; G75-V77 PolarHBondContact O-N 2.86Å
76	D	48	Very low	65.2	Low	114 Å²	114	65.4 Å²	65.4	61%	0.61	37%	0.371	S	S	*	.	S	Bend	trans	53.7	11.2	172.1	-91	-54.8	0	0	0	118.9	K88	D76-K88 WeakPolarHBondContact OD1-CE 3.46Å; D76-K88 IonicContact OD1-NZ 3.42Å; D76-K88 PolarHBondContact OD1-NZ 2.78Å
77	V	48.1	Very low	64.4	Low	99 Å²	99	70.2 Å²	70.2	60%	0.6	40%	0.396	S	S	*	.	S	Bend	trans	-85.8	140.2	168.4	-176.3	0	0	0	0	110.3	G75 Y79	G75-V77 PolarHBondContact O-N 2.86Å; V77-Y79 PolarHBondContact O-N 2.65Å
78	D	52.2	Low	64	Low	122 Å²	122	70.7 Å²	70.7	65%	0.652	40%	0.398	S	S	*	.			trans	-58.7	108.9	176.8	-65.2	-43.4	0	0	0	111.5	T80	D78-T80 PolarHBondContact O-N 3.26Å
79	Y	55.9	Low	63.8	Low	45 Å²	45	67.4 Å²	67.4	18%	0.176	39%	0.385	C	S	.	.			trans	-74.8	94	177.3	-175.7	-90.9	0	0	0	109.8	K68 C69 V77 S81 I86 V89	K68-Y79 WeakPolarHBondContact CB-OH 3.17Å; C69-Y79 HydrophobicContact CB-CE1 4.13Å; C69-Y79 HydrophobicContact CB-CE2 4.26Å; C69-Y79 PolarHBondContact N-OH 2.94Å; V77-Y79 PolarHBondContact O-N 2.65Å; Y79-S81 VanDerWaalsContact C-N 3.32Å; Y79-S81 PolarHBondContact O-N 2.91Å; Y79-I86 HydrophobicContact CD1-CB 4.31Å; Y79-I86 HydrophobicContact CD1-CD1 4.37Å; Y79-I86 HydrophobicContact CD1-CG2 4.07Å; Y79-I86 HydrophobicContact CE1-CD1 4.02Å; Y79-V89 HydrophobicContact CD1-CG2 4.38Å; Y79-V89 HydrophobicContact CG-CG2 4.04Å
80	T	52.7	Low	63.7	Low	131 Å²	131	69.2 Å²	69.2	80%	0.804	40%	0.396	S	S	*	.			trans	-70.3	86.6	175.1	56.7	0	0	0	0	110.5	D78	D78-T80 PolarHBondContact O-N 3.26Å
81	S	58.4	Low	63.2	Low	11 Å²	11	72.4 Å²	72.4	8%	0.077	41%	0.41	C	S	.	.			trans	-61.8	146.7	171.5	55	0	0	0	0	111.5	Y79 H83 G84 C85 I86	Y79-S81 VanDerWaalsContact C-N 3.32Å; Y79-S81 PolarHBondContact O-N 2.91Å; S81-H83 PolarHBondContact O-N 2.79Å; S81-G84 PolarHBondContact O-N 2.89Å; S81-G84 VanDerWaalsContact O-N 3.07Å; S81-G84 VanDerWaalsContact OG-C 3.32Å; S81-G84 WeakPolarHBondContact OG-CA 3.45Å; S81-G84 PolarHBondContact OG-N 3.08Å; S81-C85 PolarHBondContact OG-N 2.93Å; S81-I86 PolarHBondContact OG-N 2.89Å; S81-I86 PolarHBondContact OG-O 3.43Å
82	T	55.5	Low	62.6	Low	77 Å²	77	68.5 Å²	68.5	47%	0.472	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-20.7	-173.5	43.5	0	0	0	0	115	E65 Q139	E65-T82 WeakPolarHBondContact OE1-CB 3.38Å; E65-T82 PolarHBondContact OE1-N 3.43Å; E65-T82 PolarHBondContact OE1-OG1 3.19Å; T82-Q139 PolarHBondContact OG1-NE2 3.26Å
83	H	59.5	Low	62	Low	84 Å²	84	77.8 Å²	77.8	39%	0.389	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.4	22.8	177.5	-61.5	-58.2	0	0	0	113	S81 C85 C137	S81-H83 PolarHBondContact O-N 2.79Å; H83-C85 PolarHBondContact O-N 3Å; H83-C137 HydrophobicContact CB-CB 3.99Å; H83-C137 VanDerWaalsContact CB-SG 3.56Å
84	G	65.6	Low	62.1	Low	48 Å²	48	74.4 Å²	74.4	50%	0.495	43%	0.431	S	S	.	.	S	Bend	trans	69.3	-10.6	172.7	0	0	0	0	0	117.5	S81 I86	S81-G84 PolarHBondContact O-N 2.89Å; S81-G84 VanDerWaalsContact O-N 3.07Å; S81-G84 VanDerWaalsContact OG-C 3.32Å; S81-G84 WeakPolarHBondContact OG-CA 3.45Å; S81-G84 PolarHBondContact OG-N 3.08Å; G84-I86 VanDerWaalsContact C-N 3.27Å; G84-I86 PolarHBondContact O-N 2.98Å
85	C	72.7	Confident	62.5	Low	5 Å²	5	73.6 Å²	73.6	3%	0.034	43%	0.425	C	S	.	.			trans	-65.7	-22.2	-173.6	76.6	0	0	0	0	115	S81 H83 I102 D103 C137	S81-C85 PolarHBondContact OG-N 2.93Å; H83-C85 PolarHBondContact O-N 3Å; C85-I102 CarbonylContact O-C 3.57Å; C85-I102 VanDerWaalsContact O-CA 3.29Å; C85-I102 WeakPolarHBondContact O-CA 3.27Å; C85-D103 PolarHBondContact O-N 3.49Å; C85-C137 HydrophobicContact CB-CB 3.83Å; C85-C137 WeakPolarHBondContact SG-CB 3.3Å
86	I	77.5	Confident	63.4	Low	5 Å²	5	76.3 Å²	76.3	3%	0.026	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	113.2	171.9	-58.2	171.1	0	0	0	107.3	E65 L66 C69 Y79 S81 G84 V89 V100 I102	E65-I86 HydrophobicContact CG-CD1 4.29Å; L66-I86 HydrophobicContact CD2-CD1 3.94Å; C69-I86 HydrophobicContact CB-CD1 4.4Å; Y79-I86 HydrophobicContact CD1-CB 4.31Å; Y79-I86 HydrophobicContact CD1-CD1 4.37Å; Y79-I86 HydrophobicContact CD1-CG2 4.07Å; Y79-I86 HydrophobicContact CE1-CD1 4.02Å; S81-I86 PolarHBondContact OG-N 2.89Å; S81-I86 PolarHBondContact OG-O 3.43Å; G84-I86 VanDerWaalsContact C-N 3.27Å; G84-I86 PolarHBondContact O-N 2.98Å; I86-V89 HydrophobicContact CG2-CG2 3.89Å; I86-V100 HydrophobicContact CG2-CG1 3.77Å; I86-I102 HydrophobicContact CG1-CG1 4.45Å
87	L	71	Confident	64.4	Low	101 Å²	101	72.8 Å²	72.8	53%	0.529	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	-40.5	-175.1	-65.4	174.9	0	0	0	112.8	F101 D103	L87-F101 HydrophobicContact CB-CB 4.16Å; L87-F101 PolarHBondContact N-O 2.93Å; L87-D103 HydrophobicContact CD1-CB 3.96Å; L87-D103 HydrophobicContact CD2-CB 4Å; L87-D103 HydrophobicContact CG-CB 3.93Å
88	K	77.8	Confident	66.1	Low	71 Å²	71	68.4 Å²	68.4	31%	0.309	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	153.2	179.8	-176.4	159.9	-175	169.9	0	110.7	D76 T90 F101	D76-K88 WeakPolarHBondContact OD1-CE 3.46Å; D76-K88 IonicContact OD1-NZ 3.42Å; D76-K88 PolarHBondContact OD1-NZ 2.78Å; K88-T90 HydrophobicContact CD-CG2 4.28Å; K88-T90 VanDerWaalsContact CE-CG2 3.49Å; K88-T90 HydrophobicContact CG-CG2 4.31Å; K88-F101 HydrophobicContact CB-CB 4.25Å; K88-F101 HydrophobicContact CB-CD2 3.88Å; K88-F101 HydrophobicContact CB-CG 4.26Å; K88-F101 HydrophobicContact CG-CD2 4.31Å; K88-F101 PolarHBondContact O-N 2.64Å
89	V	79.3	Confident	67.6	Low	12 Å²	12	67.8 Å²	67.8	7%	0.073	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	135.8	170.6	-174.3	0	0	0	0	108.2	C69 Y79 I86 V98 K99	C69-V89 WeakPolarHBondContact SG-CG2 3.43Å; Y79-V89 HydrophobicContact CD1-CG2 4.38Å; Y79-V89 HydrophobicContact CG-CG2 4.04Å; I86-V89 HydrophobicContact CG2-CG2 3.89Å; V89-V98 HydrophobicContact CG1-CG1 3.9Å; V89-K99 CarbonylContact C-O 3.57Å; V89-K99 WeakPolarHBondContact CA-O 3.3Å
90	T	80.1	Confident	69	Low	38 Å²	38	65.7 Å²	65.7	23%	0.233	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	134.6	171.3	53.1	0	0	0	0	110.9	K88 K99	K88-T90 HydrophobicContact CD-CG2 4.28Å; K88-T90 VanDerWaalsContact CE-CG2 3.49Å; K88-T90 HydrophobicContact CG-CG2 4.31Å; T90-K99 PolarHBondContact N-O 2.86Å; T90-K99 PolarHBondContact O-N 2.96Å; T90-K99 WeakPolarHBondContact OG1-CB 3.37Å
91	K	72.9	Confident	70.6	Confident	80 Å²	80	62.8 Å²	62.8	35%	0.348	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	131.8	177.7	-67.5	-172.2	167.9	-178.3	0	109.1	F70 S72 V98	F70-K91 PolarHBondContact O-NZ 3.04Å; S72-K91 PolarHBondContact O-NZ 2.94Å; K91-V98 HydrophobicContact CG-CG1 4.27Å; K91-V98 HydrophobicContact CG-CG2 4.22Å
92	S	65.4	Low	71.7	Confident	50 Å²	50	62.4 Å²	62.4	35%	0.35	35%	0.35	S	S	.	.			trans	-73.2	140.5	176.4	175.6	0	0	0	0	110.9	S94 S95 S97	S92-S94 PolarHBondContact OG-N 2.79Å; S92-S94 PolarHBondContact OG-OG 3.24Å; S92-S95 WeakPolarHBondContact CB-O 3.29Å; S92-S95 WeakPolarHBondContact CB-OG 3.24Å; S92-S95 PolarHBondContact OG-N 3.49Å; S92-S95 PolarHBondContact OG-OG 2.92Å; S92-S97 PolarHBondContact N-O 3.14Å
93	K	58.5	Low	73	Confident	224 Å²	224	64.1 Å²	64.1	97%	0.974	36%	0.356	S	S	*	.	S	Bend	trans	-79	-19.3	172.7	-68.5	-179.1	180	175	0	112.9
94	S	56.2	Low	74	Confident	118 Å²	118	61.5 Å²	61.5	83%	0.825	35%	0.349	S	S	*	.	S	Bend	trans	-112.5	-5	-173	56.4	0	0	0	0	114.3	S92	S92-S94 PolarHBondContact OG-N 2.79Å; S92-S94 PolarHBondContact OG-OG 3.24Å
95	S	58.5	Low	74.7	Confident	56 Å²	56	60.3 Å²	60.3	39%	0.392	33%	0.333	S	S	.	.	S	Bend	trans	-146.8	146.3	178.6	54.6	0	0	0	0	110.4	S92 S97	S92-S95 WeakPolarHBondContact CB-O 3.29Å; S92-S95 WeakPolarHBondContact CB-OG 3.24Å; S92-S95 PolarHBondContact OG-N 3.49Å; S92-S95 PolarHBondContact OG-OG 2.92Å; S95-S97 PolarHBondContact O-N 2.85Å; S95-S97 PolarHBondContact OG-OG 2.99Å
96	S	65	Low	75.2	Confident	111 Å²	111	61.2 Å²	61.2	78%	0.776	34%	0.341	S	S	*	.	S	Bend	trans	-71.8	25.8	178.3	61.7	0	0	0	0	114.1
97	S	70.4	Confident	75.6	Confident	41 Å²	41	66.1 Å²	66.1	29%	0.287	37%	0.368	S	S	.	.			trans	-102.1	125.2	-170.8	59.5	0	0	0	0	111.6	D42 S92 S95	D42-S97 VanDerWaalsContact O-CA 3.3Å; D42-S97 WeakPolarHBondContact O-CA 3.46Å; S92-S97 PolarHBondContact N-O 3.14Å; S95-S97 PolarHBondContact O-N 2.85Å; S95-S97 PolarHBondContact OG-OG 2.99Å
98	V	83	Confident	76.3	Confident	7 Å²	7	61.5 Å²	61.5	4%	0.042	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	139.1	176.9	-173.1	0	0	0	0	110.3	D42 V43 T44 F70 V89 K91 V100	D42-V98 PolarHBondContact O-N 3.25Å; V43-V98 CarbonylContact C-O 3.48Å; V43-V98 WeakPolarHBondContact CA-O 3.3Å; V43-V98 HydrophobicContact CG2-CB 4.49Å; T44-V98 PolarHBondContact N-O 2.71Å; F70-V98 HydrophobicContact CD1-CG1 4.46Å; V89-V98 HydrophobicContact CG1-CG1 3.9Å; K91-V98 HydrophobicContact CG-CG1 4.27Å; K91-V98 HydrophobicContact CG-CG2 4.22Å; V98-V100 HydrophobicContact CG1-CG2 3.97Å
99	K	84.2	Confident	76.9	Confident	109 Å²	109	58.1 Å²	58.1	47%	0.474	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	131.6	167.2	-89.3	179.3	177.7	-177.7	0	109.9	T44 V89 T90	T44-K99 HydrophobicContact CG2-CG 4.26Å; T44-K99 CarbonylContact O-C 3.59Å; T44-K99 VanDerWaalsContact O-CA 3.27Å; T44-K99 WeakPolarHBondContact O-CA 3.27Å; V89-K99 CarbonylContact C-O 3.57Å; V89-K99 WeakPolarHBondContact CA-O 3.3Å; T90-K99 PolarHBondContact N-O 2.86Å; T90-K99 PolarHBondContact O-N 2.96Å; T90-K99 WeakPolarHBondContact OG1-CB 3.37Å
100	V	85.5	Confident	77.3	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	128.5	179.7	-173	0	0	0	0	109.1	V43 T44 F45 V46 L66 F70 I86 V98 I102	V43-V100 HydrophobicContact CG2-CG2 4.26Å; T44-V100 PolarHBondContact O-N 2.92Å; F45-V100 CarbonylContact C-O 3.57Å; F45-V100 VanDerWaalsContact CA-O 3.29Å; F45-V100 WeakPolarHBondContact CA-O 3.44Å; F45-V100 HydrophobicContact CD1-CB 3.88Å; F45-V100 HydrophobicContact CD1-CG1 4.36Å; F45-V100 HydrophobicContact CD1-CG2 4.48Å; F45-V100 HydrophobicContact CE1-CB 4.19Å; F45-V100 HydrophobicContact CE1-CG2 4.35Å; V46-V100 PolarHBondContact N-O 2.96Å; L66-V100 HydrophobicContact CD2-CG1 4.45Å; F70-V100 HydrophobicContact CE1-CG2 4.13Å; I86-V100 HydrophobicContact CG2-CG1 3.77Å; V98-V100 HydrophobicContact CG1-CG2 3.97Å; V100-I102 HydrophobicContact CG1-CD1 4.21Å; V100-I102 HydrophobicContact CG1-CG1 3.98Å
101	F	85.9	Confident	77.6	Confident	70 Å²	70	59.7 Å²	59.7	31%	0.307	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	126.2	178.2	-64.3	-104.5	0	0	0	108.7	V46 L87 K88	V46-F101 HydrophobicContact CB-CD1 3.7Å; V46-F101 HydrophobicContact CB-CE1 3.96Å; V46-F101 HydrophobicContact CB-CG 4.22Å; V46-F101 HydrophobicContact CG1-CD1 3.79Å; V46-F101 HydrophobicContact CG1-CE1 3.88Å; V46-F101 HydrophobicContact CG2-CD1 4.25Å; V46-F101 HydrophobicContact CG2-CE1 4.08Å; V46-F101 HydrophobicContact CG2-CZ 4.37Å; V46-F101 WeakPolarHBondContact O-CA 3.48Å; L87-F101 HydrophobicContact CB-CB 4.16Å; L87-F101 PolarHBondContact N-O 2.93Å; K88-F101 HydrophobicContact CB-CB 4.25Å; K88-F101 HydrophobicContact CB-CD2 3.88Å; K88-F101 HydrophobicContact CB-CG 4.26Å; K88-F101 HydrophobicContact CG-CD2 4.31Å; K88-F101 PolarHBondContact O-N 2.64Å
102	I	82.4	Confident	78.4	Confident	3 Å²	3	55.9 Å²	55.9	2%	0.015	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	132.1	-173.3	-64.4	177	0	0	0	110.6	F45 V46 V47 C85 I86 V100 A104 F109 L134	F45-I102 HydrophobicContact CD1-CD1 3.68Å; F45-I102 HydrophobicContact CE1-CD1 4.22Å; V46-I102 PolarHBondContact O-N 2.84Å; V47-I102 HydrophobicContact CG2-CB 4.33Å; C85-I102 CarbonylContact O-C 3.57Å; C85-I102 VanDerWaalsContact O-CA 3.29Å; C85-I102 WeakPolarHBondContact O-CA 3.27Å; I86-I102 HydrophobicContact CG1-CG1 4.45Å; V100-I102 HydrophobicContact CG1-CD1 4.21Å; V100-I102 HydrophobicContact CG1-CG1 3.98Å; I102-A104 HydrophobicContact CG2-CB 4.05Å; I102-A104 PolarHBondContact O-N 3.2Å; I102-F109 HydrophobicContact CD1-CD2 4.12Å; I102-F109 HydrophobicContact CD1-CE2 3.48Å; I102-F109 VanDerWaalsContact CD1-CE2 3.48Å; I102-F109 HydrophobicContact CD1-CZ 4.16Å; I102-F109 HydrophobicContact CG2-CD2 4.25Å; I102-L134 HydrophobicContact CG2-CD1 4.33Å
103	D	81	Confident	79.5	Confident	114 Å²	114	53.9 Å²	53.9	61%	0.61	30%	0.303	S	S	*	.			trans	-84.9	92.7	172.9	-165.3	12.6	0	0	0	110.1	C85 L87	C85-D103 PolarHBondContact O-N 3.49Å; L87-D103 HydrophobicContact CD1-CB 3.96Å; L87-D103 HydrophobicContact CD2-CB 4Å; L87-D103 HydrophobicContact CG-CB 3.93Å
104	A	80.8	Confident	80.8	Confident	29 Å²	29	46.7 Å²	46.7	24%	0.24	28%	0.275	C	S	.	.	S	Bend	trans	-155	162	177.5	0	0	0	0	0	110	V47 I102 F109 L134	V47-A104 HydrophobicContact CG1-CB 4.36Å; V47-A104 WeakPolarHBondContact CG1-O 3.42Å; I102-A104 HydrophobicContact CG2-CB 4.05Å; I102-A104 PolarHBondContact O-N 3.2Å; A104-F109 HydrophobicContact CB-CB 4.19Å; A104-L134 HydrophobicContact CB-CD1 4.29Å; A104-L134 HydrophobicContact CB-CD2 3.93Å
105	S	81.9	Confident	82.3	Confident	22 Å²	22	41.5 Å²	41.5	15%	0.154	24%	0.237	C	C	.	.			trans	-71.6	148.5	163.8	69.1	0	0	0	0	110.3	D107 V108 F109 L356	S105-D107 PolarHBondContact O-N 2.87Å; S105-V108 PolarHBondContact O-N 2.84Å; S105-V108 VanDerWaalsContact OG-CB 3.32Å; S105-V108 WeakPolarHBondContact OG-CB 3.24Å; S105-V108 WeakPolarHBondContact OG-CG2 3.22Å; S105-F109 PolarHBondContact O-N 2.91Å; S105-L356 VanDerWaalsContact CB-CD1 3.47Å
106	A	82.7	Confident	83.6	Confident	24 Å²	24	39 Å²	39	20%	0.198	22%	0.22	C	C	.	.	H	α-helix	trans	-56.9	-49	-178.2	0	0	0	0	0	111.6	N50 V108 F109 E110	N50-A106 WeakPolarHBondContact ND2-CB 3.42Å; A106-V108 VanDerWaalsContact C-N 3.3Å; A106-V108 PolarHBondContact O-N 3.15Å; A106-F109 PolarHBondContact O-N 3.02Å; A106-E110 VanDerWaalsContact O-CB 3.24Å; A106-E110 WeakPolarHBondContact O-CB 3.17Å; A106-E110 PolarHBondContact O-N 2.95Å
107	D	84.7	Confident	84.3	Confident	109 Å²	109	37.5 Å²	37.5	58%	0.583	20%	0.202	S	C	*	.	H	α-helix	trans	-60.8	-36.9	-178.3	-45.9	-78.9	0	0	0	112.8	S105 A111 L127	S105-D107 PolarHBondContact O-N 2.87Å; D107-A111 WeakPolarHBondContact O-CB 3.23Å; D107-A111 PolarHBondContact O-N 3.45Å; D107-L127 HydrophobicContact CB-CD1 4.14Å
108	V	87.1	Confident	84.8	Confident	3 Å²	3	39.3 Å²	39.3	2%	0.018	21%	0.212	C	C	.	.	H	α-helix	trans	-77.2	-41.6	-179.3	172.7	0	0	0	0	110.8	S105 A106 E110 A111 V112 L127 H130 V131 L134	S105-V108 PolarHBondContact O-N 2.84Å; S105-V108 VanDerWaalsContact OG-CB 3.32Å; S105-V108 WeakPolarHBondContact OG-CB 3.24Å; S105-V108 WeakPolarHBondContact OG-CG2 3.22Å; A106-V108 VanDerWaalsContact C-N 3.3Å; A106-V108 PolarHBondContact O-N 3.15Å; V108-E110 VanDerWaalsContact C-N 3.35Å; V108-A111 PolarHBondContact O-N 2.51Å; V108-V112 WeakPolarHBondContact O-CG2 3.32Å; V108-V112 PolarHBondContact O-N 3.14Å; V108-V112 VanDerWaalsContact O-N 3.07Å; V108-L127 HydrophobicContact CG2-CB 4.3Å; V108-L127 HydrophobicContact CG2-CD1 4.38Å; V108-L127 HydrophobicContact CG2-CD2 4.24Å; V108-H130 HydrophobicContact CG1-CB 4.05Å; V108-H130 HydrophobicContact CG2-CB 3.71Å; V108-V131 HydrophobicContact CG1-CG2 4.05Å; V108-L134 HydrophobicContact CG1-CB 4.18Å; V108-L134 HydrophobicContact CG1-CD2 3.91Å
109	F	89.9	Confident	84.7	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-64.5	-41.3	173.1	-178	-97.3	0	0	0	111.5	F45 V47 Y52 I102 A104 S105 A106 V112 L113 L134	F45-F109 HydrophobicContact CB-CE1 3.79Å; F45-F109 HydrophobicContact CB-CZ 3.66Å; F45-F109 HydrophobicContact CD1-CE2 4.34Å; F45-F109 AromaticContact CD1-CZ 3.78Å; F45-F109 HydrophobicContact CD1-CZ 3.78Å; F45-F109 HydrophobicContact CD2-CE1 4.31Å; F45-F109 AromaticContact CD2-CZ 3.89Å; F45-F109 HydrophobicContact CD2-CZ 3.89Å; F45-F109 HydrophobicContact CE1-CZ 4.39Å; F45-F109 HydrophobicContact CE2-CZ 4.49Å; F45-F109 HydrophobicContact CG-CE1 4.04Å; F45-F109 HydrophobicContact CG-CE2 4.45Å; F45-F109 AromaticContact CG-CZ 3.49Å; F45-F109 HydrophobicContact CG-CZ 3.49Å; F45-F109 VanDerWaalsContact CG-CZ 3.49Å; V47-F109 HydrophobicContact CG1-CB 4.14Å; V47-F109 HydrophobicContact CG2-CB 4.18Å; V47-F109 HydrophobicContact CG2-CD1 3.66Å; V47-F109 HydrophobicContact CG2-CD2 4.28Å; V47-F109 HydrophobicContact CG2-CE1 4.13Å; V47-F109 HydrophobicContact CG2-CG 3.74Å; Y52-F109 AromaticContact CD2-CD1 3.66Å; Y52-F109 HydrophobicContact CD2-CD1 3.66Å; Y52-F109 AromaticContact CD2-CE1 3.81Å; Y52-F109 HydrophobicContact CD2-CE1 3.81Å; Y52-F109 AromaticContact CE2-CD1 3.92Å; Y52-F109 HydrophobicContact CE2-CD1 3.92Å; Y52-F109 HydrophobicContact CG-CD1 4.11Å; Y52-F109 AromaticContact CG-CE1 3.94Å; Y52-F109 HydrophobicContact CG-CE1 3.94Å; I102-F109 HydrophobicContact CD1-CD2 4.12Å; I102-F109 HydrophobicContact CD1-CE2 3.48Å; I102-F109 VanDerWaalsContact CD1-CE2 3.48Å; I102-F109 HydrophobicContact CD1-CZ 4.16Å; I102-F109 HydrophobicContact CG2-CD2 4.25Å; A104-F109 HydrophobicContact CB-CB 4.19Å; S105-F109 PolarHBondContact O-N 2.91Å; A106-F109 PolarHBondContact O-N 3.02Å; F109-V112 PolarHBondContact O-N 2.82Å; F109-L113 HydrophobicContact CE1-CB 4.16Å; F109-L113 HydrophobicContact CE1-CD2 3.95Å; F109-L113 HydrophobicContact CZ-CB 4.43Å; F109-L113 WeakPolarHBondContact O-CB 3.42Å; F109-L113 PolarHBondContact O-N 3.05Å; F109-L134 HydrophobicContact CB-CD2 4.25Å; F109-L134 HydrophobicContact CD2-CD2 4.2Å
110	E	87.8	Confident	84.4	Confident	75 Å²	75	41.9 Å²	41.9	35%	0.35	22%	0.22	S	C	.	.	H	α-helix	trans	-63.5	-40.6	176.8	-174.8	165.5	154	0	0	112	Y52 A106 V108 L113 N114	Y52-E110 HydrophobicContact CE1-CB 3.92Å; Y52-E110 HydrophobicContact CE1-CG 3.95Å; Y52-E110 VanDerWaalsContact CE1-OE2 3.29Å; Y52-E110 WeakPolarHBondContact CE1-OE2 3.47Å; Y52-E110 PolarHBondContact OH-OE2 3.42Å; A106-E110 VanDerWaalsContact O-CB 3.24Å; A106-E110 WeakPolarHBondContact O-CB 3.17Å; A106-E110 PolarHBondContact O-N 2.95Å; V108-E110 VanDerWaalsContact C-N 3.35Å; E110-L113 PolarHBondContact O-N 3.14Å; E110-N114 WeakPolarHBondContact CG-ND2 3.46Å; E110-N114 VanDerWaalsContact O-CB 3.26Å; E110-N114 WeakPolarHBondContact O-CB 3.03Å; E110-N114 VanDerWaalsContact O-CG 3.31Å; E110-N114 PolarHBondContact O-N 3.38Å; E110-N114 PolarHBondContact O-ND2 3.1Å
111	A	87.1	Confident	84.2	Confident	8 Å²	8	42 Å²	42	7%	0.066	22%	0.22	C	C	.	.	H	α-helix	trans	-62.2	-41.8	173.3	0	0	0	0	0	112.5	D107 V108 Y115 L121 V123 V131	D107-A111 WeakPolarHBondContact O-CB 3.23Å; D107-A111 PolarHBondContact O-N 3.45Å; V108-A111 PolarHBondContact O-N 2.51Å; A111-Y115 PolarHBondContact O-N 2.89Å; A111-L121 HydrophobicContact CB-CD1 4.14Å; A111-V123 HydrophobicContact CB-CB 4.32Å; A111-V123 HydrophobicContact CB-CG2 4.22Å; A111-V131 HydrophobicContact CB-CG2 4.37Å
112	V	89.8	Confident	84	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-69.6	-40.9	176.9	174.7	0	0	0	0	111.6	V108 F109 Y115 M116 V131 L134 L138 I140 L143	V108-V112 WeakPolarHBondContact O-CG2 3.32Å; V108-V112 PolarHBondContact O-N 3.14Å; V108-V112 VanDerWaalsContact O-N 3.07Å; F109-V112 PolarHBondContact O-N 2.82Å; V112-Y115 PolarHBondContact O-N 2.71Å; V112-M116 HydrophobicContact CG1-CE 4.23Å; V112-M116 WeakPolarHBondContact O-CG 3.45Å; V112-M116 PolarHBondContact O-N 3.41Å; V112-V131 HydrophobicContact CG2-CG1 4.04Å; V112-L134 HydrophobicContact CB-CD2 4.3Å; V112-L134 HydrophobicContact CG2-CB 4.42Å; V112-L134 HydrophobicContact CG2-CD2 3.95Å; V112-L134 HydrophobicContact CG2-CG 4.28Å; V112-L138 HydrophobicContact CG1-CD1 4.17Å; V112-I140 HydrophobicContact CG1-CD1 3.54Å; V112-L143 HydrophobicContact CB-CD2 4.43Å; V112-L143 HydrophobicContact CG1-CD2 4.16Å; V112-L143 HydrophobicContact CG2-CD2 3.96Å
113	L	87.9	Confident	84.1	Confident	8 Å²	8	42.5 Å²	42.5	4%	0.042	23%	0.229	C	C	.	.	H	α-helix	trans	-65.5	-43.9	176.2	-179.2	62	0	0	0	111.5	Y52 I59 F109 E110 Y115 M116 L117	Y52-L113 HydrophobicContact CD1-CD2 3.98Å; Y52-L113 HydrophobicContact CG-CD2 4.09Å; I59-L113 HydrophobicContact CD1-CD1 3.93Å; F109-L113 HydrophobicContact CE1-CB 4.16Å; F109-L113 HydrophobicContact CE1-CD2 3.95Å; F109-L113 HydrophobicContact CZ-CB 4.43Å; F109-L113 WeakPolarHBondContact O-CB 3.42Å; F109-L113 PolarHBondContact O-N 3.05Å; E110-L113 PolarHBondContact O-N 3.14Å; L113-Y115 VanDerWaalsContact C-N 3.31Å; L113-Y115 PolarHBondContact O-N 3.21Å; L113-M116 HydrophobicContact CD1-CE 4.08Å; L113-M116 PolarHBondContact O-N 2.85Å; L113-M116 VanDerWaalsContact O-N 3.11Å; L113-L117 HydrophobicContact CD1-CD1 4.07Å; L113-L117 HydrophobicContact CD1-CG 4.23Å; L113-L117 HydrophobicContact CG-CD1 3.97Å; L113-L117 HydrophobicContact CG-CG 4.49Å; L113-L117 WeakPolarHBondContact O-CG 3.41Å; L113-L117 PolarHBondContact O-N 2.8Å
114	N	85.9	Confident	84.2	Confident	73 Å²	73	39.5 Å²	39.5	39%	0.39	22%	0.216	S	C	.	.	H	α-helix	trans	-61.8	-38.7	174.6	-79.1	-44.7	0	0	0	111.7	E110 L117 T118	E110-N114 WeakPolarHBondContact CG-ND2 3.46Å; E110-N114 VanDerWaalsContact O-CB 3.26Å; E110-N114 WeakPolarHBondContact O-CB 3.03Å; E110-N114 VanDerWaalsContact O-CG 3.31Å; E110-N114 PolarHBondContact O-N 3.38Å; E110-N114 PolarHBondContact O-ND2 3.1Å; N114-L117 PolarHBondContact O-N 3.04Å; N114-T118 WeakPolarHBondContact O-CB 3.33Å; N114-T118 PolarHBondContact O-N 3.38Å; N114-T118 PolarHBondContact O-OG1 3.37Å
115	Y	87.1	Confident	84.2	Confident	10 Å²	10	41.6 Å²	41.6	4%	0.039	22%	0.221	C	C	.	.	H	α-helix	trans	-61.4	-45.4	170.5	176.2	-92	0	0	0	111.8	A111 V112 L113 L117 T118 L119 L121 I140 T142 L143	A111-Y115 PolarHBondContact O-N 2.89Å; V112-Y115 PolarHBondContact O-N 2.71Å; L113-Y115 VanDerWaalsContact C-N 3.31Å; L113-Y115 PolarHBondContact O-N 3.21Å; Y115-L117 PolarHBondContact O-N 2.83Å; Y115-T118 PolarHBondContact O-N 2.78Å; Y115-L119 VanDerWaalsContact O-CA 3.27Å; Y115-L119 WeakPolarHBondContact O-CA 3.42Å; Y115-L119 PolarHBondContact O-N 2.86Å; Y115-L121 HydrophobicContact CD2-CB 4.23Å; Y115-I140 HydrophobicContact CE1-CG2 4.12Å; Y115-T142 WeakPolarHBondContact OH-CB 3.24Å; Y115-T142 PolarHBondContact OH-OG1 2.92Å; Y115-L143 HydrophobicContact CD1-CB 4.09Å; Y115-L143 HydrophobicContact CD1-CD1 4.28Å; Y115-L143 HydrophobicContact CD1-CD2 3.88Å; Y115-L143 HydrophobicContact CD1-CG 4.32Å; Y115-L143 HydrophobicContact CD2-CD1 4.06Å; Y115-L143 HydrophobicContact CE1-CB 3.75Å; Y115-L143 HydrophobicContact CE1-CD1 4.44Å; Y115-L143 HydrophobicContact CE1-CD2 4.41Å; Y115-L143 HydrophobicContact CE1-CG 4.43Å; Y115-L143 HydrophobicContact CE2-CD1 4.21Å; Y115-L143 HydrophobicContact CG-CD1 4.08Å; Y115-L143 HydrophobicContact CG-CD2 4.17Å
116	M	86.2	Confident	84	Confident	4 Å²	4	46.7 Å²	46.7	2%	0.02	24%	0.242	C	C	.	.	H	α-helix	trans	-65	-25.5	178.2	-70.6	-172.1	-61.8	0	0	114	I59 L62 L66 V112 L113 I140	I59-M116 HydrophobicContact CG2-CE 4.23Å; I59-M116 HydrophobicContact CG2-SD 3.96Å; L62-M116 HydrophobicContact CB-CG 4.29Å; L62-M116 HydrophobicContact CD1-CB 4.25Å; L62-M116 HydrophobicContact CD1-CG 4.32Å; L66-M116 HydrophobicContact CD1-CE 4.35Å; V112-M116 HydrophobicContact CG1-CE 4.23Å; V112-M116 WeakPolarHBondContact O-CG 3.45Å; V112-M116 PolarHBondContact O-N 3.41Å; L113-M116 HydrophobicContact CD1-CE 4.08Å; L113-M116 PolarHBondContact O-N 2.85Å; L113-M116 VanDerWaalsContact O-N 3.11Å; M116-I140 HydrophobicContact CG-CD1 4.14Å; M116-I140 HydrophobicContact SD-CD1 3.69Å
117	L	80	Confident	84.1	Confident	79 Å²	79	47.7 Å²	47.7	41%	0.414	24%	0.244	S	C	.	.	H	α-helix	trans	-93.5	-21.9	179.1	-66.3	174.1	0	0	0	114.1	T58 L113 N114 Y115	T58-L117 HydrophobicContact CG2-CD2 4.26Å; L113-L117 HydrophobicContact CD1-CD1 4.07Å; L113-L117 HydrophobicContact CD1-CG 4.23Å; L113-L117 HydrophobicContact CG-CD1 3.97Å; L113-L117 HydrophobicContact CG-CG 4.49Å; L113-L117 WeakPolarHBondContact O-CG 3.41Å; L113-L117 PolarHBondContact O-N 2.8Å; N114-L117 PolarHBondContact O-N 3.04Å; Y115-L117 PolarHBondContact O-N 2.83Å
118	T	80.2	Confident	84.3	Confident	79 Å²	79	42.6 Å²	42.6	49%	0.485	22%	0.217	S	C	.	.	H	α-helix	trans	-134.6	-4.8	-169.4	71.7	0	0	0	0	115.7	N114 Y115 R120	N114-T118 WeakPolarHBondContact O-CB 3.33Å; N114-T118 PolarHBondContact O-N 3.38Å; N114-T118 PolarHBondContact O-OG1 3.37Å; Y115-T118 PolarHBondContact O-N 2.78Å; T118-R120 PolarHBondContact O-N 3.23Å; T118-R120 VanDerWaalsContact O-N 3.12Å; T118-R120 PolarHBondContact OG1-N 2.8Å
119	L	81	Confident	84.3	Confident	28 Å²	28	42.6 Å²	42.6	15%	0.147	22%	0.217	C	C	.	.	S	Bend	trans	54.6	19	-169.9	-58.3	-179.9	0	0	0	114.9	L27 L31 L62 Y115	L27-L119 HydrophobicContact CD1-CD1 3.94Å; L27-L119 HydrophobicContact CD1-CD2 4.45Å; L31-L119 HydrophobicContact CD1-CD1 3.69Å; L62-L119 HydrophobicContact CD1-CD2 3.81Å; L62-L119 HydrophobicContact CD2-CD2 4.33Å; Y115-L119 VanDerWaalsContact O-CA 3.27Å; Y115-L119 WeakPolarHBondContact O-CA 3.42Å; Y115-L119 PolarHBondContact O-N 2.86Å
120	R	77	Confident	84.1	Confident	142 Å²	142	45.3 Å²	45.3	54%	0.536	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	123.6	176.4	-70.6	177.1	167.1	155.2	4.8	110.8	N21 T118	N21-R120 PolarHBondContact OD1-NE 3.42Å; T118-R120 PolarHBondContact O-N 3.23Å; T118-R120 VanDerWaalsContact O-N 3.12Å; T118-R120 PolarHBondContact OG1-N 2.8Å
121	L	83	Confident	84.2	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	125.6	167.3	-175	69.6	0	0	0	108.9	F20 A111 Y115 V123 V131 L143	F20-L121 HydrophobicContact CD2-CB 4.45Å; F20-L121 HydrophobicContact CD2-CD2 4.36Å; F20-L121 PolarHBondContact N-O 2.91Å; F20-L121 VanDerWaalsContact N-O 3.16Å; A111-L121 HydrophobicContact CB-CD1 4.14Å; Y115-L121 HydrophobicContact CD2-CB 4.23Å; L121-V123 HydrophobicContact CD1-CB 4.49Å; L121-V123 HydrophobicContact CD1-CG1 4.23Å; L121-V123 HydrophobicContact CD2-CG1 4.05Å; L121-V123 HydrophobicContact CG-CG1 3.99Å; L121-V131 HydrophobicContact CD1-CG1 4Å; L121-V131 HydrophobicContact CD2-CG1 4.31Å; L121-L143 HydrophobicContact CD1-CD1 4.27Å; L121-L143 HydrophobicContact CD2-CD1 3.98Å; L121-L143 HydrophobicContact CG-CD1 4.49Å
122	T	81.3	Confident	84.4	Confident	79 Å²	79	41.3 Å²	41.3	49%	0.485	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	110.6	170.8	-57.8	0	0	0	0	107.7	I19	I19-T122 HydrophobicContact CG1-CG2 4.41Å
123	V	84.1	Confident	84.2	Confident	6 Å²	6	44.2 Å²	44.2	4%	0.036	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	148.7	-173.6	71.2	0	0	0	0	110	A111 L121 L127 I128 V131	A111-V123 HydrophobicContact CB-CB 4.32Å; A111-V123 HydrophobicContact CB-CG2 4.22Å; L121-V123 HydrophobicContact CD1-CB 4.49Å; L121-V123 HydrophobicContact CD1-CG1 4.23Å; L121-V123 HydrophobicContact CD2-CG1 4.05Å; L121-V123 HydrophobicContact CG-CG1 3.99Å; V123-L127 HydrophobicContact CG2-CB 3.76Å; V123-L127 HydrophobicContact CG2-CD1 4.29Å; V123-I128 HydrophobicContact CG1-CD1 4.35Å; V123-I128 HydrophobicContact CG1-CG1 3.69Å; V123-V131 HydrophobicContact CG1-CG2 4.49Å; V123-V131 HydrophobicContact CG2-CG2 4.13Å
124	P	82.3	Confident	84.1	Confident	50 Å²	50	44 Å²	44	33%	0.325	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	143.9	167	-24.5	35	0	0	0	112	E126 L127	P124-E126 PolarHBondContact O-N 3.32Å; P124-L127 PolarHBondContact O-N 3.01Å
125	E	81.3	Confident	84.3	Confident	73 Å²	73	40.5 Å²	40.5	34%	0.341	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-59.5	-32	-176.2	-60.5	-177.5	143.2	0	0	112.6	K18 L127 I128 F150	K18-E125 VanDerWaalsContact CD-OE1 3.29Å; K18-E125 WeakPolarHBondContact CD-OE1 3.49Å; K18-E125 WeakPolarHBondContact CE-OE1 3.3Å; K18-E125 IonicContact NZ-OE1 2.61Å; K18-E125 PolarHBondContact NZ-OE1 3.2Å; E125-L127 VanDerWaalsContact C-N 3.28Å; E125-L127 PolarHBondContact O-N 3.09Å; E125-I128 PolarHBondContact O-N 3.02Å; E125-F150 HydrophobicContact CB-CZ 4.46Å; E125-F150 HydrophobicContact CG-CZ 4.25Å
126	E	78.1	Confident	84.2	Confident	130 Å²	130	41.7 Å²	41.7	61%	0.607	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-61.4	-28.7	176.7	-65.7	166.7	-146.4	0	0	113.9	P124 P129	P124-E126 PolarHBondContact O-N 3.32Å; E126-P129 WeakPolarHBondContact O-CD 3.43Å
127	L	84.6	Confident	84.1	Confident	45 Å²	45	41.5 Å²	41.5	24%	0.236	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-93.2	-7.3	-178.3	-68	179.7	0	0	0	113.5	D107 V108 V123 P124 E125 P129 H130 V131	D107-L127 HydrophobicContact CB-CD1 4.14Å; V108-L127 HydrophobicContact CG2-CB 4.3Å; V108-L127 HydrophobicContact CG2-CD1 4.38Å; V108-L127 HydrophobicContact CG2-CD2 4.24Å; V123-L127 HydrophobicContact CG2-CB 3.76Å; V123-L127 HydrophobicContact CG2-CD1 4.29Å; P124-L127 PolarHBondContact O-N 3.01Å; E125-L127 VanDerWaalsContact C-N 3.28Å; E125-L127 PolarHBondContact O-N 3.09Å; L127-P129 VanDerWaalsContact C-CD 3.46Å; L127-H130 WeakPolarHBondContact O-CB 3.31Å; L127-H130 PolarHBondContact O-N 3.39Å; L127-V131 PolarHBondContact O-N 3.38Å
128	I	89.1	Confident	84.5	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-57.9	-37.3	-179.8	-64.3	175.1	0	0	0	113.1	V123 E125 H130 V131 Y132 C147 F150 L151	V123-I128 HydrophobicContact CG1-CD1 4.35Å; V123-I128 HydrophobicContact CG1-CG1 3.69Å; E125-I128 PolarHBondContact O-N 3.02Å; I128-H130 VanDerWaalsContact C-N 3.26Å; I128-H130 PolarHBondContact O-N 3.16Å; I128-V131 PolarHBondContact O-N 3.22Å; I128-Y132 WeakPolarHBondContact O-CB 3.08Å; I128-Y132 PolarHBondContact O-N 2.79Å; I128-C147 HydrophobicContact CG2-CB 4.2Å; I128-F150 HydrophobicContact CB-CD1 4.37Å; I128-F150 HydrophobicContact CB-CE1 4.48Å; I128-F150 HydrophobicContact CD1-CD1 3.64Å; I128-F150 HydrophobicContact CD1-CE1 3.44Å; I128-F150 VanDerWaalsContact CD1-CE1 3.44Å; I128-F150 HydrophobicContact CD1-CE2 4.36Å; I128-F150 HydrophobicContact CD1-CG 4.18Å; I128-F150 HydrophobicContact CD1-CZ 3.83Å; I128-F150 HydrophobicContact CG2-CD1 3.81Å; I128-F150 HydrophobicContact CG2-CE1 4.4Å; I128-L151 HydrophobicContact CG2-CD2 4.24Å; I128-L151 HydrophobicContact CG2-CG 4.21Å
129	P	87.2	Confident	84.8	Confident	2 Å²	2	36 Å²	36	1%	0.013	17%	0.173	C	C	.	.	H	α-helix	trans	-58.7	-33.4	171.8	-26.3	36.3	0	0	0	114.3	E126 L127 F133 L151 V162 L163	E126-P129 WeakPolarHBondContact O-CD 3.43Å; L127-P129 VanDerWaalsContact C-CD 3.46Å; P129-F133 PolarHBondContact O-N 2.86Å; P129-L151 HydrophobicContact CG-CD2 4.06Å; P129-V162 HydrophobicContact CB-CB 3.98Å; P129-V162 HydrophobicContact CB-CG1 3.73Å; P129-L163 HydrophobicContact CB-CD2 4.02Å; P129-L163 HydrophobicContact CB-CG 4.27Å
130	H	86	Confident	85.2	Confident	57 Å²	57	34.7 Å²	34.7	26%	0.264	17%	0.166	S	C	.	.	H	α-helix	trans	-78.7	-37.5	176.6	-63.1	-84.3	0	0	0	111.9	V108 L127 I128 Y132 F133 L134	V108-H130 HydrophobicContact CG1-CB 4.05Å; V108-H130 HydrophobicContact CG2-CB 3.71Å; L127-H130 WeakPolarHBondContact O-CB 3.31Å; L127-H130 PolarHBondContact O-N 3.39Å; I128-H130 VanDerWaalsContact C-N 3.26Å; I128-H130 PolarHBondContact O-N 3.16Å; H130-Y132 VanDerWaalsContact C-N 3.34Å; H130-F133 PolarHBondContact O-N 2.83Å; H130-L134 PolarHBondContact O-N 3.1Å
131	V	89.6	Confident	85.7	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62	-42.6	171.7	176	0	0	0	0	110.7	V108 A111 V112 L121 V123 L127 I128 L134 S135 L143	V108-V131 HydrophobicContact CG1-CG2 4.05Å; A111-V131 HydrophobicContact CB-CG2 4.37Å; V112-V131 HydrophobicContact CG2-CG1 4.04Å; L121-V131 HydrophobicContact CD1-CG1 4Å; L121-V131 HydrophobicContact CD2-CG1 4.31Å; V123-V131 HydrophobicContact CG1-CG2 4.49Å; V123-V131 HydrophobicContact CG2-CG2 4.13Å; L127-V131 PolarHBondContact O-N 3.38Å; I128-V131 PolarHBondContact O-N 3.22Å; V131-L134 PolarHBondContact O-N 3.32Å; V131-S135 VanDerWaalsContact O-CB 3.25Å; V131-S135 WeakPolarHBondContact O-CB 3.49Å; V131-S135 PolarHBondContact O-N 3.21Å; V131-S135 PolarHBondContact O-OG 2.57Å; V131-L143 HydrophobicContact CG1-CD1 4.22Å; V131-L143 HydrophobicContact CG1-CD2 4.1Å; V131-L143 HydrophobicContact CG1-CG 4.26Å
132	Y	90.4	Very high	85.8	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-54	-55.6	171.6	167.3	-113.4	0	0	0	110.9	I128 H130 L134 S135 K136 E144 C147 I148 L151 L163 I167 L192	I128-Y132 WeakPolarHBondContact O-CB 3.08Å; I128-Y132 PolarHBondContact O-N 2.79Å; H130-Y132 VanDerWaalsContact C-N 3.34Å; Y132-L134 PolarHBondContact O-N 3.17Å; Y132-S135 PolarHBondContact O-N 3Å; Y132-S135 PolarHBondContact O-OG 3.33Å; Y132-K136 PolarHBondContact O-N 3.19Å; Y132-E144 HydrophobicContact CD2-CG 4.1Å; Y132-E144 HydrophobicContact CE2-CG 3.68Å; Y132-C147 HydrophobicContact CD2-CB 4.22Å; Y132-C147 HydrophobicContact CG-CB 4.42Å; Y132-I148 HydrophobicContact CD2-CG1 4.1Å; Y132-I148 HydrophobicContact CE2-CD1 3.88Å; Y132-I148 HydrophobicContact CE2-CG1 3.71Å; Y132-L151 HydrophobicContact CG-CD1 4.22Å; Y132-L163 HydrophobicContact CD1-CD2 4.06Å; Y132-I167 HydrophobicContact CE1-CD1 4.41Å; Y132-I167 HydrophobicContact CE1-CG1 4.41Å; Y132-L192 HydrophobicContact CE1-CD2 4.27Å
133	F	85.5	Confident	86.2	Confident	60 Å²	60	34.8 Å²	34.8	26%	0.263	17%	0.17	S	C	.	.	H	α-helix	trans	-58.3	-47.7	-179.1	177.8	-115.3	0	0	0	112.7	P129 H130 S135 K136 C137 F166	P129-F133 PolarHBondContact O-N 2.86Å; H130-F133 PolarHBondContact O-N 2.83Å; F133-S135 VanDerWaalsContact C-N 3.33Å; F133-S135 PolarHBondContact O-N 2.68Å; F133-K136 WeakPolarHBondContact O-CB 3.46Å; F133-K136 PolarHBondContact O-N 3.33Å; F133-C137 WeakPolarHBondContact CE2-SG 3.15Å; F133-C137 WeakPolarHBondContact CZ-SG 3.45Å; F133-C137 PolarHBondContact O-N 2.95Å; F133-C137 PolarHBondContact O-SG 3.42Å; F133-F166 HydrophobicContact CB-CD2 3.64Å; F133-F166 HydrophobicContact CB-CE2 3.68Å; F133-F166 HydrophobicContact CB-CG 4.15Å; F133-F166 HydrophobicContact CB-CZ 4.24Å; F133-F166 HydrophobicContact CD1-CD1 4.23Å; F133-F166 HydrophobicContact CD1-CD2 4.4Å; F133-F166 AromaticContact CD1-CE1 3.74Å; F133-F166 HydrophobicContact CD1-CE1 3.74Å; F133-F166 AromaticContact CD1-CE2 3.93Å; F133-F166 HydrophobicContact CD1-CE2 3.93Å; F133-F166 AromaticContact CD1-CZ 3.57Å; F133-F166 HydrophobicContact CD1-CZ 3.57Å; F133-F166 HydrophobicContact CD2-CB 3.75Å; F133-F166 AromaticContact CD2-CD1 3.28Å; F133-F166 HydrophobicContact CD2-CD1 3.28Å; F133-F166 AromaticContact CD2-CD2 3.72Å; F133-F166 HydrophobicContact CD2-CD2 3.72Å; F133-F166 AromaticContact CD2-CE1 3.68Å; F133-F166 HydrophobicContact CD2-CE1 3.68Å; F133-F166 HydrophobicContact CD2-CE2 4.07Å; F133-F166 AromaticContact CD2-CG 3.29Å; F133-F166 HydrophobicContact CD2-CG 3.29Å; F133-F166 HydrophobicContact CD2-CZ 4.05Å; F133-F166 HydrophobicContact CE1-CD1 4.19Å; F133-F166 AromaticContact CE1-CE1 3.62Å; F133-F166 HydrophobicContact CE1-CE1 3.62Å; F133-F166 AromaticContact CE1-CZ 3.86Å; F133-F166 HydrophobicContact CE1-CZ 3.86Å; F133-F166 HydrophobicContact CE2-CB 4.25Å; F133-F166 AromaticContact CE2-CD1 3.22Å; F133-F166 HydrophobicContact CE2-CD1 3.22Å; F133-F166 HydrophobicContact CE2-CD2 4.5Å; F133-F166 AromaticContact CE2-CE1 3.55Å; F133-F166 HydrophobicContact CE2-CE1 3.55Å; F133-F166 AromaticContact CE2-CG 3.76Å; F133-F166 HydrophobicContact CE2-CG 3.76Å; F133-F166 HydrophobicContact CE2-CZ 4.31Å; F133-F166 AromaticContact CG-CD1 3.8Å; F133-F166 HydrophobicContact CG-CD1 3.8Å; F133-F166 AromaticContact CG-CD2 3.65Å; F133-F166 HydrophobicContact CG-CD2 3.65Å; F133-F166 AromaticContact CG-CE1 3.77Å; F133-F166 HydrophobicContact CG-CE1 3.77Å; F133-F166 AromaticContact CG-CE2 3.6Å; F133-F166 HydrophobicContact CG-CE2 3.6Å; F133-F166 AromaticContact CG-CG 3.74Å; F133-F166 HydrophobicContact CG-CG 3.74Å; F133-F166 AromaticContact CG-CZ 3.66Å; F133-F166 HydrophobicContact CG-CZ 3.66Å; F133-F166 AromaticContact CZ-CD1 3.71Å; F133-F166 HydrophobicContact CZ-CD1 3.71Å; F133-F166 AromaticContact CZ-CE1 3.51Å; F133-F166 HydrophobicContact CZ-CE1 3.51Å; F133-F166 HydrophobicContact CZ-CZ 4.22Å
134	L	87.2	Confident	86.4	Confident	4 Å²	4	36 Å²	36	2%	0.021	18%	0.175	C	C	.	.	H	α-helix	trans	-65.7	-36.5	179	-174.2	59.6	0	0	0	112	I102 A104 V108 F109 V112 H130 V131 Y132 K136 C137 L138	I102-L134 HydrophobicContact CG2-CD1 4.33Å; A104-L134 HydrophobicContact CB-CD1 4.29Å; A104-L134 HydrophobicContact CB-CD2 3.93Å; V108-L134 HydrophobicContact CG1-CB 4.18Å; V108-L134 HydrophobicContact CG1-CD2 3.91Å; F109-L134 HydrophobicContact CB-CD2 4.25Å; F109-L134 HydrophobicContact CD2-CD2 4.2Å; V112-L134 HydrophobicContact CB-CD2 4.3Å; V112-L134 HydrophobicContact CG2-CB 4.42Å; V112-L134 HydrophobicContact CG2-CD2 3.95Å; V112-L134 HydrophobicContact CG2-CG 4.28Å; H130-L134 PolarHBondContact O-N 3.1Å; V131-L134 PolarHBondContact O-N 3.32Å; Y132-L134 PolarHBondContact O-N 3.17Å; L134-K136 PolarHBondContact O-N 2.78Å; L134-C137 PolarHBondContact O-N 2.9Å; L134-L138 HydrophobicContact CD1-CD1 3.93Å; L134-L138 HydrophobicContact CD1-CG 4.04Å; L134-L138 HydrophobicContact CG-CD1 3.95Å; L134-L138 HydrophobicContact CG-CG 4.4Å; L134-L138 WeakPolarHBondContact O-CB 3.43Å; L134-L138 WeakPolarHBondContact O-CG 3.5Å; L134-L138 PolarHBondContact O-N 3.1Å
135	S	89	Confident	86.6	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63.6	-39.3	175.1	75.1	0	0	0	0	112.3	V131 Y132 F133 L138 Q139 I140 E144	V131-S135 VanDerWaalsContact O-CB 3.25Å; V131-S135 WeakPolarHBondContact O-CB 3.49Å; V131-S135 PolarHBondContact O-N 3.21Å; V131-S135 PolarHBondContact O-OG 2.57Å; Y132-S135 PolarHBondContact O-N 3Å; Y132-S135 PolarHBondContact O-OG 3.33Å; F133-S135 VanDerWaalsContact C-N 3.33Å; F133-S135 PolarHBondContact O-N 2.68Å; S135-L138 CarbonylContact O-C 3.57Å; S135-Q139 PolarHBondContact O-N 3.42Å; S135-I140 PolarHBondContact O-N 2.85Å; S135-E144 WeakPolarHBondContact OG-CA 3.48Å; S135-E144 PolarHBondContact OG-N 2.85Å
136	K	86.2	Confident	86.8	Confident	34 Å²	34	33 Å²	33	15%	0.148	16%	0.161	C	C	.	.	H	α-helix	trans	-64.8	-47.3	173.5	-170.9	-178.7	-168.1	175.6	0	111.2	Y132 F133 L134 L138 Q139 E189	Y132-K136 PolarHBondContact O-N 3.19Å; F133-K136 WeakPolarHBondContact O-CB 3.46Å; F133-K136 PolarHBondContact O-N 3.33Å; L134-K136 PolarHBondContact O-N 2.78Å; K136-L138 VanDerWaalsContact C-N 3.3Å; K136-L138 PolarHBondContact O-N 2.88Å; K136-Q139 PolarHBondContact O-N 2.82Å; K136-E189 IonicContact NZ-OE1 2.91Å; K136-E189 PolarHBondContact NZ-OE1 3.31Å
137	C	83.9	Confident	87.4	Confident	0 Å²	0	27 Å²	27	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-61.5	-36.7	178.8	-63.6	0	0	0	0	113.2	H83 C85 F133 L134 Q139	H83-C137 HydrophobicContact CB-CB 3.99Å; H83-C137 VanDerWaalsContact CB-SG 3.56Å; C85-C137 HydrophobicContact CB-CB 3.83Å; C85-C137 WeakPolarHBondContact SG-CB 3.3Å; F133-C137 WeakPolarHBondContact CE2-SG 3.15Å; F133-C137 WeakPolarHBondContact CZ-SG 3.45Å; F133-C137 PolarHBondContact O-N 2.95Å; F133-C137 PolarHBondContact O-SG 3.42Å; L134-C137 PolarHBondContact O-N 2.9Å; C137-Q139 VanDerWaalsContact C-N 3.33Å
138	L	86.6	Confident	87.6	Confident	0 Å²	0	25 Å²	25	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	3.5	175.5	-60.3	177.9	0	0	0	113.2	S63 L66 V112 L134 S135 K136 I140	S63-L138 WeakPolarHBondContact CB-O 3.24Å; S63-L138 PolarHBondContact OG-O 2.84Å; L66-L138 HydrophobicContact CD1-CD1 4.47Å; L66-L138 HydrophobicContact CD1-CD2 4.32Å; L66-L138 HydrophobicContact CD2-CD2 4.18Å; L66-L138 HydrophobicContact CG-CD2 4.08Å; V112-L138 HydrophobicContact CG1-CD1 4.17Å; L134-L138 HydrophobicContact CD1-CD1 3.93Å; L134-L138 HydrophobicContact CD1-CG 4.04Å; L134-L138 HydrophobicContact CG-CD1 3.95Å; L134-L138 HydrophobicContact CG-CG 4.4Å; L134-L138 WeakPolarHBondContact O-CB 3.43Å; L134-L138 WeakPolarHBondContact O-CG 3.5Å; L134-L138 PolarHBondContact O-N 3.1Å; S135-L138 CarbonylContact O-C 3.57Å; K136-L138 VanDerWaalsContact C-N 3.3Å; K136-L138 PolarHBondContact O-N 2.88Å; L138-I140 VanDerWaalsContact C-N 3.33Å; L138-I140 HydrophobicContact CB-CD1 3.84Å; L138-I140 HydrophobicContact CB-CG1 3.88Å; L138-I140 HydrophobicContact CD1-CD1 4.24Å; L138-I140 PolarHBondContact O-N 2.88Å
139	Q	88.4	Confident	87.5	Confident	44 Å²	44	30.4 Å²	30.4	21%	0.206	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	37	178.9	-62.7	164.7	19.9	0	0	114.6	E64 E65 T82 S135 K136 C137 K141	E64-Q139 HydrophobicContact CB-CB 4.3Å; E65-Q139 HydrophobicContact CB-CB 4.45Å; E65-Q139 HydrophobicContact CB-CG 4.31Å; E65-Q139 VanDerWaalsContact CD-NE2 3.29Å; E65-Q139 PolarHBondContact OE2-NE2 2.76Å; E65-Q139 PolarHBondContact OE2-OE1 3.46Å; T82-Q139 PolarHBondContact OG1-NE2 3.26Å; S135-Q139 PolarHBondContact O-N 3.42Å; K136-Q139 PolarHBondContact O-N 2.82Å; C137-Q139 VanDerWaalsContact C-N 3.33Å; Q139-K141 PolarHBondContact O-N 2.87Å
140	I	89.4	Confident	87.5	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.151	C	C	.	.			trans	-89	73.7	-179.6	-49.5	172.9	0	0	0	109.8	L62 V112 Y115 M116 S135 L138 T142 L143 E144	L62-I140 HydrophobicContact CB-CG2 4.43Å; L62-I140 WeakPolarHBondContact O-CA 3.43Å; V112-I140 HydrophobicContact CG1-CD1 3.54Å; Y115-I140 HydrophobicContact CE1-CG2 4.12Å; M116-I140 HydrophobicContact CG-CD1 4.14Å; M116-I140 HydrophobicContact SD-CD1 3.69Å; S135-I140 PolarHBondContact O-N 2.85Å; L138-I140 VanDerWaalsContact C-N 3.33Å; L138-I140 HydrophobicContact CB-CD1 3.84Å; L138-I140 HydrophobicContact CB-CG1 3.88Å; L138-I140 HydrophobicContact CD1-CD1 4.24Å; L138-I140 PolarHBondContact O-N 2.88Å; I140-T142 PolarHBondContact O-N 3.09Å; I140-T142 VanDerWaalsContact O-N 3.08Å; I140-L143 HydrophobicContact CB-CB 4.28Å; I140-L143 HydrophobicContact CG2-CB 3.68Å; I140-L143 PolarHBondContact O-N 2.83Å; I140-E144 PolarHBondContact O-N 3.17Å
141	K	86.4	Confident	87.6	Confident	155 Å²	155	28.6 Å²	28.6	67%	0.674	14%	0.139	S	C	*	.	H	α-helix	trans	-52.8	-33.6	-170.8	-65.2	-175.8	178.9	-178.5	0	115.4	Q139 T145	Q139-K141 PolarHBondContact O-N 2.87Å; K141-T145 WeakPolarHBondContact O-CB 3.38Å; K141-T145 PolarHBondContact O-N 2.97Å; K141-T145 PolarHBondContact O-OG1 3.14Å
142	T	86.3	Confident	87.5	Confident	68 Å²	68	30.7 Å²	30.7	42%	0.417	15%	0.15	S	C	.	.	H	α-helix	trans	-69	-42.2	179.3	54.8	0	0	0	0	111.8	Y115 I140 T146	Y115-T142 WeakPolarHBondContact OH-CB 3.24Å; Y115-T142 PolarHBondContact OH-OG1 2.92Å; I140-T142 PolarHBondContact O-N 3.09Å; I140-T142 VanDerWaalsContact O-N 3.08Å; T142-T146 WeakPolarHBondContact O-CB 3.39Å; T142-T146 PolarHBondContact O-N 2.85Å; T142-T146 VanDerWaalsContact O-N 3.08Å; T142-T146 PolarHBondContact O-OG1 2.93Å
143	L	88.6	Confident	87.2	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-73.7	-37.7	176.8	-175.6	58.3	0	0	0	111.2	V112 Y115 L121 V131 I140 T146 C147	V112-L143 HydrophobicContact CB-CD2 4.43Å; V112-L143 HydrophobicContact CG1-CD2 4.16Å; V112-L143 HydrophobicContact CG2-CD2 3.96Å; Y115-L143 HydrophobicContact CD1-CB 4.09Å; Y115-L143 HydrophobicContact CD1-CD1 4.28Å; Y115-L143 HydrophobicContact CD1-CD2 3.88Å; Y115-L143 HydrophobicContact CD1-CG 4.32Å; Y115-L143 HydrophobicContact CD2-CD1 4.06Å; Y115-L143 HydrophobicContact CE1-CB 3.75Å; Y115-L143 HydrophobicContact CE1-CD1 4.44Å; Y115-L143 HydrophobicContact CE1-CD2 4.41Å; Y115-L143 HydrophobicContact CE1-CG 4.43Å; Y115-L143 HydrophobicContact CE2-CD1 4.21Å; Y115-L143 HydrophobicContact CG-CD1 4.08Å; Y115-L143 HydrophobicContact CG-CD2 4.17Å; L121-L143 HydrophobicContact CD1-CD1 4.27Å; L121-L143 HydrophobicContact CD2-CD1 3.98Å; L121-L143 HydrophobicContact CG-CD1 4.49Å; V131-L143 HydrophobicContact CG1-CD1 4.22Å; V131-L143 HydrophobicContact CG1-CD2 4.1Å; V131-L143 HydrophobicContact CG1-CG 4.26Å; I140-L143 HydrophobicContact CB-CB 4.28Å; I140-L143 HydrophobicContact CG2-CB 3.68Å; I140-L143 PolarHBondContact O-N 2.83Å; L143-T146 WeakPolarHBondContact O-CB 3.44Å; L143-T146 PolarHBondContact O-N 3.02Å; L143-C147 PolarHBondContact O-N 2.89Å; L143-C147 PolarHBondContact O-SG 2.92Å
144	E	88.5	Confident	87.2	Confident	33 Å²	33	38.6 Å²	38.6	15%	0.154	19%	0.189	C	C	.	.	H	α-helix	trans	-58.1	-52.2	174	-171.9	-172.3	-179.9	0	0	111.1	Y132 S135 I140 T146 C147 I148	Y132-E144 HydrophobicContact CD2-CG 4.1Å; Y132-E144 HydrophobicContact CE2-CG 3.68Å; S135-E144 WeakPolarHBondContact OG-CA 3.48Å; S135-E144 PolarHBondContact OG-N 2.85Å; I140-E144 PolarHBondContact O-N 3.17Å; E144-T146 PolarHBondContact O-N 2.83Å; E144-C147 PolarHBondContact O-N 2.8Å; E144-I148 HydrophobicContact CG-CD1 4.1Å; E144-I148 WeakPolarHBondContact O-CG1 3.31Å; E144-I148 PolarHBondContact O-N 2.85Å
145	T	86.7	Confident	87.1	Confident	51 Å²	51	39.6 Å²	39.6	31%	0.313	20%	0.195	S	C	.	.	H	α-helix	trans	-61.9	-43.3	178.2	-52.4	0	0	0	0	111.4	K141 C147 I148 E149 P188	K141-T145 WeakPolarHBondContact O-CB 3.38Å; K141-T145 PolarHBondContact O-N 2.97Å; K141-T145 PolarHBondContact O-OG1 3.14Å; T145-C147 VanDerWaalsContact C-N 3.34Å; T145-C147 PolarHBondContact O-N 3.02Å; T145-I148 WeakPolarHBondContact O-CB 3.31Å; T145-I148 PolarHBondContact O-N 2.83Å; T145-E149 WeakPolarHBondContact O-CG 3.35Å; T145-E149 PolarHBondContact O-N 2.88Å; T145-P188 HydrophobicContact CG2-CG 4.3Å
146	T	86.2	Confident	86.7	Confident	9 Å²	9	41.9 Å²	41.9	6%	0.055	21%	0.21	C	C	.	.	H	α-helix	trans	-54.9	-46.8	174.1	-66.8	0	0	0	0	112.1	Y22 T142 L143 E144 F150	Y22-T146 HydrophobicContact CE2-CG2 3.87Å; Y22-T146 WeakPolarHBondContact OH-CG2 3.3Å; Y22-T146 PolarHBondContact OH-OG1 3.21Å; T142-T146 WeakPolarHBondContact O-CB 3.39Å; T142-T146 PolarHBondContact O-N 2.85Å; T142-T146 VanDerWaalsContact O-N 3.08Å; T142-T146 PolarHBondContact O-OG1 2.93Å; L143-T146 WeakPolarHBondContact O-CB 3.44Å; L143-T146 PolarHBondContact O-N 3.02Å; E144-T146 PolarHBondContact O-N 2.83Å; T146-F150 PolarHBondContact O-N 3.11Å
147	C	89.2	Confident	86.1	Confident	2 Å²	2	42.7 Å²	42.7	1%	0.014	22%	0.216	C	C	.	.	H	α-helix	trans	-70.2	-36.2	179.9	-62.4	0	0	0	0	111.5	I128 Y132 L143 E144 T145 F150 L151	I128-C147 HydrophobicContact CG2-CB 4.2Å; Y132-C147 HydrophobicContact CD2-CB 4.22Å; Y132-C147 HydrophobicContact CG-CB 4.42Å; L143-C147 PolarHBondContact O-N 2.89Å; L143-C147 PolarHBondContact O-SG 2.92Å; E144-C147 PolarHBondContact O-N 2.8Å; T145-C147 VanDerWaalsContact C-N 3.34Å; T145-C147 PolarHBondContact O-N 3.02Å; C147-F150 PolarHBondContact O-N 2.83Å; C147-L151 VanDerWaalsContact O-CB 3.32Å; C147-L151 WeakPolarHBondContact O-CB 3.41Å; C147-L151 WeakPolarHBondContact O-CD1 3.36Å; C147-L151 WeakPolarHBondContact O-CG 3.41Å; C147-L151 PolarHBondContact O-N 2.85Å
148	I	88.8	Confident	85.6	Confident	3 Å²	3	45.4 Å²	45.4	2%	0.015	23%	0.23	C	C	.	.	H	α-helix	trans	-61	-50.6	174.5	-73.8	165.1	0	0	0	111.4	Y132 E144 T145 F150 L151 I152 P188 L192	Y132-I148 HydrophobicContact CD2-CG1 4.1Å; Y132-I148 HydrophobicContact CE2-CD1 3.88Å; Y132-I148 HydrophobicContact CE2-CG1 3.71Å; E144-I148 HydrophobicContact CG-CD1 4.1Å; E144-I148 WeakPolarHBondContact O-CG1 3.31Å; E144-I148 PolarHBondContact O-N 2.85Å; T145-I148 WeakPolarHBondContact O-CB 3.31Å; T145-I148 PolarHBondContact O-N 2.83Å; I148-F150 VanDerWaalsContact C-N 3.26Å; I148-F150 PolarHBondContact O-N 3.41Å; I148-L151 PolarHBondContact O-N 3.23Å; I148-I152 HydrophobicContact CG2-CD1 3.64Å; I148-I152 HydrophobicContact CG2-CG1 4.39Å; I148-I152 WeakPolarHBondContact O-CG1 3.43Å; I148-I152 PolarHBondContact O-N 3.18Å; I148-P188 HydrophobicContact CB-CB 4.41Å; I148-P188 HydrophobicContact CD1-CB 3.91Å; I148-P188 HydrophobicContact CG2-CB 3.72Å; I148-P188 WeakPolarHBondContact CG2-O 3.45Å; I148-L192 HydrophobicContact CG1-CD2 3.95Å; I148-L192 HydrophobicContact CG2-CB 4.18Å
149	E	86.9	Confident	85.2	Confident	117 Å²	117	45.8 Å²	45.8	55%	0.547	23%	0.233	S	C	.	.	H	α-helix	trans	-57.3	-40.5	177.9	-72.9	-179.3	165.3	0	0	111.6	T145 H153	T145-E149 WeakPolarHBondContact O-CG 3.35Å; T145-E149 PolarHBondContact O-N 2.88Å; E149-H153 PolarHBondContact O-CD2 2.91Å
150	F	87.8	Confident	85	Confident	19 Å²	19	43.7 Å²	43.7	8%	0.083	22%	0.223	C	C	.	.	H	α-helix	trans	-64.4	-52.7	173.7	-178.6	-95.4	0	0	0	112.5	K18 F20 E125 I128 T146 C147 I148 I152 H153 N154	K18-F150 HydrophobicContact CD-CD2 4.35Å; K18-F150 HydrophobicContact CD-CE2 3.54Å; K18-F150 HydrophobicContact CD-CZ 4.24Å; F20-F150 HydrophobicContact CE1-CD2 4.43Å; F20-F150 AromaticContact CZ-CD2 3.72Å; F20-F150 HydrophobicContact CZ-CD2 3.72Å; F20-F150 HydrophobicContact CZ-CE2 4.29Å; F20-F150 HydrophobicContact CZ-CG 4.32Å; E125-F150 HydrophobicContact CB-CZ 4.46Å; E125-F150 HydrophobicContact CG-CZ 4.25Å; I128-F150 HydrophobicContact CB-CD1 4.37Å; I128-F150 HydrophobicContact CB-CE1 4.48Å; I128-F150 HydrophobicContact CD1-CD1 3.64Å; I128-F150 HydrophobicContact CD1-CE1 3.44Å; I128-F150 VanDerWaalsContact CD1-CE1 3.44Å; I128-F150 HydrophobicContact CD1-CE2 4.36Å; I128-F150 HydrophobicContact CD1-CG 4.18Å; I128-F150 HydrophobicContact CD1-CZ 3.83Å; I128-F150 HydrophobicContact CG2-CD1 3.81Å; I128-F150 HydrophobicContact CG2-CE1 4.4Å; T146-F150 PolarHBondContact O-N 3.11Å; C147-F150 PolarHBondContact O-N 2.83Å; I148-F150 VanDerWaalsContact C-N 3.26Å; I148-F150 PolarHBondContact O-N 3.41Å; F150-I152 PolarHBondContact O-N 3.49Å; F150-H153 PolarHBondContact O-N 3.44Å; F150-H153 VanDerWaalsContact O-N 3.15Å; F150-N154 HydrophobicContact CD1-CB 4.12Å; F150-N154 HydrophobicContact CE1-CB 3.56Å; F150-N154 HydrophobicContact CE2-CB 4.14Å; F150-N154 WeakPolarHBondContact CE2-ND2 3.3Å; F150-N154 HydrophobicContact CZ-CB 3.59Å; F150-N154 VanDerWaalsContact CZ-CG 3.5Å; F150-N154 WeakPolarHBondContact O-CB 3.45Å; F150-N154 PolarHBondContact O-N 3.44Å; F150-N154 VanDerWaalsContact O-N 3.1Å; F150-N154 PolarHBondContact O-ND2 3.18Å
151	L	88.7	Confident	84.4	Confident	2 Å²	2	44.5 Å²	44.5	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-64.2	-38.2	-172	-72.9	166.6	0	0	0	112	I128 P129 Y132 C147 I148 H153 N154 L155 L163 L192	I128-L151 HydrophobicContact CG2-CD2 4.24Å; I128-L151 HydrophobicContact CG2-CG 4.21Å; P129-L151 HydrophobicContact CG-CD2 4.06Å; Y132-L151 HydrophobicContact CG-CD1 4.22Å; C147-L151 VanDerWaalsContact O-CB 3.32Å; C147-L151 WeakPolarHBondContact O-CB 3.41Å; C147-L151 WeakPolarHBondContact O-CD1 3.36Å; C147-L151 WeakPolarHBondContact O-CG 3.41Å; C147-L151 PolarHBondContact O-N 2.85Å; I148-L151 PolarHBondContact O-N 3.23Å; L151-H153 PolarHBondContact O-N 2.94Å; L151-H153 VanDerWaalsContact O-N 3.15Å; L151-N154 CarbonylContact O-C 3.55Å; L151-N154 PolarHBondContact O-N 2.95Å; L151-N154 VanDerWaalsContact O-N 3.08Å; L151-L155 HydrophobicContact CB-CD2 4.39Å; L151-L155 WeakPolarHBondContact O-CD2 3.28Å; L151-L155 VanDerWaalsContact O-CG 3.31Å; L151-L155 WeakPolarHBondContact O-CG 3.5Å; L151-L155 PolarHBondContact O-N 3Å; L151-L163 HydrophobicContact CD1-CD2 3.94Å; L151-L163 HydrophobicContact CD2-CD1 4.42Å; L151-L192 HydrophobicContact CB-CD1 3.74Å; L151-L192 HydrophobicContact CD1-CD2 4.17Å
152	I	86.9	Confident	84	Confident	44 Å²	44	38.4 Å²	38.4	23%	0.226	21%	0.207	C	C	.	.	H	α-helix	trans	-54.7	-34	175.9	-73.4	167	0	0	0	112.2	I148 F150 C191 L192 T195	I148-I152 HydrophobicContact CG2-CD1 3.64Å; I148-I152 HydrophobicContact CG2-CG1 4.39Å; I148-I152 WeakPolarHBondContact O-CG1 3.43Å; I148-I152 PolarHBondContact O-N 3.18Å; F150-I152 PolarHBondContact O-N 3.49Å; I152-C191 HydrophobicContact CD1-CB 3.72Å; I152-L192 HydrophobicContact CG1-CB 4.34Å; I152-L192 HydrophobicContact CG1-CD1 4.16Å; I152-T195 HydrophobicContact CG2-CG2 4.47Å
153	H	85	Confident	83.9	Confident	161 Å²	161	35.2 Å²	35.2	75%	0.745	19%	0.188	S	C	*	.	H	α-helix	trans	-98.9	-6.5	179.9	-67.9	-60.9	0	0	0	114.6	E149 F150 L151	E149-H153 PolarHBondContact O-CD2 2.91Å; F150-H153 PolarHBondContact O-N 3.44Å; F150-H153 VanDerWaalsContact O-N 3.15Å; L151-H153 PolarHBondContact O-N 2.94Å; L151-H153 VanDerWaalsContact O-N 3.15Å
154	N	84.5	Confident	83.6	Confident	64 Å²	64	35.2 Å²	35.2	34%	0.342	19%	0.188	S	C	.	.			trans	-138	33.5	-171.7	-58.3	-102.8	0	0	0	112	F150 L151	F150-N154 HydrophobicContact CD1-CB 4.12Å; F150-N154 HydrophobicContact CE1-CB 3.56Å; F150-N154 HydrophobicContact CE2-CB 4.14Å; F150-N154 WeakPolarHBondContact CE2-ND2 3.3Å; F150-N154 HydrophobicContact CZ-CB 3.59Å; F150-N154 VanDerWaalsContact CZ-CG 3.5Å; F150-N154 WeakPolarHBondContact O-CB 3.45Å; F150-N154 PolarHBondContact O-N 3.44Å; F150-N154 VanDerWaalsContact O-N 3.1Å; F150-N154 PolarHBondContact O-ND2 3.18Å; L151-N154 CarbonylContact O-C 3.55Å; L151-N154 PolarHBondContact O-N 2.95Å; L151-N154 VanDerWaalsContact O-N 3.08Å
155	L	85.5	Confident	83	Confident	26 Å²	26	38.7 Å²	38.7	14%	0.136	20%	0.199	C	C	.	.			trans	-62.8	141.7	169.2	-69.6	-167.8	0	0	0	110.6	L151 L163 L192 T195 L196 Y199	L151-L155 HydrophobicContact CB-CD2 4.39Å; L151-L155 WeakPolarHBondContact O-CD2 3.28Å; L151-L155 VanDerWaalsContact O-CG 3.31Å; L151-L155 WeakPolarHBondContact O-CG 3.5Å; L151-L155 PolarHBondContact O-N 3Å; L155-L163 HydrophobicContact CD2-CD1 3.61Å; L155-L192 HydrophobicContact CD2-CD1 4.37Å; L155-T195 HydrophobicContact CD1-CG2 3.9Å; L155-T195 HydrophobicContact CG-CG2 4.48Å; L155-L196 HydrophobicContact CD1-CB 4.35Å; L155-L196 HydrophobicContact CD1-CD1 4.45Å; L155-Y199 HydrophobicContact CB-CD2 3.92Å; L155-Y199 HydrophobicContact CB-CE2 4.09Å; L155-Y199 HydrophobicContact CB-CG 4.33Å; L155-Y199 HydrophobicContact CD1-CD2 4.29Å; L155-Y199 HydrophobicContact CD1-CG 4.08Å
156	S	80.3	Confident	82.5	Confident	47 Å²	47	38.2 Å²	38.2	33%	0.329	19%	0.193	S	C	.	.			trans	-146.3	160.2	178.2	71.2	0	0	0	0	109.6	N158 S159 V160 Y199	S156-N158 PolarHBondContact O-N 3.44Å; S156-N158 VanDerWaalsContact O-N 3.12Å; S156-S159 PolarHBondContact N-OG 3.04Å; S156-S159 PolarHBondContact O-N 2.79Å; S156-S159 PolarHBondContact O-OG 3.25Å; S156-S159 VanDerWaalsContact O-OG 3.09Å; S156-S159 PolarHBondContact OG-N 2.73Å; S156-S159 PolarHBondContact OG-OG 3.05Å; S156-V160 PolarHBondContact O-N 2.86Å; S156-Y199 WeakPolarHBondContact CA-OH 3.43Å
157	I	74.5	Confident	82.2	Confident	51 Å²	51	37.8 Å²	37.8	26%	0.262	19%	0.19	S	C	.	.	H	α-helix	trans	-52.7	-36.1	175.1	-164.4	164.9	0	0	0	111.9	S159 V160 Y199 A206 I207 V214	I157-S159 PolarHBondContact O-N 2.95Å; I157-V160 WeakPolarHBondContact O-CG2 3.39Å; I157-Y199 PolarHBondContact N-OH 3.02Å; I157-A206 HydrophobicContact CD1-CB 4.14Å; I157-I207 HydrophobicContact CD1-CG1 4.47Å; I157-I207 HydrophobicContact CG1-CG1 4.22Å; I157-V214 HydrophobicContact CG1-CG1 4.31Å; I157-V214 WeakPolarHBondContact O-CG1 3.14Å; I157-V214 WeakPolarHBondContact O-CG2 3.37Å
158	N	71.8	Confident	81.6	Confident	57 Å²	57	42.5 Å²	42.5	31%	0.305	21%	0.212	S	C	.	.	H	α-helix	trans	-69.4	-29.4	179	-69.9	-8.9	0	0	0	113.7	S156	S156-N158 PolarHBondContact O-N 3.44Å; S156-N158 VanDerWaalsContact O-N 3.12Å
159	S	78	Confident	80.9	Confident	9 Å²	9	42.3 Å²	42.3	6%	0.063	21%	0.211	C	C	.	.	H	α-helix	trans	-89.2	-27.9	-178.2	50.5	0	0	0	0	114.2	S156 I157 G161 V162 L163	S156-S159 PolarHBondContact N-OG 3.04Å; S156-S159 PolarHBondContact O-N 2.79Å; S156-S159 PolarHBondContact O-OG 3.25Å; S156-S159 VanDerWaalsContact O-OG 3.09Å; S156-S159 PolarHBondContact OG-N 2.73Å; S156-S159 PolarHBondContact OG-OG 3.05Å; I157-S159 PolarHBondContact O-N 2.95Å; S159-G161 PolarHBondContact O-N 3.37Å; S159-V162 PolarHBondContact O-N 3.01Å; S159-L163 WeakPolarHBondContact O-CG 3.31Å; S159-L163 PolarHBondContact O-N 2.99Å; S159-L163 VanDerWaalsContact O-N 3.09Å
160	V	84.6	Confident	79.8	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-65.5	-35.2	-173.9	-63.1	0	0	0	0	114.3	S156 I157 V162 L163 C164 L196 Y199 L200 I207 V214 L430	S156-V160 PolarHBondContact O-N 2.86Å; I157-V160 WeakPolarHBondContact O-CG2 3.39Å; V160-V162 VanDerWaalsContact C-N 3.31Å; V160-V162 PolarHBondContact O-N 2.8Å; V160-L163 PolarHBondContact O-N 2.88Å; V160-C164 WeakPolarHBondContact O-CB 3.44Å; V160-C164 PolarHBondContact O-N 2.72Å; V160-C164 PolarHBondContact O-SG 3.14Å; V160-L196 HydrophobicContact CB-CD1 3.85Å; V160-L196 HydrophobicContact CG1-CD1 3.53Å; V160-Y199 HydrophobicContact CG1-CD1 3.58Å; V160-Y199 HydrophobicContact CG1-CE1 3.73Å; V160-Y199 HydrophobicContact CG1-CG 4.46Å; V160-L200 HydrophobicContact CB-CD2 4.48Å; V160-I207 HydrophobicContact CG2-CD1 3.97Å; V160-I207 HydrophobicContact CG2-CG1 4.32Å; V160-V214 HydrophobicContact CG2-CG1 3.96Å; V160-L430 HydrophobicContact CG2-CD2 4.35Å
161	G	76.8	Confident	78.3	Confident	17 Å²	17	39.4 Å²	39.4	18%	0.175	21%	0.211	C	C	.	.	H	α-helix	trans	-61.9	-38.4	177.3	0	0	0	0	0	112.7	S159	S159-G161 PolarHBondContact O-N 3.37Å
162	V	78.3	Confident	76.8	Confident	27 Å²	27	40.7 Å²	40.7	16%	0.164	22%	0.218	C	C	.	.	H	α-helix	trans	-70.2	-45	175.1	-177.2	0	0	0	0	110.8	P129 S159 V160 C164 R165 F166	P129-V162 HydrophobicContact CB-CB 3.98Å; P129-V162 HydrophobicContact CB-CG1 3.73Å; S159-V162 PolarHBondContact O-N 3.01Å; V160-V162 VanDerWaalsContact C-N 3.31Å; V160-V162 PolarHBondContact O-N 2.8Å; V162-C164 PolarHBondContact O-N 3.19Å; V162-R165 WeakPolarHBondContact O-CB 3.47Å; V162-R165 PolarHBondContact O-N 3.25Å; V162-F166 HydrophobicContact CG1-CD2 4.29Å; V162-F166 HydrophobicContact CG1-CE2 3.7Å; V162-F166 WeakPolarHBondContact O-CD2 3.45Å; V162-F166 WeakPolarHBondContact O-CE2 3.32Å
163	L	85.4	Confident	75.1	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-65.8	-37.2	-178.5	-66.2	172.7	0	0	0	113.1	P129 Y132 L151 L155 S159 V160 R165 F166 I167 L196	P129-L163 HydrophobicContact CB-CD2 4.02Å; P129-L163 HydrophobicContact CB-CG 4.27Å; Y132-L163 HydrophobicContact CD1-CD2 4.06Å; L151-L163 HydrophobicContact CD1-CD2 3.94Å; L151-L163 HydrophobicContact CD2-CD1 4.42Å; L155-L163 HydrophobicContact CD2-CD1 3.61Å; S159-L163 WeakPolarHBondContact O-CG 3.31Å; S159-L163 PolarHBondContact O-N 2.99Å; S159-L163 VanDerWaalsContact O-N 3.09Å; V160-L163 PolarHBondContact O-N 2.88Å; L163-R165 PolarHBondContact O-N 3.13Å; L163-F166 PolarHBondContact O-N 3.1Å; L163-I167 HydrophobicContact CB-CD1 4.28Å; L163-I167 HydrophobicContact CD2-CD1 4.37Å; L163-I167 PolarHBondContact O-N 2.97Å; L163-L196 HydrophobicContact CB-CD1 4.44Å; L163-L196 HydrophobicContact CB-CD2 3.91Å; L163-L196 HydrophobicContact CD1-CD1 4.5Å
164	C	80.9	Confident	73.3	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.2	-28.3	178.6	-71.1	0	0	0	0	113.4	V160 V162 F166 K425 G428 L430	V160-C164 WeakPolarHBondContact O-CB 3.44Å; V160-C164 PolarHBondContact O-N 2.72Å; V160-C164 PolarHBondContact O-SG 3.14Å; V162-C164 PolarHBondContact O-N 3.19Å; C164-F166 VanDerWaalsContact C-N 3.25Å; C164-F166 PolarHBondContact O-N 3.42Å; C164-K425 WeakPolarHBondContact O-CE 3.04Å; C164-K425 PolarHBondContact O-NZ 3.48Å; C164-G428 CarbonylContact C-O 3.53Å; C164-L430 HydrophobicContact CB-CB 4.44Å
165	R	76.6	Confident	71.3	Confident	106 Å²	106	45.4 Å²	45.4	40%	0.4	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-23.3	176.5	-168.8	174.6	175.4	161.7	0.8	113.1	V162 L163 G428 Y429	V162-R165 WeakPolarHBondContact O-CB 3.47Å; V162-R165 PolarHBondContact O-N 3.25Å; L163-R165 PolarHBondContact O-N 3.13Å; R165-G428 VanDerWaalsContact CA-O 3.31Å; R165-G428 WeakPolarHBondContact CA-O 3.46Å; R165-G428 PolarHBondContact N-O 2.8Å; R165-Y429 PolarHBondContact NH1-OH 2.71Å; R165-Y429 PolarHBondContact NH2-OH 2.77Å; R165-Y429 VanDerWaalsContact NH2-OH 3.14Å
166	F	76	Confident	69.2	Low	42 Å²	42	48.9 Å²	48.9	18%	0.184	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.7	-14	-168	-51.5	-48	0	0	0	114.8	F133 V162 L163 C164	F133-F166 HydrophobicContact CB-CD2 3.64Å; F133-F166 HydrophobicContact CB-CE2 3.68Å; F133-F166 HydrophobicContact CB-CG 4.15Å; F133-F166 HydrophobicContact CB-CZ 4.24Å; F133-F166 HydrophobicContact CD1-CD1 4.23Å; F133-F166 HydrophobicContact CD1-CD2 4.4Å; F133-F166 AromaticContact CD1-CE1 3.74Å; F133-F166 HydrophobicContact CD1-CE1 3.74Å; F133-F166 AromaticContact CD1-CE2 3.93Å; F133-F166 HydrophobicContact CD1-CE2 3.93Å; F133-F166 AromaticContact CD1-CZ 3.57Å; F133-F166 HydrophobicContact CD1-CZ 3.57Å; F133-F166 HydrophobicContact CD2-CB 3.75Å; F133-F166 AromaticContact CD2-CD1 3.28Å; F133-F166 HydrophobicContact CD2-CD1 3.28Å; F133-F166 AromaticContact CD2-CD2 3.72Å; F133-F166 HydrophobicContact CD2-CD2 3.72Å; F133-F166 AromaticContact CD2-CE1 3.68Å; F133-F166 HydrophobicContact CD2-CE1 3.68Å; F133-F166 HydrophobicContact CD2-CE2 4.07Å; F133-F166 AromaticContact CD2-CG 3.29Å; F133-F166 HydrophobicContact CD2-CG 3.29Å; F133-F166 HydrophobicContact CD2-CZ 4.05Å; F133-F166 HydrophobicContact CE1-CD1 4.19Å; F133-F166 AromaticContact CE1-CE1 3.62Å; F133-F166 HydrophobicContact CE1-CE1 3.62Å; F133-F166 AromaticContact CE1-CZ 3.86Å; F133-F166 HydrophobicContact CE1-CZ 3.86Å; F133-F166 HydrophobicContact CE2-CB 4.25Å; F133-F166 AromaticContact CE2-CD1 3.22Å; F133-F166 HydrophobicContact CE2-CD1 3.22Å; F133-F166 HydrophobicContact CE2-CD2 4.5Å; F133-F166 AromaticContact CE2-CE1 3.55Å; F133-F166 HydrophobicContact CE2-CE1 3.55Å; F133-F166 AromaticContact CE2-CG 3.76Å; F133-F166 HydrophobicContact CE2-CG 3.76Å; F133-F166 HydrophobicContact CE2-CZ 4.31Å; F133-F166 AromaticContact CG-CD1 3.8Å; F133-F166 HydrophobicContact CG-CD1 3.8Å; F133-F166 AromaticContact CG-CD2 3.65Å; F133-F166 HydrophobicContact CG-CD2 3.65Å; F133-F166 AromaticContact CG-CE1 3.77Å; F133-F166 HydrophobicContact CG-CE1 3.77Å; F133-F166 AromaticContact CG-CE2 3.6Å; F133-F166 HydrophobicContact CG-CE2 3.6Å; F133-F166 AromaticContact CG-CG 3.74Å; F133-F166 HydrophobicContact CG-CG 3.74Å; F133-F166 AromaticContact CG-CZ 3.66Å; F133-F166 HydrophobicContact CG-CZ 3.66Å; F133-F166 AromaticContact CZ-CD1 3.71Å; F133-F166 HydrophobicContact CZ-CD1 3.71Å; F133-F166 AromaticContact CZ-CE1 3.51Å; F133-F166 HydrophobicContact CZ-CE1 3.51Å; F133-F166 HydrophobicContact CZ-CZ 4.22Å; V162-F166 HydrophobicContact CG1-CD2 4.29Å; V162-F166 HydrophobicContact CG1-CE2 3.7Å; V162-F166 WeakPolarHBondContact O-CD2 3.45Å; V162-F166 WeakPolarHBondContact O-CE2 3.32Å; L163-F166 PolarHBondContact O-N 3.1Å; C164-F166 VanDerWaalsContact C-N 3.25Å; C164-F166 PolarHBondContact O-N 3.42Å
167	I	79.4	Confident	67.2	Low	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.287	C	S	.	.			trans	-106.9	133.2	179.7	-67.9	178.6	0	0	0	109.7	Y132 L163 L192 T193 L196 K425	Y132-I167 HydrophobicContact CE1-CD1 4.41Å; Y132-I167 HydrophobicContact CE1-CG1 4.41Å; L163-I167 HydrophobicContact CB-CD1 4.28Å; L163-I167 HydrophobicContact CD2-CD1 4.37Å; L163-I167 PolarHBondContact O-N 2.97Å; I167-L192 HydrophobicContact CD1-CD2 3.69Å; I167-L192 HydrophobicContact CD1-CG 3.8Å; I167-T193 HydrophobicContact CG2-CG2 3.75Å; I167-T193 VanDerWaalsContact CG2-OG1 3.28Å; I167-T193 WeakPolarHBondContact CG2-OG1 3.42Å; I167-L196 HydrophobicContact CB-CD2 4.25Å; I167-L196 HydrophobicContact CD1-CD2 3.96Å; I167-L196 HydrophobicContact CG2-CD2 4.24Å; I167-K425 PolarHBondContact O-NZ 3.08Å
168	Q	76.1	Confident	65.3	Low	100 Å²	100	58.3 Å²	58.3	47%	0.467	31%	0.307	S	S	.	.			trans	-101.2	139.9	175.9	-62.1	-178.9	7.8	0	0	110.9	T193 E405	Q168-T193 WeakPolarHBondContact O-CG2 3.39Å; Q168-E405 WeakPolarHBondContact CA-OE2 3.45Å
169	F	75.6	Confident	63.5	Low	0 Å²	0	62.8 Å²	62.8	0%	0	32%	0.324	C	S	.	.			trans	-96.5	-12.1	-178.8	-62.3	-74.4	0	0	0	113.9	G171 V172 T193 L196 H197 L200 T394 E405 L409 K425	F169-G171 PolarHBondContact O-N 3.19Å; F169-V172 HydrophobicContact CD1-CG2 4.4Å; F169-V172 WeakPolarHBondContact O-CB 3.36Å; F169-V172 WeakPolarHBondContact O-CG2 3.37Å; F169-V172 PolarHBondContact O-N 3.45Å; F169-T193 HydrophobicContact CD1-CG2 3.74Å; F169-T193 HydrophobicContact CE1-CG2 4.1Å; F169-L196 HydrophobicContact CE1-CD2 4.26Å; F169-L196 HydrophobicContact CE1-CG 4.31Å; F169-L196 HydrophobicContact CZ-CD2 3.84Å; F169-L196 HydrophobicContact CZ-CG 4.1Å; F169-H197 HydrophobicContact CD1-CB 4.07Å; F169-H197 AromaticContact CD1-CD2 3.9Å; F169-H197 HydrophobicContact CE1-CB 3.91Å; F169-L200 HydrophobicContact CE1-CD1 4.11Å; F169-L200 HydrophobicContact CE2-CD1 4.2Å; F169-L200 HydrophobicContact CZ-CD1 3.47Å; F169-L200 VanDerWaalsContact CZ-CD1 3.47Å; F169-T394 HydrophobicContact CB-CG2 3.88Å; F169-E405 WeakPolarHBondContact CA-OE1 3.43Å; F169-E405 VanDerWaalsContact N-CD 3.34Å; F169-E405 PolarHBondContact N-OE1 2.99Å; F169-E405 PolarHBondContact N-OE2 2.83Å; F169-L409 HydrophobicContact CD2-CD2 4.05Å; F169-L409 HydrophobicContact CE2-CD2 3.99Å; F169-K425 HydrophobicContact CD2-CD 4.19Å; F169-K425 HydrophobicContact CE2-CD 4.1Å
170	S	62.8	Low	61.3	Low	45 Å²	45	67.6 Å²	67.6	32%	0.315	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-42.6	-33.3	175.5	58.4	0	0	0	0	115.7	E405	S170-E405 PolarHBondContact N-OE1 2.9Å
171	G	56.2	Low	58.9	Low	29 Å²	29	72 Å²	72	30%	0.299	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-11.9	178.5	0	0	0	0	0	116.4	F169 Y173	F169-G171 PolarHBondContact O-N 3.19Å; G171-Y173 VanDerWaalsContact C-N 3.26Å; G171-Y173 PolarHBondContact O-N 2.98Å
172	V	58.7	Low	57.1	Low	29 Å²	29	75.3 Å²	75.3	18%	0.176	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-27.4	-175.9	177.7	0	0	0	0	111.9	F169 T193	F169-V172 HydrophobicContact CD1-CG2 4.4Å; F169-V172 WeakPolarHBondContact O-CB 3.36Å; F169-V172 WeakPolarHBondContact O-CG2 3.37Å; F169-V172 PolarHBondContact O-N 3.45Å; V172-T193 HydrophobicContact CG2-CG2 3.48Å; V172-T193 VanDerWaalsContact CG2-CG2 3.48Å
173	Y	50.1	Low	55.5	Low	97 Å²	97	79.7 Å²	79.7	38%	0.38	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-8.2	-164.3	-74.1	-89.8	0	0	0	115.8	G171 H197 T394	G171-Y173 VanDerWaalsContact C-N 3.26Å; G171-Y173 PolarHBondContact O-N 2.98Å; Y173-H197 PolarHBondContact OH-CE1 3.05Å; Y173-H197 PolarHBondContact OH-NE2 3.19Å; Y173-H197 VanDerWaalsContact OH-NE2 3.08Å; Y173-T394 VanDerWaalsContact CE2-CB 3.47Å; Y173-T394 HydrophobicContact CE2-CG2 4.08Å; Y173-T394 VanDerWaalsContact OH-CB 3.31Å; Y173-T394 WeakPolarHBondContact OH-CB 3.46Å; Y173-T394 PolarHBondContact OH-OG1 3.18Å
174	Q	48.4	Very low	53.8	Low	159 Å²	159	89.2 Å²	89.2	74%	0.743	48%	0.482	S	S	*	.	S	Bend	trans	-83.5	-17.9	-171.9	-65.6	-174.2	-12.1	0	0	114.2
175	N	41.1	Very low	52.6	Low	112 Å²	112	94 Å²	94	60%	0.599	52%	0.516	S	S	*	.			trans	-120.1	38.9	-167.2	-66.3	4.7	0	0	0	114.1
176	S	41.5	Very low	52	Low	99 Å²	99	93.2 Å²	93.2	69%	0.692	51%	0.513	S	S	*	.	S	Bend	trans	-81.8	-18.7	179.7	62.5	0	0	0	0	115.1
177	N	37.8	Very low	52.1	Low	152 Å²	152	95 Å²	95	81%	0.813	53%	0.529	S	S	*	.	S	Bend	trans	-106.3	1.2	-168.4	-72.6	2.6	0	0	0	115
178	E	34.5	Very low	52.1	Low	145 Å²	145	97.8 Å²	97.8	68%	0.678	55%	0.547	S	S	*	.	S	Bend	trans	-134.4	164.1	175.6	-64.4	-167.9	155.8	0	0	111.3
179	F	33.9	Very low	52.4	Low	151 Å²	151	96.5 Å²	96.5	66%	0.662	54%	0.541	S	S	*	.			trans	68.7	62.1	175.1	-61.8	-84	0	0	0	118	T181	F179-T181 PolarHBondContact O-N 2.82Å
180	A	32.2	Very low	52.7	Low	110 Å²	110	98.7 Å²	98.7	91%	0.909	55%	0.552	S	S	*	*			trans	-71.6	48.1	157.2	0	0	0	0	0	113.1
181	T	34.4	Very low	53.7	Low	91 Å²	91	98.6 Å²	98.6	56%	0.558	55%	0.551	S	S	*	*	S	Bend	trans	-143.6	83.5	-170.7	34.7	0	0	0	0	114.8	F179	F179-T181 PolarHBondContact O-N 2.82Å
182	S	38.8	Very low	55.2	Low	87 Å²	87	97.2 Å²	97.2	61%	0.608	54%	0.536	S	S	*	.			trans	71	143.7	164.8	85.3	0	0	0	0	118.4	K184	S182-K184 PolarHBondContact O-N 3.01Å; S182-K184 VanDerWaalsContact O-N 3.16Å
183	P	45.7	Very low	56.4	Low	119 Å²	119	96.1 Å²	96.1	77%	0.773	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-71	-4.1	-179.8	-21.7	34.5	0	0	0	116.8	S185	P183-S185 PolarHBondContact O-N 3.43Å
184	K	48.5	Very low	58	Low	201 Å²	201	95 Å²	95	87%	0.874	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-91.2	8.2	-163.9	-68.2	-169.3	174.3	-173.3	0	115.8	S182	S182-K184 PolarHBondContact O-N 3.01Å; S182-K184 VanDerWaalsContact O-N 3.16Å
185	S	56.6	Low	59.7	Low	100 Å²	100	89.7 Å²	89.7	70%	0.699	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-109.5	1.5	-168.8	-164.2	0	0	0	0	115.8	P183	P183-S185 PolarHBondContact O-N 3.43Å
186	Y	63.1	Low	62	Low	89 Å²	89	84.3 Å²	84.3	35%	0.349	48%	0.477	S	S	.	.	S	Bend	trans	-93.2	142.1	-176.8	-68.6	-78.6	0	0	0	112	M190 K194	Y186-M190 HydrophobicContact CD1-CG 3.89Å; Y186-K194 VanDerWaalsContact CE1-NZ 3.26Å; Y186-K194 PolarHBondContact OH-NZ 3.01Å
187	P	78.5	Confident	64	Low	80 Å²	80	80.5 Å²	80.5	52%	0.519	45%	0.448	S	S	.	.			trans	-66.1	148	172	28.2	-33.3	0	0	0	110.3	E189 M190 C191	P187-E189 VanDerWaalsContact C-N 3.28Å; P187-E189 PolarHBondContact O-N 3.2Å; P187-E189 VanDerWaalsContact O-N 3.15Å; P187-M190 HydrophobicContact CG-CB 3.82Å; P187-M190 WeakPolarHBondContact O-CB 3.14Å; P187-M190 PolarHBondContact O-N 3.11Å; P187-C191 PolarHBondContact O-N 2.89Å
188	P	79.5	Confident	66.1	Low	58 Å²	58	78.8 Å²	78.8	38%	0.377	44%	0.435	S	S	.	.	H	α-helix	trans	-54.4	-39.7	-172.2	-28.5	35.6	0	0	0	114.2	T145 I148 M190 C191 L192	T145-P188 HydrophobicContact CG2-CG 4.3Å; I148-P188 HydrophobicContact CB-CB 4.41Å; I148-P188 HydrophobicContact CD1-CB 3.91Å; I148-P188 HydrophobicContact CG2-CB 3.72Å; I148-P188 WeakPolarHBondContact CG2-O 3.45Å; P188-M190 PolarHBondContact O-N 2.98Å; P188-C191 WeakPolarHBondContact O-CB 3.43Å; P188-C191 PolarHBondContact O-N 2.74Å; P188-C191 VanDerWaalsContact O-N 3.14Å; P188-L192 PolarHBondContact O-N 2.86Å
189	E	81.5	Confident	68.5	Low	74 Å²	74	74.5 Å²	74.5	35%	0.346	41%	0.413	S	S	.	.	H	α-helix	trans	-59.2	-43.3	176.9	-175.9	177.9	-163.6	0	0	112.3	K136 P187 C191 L192 T193	K136-E189 IonicContact NZ-OE1 2.91Å; K136-E189 PolarHBondContact NZ-OE1 3.31Å; P187-E189 VanDerWaalsContact C-N 3.28Å; P187-E189 PolarHBondContact O-N 3.2Å; P187-E189 VanDerWaalsContact O-N 3.15Å; E189-C191 VanDerWaalsContact C-N 3.28Å; E189-C191 PolarHBondContact O-N 2.87Å; E189-L192 PolarHBondContact O-N 3.09Å; E189-L192 VanDerWaalsContact O-N 3.14Å; E189-T193 PolarHBondContact O-N 2.86Å; E189-T193 PolarHBondContact O-OG1 2.8Å
190	M	81.9	Confident	71	Confident	46 Å²	46	67.3 Å²	67.3	23%	0.227	38%	0.382	C	S	.	.	H	α-helix	trans	-65.2	-32.2	177.4	-179.8	59.5	66.7	0	0	112	Y186 P187 P188 K194	Y186-M190 HydrophobicContact CD1-CG 3.89Å; P187-M190 HydrophobicContact CG-CB 3.82Å; P187-M190 WeakPolarHBondContact O-CB 3.14Å; P187-M190 PolarHBondContact O-N 3.11Å; P188-M190 PolarHBondContact O-N 2.98Å; M190-K194 HydrophobicContact CG-CD 4.42Å; M190-K194 WeakPolarHBondContact O-CB 3.07Å; M190-K194 WeakPolarHBondContact O-CG 3.09Å; M190-K194 PolarHBondContact O-N 2.89Å; M190-K194 HydrophobicContact SD-CD 4.41Å; M190-K194 HydrophobicContact SD-CG 4.26Å
191	C	83.9	Confident	73.3	Confident	42 Å²	42	65 Å²	65	28%	0.284	35%	0.353	S	S	.	.	H	α-helix	trans	-64.9	-47.7	171.2	-63.7	0	0	0	0	110.8	I152 P187 P188 E189 T193 K194 T195	I152-C191 HydrophobicContact CD1-CB 3.72Å; P187-C191 PolarHBondContact O-N 2.89Å; P188-C191 WeakPolarHBondContact O-CB 3.43Å; P188-C191 PolarHBondContact O-N 2.74Å; P188-C191 VanDerWaalsContact O-N 3.14Å; E189-C191 VanDerWaalsContact C-N 3.28Å; E189-C191 PolarHBondContact O-N 2.87Å; C191-T193 PolarHBondContact O-N 3.25Å; C191-K194 PolarHBondContact O-N 2.9Å; C191-T195 PolarHBondContact O-N 2.86Å; C191-T195 PolarHBondContact O-OG1 3.04Å; C191-T195 VanDerWaalsContact O-OG1 3.07Å
192	L	87.8	Confident	75.5	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-61.5	-43.4	176.6	-177	59.2	0	0	0	112.1	Y132 I148 L151 I152 L155 I167 P188 E189 K194 T195 L196	Y132-L192 HydrophobicContact CE1-CD2 4.27Å; I148-L192 HydrophobicContact CG1-CD2 3.95Å; I148-L192 HydrophobicContact CG2-CB 4.18Å; L151-L192 HydrophobicContact CB-CD1 3.74Å; L151-L192 HydrophobicContact CD1-CD2 4.17Å; I152-L192 HydrophobicContact CG1-CB 4.34Å; I152-L192 HydrophobicContact CG1-CD1 4.16Å; L155-L192 HydrophobicContact CD2-CD1 4.37Å; I167-L192 HydrophobicContact CD1-CD2 3.69Å; I167-L192 HydrophobicContact CD1-CG 3.8Å; P188-L192 PolarHBondContact O-N 2.86Å; E189-L192 PolarHBondContact O-N 3.09Å; E189-L192 VanDerWaalsContact O-N 3.14Å; L192-K194 PolarHBondContact O-N 2.78Å; L192-T195 PolarHBondContact O-N 2.9Å; L192-L196 VanDerWaalsContact O-CB 3.24Å; L192-L196 WeakPolarHBondContact O-CB 3.36Å; L192-L196 PolarHBondContact O-N 2.55Å
193	T	85	Confident	77.5	Confident	6 Å²	6	62.5 Å²	62.5	4%	0.037	33%	0.332	C	S	.	.	H	α-helix	trans	-60.5	-44.7	176.5	-54.8	0	0	0	0	111.6	I167 Q168 F169 V172 E189 C191 H197	I167-T193 HydrophobicContact CG2-CG2 3.75Å; I167-T193 VanDerWaalsContact CG2-OG1 3.28Å; I167-T193 WeakPolarHBondContact CG2-OG1 3.42Å; Q168-T193 WeakPolarHBondContact O-CG2 3.39Å; F169-T193 HydrophobicContact CD1-CG2 3.74Å; F169-T193 HydrophobicContact CE1-CG2 4.1Å; V172-T193 HydrophobicContact CG2-CG2 3.48Å; V172-T193 VanDerWaalsContact CG2-CG2 3.48Å; E189-T193 PolarHBondContact O-N 2.86Å; E189-T193 PolarHBondContact O-OG1 2.8Å; C191-T193 PolarHBondContact O-N 3.25Å; T193-H197 WeakPolarHBondContact O-CB 3.49Å; T193-H197 PolarHBondContact O-N 2.94Å
194	K	82.8	Confident	79.1	Confident	73 Å²	73	57.1 Å²	57.1	32%	0.317	30%	0.297	S	S	.	.	H	α-helix	trans	-65.6	-42.8	176.7	-76	-179.7	175.3	-174.2	0	112.4	Y186 M190 C191 L192 H197 Q198	Y186-K194 VanDerWaalsContact CE1-NZ 3.26Å; Y186-K194 PolarHBondContact OH-NZ 3.01Å; M190-K194 HydrophobicContact CG-CD 4.42Å; M190-K194 WeakPolarHBondContact O-CB 3.07Å; M190-K194 WeakPolarHBondContact O-CG 3.09Å; M190-K194 PolarHBondContact O-N 2.89Å; M190-K194 HydrophobicContact SD-CD 4.41Å; M190-K194 HydrophobicContact SD-CG 4.26Å; C191-K194 PolarHBondContact O-N 2.9Å; L192-K194 PolarHBondContact O-N 2.78Å; K194-H197 PolarHBondContact O-N 2.59Å; K194-Q198 WeakPolarHBondContact O-CB 3.12Å; K194-Q198 PolarHBondContact O-N 2.8Å
195	T	85.7	Confident	80.2	Confident	48 Å²	48	48.6 Å²	48.6	29%	0.294	26%	0.262	S	S	.	.	H	α-helix	trans	-66.4	-41.3	177.4	-57.8	0	0	0	0	111.7	I152 L155 C191 L192 Y199	I152-T195 HydrophobicContact CG2-CG2 4.47Å; L155-T195 HydrophobicContact CD1-CG2 3.9Å; L155-T195 HydrophobicContact CG-CG2 4.48Å; C191-T195 PolarHBondContact O-N 2.86Å; C191-T195 PolarHBondContact O-OG1 3.04Å; C191-T195 VanDerWaalsContact O-OG1 3.07Å; L192-T195 PolarHBondContact O-N 2.9Å; T195-Y199 WeakPolarHBondContact O-CB 3.22Å; T195-Y199 PolarHBondContact O-N 2.96Å
196	L	87.7	Confident	81	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.1	-44.5	173.9	176.1	63.2	0	0	0	111.6	L155 V160 L163 I167 F169 L192 Y199 L200	L155-L196 HydrophobicContact CD1-CB 4.35Å; L155-L196 HydrophobicContact CD1-CD1 4.45Å; V160-L196 HydrophobicContact CB-CD1 3.85Å; V160-L196 HydrophobicContact CG1-CD1 3.53Å; L163-L196 HydrophobicContact CB-CD1 4.44Å; L163-L196 HydrophobicContact CB-CD2 3.91Å; L163-L196 HydrophobicContact CD1-CD1 4.5Å; I167-L196 HydrophobicContact CB-CD2 4.25Å; I167-L196 HydrophobicContact CD1-CD2 3.96Å; I167-L196 HydrophobicContact CG2-CD2 4.24Å; F169-L196 HydrophobicContact CE1-CD2 4.26Å; F169-L196 HydrophobicContact CE1-CG 4.31Å; F169-L196 HydrophobicContact CZ-CD2 3.84Å; F169-L196 HydrophobicContact CZ-CG 4.1Å; L192-L196 VanDerWaalsContact O-CB 3.24Å; L192-L196 WeakPolarHBondContact O-CB 3.36Å; L192-L196 PolarHBondContact O-N 2.55Å; L196-Y199 PolarHBondContact O-N 2.88Å; L196-L200 HydrophobicContact CD1-CD1 4.09Å; L196-L200 HydrophobicContact CD1-CG 4.14Å; L196-L200 HydrophobicContact CG-CD1 3.85Å; L196-L200 HydrophobicContact CG-CG 4.37Å; L196-L200 WeakPolarHBondContact O-CB 3.36Å; L196-L200 VanDerWaalsContact O-CG 3.24Å; L196-L200 WeakPolarHBondContact O-CG 3.22Å; L196-L200 PolarHBondContact O-N 3.24Å
197	H	83.6	Confident	81.8	Confident	19 Å²	19	40.1 Å²	40.1	9%	0.088	22%	0.216	C	C	.	.	H	α-helix	trans	-60.8	-47.6	178	-175.4	-106.3	0	0	0	112.1	F169 Y173 T193 K194 Y199 L200 L201 T394	F169-H197 HydrophobicContact CD1-CB 4.07Å; F169-H197 AromaticContact CD1-CD2 3.9Å; F169-H197 HydrophobicContact CE1-CB 3.91Å; Y173-H197 PolarHBondContact OH-CE1 3.05Å; Y173-H197 PolarHBondContact OH-NE2 3.19Å; Y173-H197 VanDerWaalsContact OH-NE2 3.08Å; T193-H197 WeakPolarHBondContact O-CB 3.49Å; T193-H197 PolarHBondContact O-N 2.94Å; K194-H197 PolarHBondContact O-N 2.59Å; H197-Y199 VanDerWaalsContact C-N 3.31Å; H197-Y199 PolarHBondContact O-N 3.45Å; H197-L200 PolarHBondContact O-N 3.11Å; H197-L201 PolarHBondContact O-N 2.89Å; H197-T394 PolarHBondContact NE2-OG1 2.78Å
198	Q	82.5	Confident	81.7	Confident	115 Å²	115	36.4 Å²	36.4	54%	0.537	19%	0.192	S	C	.	.	H	α-helix	trans	-60.8	-39.4	174.1	-176	61.7	55.1	0	0	112.1	K194 L201 T202	K194-Q198 WeakPolarHBondContact O-CB 3.12Å; K194-Q198 PolarHBondContact O-N 2.8Å; Q198-L201 PolarHBondContact O-N 3.18Å; Q198-T202 PolarHBondContact NE2-OG1 2.96Å; Q198-T202 WeakPolarHBondContact O-CB 3.16Å; Q198-T202 PolarHBondContact O-N 3.17Å; Q198-T202 PolarHBondContact O-OG1 2.69Å
199	Y	85.5	Confident	81.1	Confident	55 Å²	55	34.1 Å²	34.1	22%	0.216	18%	0.177	C	C	.	.	H	α-helix	trans	-65.6	-44.1	176.5	-169.5	-82.3	0	0	0	111.8	L155 S156 I157 V160 T195 L196 H197 L201 T202 E203 I207	L155-Y199 HydrophobicContact CB-CD2 3.92Å; L155-Y199 HydrophobicContact CB-CE2 4.09Å; L155-Y199 HydrophobicContact CB-CG 4.33Å; L155-Y199 HydrophobicContact CD1-CD2 4.29Å; L155-Y199 HydrophobicContact CD1-CG 4.08Å; S156-Y199 WeakPolarHBondContact CA-OH 3.43Å; I157-Y199 PolarHBondContact N-OH 3.02Å; V160-Y199 HydrophobicContact CG1-CD1 3.58Å; V160-Y199 HydrophobicContact CG1-CE1 3.73Å; V160-Y199 HydrophobicContact CG1-CG 4.46Å; T195-Y199 WeakPolarHBondContact O-CB 3.22Å; T195-Y199 PolarHBondContact O-N 2.96Å; L196-Y199 PolarHBondContact O-N 2.88Å; H197-Y199 VanDerWaalsContact C-N 3.31Å; H197-Y199 PolarHBondContact O-N 3.45Å; Y199-L201 VanDerWaalsContact C-N 3.3Å; Y199-L201 PolarHBondContact O-N 2.91Å; Y199-T202 PolarHBondContact O-N 3.39Å; Y199-E203 HydrophobicContact CD1-CB 4.32Å; Y199-E203 HydrophobicContact CD1-CG 4.35Å; Y199-E203 HydrophobicContact CE1-CB 4.06Å; Y199-E203 HydrophobicContact CE1-CG 4.01Å; Y199-E203 HydrophobicContact CE2-CG 4.19Å; Y199-E203 WeakPolarHBondContact O-CB 3.46Å; Y199-E203 PolarHBondContact O-N 2.88Å; Y199-I207 HydrophobicContact CD1-CD1 4.27Å; Y199-I207 HydrophobicContact CE1-CD1 4.25Å
200	L	85.8	Confident	80.5	Confident	1 Å²	1	31 Å²	31	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-61.1	-36.1	176.5	-71.6	163.7	0	0	0	112.7	V160 F169 L196 H197 A204 I207 L409 L423 L430	V160-L200 HydrophobicContact CB-CD2 4.48Å; F169-L200 HydrophobicContact CE1-CD1 4.11Å; F169-L200 HydrophobicContact CE2-CD1 4.2Å; F169-L200 HydrophobicContact CZ-CD1 3.47Å; F169-L200 VanDerWaalsContact CZ-CD1 3.47Å; L196-L200 HydrophobicContact CD1-CD1 4.09Å; L196-L200 HydrophobicContact CD1-CG 4.14Å; L196-L200 HydrophobicContact CG-CD1 3.85Å; L196-L200 HydrophobicContact CG-CG 4.37Å; L196-L200 WeakPolarHBondContact O-CB 3.36Å; L196-L200 VanDerWaalsContact O-CG 3.24Å; L196-L200 WeakPolarHBondContact O-CG 3.22Å; L196-L200 PolarHBondContact O-N 3.24Å; H197-L200 PolarHBondContact O-N 3.11Å; L200-A204 WeakPolarHBondContact O-CA 3.43Å; L200-A204 WeakPolarHBondContact O-CB 3.48Å; L200-A204 PolarHBondContact O-N 3.34Å; L200-I207 HydrophobicContact CD2-CD1 3.96Å; L200-L409 HydrophobicContact CD1-CD1 4.19Å; L200-L409 HydrophobicContact CD1-CD2 4.43Å; L200-L409 HydrophobicContact CD2-CD1 4.45Å; L200-L423 HydrophobicContact CD2-CD2 4.12Å; L200-L430 HydrophobicContact CD2-CD1 4.13Å; L200-L430 HydrophobicContact CD2-CD2 4.27Å
201	L	80.9	Confident	79.5	Confident	60 Å²	60	33.5 Å²	33.5	31%	0.314	18%	0.175	S	C	.	.	H	α-helix	trans	-71.9	-40.9	173.6	-75	168.6	0	0	0	112.7	H197 Q198 Y199 L393 L409 A410	H197-L201 PolarHBondContact O-N 2.89Å; Q198-L201 PolarHBondContact O-N 3.18Å; Y199-L201 VanDerWaalsContact C-N 3.3Å; Y199-L201 PolarHBondContact O-N 2.91Å; L201-L393 HydrophobicContact CD2-CD1 4.2Å; L201-L409 VanDerWaalsContact CD2-O 3.25Å; L201-L409 WeakPolarHBondContact CD2-O 3.08Å; L201-A410 HydrophobicContact CD2-CB 4.18Å
202	T	79.7	Confident	78.3	Confident	86 Å²	86	34.3 Å²	34.3	53%	0.528	18%	0.178	S	C	.	.	H	α-helix	trans	-76.7	-40.3	-174.3	-49.4	0	0	0	0	111.8	Q198 Y199	Q198-T202 PolarHBondContact NE2-OG1 2.96Å; Q198-T202 WeakPolarHBondContact O-CB 3.16Å; Q198-T202 PolarHBondContact O-N 3.17Å; Q198-T202 PolarHBondContact O-OG1 2.69Å; Y199-T202 PolarHBondContact O-N 3.39Å
203	E	80.5	Confident	76.7	Confident	41 Å²	41	35.5 Å²	35.5	19%	0.192	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	23.2	-178.4	-62.4	-59.3	147.6	0	0	112.5	Y199 D205 A206 I207	Y199-E203 HydrophobicContact CD1-CB 4.32Å; Y199-E203 HydrophobicContact CD1-CG 4.35Å; Y199-E203 HydrophobicContact CE1-CB 4.06Å; Y199-E203 HydrophobicContact CE1-CG 4.01Å; Y199-E203 HydrophobicContact CE2-CG 4.19Å; Y199-E203 WeakPolarHBondContact O-CB 3.46Å; Y199-E203 PolarHBondContact O-N 2.88Å; E203-D205 VanDerWaalsContact C-N 3.33Å; E203-D205 PolarHBondContact O-N 3.48Å; E203-A206 HydrophobicContact CB-CB 4.14Å; E203-A206 WeakPolarHBondContact O-CA 3.11Å; E203-A206 VanDerWaalsContact O-CB 3.27Å; E203-A206 WeakPolarHBondContact O-CB 3.41Å; E203-A206 PolarHBondContact O-N 3.39Å; E203-I207 HydrophobicContact CB-CD1 4.07Å; E203-I207 HydrophobicContact CB-CG1 4.35Å; E203-I207 VanDerWaalsContact O-CG1 3.3Å; E203-I207 WeakPolarHBondContact O-CG1 3.28Å; E203-I207 PolarHBondContact O-N 2.95Å
204	A	80	Confident	76.1	Confident	5 Å²	5	35.4 Å²	35.4	4%	0.041	19%	0.19	C	C	.	.	H	α-helix	trans	-53	-46.7	-175.7	0	0	0	0	0	113.1	L200 A206 I207 A208 A410	L200-A204 WeakPolarHBondContact O-CA 3.43Å; L200-A204 WeakPolarHBondContact O-CB 3.48Å; L200-A204 PolarHBondContact O-N 3.34Å; A204-A206 VanDerWaalsContact C-N 3.35Å; A204-A206 PolarHBondContact O-N 3.21Å; A204-I207 PolarHBondContact O-N 3.24Å; A204-A208 WeakPolarHBondContact O-CB 3.39Å; A204-A208 PolarHBondContact O-N 3.14Å; A204-A410 HydrophobicContact CB-CB 3.49Å; A204-A410 VanDerWaalsContact CB-CB 3.49Å
205	D	71.9	Confident	75.7	Confident	23 Å²	23	32 Å²	32	12%	0.123	18%	0.175	C	C	.	.	H	α-helix	trans	-64.8	-37.3	177.7	-70.9	-2.3	0	0	0	112	E203 T412 S413 I535	E203-D205 VanDerWaalsContact C-N 3.33Å; E203-D205 PolarHBondContact O-N 3.48Å; D205-T412 WeakPolarHBondContact OD1-CA 3.3Å; D205-T412 WeakPolarHBondContact OD1-CB 3.09Å; D205-S413 PolarHBondContact OD1-N 3.33Å; D205-S413 WeakPolarHBondContact OD2-CB 3.3Å; D205-S413 PolarHBondContact OD2-N 3.5Å; D205-S413 PolarHBondContact OD2-OG 2.94Å; D205-I535 HydrophobicContact CB-CG2 4.15Å; D205-I535 WeakPolarHBondContact OD2-CG2 3.33Å
206	A	73.9	Confident	75	Confident	10 Å²	10	30.4 Å²	30.4	8%	0.083	17%	0.166	C	C	.	.	H	α-helix	trans	-63.5	-48.8	177.1	0	0	0	0	0	111.2	I157 E203 A204 S210 V536	I157-A206 HydrophobicContact CD1-CB 4.14Å; E203-A206 HydrophobicContact CB-CB 4.14Å; E203-A206 WeakPolarHBondContact O-CA 3.11Å; E203-A206 VanDerWaalsContact O-CB 3.27Å; E203-A206 WeakPolarHBondContact O-CB 3.41Å; E203-A206 PolarHBondContact O-N 3.39Å; A204-A206 VanDerWaalsContact C-N 3.35Å; A204-A206 PolarHBondContact O-N 3.21Å; A206-S210 PolarHBondContact O-N 2.92Å; A206-S210 VanDerWaalsContact O-N 3.13Å; A206-V536 VanDerWaalsContact CA-CG2 3.43Å; A206-V536 HydrophobicContact CB-CB 4.45Å; A206-V536 HydrophobicContact CB-CG1 4.27Å; A206-V536 HydrophobicContact CB-CG2 3.29Å
207	I	80.3	Confident	74.3	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-71.5	-47.3	-173.3	-65.2	167.9	0	0	0	109.9	I157 V160 Y199 L200 E203 A204 C209 S210 V214 L215 L423 L430	I157-I207 HydrophobicContact CD1-CG1 4.47Å; I157-I207 HydrophobicContact CG1-CG1 4.22Å; V160-I207 HydrophobicContact CG2-CD1 3.97Å; V160-I207 HydrophobicContact CG2-CG1 4.32Å; Y199-I207 HydrophobicContact CD1-CD1 4.27Å; Y199-I207 HydrophobicContact CE1-CD1 4.25Å; L200-I207 HydrophobicContact CD2-CD1 3.96Å; E203-I207 HydrophobicContact CB-CD1 4.07Å; E203-I207 HydrophobicContact CB-CG1 4.35Å; E203-I207 VanDerWaalsContact O-CG1 3.3Å; E203-I207 WeakPolarHBondContact O-CG1 3.28Å; E203-I207 PolarHBondContact O-N 2.95Å; A204-I207 PolarHBondContact O-N 3.24Å; I207-C209 PolarHBondContact O-N 2.92Å; I207-S210 WeakPolarHBondContact O-CB 3.49Å; I207-S210 PolarHBondContact O-N 3Å; I207-S210 PolarHBondContact O-OG 3.01Å; I207-V214 HydrophobicContact CG2-CG1 4.4Å; I207-L215 WeakPolarHBondContact O-CD1 3.41Å; I207-L215 VanDerWaalsContact O-CG 3.27Å; I207-L215 WeakPolarHBondContact O-CG 3.26Å; I207-L423 HydrophobicContact CB-CD1 4.41Å; I207-L423 HydrophobicContact CB-CD2 4.16Å; I207-L423 HydrophobicContact CD1-CD2 4.43Å; I207-L423 HydrophobicContact CG2-CD1 3.65Å; I207-L423 HydrophobicContact CG2-CD2 3.9Å; I207-L423 HydrophobicContact CG2-CG 4.46Å; I207-L430 HydrophobicContact CG2-CD2 3.65Å; I207-L430 HydrophobicContact CG2-CG 4.24Å
208	A	75.2	Confident	74.1	Confident	2 Å²	2	31.6 Å²	31.6	2%	0.017	17%	0.171	C	C	.	.	H	α-helix	trans	-62.1	-14.3	-178.5	0	0	0	0	0	114.6	A204 L215 T412 L414 L423 S432	A204-A208 WeakPolarHBondContact O-CB 3.39Å; A204-A208 PolarHBondContact O-N 3.14Å; A208-L215 WeakPolarHBondContact O-CD1 3.4Å; A208-T412 HydrophobicContact CB-CG2 3.53Å; A208-L414 HydrophobicContact CB-CD1 4.47Å; A208-L423 HydrophobicContact CB-CD1 4.49Å; A208-S432 WeakPolarHBondContact O-CB 3.33Å; A208-S432 PolarHBondContact O-OG 2.74Å
209	C	67.9	Low	74.1	Confident	10 Å²	10	26.2 Å²	26.2	7%	0.068	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124	14.4	178	-90.3	0	0	0	0	114.3	I207 L414 A528 S529 A532	I207-C209 PolarHBondContact O-N 2.92Å; C209-L414 HydrophobicContact CB-CD1 4.47Å; C209-A528 PolarHBondContact SG-O 3.23Å; C209-A528 VanDerWaalsContact SG-O 3.39Å; C209-S529 WeakPolarHBondContact O-CB 3.43Å; C209-S529 PolarHBondContact O-OG 2.67Å; C209-A532 HydrophobicContact CB-CB 3.14Å
210	S	67.6	Low	73.9	Confident	8 Å²	8	25.7 Å²	25.7	6%	0.056	15%	0.147	C	C	.	.			trans	-58	139.5	168.5	57.8	0	0	0	0	111	A206 I207 L215 R218	A206-S210 PolarHBondContact O-N 2.92Å; A206-S210 VanDerWaalsContact O-N 3.13Å; I207-S210 WeakPolarHBondContact O-CB 3.49Å; I207-S210 PolarHBondContact O-N 3Å; I207-S210 PolarHBondContact O-OG 3.01Å; S210-L215 WeakPolarHBondContact OG-CG 3.19Å; S210-R218 PolarHBondContact O-NH2 2.82Å
211	Q	61.1	Low	73.8	Confident	100 Å²	100	25.7 Å²	25.7	47%	0.467	15%	0.147	S	C	.	.			trans	-104	-11.8	171.4	-75.3	169.1	-49	0	0	111.8	S529	Q211-S529 WeakPolarHBondContact CG-OG 3.47Å; Q211-S529 PolarHBondContact OE1-OG 2.84Å; Q211-S529 VanDerWaalsContact OE1-OG 3.11Å
212	T	58	Low	73.8	Confident	59 Å²	59	24.7 Å²	24.7	36%	0.362	14%	0.142	S	C	.	.	S	Bend	trans	-70	152.9	162.2	48.6	0	0	0	0	109.7	V214 T361	T212-V214 PolarHBondContact O-N 2.82Å; T212-V214 WeakPolarHBondContact OG1-CG2 3.49Å; T212-T361 PolarHBondContact O-OG1 3.45Å
213	G	56	Low	73.7	Confident	25 Å²	25	20.6 Å²	20.6	26%	0.258	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	28.9	-179.5	0	0	0	0	0	115.8	C359	G213-C359 WeakPolarHBondContact CA-O 3.34Å
214	V	71.8	Confident	73.4	Confident	3 Å²	3	21.4 Å²	21.4	2%	0.018	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-43.6	168.2	174.7	0	0	0	0	109.3	I157 V160 I207 T212 L430	I157-V214 HydrophobicContact CG1-CG1 4.31Å; I157-V214 WeakPolarHBondContact O-CG1 3.14Å; I157-V214 WeakPolarHBondContact O-CG2 3.37Å; V160-V214 HydrophobicContact CG2-CG1 3.96Å; I207-V214 HydrophobicContact CG2-CG1 4.4Å; T212-V214 PolarHBondContact O-N 2.82Å; T212-V214 WeakPolarHBondContact OG1-CG2 3.49Å; V214-L430 HydrophobicContact CG1-CD2 4.24Å
215	L	73.9	Confident	72.8	Confident	1 Å²	1	22 Å²	22	1%	0.005	13%	0.131	C	C	.	.	S	Bend	trans	-81.9	130.6	163.7	-78.5	176.8	0	0	0	110.7	I207 A208 S210 R218 T361 L423 L430	I207-L215 WeakPolarHBondContact O-CD1 3.41Å; I207-L215 VanDerWaalsContact O-CG 3.27Å; I207-L215 WeakPolarHBondContact O-CG 3.26Å; A208-L215 WeakPolarHBondContact O-CD1 3.4Å; S210-L215 WeakPolarHBondContact OG-CG 3.19Å; L215-R218 HydrophobicContact CD1-CG 4.46Å; L215-T361 HydrophobicContact CB-CG2 3.45Å; L215-T361 VanDerWaalsContact CB-CG2 3.45Å; L215-T361 HydrophobicContact CD1-CG2 4.37Å; L215-T361 WeakPolarHBondContact O-CB 3.35Å; L215-T361 WeakPolarHBondContact O-CG2 3.33Å; L215-T361 PolarHBondContact O-OG1 2.75Å; L215-L423 HydrophobicContact CD2-CD1 4.17Å; L215-L430 HydrophobicContact CD2-CG 4.37Å
216	S	72.2	Confident	72.1	Confident	15 Å²	15	26.9 Å²	26.9	11%	0.105	16%	0.157	C	C	.	.	S	Bend	trans	-77.6	-44.3	175.3	-62.5	0	0	0	0	111.8	F304 Q362 Y429 L430	S216-F304 WeakPolarHBondContact OG-CZ 3.48Å; S216-Q362 PolarHBondContact O-N 3.46Å; S216-Y429 WeakPolarHBondContact OG-CD1 3.43Å; S216-L430 WeakPolarHBondContact CB-O 3.44Å; S216-L430 PolarHBondContact N-O 2.89Å; S216-L430 PolarHBondContact OG-O 3.15Å
217	A	72.7	Confident	71.4	Confident	8 Å²	8	28.8 Å²	28.8	7%	0.066	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	159.1	176.2	0	0	0	0	0	111.8	L219 Q362 I364 V431 S432	A217-L219 HydrophobicContact CB-CD2 4.41Å; A217-Q362 CarbonylContact C-O 3.51Å; A217-Q362 WeakPolarHBondContact CA-O 3.5Å; A217-Q362 WeakPolarHBondContact CB-O 3.43Å; A217-I364 HydrophobicContact CB-CD1 3.88Å; A217-I364 HydrophobicContact CB-CG1 4.34Å; A217-V431 HydrophobicContact CB-CG1 4.15Å; A217-V431 WeakPolarHBondContact O-CA 3.45Å; A217-V431 WeakPolarHBondContact O-CB 3.34Å; A217-S432 PolarHBondContact O-N 3.45Å; A217-S432 VanDerWaalsContact O-N 3.14Å
218	R	78.9	Confident	69.7	Low	37 Å²	37	33.7 Å²	33.7	14%	0.14	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	111.7	164.3	-46.2	-167.1	-173.7	80.1	5.8	108.2	S210 L215 T361 Q362 D363 I364 S432	S210-R218 PolarHBondContact O-NH2 2.82Å; L215-R218 HydrophobicContact CD1-CG 4.46Å; R218-T361 HydrophobicContact CG-CG2 3.68Å; R218-Q362 PolarHBondContact N-O 2.87Å; R218-D363 WeakPolarHBondContact CB-OD1 3.46Å; R218-D363 VanDerWaalsContact CD-OD1 3.29Å; R218-D363 WeakPolarHBondContact CD-OD1 3.34Å; R218-D363 VanDerWaalsContact CG-OD1 3.32Å; R218-D363 WeakPolarHBondContact CG-OD1 3.22Å; R218-D363 IonicContact CZ-OD1 2.86Å; R218-D363 IonicContact NE-OD1 2.99Å; R218-D363 IonicContact NH1-OD1 2.7Å; R218-D363 PolarHBondContact NH1-OD1 2.87Å; R218-I364 PolarHBondContact O-N 3.4Å; R218-S432 CarbonylContact C-O 3.5Å; R218-S432 WeakPolarHBondContact CA-O 3.19Å; R218-S432 WeakPolarHBondContact CG-OG 3.33Å
219	L	83	Confident	67.9	Low	2 Å²	2	39.1 Å²	39.1	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	110.9	177.1	-55.3	-176.6	0	0	0	108.4	A217 V221 L262 I364 I366 L426 V431 S432 L433 S434	A217-L219 HydrophobicContact CB-CD2 4.41Å; L219-V221 HydrophobicContact CB-CG2 4.29Å; L219-L262 HydrophobicContact CD2-CD1 4.39Å; L219-I364 HydrophobicContact CD2-CB 3.99Å; L219-I364 HydrophobicContact CD2-CD1 4.07Å; L219-I364 HydrophobicContact CD2-CG1 4.46Å; L219-I364 HydrophobicContact CD2-CG2 4.36Å; L219-I366 HydrophobicContact CD2-CD1 4.42Å; L219-L426 HydrophobicContact CD1-CD2 4.02Å; L219-V431 HydrophobicContact CD1-CG2 4.4Å; L219-S432 PolarHBondContact N-O 2.93Å; L219-L433 HydrophobicContact CB-CD1 3.82Å; L219-L433 HydrophobicContact CD1-CD1 4.4Å; L219-S434 PolarHBondContact O-N 3.33Å
220	I	81.1	Confident	66.3	Low	44 Å²	44	43.5 Å²	43.5	23%	0.226	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	102.4	179.2	-58.1	171.2	0	0	0	107.5	D363 I364 R365 I366	I220-D363 HydrophobicContact CD1-CB 4.41Å; I220-I364 PolarHBondContact N-O 3.31Å; I220-R365 HydrophobicContact CB-CG 4.14Å; I220-R365 HydrophobicContact CD1-CG 4.25Å; I220-R365 HydrophobicContact CG2-CG 4.39Å; I220-R365 CarbonylContact O-C 3.51Å; I220-R365 WeakPolarHBondContact O-CA 3.43Å; I220-I366 PolarHBondContact O-N 2.83Å
221	V	82.9	Confident	64.7	Low	1 Å²	1	50.5 Å²	50.5	1%	0.006	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	114.1	-167.5	-174.1	0	0	0	0	110.4	L219 L223 V248 I366 V368 L433 S434 I435 K436	L219-V221 HydrophobicContact CB-CG2 4.29Å; V221-L223 HydrophobicContact CG1-CD2 4.18Å; V221-V248 HydrophobicContact CB-CG1 4.35Å; V221-V248 HydrophobicContact CG1-CG1 4.03Å; V221-V248 HydrophobicContact CG1-CG2 4.33Å; V221-V248 HydrophobicContact CG2-CG1 3.87Å; V221-I366 HydrophobicContact CG2-CB 4.27Å; V221-I366 HydrophobicContact CG2-CD1 4.31Å; V221-V368 HydrophobicContact CG1-CB 4.46Å; V221-V368 HydrophobicContact CG1-CG2 3.99Å; V221-L433 HydrophobicContact CG2-CD1 3.71Å; V221-S434 PolarHBondContact N-O 3.15Å; V221-I435 CarbonylContact O-C 3.5Å; V221-I435 WeakPolarHBondContact O-CA 3.39Å; V221-K436 PolarHBondContact O-N 2.71Å
222	N	80.2	Confident	63.3	Low	38 Å²	38	54.5 Å²	54.5	20%	0.203	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	118.7	166.6	-61.7	-46.7	0	0	0	108.7	I366 S367 V368 Y438	N222-I366 PolarHBondContact N-O 2.8Å; N222-S367 PolarHBondContact ND2-OG 3.06Å; N222-S367 WeakPolarHBondContact O-CA 3.36Å; N222-V368 PolarHBondContact O-N 2.95Å; N222-Y438 HydrophobicContact CB-CD2 4.32Å; N222-Y438 HydrophobicContact CB-CE2 3.88Å
223	L	79.3	Confident	62.2	Low	0 Å²	0	60.5 Å²	60.5	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	125.5	170	-67.7	-178.7	0	0	0	110.2	V221 F227 L244 V248 V368 L373 I435 K436 Y438	V221-L223 HydrophobicContact CG1-CD2 4.18Å; L223-F227 HydrophobicContact CB-CZ 4.47Å; L223-L244 HydrophobicContact CD1-CB 4.45Å; L223-L244 HydrophobicContact CD1-CD1 4.35Å; L223-L244 HydrophobicContact CD1-CD2 4.17Å; L223-V248 HydrophobicContact CD2-CG2 3.95Å; L223-V368 WeakPolarHBondContact CA-O 3.45Å; L223-V368 HydrophobicContact CD2-CB 4.41Å; L223-L373 HydrophobicContact CD2-CD1 4Å; L223-I435 HydrophobicContact CD1-CG2 3.45Å; L223-I435 VanDerWaalsContact CD1-CG2 3.45Å; L223-I435 HydrophobicContact CG-CG2 3.7Å; L223-K436 PolarHBondContact N-O 3.28Å; L223-Y438 PolarHBondContact O-N 3.19Å
224	T	74.2	Confident	61.1	Low	58 Å²	58	66 Å²	66	36%	0.356	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	152.1	172.9	59.4	0	0	0	0	111	V368 D369 I370	T224-V368 PolarHBondContact N-O 3.35Å; T224-V368 VanDerWaalsContact N-O 3.11Å; T224-D369 CarbonylContact O-C 3.55Å; T224-D369 WeakPolarHBondContact O-CA 3.36Å; T224-D369 WeakPolarHBondContact OG1-CA 3.44Å; T224-D369 PolarHBondContact OG1-OD2 2.87Å; T224-I370 PolarHBondContact O-N 3.39Å
225	G	65.8	Low	59	Low	18 Å²	18	75.3 Å²	75.3	19%	0.186	40%	0.404	C	S	.	.	S	Bend	trans	142.4	169.1	177.4	0	0	0	0	0	112.5	F227	G225-F227 WeakPolarHBondContact O-CD2 2.96Å
226	N	58.2	Low	57.1	Low	126 Å²	126	82 Å²	82	67%	0.674	44%	0.438	S	S	*	.			trans	-80.8	126.2	169.6	-80.8	10.8	0	0	0	109.6	P440	N226-P440 WeakPolarHBondContact OD1-CB 3.49Å
227	F	58.6	Low	55.8	Low	50 Å²	50	88.4 Å²	88.4	22%	0.219	47%	0.467	C	S	.	.			trans	-98	-3.3	171.4	-66.7	-94.4	0	0	0	112.3	L223 G225 S229 I370 R437 Y438	L223-F227 HydrophobicContact CB-CZ 4.47Å; G225-F227 WeakPolarHBondContact O-CD2 2.96Å; F227-S229 PolarHBondContact O-N 2.83Å; F227-I370 HydrophobicContact CD1-CD1 4.22Å; F227-I370 HydrophobicContact CE1-CD1 3.64Å; F227-I370 HydrophobicContact CZ-CD1 4.11Å; F227-R437 HydrophobicContact CE1-CG 4.27Å; F227-R437 HydrophobicContact CE2-CB 4.37Å; F227-R437 HydrophobicContact CZ-CB 4.07Å; F227-R437 HydrophobicContact CZ-CG 4.02Å; F227-Y438 WeakPolarHBondContact CE2-O 3.4Å
228	D	45.7	Very low	54.7	Low	103 Å²	103	93.5 Å²	93.5	55%	0.551	49%	0.489	S	S	*	.			trans	-76.6	112.4	-173.7	-65.8	-52.8	0	0	0	112.9	S230 P440	D228-S230 PolarHBondContact O-N 3.3Å; D228-P440 VanDerWaalsContact OD2-CG 3.32Å; D228-P440 WeakPolarHBondContact OD2-CG 3.18Å
229	S	37.4	Very low	53.7	Low	116 Å²	116	93.7 Å²	93.7	81%	0.811	50%	0.496	S	S	*	.			trans	-77.3	58.5	175.5	47.2	0	0	0	0	112.7	F227	F227-S229 PolarHBondContact O-N 2.83Å
230	S	32.8	Very low	53	Low	101 Å²	101	95.4 Å²	95.4	71%	0.706	51%	0.507	S	S	*	.			trans	-112.2	36	-173.6	63.9	0	0	0	0	115.3	D228	D228-S230 PolarHBondContact O-N 3.3Å
231	D	35.2	Very low	52.5	Low	156 Å²	156	97 Å²	97	83%	0.834	52%	0.516	S	S	*	.	S	Bend	trans	-129.1	122.4	166.8	-114.9	-37.9	0	0	0	111.7	Q233	D231-Q233 PolarHBondContact O-N 2.8Å; D231-Q233 VanDerWaalsContact O-N 3.17Å
232	H	32.4	Very low	52	Low	184 Å²	184	99.9 Å²	99.9	85%	0.852	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	93.6	-172.4	-73.4	-74.3	0	0	0	112.6
233	Q	33	Very low	51.7	Low	185 Å²	185	104.1 Å²	104.1	86%	0.864	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-166.8	-9.9	142.2	-114.1	156.4	62.1	0	0	118.5	D231	D231-Q233 PolarHBondContact O-N 2.8Å; D231-Q233 VanDerWaalsContact O-N 3.17Å
234	N	33.5	Very low	51.7	Low	139 Å²	139	104.2 Å²	104.2	74%	0.743	54%	0.544	S	S	*	.	S	Bend	trans	-135.3	139	174.4	-74.7	-66.6	0	0	0	111.5	I236	N234-I236 VanDerWaalsContact C-N 3.28Å; N234-I236 HydrophobicContact CB-CG1 4.43Å; N234-I236 PolarHBondContact O-N 2.92Å
235	E	27.6	Very low	52	Low	200 Å²	200	101.4 Å²	101.4	94%	0.935	53%	0.527	S	S	*	.			trans	-76.1	74.7	177.9	-65.3	-174.4	140.4	0	0	111.5	Q237	E235-Q237 VanDerWaalsContact C-N 3.34Å; E235-Q237 PolarHBondContact O-N 3.44Å
236	I	35.4	Very low	52.8	Low	140 Å²	140	102 Å²	102	72%	0.718	53%	0.525	S	S	*	.			trans	-77.3	89	172.9	-55.7	-178.7	0	0	0	108.8	N234	N234-I236 VanDerWaalsContact C-N 3.28Å; N234-I236 HydrophobicContact CB-CG1 4.43Å; N234-I236 PolarHBondContact O-N 2.92Å
237	Q	43.6	Very low	53.8	Low	150 Å²	150	96 Å²	96	70%	0.701	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-61.4	131.3	171	-165.6	174.5	42	0	0	110.2	E235	E235-Q237 VanDerWaalsContact C-N 3.34Å; E235-Q237 PolarHBondContact O-N 3.44Å
238	E	50.5	Low	55.1	Low	115 Å²	115	93.7 Å²	93.7	54%	0.537	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-54.8	130.8	-177.4	-167.7	-172.2	-179.7	0	0	110.8	S240 R437	E238-S240 PolarHBondContact O-N 3.13Å; E238-R437 IonicContact OE1-CZ 3.79Å; E238-R437 IonicContact OE1-NH1 3.68Å; E238-R437 PolarHBondContact OE1-NH1 3.04Å
239	P	57.8	Low	56.9	Low	42 Å²	42	88.8 Å²	88.8	27%	0.273	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-63.5	134.1	-178.7	25.5	-34.4	0	0	0	110.8	L244	P239-L244 HydrophobicContact CB-CD2 4.49Å; P239-L244 HydrophobicContact CB-CG 4.22Å; P239-L244 HydrophobicContact CG-CD1 4.2Å; P239-L244 HydrophobicContact CG-CD2 4Å; P239-L244 HydrophobicContact CG-CG 4.03Å
240	S	67.1	Low	59	Low	37 Å²	37	85.5 Å²	85.5	26%	0.259	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-59.4	157.3	179.1	91.6	0	0	0	0	111.1	E238 E242 Y243 L244	E238-S240 PolarHBondContact O-N 3.13Å; S240-E242 WeakPolarHBondContact CB-OE2 3.4Å; S240-E242 PolarHBondContact O-N 2.86Å; S240-E242 WeakPolarHBondContact OG-CB 3.35Å; S240-E242 PolarHBondContact OG-N 2.75Å; S240-E242 PolarHBondContact OG-OE2 2.98Å; S240-Y243 PolarHBondContact O-N 2.79Å; S240-Y243 VanDerWaalsContact O-N 3.09Å; S240-Y243 WeakPolarHBondContact OG-CD2 3.34Å; S240-Y243 PolarHBondContact OG-N 2.95Å; S240-L244 PolarHBondContact O-N 3.2Å; S240-L244 VanDerWaalsContact O-N 3.09Å
241	N	71.5	Confident	61.5	Low	77 Å²	77	82.4 Å²	82.4	41%	0.412	40%	0.399	S	S	.	.	H	α-helix	trans	-55.9	-28.2	178.1	-51.9	6.3	0	0	0	111.7	A245 W422 R437	N241-A245 WeakPolarHBondContact O-CB 3.38Å; N241-A245 PolarHBondContact O-N 3.24Å; N241-W422 HydrophobicContact CB-CH2 4.27Å; N241-W422 HydrophobicContact CB-CZ2 3.63Å; N241-R437 PolarHBondContact OD1-NH2 3.31Å
242	E	72.2	Confident	63.7	Low	63 Å²	63	75 Å²	75	29%	0.294	36%	0.36	S	S	.	.	H	α-helix	trans	-75	-43.5	179.4	-49.9	138.3	132.5	0	0	111.5	S240 L244 A245 F246 L392 W422	S240-E242 WeakPolarHBondContact CB-OE2 3.4Å; S240-E242 PolarHBondContact O-N 2.86Å; S240-E242 WeakPolarHBondContact OG-CB 3.35Å; S240-E242 PolarHBondContact OG-N 2.75Å; S240-E242 PolarHBondContact OG-OE2 2.98Å; E242-L244 VanDerWaalsContact C-N 3.31Å; E242-L244 PolarHBondContact O-N 2.88Å; E242-A245 PolarHBondContact O-N 2.89Å; E242-F246 VanDerWaalsContact O-CB 3.3Å; E242-F246 WeakPolarHBondContact O-CB 3.42Å; E242-F246 PolarHBondContact O-N 2.73Å; E242-L392 HydrophobicContact CB-CD2 3.65Å; E242-L392 HydrophobicContact CG-CD2 3.91Å; E242-W422 HydrophobicContact CB-CH2 4.27Å; E242-W422 HydrophobicContact CB-CZ3 4.49Å; E242-W422 HydrophobicContact CG-CH2 3.52Å; E242-W422 HydrophobicContact CG-CZ3 3.86Å
243	Y	74	Confident	66.1	Low	126 Å²	126	66.5 Å²	66.5	49%	0.494	32%	0.32	S	S	.	.	H	α-helix	trans	-62.3	-39.1	174.3	-77.5	-75.8	0	0	0	111.6	S240 F246 G247	S240-Y243 PolarHBondContact O-N 2.79Å; S240-Y243 VanDerWaalsContact O-N 3.09Å; S240-Y243 WeakPolarHBondContact OG-CD2 3.34Å; S240-Y243 PolarHBondContact OG-N 2.95Å; Y243-F246 PolarHBondContact O-N 3.06Å; Y243-G247 PolarHBondContact O-N 2.81Å
244	L	78.5	Confident	68.2	Low	2 Å²	2	61.5 Å²	61.5	1%	0.01	30%	0.297	C	S	.	.	H	α-helix	trans	-67.6	-42.7	174.3	-71.9	169.5	0	0	0	112	L223 P239 S240 E242 F246 G247 V248 I370 L373 L375	L223-L244 HydrophobicContact CD1-CB 4.45Å; L223-L244 HydrophobicContact CD1-CD1 4.35Å; L223-L244 HydrophobicContact CD1-CD2 4.17Å; P239-L244 HydrophobicContact CB-CD2 4.49Å; P239-L244 HydrophobicContact CB-CG 4.22Å; P239-L244 HydrophobicContact CG-CD1 4.2Å; P239-L244 HydrophobicContact CG-CD2 4Å; P239-L244 HydrophobicContact CG-CG 4.03Å; S240-L244 PolarHBondContact O-N 3.2Å; S240-L244 VanDerWaalsContact O-N 3.09Å; E242-L244 VanDerWaalsContact C-N 3.31Å; E242-L244 PolarHBondContact O-N 2.88Å; L244-F246 VanDerWaalsContact C-N 3.33Å; L244-F246 PolarHBondContact O-N 2.78Å; L244-G247 PolarHBondContact O-N 2.83Å; L244-V248 WeakPolarHBondContact O-CB 3.32Å; L244-V248 VanDerWaalsContact O-CG2 3.25Å; L244-V248 WeakPolarHBondContact O-CG2 3.29Å; L244-V248 PolarHBondContact O-N 3.08Å; L244-I370 HydrophobicContact CD2-CD1 4.02Å; L244-I370 HydrophobicContact CD2-CG1 4.22Å; L244-L373 HydrophobicContact CD2-CD1 4.08Å; L244-L375 HydrophobicContact CD2-CD1 4.23Å
245	A	81.6	Confident	70.4	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-62	-40.6	174.6	0	0	0	0	0	112.5	N241 E242 L249 L408 W422 L433 I435	N241-A245 WeakPolarHBondContact O-CB 3.38Å; N241-A245 PolarHBondContact O-N 3.24Å; E242-A245 PolarHBondContact O-N 2.89Å; A245-L249 VanDerWaalsContact O-CB 3.29Å; A245-L249 WeakPolarHBondContact O-CB 3.32Å; A245-L249 PolarHBondContact O-N 3.21Å; A245-L408 HydrophobicContact CB-CD1 4.1Å; A245-L408 HydrophobicContact CB-CD2 4.02Å; A245-W422 HydrophobicContact CB-CD2 3.93Å; A245-W422 HydrophobicContact CB-CG 4.02Å; A245-L433 HydrophobicContact CB-CD2 4.32Å; A245-I435 VanDerWaalsContact CA-CD1 3.44Å; A245-I435 HydrophobicContact CB-CD1 3.67Å
246	F	81.5	Confident	72.7	Confident	29 Å²	29	49.4 Å²	49.4	13%	0.127	24%	0.236	C	C	.	.	H	α-helix	trans	-67.3	-44.5	176	-174.2	-109.8	0	0	0	112.6	E242 Y243 L244 V248 L249 R250 V395 L397	E242-F246 VanDerWaalsContact O-CB 3.3Å; E242-F246 WeakPolarHBondContact O-CB 3.42Å; E242-F246 PolarHBondContact O-N 2.73Å; Y243-F246 PolarHBondContact O-N 3.06Å; L244-F246 VanDerWaalsContact C-N 3.33Å; L244-F246 PolarHBondContact O-N 2.78Å; F246-V248 PolarHBondContact O-N 3.49Å; F246-L249 PolarHBondContact O-N 2.8Å; F246-R250 WeakPolarHBondContact O-CB 3.45Å; F246-R250 PolarHBondContact O-N 2.81Å; F246-V395 HydrophobicContact CD2-CB 3.79Å; F246-V395 HydrophobicContact CD2-CG1 3.84Å; F246-V395 HydrophobicContact CE1-CG1 4.22Å; F246-V395 HydrophobicContact CE2-CB 3.6Å; F246-V395 HydrophobicContact CE2-CG1 3.29Å; F246-V395 HydrophobicContact CG-CG1 4.5Å; F246-V395 HydrophobicContact CZ-CB 4.31Å; F246-V395 HydrophobicContact CZ-CG1 3.49Å; F246-V395 VanDerWaalsContact CZ-CG1 3.49Å; F246-L397 HydrophobicContact CE1-CD2 4.28Å; F246-L397 HydrophobicContact CE2-CD1 4.01Å; F246-L397 HydrophobicContact CE2-CD2 4.11Å; F246-L397 HydrophobicContact CE2-CG 3.75Å; F246-L397 HydrophobicContact CZ-CD1 4.16Å; F246-L397 HydrophobicContact CZ-CD2 3.49Å; F246-L397 VanDerWaalsContact CZ-CD2 3.49Å; F246-L397 HydrophobicContact CZ-CG 3.68Å
247	G	80.6	Confident	74.4	Confident	1 Å²	1	47 Å²	47	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-61	-43.9	175.9	0	0	0	0	0	112.6	Y243 L244 L249 R250 W251	Y243-G247 PolarHBondContact O-N 2.81Å; L244-G247 PolarHBondContact O-N 2.83Å; G247-L249 VanDerWaalsContact C-N 3.35Å; G247-R250 PolarHBondContact O-N 2.77Å; G247-W251 WeakPolarHBondContact O-CB 3.28Å; G247-W251 PolarHBondContact O-N 2.86Å
248	V	84.6	Confident	75.7	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.006	22%	0.218	C	C	.	.	H	α-helix	trans	-64	-39	174.8	171.4	0	0	0	0	111.7	V221 L223 L244 F246 A252 L373 L433	V221-V248 HydrophobicContact CB-CG1 4.35Å; V221-V248 HydrophobicContact CG1-CG1 4.03Å; V221-V248 HydrophobicContact CG1-CG2 4.33Å; V221-V248 HydrophobicContact CG2-CG1 3.87Å; L223-V248 HydrophobicContact CD2-CG2 3.95Å; L244-V248 WeakPolarHBondContact O-CB 3.32Å; L244-V248 VanDerWaalsContact O-CG2 3.25Å; L244-V248 WeakPolarHBondContact O-CG2 3.29Å; L244-V248 PolarHBondContact O-N 3.08Å; F246-V248 PolarHBondContact O-N 3.49Å; V248-A252 WeakPolarHBondContact O-CB 3.46Å; V248-A252 PolarHBondContact O-N 2.85Å; V248-L373 HydrophobicContact CB-CD2 4.43Å; V248-L373 HydrophobicContact CG2-CD1 3.93Å; V248-L373 HydrophobicContact CG2-CD2 3.76Å; V248-L433 HydrophobicContact CG1-CD1 3.77Å; V248-L433 HydrophobicContact CG1-CD2 4.3Å
249	L	84.6	Confident	76.5	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-68.5	-40.1	177.3	-169.4	70.9	0	0	0	112.1	A245 F246 G247 A252 F253 T406 L408 A424 L426	A245-L249 VanDerWaalsContact O-CB 3.29Å; A245-L249 WeakPolarHBondContact O-CB 3.32Å; A245-L249 PolarHBondContact O-N 3.21Å; F246-L249 PolarHBondContact O-N 2.8Å; G247-L249 VanDerWaalsContact C-N 3.35Å; L249-A252 PolarHBondContact O-N 3.19Å; L249-F253 WeakPolarHBondContact O-CB 3.48Å; L249-F253 PolarHBondContact O-N 2.86Å; L249-T406 HydrophobicContact CD1-CG2 4.16Å; L249-T406 HydrophobicContact CD2-CG2 3.68Å; L249-T406 HydrophobicContact CG-CG2 3.52Å; L249-L408 HydrophobicContact CD2-CB 4.41Å; L249-A424 HydrophobicContact CD1-CB 3.84Å; L249-A424 HydrophobicContact CD2-CB 4Å; L249-L426 HydrophobicContact CD1-CB 4.13Å; L249-L426 HydrophobicContact CD1-CD1 4.14Å
250	R	80.5	Confident	77	Confident	48 Å²	48	44.3 Å²	44.3	18%	0.181	23%	0.232	C	C	.	.	H	α-helix	trans	-63.6	-47.2	173.3	-175.3	173.3	174.6	161.2	2.2	111.1	F246 G247 A252 F253 E254 P374 E379 L397	F246-R250 WeakPolarHBondContact O-CB 3.45Å; F246-R250 PolarHBondContact O-N 2.81Å; G247-R250 PolarHBondContact O-N 2.77Å; R250-A252 VanDerWaalsContact C-N 3.34Å; R250-A252 PolarHBondContact O-N 3.22Å; R250-F253 PolarHBondContact O-N 2.97Å; R250-E254 VanDerWaalsContact CG-OE1 3.28Å; R250-E254 WeakPolarHBondContact CG-OE1 3.43Å; R250-E254 IonicContact CZ-OE1 3.53Å; R250-E254 IonicContact NE-OE1 2.68Å; R250-E254 PolarHBondContact NE-OE1 3.18Å; R250-E254 WeakPolarHBondContact O-CG 3.34Å; R250-E254 PolarHBondContact O-N 3.1Å; R250-P374 HydrophobicContact CB-CG 3.89Å; R250-P374 HydrophobicContact CG-CB 4.48Å; R250-P374 HydrophobicContact CG-CG 3.68Å; R250-E379 IonicContact CZ-OE2 3.94Å; R250-E379 IonicContact NH1-OE1 3.72Å; R250-E379 IonicContact NH1-OE2 3.99Å; R250-E379 PolarHBondContact NH1-OE2 2.71Å; R250-E379 IonicContact NH2-OE1 2.88Å; R250-E379 PolarHBondContact NH2-OE1 3.31Å; R250-E379 IonicContact NH2-OE2 3.47Å; R250-L397 HydrophobicContact CB-CD1 3.91Å; R250-L397 HydrophobicContact CG-CD1 4.19Å; R250-L397 HydrophobicContact CG-CD2 4.41Å
251	W	85.2	Confident	76.8	Confident	35 Å²	35	47.9 Å²	47.9	13%	0.133	24%	0.24	C	C	.	.	H	α-helix	trans	-55.6	-46.4	173.9	179.5	97.6	0	0	0	112	G247 F253 E254 K255 L262 I366 V368 L373	G247-W251 WeakPolarHBondContact O-CB 3.28Å; G247-W251 PolarHBondContact O-N 2.86Å; W251-F253 VanDerWaalsContact C-N 3.34Å; W251-F253 PolarHBondContact O-N 2.86Å; W251-E254 PolarHBondContact O-N 3Å; W251-K255 HydrophobicContact CD2-CG 4.17Å; W251-K255 HydrophobicContact CE3-CG 4.26Å; W251-K255 HydrophobicContact CH2-CG 4.17Å; W251-K255 HydrophobicContact CZ2-CD 4.48Å; W251-K255 HydrophobicContact CZ2-CG 4.11Å; W251-K255 HydrophobicContact CZ3-CG 4.25Å; W251-K255 VanDerWaalsContact O-CG 3.32Å; W251-K255 WeakPolarHBondContact O-CG 3.39Å; W251-K255 PolarHBondContact O-N 2.94Å; W251-L262 HydrophobicContact CZ3-CD2 4.03Å; W251-I366 HydrophobicContact CH2-CG2 3.76Å; W251-I366 HydrophobicContact CZ3-CD1 4.31Å; W251-I366 HydrophobicContact CZ3-CG2 3.82Å; W251-V368 HydrophobicContact CD2-CG1 4.2Å; W251-V368 HydrophobicContact CD2-CG2 4.28Å; W251-V368 HydrophobicContact CE3-CG2 4.15Å; W251-V368 HydrophobicContact CG-CG1 4.39Å; W251-V368 HydrophobicContact CH2-CG2 3.96Å; W251-V368 HydrophobicContact CZ2-CG1 4.34Å; W251-V368 HydrophobicContact CZ2-CG2 4.04Å; W251-V368 HydrophobicContact CZ3-CG2 4.01Å; W251-L373 HydrophobicContact CB-CD2 4.1Å; W251-L373 HydrophobicContact CG-CD2 4.33Å
252	A	82.9	Confident	76.7	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.008	22%	0.222	C	C	.	.	H	α-helix	trans	-64	-39.5	178.7	0	0	0	0	0	112	V248 L249 R250 K255 L256 L262 L426	V248-A252 WeakPolarHBondContact O-CB 3.46Å; V248-A252 PolarHBondContact O-N 2.85Å; L249-A252 PolarHBondContact O-N 3.19Å; R250-A252 VanDerWaalsContact C-N 3.34Å; R250-A252 PolarHBondContact O-N 3.22Å; A252-K255 PolarHBondContact O-N 2.83Å; A252-L256 WeakPolarHBondContact O-CG 3.18Å; A252-L256 PolarHBondContact O-N 3.24Å; A252-L256 VanDerWaalsContact O-N 3.08Å; A252-L262 HydrophobicContact CB-CD2 3.99Å; A252-L426 HydrophobicContact CB-CD1 4.42Å; A252-L426 HydrophobicContact CB-CD2 4.07Å
253	F	81.6	Confident	76.2	Confident	5 Å²	5	42.7 Å²	42.7	2%	0.022	22%	0.217	C	C	.	.	H	α-helix	trans	-66.1	-44.7	176.3	-176.5	-118.4	0	0	0	112.4	L249 R250 W251 K255 L256 L257 T399 T406 L426 A427	L249-F253 WeakPolarHBondContact O-CB 3.48Å; L249-F253 PolarHBondContact O-N 2.86Å; R250-F253 PolarHBondContact O-N 2.97Å; W251-F253 VanDerWaalsContact C-N 3.34Å; W251-F253 PolarHBondContact O-N 2.86Å; F253-K255 VanDerWaalsContact C-N 3.3Å; F253-K255 PolarHBondContact O-N 2.95Å; F253-L256 WeakPolarHBondContact O-CB 3.29Å; F253-L256 PolarHBondContact O-N 2.76Å; F253-L256 VanDerWaalsContact O-N 3.13Å; F253-L257 HydrophobicContact CD1-CD1 4.01Å; F253-L257 HydrophobicContact CE1-CD1 3.67Å; F253-L257 HydrophobicContact CE1-CG 4.39Å; F253-L257 HydrophobicContact CZ-CD1 4Å; F253-L257 HydrophobicContact CZ-CD2 4.39Å; F253-L257 HydrophobicContact CZ-CG 4.33Å; F253-L257 WeakPolarHBondContact O-CG 3.21Å; F253-L257 PolarHBondContact O-N 3.43Å; F253-T399 HydrophobicContact CE1-CG2 4.47Å; F253-T406 HydrophobicContact CB-CG2 4.25Å; F253-T406 WeakPolarHBondContact CD2-OG1 3.03Å; F253-T406 WeakPolarHBondContact CE2-OG1 3.4Å; F253-T406 HydrophobicContact CG-CG2 4.45Å; F253-L426 HydrophobicContact CB-CD1 3.77Å; F253-L426 HydrophobicContact CD2-CD1 4.24Å; F253-L426 HydrophobicContact CG-CD1 4.48Å; F253-A427 HydrophobicContact CD2-CB 4.14Å; F253-A427 HydrophobicContact CE2-CB 4.01Å
254	E	77.8	Confident	74.9	Confident	80 Å²	80	45.3 Å²	45.3	37%	0.374	23%	0.226	S	C	.	.	H	α-helix	trans	-61.4	-38.3	176.5	-71.6	171.2	-171.8	0	0	111.4	R250 W251 L257 T258	R250-E254 VanDerWaalsContact CG-OE1 3.28Å; R250-E254 WeakPolarHBondContact CG-OE1 3.43Å; R250-E254 IonicContact CZ-OE1 3.53Å; R250-E254 IonicContact NE-OE1 2.68Å; R250-E254 PolarHBondContact NE-OE1 3.18Å; R250-E254 WeakPolarHBondContact O-CG 3.34Å; R250-E254 PolarHBondContact O-N 3.1Å; W251-E254 PolarHBondContact O-N 3Å; E254-L257 PolarHBondContact O-N 3.15Å; E254-T258 PolarHBondContact O-N 3.19Å; E254-T258 PolarHBondContact O-OG1 3.12Å
255	K	79.8	Confident	72.7	Confident	51 Å²	51	49.4 Å²	49.4	22%	0.222	26%	0.26	C	S	.	.	H	α-helix	trans	-66.2	-35.6	172.8	-68.2	-68.4	168.1	-167.7	0	113.9	W251 A252 F253 T258 G259 E260 L262	W251-K255 HydrophobicContact CD2-CG 4.17Å; W251-K255 HydrophobicContact CE3-CG 4.26Å; W251-K255 HydrophobicContact CH2-CG 4.17Å; W251-K255 HydrophobicContact CZ2-CD 4.48Å; W251-K255 HydrophobicContact CZ2-CG 4.11Å; W251-K255 HydrophobicContact CZ3-CG 4.25Å; W251-K255 VanDerWaalsContact O-CG 3.32Å; W251-K255 WeakPolarHBondContact O-CG 3.39Å; W251-K255 PolarHBondContact O-N 2.94Å; A252-K255 PolarHBondContact O-N 2.83Å; F253-K255 VanDerWaalsContact C-N 3.3Å; F253-K255 PolarHBondContact O-N 2.95Å; K255-T258 PolarHBondContact O-OG1 2.84Å; K255-G259 PolarHBondContact O-N 2.87Å; K255-E260 HydrophobicContact CB-CB 4.35Å; K255-E260 HydrophobicContact CD-CB 3.83Å; K255-E260 VanDerWaalsContact CD-CD 3.5Å; K255-E260 HydrophobicContact CD-CG 4.29Å; K255-E260 WeakPolarHBondContact CD-OE2 3.2Å; K255-E260 IonicContact NZ-OE1 3.36Å; K255-E260 PolarHBondContact NZ-OE1 2.8Å; K255-E260 IonicContact NZ-OE2 2.83Å; K255-E260 PolarHBondContact NZ-OE2 3.22Å; K255-E260 PolarHBondContact O-N 2.84Å; K255-L262 HydrophobicContact CB-CD2 3.9Å
256	L	74.7	Confident	70.3	Confident	34 Å²	34	52.3 Å²	52.3	18%	0.178	29%	0.29	C	S	.	.	H	α-helix	trans	-67	-39.9	172.9	-68.9	174.7	0	0	0	111.6	A252 F253 G259 L262 L305 L426 A427	A252-L256 WeakPolarHBondContact O-CG 3.18Å; A252-L256 PolarHBondContact O-N 3.24Å; A252-L256 VanDerWaalsContact O-N 3.08Å; F253-L256 WeakPolarHBondContact O-CB 3.29Å; F253-L256 PolarHBondContact O-N 2.76Å; F253-L256 VanDerWaalsContact O-N 3.13Å; L256-G259 PolarHBondContact O-N 3.35Å; L256-L262 HydrophobicContact CD2-CD1 4.28Å; L256-L262 HydrophobicContact CD2-CG 4.47Å; L256-L305 HydrophobicContact CD2-CD1 3.75Å; L256-L305 HydrophobicContact CD2-CD2 4.1Å; L256-L305 HydrophobicContact CD2-CG 4.44Å; L256-L426 HydrophobicContact CD1-CD1 4.16Å; L256-L426 HydrophobicContact CD1-CD2 3.93Å; L256-L426 HydrophobicContact CD1-CG 3.85Å; L256-A427 HydrophobicContact CD1-CB 4.49Å
257	L	71	Confident	68.2	Low	89 Å²	89	54 Å²	54	47%	0.466	31%	0.306	S	S	.	.	H	α-helix	trans	-66.3	-36.6	177	-70.1	175.3	0	0	0	113	F253 E254 G259	F253-L257 HydrophobicContact CD1-CD1 4.01Å; F253-L257 HydrophobicContact CE1-CD1 3.67Å; F253-L257 HydrophobicContact CE1-CG 4.39Å; F253-L257 HydrophobicContact CZ-CD1 4Å; F253-L257 HydrophobicContact CZ-CD2 4.39Å; F253-L257 HydrophobicContact CZ-CG 4.33Å; F253-L257 WeakPolarHBondContact O-CG 3.21Å; F253-L257 PolarHBondContact O-N 3.43Å; E254-L257 PolarHBondContact O-N 3.15Å; L257-G259 PolarHBondContact O-N 3.19Å
258	T	71.1	Confident	66	Low	93 Å²	93	60.6 Å²	60.6	57%	0.571	34%	0.336	S	S	*	.	H	α-helix	trans	-76.1	-10.2	173.9	60.2	0	0	0	0	113.6	E254 K255 E260	E254-T258 PolarHBondContact O-N 3.19Å; E254-T258 PolarHBondContact O-OG1 3.12Å; K255-T258 PolarHBondContact O-OG1 2.84Å; T258-E260 VanDerWaalsContact C-N 3.3Å; T258-E260 WeakPolarHBondContact OG1-CG 3.36Å; T258-E260 PolarHBondContact OG1-OE1 3.41Å
259	G	67.8	Low	63.5	Low	64 Å²	64	67.5 Å²	67.5	66%	0.66	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	19.7	-174.8	0	0	0	0	0	113.7	K255 L256 L257	K255-G259 PolarHBondContact O-N 2.87Å; L256-G259 PolarHBondContact O-N 3.35Å; L257-G259 PolarHBondContact O-N 3.19Å
260	E	69.2	Low	61.1	Low	94 Å²	94	73.2 Å²	73.2	44%	0.439	40%	0.404	S	S	.	.			trans	-77.6	156.3	175.2	-75.5	179.4	-107.5	0	0	112.1	K255 T258	K255-E260 HydrophobicContact CB-CB 4.35Å; K255-E260 HydrophobicContact CD-CB 3.83Å; K255-E260 VanDerWaalsContact CD-CD 3.5Å; K255-E260 HydrophobicContact CD-CG 4.29Å; K255-E260 WeakPolarHBondContact CD-OE2 3.2Å; K255-E260 IonicContact NZ-OE1 3.36Å; K255-E260 PolarHBondContact NZ-OE1 2.8Å; K255-E260 IonicContact NZ-OE2 2.83Å; K255-E260 PolarHBondContact NZ-OE2 3.22Å; K255-E260 PolarHBondContact O-N 2.84Å; T258-E260 VanDerWaalsContact C-N 3.3Å; T258-E260 WeakPolarHBondContact OG1-CG 3.36Å; T258-E260 PolarHBondContact OG1-OE1 3.41Å
261	R	63.2	Low	58.8	Low	112 Å²	112	76.8 Å²	76.8	42%	0.423	43%	0.431	S	S	.	.			trans	-82	130.2	174.3	-71.7	179.1	166.6	-150.3	-7.1	110.1	A263 F302	R261-A263 VanDerWaalsContact C-N 3.28Å; R261-A263 PolarHBondContact O-N 3.32Å; R261-F302 HydrophobicContact CB-CE2 4.5Å; R261-F302 HydrophobicContact CB-CZ 4.4Å; R261-F302 HydrophobicContact CG-CD2 4.35Å; R261-F302 HydrophobicContact CG-CE2 3.83Å; R261-F302 HydrophobicContact CG-CZ 4.2Å
262	L	69.3	Low	56.1	Low	9 Å²	9	80 Å²	80	5%	0.047	46%	0.457	C	S	.	.	S	Bend	trans	-64.7	-30.1	172.8	-65.4	176.2	0	0	0	113	L219 W251 A252 K255 L256 I364 I366	L219-L262 HydrophobicContact CD2-CD1 4.39Å; W251-L262 HydrophobicContact CZ3-CD2 4.03Å; A252-L262 HydrophobicContact CB-CD2 3.99Å; K255-L262 HydrophobicContact CB-CD2 3.9Å; L256-L262 HydrophobicContact CD2-CD1 4.28Å; L256-L262 HydrophobicContact CD2-CG 4.47Å; L262-I364 HydrophobicContact CB-CG2 4.1Å; L262-I366 HydrophobicContact CB-CD1 4.02Å; L262-I366 WeakPolarHBondContact O-CG2 3.32Å
263	A	61.5	Low	53.8	Low	22 Å²	22	85 Å²	85	18%	0.182	49%	0.492	C	S	.	.	S	Bend	trans	-101.9	139.3	178.7	0	0	0	0	0	112.4	R261 I364	R261-A263 VanDerWaalsContact C-N 3.28Å; R261-A263 PolarHBondContact O-N 3.32Å; A263-I364 HydrophobicContact CB-CG2 4.33Å
264	R	45.2	Very low	51.3	Low	181 Å²	181	91.7 Å²	91.7	68%	0.683	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-74.1	138.2	170.7	-66.5	-178.6	-179.1	166.8	2.4	109.7	G266	R264-G266 PolarHBondContact O-N 3.03Å
265	A	32.9	Very low	49.2	Very low	89 Å²	89	95 Å²	95	74%	0.736	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	130.9	174	0	0	0	0	0	110.2
266	G	32.2	Very low	47.2	Very low	61 Å²	61	101.7 Å²	101.7	63%	0.629	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	110.8	15.6	-176.8	0	0	0	0	0	116	R264	R264-G266 PolarHBondContact O-N 3.03Å
267	S	36.2	Very low	45.1	Very low	65 Å²	65	109 Å²	109	46%	0.455	61%	0.614	S	S	.	*			trans	-104.3	19.5	171.6	73.1	0	0	0	0	113.6
268	E	35	Very low	43.4	Very low	139 Å²	139	109.8 Å²	109.8	65%	0.65	63%	0.626	S	S	*	*			trans	-89.3	-19.9	-169.4	-66.8	171	-149.5	0	0	112.4	N270 V271	E268-N270 PolarHBondContact O-N 2.97Å; E268-V271 PolarHBondContact O-N 3.31Å
269	D	32.4	Very low	41.7	Very low	146 Å²	146	113.3 Å²	113.3	78%	0.781	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	23.4	-174.4	-54.9	-47.6	0	0	0	115.6
270	N	33.5	Very low	40.2	Very low	120 Å²	120	113.7 Å²	113.7	64%	0.642	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-144.3	26.2	178.9	-91.8	-79	0	0	0	113.1	E268	E268-N270 PolarHBondContact O-N 2.97Å
271	V	33.3	Very low	38.5	Very low	123 Å²	123	116.9 Å²	116.9	75%	0.745	67%	0.666	S	S	*	*			trans	-109.8	84	170.4	-173.3	0	0	0	0	108.8	E268	E268-V271 PolarHBondContact O-N 3.31Å
272	C	26.9	Very low	37.2	Very low	101 Å²	101	115.8 Å²	115.8	68%	0.682	68%	0.675	S	S	*	*			trans	-73.3	124.7	161	-68.8	0	0	0	0	108.2	D274	C272-D274 WeakPolarHBondContact CB-OD1 3.35Å; C272-D274 PolarHBondContact O-N 2.86Å
273	S	34.6	Very low	35.6	Very low	106 Å²	106	119.9 Å²	119.9	74%	0.741	71%	0.705	S	S	*	*			trans	-86.8	84.2	168.6	54.2	0	0	0	0	108.3	D275	S273-D275 PolarHBondContact O-N 3.12Å
274	D	29.1	Very low	34.3	Very low	147 Å²	147	126 Å²	126	79%	0.786	74%	0.735	S	S	*	*			trans	-79.8	59.7	-178.9	-63.2	-28.4	0	0	0	111.4	C272	C272-D274 WeakPolarHBondContact CB-OD1 3.35Å; C272-D274 PolarHBondContact O-N 2.86Å
275	D	34.8	Very low	33.7	Very low	149 Å²	149	123.3 Å²	123.3	80%	0.797	74%	0.741	S	S	*	*			trans	-144.6	126.8	171.7	-87	-54.4	0	0	0	108.4	S273	S273-D275 PolarHBondContact O-N 3.12Å
276	E	37.2	Very low	33.8	Very low	191 Å²	191	124 Å²	124	89%	0.893	75%	0.747	S	S	*	*			trans	128.9	79.6	172.5	-68.4	-100.8	141.8	0	0	112.6
277	E	31.8	Very low	33.8	Very low	189 Å²	189	128.3 Å²	128.3	88%	0.883	76%	0.76	S	S	*	*			trans	-104.3	148.6	156.5	-82.8	-158.4	141.1	0	0	110.2
278	S	33.3	Very low	33.5	Very low	104 Å²	104	128.9 Å²	128.9	73%	0.727	78%	0.777	S	S	*	*			trans	65.3	142.5	-170.4	71.6	0	0	0	0	114.6
279	D	36.8	Very low	33.2	Very low	167 Å²	167	129.8 Å²	129.8	89%	0.893	79%	0.786	S	S	*	*			cis	-117.9	165.8	8.5	-94.4	-45.3	0	0	0	113.2
280	G	36	Very low	33.2	Very low	73 Å²	73	128.3 Å²	128.3	75%	0.753	79%	0.787	S	S	*	*			trans	-103.4	176	-173.2	0	0	0	0	0	117.1
281	N	34.3	Very low	33	Very low	160 Å²	160	130.8 Å²	130.8	86%	0.856	80%	0.8	S	S	*	*			trans	117.4	137.2	145.5	-155.5	17.6	0	0	0	119
282	S	34.9	Very low	32.7	Very low	89 Å²	89	128.4 Å²	128.4	62%	0.622	80%	0.801	S	S	*	*			trans	66.1	88.6	157	55.6	0	0	0	0	122.3
283	S	35.6	Very low	32.6	Very low	96 Å²	96	129.9 Å²	129.9	67%	0.671	81%	0.812	S	S	*	*				45.4	112.9	119.1	64.7	0	0	0	0	121.9
284	N	34.6	Very low	32.2	Very low	151 Å²	151	136.1 Å²	136.1	81%	0.807	82%	0.819	S	S	*	*				172.1	142.4	95.2	-91.2	-37.4	0	0	0	113.4
285	P	32.1	Very low	31.9	Very low	124 Å²	124	141 Å²	141	81%	0.805	83%	0.827	S	S	*	*			trans	-95.8	140.8	173.6	36	-31.7	0	0	0	113.2
286	A	34.6	Very low	31.4	Very low	104 Å²	104	143.8 Å²	143.8	86%	0.86	83%	0.832	S	S	*	*			trans	-143.5	134.9	169.6	0	0	0	0	0	111.9
287	V	32.7	Very low	30.8	Very low	150 Å²	150	145.9 Å²	145.9	91%	0.909	83%	0.831	S	S	*	*			trans	-78.6	137.9	-173.7	175	0	0	0	0	111.8
288	G	31.1	Very low	30.4	Very low	78 Å²	78	142.3 Å²	142.3	80%	0.804	84%	0.835	S	S	*	*			trans	-151.1	104.7	171.1	0	0	0	0	0	111.8
289	N	28.2	Very low	30	Very low	157 Å²	157	140.6 Å²	140.6	84%	0.84	83%	0.833	S	S	*	*			trans	-106.9	124.5	-169.4	-146.7	12.8	0	0	0	111.1
290	S	32.7	Very low	29.5	Very low	115 Å²	115	138.3 Å²	138.3	80%	0.804	83%	0.83	S	S	*	*			trans	-153.7	146.2	164.8	67.2	0	0	0	0	112.2
291	N	28	Very low	29.1	Very low	172 Å²	172	140.9 Å²	140.9	92%	0.92	82%	0.823	S	S	*	*			trans	-84	135.4	-168	-68.7	-54.3	0	0	0	113
292	G	28.2	Very low	28.8	Very low	74 Å²	74	136.4 Å²	136.4	76%	0.763	80%	0.795	S	S	*	*			trans	-158.6	78.6	176.8	0	0	0	0	0	113.5	R294	G292-R294 PolarHBondContact O-N 2.93Å
293	S	24	Very low	28.8	Very low	131 Å²	131	140.8 Å²	140.8	92%	0.916	81%	0.806	S	S	*	*			trans	-71.1	91	-178.3	175.4	0	0	0	0	112.9
294	R	25.6	Very low	28.7	Very low	237 Å²	237	138.4 Å²	138.4	89%	0.894	78%	0.784	S	S	*	*			trans	-127.8	114.1	160.8	-87.3	-174.9	168.9	-179.8	-2.8	110.6	G292 K296	G292-R294 PolarHBondContact O-N 2.93Å; R294-K296 PolarHBondContact O-N 3.12Å
295	R	23.3	Very low	28.7	Very low	251 Å²	251	134 Å²	134	95%	0.947	76%	0.76	S	S	*	*			trans	-58.7	105.2	165.5	-74.8	175.5	168.1	165.7	-6	108.8	R297	R295-R297 PolarHBondContact O-N 3.45Å
296	K	25.1	Very low	28.6	Very low	206 Å²	206	130.6 Å²	130.6	90%	0.896	74%	0.742	S	S	*	*			trans	-63.4	116.8	167.1	-77.1	-173.5	174.8	-177.6	0	108	R294 A298	R294-K296 PolarHBondContact O-N 3.12Å; K296-A298 PolarHBondContact O-N 2.74Å
297	R	23.4	Very low	28.5	Very low	235 Å²	235	130.8 Å²	130.8	89%	0.887	73%	0.725	S	S	*	*			trans	-65.6	122.7	165.4	-80.8	178.4	166.6	165.9	-5.2	107.7	R295 G299	R295-R297 PolarHBondContact O-N 3.45Å; R297-G299 PolarHBondContact O-N 3.05Å; R297-G299 VanDerWaalsContact O-N 3.13Å
298	A	24.5	Very low	28.3	Very low	115 Å²	115	131.6 Å²	131.6	95%	0.95	72%	0.717	S	S	*	*			trans	-63.7	110.7	162.5	0	0	0	0	0	107.4	K296	K296-A298 PolarHBondContact O-N 2.74Å
299	G	23.8	Very low	28.3	Very low	67 Å²	67	134.7 Å²	134.7	69%	0.691	72%	0.715	S	S	*	*			trans	-145.6	25.7	-152	0	0	0	0	0	115.5	R297	R297-G299 PolarHBondContact O-N 3.05Å; R297-G299 VanDerWaalsContact O-N 3.13Å
300	S	27.2	Very low	28.4	Very low	119 Å²	119	132.5 Å²	132.5	83%	0.832	70%	0.702	S	S	*	*			trans	-120.8	121.9	169.1	40.7	0	0	0	0	108.1
301	Q	26.8	Very low	28.3	Very low	128 Å²	128	131.1 Å²	131.1	60%	0.598	69%	0.686	S	S	*	*			trans	-126.3	133.3	-169.7	-56.3	-173.5	-47.2	0	0	111.1	Q303 A306	Q301-Q303 PolarHBondContact O-N 2.86Å; Q301-Q303 VanDerWaalsContact O-N 3.08Å; Q301-A306 WeakPolarHBondContact O-CB 3.36Å
302	F	28.9	Very low	28.2	Very low	65 Å²	65	126.5 Å²	126.5	29%	0.285	67%	0.667	S	S	.	*			trans	42	53.3	154.1	-78.9	-94.5	0	0	0	115.7	R261 F304 L305 A306	R261-F302 HydrophobicContact CB-CE2 4.5Å; R261-F302 HydrophobicContact CB-CZ 4.4Å; R261-F302 HydrophobicContact CG-CD2 4.35Å; R261-F302 HydrophobicContact CG-CE2 3.83Å; R261-F302 HydrophobicContact CG-CZ 4.2Å; F302-F304 PolarHBondContact O-N 3.33Å; F302-L305 PolarHBondContact O-N 3.22Å; F302-A306 WeakPolarHBondContact O-CB 3.09Å; F302-A306 PolarHBondContact O-N 2.88Å
303	Q	33.9	Very low	28.2	Very low	181 Å²	181	126.2 Å²	126.2	85%	0.846	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.4	-26.1	-170.1	-158	170.5	5.7	0	0	114.4	Q301	Q301-Q303 PolarHBondContact O-N 2.86Å; Q301-Q303 VanDerWaalsContact O-N 3.08Å
304	F	34.9	Very low	28.5	Very low	46 Å²	46	125.7 Å²	125.7	20%	0.202	65%	0.649	C	S	.	*	T	Hydrogen-bonded Turn	trans	-75.3	-30.7	176.7	-168.1	-94	0	0	0	114.6	S216 F302 Y429	S216-F304 WeakPolarHBondContact OG-CZ 3.48Å; F302-F304 PolarHBondContact O-N 3.33Å; F304-Y429 AromaticContact CE1-CD1 3.81Å; F304-Y429 HydrophobicContact CE1-CD1 3.81Å; F304-Y429 HydrophobicContact CE1-CE1 4.06Å; F304-Y429 HydrophobicContact CE1-CG 4.06Å; F304-Y429 AromaticContact CZ-CD1 3.54Å; F304-Y429 HydrophobicContact CZ-CD1 3.54Å; F304-Y429 AromaticContact CZ-CE1 3.71Å; F304-Y429 HydrophobicContact CZ-CE1 3.71Å; F304-Y429 HydrophobicContact CZ-CG 4.25Å
305	L	34.4	Very low	28.5	Very low	58 Å²	58	125.9 Å²	125.9	30%	0.304	65%	0.65	S	S	.	*	T	Hydrogen-bonded Turn	trans	-112.6	-12.9	-177.6	-70.5	166.3	0	0	0	113.3	L256 F302 Q307	L256-L305 HydrophobicContact CD2-CD1 3.75Å; L256-L305 HydrophobicContact CD2-CD2 4.1Å; L256-L305 HydrophobicContact CD2-CG 4.44Å; F302-L305 PolarHBondContact O-N 3.22Å; L305-Q307 PolarHBondContact O-N 3.47Å
306	A	30	Very low	28.6	Very low	53 Å²	53	118.4 Å²	118.4	44%	0.438	64%	0.636	S	S	.	*			trans	-83.2	18.3	-176.5	0	0	0	0	0	114.4	Q301 F302 K308	Q301-A306 WeakPolarHBondContact O-CB 3.36Å; F302-A306 WeakPolarHBondContact O-CB 3.09Å; F302-A306 PolarHBondContact O-N 2.88Å; A306-K308 PolarHBondContact O-N 3.15Å
307	Q	31.8	Very low	28.5	Very low	109 Å²	109	118.4 Å²	118.4	51%	0.509	64%	0.636	S	S	.	*			trans	-68.8	77.7	167.3	-76.6	-164.1	-30.5	0	0	110.3	L305 N309 L310	L305-Q307 PolarHBondContact O-N 3.47Å; Q307-N309 PolarHBondContact O-N 3.31Å; Q307-L310 PolarHBondContact O-N 3.16Å; Q307-L310 VanDerWaalsContact O-N 3.12Å
308	K	28.9	Very low	28.6	Very low	166 Å²	166	113.7 Å²	113.7	72%	0.722	64%	0.638	S	S	*	*	H	α-helix	trans	-48	-26.9	178.6	-79.7	-178	171	179.2	0	114.2	A306 L310 L311 S312	A306-K308 PolarHBondContact O-N 3.15Å; K308-L310 VanDerWaalsContact C-N 3.3Å; K308-L310 PolarHBondContact O-N 3.43Å; K308-L311 PolarHBondContact O-N 2.87Å; K308-S312 PolarHBondContact O-N 2.68Å
309	N	30.1	Very low	28.5	Very low	143 Å²	143	111.6 Å²	111.6	77%	0.765	63%	0.627	S	S	*	*	H	α-helix	trans	-74.7	-15.3	-174	-60.4	7.8	0	0	0	113.7	Q307 S312	Q307-N309 PolarHBondContact O-N 3.31Å; N309-S312 WeakPolarHBondContact CA-OG 3.45Å; N309-S312 PolarHBondContact O-OG 3Å
310	L	31.8	Very low	28.6	Very low	111 Å²	111	115.5 Å²	115.5	58%	0.581	64%	0.638	S	S	*	*	H	α-helix	trans	-82.1	-26.7	169.1	-90.7	160.2	0	0	0	112.6	Q307 K308	Q307-L310 PolarHBondContact O-N 3.16Å; Q307-L310 VanDerWaalsContact O-N 3.12Å; K308-L310 VanDerWaalsContact C-N 3.3Å; K308-L310 PolarHBondContact O-N 3.43Å
311	L	29.4	Very low	28.4	Very low	86 Å²	86	114.8 Å²	114.8	45%	0.45	63%	0.633	S	S	.	*	H	α-helix	trans	-91.5	-16.2	178.2	-71.2	165.6	0	0	0	113.1	K308 G313 I314	K308-L311 PolarHBondContact O-N 2.87Å; L311-G313 VanDerWaalsContact C-N 3.33Å; L311-G313 PolarHBondContact O-N 2.84Å; L311-I314 HydrophobicContact CD2-CD1 4.18Å; L311-I314 PolarHBondContact O-N 2.97Å
312	S	27.2	Very low	28.4	Very low	76 Å²	76	114.9 Å²	114.9	53%	0.531	64%	0.642	S	S	.	*	G	3₁₀ helix	trans	-67.4	-28.5	-178.6	48.1	0	0	0	0	114	K308 N309 I314	K308-S312 PolarHBondContact O-N 2.68Å; N309-S312 WeakPolarHBondContact CA-OG 3.45Å; N309-S312 PolarHBondContact O-OG 3Å; S312-I314 PolarHBondContact O-N 3Å
313	G	28.1	Very low	28.1	Very low	67 Å²	67	120 Å²	120	69%	0.691	67%	0.667	S	S	*	*	G	3₁₀ helix	trans	-66.4	-20.2	175.3	0	0	0	0	0	114.2	L311	L311-G313 VanDerWaalsContact C-N 3.33Å; L311-G313 PolarHBondContact O-N 2.84Å
314	I	30.2	Very low	27.7	Very low	120 Å²	120	122.1 Å²	122.1	62%	0.615	67%	0.669	S	S	*	*	G	3₁₀ helix	trans	-85.8	-12.7	-173	-62.5	171	0	0	0	111.9	L311 S312 S316	L311-I314 HydrophobicContact CD2-CD1 4.18Å; L311-I314 PolarHBondContact O-N 2.97Å; S312-I314 PolarHBondContact O-N 3Å; I314-S316 PolarHBondContact O-N 3.39Å
315	R	24.4	Very low	27.3	Very low	242 Å²	242	124 Å²	124	91%	0.913	69%	0.688	S	S	*	*	S	Bend	trans	-96.2	64.5	176.1	-77.8	-168.3	170.1	-157.8	-2.3	113.2
316	S	25.3	Very low	26.9	Very low	93 Å²	93	130 Å²	130	65%	0.65	71%	0.714	S	S	*	*			trans	-144.4	145.7	166	-169.5	0	0	0	0	111.2	I314	I314-S316 PolarHBondContact O-N 3.39Å
317	K	24.6	Very low	26.9	Very low	206 Å²	206	131.4 Å²	131.4	90%	0.896	73%	0.725	S	S	*	*	S	Bend	trans	67.8	48.6	179.7	-53.5	177.7	-176.7	171.3	0	117.5
318	C	24	Very low	26.8	Very low	136 Å²	136	130.5 Å²	130.5	92%	0.919	73%	0.731	S	S	*	*			trans	-135.7	116.9	141.9	-140.5	0	0	0	0	109
319	G	23.2	Very low	27.1	Very low	71 Å²	71	128.8 Å²	128.8	73%	0.732	73%	0.73	S	S	*	*			trans	-105.9	124.3	-167.2	0	0	0	0	0	113.3
320	T	25.3	Very low	27.4	Very low	149 Å²	149	128.1 Å²	128.1	91%	0.914	73%	0.726	S	S	*	*			trans	-159.1	151.8	145.1	4.8	0	0	0	0	110.4
321	S	22.6	Very low	27.5	Very low	104 Å²	104	129 Å²	129	73%	0.727	73%	0.732	S	S	*	*			trans	-70.1	141.6	-172.9	51.8	0	0	0	0	115
322	V	26.7	Very low	27.8	Very low	131 Å²	131	131.6 Å²	131.6	79%	0.794	75%	0.746	S	S	*	*				-141.1	135.5	127.6	177	0	0	0	0	108.1	Y324	V322-Y324 HydrophobicContact CG1-CD2 4.35Å; V322-Y324 HydrophobicContact CG1-CE2 4.18Å
323	Q	22.5	Very low	28	Very low	171 Å²	171	135.3 Å²	135.3	80%	0.799	76%	0.76	S	S	*	*			trans	-94.7	150.9	173.1	-61.2	166.1	-63	0	0	110.5
324	Y	26.7	Very low	28.4	Very low	227 Å²	227	138 Å²	138	89%	0.89	77%	0.768	S	S	*	*			trans	-136.4	155.8	147.7	-90.5	-74.3	0	0	0	109.6	V322	V322-Y324 HydrophobicContact CG1-CD2 4.35Å; V322-Y324 HydrophobicContact CG1-CE2 4.18Å
325	S	25.3	Very low	28.6	Very low	86 Å²	86	139.7 Å²	139.7	60%	0.601	78%	0.778	S	S	*	*			trans	-147.7	165.8	-145.9	51.6	0	0	0	0	113.9
326	H	26.8	Very low	29	Very low	183 Å²	183	134.6 Å²	134.6	85%	0.847	77%	0.769	S	S	*	*			trans	67.4	150	172.5	-61.4	-70	0	0	0	114.9
327	A	30	Very low	29.1	Very low	83 Å²	83	136.6 Å²	136.6	69%	0.686	77%	0.772	S	S	*	*			cis	-166.9	166.9	-3.9	0	0	0	0	0	107.4
328	S	30.6	Very low	29.2	Very low	89 Å²	89	134.2 Å²	134.2	62%	0.622	77%	0.769	S	S	*	*			cis	-169.3	179.9	-18.4	47.4	0	0	0	0	108.4
329	D	34.3	Very low	29.3	Very low	131 Å²	131	132.2 Å²	132.2	70%	0.701	76%	0.762	S	S	*	*			trans	77	108.6	154.3	-44.4	-36.3	0	0	0	120.7
330	D	36.1	Very low	29.5	Very low	129 Å²	129	137.1 Å²	137.1	69%	0.69	77%	0.766	S	S	*	*				90.1	87.9	124.3	-64.6	-5.4	0	0	0	123.8
331	N	33.5	Very low	29.5	Very low	130 Å²	130	136.8 Å²	136.8	70%	0.695	76%	0.757	S	S	*	*				92.2	145.6	110.7	-60.5	-27.8	0	0	0	123.7
332	D	35.2	Very low	29.7	Very low	140 Å²	140	141.5 Å²	141.5	75%	0.749	77%	0.765	S	S	*	*			trans	66.7	95.9	153.8	-58.3	-5.3	0	0	0	121.8
333	D	33.2	Very low	29.6	Very low	153 Å²	153	140.3 Å²	140.3	82%	0.818	77%	0.768	S	S	*	*				32.9	116.3	120.5	-63.3	-0.6	0	0	0	120.3
334	S	36.7	Very low	29.7	Very low	124 Å²	124	140.9 Å²	140.9	87%	0.867	77%	0.771	S	S	*	*				-175.3	158	113.8	31.3	0	0	0	0	112.9
335	D	32.7	Very low	29.6	Very low	155 Å²	155	139 Å²	139	83%	0.829	77%	0.771	S	S	*	*			trans	-85.2	167.6	-168.2	-66.6	-72.1	0	0	0	116.4
336	D	32.4	Very low	29.6	Very low	136 Å²	136	141.4 Å²	141.4	73%	0.727	79%	0.786	S	S	*	*			trans	75	106.5	147.1	-89	-4.2	0	0	0	122.2
337	L	28.7	Very low	29.5	Very low	135 Å²	135	136 Å²	136	71%	0.707	78%	0.78	S	S	*	*				80.2	125.7	126.8	-62.4	167.4	0	0	0	121
338	N	26.8	Very low	29.2	Very low	155 Å²	155	137.3 Å²	137.3	83%	0.829	78%	0.784	S	S	*	*			trans	75.4	73.3	154.8	-54.5	-36.7	0	0	0	119.1
339	A	26.8	Very low	29	Very low	95 Å²	95	138 Å²	138	79%	0.785	78%	0.784	S	S	*	*			trans	-134.7	121.6	139.4	0	0	0	0	0	106.7
340	E	26	Very low	28.6	Very low	174 Å²	174	135.4 Å²	135.4	81%	0.813	78%	0.776	S	S	*	*				52.6	105.7	64.8	-72.1	-153.7	138.3	0	0	115
341	I	26.6	Very low	28.1	Very low	141 Å²	141	135.6 Å²	135.6	72%	0.723	78%	0.777	S	S	*	*			trans	60.2	84.4	145.1	-45.4	168.8	0	0	0	116.4
342	K	25.1	Very low	27.9	Very low	203 Å²	203	133.3 Å²	133.3	88%	0.883	77%	0.768	S	S	*	*			trans	179.3	109.3	133	-97.1	148.1	-168.9	169.9	0	112.7
343	A	25.8	Very low	27.6	Very low	106 Å²	106	134 Å²	134	88%	0.876	77%	0.771	S	S	*	*			trans	-162.7	58.1	164.9	0	0	0	0	0	110.2
344	E	24.7	Very low	27.4	Very low	183 Å²	183	131.2 Å²	131.2	86%	0.855	76%	0.756	S	S	*	*			trans	-78.6	172.6	169.4	-66.9	-178.1	117.2	0	0	110.9
345	E	24.4	Very low	27	Very low	189 Å²	189	129.3 Å²	129.3	88%	0.883	74%	0.743	S	S	*	*			trans	69.5	58	171.7	-54.7	-157.8	138.4	0	0	118.9
346	C	24.9	Very low	27.1	Very low	135 Å²	135	127.7 Å²	127.7	91%	0.912	73%	0.733	S	S	*	*	S	Bend	trans	-155.1	96.8	143.9	-107.9	0	0	0	0	114.8
347	G	25.2	Very low	27.1	Very low	70 Å²	70	129.8 Å²	129.8	72%	0.722	73%	0.731	S	S	*	*			trans	75.1	107.4	160.6	0	0	0	0	0	116.6	V349	G347-V349 PolarHBondContact O-N 2.78Å; G347-V349 VanDerWaalsContact O-N 3.1Å
348	S	23	Very low	27.8	Very low	110 Å²	110	128.5 Å²	128.5	77%	0.769	72%	0.718	S	S	*	*			trans	-69.5	101.1	171.5	50.5	0	0	0	0	111.7	S350	S348-S350 VanDerWaalsContact C-N 3.27Å; S348-S350 PolarHBondContact O-N 2.82Å; S348-S350 VanDerWaalsContact O-N 3.12Å
349	V	27.6	Very low	28.7	Very low	105 Å²	105	124.3 Å²	124.3	64%	0.636	70%	0.7	S	S	*	*			trans	-85.8	68.8	172.4	-171.6	0	0	0	0	109.7	G347 T352	G347-V349 PolarHBondContact O-N 2.78Å; G347-V349 VanDerWaalsContact O-N 3.1Å; V349-T352 HydrophobicContact CG1-CG2 3.67Å
350	S	24.5	Very low	29.9	Very low	76 Å²	76	124.4 Å²	124.4	53%	0.531	70%	0.695	S	S	.	*			trans	-92.4	-23	178	41	0	0	0	0	114	S348 T352	S348-S350 VanDerWaalsContact C-N 3.27Å; S348-S350 PolarHBondContact O-N 2.82Å; S348-S350 VanDerWaalsContact O-N 3.12Å; S350-T352 PolarHBondContact O-N 2.82Å
351	D	26.3	Very low	31.6	Very low	132 Å²	132	116.9 Å²	116.9	71%	0.706	66%	0.661	S	S	*	*			trans	-97.6	7.1	-156.5	-54.5	-4.5	0	0	0	113.6	L353	D351-L353 PolarHBondContact O-N 3.35Å
352	T	29.4	Very low	33.4	Very low	82 Å²	82	113.4 Å²	113.4	50%	0.503	64%	0.641	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.6	13.7	-174.8	54	0	0	0	0	114.8	V349 S350	V349-T352 HydrophobicContact CG1-CG2 3.67Å; S350-T352 PolarHBondContact O-N 2.82Å
353	L	29.1	Very low	35.5	Very low	154 Å²	154	107 Å²	107	81%	0.806	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.6	-19.6	-178.3	-149.3	74.8	0	0	0	114	D351	D351-L353 PolarHBondContact O-N 3.35Å
354	D	27.9	Very low	37.5	Very low	95 Å²	95	102.7 Å²	102.7	51%	0.508	58%	0.579	S	S	.	*	S	Bend	trans	-92.5	-14.6	179.1	-84	-39.3	0	0	0	114.3	L356 R357	D354-L356 PolarHBondContact O-N 3.07Å; D354-R357 PolarHBondContact O-N 3.29Å; D354-R357 VanDerWaalsContact O-N 3.09Å; D354-R357 IonicContact OD1-CZ 3.14Å; D354-R357 IonicContact OD1-NE 3.6Å; D354-R357 PolarHBondContact OD1-NE 3.09Å; D354-R357 IonicContact OD1-NH2 3.97Å; D354-R357 PolarHBondContact OD1-NH2 3.01Å
355	S	30.2	Very low	39.8	Very low	85 Å²	85	99.3 Å²	99.3	59%	0.594	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	7.9	-176.4	58.9	0	0	0	0	115.9
356	L	33.3	Very low	42.2	Very low	121 Å²	121	90.7 Å²	90.7	63%	0.634	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.7	-1.6	172.8	-78.6	164.4	0	0	0	113.3	S105 D354	S105-L356 VanDerWaalsContact CB-CD1 3.47Å; D354-L356 PolarHBondContact O-N 3.07Å
357	R	33.1	Very low	44.7	Very low	179 Å²	179	86.4 Å²	86.4	68%	0.675	49%	0.489	S	S	*	.	S	Bend	trans	-70.9	147.2	163.5	-57.3	-170.4	-161	-164.4	9.6	108.8	D354 C359	D354-R357 PolarHBondContact O-N 3.29Å; D354-R357 VanDerWaalsContact O-N 3.09Å; D354-R357 IonicContact OD1-CZ 3.14Å; D354-R357 IonicContact OD1-NE 3.6Å; D354-R357 PolarHBondContact OD1-NE 3.09Å; D354-R357 IonicContact OD1-NH2 3.97Å; D354-R357 PolarHBondContact OD1-NH2 3.01Å; R357-C359 PolarHBondContact O-N 3.07Å
358	Y	43.5	Very low	47.2	Very low	108 Å²	108	83.1 Å²	83.1	42%	0.424	46%	0.455	S	S	.	.			trans	-48.4	108.1	174.8	-70	-86.9	0	0	0	110.8
359	C	44.7	Very low	49.8	Very low	68 Å²	68	80 Å²	80	46%	0.459	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-60.7	138.8	175.5	-70.2	0	0	0	0	109.4	G213 R357 T361	G213-C359 WeakPolarHBondContact CA-O 3.34Å; R357-C359 PolarHBondContact O-N 3.07Å; C359-T361 PolarHBondContact O-N 3Å
360	S	53.1	Low	52.3	Low	97 Å²	97	76.1 Å²	76.1	68%	0.678	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-60.7	127.7	173.7	44.2	0	0	0	0	109.8	Q362	S360-Q362 PolarHBondContact O-N 2.77Å
361	T	61.7	Low	54.9	Low	15 Å²	15	79 Å²	79	9%	0.092	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-57.7	122.1	178.8	-53.6	0	0	0	0	110.1	T212 L215 R218 C359	T212-T361 PolarHBondContact O-OG1 3.45Å; L215-T361 HydrophobicContact CB-CG2 3.45Å; L215-T361 VanDerWaalsContact CB-CG2 3.45Å; L215-T361 HydrophobicContact CD1-CG2 4.37Å; L215-T361 WeakPolarHBondContact O-CB 3.35Å; L215-T361 WeakPolarHBondContact O-CG2 3.33Å; L215-T361 PolarHBondContact O-OG1 2.75Å; R218-T361 HydrophobicContact CG-CG2 3.68Å; C359-T361 PolarHBondContact O-N 3Å
362	Q	64.8	Low	57.4	Low	69 Å²	69	77.2 Å²	77.2	32%	0.322	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	122.9	-174.3	-59.1	-169.7	-14.4	0	0	111.5	S216 A217 R218 S360 I364	S216-Q362 PolarHBondContact O-N 3.46Å; A217-Q362 CarbonylContact C-O 3.51Å; A217-Q362 WeakPolarHBondContact CA-O 3.5Å; A217-Q362 WeakPolarHBondContact CB-O 3.43Å; R218-Q362 PolarHBondContact N-O 2.87Å; S360-Q362 PolarHBondContact O-N 2.77Å; Q362-I364 HydrophobicContact CB-CG1 4.48Å; Q362-I364 PolarHBondContact O-N 3.33Å
363	D	68.1	Low	59.8	Low	69 Å²	69	73.9 Å²	73.9	37%	0.369	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	114.4	172.1	-80.2	14.1	0	0	0	109.7	R218 I220	R218-D363 WeakPolarHBondContact CB-OD1 3.46Å; R218-D363 VanDerWaalsContact CD-OD1 3.29Å; R218-D363 WeakPolarHBondContact CD-OD1 3.34Å; R218-D363 VanDerWaalsContact CG-OD1 3.32Å; R218-D363 WeakPolarHBondContact CG-OD1 3.22Å; R218-D363 IonicContact CZ-OD1 2.86Å; R218-D363 IonicContact NE-OD1 2.99Å; R218-D363 IonicContact NH1-OD1 2.7Å; R218-D363 PolarHBondContact NH1-OD1 2.87Å; I220-D363 HydrophobicContact CD1-CB 4.41Å
364	I	69.1	Low	61.8	Low	15 Å²	15	68.2 Å²	68.2	8%	0.077	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	107.9	-176.3	-56.1	-179.2	0	0	0	108.5	A217 R218 L219 I220 L262 A263 Q362 I366	A217-I364 HydrophobicContact CB-CD1 3.88Å; A217-I364 HydrophobicContact CB-CG1 4.34Å; R218-I364 PolarHBondContact O-N 3.4Å; L219-I364 HydrophobicContact CD2-CB 3.99Å; L219-I364 HydrophobicContact CD2-CD1 4.07Å; L219-I364 HydrophobicContact CD2-CG1 4.46Å; L219-I364 HydrophobicContact CD2-CG2 4.36Å; I220-I364 PolarHBondContact N-O 3.31Å; L262-I364 HydrophobicContact CB-CG2 4.1Å; A263-I364 HydrophobicContact CB-CG2 4.33Å; Q362-I364 HydrophobicContact CB-CG1 4.48Å; Q362-I364 PolarHBondContact O-N 3.33Å; I364-I366 HydrophobicContact CG2-CD1 4.21Å; I364-I366 HydrophobicContact CG2-CG1 3.98Å
365	R	71.5	Confident	63.6	Low	112 Å²	112	67 Å²	67	42%	0.423	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	128.4	176.1	-65.5	-179.1	-176.8	-179.7	2.8	110.7	I220	I220-R365 HydrophobicContact CB-CG 4.14Å; I220-R365 HydrophobicContact CD1-CG 4.25Å; I220-R365 HydrophobicContact CG2-CG 4.39Å; I220-R365 CarbonylContact O-C 3.51Å; I220-R365 WeakPolarHBondContact O-CA 3.43Å
366	I	74.8	Confident	64.6	Low	8 Å²	8	66.6 Å²	66.6	4%	0.041	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	148.3	-176.7	-43.5	-177.7	0	0	0	108.4	L219 I220 V221 N222 W251 L262 I364 V368	L219-I366 HydrophobicContact CD2-CD1 4.42Å; I220-I366 PolarHBondContact O-N 2.83Å; V221-I366 HydrophobicContact CG2-CB 4.27Å; V221-I366 HydrophobicContact CG2-CD1 4.31Å; N222-I366 PolarHBondContact N-O 2.8Å; W251-I366 HydrophobicContact CH2-CG2 3.76Å; W251-I366 HydrophobicContact CZ3-CD1 4.31Å; W251-I366 HydrophobicContact CZ3-CG2 3.82Å; L262-I366 HydrophobicContact CB-CD1 4.02Å; L262-I366 WeakPolarHBondContact O-CG2 3.32Å; I364-I366 HydrophobicContact CG2-CD1 4.21Å; I364-I366 HydrophobicContact CG2-CG1 3.98Å; I366-V368 HydrophobicContact CG2-CG2 3.49Å; I366-V368 VanDerWaalsContact CG2-CG2 3.49Å
367	S	77.2	Confident	65.2	Low	44 Å²	44	70.8 Å²	70.8	31%	0.308	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	121	164.7	-56.5	0	0	0	0	108.2	N222	N222-S367 PolarHBondContact ND2-OG 3.06Å; N222-S367 WeakPolarHBondContact O-CA 3.36Å
368	V	78	Confident	65.1	Low	1 Å²	1	70.7 Å²	70.7	1%	0.006	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	133.4	-173.2	-169.8	0	0	0	0	107.5	V221 N222 L223 T224 W251 I366 D372 L373	V221-V368 HydrophobicContact CG1-CB 4.46Å; V221-V368 HydrophobicContact CG1-CG2 3.99Å; N222-V368 PolarHBondContact O-N 2.95Å; L223-V368 WeakPolarHBondContact CA-O 3.45Å; L223-V368 HydrophobicContact CD2-CB 4.41Å; T224-V368 PolarHBondContact N-O 3.35Å; T224-V368 VanDerWaalsContact N-O 3.11Å; W251-V368 HydrophobicContact CD2-CG1 4.2Å; W251-V368 HydrophobicContact CD2-CG2 4.28Å; W251-V368 HydrophobicContact CE3-CG2 4.15Å; W251-V368 HydrophobicContact CG-CG1 4.39Å; W251-V368 HydrophobicContact CH2-CG2 3.96Å; W251-V368 HydrophobicContact CZ2-CG1 4.34Å; W251-V368 HydrophobicContact CZ2-CG2 4.04Å; W251-V368 HydrophobicContact CZ3-CG2 4.01Å; I366-V368 HydrophobicContact CG2-CG2 3.49Å; I366-V368 VanDerWaalsContact CG2-CG2 3.49Å; V368-D372 HydrophobicContact CG1-CB 3.97Å; V368-L373 HydrophobicContact CG1-CD2 3.62Å; V368-L373 HydrophobicContact CG1-CG 4.28Å
369	D	79.1	Confident	64.6	Low	44 Å²	44	70.5 Å²	70.5	24%	0.235	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	143.7	172.6	-157.2	-87.5	0	0	0	109.9	T224 N371 D372	T224-D369 CarbonylContact O-C 3.55Å; T224-D369 WeakPolarHBondContact O-CA 3.36Å; T224-D369 WeakPolarHBondContact OG1-CA 3.44Å; T224-D369 PolarHBondContact OG1-OD2 2.87Å; D369-N371 PolarHBondContact O-N 2.88Å; D369-N371 VanDerWaalsContact O-N 3.14Å; D369-N371 WeakPolarHBondContact OD1-CB 3.49Å; D369-N371 PolarHBondContact OD1-N 3.21Å; D369-N371 VanDerWaalsContact OD1-N 3.1Å; D369-N371 PolarHBondContact OD1-ND2 2.84Å; D369-D372 HydrophobicContact CB-CB 4.49Å; D369-D372 WeakPolarHBondContact O-CB 3.31Å; D369-D372 PolarHBondContact O-N 3.15Å
370	I	79.8	Confident	63.8	Low	25 Å²	25	76.3 Å²	76.3	13%	0.128	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-59.2	-27.1	177.4	-166.6	166.5	0	0	0	111.8	T224 F227 L244 L373 L375	T224-I370 PolarHBondContact O-N 3.39Å; F227-I370 HydrophobicContact CD1-CD1 4.22Å; F227-I370 HydrophobicContact CE1-CD1 3.64Å; F227-I370 HydrophobicContact CZ-CD1 4.11Å; L244-I370 HydrophobicContact CD2-CD1 4.02Å; L244-I370 HydrophobicContact CD2-CG1 4.22Å; I370-L373 PolarHBondContact O-N 2.8Å; I370-L375 HydrophobicContact CG1-CD1 4.17Å
371	N	77.7	Confident	62.9	Low	135 Å²	135	74.8 Å²	74.8	72%	0.722	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-77.3	-17.6	175.5	-59.3	-80.4	0	0	0	113.6	D369 L373	D369-N371 PolarHBondContact O-N 2.88Å; D369-N371 VanDerWaalsContact O-N 3.14Å; D369-N371 WeakPolarHBondContact OD1-CB 3.49Å; D369-N371 PolarHBondContact OD1-N 3.21Å; D369-N371 VanDerWaalsContact OD1-N 3.1Å; D369-N371 PolarHBondContact OD1-ND2 2.84Å; N371-L373 VanDerWaalsContact C-N 3.29Å
372	D	79.5	Confident	61.6	Low	95 Å²	95	79.4 Å²	79.4	51%	0.508	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-80.2	-10.3	172.9	-69.5	-32.1	0	0	0	112.1	V368 D369	V368-D372 HydrophobicContact CG1-CB 3.97Å; D369-D372 HydrophobicContact CB-CB 4.49Å; D369-D372 WeakPolarHBondContact O-CB 3.31Å; D369-D372 PolarHBondContact O-N 3.15Å
373	L	80	Confident	59.9	Low	12 Å²	12	81.2 Å²	81.2	6%	0.063	43%	0.433	C	S	.	.	S	Bend	trans	-83.9	136	-176.1	-62.1	-178.5	0	0	0	112	L223 L244 V248 W251 V368 I370 N371 L375	L223-L373 HydrophobicContact CD2-CD1 4Å; L244-L373 HydrophobicContact CD2-CD1 4.08Å; V248-L373 HydrophobicContact CB-CD2 4.43Å; V248-L373 HydrophobicContact CG2-CD1 3.93Å; V248-L373 HydrophobicContact CG2-CD2 3.76Å; W251-L373 HydrophobicContact CB-CD2 4.1Å; W251-L373 HydrophobicContact CG-CD2 4.33Å; V368-L373 HydrophobicContact CG1-CD2 3.62Å; V368-L373 HydrophobicContact CG1-CG 4.28Å; I370-L373 PolarHBondContact O-N 2.8Å; N371-L373 VanDerWaalsContact C-N 3.29Å; L373-L375 VanDerWaalsContact C-N 3.25Å; L373-L375 HydrophobicContact CB-CD1 3.87Å; L373-L375 HydrophobicContact CB-CD2 4.38Å; L373-L375 HydrophobicContact CB-CG 3.72Å; L373-L375 HydrophobicContact CD1-CD1 4.25Å; L373-L375 PolarHBondContact O-N 2.72Å
374	P	71.6	Confident	58.3	Low	36 Å²	36	84.7 Å²	84.7	23%	0.234	45%	0.452	C	S	.	.			trans	-74.4	74.3	176.5	30.4	-35.1	0	0	0	111.8	R250	R250-P374 HydrophobicContact CB-CG 3.89Å; R250-P374 HydrophobicContact CG-CB 4.48Å; R250-P374 HydrophobicContact CG-CG 3.68Å
375	L	65.4	Low	56.8	Low	70 Å²	70	89.1 Å²	89.1	37%	0.366	47%	0.474	S	S	.	.			trans	-99.1	44.8	-175.8	-63.1	173.5	0	0	0	112.9	L244 I370 L373	L244-L375 HydrophobicContact CD2-CD1 4.23Å; I370-L375 HydrophobicContact CG1-CD1 4.17Å; L373-L375 VanDerWaalsContact C-N 3.25Å; L373-L375 HydrophobicContact CB-CD1 3.87Å; L373-L375 HydrophobicContact CB-CD2 4.38Å; L373-L375 HydrophobicContact CB-CG 3.72Å; L373-L375 HydrophobicContact CD1-CD1 4.25Å; L373-L375 PolarHBondContact O-N 2.72Å
376	S	51.5	Low	54.8	Low	75 Å²	75	87.3 Å²	87.3	52%	0.524	48%	0.479	S	S	.	.			trans	-77.3	131.3	175.6	46.4	0	0	0	0	112	E378	S376-E378 VanDerWaalsContact C-N 3.32Å
377	R	44.7	Very low	52.8	Low	209 Å²	209	96.3 Å²	96.3	79%	0.789	52%	0.521	S	S	*	.	S	Bend	trans	-82.4	-4.8	171.2	-88.7	-174.7	172.1	178.7	-1.3	113.8
378	E	30.7	Very low	50.5	Low	177 Å²	177	99.5 Å²	99.5	83%	0.827	53%	0.534	S	S	*	.			trans	-122.8	76.5	-166	-62.1	-172.1	164.7	0	0	113.2	S376	S376-E378 VanDerWaalsContact C-N 3.32Å
379	E	32.8	Very low	48.3	Very low	105 Å²	105	103.1 Å²	103.1	49%	0.491	57%	0.571	S	S	.	*			trans	-123.8	116.9	160	-73	-176.5	139.3	0	0	108.7	R250 G381	R250-E379 IonicContact CZ-OE2 3.94Å; R250-E379 IonicContact NH1-OE1 3.72Å; R250-E379 IonicContact NH1-OE2 3.99Å; R250-E379 PolarHBondContact NH1-OE2 2.71Å; R250-E379 IonicContact NH2-OE1 2.88Å; R250-E379 PolarHBondContact NH2-OE1 3.31Å; R250-E379 IonicContact NH2-OE2 3.47Å; E379-G381 PolarHBondContact O-N 2.6Å
380	N	29.2	Very low	46.2	Very low	189 Å²	189	106.3 Å²	106.3	100%	1.011	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	57.4	-169.8	-79.5	-57.5	0	0	0	114
381	G	34.1	Very low	44.2	Very low	65 Å²	65	108.1 Å²	108.1	67%	0.67	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-142.3	-11.4	174.3	0	0	0	0	0	114.9	E379 S383	E379-G381 PolarHBondContact O-N 2.6Å; G381-S383 VanDerWaalsContact C-N 3.26Å; G381-S383 PolarHBondContact O-N 3.12Å
382	M	34.2	Very low	42.4	Very low	112 Å²	112	105.3 Å²	105.3	55%	0.552	58%	0.584	S	S	*	*			trans	-83.5	51	-177.2	-67.4	-170	168.5	0	0	113.8	N384 I385	M382-N384 PolarHBondContact O-N 2.97Å; M382-I385 HydrophobicContact CB-CD1 3.99Å; M382-I385 HydrophobicContact CB-CG1 4.22Å; M382-I385 HydrophobicContact SD-CD1 4.22Å
383	S	29.8	Very low	41	Very low	107 Å²	107	101.8 Å²	101.8	75%	0.748	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	-11.8	-179.7	62.3	0	0	0	0	114.9	G381	G381-S383 VanDerWaalsContact C-N 3.26Å; G381-S383 PolarHBondContact O-N 3.12Å
384	N	34.4	Very low	39.6	Very low	142 Å²	142	101.8 Å²	101.8	76%	0.759	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.6	23.7	-170.2	-67.7	12.8	0	0	0	113.6	M382 S386	M382-N384 PolarHBondContact O-N 2.97Å; N384-S386 PolarHBondContact O-N 3.29Å
385	I	37	Very low	38.8	Very low	109 Å²	109	102.2 Å²	102.2	56%	0.559	57%	0.568	S	S	*	*			trans	-73.6	79.8	168.4	-54.4	176.6	0	0	0	108.6	M382	M382-I385 HydrophobicContact CB-CD1 3.99Å; M382-I385 HydrophobicContact CB-CG1 4.22Å; M382-I385 HydrophobicContact SD-CD1 4.22Å
386	S	30	Very low	38.3	Very low	73 Å²	73	100.7 Å²	100.7	51%	0.51	56%	0.563	S	S	.	*			trans	-66.7	131.3	173.3	58.8	0	0	0	0	110.3	N384 N388	N384-S386 PolarHBondContact O-N 3.29Å; S386-N388 PolarHBondContact O-N 3.1Å
387	Q	32.1	Very low	38.4	Very low	197 Å²	197	98 Å²	98	92%	0.921	54%	0.542	S	S	*	.			trans	-74.8	32.5	-174.1	-64.7	-178.7	-28.7	0	0	114.6
388	N	29.9	Very low	38.7	Very low	112 Å²	112	93.1 Å²	93.1	60%	0.599	54%	0.536	S	S	*	.			trans	-88.1	114	174.2	-73	-15.7	0	0	0	109.6	S386 H390 S391	S386-N388 PolarHBondContact O-N 3.1Å; N388-H390 PolarHBondContact O-N 3.05Å; N388-S391 PolarHBondContact O-N 3.03Å
389	G	31.6	Very low	39.4	Very low	76 Å²	76	89.1 Å²	89.1	78%	0.784	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	23.7	-176.7	0	0	0	0	0	116.8
390	H	34.6	Very low	39.8	Very low	111 Å²	111	86.7 Å²	86.7	51%	0.514	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.9	20.7	-178.9	-52.6	-67.2	0	0	0	112.4	N388 D547	N388-H390 PolarHBondContact O-N 3.05Å; H390-D547 PolarHBondContact CE1-O 3.48Å
391	S	38.1	Very low	40.2	Very low	63 Å²	63	86 Å²	86	44%	0.441	52%	0.523	S	S	.	.			trans	-120.4	4.7	-164.3	-59.8	0	0	0	0	117.2	N388	N388-S391 PolarHBondContact O-N 3.03Å
392	L	39.2	Very low	40.8	Very low	77 Å²	77	90.7 Å²	90.7	40%	0.403	53%	0.527	S	S	.	.			trans	-71.8	152.4	150	-63.5	89.6	0	0	0	106.8	E242 V395	E242-L392 HydrophobicContact CB-CD2 3.65Å; E242-L392 HydrophobicContact CG-CD2 3.91Å; L392-V395 HydrophobicContact CD2-CG2 4.42Å
393	L	50.7	Low	41.5	Very low	20 Å²	20	92.4 Å²	92.4	11%	0.105	53%	0.534	C	S	.	.	S	Bend	cis	-148.4	105.9	30.5	-33	81.5	0	0	0	111.5	L201 L408 L409 P411 W422	L201-L393 HydrophobicContact CD2-CD1 4.2Å; L393-L408 CarbonylContact C-O 3.49Å; L393-L408 VanDerWaalsContact C-O 3.24Å; L393-L408 WeakPolarHBondContact CB-O 3.34Å; L393-L408 HydrophobicContact CD2-CD2 4.44Å; L393-L408 HydrophobicContact CD2-CG 4.45Å; L393-L409 VanDerWaalsContact O-O 3.05Å; L393-P411 VanDerWaalsContact CD1-CD 3.44Å; L393-P411 HydrophobicContact CD1-CG 4.4Å; L393-P411 HydrophobicContact CD2-CB 4.41Å; L393-P411 VanDerWaalsContact CD2-CD 3.49Å; L393-P411 HydrophobicContact CD2-CG 4.34Å; L393-W422 HydrophobicContact CD2-CE3 3.76Å; L393-W422 HydrophobicContact CD2-CZ3 3.51Å
394	T	49.7	Very low	42.7	Very low	12 Å²	12	89.2 Å²	89.2	7%	0.074	51%	0.512	C	S	.	.			trans	-157.2	75.1	145.1	-61	0	0	0	0	106.5	F169 Y173 H197 C396 C407 L408 L409	F169-T394 HydrophobicContact CB-CG2 3.88Å; Y173-T394 VanDerWaalsContact CE2-CB 3.47Å; Y173-T394 HydrophobicContact CE2-CG2 4.08Å; Y173-T394 VanDerWaalsContact OH-CB 3.31Å; Y173-T394 WeakPolarHBondContact OH-CB 3.46Å; Y173-T394 PolarHBondContact OH-OG1 3.18Å; H197-T394 PolarHBondContact NE2-OG1 2.78Å; T394-C396 PolarHBondContact O-N 3.42Å; T394-C396 VanDerWaalsContact O-N 3.1Å; T394-C407 HydrophobicContact CG2-CB 3.7Å; T394-L408 VanDerWaalsContact CA-O 3.24Å; T394-L408 WeakPolarHBondContact CA-O 3.4Å; T394-L408 PolarHBondContact N-O 2.87Å; T394-L409 HydrophobicContact CG2-CD2 4.5Å
395	V	54.3	Low	44.2	Very low	46 Å²	46	83 Å²	83	28%	0.279	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	103.2	173.2	-166.9	0	0	0	0	106.9	F246 L392 C407	F246-V395 HydrophobicContact CD2-CB 3.79Å; F246-V395 HydrophobicContact CD2-CG1 3.84Å; F246-V395 HydrophobicContact CE1-CG1 4.22Å; F246-V395 HydrophobicContact CE2-CB 3.6Å; F246-V395 HydrophobicContact CE2-CG1 3.29Å; F246-V395 HydrophobicContact CG-CG1 4.5Å; F246-V395 HydrophobicContact CZ-CB 4.31Å; F246-V395 HydrophobicContact CZ-CG1 3.49Å; F246-V395 VanDerWaalsContact CZ-CG1 3.49Å; L392-V395 HydrophobicContact CD2-CG2 4.42Å; V395-C407 VanDerWaalsContact O-CA 3.29Å; V395-C407 WeakPolarHBondContact O-CA 3.33Å; V395-C407 WeakPolarHBondContact O-CB 3.39Å
396	C	54.8	Low	45.9	Very low	38 Å²	38	77.9 Å²	77.9	26%	0.257	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	122.8	-175.7	-173.6	0	0	0	0	110.6	T394 E405	T394-C396 PolarHBondContact O-N 3.42Å; T394-C396 VanDerWaalsContact O-N 3.1Å; C396-E405 PolarHBondContact SG-OE1 3.04Å
397	L	53.8	Low	48.1	Very low	18 Å²	18	74.4 Å²	74.4	9%	0.094	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	110.8	170.1	-74.6	162.8	0	0	0	109.6	F246 R250 T406	F246-L397 HydrophobicContact CE1-CD2 4.28Å; F246-L397 HydrophobicContact CE2-CD1 4.01Å; F246-L397 HydrophobicContact CE2-CD2 4.11Å; F246-L397 HydrophobicContact CE2-CG 3.75Å; F246-L397 HydrophobicContact CZ-CD1 4.16Å; F246-L397 HydrophobicContact CZ-CD2 3.49Å; F246-L397 VanDerWaalsContact CZ-CD2 3.49Å; F246-L397 HydrophobicContact CZ-CG 3.68Å; R250-L397 HydrophobicContact CB-CD1 3.91Å; R250-L397 HydrophobicContact CG-CD1 4.19Å; R250-L397 HydrophobicContact CG-CD2 4.41Å; L397-T406 HydrophobicContact CD1-CG2 4.06Å; L397-T406 PolarHBondContact N-O 3.31Å
398	T	52.3	Low	50.2	Low	106 Å²	106	65 Å²	65	65%	0.65	38%	0.384	S	S	*	.			trans	-113.1	88.3	175.2	47.7	0	0	0	0	111.3	G400	T398-G400 VanDerWaalsContact C-N 3.27Å; T398-G400 PolarHBondContact O-N 3.5Å
399	T	44.7	Very low	52.4	Low	93 Å²	93	59.7 Å²	59.7	57%	0.571	36%	0.355	S	S	*	.			trans	-81.1	67.8	178.3	53.5	0	0	0	0	112	F253	F253-T399 HydrophobicContact CE1-CG2 4.47Å
400	G	40.7	Very low	54.7	Low	54 Å²	54	56.1 Å²	56.1	56%	0.557	32%	0.318	S	S	*	.	S	Bend	trans	77.8	-168.1	178.7	0	0	0	0	0	114.7	T398 Q402	T398-G400 VanDerWaalsContact C-N 3.27Å; T398-G400 PolarHBondContact O-N 3.5Å; G400-Q402 VanDerWaalsContact C-N 3.31Å; G400-Q402 PolarHBondContact O-N 3.16Å
401	N	38.8	Very low	56.6	Low	175 Å²	175	53.6 Å²	53.6	94%	0.936	31%	0.311	S	S	*	.	S	Bend	trans	-75.1	7.3	-156.7	-71.8	-2.5	0	0	0	117.4
402	Q	46.7	Very low	58.1	Low	164 Å²	164	51.3 Å²	51.3	77%	0.766	30%	0.295	S	S	*	.	S	Bend	trans	-138.4	106	-173.6	-63.9	-165.4	-83.7	0	0	115.9	G400 S404	G400-Q402 VanDerWaalsContact C-N 3.31Å; G400-Q402 PolarHBondContact O-N 3.16Å; Q402-S404 PolarHBondContact O-N 3.09Å
403	E	48.5	Very low	59.4	Low	148 Å²	148	49 Å²	49	69%	0.692	29%	0.285	S	S	*	.	S	Bend	trans	50.7	41.3	136.6	-55	-159.7	132.9	0	0	121
404	S	54.6	Low	59.9	Low	40 Å²	40	48.2 Å²	48.2	28%	0.28	28%	0.281	S	S	.	.			trans	-148.5	98.5	154.7	39.3	0	0	0	0	113.2	Q402	Q402-S404 PolarHBondContact O-N 3.09Å
405	E	65.8	Low	60.2	Low	12 Å²	12	48.9 Å²	48.9	6%	0.056	29%	0.291	C	S	.	.			trans	-78.9	127.3	172.4	175.7	176.7	-117	0	0	111.1	Q168 F169 S170 C396 C407 K425 G428	Q168-E405 WeakPolarHBondContact CA-OE2 3.45Å; F169-E405 WeakPolarHBondContact CA-OE1 3.43Å; F169-E405 VanDerWaalsContact N-CD 3.34Å; F169-E405 PolarHBondContact N-OE1 2.99Å; F169-E405 PolarHBondContact N-OE2 2.83Å; S170-E405 PolarHBondContact N-OE1 2.9Å; C396-E405 PolarHBondContact SG-OE1 3.04Å; E405-C407 HydrophobicContact CG-CB 4.46Å; E405-K425 IonicContact OE2-NZ 3.39Å; E405-K425 PolarHBondContact OE2-NZ 3.33Å; E405-G428 PolarHBondContact O-N 3.33Å
406	T	72.4	Confident	60.2	Low	0 Å²	0	48.5 Å²	48.5	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	129.3	165.5	-69.7	0	0	0	0	108.5	L249 F253 L397 K425 L426 A427	L249-T406 HydrophobicContact CD1-CG2 4.16Å; L249-T406 HydrophobicContact CD2-CG2 3.68Å; L249-T406 HydrophobicContact CG-CG2 3.52Å; F253-T406 HydrophobicContact CB-CG2 4.25Å; F253-T406 WeakPolarHBondContact CD2-OG1 3.03Å; F253-T406 WeakPolarHBondContact CE2-OG1 3.4Å; F253-T406 HydrophobicContact CG-CG2 4.45Å; L397-T406 HydrophobicContact CD1-CG2 4.06Å; L397-T406 PolarHBondContact N-O 3.31Å; T406-K425 CarbonylContact C-O 3.38Å; T406-K425 VanDerWaalsContact CA-O 3.28Å; T406-K425 WeakPolarHBondContact CA-O 3.49Å; T406-L426 HydrophobicContact CG2-CD1 3.88Å; T406-A427 PolarHBondContact OG1-N 2.77Å
407	C	75.7	Confident	60.4	Low	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	148.1	-177.1	61.1	0	0	0	0	114.3	T394 V395 E405 A424 K425	T394-C407 HydrophobicContact CG2-CB 3.7Å; V395-C407 VanDerWaalsContact O-CA 3.29Å; V395-C407 WeakPolarHBondContact O-CA 3.33Å; V395-C407 WeakPolarHBondContact O-CB 3.39Å; E405-C407 HydrophobicContact CG-CB 4.46Å; C407-A424 WeakPolarHBondContact O-CA 3.42Å; C407-K425 PolarHBondContact N-O 3.17Å; C407-K425 PolarHBondContact O-N 2.86Å
408	L	77.6	Confident	60.9	Low	0 Å²	0	57.2 Å²	57.2	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	113.1	174.8	-177.1	67.4	0	0	0	109.5	A245 L249 L393 T394 W422 A424	A245-L408 HydrophobicContact CB-CD1 4.1Å; A245-L408 HydrophobicContact CB-CD2 4.02Å; L249-L408 HydrophobicContact CD2-CB 4.41Å; L393-L408 CarbonylContact C-O 3.49Å; L393-L408 VanDerWaalsContact C-O 3.24Å; L393-L408 WeakPolarHBondContact CB-O 3.34Å; L393-L408 HydrophobicContact CD2-CD2 4.44Å; L393-L408 HydrophobicContact CD2-CG 4.45Å; T394-L408 VanDerWaalsContact CA-O 3.24Å; T394-L408 WeakPolarHBondContact CA-O 3.4Å; T394-L408 PolarHBondContact N-O 2.87Å; L408-W422 HydrophobicContact CD1-CB 3.72Å; L408-W422 HydrophobicContact CD1-CD2 4.19Å; L408-W422 HydrophobicContact CD1-CE3 4Å; L408-W422 HydrophobicContact CD1-CG 4.08Å; L408-W422 HydrophobicContact CD2-CE3 3.95Å; L408-W422 HydrophobicContact CD2-CZ3 4.28Å; L408-W422 HydrophobicContact CG-CE3 4.21Å; L408-A424 HydrophobicContact CD1-CB 4.31Å
409	L	76.5	Confident	61.5	Low	1 Å²	1	53.9 Å²	53.9	1%	0.005	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	-40.5	-166.1	-67.6	170.5	0	0	0	114.5	F169 L200 L201 L393 T394 L423 K425 L430	F169-L409 HydrophobicContact CD2-CD2 4.05Å; F169-L409 HydrophobicContact CE2-CD2 3.99Å; L200-L409 HydrophobicContact CD1-CD1 4.19Å; L200-L409 HydrophobicContact CD1-CD2 4.43Å; L200-L409 HydrophobicContact CD2-CD1 4.45Å; L201-L409 VanDerWaalsContact CD2-O 3.25Å; L201-L409 WeakPolarHBondContact CD2-O 3.08Å; L393-L409 VanDerWaalsContact O-O 3.05Å; T394-L409 HydrophobicContact CG2-CD2 4.5Å; L409-L423 WeakPolarHBondContact CA-O 3.48Å; L409-L423 HydrophobicContact CB-CG 4.43Å; L409-L423 WeakPolarHBondContact CB-O 3.45Å; L409-L423 HydrophobicContact CD1-CG 4.37Å; L409-L423 PolarHBondContact N-O 2.78Å; L409-K425 HydrophobicContact CD1-CB 4.02Å; L409-K425 HydrophobicContact CG-CB 4.36Å; L409-L430 HydrophobicContact CD1-CD1 3.61Å
410	A	79.7	Confident	62.7	Low	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	152.3	-177.6	0	0	0	0	0	111.4	L201 A204 W422 L423	L201-A410 HydrophobicContact CD2-CB 4.18Å; A204-A410 HydrophobicContact CB-CB 3.49Å; A204-A410 VanDerWaalsContact CB-CB 3.49Å; A410-W422 CarbonylContact O-C 3.51Å; A410-W422 WeakPolarHBondContact O-CA 3.39Å; A410-L423 HydrophobicContact CB-CB 4.15Å; A410-L423 PolarHBondContact N-O 3.28Å; A410-L423 VanDerWaalsContact N-O 3.1Å; A410-L423 PolarHBondContact O-N 2.75Å
411	P	74	Confident	64.6	Low	58 Å²	58	49 Å²	49	38%	0.377	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	172.9	158.6	39.4	-32.7	0	0	0	107.1	L393 W422	L393-P411 VanDerWaalsContact CD1-CD 3.44Å; L393-P411 HydrophobicContact CD1-CG 4.4Å; L393-P411 HydrophobicContact CD2-CB 4.41Å; L393-P411 VanDerWaalsContact CD2-CD 3.49Å; L393-P411 HydrophobicContact CD2-CG 4.34Å; P411-W422 HydrophobicContact CB-CE3 3.94Å; P411-W422 HydrophobicContact CB-CH2 4.36Å; P411-W422 HydrophobicContact CB-CZ3 3.82Å
412	T	68.9	Low	66.7	Low	15 Å²	15	41.4 Å²	41.4	9%	0.092	22%	0.217	C	C	.	.			trans	-125.5	150.8	165.4	66.7	0	0	0	0	108.7	D205 A208 L414 I421	D205-T412 WeakPolarHBondContact OD1-CA 3.3Å; D205-T412 WeakPolarHBondContact OD1-CB 3.09Å; A208-T412 HydrophobicContact CB-CG2 3.53Å; T412-L414 HydrophobicContact CG2-CD1 4.32Å; T412-L414 PolarHBondContact O-N 2.92Å; T412-L414 VanDerWaalsContact O-N 3.12Å; T412-I421 HydrophobicContact CG2-CG2 4.25Å; T412-I421 PolarHBondContact N-O 3.36Å; T412-I421 VanDerWaalsContact OG1-C 3.25Å; T412-I421 WeakPolarHBondContact OG1-CB 3.42Å; T412-I421 VanDerWaalsContact OG1-CG2 3.3Å; T412-I421 WeakPolarHBondContact OG1-CG2 3.33Å; T412-I421 PolarHBondContact OG1-O 2.92Å
413	S	66	Low	68.7	Low	28 Å²	28	33.6 Å²	33.6	20%	0.196	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	20.7	175.1	79.7	0	0	0	0	113	D205 R821 W934	D205-S413 PolarHBondContact OD1-N 3.33Å; D205-S413 WeakPolarHBondContact OD2-CB 3.3Å; D205-S413 PolarHBondContact OD2-N 3.5Å; D205-S413 PolarHBondContact OD2-OG 2.94Å; S413-R821 VanDerWaalsContact CB-NH2 3.33Å; S413-R821 VanDerWaalsContact OG-CZ 3.28Å; S413-R821 PolarHBondContact OG-NH1 3.18Å; S413-R821 PolarHBondContact OG-NH2 2.98Å; S413-W934 PolarHBondContact O-NE1 2.8Å
414	L	61.1	Low	70.5	Confident	5 Å²	5	26.6 Å²	26.6	3%	0.026	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-4.1	-176	-53.1	172	0	0	0	113.5	A208 C209 T412 I421 L531 A532 I535	A208-L414 HydrophobicContact CB-CD1 4.47Å; C209-L414 HydrophobicContact CB-CD1 4.47Å; T412-L414 HydrophobicContact CG2-CD1 4.32Å; T412-L414 PolarHBondContact O-N 2.92Å; T412-L414 VanDerWaalsContact O-N 3.12Å; L414-I421 HydrophobicContact CB-CB 4.42Å; L414-I421 HydrophobicContact CB-CD1 4.08Å; L414-L531 HydrophobicContact CD2-CD2 3.64Å; L414-A532 HydrophobicContact CD1-CB 4.21Å; L414-A532 HydrophobicContact CD2-CB 3.83Å; L414-I535 HydrophobicContact CD2-CD1 3.56Å
415	G	56.1	Low	71.9	Confident	26 Å²	26	24.9 Å²	24.9	27%	0.268	14%	0.136	S	C	.	.			trans	-71.3	138.7	179.5	0	0	0	0	0	113.1	T419	G415-T419 CarbonylContact C-O 3.54Å; G415-T419 WeakPolarHBondContact CA-O 3.25Å
416	I	54.8	Low	72.8	Confident	38 Å²	38	24.7 Å²	24.7	20%	0.195	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	-134.8	131.4	-180	-60.5	-173.4	0	0	0	110.1	S418 T419 M523 F856	I416-S418 PolarHBondContact O-N 2.67Å; I416-T419 PolarHBondContact N-O 3.1Å; I416-T419 WeakPolarHBondContact O-CB 3.22Å; I416-T419 PolarHBondContact O-N 3.41Å; I416-M523 HydrophobicContact CD1-SD 3.64Å; I416-M523 HydrophobicContact CG1-SD 4.45Å; I416-F856 HydrophobicContact CD1-CD2 4.19Å; I416-F856 HydrophobicContact CD1-CE2 4.29Å
417	R	58.7	Low	73	Confident	186 Å²	186	26.4 Å²	26.4	70%	0.702	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.4	-118.1	179.6	-64.5	172.4	174.6	-172.3	-4.4	111.9	T419 Y857	R417-T419 VanDerWaalsContact C-N 3.29Å; R417-Y857 VanDerWaalsContact NH2-CB 3.33Å; R417-Y857 VanDerWaalsContact NH2-CD2 3.32Å
418	S	64.5	Low	72.9	Confident	52 Å²	52	26.9 Å²	26.9	36%	0.364	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	5.2	178.8	63.8	0	0	0	0	113.9	I416 K436 R437	I416-S418 PolarHBondContact O-N 2.67Å; S418-K436 WeakPolarHBondContact O-CA 3.41Å; S418-R437 WeakPolarHBondContact CB-O 3.4Å; S418-R437 PolarHBondContact O-N 3.15Å; S418-R437 PolarHBondContact OG-O 2.97Å
419	T	64.7	Low	73	Confident	37 Å²	37	28.6 Å²	28.6	23%	0.227	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	117.7	177.4	-52.5	0	0	0	0	110.6	G415 I416 R417 I421 S434 I435	G415-T419 CarbonylContact C-O 3.54Å; G415-T419 WeakPolarHBondContact CA-O 3.25Å; I416-T419 PolarHBondContact N-O 3.1Å; I416-T419 WeakPolarHBondContact O-CB 3.22Å; I416-T419 PolarHBondContact O-N 3.41Å; R417-T419 VanDerWaalsContact C-N 3.29Å; T419-I421 HydrophobicContact CG2-CG1 4.29Å; T419-S434 WeakPolarHBondContact CG2-OG 3.49Å; T419-I435 CarbonylContact C-O 3.58Å; T419-I435 VanDerWaalsContact CA-O 3.26Å; T419-I435 WeakPolarHBondContact CA-O 3.45Å
420	S	71.5	Confident	73.5	Confident	17 Å²	17	28.5 Å²	28.5	12%	0.119	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	138.4	170.4	65.6	0	0	0	0	110.5	W422 S434 I435	S420-W422 PolarHBondContact OG-NE1 2.87Å; S420-S434 CarbonylContact O-C 3.57Å; S420-S434 WeakPolarHBondContact O-CA 3.25Å; S420-I435 PolarHBondContact N-O 2.68Å; S420-I435 PolarHBondContact O-N 2.94Å
421	I	78.9	Confident	73.8	Confident	26 Å²	26	28.8 Å²	28.8	13%	0.133	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	133.2	-177.8	-57.8	-179.2	0	0	0	109.2	T412 L414 T419 L433	T412-I421 HydrophobicContact CG2-CG2 4.25Å; T412-I421 PolarHBondContact N-O 3.36Å; T412-I421 VanDerWaalsContact OG1-C 3.25Å; T412-I421 WeakPolarHBondContact OG1-CB 3.42Å; T412-I421 VanDerWaalsContact OG1-CG2 3.3Å; T412-I421 WeakPolarHBondContact OG1-CG2 3.33Å; T412-I421 PolarHBondContact OG1-O 2.92Å; L414-I421 HydrophobicContact CB-CB 4.42Å; L414-I421 HydrophobicContact CB-CD1 4.08Å; T419-I421 HydrophobicContact CG2-CG1 4.29Å; I421-L433 CarbonylContact C-O 3.55Å; I421-L433 WeakPolarHBondContact CA-O 3.26Å
422	W	84.5	Confident	74.4	Confident	17 Å²	17	26.3 Å²	26.3	6%	0.064	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	155	-174.6	-51.7	78.1	0	0	0	111	N241 E242 A245 L393 L408 A410 P411 S420 S432 L433	N241-W422 HydrophobicContact CB-CH2 4.27Å; N241-W422 HydrophobicContact CB-CZ2 3.63Å; E242-W422 HydrophobicContact CB-CH2 4.27Å; E242-W422 HydrophobicContact CB-CZ3 4.49Å; E242-W422 HydrophobicContact CG-CH2 3.52Å; E242-W422 HydrophobicContact CG-CZ3 3.86Å; A245-W422 HydrophobicContact CB-CD2 3.93Å; A245-W422 HydrophobicContact CB-CG 4.02Å; L393-W422 HydrophobicContact CD2-CE3 3.76Å; L393-W422 HydrophobicContact CD2-CZ3 3.51Å; L408-W422 HydrophobicContact CD1-CB 3.72Å; L408-W422 HydrophobicContact CD1-CD2 4.19Å; L408-W422 HydrophobicContact CD1-CE3 4Å; L408-W422 HydrophobicContact CD1-CG 4.08Å; L408-W422 HydrophobicContact CD2-CE3 3.95Å; L408-W422 HydrophobicContact CD2-CZ3 4.28Å; L408-W422 HydrophobicContact CG-CE3 4.21Å; A410-W422 CarbonylContact O-C 3.51Å; A410-W422 WeakPolarHBondContact O-CA 3.39Å; P411-W422 HydrophobicContact CB-CE3 3.94Å; P411-W422 HydrophobicContact CB-CH2 4.36Å; P411-W422 HydrophobicContact CB-CZ3 3.82Å; S420-W422 PolarHBondContact OG-NE1 2.87Å; W422-S432 CarbonylContact O-C 3.24Å; W422-S432 WeakPolarHBondContact O-CA 3.48Å; W422-L433 HydrophobicContact CB-CB 4.42Å; W422-L433 PolarHBondContact N-O 3.11Å; W422-L433 PolarHBondContact O-N 3.25Å
423	L	87.1	Confident	75.2	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	133.3	164.9	-174.1	65.4	0	0	0	108.9	L200 I207 A208 L215 L409 A410 L430	L200-L423 HydrophobicContact CD2-CD2 4.12Å; I207-L423 HydrophobicContact CB-CD1 4.41Å; I207-L423 HydrophobicContact CB-CD2 4.16Å; I207-L423 HydrophobicContact CD1-CD2 4.43Å; I207-L423 HydrophobicContact CG2-CD1 3.65Å; I207-L423 HydrophobicContact CG2-CD2 3.9Å; I207-L423 HydrophobicContact CG2-CG 4.46Å; A208-L423 HydrophobicContact CB-CD1 4.49Å; L215-L423 HydrophobicContact CD2-CD1 4.17Å; L409-L423 WeakPolarHBondContact CA-O 3.48Å; L409-L423 HydrophobicContact CB-CG 4.43Å; L409-L423 WeakPolarHBondContact CB-O 3.45Å; L409-L423 HydrophobicContact CD1-CG 4.37Å; L409-L423 PolarHBondContact N-O 2.78Å; A410-L423 HydrophobicContact CB-CB 4.15Å; A410-L423 PolarHBondContact N-O 3.28Å; A410-L423 VanDerWaalsContact N-O 3.1Å; A410-L423 PolarHBondContact O-N 2.75Å; L423-L430 HydrophobicContact CD1-CD1 3.82Å; L423-L430 HydrophobicContact CD1-CG 4.11Å; L423-L430 HydrophobicContact CD2-CD1 4.4Å; L423-L430 HydrophobicContact CG-CD1 4.09Å
424	A	86.3	Confident	76.1	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	161.2	-179.5	0	0	0	0	0	112	L249 C407 L408 V431	L249-A424 HydrophobicContact CD1-CB 3.84Å; L249-A424 HydrophobicContact CD2-CB 4Å; C407-A424 WeakPolarHBondContact O-CA 3.42Å; L408-A424 HydrophobicContact CD1-CB 4.31Å; A424-V431 HydrophobicContact CB-CG2 4.11Å; A424-V431 PolarHBondContact N-O 2.78Å; A424-V431 PolarHBondContact O-N 3.13Å; A424-V431 VanDerWaalsContact O-O 3.08Å
425	K	85.8	Confident	77.1	Confident	5 Å²	5	25.4 Å²	25.4	2%	0.022	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	120.6	168.9	176.9	-178.8	173.6	-176.5	0	107.9	C164 I167 F169 E405 T406 C407 L409 Y429	C164-K425 WeakPolarHBondContact O-CE 3.04Å; C164-K425 PolarHBondContact O-NZ 3.48Å; I167-K425 PolarHBondContact O-NZ 3.08Å; F169-K425 HydrophobicContact CD2-CD 4.19Å; F169-K425 HydrophobicContact CE2-CD 4.1Å; E405-K425 IonicContact OE2-NZ 3.39Å; E405-K425 PolarHBondContact OE2-NZ 3.33Å; T406-K425 CarbonylContact C-O 3.38Å; T406-K425 VanDerWaalsContact CA-O 3.28Å; T406-K425 WeakPolarHBondContact CA-O 3.49Å; C407-K425 PolarHBondContact N-O 3.17Å; C407-K425 PolarHBondContact O-N 2.86Å; L409-K425 HydrophobicContact CD1-CB 4.02Å; L409-K425 HydrophobicContact CG-CB 4.36Å; K425-Y429 CarbonylContact C-O 3.56Å; K425-Y429 WeakPolarHBondContact CA-O 3.29Å
426	L	83.6	Confident	78.1	Confident	8 Å²	8	25 Å²	25	4%	0.042	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	112.8	179.9	178.3	59.2	0	0	0	109	L219 L249 A252 F253 L256 T406 G428 Y429 V431	L219-L426 HydrophobicContact CD1-CD2 4.02Å; L249-L426 HydrophobicContact CD1-CB 4.13Å; L249-L426 HydrophobicContact CD1-CD1 4.14Å; A252-L426 HydrophobicContact CB-CD1 4.42Å; A252-L426 HydrophobicContact CB-CD2 4.07Å; F253-L426 HydrophobicContact CB-CD1 3.77Å; F253-L426 HydrophobicContact CD2-CD1 4.24Å; F253-L426 HydrophobicContact CG-CD1 4.48Å; L256-L426 HydrophobicContact CD1-CD1 4.16Å; L256-L426 HydrophobicContact CD1-CD2 3.93Å; L256-L426 HydrophobicContact CD1-CG 3.85Å; T406-L426 HydrophobicContact CG2-CD1 3.88Å; L426-G428 VanDerWaalsContact C-N 3.26Å; L426-G428 PolarHBondContact O-N 3.45Å; L426-Y429 PolarHBondContact N-O 3.26Å; L426-Y429 WeakPolarHBondContact O-CB 3.19Å; L426-Y429 PolarHBondContact O-N 2.97Å; L426-V431 HydrophobicContact CB-CG1 4.42Å; L426-V431 HydrophobicContact CB-CG2 3.91Å
427	A	76.3	Confident	78.9	Confident	36 Å²	36	25.3 Å²	25.3	30%	0.298	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	44.7	-177.2	0	0	0	0	0	113.6	F253 L256 T406 Y429	F253-A427 HydrophobicContact CD2-CB 4.14Å; F253-A427 HydrophobicContact CE2-CB 4.01Å; L256-A427 HydrophobicContact CD1-CB 4.49Å; T406-A427 PolarHBondContact OG1-N 2.77Å; A427-Y429 VanDerWaalsContact C-N 3.32Å; A427-Y429 WeakPolarHBondContact O-CD2 3.44Å; A427-Y429 PolarHBondContact O-N 3.43Å
428	G	74.2	Confident	79	Confident	10 Å²	10	19.5 Å²	19.5	10%	0.103	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.8	-22.9	-175.5	0	0	0	0	0	115.8	C164 R165 E405 L426	C164-G428 CarbonylContact C-O 3.53Å; R165-G428 VanDerWaalsContact CA-O 3.31Å; R165-G428 WeakPolarHBondContact CA-O 3.46Å; R165-G428 PolarHBondContact N-O 2.8Å; E405-G428 PolarHBondContact O-N 3.33Å; L426-G428 VanDerWaalsContact C-N 3.26Å; L426-G428 PolarHBondContact O-N 3.45Å
429	Y	80.4	Confident	78.1	Confident	35 Å²	35	21.6 Å²	21.6	14%	0.137	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	137.5	-173.6	-67.1	-76.3	0	0	0	113.1	R165 S216 F304 K425 L426 A427	R165-Y429 PolarHBondContact NH1-OH 2.71Å; R165-Y429 PolarHBondContact NH2-OH 2.77Å; R165-Y429 VanDerWaalsContact NH2-OH 3.14Å; S216-Y429 WeakPolarHBondContact OG-CD1 3.43Å; F304-Y429 AromaticContact CE1-CD1 3.81Å; F304-Y429 HydrophobicContact CE1-CD1 3.81Å; F304-Y429 HydrophobicContact CE1-CE1 4.06Å; F304-Y429 HydrophobicContact CE1-CG 4.06Å; F304-Y429 AromaticContact CZ-CD1 3.54Å; F304-Y429 HydrophobicContact CZ-CD1 3.54Å; F304-Y429 AromaticContact CZ-CE1 3.71Å; F304-Y429 HydrophobicContact CZ-CE1 3.71Å; F304-Y429 HydrophobicContact CZ-CG 4.25Å; K425-Y429 CarbonylContact C-O 3.56Å; K425-Y429 WeakPolarHBondContact CA-O 3.29Å; L426-Y429 PolarHBondContact N-O 3.26Å; L426-Y429 WeakPolarHBondContact O-CB 3.19Å; L426-Y429 PolarHBondContact O-N 2.97Å; A427-Y429 VanDerWaalsContact C-N 3.32Å; A427-Y429 WeakPolarHBondContact O-CD2 3.44Å; A427-Y429 PolarHBondContact O-N 3.43Å
430	L	86.6	Confident	76.9	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	118.4	-179.8	-166.7	60	0	0	0	109.9	V160 C164 L200 I207 V214 L215 S216 L409 L423	V160-L430 HydrophobicContact CG2-CD2 4.35Å; C164-L430 HydrophobicContact CB-CB 4.44Å; L200-L430 HydrophobicContact CD2-CD1 4.13Å; L200-L430 HydrophobicContact CD2-CD2 4.27Å; I207-L430 HydrophobicContact CG2-CD2 3.65Å; I207-L430 HydrophobicContact CG2-CG 4.24Å; V214-L430 HydrophobicContact CG1-CD2 4.24Å; L215-L430 HydrophobicContact CD2-CG 4.37Å; S216-L430 WeakPolarHBondContact CB-O 3.44Å; S216-L430 PolarHBondContact N-O 2.89Å; S216-L430 PolarHBondContact OG-O 3.15Å; L409-L430 HydrophobicContact CD1-CD1 3.61Å; L423-L430 HydrophobicContact CD1-CD1 3.82Å; L423-L430 HydrophobicContact CD1-CG 4.11Å; L423-L430 HydrophobicContact CD2-CD1 4.4Å; L423-L430 HydrophobicContact CG-CD1 4.09Å
431	V	86	Confident	75.1	Confident	5 Å²	5	27 Å²	27	3%	0.03	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	147.3	-175.2	-61.9	0	0	0	0	111.1	A217 L219 A424 L426	A217-V431 HydrophobicContact CB-CG1 4.15Å; A217-V431 WeakPolarHBondContact O-CA 3.45Å; A217-V431 WeakPolarHBondContact O-CB 3.34Å; L219-V431 HydrophobicContact CD1-CG2 4.4Å; A424-V431 HydrophobicContact CB-CG2 4.11Å; A424-V431 PolarHBondContact N-O 2.78Å; A424-V431 PolarHBondContact O-N 3.13Å; A424-V431 VanDerWaalsContact O-O 3.08Å; L426-V431 HydrophobicContact CB-CG1 4.42Å; L426-V431 HydrophobicContact CB-CG2 3.91Å
432	S	87.4	Confident	72.9	Confident	6 Å²	6	34.5 Å²	34.5	4%	0.042	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	142.4	163.8	58.7	0	0	0	0	109.8	A208 A217 R218 L219 W422	A208-S432 WeakPolarHBondContact O-CB 3.33Å; A208-S432 PolarHBondContact O-OG 2.74Å; A217-S432 PolarHBondContact O-N 3.45Å; A217-S432 VanDerWaalsContact O-N 3.14Å; R218-S432 CarbonylContact C-O 3.5Å; R218-S432 WeakPolarHBondContact CA-O 3.19Å; R218-S432 WeakPolarHBondContact CG-OG 3.33Å; L219-S432 PolarHBondContact N-O 2.93Å; W422-S432 CarbonylContact O-C 3.24Å; W422-S432 WeakPolarHBondContact O-CA 3.48Å
433	L	85.4	Confident	70.3	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	103.9	-174.3	173.5	57.8	0	0	0	109	L219 V221 A245 V248 I421 W422 I435	L219-L433 HydrophobicContact CB-CD1 3.82Å; L219-L433 HydrophobicContact CD1-CD1 4.4Å; V221-L433 HydrophobicContact CG2-CD1 3.71Å; A245-L433 HydrophobicContact CB-CD2 4.32Å; V248-L433 HydrophobicContact CG1-CD1 3.77Å; V248-L433 HydrophobicContact CG1-CD2 4.3Å; I421-L433 CarbonylContact C-O 3.55Å; I421-L433 WeakPolarHBondContact CA-O 3.26Å; W422-L433 HydrophobicContact CB-CB 4.42Å; W422-L433 PolarHBondContact N-O 3.11Å; W422-L433 PolarHBondContact O-N 3.25Å; L433-I435 HydrophobicContact CD1-CD1 4.33Å; L433-I435 HydrophobicContact CD1-CG1 3.91Å; L433-I435 HydrophobicContact CD2-CD1 3.99Å; L433-I435 HydrophobicContact CD2-CG1 4.43Å; L433-I435 HydrophobicContact CG-CD1 3.89Å; L433-I435 HydrophobicContact CG-CG1 3.8Å
434	S	83.7	Confident	67.9	Low	26 Å²	26	43.9 Å²	43.9	18%	0.182	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	122.8	176.8	-178	0	0	0	0	109.5	L219 V221 T419 S420	L219-S434 PolarHBondContact O-N 3.33Å; V221-S434 PolarHBondContact N-O 3.15Å; T419-S434 WeakPolarHBondContact CG2-OG 3.49Å; S420-S434 CarbonylContact O-C 3.57Å; S420-S434 WeakPolarHBondContact O-CA 3.25Å
435	I	82.4	Confident	65.5	Low	3 Å²	3	50.9 Å²	50.9	2%	0.015	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	105.7	-170.6	-49.7	175.5	0	0	0	109	V221 L223 A245 T419 S420 L433	V221-I435 CarbonylContact O-C 3.5Å; V221-I435 WeakPolarHBondContact O-CA 3.39Å; L223-I435 HydrophobicContact CD1-CG2 3.45Å; L223-I435 VanDerWaalsContact CD1-CG2 3.45Å; L223-I435 HydrophobicContact CG-CG2 3.7Å; A245-I435 VanDerWaalsContact CA-CD1 3.44Å; A245-I435 HydrophobicContact CB-CD1 3.67Å; T419-I435 CarbonylContact C-O 3.58Å; T419-I435 VanDerWaalsContact CA-O 3.26Å; T419-I435 WeakPolarHBondContact CA-O 3.45Å; S420-I435 PolarHBondContact N-O 2.68Å; S420-I435 PolarHBondContact O-N 2.94Å; L433-I435 HydrophobicContact CD1-CD1 4.33Å; L433-I435 HydrophobicContact CD1-CG1 3.91Å; L433-I435 HydrophobicContact CD2-CD1 3.99Å; L433-I435 HydrophobicContact CD2-CG1 4.43Å; L433-I435 HydrophobicContact CG-CD1 3.89Å; L433-I435 HydrophobicContact CG-CG1 3.8Å
436	K	77.2	Confident	63.1	Low	19 Å²	19	58.7 Å²	58.7	8%	0.083	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	120.3	175.4	-179.2	-176.8	176.7	-174.8	0	110.1	V221 L223 S418 Y438 E518	V221-K436 PolarHBondContact O-N 2.71Å; L223-K436 PolarHBondContact N-O 3.28Å; S418-K436 WeakPolarHBondContact O-CA 3.41Å; K436-Y438 HydrophobicContact CD-CE2 3.82Å; K436-Y438 HydrophobicContact CG-CE2 4.29Å; K436-Y438 PolarHBondContact NZ-OH 3.5Å; K436-E518 IonicContact NZ-OE1 2.68Å; K436-E518 PolarHBondContact NZ-OE1 3.33Å
437	R	72.1	Confident	61	Low	43 Å²	43	63.3 Å²	63.3	16%	0.162	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	135	165.6	-53.4	-177.6	-171.6	154.1	16.1	110.3	F227 E238 N241 S418	F227-R437 HydrophobicContact CE1-CG 4.27Å; F227-R437 HydrophobicContact CE2-CB 4.37Å; F227-R437 HydrophobicContact CZ-CB 4.07Å; F227-R437 HydrophobicContact CZ-CG 4.02Å; E238-R437 IonicContact OE1-CZ 3.79Å; E238-R437 IonicContact OE1-NH1 3.68Å; E238-R437 PolarHBondContact OE1-NH1 3.04Å; N241-R437 PolarHBondContact OD1-NH2 3.31Å; S418-R437 WeakPolarHBondContact CB-O 3.4Å; S418-R437 PolarHBondContact O-N 3.15Å; S418-R437 PolarHBondContact OG-O 2.97Å
438	Y	59.6	Low	59.2	Low	64 Å²	64	66.9 Å²	66.9	25%	0.251	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-98.6	127.6	161.5	-76.1	-91.6	0	0	0	109.7	N222 L223 F227 K436 E518	N222-Y438 HydrophobicContact CB-CD2 4.32Å; N222-Y438 HydrophobicContact CB-CE2 3.88Å; L223-Y438 PolarHBondContact O-N 3.19Å; F227-Y438 WeakPolarHBondContact CE2-O 3.4Å; K436-Y438 HydrophobicContact CD-CE2 3.82Å; K436-Y438 HydrophobicContact CG-CE2 4.29Å; K436-Y438 PolarHBondContact NZ-OH 3.5Å; Y438-E518 WeakPolarHBondContact CE1-OE2 3.44Å
439	P	46.5	Very low	57.7	Low	96 Å²	96	71.6 Å²	71.6	62%	0.623	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-68.2	147.2	164.2	31	-33.4	0	0	0	109.7	T441	P439-T441 PolarHBondContact O-N 2.95Å
440	P	38.7	Very low	56	Low	43 Å²	43	76.3 Å²	76.3	28%	0.279	39%	0.386	S	S	.	.			trans	-66.7	115.4	-177.7	26.4	-34.1	0	0	0	111.5	N226 D228 H442	N226-P440 WeakPolarHBondContact OD1-CB 3.49Å; D228-P440 VanDerWaalsContact OD2-CG 3.32Å; D228-P440 WeakPolarHBondContact OD2-CG 3.18Å; P440-H442 PolarHBondContact O-N 3.2Å
441	T	35.3	Very low	54.3	Low	125 Å²	125	80.7 Å²	80.7	77%	0.767	41%	0.407	S	S	*	.			trans	-75	109	175.1	41.7	0	0	0	0	110.2	P439 R443	P439-T441 PolarHBondContact O-N 2.95Å; T441-R443 PolarHBondContact O-N 3.39Å
442	H	31.3	Very low	52.5	Low	184 Å²	184	85.2 Å²	85.2	85%	0.852	43%	0.431	S	S	*	.	S	Bend	trans	-77.6	74.7	-162.5	-169.1	-66.3	0	0	0	114.8	P440	P440-H442 PolarHBondContact O-N 3.2Å
443	R	31.1	Very low	50.7	Low	151 Å²	151	90 Å²	90	57%	0.57	45%	0.453	S	S	*	.	S	Bend	trans	-165.9	138.8	145.3	-106.8	179.5	-164.3	-145.3	1.3	109.5	T441 E451	T441-R443 PolarHBondContact O-N 3.39Å; R443-E451 VanDerWaalsContact NH1-CD 3.26Å; R443-E451 IonicContact NH1-OE1 2.66Å; R443-E451 PolarHBondContact NH1-OE1 2.89Å; R443-E451 IonicContact NH1-OE2 2.71Å; R443-E451 PolarHBondContact NH1-OE2 3.15Å
444	S	36.9	Very low	49.1	Very low	62 Å²	62	94.1 Å²	94.1	43%	0.434	48%	0.475	S	S	.	.			trans	-68.7	137.9	-176.8	55.3	0	0	0	0	111.8	Q446 Q447 L448	S444-Q446 PolarHBondContact O-N 2.94Å; S444-Q446 VanDerWaalsContact O-N 3.1Å; S444-Q447 PolarHBondContact O-N 2.94Å; S444-Q447 WeakPolarHBondContact OG-CG 3.3Å; S444-L448 PolarHBondContact O-N 2.89Å
445	I	35.3	Very low	47.6	Very low	148 Å²	148	99.5 Å²	99.5	76%	0.759	50%	0.498	S	S	*	.	H	α-helix	trans	-56.3	-31.1	-179.6	-67.5	173.1	0	0	0	111.6	Q447 L448 D449	I445-Q447 PolarHBondContact O-N 3.25Å; I445-L448 PolarHBondContact O-N 3.05Å; I445-D449 PolarHBondContact O-N 3.2Å
446	Q	35.3	Very low	46.2	Very low	168 Å²	168	101.9 Å²	101.9	79%	0.785	51%	0.512	S	S	*	.	H	α-helix	trans	-66.3	-31.4	174.8	-68.1	179.6	-12.9	0	0	114	S444 Q450	S444-Q446 PolarHBondContact O-N 2.94Å; S444-Q446 VanDerWaalsContact O-N 3.1Å; Q446-Q450 PolarHBondContact O-N 3.5Å
447	Q	39.1	Very low	44.9	Very low	106 Å²	106	105.2 Å²	105.2	50%	0.495	53%	0.531	S	S	.	.	H	α-helix	trans	-75.2	-37.4	173.8	-78.5	-177.1	-19	0	0	111.8	S444 I445 D449 Q450 E451	S444-Q447 PolarHBondContact O-N 2.94Å; S444-Q447 WeakPolarHBondContact OG-CG 3.3Å; I445-Q447 PolarHBondContact O-N 3.25Å; Q447-D449 VanDerWaalsContact C-N 3.34Å; Q447-D449 PolarHBondContact O-N 2.85Å; Q447-Q450 WeakPolarHBondContact O-CB 3.45Å; Q447-Q450 PolarHBondContact O-N 2.7Å; Q447-E451 PolarHBondContact O-N 2.74Å
448	L	38.3	Very low	43.7	Very low	110 Å²	110	109 Å²	109	58%	0.576	55%	0.55	S	S	*	*	H	α-helix	trans	-64.4	-39.7	-179.9	-157.3	75.7	0	0	0	111.7	S444 I445 Q450 E451 L452	S444-L448 PolarHBondContact O-N 2.89Å; I445-L448 PolarHBondContact O-N 3.05Å; L448-Q450 VanDerWaalsContact C-N 3.32Å; L448-Q450 PolarHBondContact O-N 2.85Å; L448-E451 PolarHBondContact O-N 2.97Å; L448-L452 VanDerWaalsContact O-CB 3.23Å; L448-L452 WeakPolarHBondContact O-CB 3.4Å; L448-L452 PolarHBondContact O-N 3.43Å
449	D	43.5	Very low	43.2	Very low	110 Å²	110	109.3 Å²	109.3	59%	0.588	56%	0.562	S	S	*	*	H	α-helix	trans	-65.8	-35	175.8	-156.7	33.6	0	0	0	111.7	I445 Q447 M453	I445-D449 PolarHBondContact O-N 3.2Å; Q447-D449 VanDerWaalsContact C-N 3.34Å; Q447-D449 PolarHBondContact O-N 2.85Å; D449-M453 VanDerWaalsContact O-CB 3.27Å; D449-M453 WeakPolarHBondContact O-CB 3.43Å; D449-M453 VanDerWaalsContact O-CG 3.26Å; D449-M453 WeakPolarHBondContact O-CG 3.42Å; D449-M453 PolarHBondContact O-N 3.46Å
450	Q	45.1	Very low	43.2	Very low	133 Å²	133	113.9 Å²	113.9	62%	0.621	57%	0.567	S	S	*	*	H	α-helix	trans	-69.8	-42	175.1	-157.9	86	64.1	0	0	112.5	Q446 Q447 L448 N454	Q446-Q450 PolarHBondContact O-N 3.5Å; Q447-Q450 WeakPolarHBondContact O-CB 3.45Å; Q447-Q450 PolarHBondContact O-N 2.7Å; L448-Q450 VanDerWaalsContact C-N 3.32Å; L448-Q450 PolarHBondContact O-N 2.85Å; Q450-N454 PolarHBondContact O-N 3.04Å; Q450-N454 PolarHBondContact O-ND2 3.37Å; Q450-N454 VanDerWaalsContact O-ND2 3.16Å
451	E	50	Low	43.7	Very low	93 Å²	93	115.9 Å²	115.9	44%	0.435	58%	0.582	S	S	.	*	H	α-helix	trans	-68.3	-42.7	175	-73.3	-178.4	142.3	0	0	110.9	R443 Q447 L448 N454 E455	R443-E451 VanDerWaalsContact NH1-CD 3.26Å; R443-E451 IonicContact NH1-OE1 2.66Å; R443-E451 PolarHBondContact NH1-OE1 2.89Å; R443-E451 IonicContact NH1-OE2 2.71Å; R443-E451 PolarHBondContact NH1-OE2 3.15Å; Q447-E451 PolarHBondContact O-N 2.74Å; L448-E451 PolarHBondContact O-N 2.97Å; E451-N454 WeakPolarHBondContact O-CB 3.26Å; E451-N454 PolarHBondContact O-N 2.89Å; E451-N454 VanDerWaalsContact O-N 3.15Å; E451-E455 PolarHBondContact O-N 3.44Å
452	L	48.9	Very low	43.9	Very low	100 Å²	100	119.1 Å²	119.1	52%	0.524	58%	0.58	S	S	.	*	H	α-helix	trans	-66.5	-40.8	178.4	-160.2	78	0	0	0	112.3	L448 N454 E455 V456	L448-L452 VanDerWaalsContact O-CB 3.23Å; L448-L452 WeakPolarHBondContact O-CB 3.4Å; L448-L452 PolarHBondContact O-N 3.43Å; L452-N454 VanDerWaalsContact C-N 3.26Å; L452-N454 PolarHBondContact O-N 2.63Å; L452-E455 PolarHBondContact O-N 2.84Å; L452-V456 WeakPolarHBondContact O-CB 3.29Å; L452-V456 WeakPolarHBondContact O-CG2 3.38Å; L452-V456 PolarHBondContact O-N 2.81Å
453	M	48.8	Very low	44.5	Very low	105 Å²	105	118.6 Å²	118.6	52%	0.517	58%	0.578	S	S	.	*	H	α-helix	trans	-63	-32.7	172.5	-79.2	-75.6	-90.8	0	0	112.2	D449 N457	D449-M453 VanDerWaalsContact O-CB 3.27Å; D449-M453 WeakPolarHBondContact O-CB 3.43Å; D449-M453 VanDerWaalsContact O-CG 3.26Å; D449-M453 WeakPolarHBondContact O-CG 3.42Å; D449-M453 PolarHBondContact O-N 3.46Å; M453-N457 WeakPolarHBondContact O-CB 3.27Å; M453-N457 VanDerWaalsContact O-CG 3.29Å; M453-N457 PolarHBondContact O-N 2.8Å; M453-N457 PolarHBondContact O-ND2 2.82Å
454	N	51.9	Low	44.8	Very low	87 Å²	87	120.3 Å²	120.3	47%	0.465	59%	0.592	S	S	.	*	H	α-helix	trans	-70.6	-41.9	172.7	-79	-35.3	0	0	0	112.3	Q450 E451 L452 N457 Q458	Q450-N454 PolarHBondContact O-N 3.04Å; Q450-N454 PolarHBondContact O-ND2 3.37Å; Q450-N454 VanDerWaalsContact O-ND2 3.16Å; E451-N454 WeakPolarHBondContact O-CB 3.26Å; E451-N454 PolarHBondContact O-N 2.89Å; E451-N454 VanDerWaalsContact O-N 3.15Å; L452-N454 VanDerWaalsContact C-N 3.26Å; L452-N454 PolarHBondContact O-N 2.63Å; N454-N457 PolarHBondContact O-N 2.88Å; N454-Q458 WeakPolarHBondContact O-CB 3.4Å; N454-Q458 WeakPolarHBondContact O-CG 3.19Å; N454-Q458 PolarHBondContact O-N 3.26Å
455	E	51.9	Low	44.6	Very low	139 Å²	139	122.4 Å²	122.4	65%	0.65	61%	0.607	S	S	*	*	H	α-helix	trans	-65.1	-38.6	173.1	-73.7	-150.4	129.8	0	0	112.8	E451 L452 N457 Q458 S459	E451-E455 PolarHBondContact O-N 3.44Å; L452-E455 PolarHBondContact O-N 2.84Å; E455-N457 VanDerWaalsContact C-N 3.31Å; E455-N457 PolarHBondContact O-N 2.77Å; E455-Q458 PolarHBondContact O-N 3.37Å; E455-S459 WeakPolarHBondContact O-CB 3.21Å; E455-S459 PolarHBondContact O-N 2.84Å; E455-S459 PolarHBondContact O-OG 3.16Å
456	V	53	Low	44.4	Very low	53 Å²	53	127.5 Å²	127.5	32%	0.321	62%	0.617	S	S	.	*	H	α-helix	trans	-63.6	-37.6	174.5	169.4	0	0	0	0	111.2	L452 S459 R460	L452-V456 WeakPolarHBondContact O-CB 3.29Å; L452-V456 WeakPolarHBondContact O-CG2 3.38Å; L452-V456 PolarHBondContact O-N 2.81Å; V456-S459 WeakPolarHBondContact CA-OG 3.4Å; V456-S459 PolarHBondContact O-OG 3.26Å; V456-S459 VanDerWaalsContact O-OG 3.12Å; V456-R460 VanDerWaalsContact O-CB 3.27Å; V456-R460 WeakPolarHBondContact O-CB 3.45Å; V456-R460 VanDerWaalsContact O-CG 3.26Å; V456-R460 WeakPolarHBondContact O-CG 3.4Å; V456-R460 PolarHBondContact O-N 2.97Å
457	N	50.1	Low	44.2	Very low	90 Å²	90	123.1 Å²	123.1	48%	0.481	62%	0.617	S	S	.	*	H	α-helix	trans	-74.5	-36	175.3	-73.8	-39.8	0	0	0	113.1	M453 N454 E455 S461	M453-N457 WeakPolarHBondContact O-CB 3.27Å; M453-N457 VanDerWaalsContact O-CG 3.29Å; M453-N457 PolarHBondContact O-N 2.8Å; M453-N457 PolarHBondContact O-ND2 2.82Å; N454-N457 PolarHBondContact O-N 2.88Å; E455-N457 VanDerWaalsContact C-N 3.31Å; E455-N457 PolarHBondContact O-N 2.77Å; N457-S461 WeakPolarHBondContact O-CB 3.26Å; N457-S461 PolarHBondContact O-N 3.21Å; N457-S461 VanDerWaalsContact O-N 3.12Å; N457-S461 PolarHBondContact O-OG 2.53Å
458	Q	47.8	Very low	44	Very low	121 Å²	121	123.7 Å²	123.7	57%	0.565	63%	0.632	S	S	*	*	H	α-helix	trans	-73.1	-29.6	175.1	-71.7	-168.6	33.6	0	0	113.5	N454 E455 S461 R462	N454-Q458 WeakPolarHBondContact O-CB 3.4Å; N454-Q458 WeakPolarHBondContact O-CG 3.19Å; N454-Q458 PolarHBondContact O-N 3.26Å; E455-Q458 PolarHBondContact O-N 3.37Å; Q458-S461 WeakPolarHBondContact CA-OG 3.43Å; Q458-S461 PolarHBondContact O-OG 2.77Å; Q458-R462 WeakPolarHBondContact O-CG 3.41Å
459	S	48.6	Very low	43.8	Very low	71 Å²	71	123.1 Å²	123.1	50%	0.497	64%	0.637	S	S	.	*	H	α-helix	trans	-77.5	-41.3	173.1	54.3	0	0	0	0	112.2	E455 V456 S461 R462	E455-S459 WeakPolarHBondContact O-CB 3.21Å; E455-S459 PolarHBondContact O-N 2.84Å; E455-S459 PolarHBondContact O-OG 3.16Å; V456-S459 WeakPolarHBondContact CA-OG 3.4Å; V456-S459 PolarHBondContact O-OG 3.26Å; V456-S459 VanDerWaalsContact O-OG 3.12Å; S459-S461 VanDerWaalsContact C-N 3.34Å; S459-S461 PolarHBondContact O-N 3.25Å; S459-R462 PolarHBondContact O-N 3.47Å
460	R	47.2	Very low	43.4	Very low	193 Å²	193	124.9 Å²	124.9	73%	0.728	65%	0.645	S	S	*	*	H	α-helix	trans	-65.2	-32.2	175.5	-77.6	179.2	169.1	-174.1	-2.5	113.8	V456 R462	V456-R460 VanDerWaalsContact O-CB 3.27Å; V456-R460 WeakPolarHBondContact O-CB 3.45Å; V456-R460 VanDerWaalsContact O-CG 3.26Å; V456-R460 WeakPolarHBondContact O-CG 3.4Å; V456-R460 PolarHBondContact O-N 2.97Å; R460-R462 PolarHBondContact O-N 2.81Å
461	S	47.4	Very low	43	Very low	84 Å²	84	123.1 Å²	123.1	59%	0.587	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-75.3	-17.2	179.2	48.4	0	0	0	0	114.6	N457 Q458 S459 H463	N457-S461 WeakPolarHBondContact O-CB 3.26Å; N457-S461 PolarHBondContact O-N 3.21Å; N457-S461 VanDerWaalsContact O-N 3.12Å; N457-S461 PolarHBondContact O-OG 2.53Å; Q458-S461 WeakPolarHBondContact CA-OG 3.43Å; Q458-S461 PolarHBondContact O-OG 2.77Å; S459-S461 VanDerWaalsContact C-N 3.34Å; S459-S461 PolarHBondContact O-N 3.25Å; S461-H463 PolarHBondContact O-N 3.1Å
462	R	41.5	Very low	42.3	Very low	194 Å²	194	125.6 Å²	125.6	73%	0.732	66%	0.664	S	S	*	*	G	3₁₀ helix	trans	-85.1	-0.4	-177	-76.2	-179.2	177.2	176.1	3.3	115.8	Q458 S459 R460	Q458-R462 WeakPolarHBondContact O-CG 3.41Å; S459-R462 PolarHBondContact O-N 3.47Å; R460-R462 PolarHBondContact O-N 2.81Å
463	H	43.1	Very low	41.7	Very low	173 Å²	173	126.9 Å²	126.9	80%	0.801	68%	0.676	S	S	*	*	G	3₁₀ helix	trans	-115.5	13.1	-178.2	-89.3	-62	0	0	0	116.4	S461	S461-H463 PolarHBondContact O-N 3.1Å
464	Q	36.6	Very low	41.3	Very low	186 Å²	186	127 Å²	127	87%	0.869	69%	0.687	S	S	*	*			trans	-119.3	76.1	171.4	-68.6	-166.9	-1.1	0	0	112.5
465	S	33	Very low	40.6	Very low	107 Å²	107	127.3 Å²	127.3	75%	0.748	70%	0.696	S	S	*	*			trans	-119.7	68.3	177.5	50.5	0	0	0	0	112.6
466	R	31.9	Very low	40.1	Very low	255 Å²	255	127.3 Å²	127.3	96%	0.962	71%	0.705	S	S	*	*			trans	-162.7	95.2	164.6	-109.3	166.6	-171.7	-170.8	1.8	110.6
467	G	31.5	Very low	39.7	Very low	76 Å²	76	130 Å²	130	78%	0.784	72%	0.724	S	S	*	*			trans	170.2	99.2	179.7	0	0	0	0	0	112.5
468	S	33.3	Very low	39	Very low	118 Å²	118	132 Å²	132	83%	0.825	74%	0.735	S	S	*	*			trans	-47.2	148.5	169.8	54.3	0	0	0	0	112.9
469	S	34.7	Very low	38.5	Very low	97 Å²	97	132.1 Å²	132.1	68%	0.678	74%	0.739	S	S	*	*				-178.5	157.4	50.1	58.5	0	0	0	0	114.7
470	I	35	Very low	37.8	Very low	148 Å²	148	135.6 Å²	135.6	76%	0.759	75%	0.751	S	S	*	*			trans	72.6	108.9	144.3	-67.8	158.6	0	0	0	121.3
471	S	36.5	Very low	37.2	Very low	96 Å²	96	132.7 Å²	132.7	67%	0.671	75%	0.75	S	S	*	*			trans	64.8	151.2	144.9	73.9	0	0	0	0	121.2
472	N	34.9	Very low	36.6	Very low	144 Å²	144	133.1 Å²	133.1	77%	0.77	75%	0.753	S	S	*	*			cis	-163.1	156.1	-15.1	-106	-2.4	0	0	0	109.9
473	T	37.2	Very low	36.3	Very low	127 Å²	127	131 Å²	131	78%	0.779	76%	0.755	S	S	*	*			trans	29.2	138.6	150.6	59.3	0	0	0	0	121.2
474	S	39.6	Very low	35.8	Very low	108 Å²	108	129.1 Å²	129.1	76%	0.755	75%	0.748	S	S	*	*			cis	-166	-161.4	-7.1	53.6	0	0	0	0	106.1
475	S	37.5	Very low	35.7	Very low	94 Å²	94	127 Å²	127	66%	0.657	74%	0.738	S	S	*	*			cis	-161.9	148.9	2.6	4.3	0	0	0	0	106
476	V	41.8	Very low	35.8	Very low	139 Å²	139	127.9 Å²	127.9	84%	0.842	74%	0.735	S	S	*	*			cis	95	130.1	43.8	171.3	0	0	0	0	112.1
477	P	44.1	Very low	35.9	Very low	110 Å²	110	122.4 Å²	122.4	71%	0.714	72%	0.72	S	S	*	*				-134	-98.6	-123	39.5	-19.2	0	0	0	117.3
478	N	36.5	Very low	36.1	Very low	131 Å²	131	125.4 Å²	125.4	70%	0.701	72%	0.716	S	S	*	*			trans	80.1	143.6	-177	-68.8	46.4	0	0	0	116.7
479	D	36.6	Very low	36.1	Very low	123 Å²	123	125.5 Å²	125.5	66%	0.658	71%	0.708	S	S	*	*			cis	-144.7	-160.8	3	-123.5	-56.4	0	0	0	108.6
480	L	34.7	Very low	36	Very low	144 Å²	144	126.3 Å²	126.3	75%	0.754	71%	0.709	S	S	*	*			cis	-147.7	-128.8	11.7	-149.2	131.4	0	0	0	111.8
481	N	34.2	Very low	35.9	Very low	133 Å²	133	125.1 Å²	125.1	71%	0.711	71%	0.709	S	S	*	*			trans	-138.3	-179	-167.9	-56.1	-82.7	0	0	0	111.2
482	S	34.4	Very low	35.5	Very low	92 Å²	92	129.5 Å²	129.5	64%	0.643	72%	0.715	S	S	*	*			cis	-173.2	158.4	24.4	59.8	0	0	0	0	115.3
483	I	34.6	Very low	35.1	Very low	149 Å²	149	128.2 Å²	128.2	76%	0.764	72%	0.717	S	S	*	*			trans	69.5	142.5	136.4	-76.9	167.9	0	0	0	118.8
484	M	34	Very low	34.6	Very low	134 Å²	134	127.5 Å²	127.5	66%	0.66	72%	0.716	S	S	*	*			cis	-161.9	155.7	-5.4	-118.2	164.2	113.1	0	0	111.1
485	E	34.1	Very low	34.1	Very low	141 Å²	141	126.2 Å²	126.2	66%	0.659	71%	0.711	S	S	*	*			trans	42.4	154.7	137.9	-73.5	177.5	-146.1	0	0	123.9
486	N	34.7	Very low	33.6	Very low	127 Å²	127	130.2 Å²	130.2	68%	0.679	72%	0.72	S	S	*	*			cis	-149.8	145.8	4.5	-100.8	-36.5	0	0	0	110.9
487	E	34.6	Very low	33	Very low	139 Å²	139	128.9 Å²	128.9	65%	0.65	72%	0.717	S	S	*	*				47.8	150.4	116.8	-111.6	-132.1	115.2	0	0	119	N489	E487-N489 PolarHBondContact OE1-ND2 3.33Å
488	I	35.4	Very low	32.2	Very low	139 Å²	139	131 Å²	131	71%	0.713	72%	0.72	S	S	*	*			cis	-147.9	153.5	41.4	-68.1	-178.2	0	0	0	113.5
489	N	33.4	Very low	31.6	Very low	120 Å²	120	130.2 Å²	130.2	64%	0.642	72%	0.723	S	S	*	*			trans	-12	171.7	156.2	-54.4	-54.2	0	0	0	122.9	E487	E487-N489 PolarHBondContact OE1-ND2 3.33Å
490	T	33.1	Very low	31.2	Very low	115 Å²	115	128.7 Å²	128.7	71%	0.706	72%	0.723	S	S	*	*			cis	-164.5	148.5	20.9	-17	0	0	0	0	115.3
491	T	31.8	Very low	31	Very low	123 Å²	123	128.5 Å²	128.5	76%	0.755	72%	0.718	S	S	*	*			trans	41.4	140.8	149.5	50.6	0	0	0	0	124.3
492	K	27.8	Very low	30.8	Very low	187 Å²	187	130.8 Å²	130.8	81%	0.813	72%	0.722	S	S	*	*			cis	103.3	111.3	8.9	-169.8	-172.1	-178.8	-177.2	0	118.2
493	C	27.6	Very low	30.6	Very low	118 Å²	118	130.9 Å²	130.9	80%	0.797	72%	0.72	S	S	*	*			trans	-173.9	140.6	145.5	-91	0	0	0	0	108.3
494	C	25.9	Very low	30.2	Very low	112 Å²	112	132.1 Å²	132.1	76%	0.757	72%	0.72	S	S	*	*			cis	79	131.5	46	-61.1	0	0	0	0	112.8
495	A	29.3	Very low	29.7	Very low	80 Å²	80	132.3 Å²	132.3	66%	0.661	73%	0.733	S	S	*	*			cis	-159.3	156.7	5.2	0	0	0	0	0	115.1
496	E	26.2	Very low	29.3	Very low	179 Å²	179	131.5 Å²	131.5	84%	0.836	74%	0.738	S	S	*	*				54.7	116.9	129.2	-65.7	165.9	-169.8	0	0	125.9
497	S	29.5	Very low	29	Very low	111 Å²	111	128.8 Å²	128.8	78%	0.776	74%	0.74	S	S	*	*				179.3	130.5	126.5	35.9	0	0	0	0	108.8
498	I	27.2	Very low	28.7	Very low	155 Å²	155	128.6 Å²	128.6	80%	0.795	75%	0.749	S	S	*	*				72.3	117.4	55.1	-59.9	166.9	0	0	0	111.2
499	C	24.9	Very low	28.5	Very low	113 Å²	113	126.6 Å²	126.6	76%	0.764	75%	0.753	S	S	*	*			cis	-153.2	-171.5	-3.2	-130.6	0	0	0	0	108.7
500	S	28.3	Very low	28.2	Very low	92 Å²	92	127.1 Å²	127.1	64%	0.643	76%	0.76	S	S	*	*			cis	-143	167.1	8.1	69.5	0	0	0	0	110.3
501	E	29.3	Very low	27.9	Very low	139 Å²	139	127.1 Å²	127.1	65%	0.65	76%	0.762	S	S	*	*				51.2	133.6	76.3	-34.9	-172.6	122.4	0	0	115.8
502	F	29.7	Very low	27.8	Very low	182 Å²	182	130.3 Å²	130.3	80%	0.798	77%	0.765	S	S	*	*			cis	-131.2	167.5	26.5	-95.3	-98.1	0	0	0	116.3
503	P	30.7	Very low	27.9	Very low	94 Å²	94	125.1 Å²	125.1	61%	0.61	75%	0.752	S	S	*	*			trans	-141	-173.5	-155.9	47.5	-30.6	0	0	0	118
504	K	26	Very low	28.2	Very low	174 Å²	174	126.1 Å²	126.1	76%	0.757	75%	0.75	S	S	*	*			trans	66.4	121.1	151.6	-72.5	166.6	-173.5	171	0	120.7	T506	K504-T506 HydrophobicContact CB-CG2 4.24Å; K504-T506 HydrophobicContact CD-CG2 4.36Å; K504-T506 HydrophobicContact CG-CG2 3.99Å
505	C	23.9	Very low	28.5	Very low	139 Å²	139	127.2 Å²	127.2	94%	0.939	75%	0.748	S	S	*	*				-117.5	152.9	124.5	-90.2	0	0	0	0	108.8
506	T	26.4	Very low	28.7	Very low	123 Å²	123	128 Å²	128	76%	0.755	74%	0.744	S	S	*	*			trans	-144	139.5	-166.5	51.2	0	0	0	0	113.9	K504	K504-T506 HydrophobicContact CB-CG2 4.24Å; K504-T506 HydrophobicContact CD-CG2 4.36Å; K504-T506 HydrophobicContact CG-CG2 3.99Å
507	G	27.4	Very low	29	Very low	70 Å²	70	128.3 Å²	128.3	72%	0.722	74%	0.739	S	S	*	*			trans	114.3	146.5	174	0	0	0	0	0	112.4
508	T	29.4	Very low	29.1	Very low	136 Å²	136	127.7 Å²	127.7	83%	0.834	72%	0.724	S	S	*	*			cis	-150.3	147.6	6.7	48.4	0	0	0	0	113
509	A	30.4	Very low	29.3	Very low	97 Å²	97	123.8 Å²	123.8	80%	0.802	71%	0.708	S	S	*	*			trans	57.1	108.1	156.4	0	0	0	0	0	119.2
510	V	27.2	Very low	29.6	Very low	131 Å²	131	123.3 Å²	123.3	79%	0.794	70%	0.701	S	S	*	*			trans	-105.8	122.3	167.4	172.4	0	0	0	0	110.1
511	P	27.8	Very low	30	Very low	114 Å²	114	126.5 Å²	126.5	74%	0.74	71%	0.706	S	S	*	*			trans	-82.3	131.3	151.7	32.6	-27.4	0	0	0	109.1
512	K	28.8	Very low	30.3	Very low	190 Å²	190	123 Å²	123	83%	0.826	69%	0.694	S	S	*	*			trans	-77.3	133.2	176.5	-63.7	179.9	-179.3	178.4	0	110.6
513	S	30.7	Very low	30.8	Very low	78 Å²	78	117.6 Å²	117.6	55%	0.545	67%	0.672	S	S	.	*			trans	-152.7	106.2	160.3	53.2	0	0	0	0	109.9	N515	S513-N515 PolarHBondContact O-N 3.15Å; S513-N515 VanDerWaalsContact O-N 3.09Å
514	D	32.3	Very low	31.3	Very low	140 Å²	140	116.8 Å²	116.8	75%	0.749	67%	0.665	S	S	*	*	G	3₁₀ helix	trans	-71.6	-8.9	-168.1	-56.5	-63.5	0	0	0	114	V516	D514-V516 VanDerWaalsContact C-N 3.32Å; D514-V516 PolarHBondContact O-N 2.92Å
515	N	33.7	Very low	31.9	Very low	135 Å²	135	110.2 Å²	110.2	72%	0.722	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-73.7	-12.9	-179.1	-69.1	-7	0	0	0	115	S513	S513-N515 PolarHBondContact O-N 3.15Å; S513-N515 VanDerWaalsContact O-N 3.09Å
516	V	33.7	Very low	32.8	Very low	95 Å²	95	106.7 Å²	106.7	58%	0.576	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-75	-32.9	-177.5	-176.4	0	0	0	0	111.8	D514 E518 V519	D514-V516 VanDerWaalsContact C-N 3.32Å; D514-V516 PolarHBondContact O-N 2.92Å; V516-E518 VanDerWaalsContact C-N 3.34Å; V516-E518 PolarHBondContact O-N 3.21Å; V516-V519 PolarHBondContact O-N 2.87Å
517	Y	30.8	Very low	33.7	Very low	186 Å²	186	101.6 Å²	101.6	73%	0.729	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	-13.9	-171.9	-88.6	-81.2	0	0	0	115.5	T520	Y517-T520 PolarHBondContact O-OG1 3.36Å
518	E	31.6	Very low	34.4	Very low	99 Å²	99	99.1 Å²	99.1	46%	0.463	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.1	-20.4	176.8	-136	-159.6	134	0	0	113.1	K436 Y438 V516 T520 H521	K436-E518 IonicContact NZ-OE1 2.68Å; K436-E518 PolarHBondContact NZ-OE1 3.33Å; Y438-E518 WeakPolarHBondContact CE1-OE2 3.44Å; V516-E518 VanDerWaalsContact C-N 3.34Å; V516-E518 PolarHBondContact O-N 3.21Å; E518-T520 VanDerWaalsContact C-N 3.31Å; E518-H521 PolarHBondContact O-N 3.37Å
519	V	32.3	Very low	35	Very low	73 Å²	73	92.8 Å²	92.8	44%	0.442	52%	0.524	S	S	.	.	G	3₁₀ helix	trans	-69.7	-31.9	177.6	-175.7	0	0	0	0	111	V516 H521 T522	V516-V519 PolarHBondContact O-N 2.87Å; V519-H521 PolarHBondContact O-N 3.32Å; V519-T522 PolarHBondContact O-OG1 3.17Å
520	T	31.1	Very low	35.7	Very low	103 Å²	103	89.1 Å²	89.1	63%	0.632	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-70.8	0.5	173.6	32.5	0	0	0	0	114.9	Y517 E518	Y517-T520 PolarHBondContact O-OG1 3.36Å; E518-T520 VanDerWaalsContact C-N 3.31Å
521	H	37.1	Very low	36.5	Very low	158 Å²	158	83.2 Å²	83.2	73%	0.731	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-120.6	9.8	-179.4	-73.1	-45.9	0	0	0	115	E518 V519	E518-H521 PolarHBondContact O-N 3.37Å; V519-H521 PolarHBondContact O-N 3.32Å
522	T	35.6	Very low	37.1	Very low	65 Å²	65	77.8 Å²	77.8	40%	0.399	42%	0.42	S	S	.	.	S	Bend	trans	-75	133	161.9	49.6	0	0	0	0	110.4	V519 T524	V519-T522 PolarHBondContact O-OG1 3.17Å; T522-T524 PolarHBondContact O-N 2.86Å
523	M	39.4	Very low	37.8	Very low	70 Å²	70	73 Å²	73	35%	0.345	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-49.7	127.3	168.7	-76.9	169.3	62	0	0	110	I416 A528 L531	I416-M523 HydrophobicContact CD1-SD 3.64Å; I416-M523 HydrophobicContact CG1-SD 4.45Å; M523-A528 HydrophobicContact CE-CB 4.01Å; M523-L531 HydrophobicContact CE-CB 4.43Å; M523-L531 HydrophobicContact CE-CD1 4.18Å
524	T	42.6	Very low	38.3	Very low	76 Å²	76	69.3 Å²	69.3	47%	0.466	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-67.6	158.6	175.2	77.5	0	0	0	0	110.1	T522 S526 S527 A528	T522-T524 PolarHBondContact O-N 2.86Å; T524-S526 PolarHBondContact O-N 2.98Å; T524-S526 PolarHBondContact OG1-N 3.39Å; T524-S527 PolarHBondContact O-N 3.1Å; T524-S527 VanDerWaalsContact O-N 3.1Å; T524-S527 PolarHBondContact OG1-N 2.93Å; T524-S527 PolarHBondContact OG1-OG 2.94Å; T524-A528 WeakPolarHBondContact O-CB 3.09Å; T524-A528 PolarHBondContact O-N 2.97Å
525	A	38.8	Very low	38.7	Very low	37 Å²	37	63.2 Å²	63.2	31%	0.306	34%	0.338	S	S	.	.	H	α-helix	trans	-59.4	-28.6	173.4	0	0	0	0	0	112.3	S529	A525-S529 VanDerWaalsContact O-CB 3.27Å; A525-S529 WeakPolarHBondContact O-CB 3.16Å; A525-S529 PolarHBondContact O-N 2.96Å
526	S	41.8	Very low	39	Very low	64 Å²	64	59 Å²	59	45%	0.448	32%	0.317	S	S	.	.	H	α-helix	trans	-68.5	-50	171.6	-169.6	0	0	0	0	111.5	T524 A528 S529 N530	T524-S526 PolarHBondContact O-N 2.98Å; T524-S526 PolarHBondContact OG1-N 3.39Å; S526-A528 VanDerWaalsContact C-N 3.32Å; S526-A528 PolarHBondContact O-N 2.98Å; S526-S529 PolarHBondContact O-N 2.9Å; S526-N530 VanDerWaalsContact O-CB 3.31Å; S526-N530 WeakPolarHBondContact O-CB 3.14Å; S526-N530 PolarHBondContact O-N 3.08Å
527	S	44.4	Very low	39.2	Very low	17 Å²	17	55.9 Å²	55.9	12%	0.119	30%	0.304	C	S	.	.	H	α-helix	trans	-59.3	-40.7	176.9	-46	0	0	0	0	112.1	T524 L531	T524-S527 PolarHBondContact O-N 3.1Å; T524-S527 VanDerWaalsContact O-N 3.1Å; T524-S527 PolarHBondContact OG1-N 2.93Å; T524-S527 PolarHBondContact OG1-OG 2.94Å; S527-L531 VanDerWaalsContact O-CB 3.26Å; S527-L531 WeakPolarHBondContact O-CB 3.49Å; S527-L531 PolarHBondContact O-N 3.43Å
528	A	42.7	Very low	39.5	Very low	18 Å²	18	47.3 Å²	47.3	15%	0.149	27%	0.271	C	S	.	.	H	α-helix	trans	-67.1	-48	175.6	0	0	0	0	0	112.1	C209 M523 T524 S526 N530 L531 A532	C209-A528 PolarHBondContact SG-O 3.23Å; C209-A528 VanDerWaalsContact SG-O 3.39Å; M523-A528 HydrophobicContact CE-CB 4.01Å; T524-A528 WeakPolarHBondContact O-CB 3.09Å; T524-A528 PolarHBondContact O-N 2.97Å; S526-A528 VanDerWaalsContact C-N 3.32Å; S526-A528 PolarHBondContact O-N 2.98Å; A528-N530 VanDerWaalsContact C-N 3.32Å; A528-N530 PolarHBondContact O-N 3.09Å; A528-L531 PolarHBondContact O-N 3.11Å; A528-A532 WeakPolarHBondContact O-CB 3.04Å; A528-A532 PolarHBondContact O-N 3.36Å
529	S	42.8	Very low	39.7	Very low	2 Å²	2	44.5 Å²	44.5	1%	0.014	26%	0.262	C	S	.	.	H	α-helix	trans	-65.2	-35.7	178.4	-169.4	0	0	0	0	112.6	C209 Q211 A525 S526 R533	C209-S529 WeakPolarHBondContact O-CB 3.43Å; C209-S529 PolarHBondContact O-OG 2.67Å; Q211-S529 WeakPolarHBondContact CG-OG 3.47Å; Q211-S529 PolarHBondContact OE1-OG 2.84Å; Q211-S529 VanDerWaalsContact OE1-OG 3.11Å; A525-S529 VanDerWaalsContact O-CB 3.27Å; A525-S529 WeakPolarHBondContact O-CB 3.16Å; A525-S529 PolarHBondContact O-N 2.96Å; S526-S529 PolarHBondContact O-N 2.9Å; S529-R533 VanDerWaalsContact O-CB 3.26Å; S529-R533 WeakPolarHBondContact O-CB 3.4Å; S529-R533 VanDerWaalsContact O-CG 3.3Å; S529-R533 WeakPolarHBondContact O-CG 3.38Å; S529-R533 PolarHBondContact O-N 2.84Å; S529-R533 PolarHBondContact O-NE 3.02Å; S529-R533 PolarHBondContact OG-NE 3.45Å; S529-R533 PolarHBondContact OG-NH2 3.16Å
530	N	43.8	Very low	39.9	Very low	20 Å²	20	48.7 Å²	48.7	11%	0.107	28%	0.282	C	S	.	.	H	α-helix	trans	-59.7	-63.7	168.5	-71.9	-13.4	0	0	0	110	S526 A528 A532 R533 A534 R851	S526-N530 VanDerWaalsContact O-CB 3.31Å; S526-N530 WeakPolarHBondContact O-CB 3.14Å; S526-N530 PolarHBondContact O-N 3.08Å; A528-N530 VanDerWaalsContact C-N 3.32Å; A528-N530 PolarHBondContact O-N 3.09Å; N530-A532 PolarHBondContact O-N 3.22Å; N530-A532 VanDerWaalsContact O-N 3.15Å; N530-R533 WeakPolarHBondContact O-CA 3.48Å; N530-R533 PolarHBondContact O-N 3.22Å; N530-R533 VanDerWaalsContact OD1-CZ 3.3Å; N530-R533 PolarHBondContact OD1-NH1 2.8Å; N530-R533 PolarHBondContact OD1-NH2 2.75Å; N530-A534 PolarHBondContact O-N 3.28Å; N530-A534 VanDerWaalsContact O-N 3.13Å; N530-R851 HydrophobicContact CB-CB 4.36Å; N530-R851 PolarHBondContact ND2-O 2.94Å; N530-R851 PolarHBondContact O-NH1 3.42Å; N530-R851 PolarHBondContact O-NH2 2.94Å
531	L	44.2	Very low	40	Very low	7 Å²	7	51 Å²	51	4%	0.037	29%	0.289	C	S	.	.	H	α-helix	trans	-51.8	-44	-175.4	-174.2	145.4	0	0	0	111.8	L414 M523 S527 A528 A534 I535 D849 F856	L414-L531 HydrophobicContact CD2-CD2 3.64Å; M523-L531 HydrophobicContact CE-CB 4.43Å; M523-L531 HydrophobicContact CE-CD1 4.18Å; S527-L531 VanDerWaalsContact O-CB 3.26Å; S527-L531 WeakPolarHBondContact O-CB 3.49Å; S527-L531 PolarHBondContact O-N 3.43Å; A528-L531 PolarHBondContact O-N 3.11Å; L531-A534 PolarHBondContact O-N 3.03Å; L531-I535 HydrophobicContact CD2-CD1 3.7Å; L531-I535 WeakPolarHBondContact O-CG1 3.39Å; L531-I535 PolarHBondContact O-N 2.79Å; L531-D849 PolarHBondContact N-OD2 2.97Å; L531-F856 HydrophobicContact CD1-CE1 4.12Å; L531-F856 HydrophobicContact CD1-CE2 4.2Å; L531-F856 HydrophobicContact CD1-CZ 3.64Å
532	A	42	Very low	39.6	Very low	1 Å²	1	48.6 Å²	48.6	1%	0.008	27%	0.274	C	S	.	.	H	α-helix	trans	-65.2	-44.5	172.9	0	0	0	0	0	114	C209 L414 A528 N530 A534 I535 V536	C209-A532 HydrophobicContact CB-CB 3.14Å; L414-A532 HydrophobicContact CD1-CB 4.21Å; L414-A532 HydrophobicContact CD2-CB 3.83Å; A528-A532 WeakPolarHBondContact O-CB 3.04Å; A528-A532 PolarHBondContact O-N 3.36Å; N530-A532 PolarHBondContact O-N 3.22Å; N530-A532 VanDerWaalsContact O-N 3.15Å; A532-A534 PolarHBondContact O-N 3.39Å; A532-A534 VanDerWaalsContact O-N 3.1Å; A532-I535 WeakPolarHBondContact O-CA 3.42Å; A532-I535 WeakPolarHBondContact O-CB 3.28Å; A532-I535 PolarHBondContact O-N 2.97Å; A532-V536 WeakPolarHBondContact O-CG2 3.19Å; A532-V536 PolarHBondContact O-N 3.21Å
533	R	42.7	Very low	39.3	Very low	90 Å²	90	54.6 Å²	54.6	34%	0.34	30%	0.297	S	S	.	.	H	α-helix	trans	-56.5	-27.7	176.3	-84.6	-175	-93.6	100.1	-3.3	113.1	S529 N530 G537 Q764	S529-R533 VanDerWaalsContact O-CB 3.26Å; S529-R533 WeakPolarHBondContact O-CB 3.4Å; S529-R533 VanDerWaalsContact O-CG 3.3Å; S529-R533 WeakPolarHBondContact O-CG 3.38Å; S529-R533 PolarHBondContact O-N 2.84Å; S529-R533 PolarHBondContact O-NE 3.02Å; S529-R533 PolarHBondContact OG-NE 3.45Å; S529-R533 PolarHBondContact OG-NH2 3.16Å; N530-R533 WeakPolarHBondContact O-CA 3.48Å; N530-R533 PolarHBondContact O-N 3.22Å; N530-R533 VanDerWaalsContact OD1-CZ 3.3Å; N530-R533 PolarHBondContact OD1-NH1 2.8Å; N530-R533 PolarHBondContact OD1-NH2 2.75Å; R533-G537 PolarHBondContact O-N 2.87Å; R533-Q764 PolarHBondContact O-NE2 2.95Å
534	A	40.4	Very low	38.8	Very low	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-72.4	-43	170.7	0	0	0	0	0	112.7	N530 L531 A532 V536 G537 S538 N822 R851	N530-A534 PolarHBondContact O-N 3.28Å; N530-A534 VanDerWaalsContact O-N 3.13Å; L531-A534 PolarHBondContact O-N 3.03Å; A532-A534 PolarHBondContact O-N 3.39Å; A532-A534 VanDerWaalsContact O-N 3.1Å; A534-V536 PolarHBondContact O-N 3.19Å; A534-G537 WeakPolarHBondContact O-CA 3.46Å; A534-G537 PolarHBondContact O-N 3.47Å; A534-S538 PolarHBondContact O-N 2.89Å; A534-S538 VanDerWaalsContact O-N 3.09Å; A534-N822 HydrophobicContact CB-CB 3.4Å; A534-R851 VanDerWaalsContact N-NH1 3.18Å
535	I	42.2	Very low	38.1	Very low	11 Å²	11	61.3 Å²	61.3	6%	0.056	33%	0.33	C	S	.	.	H	α-helix	trans	-59.1	-39.5	176.9	-64.6	167.4	0	0	0	110.6	D205 L414 L531 A532 S538 S539 R821	D205-I535 HydrophobicContact CB-CG2 4.15Å; D205-I535 WeakPolarHBondContact OD2-CG2 3.33Å; L414-I535 HydrophobicContact CD2-CD1 3.56Å; L531-I535 HydrophobicContact CD2-CD1 3.7Å; L531-I535 WeakPolarHBondContact O-CG1 3.39Å; L531-I535 PolarHBondContact O-N 2.79Å; A532-I535 WeakPolarHBondContact O-CA 3.42Å; A532-I535 WeakPolarHBondContact O-CB 3.28Å; A532-I535 PolarHBondContact O-N 2.97Å; I535-S538 WeakPolarHBondContact O-CB 3.38Å; I535-S538 PolarHBondContact O-N 2.83Å; I535-S538 VanDerWaalsContact O-N 3.08Å; I535-S538 PolarHBondContact O-OG 2.9Å; I535-S539 PolarHBondContact O-N 3.4Å; I535-R821 VanDerWaalsContact CD1-NH1 3.28Å; I535-R821 VanDerWaalsContact CG1-NH1 3.32Å
536	V	39.7	Very low	37.7	Very low	47 Å²	47	64.5 Å²	64.5	29%	0.285	35%	0.346	S	S	.	.	H	α-helix	trans	-65.1	-36.3	172.2	-174.2	0	0	0	0	112.3	A206 A532 A534 S538 S539	A206-V536 VanDerWaalsContact CA-CG2 3.43Å; A206-V536 HydrophobicContact CB-CB 4.45Å; A206-V536 HydrophobicContact CB-CG1 4.27Å; A206-V536 HydrophobicContact CB-CG2 3.29Å; A532-V536 WeakPolarHBondContact O-CG2 3.19Å; A532-V536 PolarHBondContact O-N 3.21Å; A534-V536 PolarHBondContact O-N 3.19Å; V536-S538 PolarHBondContact O-N 3.47Å; V536-S539 PolarHBondContact O-N 3.31Å; V536-S539 PolarHBondContact O-OG 3.46Å; V536-S539 VanDerWaalsContact O-OG 3.11Å
537	G	37.8	Very low	36.9	Very low	29 Å²	29	67.8 Å²	67.8	30%	0.299	36%	0.358	S	S	.	.	H	α-helix	trans	-57.9	-33	170.5	0	0	0	0	0	112.9	R533 A534 Q763	R533-G537 PolarHBondContact O-N 2.87Å; A534-G537 WeakPolarHBondContact O-CA 3.46Å; A534-G537 PolarHBondContact O-N 3.47Å; G537-Q763 PolarHBondContact O-OE1 2.93Å
538	S	37.4	Very low	36.2	Very low	7 Å²	7	74.1 Å²	74.1	5%	0.049	39%	0.386	C	S	.	.	H	α-helix	trans	-85.6	-22.7	178.4	84.2	0	0	0	0	115.5	A534 I535 V536 L540 L541 S820	A534-S538 PolarHBondContact O-N 2.89Å; A534-S538 VanDerWaalsContact O-N 3.09Å; I535-S538 WeakPolarHBondContact O-CB 3.38Å; I535-S538 PolarHBondContact O-N 2.83Å; I535-S538 VanDerWaalsContact O-N 3.08Å; I535-S538 PolarHBondContact O-OG 2.9Å; V536-S538 PolarHBondContact O-N 3.47Å; S538-L540 PolarHBondContact O-N 3.21Å; S538-L541 PolarHBondContact O-N 3.36Å; S538-S820 VanDerWaalsContact CB-O 3.25Å; S538-S820 WeakPolarHBondContact CB-O 3.4Å; S538-S820 PolarHBondContact OG-O 2.94Å
539	S	35.6	Very low	35.3	Very low	40 Å²	40	79.6 Å²	79.6	28%	0.28	42%	0.418	S	S	.	.	H	α-helix	trans	-66.1	-27.7	-166.4	66.1	0	0	0	0	113	I535 V536 L541 R542	I535-S539 PolarHBondContact O-N 3.4Å; V536-S539 PolarHBondContact O-N 3.31Å; V536-S539 PolarHBondContact O-OG 3.46Å; V536-S539 VanDerWaalsContact O-OG 3.11Å; S539-L541 PolarHBondContact O-N 3.5Å; S539-R542 PolarHBondContact O-N 2.87Å; S539-R542 VanDerWaalsContact O-N 3.15Å
540	L	35.5	Very low	34.5	Very low	161 Å²	161	89.5 Å²	89.5	84%	0.843	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-6.5	174.5	-74.3	166.4	0	0	0	115.3	S538	S538-L540 PolarHBondContact O-N 3.21Å
541	L	33.2	Very low	33.5	Very low	150 Å²	150	97.1 Å²	97.1	79%	0.785	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.5	0.2	179.7	-74.5	168.7	0	0	0	115.4	S538 S539	S538-L541 PolarHBondContact O-N 3.36Å; S539-L541 PolarHBondContact O-N 3.5Å
542	R	29.8	Very low	32.6	Very low	109 Å²	109	102.7 Å²	102.7	41%	0.411	53%	0.53	S	S	.	.			trans	-113.2	93.9	-176.8	-78.9	-171.1	170.9	121.9	2.7	114	S539 S820	S539-R542 PolarHBondContact O-N 2.87Å; S539-R542 VanDerWaalsContact O-N 3.15Å; R542-S820 PolarHBondContact NH1-OG 3.25Å; R542-S820 PolarHBondContact NH2-OG 3.44Å
543	Q	29.5	Very low	31.7	Very low	190 Å²	190	111.9 Å²	111.9	89%	0.888	57%	0.573	S	S	*	*			trans	-79.1	121.1	154.2	-74.8	-174.9	-22	0	0	109.9
544	S	28.6	Very low	30.9	Very low	95 Å²	95	114.5 Å²	114.5	66%	0.664	59%	0.592	S	S	*	*			trans	21	125	154.5	60.2	0	0	0	0	120.1
545	F	28.1	Very low	30	Very low	193 Å²	193	122.2 Å²	122.2	85%	0.846	63%	0.633	S	S	*	*				-157.1	155.6	124.1	-100.3	-65.1	0	0	0	111.1
546	T	28.9	Very low	29.1	Very low	103 Å²	103	126.7 Å²	126.7	63%	0.632	66%	0.664	S	S	*	*			trans	-110	132.8	-179.1	48.1	0	0	0	0	111
547	D	26	Very low	28.4	Very low	133 Å²	133	131.1 Å²	131.1	71%	0.711	69%	0.685	S	S	*	*			trans	-65.2	138.3	176.8	-76.7	-42.5	0	0	0	113.1	H390	H390-D547 PolarHBondContact CE1-O 3.48Å
548	Q	28.5	Very low	27.7	Very low	150 Å²	150	136.9 Å²	136.9	70%	0.701	71%	0.708	S	S	*	*			trans	-127.9	135.1	154	-75.5	-163.6	-13.3	0	0	110
549	V	25.4	Very low	27.2	Very low	134 Å²	134	142.9 Å²	142.9	81%	0.812	74%	0.736	S	S	*	*			trans	-87.3	125.2	-175.1	178.3	0	0	0	0	110.4
550	Y	25.4	Very low	26.7	Very low	209 Å²	209	148.8 Å²	148.8	82%	0.82	76%	0.764	S	S	*	*			trans	-135	133.9	165.3	-88.7	-86	0	0	0	111.2
551	Q	22.7	Very low	26.4	Very low	181 Å²	181	147.4 Å²	147.4	85%	0.846	76%	0.757	S	S	*	*			trans	-90.3	143	167.7	-60.2	171.8	-73.9	0	0	109.2
552	S	24.7	Very low	26	Very low	123 Å²	123	144.1 Å²	144.1	86%	0.86	76%	0.76	S	S	*	*			trans	-161.2	161.5	158.1	-83.6	0	0	0	0	111.1
553	E	23.8	Very low	25.9	Very low	194 Å²	194	145.9 Å²	145.9	91%	0.907	78%	0.783	S	S	*	*			trans	-80.3	154	-161.2	-58.7	166.9	140	0	0	113.9
554	I	25.2	Very low	25.8	Very low	145 Å²	145	140.5 Å²	140.5	74%	0.744	78%	0.779	S	S	*	*			trans	-106.7	122.3	174.3	-63.7	176.9	0	0	0	109.8
555	L	22.8	Very low	25.6	Very low	162 Å²	162	142.9 Å²	142.9	85%	0.848	78%	0.779	S	S	*	*			trans	-90.4	98.3	173.1	-106.3	161.3	0	0	0	110.3	I557	L555-I557 PolarHBondContact O-N 3.22Å
556	C	23.4	Very low	25.9	Very low	106 Å²	106	141.2 Å²	141.2	72%	0.716	78%	0.779	S	S	*	*			trans	-75	111.4	172	-62.1	0	0	0	0	110.5
557	I	24.3	Very low	26.4	Very low	139 Å²	139	141.4 Å²	141.4	71%	0.713	79%	0.785	S	S	*	*			trans	-96.6	111.9	171.2	-61.1	179.6	0	0	0	108.8	L555	L555-I557 PolarHBondContact O-N 3.22Å
558	N	23.3	Very low	27.7	Very low	150 Å²	150	137.3 Å²	137.3	80%	0.802	77%	0.766	S	S	*	*			trans	-89.4	126	162.6	-71.3	-67.8	0	0	0	108.6
559	H	26.8	Very low	29.7	Very low	134 Å²	134	131.4 Å²	131.4	62%	0.62	74%	0.739	S	S	*	*			trans	-131.3	100	155.2	-92.3	-76.3	0	0	0	111.3	D561	H559-D561 IonicContact CE1-OD2 3.65Å; H559-D561 IonicContact ND1-OD2 2.73Å; H559-D561 PolarHBondContact ND1-OD2 2.97Å; H559-D561 PolarHBondContact O-N 3.38Å
560	N	25.2	Very low	32.3	Very low	164 Å²	164	130 Å²	130	88%	0.877	72%	0.719	S	S	*	*			trans	-78.6	97.2	143.9	-78.3	-51.8	0	0	0	106.8
561	D	28.3	Very low	35.2	Very low	131 Å²	131	120.4 Å²	120.4	70%	0.701	68%	0.682	S	S	*	*			trans	-144.9	125.6	162.5	-85.8	-58.8	0	0	0	109.3	H559	H559-D561 IonicContact CE1-OD2 3.65Å; H559-D561 IonicContact ND1-OD2 2.73Å; H559-D561 PolarHBondContact ND1-OD2 2.97Å; H559-D561 PolarHBondContact O-N 3.38Å
562	G	25.5	Very low	38.3	Very low	82 Å²	82	116 Å²	116	85%	0.845	66%	0.664	S	S	*	*			trans	-103	99	-161.8	0	0	0	0	0	115.1
563	T	26.9	Very low	41.2	Very low	145 Å²	145	111.9 Å²	111.9	89%	0.89	63%	0.631	S	S	*	*			trans	-149.4	132	160.4	51.3	0	0	0	0	110.9
564	G	27.5	Very low	44.3	Very low	78 Å²	78	103.9 Å²	103.9	80%	0.804	60%	0.597	S	S	*	*	S	Bend	trans	123.7	152.5	177.5	0	0	0	0	0	113
565	Q	25.7	Very low	47.4	Very low	144 Å²	144	97 Å²	97	67%	0.673	56%	0.562	S	S	*	*			trans	-112.7	87	-176.7	-69.6	177.5	-100.2	0	0	111.2
566	D	33.8	Very low	50.5	Low	158 Å²	158	89.3 Å²	89.3	85%	0.845	52%	0.522	S	S	*	.			trans	-140	130.1	160.4	-95.1	-56.9	0	0	0	110.9
567	S	39.7	Very low	53.7	Low	107 Å²	107	84.9 Å²	84.9	75%	0.748	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-88.7	122	179.8	57.7	0	0	0	0	110.1	L569	S567-L569 PolarHBondContact O-N 2.83Å
568	P	52.6	Low	57	Low	48 Å²	48	78.6 Å²	78.6	31%	0.312	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-57.5	134.4	-178.8	18.8	-30.8	0	0	0	112.2	R570	P568-R570 WeakPolarHBondContact O-CG 3.34Å; P568-R570 PolarHBondContact O-N 2.88Å
569	L	70.5	Confident	60.3	Low	26 Å²	26	71.7 Å²	71.7	14%	0.136	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-56.1	127.2	174.8	-168.9	80.3	0	0	0	110.7	S567 F609 V628 Y893 I979	S567-L569 PolarHBondContact O-N 2.83Å; L569-F609 HydrophobicContact CD1-CE1 4.36Å; L569-F609 HydrophobicContact CD2-CD1 4.31Å; L569-F609 HydrophobicContact CD2-CE1 4.14Å; L569-F609 HydrophobicContact CG-CE1 4.15Å; L569-V628 HydrophobicContact CD2-CG2 3.45Å; L569-V628 VanDerWaalsContact CD2-CG2 3.45Å; L569-Y893 HydrophobicContact CB-CD1 4.39Å; L569-Y893 HydrophobicContact CB-CG 4.48Å; L569-I979 HydrophobicContact CD2-CD1 3.75Å; L569-I979 HydrophobicContact CG-CD1 3.87Å
570	R	81.2	Confident	63.5	Low	104 Å²	104	66.3 Å²	66.3	39%	0.392	40%	0.4	S	S	.	.	B	Isolated β-bridge	trans	-140.9	159.6	-174	-77.9	169.2	-177.8	-88.4	-12	111.9	P568 S631 D977	P568-R570 WeakPolarHBondContact O-CG 3.34Å; P568-R570 PolarHBondContact O-N 2.88Å; R570-S631 PolarHBondContact O-OG 2.66Å; R570-S631 VanDerWaalsContact O-OG 3.05Å; R570-D977 WeakPolarHBondContact CD-OD2 3.44Å; R570-D977 IonicContact CZ-OD2 3.96Å; R570-D977 IonicContact NE-OD2 2.67Å; R570-D977 IonicContact NH1-OD1 2.71Å; R570-D977 PolarHBondContact NH1-OD1 2.65Å; R570-D977 IonicContact NH1-OD2 3.52Å; R570-D977 PolarHBondContact NH1-OD2 3.47Å
571	M	86.3	Confident	66.6	Low	8 Å²	8	58.7 Å²	58.7	4%	0.039	36%	0.359	C	S	.	.			trans	-74.7	150	168.1	-59.5	168.7	55.7	0	0	110.4	R575 F578 I593 E607 F609 F963 G964 D977 I979	M571-R575 HydrophobicContact CE-CG 3.45Å; M571-R575 VanDerWaalsContact CE-CG 3.45Å; M571-F578 HydrophobicContact CE-CE1 4.31Å; M571-F578 HydrophobicContact CE-CZ 4.12Å; M571-I593 HydrophobicContact CE-CD1 3.74Å; M571-I593 HydrophobicContact CE-CG2 3.92Å; M571-I593 HydrophobicContact CG-CD1 3.86Å; M571-I593 HydrophobicContact SD-CD1 4.03Å; M571-E607 WeakPolarHBondContact CA-OE2 3.44Å; M571-E607 WeakPolarHBondContact CB-OE2 3.31Å; M571-F609 HydrophobicContact CG-CZ 4.31Å; M571-F963 HydrophobicContact CG-CD1 4.24Å; M571-F963 HydrophobicContact SD-CB 3.99Å; M571-F963 HydrophobicContact SD-CD1 4.28Å; M571-G964 PolarHBondContact SD-N 2.87Å; M571-G964 VanDerWaalsContact SD-N 3.45Å; M571-D977 HydrophobicContact CB-CB 4.37Å; M571-D977 PolarHBondContact N-O 2.92Å; M571-I979 HydrophobicContact CG-CD1 4.5Å; M571-I979 HydrophobicContact CG-CG1 4.31Å
572	L	87.3	Confident	69.6	Low	89 Å²	89	53.2 Å²	53.2	47%	0.466	33%	0.33	S	S	.	.	S	Bend	trans	-69.6	-36.1	-179.9	-57.5	177.9	0	0	0	112	E607 S631 I633	L572-E607 HydrophobicContact CB-CG 4.21Å; L572-E607 HydrophobicContact CD1-CG 4.22Å; L572-E607 HydrophobicContact CG-CG 4.32Å; L572-E607 VanDerWaalsContact N-CD 3.3Å; L572-E607 PolarHBondContact N-OE1 3.13Å; L572-E607 PolarHBondContact N-OE2 3.26Å; L572-S631 WeakPolarHBondContact CD2-OG 3.45Å; L572-I633 HydrophobicContact CD1-CG1 3.86Å
573	E	85.2	Confident	72.6	Confident	36 Å²	36	49.3 Å²	49.3	17%	0.168	29%	0.29	C	S	.	.	S	Bend	trans	-129.3	122.3	170.9	-61.2	-164.8	116.1	0	0	111.9	R575 K600 S605 E607	E573-R575 WeakPolarHBondContact O-CG 3.26Å; E573-R575 PolarHBondContact O-N 2.96Å; E573-R575 PolarHBondContact O-NE 3.31Å; E573-R575 IonicContact OE2-NH2 3.54Å; E573-K600 IonicContact OE1-NZ 3.27Å; E573-K600 PolarHBondContact OE1-NZ 3.15Å; E573-S605 PolarHBondContact OE2-OG 2.75Å; E573-S605 VanDerWaalsContact OE2-OG 3.14Å; E573-E607 PolarHBondContact N-OE1 3.31Å
574	A	87.9	Confident	75.3	Confident	25 Å²	25	44.2 Å²	44.2	21%	0.207	26%	0.26	C	S	.	.			trans	-54.8	127.8	167.8	0	0	0	0	0	110.9	N598 F975 S976 D977	A574-N598 WeakPolarHBondContact O-CB 3.35Å; A574-N598 PolarHBondContact O-ND2 2.71Å; A574-N598 VanDerWaalsContact O-ND2 3.17Å; A574-F975 HydrophobicContact CB-CB 4Å; A574-S976 VanDerWaalsContact CA-O 3.28Å; A574-S976 WeakPolarHBondContact CA-O 3.3Å; A574-D977 HydrophobicContact CB-CB 3.96Å
575	R	90.6	Very high	77.9	Confident	1 Å²	1	40.9 Å²	40.9	0%	0.004	22%	0.224	C	C	.	.			trans	-156.8	158.9	-170.6	60.2	178.5	80.3	-154	6.4	113.1	M571 E573 F578 G595 Y597 L603 S605 E607 G965 S976	M571-R575 HydrophobicContact CE-CG 3.45Å; M571-R575 VanDerWaalsContact CE-CG 3.45Å; E573-R575 WeakPolarHBondContact O-CG 3.26Å; E573-R575 PolarHBondContact O-N 2.96Å; E573-R575 PolarHBondContact O-NE 3.31Å; E573-R575 IonicContact OE2-NH2 3.54Å; R575-F578 HydrophobicContact CB-CD1 4.37Å; R575-F578 HydrophobicContact CG-CD1 3.62Å; R575-F578 HydrophobicContact CG-CE1 3.98Å; R575-F578 HydrophobicContact CG-CG 4.17Å; R575-F578 WeakPolarHBondContact O-CE1 3.31Å; R575-G595 WeakPolarHBondContact CD-O 3.42Å; R575-G595 PolarHBondContact NH1-O 2.83Å; R575-Y597 WeakPolarHBondContact CA-O 3.49Å; R575-L603 HydrophobicContact CB-CD1 3.92Å; R575-S605 PolarHBondContact NH1-O 3.49Å; R575-S605 PolarHBondContact NH1-OG 3.07Å; R575-S605 PolarHBondContact NH2-OG 3.13Å; R575-E607 IonicContact CZ-OE1 2.68Å; R575-E607 IonicContact NE-OE1 3.14Å; R575-E607 PolarHBondContact NE-OE1 2.74Å; R575-E607 IonicContact NH2-OE1 2.72Å; R575-E607 PolarHBondContact NH2-OE1 3.17Å; R575-G965 PolarHBondContact O-N 2.96Å; R575-S976 PolarHBondContact N-O 3.34Å
576	S	88.8	Confident	80.4	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-131.8	152.6	179.1	176.4	0	0	0	0	110.8	F578 Y597 S948	S576-F578 PolarHBondContact O-N 3.47Å; S576-F578 VanDerWaalsContact O-N 3.1Å; S576-Y597 PolarHBondContact N-O 3.49Å; S576-Y597 VanDerWaalsContact O-CD1 3.24Å; S576-Y597 WeakPolarHBondContact O-CD1 3.44Å; S576-Y597 PolarHBondContact O-N 3Å; S576-S948 WeakPolarHBondContact OG-CB 3.39Å
577	S	90.4	Very high	82.5	Confident	13 Å²	13	37.5 Å²	37.5	9%	0.091	22%	0.22	C	C	.	.	S	Bend	trans	50.8	38.3	175	-36.9	0	0	0	0	112.1	G596 Y597 R643 S948	S577-G596 WeakPolarHBondContact O-CA 3.41Å; S577-Y597 WeakPolarHBondContact OG-CE1 3.35Å; S577-R643 WeakPolarHBondContact O-CA 3.37Å; S577-R643 PolarHBondContact O-N 2.82Å; S577-S948 PolarHBondContact N-O 2.88Å; S577-S948 VanDerWaalsContact N-O 3.1Å; S577-S948 WeakPolarHBondContact OG-CB 3.34Å; S577-S948 PolarHBondContact OG-OG 3.21Å; S577-S948 VanDerWaalsContact OG-OG 3.13Å
578	F	93.7	Very high	84.5	Confident	7 Å²	7	36.8 Å²	36.8	3%	0.031	20%	0.203	C	C	.	.			trans	-78.1	179.2	161	57	-82.5	0	0	0	108.6	M571 R575 S576 I593 G595 G596 C950 F963	M571-F578 HydrophobicContact CE-CE1 4.31Å; M571-F578 HydrophobicContact CE-CZ 4.12Å; R575-F578 HydrophobicContact CB-CD1 4.37Å; R575-F578 HydrophobicContact CG-CD1 3.62Å; R575-F578 HydrophobicContact CG-CE1 3.98Å; R575-F578 HydrophobicContact CG-CG 4.17Å; R575-F578 WeakPolarHBondContact O-CE1 3.31Å; S576-F578 PolarHBondContact O-N 3.47Å; S576-F578 VanDerWaalsContact O-N 3.1Å; F578-I593 HydrophobicContact CD2-CG2 3.58Å; F578-I593 HydrophobicContact CE2-CG2 3.82Å; F578-I593 HydrophobicContact CG-CG2 4.21Å; F578-G595 WeakPolarHBondContact CB-O 3.44Å; F578-G596 VanDerWaalsContact CA-CA 3.42Å; F578-C950 HydrophobicContact CD2-CB 4.22Å; F578-C950 VanDerWaalsContact CD2-SG 3.6Å; F578-C950 HydrophobicContact CE2-CB 3.59Å; F578-C950 VanDerWaalsContact CE2-SG 3.52Å; F578-C950 HydrophobicContact CZ-CB 4.03Å; F578-C950 PolarHBondContact O-SG 2.82Å; F578-F963 HydrophobicContact CE2-CB 4.18Å; F578-F963 HydrophobicContact CZ-CB 3.91Å; F578-F963 WeakPolarHBondContact CZ-O 3.46Å
579	G	92.7	Very high	86.1	Confident	5 Å²	5	36.6 Å²	36.6	5%	0.052	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	153.7	162.9	0	0	0	0	0	110.6	I594	G579-I594 PolarHBondContact N-O 3.49Å; G579-I594 VanDerWaalsContact N-O 3.09Å; G579-I594 PolarHBondContact O-N 2.55Å
580	I	94	Very high	87	Confident	22 Å²	22	35.8 Å²	35.8	11%	0.113	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	146	172.4	-160.7	158.6	0	0	0	108.6	I591 A592 V646 C950 T952 F963	I580-I591 HydrophobicContact CD1-CG2 3.69Å; I580-I591 HydrophobicContact CG1-CG2 3.73Å; I580-A592 WeakPolarHBondContact CA-O 3.35Å; I580-V646 VanDerWaalsContact O-CG1 3.31Å; I580-V646 WeakPolarHBondContact O-CG1 3.3Å; I580-C950 HydrophobicContact CB-CB 3.78Å; I580-C950 HydrophobicContact CG2-CB 3.68Å; I580-T952 HydrophobicContact CD1-CG2 3.93Å; I580-F963 HydrophobicContact CD1-CD2 3.29Å; I580-F963 HydrophobicContact CD1-CE2 3.52Å; I580-F963 HydrophobicContact CD1-CG 4.02Å; I580-F963 HydrophobicContact CD1-CZ 4.41Å
581	G	91	Very high	87.5	Confident	3 Å²	3	30.8 Å²	30.8	3%	0.031	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	167.6	168.8	0	0	0	0	0	110.3	I591 A592 S648	G581-I591 CarbonylContact O-C 3.48Å; G581-A592 PolarHBondContact N-O 2.84Å; G581-A592 PolarHBondContact O-N 3.12Å; G581-S648 WeakPolarHBondContact CA-OG 3.36Å
582	Q	90	Very high	87.8	Confident	16 Å²	16	30.5 Å²	30.5	8%	0.075	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	152.1	172.4	-76.7	159.6	-60.2	0	0	110.7	Y590 I591 E611 S648 Y650 I660 T952 L953	Q582-Y590 CarbonylContact C-O 3.49Å; Q582-Y590 WeakPolarHBondContact CA-O 3.4Å; Q582-I591 HydrophobicContact CG-CB 4.37Å; Q582-I591 HydrophobicContact CG-CG1 3.85Å; Q582-E611 PolarHBondContact NE2-OE1 3.46Å; Q582-S648 PolarHBondContact N-OG 2.85Å; Q582-S648 WeakPolarHBondContact O-CB 3.37Å; Q582-S648 PolarHBondContact O-OG 2.81Å; Q582-Y650 HydrophobicContact CB-CE1 4.35Å; Q582-Y650 HydrophobicContact CB-CE2 4.35Å; Q582-Y650 WeakPolarHBondContact CB-OH 3.44Å; Q582-Y650 PolarHBondContact OE1-OH 3.1Å; Q582-I660 WeakPolarHBondContact O-CG1 3.32Å; Q582-T952 VanDerWaalsContact CD-OG1 3.27Å; Q582-T952 PolarHBondContact OE1-OG1 2.83Å; Q582-L953 PolarHBondContact NE2-O 2.88Å; Q582-L953 PolarHBondContact OE1-O 2.74Å
583	L	87.9	Confident	88.2	Confident	1 Å²	1	26.3 Å²	26.3	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	152.2	165.4	69.1	75.8	0	0	0	111.5	C585 Y590 D658 I660 L678 C680 L683	L583-C585 HydrophobicContact CD1-CB 3.81Å; L583-Y590 HydrophobicContact CD1-CD2 4.47Å; L583-Y590 PolarHBondContact N-O 2.68Å; L583-Y590 PolarHBondContact O-N 2.88Å; L583-D658 HydrophobicContact CB-CB 3.88Å; L583-I660 HydrophobicContact CB-CD1 4.27Å; L583-I660 HydrophobicContact CB-CG1 4.27Å; L583-I660 HydrophobicContact CD2-CD1 3.89Å; L583-I660 HydrophobicContact CD2-CG1 4.09Å; L583-I660 HydrophobicContact CG-CD1 4.18Å; L583-L678 HydrophobicContact CD2-CD2 4.22Å; L583-L678 HydrophobicContact CD2-CG 4.35Å; L583-C680 HydrophobicContact CD1-CB 3.72Å; L583-L683 HydrophobicContact CD1-CB 4.33Å; L583-L683 HydrophobicContact CD1-CD2 3.6Å; L583-L683 HydrophobicContact CD2-CB 4.27Å; L583-L683 HydrophobicContact CD2-CD2 4.15Å; L583-L683 HydrophobicContact CG-CD2 4.14Å
584	S	85	Confident	88.7	Confident	38 Å²	38	24.6 Å²	24.6	27%	0.266	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	123.7	177.8	-42.6	0	0	0	0	110.4	K588 H589 D658 C680	S584-K588 CarbonylContact C-O 3.59Å; S584-K588 WeakPolarHBondContact CA-O 3.38Å; S584-H589 PolarHBondContact OG-ND1 2.86Å; S584-D658 WeakPolarHBondContact CA-OD2 3.09Å; S584-D658 WeakPolarHBondContact CB-OD2 3.16Å; S584-D658 PolarHBondContact N-OD2 3.41Å; S584-D658 PolarHBondContact OG-OD2 2.79Å; S584-C680 WeakPolarHBondContact O-CB 3.32Å
585	C	80.9	Confident	88.9	Confident	7 Å²	7	23.4 Å²	23.4	5%	0.047	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	135.6	-178.9	-175	0	0	0	0	110.4	L583 S587 K588 Y590 C680 G684	L583-C585 HydrophobicContact CD1-CB 3.81Å; C585-S587 VanDerWaalsContact C-N 3.27Å; C585-S587 PolarHBondContact O-N 3.46Å; C585-K588 PolarHBondContact N-O 2.99Å; C585-K588 PolarHBondContact O-N 2.95Å; C585-Y590 HydrophobicContact CB-CD2 4.1Å; C585-Y590 HydrophobicContact CB-CE2 3.97Å; C585-C680 HydrophobicContact CB-CB 4.15Å; C585-C680 PolarHBondContact SG-O 2.95Å; C585-G684 WeakPolarHBondContact SG-CA 3.44Å
586	N	79.9	Confident	88.9	Confident	109 Å²	109	23.3 Å²	23.3	58%	0.583	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.9	44.9	175.6	-61.2	-20.5	0	0	0	113.8	K588	N586-K588 PolarHBondContact O-N 2.88Å
587	S	76.4	Confident	88.8	Confident	123 Å²	123	26 Å²	26	86%	0.86	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	61	18.8	-177.3	-53	0	0	0	0	116.1	C585	C585-S587 VanDerWaalsContact C-N 3.27Å; C585-S587 PolarHBondContact O-N 3.46Å
588	K	83.1	Confident	88.5	Confident	91 Å²	91	26.2 Å²	26.2	40%	0.396	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	146.4	171	-68.1	171.7	174.7	-178.8	0	109.9	S584 C585 N586 Y590 V610	S584-K588 CarbonylContact C-O 3.59Å; S584-K588 WeakPolarHBondContact CA-O 3.38Å; C585-K588 PolarHBondContact N-O 2.99Å; C585-K588 PolarHBondContact O-N 2.95Å; N586-K588 PolarHBondContact O-N 2.88Å; K588-Y590 HydrophobicContact CB-CD2 4.27Å; K588-Y590 HydrophobicContact CB-CE2 3.62Å; K588-Y590 HydrophobicContact CD-CE2 4.37Å; K588-Y590 WeakPolarHBondContact CD-OH 3.34Å; K588-V610 HydrophobicContact CB-CG1 4.03Å; K588-V610 HydrophobicContact CD-CG1 3.97Å; K588-V610 HydrophobicContact CG-CG1 4.14Å
589	H	85.5	Confident	88	Confident	44 Å²	44	34.6 Å²	34.6	20%	0.204	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	136	167.6	-49.4	-70.8	0	0	0	109	S584 E611 N613 S955	S584-H589 PolarHBondContact OG-ND1 2.86Å; H589-E611 HydrophobicContact CB-CB 4.23Å; H589-E611 HydrophobicContact CB-CG 4.39Å; H589-E611 PolarHBondContact O-N 2.74Å; H589-N613 PolarHBondContact CD2-ND2 2.85Å; H589-N613 PolarHBondContact NE2-ND2 2.91Å; H589-S955 PolarHBondContact CD2-OG 3.05Å
590	Y	90	Very high	87.5	Confident	9 Å²	9	38.4 Å²	38.4	4%	0.035	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	126.6	-178.4	-70.3	-96	0	0	0	109.6	Q582 L583 C585 K588 L608 F609 V610 L683 L687	Q582-Y590 CarbonylContact C-O 3.49Å; Q582-Y590 WeakPolarHBondContact CA-O 3.4Å; L583-Y590 HydrophobicContact CD1-CD2 4.47Å; L583-Y590 PolarHBondContact N-O 2.68Å; L583-Y590 PolarHBondContact O-N 2.88Å; C585-Y590 HydrophobicContact CB-CD2 4.1Å; C585-Y590 HydrophobicContact CB-CE2 3.97Å; K588-Y590 HydrophobicContact CB-CD2 4.27Å; K588-Y590 HydrophobicContact CB-CE2 3.62Å; K588-Y590 HydrophobicContact CD-CE2 4.37Å; K588-Y590 WeakPolarHBondContact CD-OH 3.34Å; Y590-L608 HydrophobicContact CD1-CB 4.41Å; Y590-F609 CarbonylContact C-O 3.6Å; Y590-F609 VanDerWaalsContact CA-O 3.32Å; Y590-F609 WeakPolarHBondContact CA-O 3.48Å; Y590-V610 HydrophobicContact CD1-CG2 3.98Å; Y590-V610 HydrophobicContact CE1-CG2 3.65Å; Y590-L683 HydrophobicContact CD1-CD2 4.32Å; Y590-L683 HydrophobicContact CD2-CD2 4.27Å; Y590-L683 HydrophobicContact CG-CD2 4.02Å; Y590-L687 HydrophobicContact CE1-CD1 3.91Å; Y590-L687 HydrophobicContact CE2-CD1 4.2Å; Y590-L687 WeakPolarHBondContact OH-CD1 3.43Å
591	I	91.2	Very high	87.2	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	118.4	166.4	-56.3	170.6	0	0	0	107.6	I580 G581 Q582 L608 F609 E611 V628 T952 L961 F963	I580-I591 HydrophobicContact CD1-CG2 3.69Å; I580-I591 HydrophobicContact CG1-CG2 3.73Å; G581-I591 CarbonylContact O-C 3.48Å; Q582-I591 HydrophobicContact CG-CB 4.37Å; Q582-I591 HydrophobicContact CG-CG1 3.85Å; I591-L608 CarbonylContact O-C 3.56Å; I591-L608 WeakPolarHBondContact O-CA 3.38Å; I591-F609 HydrophobicContact CB-CB 4.32Å; I591-F609 PolarHBondContact N-O 3.12Å; I591-F609 PolarHBondContact O-N 2.93Å; I591-E611 HydrophobicContact CD1-CG 3.93Å; I591-E611 HydrophobicContact CG1-CG 3.96Å; I591-E611 VanDerWaalsContact CG1-OE1 3.29Å; I591-E611 WeakPolarHBondContact CG1-OE1 3.47Å; I591-V628 HydrophobicContact CD1-CG1 3.85Å; I591-T952 HydrophobicContact CD1-CG2 3.85Å; I591-T952 HydrophobicContact CG1-CG2 4.24Å; I591-T952 HydrophobicContact CG2-CG2 4.02Å; I591-L961 HydrophobicContact CD1-CD1 3.82Å; I591-F963 HydrophobicContact CD1-CZ 4.34Å; I591-F963 HydrophobicContact CG2-CE2 4.33Å; I591-F963 HydrophobicContact CG2-CZ 4.27Å
592	A	93.1	Very high	87.1	Confident	2 Å²	2	39.7 Å²	39.7	2%	0.017	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	118.8	178.9	0	0	0	0	0	111.6	I580 G581 I594 V606 E607 L608 I660	I580-A592 WeakPolarHBondContact CA-O 3.35Å; G581-A592 PolarHBondContact N-O 2.84Å; G581-A592 PolarHBondContact O-N 3.12Å; A592-I594 HydrophobicContact CB-CD1 3.8Å; A592-I594 HydrophobicContact CB-CG1 4.08Å; A592-V606 HydrophobicContact CB-CG1 4.42Å; A592-E607 CarbonylContact C-O 3.58Å; A592-E607 WeakPolarHBondContact CA-O 3.47Å; A592-L608 HydrophobicContact CB-CD2 3.66Å; A592-I660 HydrophobicContact CB-CD1 3.81Å
593	I	94.5	Very high	87.1	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	118.5	170.3	-60.6	-173.1	0	0	0	108	M571 F578 V606 E607 F609 F963	M571-I593 HydrophobicContact CE-CD1 3.74Å; M571-I593 HydrophobicContact CE-CG2 3.92Å; M571-I593 HydrophobicContact CG-CD1 3.86Å; M571-I593 HydrophobicContact SD-CD1 4.03Å; F578-I593 HydrophobicContact CD2-CG2 3.58Å; F578-I593 HydrophobicContact CE2-CG2 3.82Å; F578-I593 HydrophobicContact CG-CG2 4.21Å; I593-V606 CarbonylContact O-C 3.57Å; I593-V606 VanDerWaalsContact O-CA 3.27Å; I593-V606 WeakPolarHBondContact O-CA 3.47Å; I593-E607 HydrophobicContact CB-CB 4.25Å; I593-E607 PolarHBondContact N-O 3.38Å; I593-E607 PolarHBondContact O-N 3.21Å; I593-F609 HydrophobicContact CD1-CD2 4.28Å; I593-F609 HydrophobicContact CD1-CE2 3.56Å; I593-F609 HydrophobicContact CD1-CZ 4.38Å; I593-F609 HydrophobicContact CG1-CE2 4.22Å; I593-F963 HydrophobicContact CD1-CB 4.26Å; I593-F963 HydrophobicContact CD1-CD1 3.46Å; I593-F963 VanDerWaalsContact CD1-CD1 3.46Å; I593-F963 HydrophobicContact CD1-CE1 3.96Å; I593-F963 HydrophobicContact CD1-CG 4.01Å; I593-F963 HydrophobicContact CG1-CD1 4.46Å
594	I	95.4	Very high	87.3	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	120	-164.4	-66.9	152.5	0	0	0	110.9	G579 A592 V606 L637 L644 V646 I660 A662 W741	G579-I594 PolarHBondContact N-O 3.49Å; G579-I594 VanDerWaalsContact N-O 3.09Å; G579-I594 PolarHBondContact O-N 2.55Å; A592-I594 HydrophobicContact CB-CD1 3.8Å; A592-I594 HydrophobicContact CB-CG1 4.08Å; I594-V606 HydrophobicContact CB-CG2 4.43Å; I594-V606 HydrophobicContact CG1-CG1 3.91Å; I594-V606 HydrophobicContact CG1-CG2 4.01Å; I594-V606 HydrophobicContact CG2-CG2 4.31Å; I594-L637 HydrophobicContact CG2-CD1 3.81Å; I594-L637 HydrophobicContact CG2-CD2 3.85Å; I594-L637 HydrophobicContact CG2-CG 4.09Å; I594-L644 HydrophobicContact CG2-CD1 4.23Å; I594-V646 HydrophobicContact CB-CG2 4.15Å; I594-V646 HydrophobicContact CD1-CG1 3.97Å; I594-V646 HydrophobicContact CD1-CG2 4.5Å; I594-V646 HydrophobicContact CG2-CG2 4.13Å; I594-I660 HydrophobicContact CD1-CD1 4.37Å; I594-I660 HydrophobicContact CD1-CG2 3.64Å; I594-A662 HydrophobicContact CG2-CB 4.4Å; I594-W741 HydrophobicContact CD1-CH2 3.87Å; I594-W741 HydrophobicContact CD1-CZ2 4.23Å; I594-W741 HydrophobicContact CG1-CH2 4.32Å; I594-W741 HydrophobicContact CG1-CZ2 4.24Å; I594-W741 HydrophobicContact CG2-CH2 4.28Å; I594-W741 HydrophobicContact CG2-CZ2 4.33Å
595	G	93.1	Very high	87.7	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.206	C	C	.	.			trans	65.7	-136.4	171.5	0	0	0	0	0	113.7	R575 F578 S605	R575-G595 WeakPolarHBondContact CD-O 3.42Å; R575-G595 PolarHBondContact NH1-O 2.83Å; F578-G595 WeakPolarHBondContact CB-O 3.44Å; G595-S605 PolarHBondContact N-O 3.45Å; G595-S605 VanDerWaalsContact N-O 3.15Å
596	G	90	Very high	88.2	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.205	C	C	.	.			trans	91.3	-162.2	-173.8	0	0	0	0	0	113.4	S577 F578 C602 L603 R641 G642	S577-G596 WeakPolarHBondContact O-CA 3.41Å; F578-G596 VanDerWaalsContact CA-CA 3.42Å; G596-C602 WeakPolarHBondContact O-CA 3.43Å; G596-L603 PolarHBondContact O-N 3.2Å; G596-R641 PolarHBondContact N-O 2.8Å; G596-G642 VanDerWaalsContact O-CA 3.24Å; G596-G642 WeakPolarHBondContact O-CA 3.42Å
597	Y	86.5	Confident	88.8	Confident	57 Å²	57	34.8 Å²	34.8	22%	0.224	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	157.6	174.7	76.8	-79.9	0	0	0	112.5	R575 S576 S577 G601 R643 F975	R575-Y597 WeakPolarHBondContact CA-O 3.49Å; S576-Y597 PolarHBondContact N-O 3.49Å; S576-Y597 VanDerWaalsContact O-CD1 3.24Å; S576-Y597 WeakPolarHBondContact O-CD1 3.44Å; S576-Y597 PolarHBondContact O-N 3Å; S577-Y597 WeakPolarHBondContact OG-CE1 3.35Å; Y597-G601 VanDerWaalsContact CA-O 3.31Å; Y597-G601 WeakPolarHBondContact CA-O 3.22Å; Y597-G601 WeakPolarHBondContact CB-O 3.32Å; Y597-R643 HydrophobicContact CD1-CG 4.31Å; Y597-R643 HydrophobicContact CE1-CG 4.31Å; Y597-F975 AromaticContact CD2-CE1 3.81Å; Y597-F975 HydrophobicContact CD2-CE1 3.81Å; Y597-F975 AromaticContact CD2-CZ 3.96Å; Y597-F975 HydrophobicContact CD2-CZ 3.96Å; Y597-F975 AromaticContact CE2-CE1 3.55Å; Y597-F975 HydrophobicContact CE2-CE1 3.55Å; Y597-F975 AromaticContact CE2-CZ 3.69Å; Y597-F975 HydrophobicContact CE2-CZ 3.69Å; Y597-F975 WeakPolarHBondContact O-CE1 3.48Å
598	N	85.6	Confident	89.6	Confident	17 Å²	17	28.9 Å²	28.9	9%	0.091	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	-164.7	169	67.1	31.8	0	0	0	110.4	A574 K600 G601 F975	A574-N598 WeakPolarHBondContact O-CB 3.35Å; A574-N598 PolarHBondContact O-ND2 2.71Å; A574-N598 VanDerWaalsContact O-ND2 3.17Å; N598-K600 PolarHBondContact O-N 3.49Å; N598-K600 VanDerWaalsContact OD1-CB 3.27Å; N598-K600 WeakPolarHBondContact OD1-CB 3.27Å; N598-K600 WeakPolarHBondContact OD1-CG 3.26Å; N598-K600 PolarHBondContact OD1-N 3.02Å; N598-G601 PolarHBondContact N-O 3.4Å; N598-G601 VanDerWaalsContact N-O 3.08Å; N598-G601 PolarHBondContact O-N 2.84Å; N598-F975 HydrophobicContact CB-CD1 4.24Å; N598-F975 HydrophobicContact CB-CD2 4.27Å; N598-F975 HydrophobicContact CB-CE1 4.49Å; N598-F975 HydrophobicContact CB-CG 4.14Å
599	R	82.3	Confident	89.9	Confident	182 Å²	182	24.6 Å²	24.6	69%	0.687	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-13.2	179.4	-69.5	-165.8	177.8	179.8	0.9	114.8	N972 T973 F975	R599-N972 PolarHBondContact NH2-O 3.02Å; R599-T973 VanDerWaalsContact CZ-O 3.25Å; R599-T973 PolarHBondContact NE-O 3.02Å; R599-T973 VanDerWaalsContact NH2-CA 3.34Å; R599-T973 PolarHBondContact NH2-O 3.23Å; R599-F975 HydrophobicContact CG-CD2 4.05Å; R599-F975 HydrophobicContact CG-CE2 3.67Å
600	K	83.3	Confident	90	Very high	86 Å²	86	23.4 Å²	23.4	37%	0.374	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-14.9	173.9	-59.7	174.7	180	176.3	0	114.2	E573 N598 S713	E573-K600 IonicContact OE1-NZ 3.27Å; E573-K600 PolarHBondContact OE1-NZ 3.15Å; N598-K600 PolarHBondContact O-N 3.49Å; N598-K600 VanDerWaalsContact OD1-CB 3.27Å; N598-K600 WeakPolarHBondContact OD1-CB 3.27Å; N598-K600 WeakPolarHBondContact OD1-CG 3.26Å; N598-K600 PolarHBondContact OD1-N 3.02Å; K600-S713 WeakPolarHBondContact CE-O 3.23Å; K600-S713 WeakPolarHBondContact CE-OG 3.29Å; K600-S713 PolarHBondContact NZ-O 2.89Å; K600-S713 PolarHBondContact NZ-OG 3.3Å
601	G	86.6	Confident	89.7	Confident	34 Å²	34	23.4 Å²	23.4	35%	0.351	12%	0.115	S	C	.	.	E	Extended strand (participates in β ladder)	trans	109.2	-159.6	-165.4	0	0	0	0	0	112.6	Y597 N598	Y597-G601 VanDerWaalsContact CA-O 3.31Å; Y597-G601 WeakPolarHBondContact CA-O 3.22Å; Y597-G601 WeakPolarHBondContact CB-O 3.32Å; N598-G601 PolarHBondContact N-O 3.4Å; N598-G601 VanDerWaalsContact N-O 3.08Å; N598-G601 PolarHBondContact O-N 2.84Å
602	C	89.8	Confident	89	Confident	17 Å²	17	26.4 Å²	26.4	12%	0.115	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	147.7	179.4	-65.7	0	0	0	0	112.1	G596 Q640 S666 T667 G668	G596-C602 WeakPolarHBondContact O-CA 3.43Å; C602-Q640 HydrophobicContact CB-CB 4.13Å; C602-S666 PolarHBondContact SG-O 3.08Å; C602-T667 VanDerWaalsContact SG-C 3.6Å; C602-G668 PolarHBondContact SG-N 3.45Å
603	L	89.9	Confident	87.4	Confident	9 Å²	9	29.6 Å²	29.6	5%	0.047	15%	0.148	C	C	.	.			trans	-108.3	144.2	-172.5	-55.7	177	0	0	0	111.4	R575 G596 R641	R575-L603 HydrophobicContact CB-CD1 3.92Å; G596-L603 PolarHBondContact O-N 3.2Å; L603-R641 PolarHBondContact O-N 2.94Å
604	D	91.8	Very high	85.4	Confident	35 Å²	35	34.1 Å²	34.1	19%	0.187	17%	0.168	C	C	.	.			trans	-103.7	-7.3	166.2	64.9	-45.4	0	0	0	111.9	R636 L637 Q640	D604-R636 WeakPolarHBondContact O-CA 3.19Å; D604-R636 IonicContact OD1-NH1 3.07Å; D604-R636 PolarHBondContact OD1-NH1 2.87Å; D604-R636 VanDerWaalsContact OD1-NH1 3.07Å; D604-R636 WeakPolarHBondContact OD2-CD 3.39Å; D604-R636 IonicContact OD2-CZ 3.69Å; D604-R636 IonicContact OD2-NE 2.72Å; D604-R636 IonicContact OD2-NH1 2.69Å; D604-R636 PolarHBondContact OD2-NH1 2.96Å; D604-L637 HydrophobicContact CB-CB 4.46Å; D604-L637 PolarHBondContact O-N 2.8Å; D604-Q640 HydrophobicContact CB-CG 3.92Å
605	S	92.3	Very high	82.6	Confident	17 Å²	17	40.5 Å²	40.5	12%	0.119	20%	0.203	C	C	.	.			trans	-70.9	134.6	-177.3	57.9	0	0	0	0	112.1	E573 R575 G595	E573-S605 PolarHBondContact OE2-OG 2.75Å; E573-S605 VanDerWaalsContact OE2-OG 3.14Å; R575-S605 PolarHBondContact NH1-O 3.49Å; R575-S605 PolarHBondContact NH1-OG 3.07Å; R575-S605 PolarHBondContact NH2-OG 3.13Å; G595-S605 PolarHBondContact N-O 3.45Å; G595-S605 VanDerWaalsContact N-O 3.15Å
606	V	92.9	Very high	79.7	Confident	3 Å²	3	48.8 Å²	48.8	2%	0.018	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	136.4	168.9	178.6	0	0	0	0	108.2	A592 I593 I594 L608 G634 P635 L637 W741	A592-V606 HydrophobicContact CB-CG1 4.42Å; I593-V606 CarbonylContact O-C 3.57Å; I593-V606 VanDerWaalsContact O-CA 3.27Å; I593-V606 WeakPolarHBondContact O-CA 3.47Å; I594-V606 HydrophobicContact CB-CG2 4.43Å; I594-V606 HydrophobicContact CG1-CG1 3.91Å; I594-V606 HydrophobicContact CG1-CG2 4.01Å; I594-V606 HydrophobicContact CG2-CG2 4.31Å; V606-L608 HydrophobicContact CG1-CD2 3.96Å; V606-G634 PolarHBondContact O-N 2.97Å; V606-P635 WeakPolarHBondContact CG2-O 3.44Å; V606-L637 HydrophobicContact CG2-CG 4.26Å; V606-W741 HydrophobicContact CG2-CZ2 4.16Å
607	E	92.5	Very high	76.8	Confident	4 Å²	4	58.1 Å²	58.1	2%	0.019	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	146.9	170.2	-48.7	177.8	-166.1	0	0	108.5	M571 L572 E573 R575 A592 I593 I632	M571-E607 WeakPolarHBondContact CA-OE2 3.44Å; M571-E607 WeakPolarHBondContact CB-OE2 3.31Å; L572-E607 HydrophobicContact CB-CG 4.21Å; L572-E607 HydrophobicContact CD1-CG 4.22Å; L572-E607 HydrophobicContact CG-CG 4.32Å; L572-E607 VanDerWaalsContact N-CD 3.3Å; L572-E607 PolarHBondContact N-OE1 3.13Å; L572-E607 PolarHBondContact N-OE2 3.26Å; E573-E607 PolarHBondContact N-OE1 3.31Å; R575-E607 IonicContact CZ-OE1 2.68Å; R575-E607 IonicContact NE-OE1 3.14Å; R575-E607 PolarHBondContact NE-OE1 2.74Å; R575-E607 IonicContact NH2-OE1 2.72Å; R575-E607 PolarHBondContact NH2-OE1 3.17Å; A592-E607 CarbonylContact C-O 3.58Å; A592-E607 WeakPolarHBondContact CA-O 3.47Å; I593-E607 HydrophobicContact CB-CB 4.25Å; I593-E607 PolarHBondContact N-O 3.38Å; I593-E607 PolarHBondContact O-N 3.21Å; E607-I632 CarbonylContact C-O 3.59Å; E607-I632 WeakPolarHBondContact CA-O 3.45Å
608	L	91.7	Very high	74.1	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	134.6	179.8	-50.5	167.8	0	0	0	109.8	Y590 I591 A592 V606 S631 I632 L683 W686 L687	Y590-L608 HydrophobicContact CD1-CB 4.41Å; I591-L608 CarbonylContact O-C 3.56Å; I591-L608 WeakPolarHBondContact O-CA 3.38Å; A592-L608 HydrophobicContact CB-CD2 3.66Å; V606-L608 HydrophobicContact CG1-CD2 3.96Å; L608-S631 CarbonylContact O-C 3.54Å; L608-S631 WeakPolarHBondContact O-CA 3.49Å; L608-I632 HydrophobicContact CB-CD1 4.39Å; L608-I632 HydrophobicContact CB-CG1 3.78Å; L608-I632 HydrophobicContact CD1-CD1 4.29Å; L608-I632 HydrophobicContact CD1-CG1 4.27Å; L608-I632 PolarHBondContact N-O 2.96Å; L608-I632 PolarHBondContact O-N 3.18Å; L608-L683 HydrophobicContact CD1-CD1 3.8Å; L608-L683 HydrophobicContact CD1-CD2 4.43Å; L608-L683 HydrophobicContact CD2-CD1 4.5Å; L608-W686 HydrophobicContact CD1-CZ3 4.34Å; L608-L687 HydrophobicContact CD1-CD2 4.5Å
609	F	89.1	Confident	71.2	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	143.2	166.9	-63.6	-108.7	0	0	0	107.9	L569 M571 Y590 I591 I593 V628 S629 F963 I979	L569-F609 HydrophobicContact CD1-CE1 4.36Å; L569-F609 HydrophobicContact CD2-CD1 4.31Å; L569-F609 HydrophobicContact CD2-CE1 4.14Å; L569-F609 HydrophobicContact CG-CE1 4.15Å; M571-F609 HydrophobicContact CG-CZ 4.31Å; Y590-F609 CarbonylContact C-O 3.6Å; Y590-F609 VanDerWaalsContact CA-O 3.32Å; Y590-F609 WeakPolarHBondContact CA-O 3.48Å; I591-F609 HydrophobicContact CB-CB 4.32Å; I591-F609 PolarHBondContact N-O 3.12Å; I591-F609 PolarHBondContact O-N 2.93Å; I593-F609 HydrophobicContact CD1-CD2 4.28Å; I593-F609 HydrophobicContact CD1-CE2 3.56Å; I593-F609 HydrophobicContact CD1-CZ 4.38Å; I593-F609 HydrophobicContact CG1-CE2 4.22Å; F609-V628 HydrophobicContact CB-CB 4.27Å; F609-V628 HydrophobicContact CB-CG1 4.22Å; F609-V628 HydrophobicContact CD1-CB 4.47Å; F609-S629 WeakPolarHBondContact CD1-O 3.4Å; F609-F963 HydrophobicContact CD2-CE1 4.13Å; F609-F963 HydrophobicContact CE1-CE1 4.27Å; F609-F963 HydrophobicContact CE2-CD1 4.44Å; F609-F963 AromaticContact CE2-CE1 3.89Å; F609-F963 HydrophobicContact CE2-CE1 3.89Å; F609-F963 HydrophobicContact CG-CE1 4.46Å; F609-F963 HydrophobicContact CZ-CD1 4.49Å; F609-F963 AromaticContact CZ-CE1 3.94Å; F609-F963 HydrophobicContact CZ-CE1 3.94Å; F609-I979 HydrophobicContact CD1-CD1 4.48Å; F609-I979 HydrophobicContact CE1-CD1 3.48Å; F609-I979 VanDerWaalsContact CE1-CD1 3.48Å; F609-I979 HydrophobicContact CZ-CD1 3.63Å
610	V	87.8	Confident	68.5	Low	20 Å²	20	69.8 Å²	69.8	12%	0.121	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	127.1	175.1	-171.7	0	0	0	0	108.6	K588 Y590 V628 S629	K588-V610 HydrophobicContact CB-CG1 4.03Å; K588-V610 HydrophobicContact CD-CG1 3.97Å; K588-V610 HydrophobicContact CG-CG1 4.14Å; Y590-V610 HydrophobicContact CD1-CG2 3.98Å; Y590-V610 HydrophobicContact CE1-CG2 3.65Å; V610-V628 CarbonylContact O-C 3.59Å; V610-V628 VanDerWaalsContact O-CA 3.22Å; V610-V628 WeakPolarHBondContact O-CA 3.25Å; V610-S629 WeakPolarHBondContact CB-OG 3.48Å; V610-S629 PolarHBondContact N-OG 3.23Å; V610-S629 VanDerWaalsContact N-OG 3.09Å; V610-S629 PolarHBondContact O-N 2.86Å
611	E	83.9	Confident	65.7	Low	9 Å²	9	70.9 Å²	70.9	4%	0.042	37%	0.37	C	S	.	.	B	Isolated β-bridge	trans	-76	133.4	174.7	-59.8	-173.6	-144.3	0	0	111	Q582 H589 I591 N613 P627 V628 T954 S955	Q582-E611 PolarHBondContact NE2-OE1 3.46Å; H589-E611 HydrophobicContact CB-CB 4.23Å; H589-E611 HydrophobicContact CB-CG 4.39Å; H589-E611 PolarHBondContact O-N 2.74Å; I591-E611 HydrophobicContact CD1-CG 3.93Å; I591-E611 HydrophobicContact CG1-CG 3.96Å; I591-E611 VanDerWaalsContact CG1-OE1 3.29Å; I591-E611 WeakPolarHBondContact CG1-OE1 3.47Å; E611-N613 PolarHBondContact O-N 3.09Å; E611-P627 WeakPolarHBondContact CA-O 3.27Å; E611-V628 HydrophobicContact CB-CG1 4.48Å; E611-V628 HydrophobicContact CG-CG1 3.92Å; E611-T954 WeakPolarHBondContact OE2-CA 3.28Å; E611-T954 WeakPolarHBondContact OE2-CB 3.03Å; E611-S955 PolarHBondContact OE2-N 3.09Å; E611-S955 PolarHBondContact OE2-OG 3.19Å
612	N	77.3	Confident	62.9	Low	63 Å²	63	73.4 Å²	73.4	34%	0.337	38%	0.383	S	S	.	.			trans	-88.8	93	-176.7	-72.3	-26.7	0	0	0	110.5	H614 S626 P627	N612-H614 PolarHBondContact O-CD2 3.17Å; N612-H614 PolarHBondContact O-N 3.37Å; N612-S626 WeakPolarHBondContact CB-O 3.38Å; N612-S626 PolarHBondContact ND2-O 2.97Å; N612-P627 PolarHBondContact N-O 2.9Å
613	N	59.3	Low	60.2	Low	69 Å²	69	78.6 Å²	78.6	37%	0.369	41%	0.409	S	S	.	.			trans	-68	100.3	179	-83.9	-18.7	0	0	0	112.3	H589 E611 N615	H589-N613 PolarHBondContact CD2-ND2 2.85Å; H589-N613 PolarHBondContact NE2-ND2 2.91Å; E611-N613 PolarHBondContact O-N 3.09Å; N613-N615 PolarHBondContact O-N 3.47Å
614	H	51.8	Low	57.8	Low	94 Å²	94	83.3 Å²	83.3	44%	0.435	43%	0.431	S	S	.	.			trans	-67.6	19.2	176.7	-56.2	-106.5	0	0	0	115.2	N612 R958	N612-H614 PolarHBondContact O-CD2 3.17Å; N612-H614 PolarHBondContact O-N 3.37Å; H614-R958 PolarHBondContact CD2-NH2 3.12Å; H614-R958 PolarHBondContact NE2-NH2 3Å
615	N	36.4	Very low	55.9	Low	135 Å²	135	87 Å²	87	72%	0.722	45%	0.451	S	S	*	.			trans	-102.6	64.1	-174.7	-76.9	-27.9	0	0	0	112.2	N613	N613-N615 PolarHBondContact O-N 3.47Å
616	Q	33.8	Very low	54.4	Low	174 Å²	174	87 Å²	87	81%	0.813	45%	0.45	S	S	*	.	S	Bend	trans	-136	149.1	162.8	-70.9	-160.5	5.5	0	0	112.2	Y618	Q616-Y618 PolarHBondContact O-N 3.05Å; Q616-Y618 VanDerWaalsContact O-N 3.08Å
617	Q	28.1	Very low	53.3	Low	196 Å²	196	87.4 Å²	87.4	92%	0.916	45%	0.453	S	S	*	.			trans	-84.9	72.7	-166.6	-59.8	172.3	-77.5	0	0	112.9
618	Y	29.7	Very low	52.7	Low	190 Å²	190	87.3 Å²	87.3	75%	0.745	45%	0.453	S	S	*	.			trans	-136.9	116.1	170.2	-84.3	-76.4	0	0	0	112.8	Q616 S620	Q616-Y618 PolarHBondContact O-N 3.05Å; Q616-Y618 VanDerWaalsContact O-N 3.08Å; Y618-S620 PolarHBondContact O-N 2.62Å
619	E	25.4	Very low	52.1	Low	211 Å²	211	88.4 Å²	88.4	99%	0.986	46%	0.461	S	S	*	.	S	Bend	trans	-76.4	52	178.8	-62	-178.3	124.9	0	0	112.6
620	S	25.2	Very low	51.7	Low	100 Å²	100	93.3 Å²	93.3	70%	0.699	49%	0.493	S	S	*	.			trans	-165.3	57.2	177.9	63.1	0	0	0	0	114.6	Y618	Y618-S620 PolarHBondContact O-N 2.62Å
621	C	24.7	Very low	51.5	Low	108 Å²	108	93.5 Å²	93.5	73%	0.73	50%	0.495	S	S	*	.			trans	-130.5	146.2	166.7	-72.4	0	0	0	0	110
622	S	27.7	Very low	51.7	Low	88 Å²	88	96.3 Å²	96.3	62%	0.615	51%	0.509	S	S	*	.			trans	-85.7	135.3	179.8	42.1	0	0	0	0	111.4	E624	S622-E624 PolarHBondContact O-N 3.1Å
623	D	33.3	Very low	52.3	Low	126 Å²	126	97.2 Å²	97.2	67%	0.674	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	26.7	-172	-60.9	-63.9	0	0	0	116
624	E	38.6	Very low	53.7	Low	108 Å²	108	94 Å²	94	51%	0.505	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-0.1	-171.7	-56.7	-91.7	135.5	0	0	113.1	S622	S622-E624 PolarHBondContact O-N 3.1Å
625	D	52.1	Low	55.6	Low	113 Å²	113	89.7 Å²	89.7	60%	0.604	48%	0.477	S	S	*	.			trans	-75.6	141.8	-177	-83.1	-44	0	0	0	114.1
626	S	61.1	Low	58.3	Low	15 Å²	15	89.2 Å²	89.2	11%	0.105	47%	0.465	C	S	.	.			trans	-62.8	145.6	179.8	-157.9	0	0	0	0	112.7	N612 V628 Y893	N612-S626 WeakPolarHBondContact CB-O 3.38Å; N612-S626 PolarHBondContact ND2-O 2.97Å; S626-V628 VanDerWaalsContact CB-O 3.25Å; S626-V628 WeakPolarHBondContact CB-O 3.39Å; S626-V628 PolarHBondContact O-N 3.1Å; S626-V628 PolarHBondContact OG-O 3.33Å; S626-V628 VanDerWaalsContact OG-O 3.07Å; S626-Y893 WeakPolarHBondContact CA-OH 3.37Å; S626-Y893 WeakPolarHBondContact CB-OH 3.32Å; S626-Y893 PolarHBondContact N-OH 3.08Å; S626-Y893 WeakPolarHBondContact OG-CE2 3.38Å; S626-Y893 PolarHBondContact OG-OH 3.1Å
627	P	69.8	Low	60.9	Low	13 Å²	13	81.4 Å²	81.4	8%	0.084	43%	0.429	C	S	.	.	S	Bend	trans	-65.4	-15.5	168.7	28.1	-35.4	0	0	0	113	E611 N612 Y959 L961 M981	E611-P627 WeakPolarHBondContact CA-O 3.27Å; N612-P627 PolarHBondContact N-O 2.9Å; P627-Y959 HydrophobicContact CB-CD2 4.15Å; P627-Y959 HydrophobicContact CB-CE2 4.41Å; P627-L961 HydrophobicContact CG-CD2 4.47Å; P627-M981 HydrophobicContact CG-SD 3.97Å
628	V	79	Confident	63.7	Low	1 Å²	1	74.3 Å²	74.3	1%	0.006	40%	0.399	C	S	.	.	B	Isolated β-bridge	trans	-140.9	143.6	-179.7	-83	0	0	0	0	113.1	L569 I591 F609 V610 E611 S626 L961	L569-V628 HydrophobicContact CD2-CG2 3.45Å; L569-V628 VanDerWaalsContact CD2-CG2 3.45Å; I591-V628 HydrophobicContact CD1-CG1 3.85Å; F609-V628 HydrophobicContact CB-CB 4.27Å; F609-V628 HydrophobicContact CB-CG1 4.22Å; F609-V628 HydrophobicContact CD1-CB 4.47Å; V610-V628 CarbonylContact O-C 3.59Å; V610-V628 VanDerWaalsContact O-CA 3.22Å; V610-V628 WeakPolarHBondContact O-CA 3.25Å; E611-V628 HydrophobicContact CB-CG1 4.48Å; E611-V628 HydrophobicContact CG-CG1 3.92Å; S626-V628 VanDerWaalsContact CB-O 3.25Å; S626-V628 WeakPolarHBondContact CB-O 3.39Å; S626-V628 PolarHBondContact O-N 3.1Å; S626-V628 PolarHBondContact OG-O 3.33Å; S626-V628 VanDerWaalsContact OG-O 3.07Å; V628-L961 HydrophobicContact CG1-CD1 3.92Å; V628-L961 HydrophobicContact CG2-CD1 4Å
629	S	79.9	Confident	66.4	Low	24 Å²	24	69.2 Å²	69.2	17%	0.168	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-63.5	160.4	171.7	77	0	0	0	0	112.5	F609 V610	F609-S629 WeakPolarHBondContact CD1-O 3.4Å; V610-S629 WeakPolarHBondContact CB-OG 3.48Å; V610-S629 PolarHBondContact N-OG 3.23Å; V610-S629 VanDerWaalsContact N-OG 3.09Å; V610-S629 PolarHBondContact O-N 2.86Å
630	P	80.6	Confident	69.4	Low	103 Å²	103	63.5 Å²	63.5	67%	0.669	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-48.1	148.9	158.4	-27.2	36.2	0	0	0	112.3
631	S	83.2	Confident	72.6	Confident	23 Å²	23	58.8 Å²	58.8	16%	0.161	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-71.2	134.3	-176.2	39.8	0	0	0	0	112.6	R570 L572 L608	R570-S631 PolarHBondContact O-OG 2.66Å; R570-S631 VanDerWaalsContact O-OG 3.05Å; L572-S631 WeakPolarHBondContact CD2-OG 3.45Å; L608-S631 CarbonylContact O-C 3.54Å; L608-S631 WeakPolarHBondContact O-CA 3.49Å
632	I	87.7	Confident	75.5	Confident	68 Å²	68	53.6 Å²	53.6	35%	0.349	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	160.2	169.2	67.1	175.6	0	0	0	110.1	E607 L608 L687	E607-I632 CarbonylContact C-O 3.59Å; E607-I632 WeakPolarHBondContact CA-O 3.45Å; L608-I632 HydrophobicContact CB-CD1 4.39Å; L608-I632 HydrophobicContact CB-CG1 3.78Å; L608-I632 HydrophobicContact CD1-CD1 4.29Å; L608-I632 HydrophobicContact CD1-CG1 4.27Å; L608-I632 PolarHBondContact N-O 2.96Å; L608-I632 PolarHBondContact O-N 3.18Å; I632-L687 HydrophobicContact CD1-CD2 4.03Å
633	I	90.5	Very high	78.6	Confident	82 Å²	82	54.1 Å²	54.1	42%	0.421	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	145.3	171.6	-61.1	175	0	0	0	108.5	L572 W686 F716	L572-I633 HydrophobicContact CD1-CG1 3.86Å; I633-W686 WeakPolarHBondContact O-CH2 3.25Å; I633-W686 VanDerWaalsContact O-CZ3 3.23Å; I633-W686 WeakPolarHBondContact O-CZ3 3.27Å; I633-F716 HydrophobicContact CD1-CE1 4.23Å
634	G	89.5	Confident	81.5	Confident	2 Å²	2	48.6 Å²	48.6	2%	0.021	25%	0.245	C	C	.	.			trans	-116.2	179.5	172.9	0	0	0	0	0	114	V606 R636	V606-G634 PolarHBondContact O-N 2.97Å; G634-R636 PolarHBondContact O-N 3.28Å
635	P	92.1	Very high	84.2	Confident	3 Å²	3	43.8 Å²	43.8	2%	0.019	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-64.2	119	178.8	25.2	-32.9	0	0	0	111.3	V606 L678 L683 W686 F740 W741	V606-P635 WeakPolarHBondContact CG2-O 3.44Å; P635-L678 HydrophobicContact CG-CD1 4.24Å; P635-L678 HydrophobicContact CG-CD2 4.17Å; P635-L683 HydrophobicContact CG-CD1 3.94Å; P635-W686 HydrophobicContact CB-CD2 4.13Å; P635-W686 HydrophobicContact CB-CG 3.9Å; P635-W686 HydrophobicContact CG-CD2 4.36Å; P635-W686 HydrophobicContact CG-CG 4.3Å; P635-F740 HydrophobicContact CB-CB 4.24Å; P635-W741 PolarHBondContact O-NE1 3.19Å
636	R	91.9	Very high	86.3	Confident	126 Å²	126	39.3 Å²	39.3	48%	0.475	20%	0.2	S	C	.	.	P	Polyproline II helix	trans	-57	142	176.9	-73.3	177	177.8	-94.5	0.5	111.9	D604 G634	D604-R636 WeakPolarHBondContact O-CA 3.19Å; D604-R636 IonicContact OD1-NH1 3.07Å; D604-R636 PolarHBondContact OD1-NH1 2.87Å; D604-R636 VanDerWaalsContact OD1-NH1 3.07Å; D604-R636 WeakPolarHBondContact OD2-CD 3.39Å; D604-R636 IonicContact OD2-CZ 3.69Å; D604-R636 IonicContact OD2-NE 2.72Å; D604-R636 IonicContact OD2-NH1 2.69Å; D604-R636 PolarHBondContact OD2-NH1 2.96Å; G634-R636 PolarHBondContact O-N 3.28Å
637	L	89.7	Confident	87.7	Confident	9 Å²	9	38.9 Å²	38.9	5%	0.047	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-61.7	156.4	173.2	-73	164.4	0	0	0	112	I594 D604 V606 K639 R641 A662 W741	I594-L637 HydrophobicContact CG2-CD1 3.81Å; I594-L637 HydrophobicContact CG2-CD2 3.85Å; I594-L637 HydrophobicContact CG2-CG 4.09Å; D604-L637 HydrophobicContact CB-CB 4.46Å; D604-L637 PolarHBondContact O-N 2.8Å; V606-L637 HydrophobicContact CG2-CG 4.26Å; L637-K639 VanDerWaalsContact CB-O 3.25Å; L637-K639 WeakPolarHBondContact CB-O 3.26Å; L637-K639 PolarHBondContact O-N 3.02Å; L637-R641 HydrophobicContact CD1-CB 4.1Å; L637-R641 HydrophobicContact CD1-CG 4.36Å; L637-A662 HydrophobicContact CD2-CB 4.01Å; L637-W741 HydrophobicContact CD2-CD2 3.92Å; L637-W741 HydrophobicContact CD2-CE3 4.2Å; L637-W741 HydrophobicContact CD2-CG 4.49Å; L637-W741 HydrophobicContact CD2-CH2 4.18Å; L637-W741 HydrophobicContact CD2-CZ2 3.87Å; L637-W741 HydrophobicContact CD2-CZ3 4.32Å
638	T	85.6	Confident	88.6	Confident	47 Å²	47	39.2 Å²	39.2	29%	0.288	20%	0.2	S	C	.	.	S	Bend	trans	-61.9	-23.6	175.9	72.9	0	0	0	0	113.4	D676 W741	T638-D676 PolarHBondContact OG1-OD1 2.73Å; T638-D676 PolarHBondContact OG1-OD2 3.42Å; T638-W741 HydrophobicContact CG2-CB 3.83Å
639	K	86.5	Confident	88.4	Confident	83 Å²	83	39.2 Å²	39.2	36%	0.361	20%	0.2	S	C	.	.	S	Bend	trans	-148	155.7	-175.1	-63.1	166.6	-158.8	167.5	0	109	L637 R641 S674	L637-K639 VanDerWaalsContact CB-O 3.25Å; L637-K639 WeakPolarHBondContact CB-O 3.26Å; L637-K639 PolarHBondContact O-N 3.02Å; K639-R641 PolarHBondContact O-N 2.94Å; K639-S674 PolarHBondContact NZ-OG 2.88Å
640	Q	88.9	Confident	87.8	Confident	92 Å²	92	42.1 Å²	42.1	43%	0.43	21%	0.208	S	C	.	.			trans	-64.8	126.4	164.2	-71.2	172.5	-12.5	0	0	109.6	C602 D604	C602-Q640 HydrophobicContact CB-CB 4.13Å; D604-Q640 HydrophobicContact CB-CG 3.92Å
641	R	91.5	Very high	86.7	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.178	C	C	.	.			trans	-134.9	98.9	-177.3	-65.7	175.5	174.7	-96.2	10.2	109.7	G596 L603 L637 K639 L644 A662 G664 L672 S674 D676	G596-R641 PolarHBondContact N-O 2.8Å; L603-R641 PolarHBondContact O-N 2.94Å; L637-R641 HydrophobicContact CD1-CB 4.1Å; L637-R641 HydrophobicContact CD1-CG 4.36Å; K639-R641 PolarHBondContact O-N 2.94Å; R641-L644 HydrophobicContact CB-CB 4.43Å; R641-L644 HydrophobicContact CB-CD1 3.9Å; R641-A662 PolarHBondContact NH1-O 2.93Å; R641-G664 PolarHBondContact NH1-O 2.87Å; R641-L672 HydrophobicContact CG-CD1 3.9Å; R641-S674 VanDerWaalsContact CZ-O 3.29Å; R641-S674 PolarHBondContact NH1-O 3.1Å; R641-S674 PolarHBondContact NH2-O 3.08Å; R641-S674 PolarHBondContact NH2-OG 3.33Å; R641-D676 IonicContact CZ-OD2 3.96Å; R641-D676 VanDerWaalsContact CZ-OD2 3.27Å; R641-D676 IonicContact NE-OD2 2.75Å; R641-D676 PolarHBondContact NE-OD2 3.31Å; R641-D676 IonicContact NH2-OD1 3.93Å; R641-D676 PolarHBondContact NH2-OD1 2.79Å; R641-D676 IonicContact NH2-OD2 3.55Å; R641-D676 PolarHBondContact NH2-OD2 2.83Å
642	G	87	Confident	85.1	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-95	159.1	162.8	0	0	0	0	0	111.1	G596 L644 G665 S666	G596-G642 VanDerWaalsContact O-CA 3.24Å; G596-G642 WeakPolarHBondContact O-CA 3.42Å; G642-L644 PolarHBondContact O-N 3.13Å; G642-G665 CarbonylContact O-C 3.55Å; G642-G665 WeakPolarHBondContact O-CA 3.5Å; G642-S666 PolarHBondContact N-O 2.93Å; G642-S666 PolarHBondContact O-N 3.39Å
643	R	92.2	Very high	83.2	Confident	98 Å²	98	45 Å²	45	37%	0.37	21%	0.213	S	C	.	.	S	Bend	trans	57.4	33.4	173.9	-57.1	177.4	-169.1	155.3	1.3	113.5	S577 Y597 G665 T752 N753 P754	S577-R643 WeakPolarHBondContact O-CA 3.37Å; S577-R643 PolarHBondContact O-N 2.82Å; Y597-R643 HydrophobicContact CD1-CG 4.31Å; Y597-R643 HydrophobicContact CE1-CG 4.31Å; R643-G665 WeakPolarHBondContact O-CA 3.15Å; R643-T752 VanDerWaalsContact CB-OG1 3.29Å; R643-T752 WeakPolarHBondContact CB-OG1 3.26Å; R643-T752 WeakPolarHBondContact CD-OG1 3.45Å; R643-N753 VanDerWaalsContact CB-OD1 3.24Å; R643-N753 WeakPolarHBondContact CB-OD1 3.4Å; R643-N753 WeakPolarHBondContact CD-OD1 3.2Å; R643-N753 VanDerWaalsContact CG-OD1 3.3Å; R643-N753 WeakPolarHBondContact CG-OD1 3.3Å; R643-N753 WeakPolarHBondContact O-CA 3.34Å; R643-N753 PolarHBondContact O-N 2.93Å; R643-P754 WeakPolarHBondContact O-CD 3.09Å
644	L	94.5	Very high	81.1	Confident	10 Å²	10	46.8 Å²	46.8	5%	0.052	23%	0.233	C	C	.	.			trans	-88.3	160.3	177.8	75.1	174.3	0	0	0	111.1	I594 R641 G642 V646 A662	I594-L644 HydrophobicContact CG2-CD1 4.23Å; R641-L644 HydrophobicContact CB-CB 4.43Å; R641-L644 HydrophobicContact CB-CD1 3.9Å; G642-L644 PolarHBondContact O-N 3.13Å; L644-V646 HydrophobicContact CD1-CG2 3.8Å; L644-V646 HydrophobicContact CG-CG2 4.03Å; L644-A662 HydrophobicContact CD1-CB 4.1Å
645	A	95.3	Very high	79.2	Confident	7 Å²	7	52.8 Å²	52.8	6%	0.058	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	145.3	157.9	0	0	0	0	0	109.3	C663 P754	A645-C663 HydrophobicContact CB-CB 4.2Å; A645-C663 PolarHBondContact N-O 2.83Å; A645-C663 PolarHBondContact O-N 3.48Å; A645-P754 HydrophobicContact CB-CG 4.01Å
646	V	95	Very high	77.5	Confident	19 Å²	19	56.3 Å²	56.3	12%	0.115	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	138.8	165	174.3	0	0	0	0	107.9	I580 I594 L644 I660 Y661	I580-V646 VanDerWaalsContact O-CG1 3.31Å; I580-V646 WeakPolarHBondContact O-CG1 3.3Å; I594-V646 HydrophobicContact CB-CG2 4.15Å; I594-V646 HydrophobicContact CD1-CG1 3.97Å; I594-V646 HydrophobicContact CD1-CG2 4.5Å; I594-V646 HydrophobicContact CG2-CG2 4.13Å; L644-V646 HydrophobicContact CD1-CG2 3.8Å; L644-V646 HydrophobicContact CG-CG2 4.03Å; V646-I660 HydrophobicContact CG1-CG2 3.43Å; V646-I660 VanDerWaalsContact CG1-CG2 3.43Å; V646-Y661 VanDerWaalsContact CA-O 3.28Å; V646-Y661 WeakPolarHBondContact CA-O 3.42Å
647	V	92.3	Very high	76.3	Confident	7 Å²	7	52.1 Å²	52.1	4%	0.042	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	135.4	179.1	-172.9	0	0	0	0	108.9	I660 Y661 V757 D758 I775	V647-I660 WeakPolarHBondContact O-CA 3.46Å; V647-Y661 PolarHBondContact N-O 3.28Å; V647-Y661 PolarHBondContact O-N 2.77Å; V647-V757 VanDerWaalsContact CG1-C 3.49Å; V647-D758 HydrophobicContact CG1-CB 3.72Å; V647-D758 VanDerWaalsContact CG1-N 3.34Å; V647-I775 HydrophobicContact CB-CB 4.38Å; V647-I775 HydrophobicContact CB-CG2 3.99Å; V647-I775 HydrophobicContact CG1-CB 4.03Å; V647-I775 HydrophobicContact CG1-CG2 3.46Å; V647-I775 VanDerWaalsContact CG1-CG2 3.46Å
648	S	87.5	Confident	75.9	Confident	20 Å²	20	52.2 Å²	52.2	14%	0.14	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	126.6	170.6	-76.7	0	0	0	0	109.9	G581 Q582 I659 D758	G581-S648 WeakPolarHBondContact CA-OG 3.36Å; Q582-S648 PolarHBondContact N-OG 2.85Å; Q582-S648 WeakPolarHBondContact O-CB 3.37Å; Q582-S648 PolarHBondContact O-OG 2.81Å; S648-I659 WeakPolarHBondContact CA-O 3.49Å; S648-D758 WeakPolarHBondContact O-CB 3.48Å
649	S	76	Confident	76.1	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.007	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	118.6	170.2	-155.4	0	0	0	0	108.8	I659 D758 G773	S649-I659 PolarHBondContact N-O 2.91Å; S649-I659 PolarHBondContact O-N 2.84Å; S649-I659 VanDerWaalsContact O-N 3.11Å; S649-D758 WeakPolarHBondContact CA-OD1 3.2Å; S649-D758 WeakPolarHBondContact CB-OD1 3.44Å; S649-D758 PolarHBondContact OG-OD1 2.83Å; S649-G773 VanDerWaalsContact OG-CA 3.22Å; S649-G773 WeakPolarHBondContact OG-CA 3.3Å; S649-G773 PolarHBondContact OG-N 2.91Å
650	Y	67.2	Low	76.4	Confident	85 Å²	85	46.4 Å²	46.4	33%	0.333	24%	0.24	S	C	.	.			trans	-94.7	116.1	-174.7	-83.7	-73.9	0	0	0	110.5	Q582 D658	Q582-Y650 HydrophobicContact CB-CE1 4.35Å; Q582-Y650 HydrophobicContact CB-CE2 4.35Å; Q582-Y650 WeakPolarHBondContact CB-OH 3.44Å; Q582-Y650 PolarHBondContact OE1-OH 3.1Å; Y650-D658 WeakPolarHBondContact CA-OD1 3.47Å
651	L	57.4	Low	76.7	Confident	11 Å²	11	42.1 Å²	42.1	6%	0.058	22%	0.22	C	C	.	.			trans	-127.4	95.4	-167.2	-57.9	178.4	0	0	0	108.9	S653 F656 D658 I659 N772	L651-S653 PolarHBondContact O-N 2.72Å; L651-F656 HydrophobicContact CB-CB 3.98Å; L651-F656 WeakPolarHBondContact CB-O 3.34Å; L651-F656 HydrophobicContact CD1-CB 3.77Å; L651-F656 HydrophobicContact CG-CB 4.43Å; L651-F656 VanDerWaalsContact O-O 3.06Å; L651-D658 PolarHBondContact N-OD1 2.87Å; L651-I659 HydrophobicContact CD1-CD1 4.13Å; L651-N772 HydrophobicContact CD1-CB 4.36Å; L651-N772 HydrophobicContact CD2-CB 3.75Å
652	Q	48.2	Very low	76.9	Confident	201 Å²	201	42.1 Å²	42.1	94%	0.939	22%	0.22	S	C	*	.			trans	-78.3	7	-173.8	-63	-172.9	-15.8	0	0	114
653	S	49.1	Very low	77.3	Confident	43 Å²	43	42.1 Å²	42.1	30%	0.301	22%	0.22	S	C	.	.	S	Bend	trans	-94.9	139.4	177	52.3	0	0	0	0	111.3	L651 D655 F656	L651-S653 PolarHBondContact O-N 2.72Å; S653-D655 PolarHBondContact O-N 2.9Å; S653-F656 CarbonylContact O-C 3.48Å; S653-F656 PolarHBondContact O-N 2.79Å
654	S	45.8	Very low	77.4	Confident	119 Å²	119	37.4 Å²	37.4	83%	0.832	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.9	-30.7	173.9	44.3	0	0	0	0	114.6	F656	S654-F656 VanDerWaalsContact C-N 3.34Å
655	D	49.4	Very low	77.3	Confident	128 Å²	128	37 Å²	37	68%	0.684	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-10.3	-167.4	-49.3	-10.7	0	0	0	112.1	S653	S653-D655 PolarHBondContact O-N 2.9Å
656	F	56.6	Low	77	Confident	77 Å²	77	36.9 Å²	36.9	34%	0.338	20%	0.199	S	C	.	.	S	Bend	trans	-142.1	108.1	179.9	-60.8	-91.4	0	0	0	109.4	L651 S653 S654 N772	L651-F656 HydrophobicContact CB-CB 3.98Å; L651-F656 WeakPolarHBondContact CB-O 3.34Å; L651-F656 HydrophobicContact CD1-CB 3.77Å; L651-F656 HydrophobicContact CG-CB 4.43Å; L651-F656 VanDerWaalsContact O-O 3.06Å; S653-F656 CarbonylContact O-C 3.48Å; S653-F656 PolarHBondContact O-N 2.79Å; S654-F656 VanDerWaalsContact C-N 3.34Å; F656-N772 HydrophobicContact CD1-CB 4.26Å; F656-N772 HydrophobicContact CD2-CB 4.37Å; F656-N772 HydrophobicContact CG-CB 4.18Å
657	P	66.2	Low	76.7	Confident	37 Å²	37	37.9 Å²	37.9	24%	0.24	21%	0.205	C	C	.	.			trans	-73.3	160.1	179.8	28.3	-34.3	0	0	0	112.8	I659 T679 C680	P657-I659 WeakPolarHBondContact O-CD1 3.41Å; P657-I659 VanDerWaalsContact O-CG1 3.31Å; P657-I659 WeakPolarHBondContact O-CG1 3.34Å; P657-I659 PolarHBondContact O-N 3.14Å; P657-T679 HydrophobicContact CG-CG2 4.26Å; P657-C680 WeakPolarHBondContact CB-SG 3.46Å
658	D	82.9	Confident	76.1	Confident	12 Å²	12	40.5 Å²	40.5	6%	0.064	23%	0.233	C	C	.	.			trans	-54.9	132.2	166.1	-78.5	-8.9	0	0	0	110.7	L583 S584 Y650 L651 C680	L583-D658 HydrophobicContact CB-CB 3.88Å; S584-D658 WeakPolarHBondContact CA-OD2 3.09Å; S584-D658 WeakPolarHBondContact CB-OD2 3.16Å; S584-D658 PolarHBondContact N-OD2 3.41Å; S584-D658 PolarHBondContact OG-OD2 2.79Å; Y650-D658 WeakPolarHBondContact CA-OD1 3.47Å; L651-D658 PolarHBondContact N-OD1 2.87Å; D658-C680 HydrophobicContact CB-CB 4.38Å; D658-C680 PolarHBondContact O-N 2.91Å
659	I	88.3	Confident	75.8	Confident	8 Å²	8	45 Å²	45	4%	0.041	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	138	-173.7	-68.5	151.1	0	0	0	111.2	S648 S649 L651 P657 Y661 K677 L678 T679	S648-I659 WeakPolarHBondContact CA-O 3.49Å; S649-I659 PolarHBondContact N-O 2.91Å; S649-I659 PolarHBondContact O-N 2.84Å; S649-I659 VanDerWaalsContact O-N 3.11Å; L651-I659 HydrophobicContact CD1-CD1 4.13Å; P657-I659 WeakPolarHBondContact O-CD1 3.41Å; P657-I659 VanDerWaalsContact O-CG1 3.31Å; P657-I659 WeakPolarHBondContact O-CG1 3.34Å; P657-I659 PolarHBondContact O-N 3.14Å; I659-Y661 HydrophobicContact CB-CE2 4.09Å; I659-Y661 HydrophobicContact CG2-CD1 4.28Å; I659-Y661 HydrophobicContact CG2-CD2 3.68Å; I659-Y661 HydrophobicContact CG2-CE1 3.97Å; I659-Y661 HydrophobicContact CG2-CE2 3.32Å; I659-Y661 HydrophobicContact CG2-CG 4.15Å; I659-Y661 VanDerWaalsContact CG2-CZ 3.48Å; I659-K677 HydrophobicContact CG2-CD 4.21Å; I659-K677 HydrophobicContact CG2-CG 3.58Å; I659-L678 WeakPolarHBondContact CA-O 3.29Å; I659-T679 HydrophobicContact CG1-CG2 4.15Å
660	I	93.3	Very high	76.5	Confident	0 Å²	0	52 Å²	52	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	130.8	166.1	-52.9	-179.5	0	0	0	110	Q582 L583 A592 I594 V646 V647 K677 L678 W741	Q582-I660 WeakPolarHBondContact O-CG1 3.32Å; L583-I660 HydrophobicContact CB-CD1 4.27Å; L583-I660 HydrophobicContact CB-CG1 4.27Å; L583-I660 HydrophobicContact CD2-CD1 3.89Å; L583-I660 HydrophobicContact CD2-CG1 4.09Å; L583-I660 HydrophobicContact CG-CD1 4.18Å; A592-I660 HydrophobicContact CB-CD1 3.81Å; I594-I660 HydrophobicContact CD1-CD1 4.37Å; I594-I660 HydrophobicContact CD1-CG2 3.64Å; V646-I660 HydrophobicContact CG1-CG2 3.43Å; V646-I660 VanDerWaalsContact CG1-CG2 3.43Å; V647-I660 WeakPolarHBondContact O-CA 3.46Å; I660-K677 CarbonylContact O-C 3.57Å; I660-K677 WeakPolarHBondContact O-CA 3.48Å; I660-L678 PolarHBondContact N-O 2.99Å; I660-L678 PolarHBondContact O-N 3.3Å; I660-W741 HydrophobicContact CG2-CH2 4.39Å
661	Y	94.4	Very high	77.7	Confident	1 Å²	1	49.7 Å²	49.7	0%	0.004	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	124.3	175.7	-62.3	-88.7	0	0	0	111.1	V646 V647 I659 V675 D676 K677 I744 G773 I775 Y793	V646-Y661 VanDerWaalsContact CA-O 3.28Å; V646-Y661 WeakPolarHBondContact CA-O 3.42Å; V647-Y661 PolarHBondContact N-O 3.28Å; V647-Y661 PolarHBondContact O-N 2.77Å; I659-Y661 HydrophobicContact CB-CE2 4.09Å; I659-Y661 HydrophobicContact CG2-CD1 4.28Å; I659-Y661 HydrophobicContact CG2-CD2 3.68Å; I659-Y661 HydrophobicContact CG2-CE1 3.97Å; I659-Y661 HydrophobicContact CG2-CE2 3.32Å; I659-Y661 HydrophobicContact CG2-CG 4.15Å; I659-Y661 VanDerWaalsContact CG2-CZ 3.48Å; Y661-V675 HydrophobicContact CD1-CG1 4.42Å; Y661-D676 CarbonylContact C-O 3.59Å; Y661-D676 WeakPolarHBondContact CA-O 3.48Å; Y661-K677 HydrophobicContact CD1-CB 4.28Å; Y661-K677 HydrophobicContact CD1-CG 4.21Å; Y661-K677 HydrophobicContact CE1-CB 4.41Å; Y661-K677 HydrophobicContact CE1-CD 4.19Å; Y661-K677 HydrophobicContact CE1-CG 4Å; Y661-I744 HydrophobicContact CD1-CD1 3.73Å; Y661-I744 HydrophobicContact CE1-CD1 3.71Å; Y661-G773 PolarHBondContact OH-O 3.42Å; Y661-I775 HydrophobicContact CD1-CD1 4.17Å; Y661-I775 HydrophobicContact CD2-CD1 3.95Å; Y661-I775 HydrophobicContact CD2-CG2 3.76Å; Y661-I775 HydrophobicContact CE2-CG2 3.92Å; Y661-I775 HydrophobicContact CG-CD1 3.7Å; Y661-Y793 HydrophobicContact CE1-CD1 4.45Å; Y661-Y793 HydrophobicContact CE1-CE1 4.13Å
662	A	95.6	Very high	79.4	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	99	174.2	0	0	0	0	0	110.3	I594 L637 R641 L644 V675 D676 W741	I594-A662 HydrophobicContact CG2-CB 4.4Å; L637-A662 HydrophobicContact CD2-CB 4.01Å; R641-A662 PolarHBondContact NH1-O 2.93Å; L644-A662 HydrophobicContact CD1-CB 4.1Å; A662-V675 WeakPolarHBondContact O-CA 3.39Å; A662-D676 HydrophobicContact CB-CB 4.48Å; A662-D676 PolarHBondContact N-O 3.01Å; A662-D676 PolarHBondContact O-N 3.36Å; A662-D676 VanDerWaalsContact O-N 3.1Å; A662-W741 HydrophobicContact CB-CH2 4.33Å; A662-W741 HydrophobicContact CB-CZ3 3.93Å
663	C	95.8	Very high	81.6	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	123.7	-166	-60.3	0	0	0	0	112.8	A645 G665 V675 I775 V777	A645-C663 HydrophobicContact CB-CB 4.2Å; A645-C663 PolarHBondContact N-O 2.83Å; A645-C663 PolarHBondContact O-N 3.48Å; C663-G665 PolarHBondContact O-N 3.22Å; C663-V675 HydrophobicContact CB-CG1 4.42Å; C663-V675 HydrophobicContact CB-CG2 4.33Å; C663-V675 VanDerWaalsContact SG-CG1 3.56Å; C663-I775 VanDerWaalsContact SG-CD1 3.56Å; C663-V777 HydrophobicContact CB-CG2 4.01Å
664	G	94	Very high	83.8	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	24%	0.244	C	C	.	.			trans	55.9	-133.8	174.2	0	0	0	0	0	114.2	R641 L672 S674	R641-G664 PolarHBondContact NH1-O 2.87Å; G664-L672 VanDerWaalsContact CA-O 3.22Å; G664-L672 WeakPolarHBondContact CA-O 2.97Å; G664-S674 PolarHBondContact N-O 3.31Å
665	G	92.6	Very high	86.2	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.204	C	C	.	.			trans	90	-157.6	-176.1	0	0	0	0	0	112.6	G642 R643 C663 D671 L672 R751	G642-G665 CarbonylContact O-C 3.55Å; G642-G665 WeakPolarHBondContact O-CA 3.5Å; R643-G665 WeakPolarHBondContact O-CA 3.15Å; C663-G665 PolarHBondContact O-N 3.22Å; G665-D671 WeakPolarHBondContact O-CA 3.17Å; G665-L672 WeakPolarHBondContact O-CB 3.49Å; G665-L672 PolarHBondContact O-N 3.06Å; G665-R751 PolarHBondContact N-O 3.26Å
666	S	89.6	Confident	88.4	Confident	6 Å²	6	28.1 Å²	28.1	4%	0.042	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-142.8	147.2	-176.9	-161.7	0	0	0	0	111.5	C602 G642 G668 K670 D671	C602-S666 PolarHBondContact SG-O 3.08Å; G642-S666 PolarHBondContact N-O 2.93Å; G642-S666 PolarHBondContact O-N 3.39Å; S666-G668 PolarHBondContact O-N 3.27Å; S666-G668 PolarHBondContact OG-N 3.23Å; S666-K670 WeakPolarHBondContact CA-O 3.37Å; S666-K670 PolarHBondContact OG-O 2.95Å; S666-D671 VanDerWaalsContact CB-OD1 3.3Å; S666-D671 WeakPolarHBondContact CB-OD1 3.43Å; S666-D671 PolarHBondContact OG-OD1 2.97Å
667	T	88.2	Confident	90.1	Very high	39 Å²	39	26.5 Å²	26.5	24%	0.239	16%	0.164	C	C	.	.			trans	-77.6	-5.3	169.5	61.8	0	0	0	0	112.7	C602 S669 K670 L672	C602-T667 VanDerWaalsContact SG-C 3.6Å; T667-S669 VanDerWaalsContact C-N 3.26Å; T667-S669 PolarHBondContact OG1-N 3.09Å; T667-S669 VanDerWaalsContact OG1-N 3.16Å; T667-S669 PolarHBondContact OG1-OG 3.06Å; T667-K670 PolarHBondContact N-O 2.81Å; T667-K670 PolarHBondContact OG1-N 3.09Å; T667-K670 PolarHBondContact OG1-O 3.38Å; T667-L672 HydrophobicContact CG2-CD1 4.22Å; T667-L672 HydrophobicContact CG2-CD2 4.1Å; T667-L672 HydrophobicContact CG2-CG 4.39Å
668	G	80.4	Confident	91.3	Very high	62 Å²	62	24.8 Å²	24.8	64%	0.639	15%	0.153	S	C	*	.	S	Bend	trans	86.4	-8.7	-165.9	0	0	0	0	0	113.6	C602 S666	C602-G668 PolarHBondContact SG-N 3.45Å; S666-G668 PolarHBondContact O-N 3.27Å; S666-G668 PolarHBondContact OG-N 3.23Å
669	S	80.9	Confident	91.7	Very high	115 Å²	115	25.2 Å²	25.2	80%	0.804	16%	0.156	S	C	*	.	S	Bend	trans	-127.7	-20.6	173.9	58.1	0	0	0	0	114	T667	T667-S669 VanDerWaalsContact C-N 3.26Å; T667-S669 PolarHBondContact OG1-N 3.09Å; T667-S669 VanDerWaalsContact OG1-N 3.16Å; T667-S669 PolarHBondContact OG1-OG 3.06Å
670	K	90.3	Very high	91.7	Very high	148 Å²	148	25.8 Å²	25.8	64%	0.643	16%	0.161	S	C	*	.	S	Bend	trans	-149.8	135.1	179	174.9	169.3	179.9	176.7	0	110.8	S666 T667	S666-K670 WeakPolarHBondContact CA-O 3.37Å; S666-K670 PolarHBondContact OG-O 2.95Å; T667-K670 PolarHBondContact N-O 2.81Å; T667-K670 PolarHBondContact OG1-N 3.09Å; T667-K670 PolarHBondContact OG1-O 3.38Å
671	D	92	Very high	91.4	Very high	37 Å²	37	32.1 Å²	32.1	20%	0.198	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-76.3	147.5	172.2	-59.2	-26.5	0	0	0	111.2	G665 S666 T752	G665-D671 WeakPolarHBondContact O-CA 3.17Å; S666-D671 VanDerWaalsContact CB-OD1 3.3Å; S666-D671 WeakPolarHBondContact CB-OD1 3.43Å; S666-D671 PolarHBondContact OG-OD1 2.97Å; D671-T752 WeakPolarHBondContact OD1-CB 3.37Å; D671-T752 WeakPolarHBondContact OD1-CG2 3.39Å
672	L	93.6	Very high	91.2	Very high	15 Å²	15	33 Å²	33	8%	0.079	20%	0.197	C	C	.	.			trans	-113.6	136.4	-167	-62.2	174.8	0	0	0	111.3	R641 G664 G665 T667 R751	R641-L672 HydrophobicContact CG-CD1 3.9Å; G664-L672 VanDerWaalsContact CA-O 3.22Å; G664-L672 WeakPolarHBondContact CA-O 2.97Å; G665-L672 WeakPolarHBondContact O-CB 3.49Å; G665-L672 PolarHBondContact O-N 3.06Å; T667-L672 HydrophobicContact CG2-CD1 4.22Å; T667-L672 HydrophobicContact CG2-CD2 4.1Å; T667-L672 HydrophobicContact CG2-CG 4.39Å; L672-R751 PolarHBondContact O-N 2.84Å; L672-R751 VanDerWaalsContact O-N 3.14Å
673	A	95.7	Very high	90.9	Very high	24 Å²	24	33 Å²	33	20%	0.198	20%	0.198	C	C	.	.			trans	-97.5	-21.9	163.5	0	0	0	0	0	112.3	S746 L747 A750	A673-S746 CarbonylContact O-C 3.5Å; A673-S746 WeakPolarHBondContact O-CA 3.42Å; A673-S746 WeakPolarHBondContact O-CB 3.33Å; A673-L747 HydrophobicContact CB-CB 4.36Å; A673-L747 WeakPolarHBondContact CB-O 3.23Å; A673-L747 PolarHBondContact O-N 2.94Å; A673-A750 HydrophobicContact CB-CB 3.96Å
674	S	95.3	Very high	90.5	Very high	10 Å²	10	33.2 Å²	33.2	7%	0.07	20%	0.199	C	C	.	.			trans	-65.7	140.1	-175.4	56.1	0	0	0	0	112.2	K639 R641 G664 S746	K639-S674 PolarHBondContact NZ-OG 2.88Å; R641-S674 VanDerWaalsContact CZ-O 3.29Å; R641-S674 PolarHBondContact NH1-O 3.1Å; R641-S674 PolarHBondContact NH2-O 3.08Å; R641-S674 PolarHBondContact NH2-OG 3.33Å; G664-S674 PolarHBondContact N-O 3.31Å; S674-S746 WeakPolarHBondContact CA-OG 3.41Å
675	V	95.3	Very high	90.2	Very high	0 Å²	0	36 Å²	36	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	131.2	177.7	-177.7	0	0	0	0	108.8	Y661 A662 C663 T743 I744 L747 W800	Y661-V675 HydrophobicContact CD1-CG1 4.42Å; A662-V675 WeakPolarHBondContact O-CA 3.39Å; C663-V675 HydrophobicContact CB-CG1 4.42Å; C663-V675 HydrophobicContact CB-CG2 4.33Å; C663-V675 VanDerWaalsContact SG-CG1 3.56Å; V675-T743 WeakPolarHBondContact O-CA 3.4Å; V675-I744 HydrophobicContact CB-CD1 4.18Å; V675-I744 HydrophobicContact CB-CG1 3.84Å; V675-I744 HydrophobicContact CG1-CD1 3.82Å; V675-I744 HydrophobicContact CG1-CG1 3.94Å; V675-I744 PolarHBondContact O-N 2.82Å; V675-L747 HydrophobicContact CG2-CD1 4.26Å; V675-L747 HydrophobicContact CG2-CG 4.09Å; V675-W800 HydrophobicContact CG2-CZ2 3.86Å
676	D	94.4	Very high	90	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	139.7	176.2	-60.2	-30.1	0	0	0	110	T638 R641 Y661 A662 W741 Q742 T743	T638-D676 PolarHBondContact OG1-OD1 2.73Å; T638-D676 PolarHBondContact OG1-OD2 3.42Å; R641-D676 IonicContact CZ-OD2 3.96Å; R641-D676 VanDerWaalsContact CZ-OD2 3.27Å; R641-D676 IonicContact NE-OD2 2.75Å; R641-D676 PolarHBondContact NE-OD2 3.31Å; R641-D676 IonicContact NH2-OD1 3.93Å; R641-D676 PolarHBondContact NH2-OD1 2.79Å; R641-D676 IonicContact NH2-OD2 3.55Å; R641-D676 PolarHBondContact NH2-OD2 2.83Å; Y661-D676 CarbonylContact C-O 3.59Å; Y661-D676 WeakPolarHBondContact CA-O 3.48Å; A662-D676 HydrophobicContact CB-CB 4.48Å; A662-D676 PolarHBondContact N-O 3.01Å; A662-D676 PolarHBondContact O-N 3.36Å; A662-D676 VanDerWaalsContact O-N 3.1Å; D676-W741 HydrophobicContact CB-CB 4.27Å; D676-W741 HydrophobicContact CB-CD2 4.4Å; D676-W741 HydrophobicContact CB-CE3 3.73Å; D676-W741 HydrophobicContact CB-CZ3 4.49Å; D676-Q742 CarbonylContact C-O 3.59Å; D676-T743 WeakPolarHBondContact OD1-CB 3.29Å; D676-T743 PolarHBondContact OD1-OG1 3.32Å
677	K	92.8	Very high	89.9	Confident	43 Å²	43	37.5 Å²	37.5	19%	0.187	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	135.9	-177	-176.8	-170.4	177.6	-174.2	0	110.1	I659 I660 Y661 W741 Q742 I744	I659-K677 HydrophobicContact CG2-CD 4.21Å; I659-K677 HydrophobicContact CG2-CG 3.58Å; I660-K677 CarbonylContact O-C 3.57Å; I660-K677 WeakPolarHBondContact O-CA 3.48Å; Y661-K677 HydrophobicContact CD1-CB 4.28Å; Y661-K677 HydrophobicContact CD1-CG 4.21Å; Y661-K677 HydrophobicContact CE1-CB 4.41Å; Y661-K677 HydrophobicContact CE1-CD 4.19Å; Y661-K677 HydrophobicContact CE1-CG 4Å; K677-W741 CarbonylContact O-C 3.54Å; K677-W741 WeakPolarHBondContact O-CA 3.4Å; K677-Q742 HydrophobicContact CB-CB 4.49Å; K677-Q742 WeakPolarHBondContact CB-O 3.02Å; K677-Q742 PolarHBondContact N-O 3.19Å; K677-Q742 PolarHBondContact O-N 2.87Å; K677-I744 HydrophobicContact CB-CG2 3.89Å; K677-I744 HydrophobicContact CD-CG2 4.09Å
678	L	92.7	Very high	89.7	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	125.5	169.3	-179.4	69	0	0	0	108.7	L583 P635 I659 I660 A682 F740 W741	L583-L678 HydrophobicContact CD2-CD2 4.22Å; L583-L678 HydrophobicContact CD2-CG 4.35Å; P635-L678 HydrophobicContact CG-CD1 4.24Å; P635-L678 HydrophobicContact CG-CD2 4.17Å; I659-L678 WeakPolarHBondContact CA-O 3.29Å; I660-L678 PolarHBondContact N-O 2.99Å; I660-L678 PolarHBondContact O-N 3.3Å; L678-A682 HydrophobicContact CD1-CB 3.96Å; L678-F740 HydrophobicContact CD1-CB 4.48Å; L678-W741 HydrophobicContact CB-CD2 4.01Å; L678-W741 HydrophobicContact CB-CE3 3.72Å; L678-W741 HydrophobicContact CB-CH2 3.74Å; L678-W741 HydrophobicContact CB-CZ2 4.04Å; L678-W741 HydrophobicContact CB-CZ3 3.58Å; L678-W741 HydrophobicContact CD2-CH2 4.21Å; L678-W741 HydrophobicContact CD2-CZ2 3.89Å
679	T	90.4	Very high	89.6	Confident	21 Å²	21	43 Å²	43	13%	0.129	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	158	171.7	62.2	0	0	0	0	110.6	P657 I659 E681 A682 L683	P657-T679 HydrophobicContact CG-CG2 4.26Å; I659-T679 HydrophobicContact CG1-CG2 4.15Å; T679-E681 PolarHBondContact O-N 3.28Å; T679-A682 PolarHBondContact O-N 2.98Å; T679-A682 WeakPolarHBondContact OG1-CB 3.44Å; T679-A682 PolarHBondContact OG1-N 3.19Å; T679-A682 VanDerWaalsContact OG1-N 3.09Å; T679-L683 PolarHBondContact O-N 3.16Å
680	C	87.9	Confident	89.3	Confident	20 Å²	20	42.1 Å²	42.1	14%	0.135	22%	0.22	C	C	.	.	H	α-helix	trans	-60.1	-32.1	171.9	70.7	0	0	0	0	113.1	L583 S584 C585 P657 D658 L683 G684	L583-C680 HydrophobicContact CD1-CB 3.72Å; S584-C680 WeakPolarHBondContact O-CB 3.32Å; C585-C680 HydrophobicContact CB-CB 4.15Å; C585-C680 PolarHBondContact SG-O 2.95Å; P657-C680 WeakPolarHBondContact CB-SG 3.46Å; D658-C680 HydrophobicContact CB-CB 4.38Å; D658-C680 PolarHBondContact O-N 2.91Å; C680-L683 PolarHBondContact O-N 2.88Å; C680-G684 PolarHBondContact O-N 3.44Å
681	E	87.3	Confident	87.8	Confident	132 Å²	132	40.5 Å²	40.5	62%	0.617	21%	0.214	S	C	*	.	H	α-helix	trans	-64.9	-42.4	174.4	-56.4	178.8	135.5	0	0	112.3	T679 G684 S685	T679-E681 PolarHBondContact O-N 3.28Å; E681-G684 PolarHBondContact O-N 2.89Å; E681-S685 WeakPolarHBondContact O-CB 3.33Å; E681-S685 PolarHBondContact O-N 2.66Å; E681-S685 PolarHBondContact O-OG 2.98Å
682	A	89.9	Confident	85.2	Confident	19 Å²	19	44.6 Å²	44.6	16%	0.157	24%	0.24	C	C	.	.	H	α-helix	trans	-66.9	-38.6	176.3	0	0	0	0	0	111	L678 T679 W686 F740	L678-A682 HydrophobicContact CD1-CB 3.96Å; T679-A682 PolarHBondContact O-N 2.98Å; T679-A682 WeakPolarHBondContact OG1-CB 3.44Å; T679-A682 PolarHBondContact OG1-N 3.19Å; T679-A682 VanDerWaalsContact OG1-N 3.09Å; A682-W686 WeakPolarHBondContact O-CB 3.38Å; A682-W686 PolarHBondContact O-N 2.82Å; A682-F740 VanDerWaalsContact O-CD1 3.3Å; A682-F740 WeakPolarHBondContact O-CD1 3.5Å
683	L	89.8	Confident	82.3	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-66.1	-44.5	172.5	-174.2	65.1	0	0	0	111.9	L583 Y590 L608 P635 T679 C680 S685 W686 L687	L583-L683 HydrophobicContact CD1-CB 4.33Å; L583-L683 HydrophobicContact CD1-CD2 3.6Å; L583-L683 HydrophobicContact CD2-CB 4.27Å; L583-L683 HydrophobicContact CD2-CD2 4.15Å; L583-L683 HydrophobicContact CG-CD2 4.14Å; Y590-L683 HydrophobicContact CD1-CD2 4.32Å; Y590-L683 HydrophobicContact CD2-CD2 4.27Å; Y590-L683 HydrophobicContact CG-CD2 4.02Å; L608-L683 HydrophobicContact CD1-CD1 3.8Å; L608-L683 HydrophobicContact CD1-CD2 4.43Å; L608-L683 HydrophobicContact CD2-CD1 4.5Å; P635-L683 HydrophobicContact CG-CD1 3.94Å; T679-L683 PolarHBondContact O-N 3.16Å; C680-L683 PolarHBondContact O-N 2.88Å; L683-S685 VanDerWaalsContact C-N 3.3Å; L683-S685 PolarHBondContact O-N 3.01Å; L683-W686 HydrophobicContact CD1-CE3 4.26Å; L683-W686 WeakPolarHBondContact O-CB 3.17Å; L683-W686 PolarHBondContact O-N 3.11Å; L683-W686 VanDerWaalsContact O-N 3.08Å; L683-L687 HydrophobicContact CD1-CG 4.38Å; L683-L687 HydrophobicContact CD2-CD1 4.34Å; L683-L687 HydrophobicContact CG-CD1 3.93Å; L683-L687 HydrophobicContact CG-CG 4.25Å; L683-L687 VanDerWaalsContact O-CG 3.32Å; L683-L687 WeakPolarHBondContact O-CG 3.43Å; L683-L687 PolarHBondContact O-N 2.85Å
684	G	87.2	Confident	79.1	Confident	4 Å²	4	53.9 Å²	53.9	4%	0.041	30%	0.295	C	S	.	.	H	α-helix	trans	-59.2	-43.2	177	0	0	0	0	0	112.1	C585 C680 E681 W686 L687 I688	C585-G684 WeakPolarHBondContact SG-CA 3.44Å; C680-G684 PolarHBondContact O-N 3.44Å; E681-G684 PolarHBondContact O-N 2.89Å; G684-W686 VanDerWaalsContact C-N 3.34Å; G684-W686 PolarHBondContact O-N 2.74Å; G684-L687 PolarHBondContact O-N 3.1Å; G684-I688 WeakPolarHBondContact O-CD1 3.2Å; G684-I688 VanDerWaalsContact O-CG1 3.3Å; G684-I688 WeakPolarHBondContact O-CG1 3.43Å; G684-I688 PolarHBondContact O-N 2.83Å
685	S	87.3	Confident	75.9	Confident	59 Å²	59	62.6 Å²	62.6	41%	0.413	33%	0.332	S	S	.	.	H	α-helix	trans	-63.2	-38.3	173.4	-57.7	0	0	0	0	112.2	E681 L683 N689	E681-S685 WeakPolarHBondContact O-CB 3.33Å; E681-S685 PolarHBondContact O-N 2.66Å; E681-S685 PolarHBondContact O-OG 2.98Å; L683-S685 VanDerWaalsContact C-N 3.3Å; L683-S685 PolarHBondContact O-N 3.01Å; S685-N689 PolarHBondContact O-N 2.85Å; S685-N689 PolarHBondContact O-ND2 2.91Å
686	W	89.2	Confident	72.5	Confident	28 Å²	28	67.3 Å²	67.3	11%	0.106	37%	0.365	C	S	.	.	H	α-helix	trans	-64.7	-49.9	174.4	-175.6	80.4	0	0	0	111.3	L608 I633 P635 A682 L683 G684 I688 N689 H690 F740	L608-W686 HydrophobicContact CD1-CZ3 4.34Å; I633-W686 WeakPolarHBondContact O-CH2 3.25Å; I633-W686 VanDerWaalsContact O-CZ3 3.23Å; I633-W686 WeakPolarHBondContact O-CZ3 3.27Å; P635-W686 HydrophobicContact CB-CD2 4.13Å; P635-W686 HydrophobicContact CB-CG 3.9Å; P635-W686 HydrophobicContact CG-CD2 4.36Å; P635-W686 HydrophobicContact CG-CG 4.3Å; A682-W686 WeakPolarHBondContact O-CB 3.38Å; A682-W686 PolarHBondContact O-N 2.82Å; L683-W686 HydrophobicContact CD1-CE3 4.26Å; L683-W686 WeakPolarHBondContact O-CB 3.17Å; L683-W686 PolarHBondContact O-N 3.11Å; L683-W686 VanDerWaalsContact O-N 3.08Å; G684-W686 VanDerWaalsContact C-N 3.34Å; G684-W686 PolarHBondContact O-N 2.74Å; W686-I688 PolarHBondContact O-N 3.29Å; W686-N689 PolarHBondContact O-N 2.82Å; W686-H690 AromaticContact CD1-CE1 3.41Å; W686-H690 VanDerWaalsContact CD1-CE1 3.41Å; W686-H690 AromaticContact CD1-ND1 3.7Å; W686-H690 AromaticContact CD2-ND1 3.88Å; W686-H690 AromaticContact CE2-CD2 3.91Å; W686-H690 AromaticContact CE2-CE1 3.61Å; W686-H690 AromaticContact CE2-CG 3.79Å; W686-H690 AromaticContact CE2-ND1 3.58Å; W686-H690 AromaticContact CE2-NE2 3.79Å; W686-H690 AromaticContact CG-ND1 3.95Å; W686-H690 HydrophobicContact CH2-CB 4.33Å; W686-H690 HydrophobicContact CZ2-CB 4.34Å; W686-H690 AromaticContact CZ2-CD2 3.69Å; W686-H690 AromaticContact CZ2-CG 3.78Å; W686-H690 AromaticContact CZ2-NE2 3.94Å; W686-H690 AromaticContact NE1-CE1 3.07Å; W686-H690 PolarHBondContact NE1-CE1 2.98Å; W686-H690 AromaticContact NE1-ND1 3.49Å; W686-H690 PolarHBondContact NE1-ND1 2.98Å; W686-H690 AromaticContact NE1-NE2 3.39Å; W686-H690 PolarHBondContact NE1-NE2 2.86Å; W686-H690 PolarHBondContact O-N 2.96Å; W686-H690 PolarHBondContact O-ND1 3.28Å; W686-F740 HydrophobicContact CB-CD1 3.81Å; W686-F740 HydrophobicContact CB-CD2 4.41Å; W686-F740 HydrophobicContact CB-CE1 3.96Å; W686-F740 HydrophobicContact CB-CG 4.04Å; W686-F740 HydrophobicContact CB-CZ 4.35Å; W686-F740 AromaticContact CD1-CD2 3.53Å; W686-F740 AromaticContact CD1-CE2 3.6Å; W686-F740 AromaticContact CD1-CG 3.98Å; W686-F740 HydrophobicContact CG-CD2 4.35Å; W686-F740 HydrophobicContact CG-CG 4.39Å
687	L	86.6	Confident	69.4	Low	9 Å²	9	75.9 Å²	75.9	5%	0.047	40%	0.404	C	S	.	.	H	α-helix	trans	-57.5	-49.7	-178.6	-71.8	165.6	0	0	0	111.9	Y590 L608 I632 L683 G684 N689 H690 E691	Y590-L687 HydrophobicContact CE1-CD1 3.91Å; Y590-L687 HydrophobicContact CE2-CD1 4.2Å; Y590-L687 WeakPolarHBondContact OH-CD1 3.43Å; L608-L687 HydrophobicContact CD1-CD2 4.5Å; I632-L687 HydrophobicContact CD1-CD2 4.03Å; L683-L687 HydrophobicContact CD1-CG 4.38Å; L683-L687 HydrophobicContact CD2-CD1 4.34Å; L683-L687 HydrophobicContact CG-CD1 3.93Å; L683-L687 HydrophobicContact CG-CG 4.25Å; L683-L687 VanDerWaalsContact O-CG 3.32Å; L683-L687 WeakPolarHBondContact O-CG 3.43Å; L683-L687 PolarHBondContact O-N 2.85Å; G684-L687 PolarHBondContact O-N 3.1Å; L687-N689 PolarHBondContact O-N 3.23Å; L687-H690 CarbonylContact O-C 3.59Å; L687-H690 PolarHBondContact O-N 3.46Å; L687-E691 PolarHBondContact O-N 2.86Å
688	I	84.1	Confident	66.2	Low	106 Å²	106	82.6 Å²	82.6	54%	0.544	44%	0.436	S	S	.	.	H	α-helix	trans	-56.4	-40.1	178.7	-69.1	164.4	0	0	0	111.5	G684 W686 H690	G684-I688 WeakPolarHBondContact O-CD1 3.2Å; G684-I688 VanDerWaalsContact O-CG1 3.3Å; G684-I688 WeakPolarHBondContact O-CG1 3.43Å; G684-I688 PolarHBondContact O-N 2.83Å; W686-I688 PolarHBondContact O-N 3.29Å; I688-H690 VanDerWaalsContact C-N 3.28Å; I688-H690 PolarHBondContact O-N 3.04Å
689	N	79.7	Confident	63.3	Low	112 Å²	112	88.8 Å²	88.8	60%	0.599	47%	0.469	S	S	*	.	H	α-helix	trans	-74.7	-12.2	179.1	-75.5	-60.9	0	0	0	114.1	S685 W686 L687	S685-N689 PolarHBondContact O-N 2.85Å; S685-N689 PolarHBondContact O-ND2 2.91Å; W686-N689 PolarHBondContact O-N 2.82Å; L687-N689 PolarHBondContact O-N 3.23Å
690	H	74.7	Confident	60.3	Low	95 Å²	95	93.9 Å²	93.9	44%	0.44	50%	0.496	S	S	.	.	H	α-helix	trans	-116.6	-17.5	-177.1	-65.8	73.4	0	0	0	114.1	W686 L687 I688 V692	W686-H690 AromaticContact CD1-CE1 3.41Å; W686-H690 VanDerWaalsContact CD1-CE1 3.41Å; W686-H690 AromaticContact CD1-ND1 3.7Å; W686-H690 AromaticContact CD2-ND1 3.88Å; W686-H690 AromaticContact CE2-CD2 3.91Å; W686-H690 AromaticContact CE2-CE1 3.61Å; W686-H690 AromaticContact CE2-CG 3.79Å; W686-H690 AromaticContact CE2-ND1 3.58Å; W686-H690 AromaticContact CE2-NE2 3.79Å; W686-H690 AromaticContact CG-ND1 3.95Å; W686-H690 HydrophobicContact CH2-CB 4.33Å; W686-H690 HydrophobicContact CZ2-CB 4.34Å; W686-H690 AromaticContact CZ2-CD2 3.69Å; W686-H690 AromaticContact CZ2-CG 3.78Å; W686-H690 AromaticContact CZ2-NE2 3.94Å; W686-H690 AromaticContact NE1-CE1 3.07Å; W686-H690 PolarHBondContact NE1-CE1 2.98Å; W686-H690 AromaticContact NE1-ND1 3.49Å; W686-H690 PolarHBondContact NE1-ND1 2.98Å; W686-H690 AromaticContact NE1-NE2 3.39Å; W686-H690 PolarHBondContact NE1-NE2 2.86Å; W686-H690 PolarHBondContact O-N 2.96Å; W686-H690 PolarHBondContact O-ND1 3.28Å; L687-H690 CarbonylContact O-C 3.59Å; L687-H690 PolarHBondContact O-N 3.46Å; I688-H690 VanDerWaalsContact C-N 3.28Å; I688-H690 PolarHBondContact O-N 3.04Å; H690-V692 PolarHBondContact O-N 3.4Å
691	E	58.5	Low	57.5	Low	114 Å²	114	99.6 Å²	99.6	53%	0.533	52%	0.524	S	S	.	.	G	3₁₀ helix	trans	-69.5	-6.8	176.4	-81	-166.1	140.9	0	0	114.4	L687 V693	L687-E691 PolarHBondContact O-N 2.86Å; E691-V693 PolarHBondContact O-N 3.23Å; E691-V693 VanDerWaalsContact O-N 3.07Å
692	V	36.4	Very low	54.6	Low	123 Å²	123	100.2 Å²	100.2	75%	0.745	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-66.1	-10.3	-177.6	-176.9	0	0	0	0	113.5	H690	H690-V692 PolarHBondContact O-N 3.4Å
693	V	33.4	Very low	51.6	Low	118 Å²	118	105.6 Å²	105.6	72%	0.715	56%	0.558	S	S	*	*	G	3₁₀ helix	trans	-93.5	-9.6	-170.4	-174.8	0	0	0	0	114.2	E691	E691-V693 PolarHBondContact O-N 3.23Å; E691-V693 VanDerWaalsContact O-N 3.07Å
694	T	28.6	Very low	48.8	Very low	116 Å²	116	114 Å²	114	71%	0.712	60%	0.597	S	S	*	*	S	Bend	trans	-118.5	11	-167.1	55.3	0	0	0	0	116.5
695	K	26.9	Very low	46	Very low	194 Å²	194	118.7 Å²	118.7	84%	0.843	63%	0.625	S	S	*	*	S	Bend	trans	-132	52	-177.2	-74.4	-174.2	177.4	170.8	0	115.8
696	S	25.3	Very low	43	Very low	99 Å²	99	125.4 Å²	125.4	69%	0.692	64%	0.642	S	S	*	*			trans	-156.2	99.6	158.2	58.5	0	0	0	0	111.8
697	H	27.8	Very low	40.1	Very low	179 Å²	179	130 Å²	130	83%	0.829	67%	0.674	S	S	*	*			trans	162.8	83	144.6	-88.2	-62	0	0	0	109.6	D699	H697-D699 PolarHBondContact O-N 2.98Å
698	H	26.6	Very low	37.2	Very low	184 Å²	184	137.9 Å²	137.9	85%	0.852	72%	0.716	S	S	*	*			trans	-65.5	117.2	136.3	-83.8	-77.3	0	0	0	105.9
699	D	31.7	Very low	34.3	Very low	131 Å²	131	136 Å²	136	70%	0.701	72%	0.722	S	S	*	*			trans	178.2	122.7	138.5	-94.9	-22.5	0	0	0	111.9	H697	H697-D699 PolarHBondContact O-N 2.98Å
700	N	28.4	Very low	31.8	Very low	129 Å²	129	136.9 Å²	136.9	69%	0.69	74%	0.737	S	S	*	*			trans	61.2	117.7	148.2	-58.1	-55.2	0	0	0	122.3
701	L	27.9	Very low	29.6	Very low	139 Å²	139	143.9 Å²	143.9	73%	0.728	76%	0.76	S	S	*	*			trans	65.6	114.6	139.7	-86.3	68	0	0	0	120.9
702	D	26.3	Very low	28.2	Very low	145 Å²	145	146.5 Å²	146.5	78%	0.775	77%	0.769	S	S	*	*			trans	64	158.8	134.9	-58.1	-31.7	0	0	0	120.9
703	D	27.9	Very low	28	Very low	133 Å²	133	143.7 Å²	143.7	71%	0.711	76%	0.755	S	S	*	*			trans	51.1	94.2	-179.9	-81.8	-23.5	0	0	0	117.3
704	H	30.3	Very low	28	Very low	176 Å²	176	141.1 Å²	141.1	82%	0.815	74%	0.742	S	S	*	*				-172.4	93.1	99.2	-85.6	-29.5	0	0	0	114.4
705	V	28.5	Very low	28.2	Very low	104 Å²	104	140.7 Å²	140.7	63%	0.63	74%	0.736	S	S	*	*			trans	35.3	105.3	135.5	-174.7	0	0	0	0	118.3	T707	V705-T707 HydrophobicContact CG1-CG2 3.98Å; V705-T707 PolarHBondContact O-N 2.65Å
706	Y	25.1	Very low	28.5	Very low	200 Å²	200	138.1 Å²	138.1	78%	0.784	73%	0.725	S	S	*	*			trans	-50.6	120.8	152.5	-81.7	-104.5	0	0	0	110.7
707	T	27.6	Very low	28.8	Very low	124 Å²	124	141.3 Å²	141.3	76%	0.761	72%	0.722	S	S	*	*			trans	-139.7	124.5	162.9	27.1	0	0	0	0	112.2	V705	V705-T707 HydrophobicContact CG1-CG2 3.98Å; V705-T707 PolarHBondContact O-N 2.65Å
708	N	25.1	Very low	29	Very low	175 Å²	175	138.8 Å²	138.8	94%	0.936	71%	0.713	S	S	*	*			trans	-66.2	146	173.4	-85.3	-43	0	0	0	112.3
709	G	24.6	Very low	29.1	Very low	65 Å²	65	138.7 Å²	138.7	67%	0.67	71%	0.705	S	S	*	*	S	Bend	trans	99.5	138.1	145.4	0	0	0	0	0	118.3
710	S	26.8	Very low	29.2	Very low	132 Å²	132	134.9 Å²	134.9	92%	0.923	69%	0.687	S	S	*	*			trans	52	65.4	149	-153.9	0	0	0	0	117.2
711	R	28	Very low	29.4	Very low	241 Å²	241	134 Å²	134	91%	0.909	68%	0.682	S	S	*	*			trans	-116.2	148.8	159.1	-70.7	-165.2	175	-165.9	0.7	111.9
712	K	28.5	Very low	29.6	Very low	169 Å²	169	129.9 Å²	129.9	74%	0.735	67%	0.665	S	S	*	*			trans	-82.1	137.4	-157.9	-65.4	172.5	-177.2	171.6	0	111.3	S714 D715	K712-S714 WeakPolarHBondContact CB-OG 3.4Å; K712-S714 PolarHBondContact O-N 3.07Å; K712-D715 PolarHBondContact O-N 3.4Å
713	S	32.9	Very low	30	Very low	64 Å²	64	128.8 Å²	128.8	45%	0.448	66%	0.658	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.9	13.9	178.3	-160.4	0	0	0	0	114.2	K600	K600-S713 WeakPolarHBondContact CE-O 3.23Å; K600-S713 WeakPolarHBondContact CE-OG 3.29Å; K600-S713 PolarHBondContact NZ-O 2.89Å; K600-S713 PolarHBondContact NZ-OG 3.3Å
714	S	34.4	Very low	30.2	Very low	64 Å²	64	126.2 Å²	126.2	45%	0.448	66%	0.655	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.9	-41	172.6	40.3	0	0	0	0	112.7	K712 F716 R717	K712-S714 WeakPolarHBondContact CB-OG 3.4Å; K712-S714 PolarHBondContact O-N 3.07Å; S714-F716 VanDerWaalsContact C-N 3.34Å; S714-F716 PolarHBondContact O-N 3.22Å; S714-R717 PolarHBondContact O-N 3.42Å
715	D	32.6	Very low	30.2	Very low	108 Å²	108	125.1 Å²	125.1	58%	0.578	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-18.6	-156.1	-54.6	-6.8	0	0	0	112.4	K712 R717 I718	K712-D715 PolarHBondContact O-N 3.4Å; D715-R717 PolarHBondContact O-N 3.12Å; D715-I718 PolarHBondContact O-N 2.92Å
716	F	32.4	Very low	30.3	Very low	140 Å²	140	126.4 Å²	126.4	61%	0.614	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	-19	177.7	-131.2	-86.5	0	0	0	113.7	I633 S714 I718 R719	I633-F716 HydrophobicContact CD1-CE1 4.23Å; S714-F716 VanDerWaalsContact C-N 3.34Å; S714-F716 PolarHBondContact O-N 3.22Å; F716-I718 PolarHBondContact O-N 3.27Å; F716-R719 PolarHBondContact O-N 3.12Å
717	R	31.4	Very low	30.5	Very low	165 Å²	165	125.6 Å²	125.6	62%	0.623	66%	0.657	S	S	*	*	H	α-helix	trans	-63.9	-21.6	176.5	-82.7	-175.6	169.1	160.8	-2.2	113.9	S714 D715	S714-R717 PolarHBondContact O-N 3.42Å; D715-R717 PolarHBondContact O-N 3.12Å
718	I	31.6	Very low	30.5	Very low	127 Å²	127	124.5 Å²	124.5	65%	0.651	66%	0.66	S	S	*	*	H	α-helix	trans	-87.1	-29.2	-175.4	-59.8	177	0	0	0	111.5	D715 F716 S722	D715-I718 PolarHBondContact O-N 2.92Å; F716-I718 PolarHBondContact O-N 3.27Å; I718-S722 WeakPolarHBondContact O-CB 3.43Å; I718-S722 PolarHBondContact O-N 3.4Å; I718-S722 PolarHBondContact O-OG 2.8Å
719	R	30.2	Very low	30.9	Very low	181 Å²	181	120.8 Å²	120.8	68%	0.683	65%	0.648	S	S	*	*	H	α-helix	trans	-77.3	-40.8	-172.4	-80.7	-172.7	170.3	-176	-4.1	114.2	F716 D721 S722 I723	F716-R719 PolarHBondContact O-N 3.12Å; R719-D721 VanDerWaalsContact C-N 3.28Å; R719-D721 PolarHBondContact O-N 3.14Å; R719-S722 WeakPolarHBondContact CA-OG 3.27Å; R719-S722 PolarHBondContact O-N 3.2Å; R719-S722 PolarHBondContact O-OG 2.92Å; R719-I723 PolarHBondContact O-N 3.47Å
720	T	33.8	Very low	31.2	Very low	51 Å²	51	122.7 Å²	122.7	31%	0.313	65%	0.651	S	S	.	*	H	α-helix	trans	-60	-40.6	179.2	47.1	0	0	0	0	112.3
721	D	32.5	Very low	31.3	Very low	111 Å²	111	124.5 Å²	124.5	59%	0.594	65%	0.65	S	S	*	*	H	α-helix	trans	-78.4	-31.8	-174.6	-57.5	14.1	0	0	0	110.3	R719 I723 A724	R719-D721 VanDerWaalsContact C-N 3.28Å; R719-D721 PolarHBondContact O-N 3.14Å; D721-I723 PolarHBondContact O-N 3.47Å; D721-A724 PolarHBondContact O-N 3.34Å
722	S	31.9	Very low	31.2	Very low	52 Å²	52	116.6 Å²	116.6	36%	0.364	64%	0.644	S	S	.	*	H	α-helix	trans	-67.8	-28.1	179	71.1	0	0	0	0	114.9	I718 R719 A724 N726	I718-S722 WeakPolarHBondContact O-CB 3.43Å; I718-S722 PolarHBondContact O-N 3.4Å; I718-S722 PolarHBondContact O-OG 2.8Å; R719-S722 WeakPolarHBondContact CA-OG 3.27Å; R719-S722 PolarHBondContact O-N 3.2Å; R719-S722 PolarHBondContact O-OG 2.92Å; S722-A724 VanDerWaalsContact C-N 3.3Å; S722-N726 PolarHBondContact O-ND2 3.15Å
723	I	35.2	Very low	31.3	Very low	122 Å²	122	114 Å²	114	63%	0.626	65%	0.647	S	S	*	*	H	α-helix	trans	-72.7	-28.5	179.4	-66	169.3	0	0	0	110.5	R719 D721 H725	R719-I723 PolarHBondContact O-N 3.47Å; D721-I723 PolarHBondContact O-N 3.47Å; I723-H725 PolarHBondContact O-N 3.15Å
724	A	31.9	Very low	30.9	Very low	80 Å²	80	114.6 Å²	114.6	66%	0.661	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	3.9	-179.7	0	0	0	0	0	114.9	D721 S722	D721-A724 PolarHBondContact O-N 3.34Å; S722-A724 VanDerWaalsContact C-N 3.3Å
725	H	30.2	Very low	30.7	Very low	152 Å²	152	118.8 Å²	118.8	70%	0.704	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.5	-4.3	-171.9	-82	1.8	0	0	0	116.1	I723	I723-H725 PolarHBondContact O-N 3.15Å
726	N	29.2	Very low	30.7	Very low	132 Å²	132	119.1 Å²	119.1	71%	0.706	69%	0.691	S	S	*	*	S	Bend	trans	-101.3	6.2	-172.5	-73.7	-27.1	0	0	0	116.2	S722	S722-N726 PolarHBondContact O-ND2 3.15Å
727	H	30.5	Very low	31.2	Very low	183 Å²	183	117.2 Å²	117.2	85%	0.847	70%	0.695	S	S	*	*			trans	-111.9	51.9	172.8	-75.1	-63.5	0	0	0	112.9	S729	H727-S729 PolarHBondContact O-N 3.41Å
728	A	27	Very low	32.2	Very low	101 Å²	101	113.8 Å²	113.8	84%	0.835	69%	0.692	S	S	*	*			trans	-88.6	68.3	177.5	0	0	0	0	0	112.6
729	S	33.3	Very low	33.8	Very low	96 Å²	96	111.8 Å²	111.8	67%	0.671	69%	0.686	S	S	*	*			trans	-142.5	107.5	173.5	61.5	0	0	0	0	113.2	H727	H727-S729 PolarHBondContact O-N 3.41Å
730	S	31.9	Very low	36.5	Very low	106 Å²	106	105.3 Å²	105.3	74%	0.741	66%	0.663	S	S	*	*	S	Bend	trans	54.1	116.4	166.8	57.3	0	0	0	0	119.3
731	N	28	Very low	39.2	Very low	169 Å²	169	103 Å²	103	90%	0.904	65%	0.648	S	S	*	*			trans	65.5	77.2	149.2	-54.6	-10.2	0	0	0	117.8
732	G	26.8	Very low	42	Very low	76 Å²	76	103.2 Å²	103.2	78%	0.784	65%	0.646	S	S	*	*			trans	-155.4	144.4	163.8	0	0	0	0	0	111.9
733	S	28.6	Very low	44.9	Very low	113 Å²	113	104.1 Å²	104.1	79%	0.79	65%	0.649	S	S	*	*			trans	-72.2	152.1	175.4	49.1	0	0	0	0	112.1
734	G	26.3	Very low	47.6	Very low	77 Å²	77	99.1 Å²	99.1	79%	0.794	62%	0.624	S	S	*	*			trans	-59.4	135.7	-168	0	0	0	0	0	115.8
735	L	29.5	Very low	50.6	Low	153 Å²	153	100.9 Å²	100.9	80%	0.801	61%	0.613	S	S	*	*			trans	-118.4	26.2	-179.9	-88.8	157.6	0	0	0	112.7	S737 V738	L735-S737 PolarHBondContact O-N 3Å; L735-V738 HydrophobicContact CD2-CG2 4.48Å
736	S	32.6	Very low	53.7	Low	114 Å²	114	96.1 Å²	96.1	80%	0.797	60%	0.597	S	S	*	*			trans	-77.8	115.7	177.8	54.4	0	0	0	0	111.8
737	S	42.8	Very low	56.8	Low	101 Å²	101	90.1 Å²	90.1	71%	0.706	57%	0.565	S	S	*	*			trans	67.5	58.4	169.8	-165.4	0	0	0	0	116.9	L735 T739	L735-S737 PolarHBondContact O-N 3Å; S737-T739 PolarHBondContact O-N 3.31Å
738	V	53.1	Low	59.9	Low	92 Å²	92	86.1 Å²	86.1	56%	0.558	55%	0.546	S	S	*	.			trans	-70.6	106.9	158.9	-178.6	0	0	0	0	108.9	L735 F740	L735-V738 HydrophobicContact CD2-CG2 4.48Å; V738-F740 HydrophobicContact CB-CE2 4.03Å; V738-F740 HydrophobicContact CB-CZ 4.46Å; V738-F740 HydrophobicContact CG1-CD2 4.24Å; V738-F740 HydrophobicContact CG1-CE1 4.46Å; V738-F740 HydrophobicContact CG1-CE2 3.71Å; V738-F740 HydrophobicContact CG1-CZ 3.85Å; V738-F740 VanDerWaalsContact O-CD2 3.27Å; V738-F740 WeakPolarHBondContact O-CD2 3.27Å; V738-F740 WeakPolarHBondContact O-CE2 3.14Å
739	T	63.8	Low	62.9	Low	86 Å²	86	84.2 Å²	84.2	53%	0.528	52%	0.52	S	S	.	.			trans	-88.1	113.1	175.9	51.2	0	0	0	0	110.6	S737 W741	S737-T739 PolarHBondContact O-N 3.31Å; T739-W741 VanDerWaalsContact C-N 3.25Å; T739-W741 PolarHBondContact O-N 2.98Å
740	F	86.9	Confident	65.8	Low	44 Å²	44	81.1 Å²	81.1	19%	0.193	50%	0.5	C	S	.	.			trans	-78.6	-11	179.2	-65.4	-99.3	0	0	0	113.2	P635 L678 A682 W686 V738	P635-F740 HydrophobicContact CB-CB 4.24Å; L678-F740 HydrophobicContact CD1-CB 4.48Å; A682-F740 VanDerWaalsContact O-CD1 3.3Å; A682-F740 WeakPolarHBondContact O-CD1 3.5Å; W686-F740 HydrophobicContact CB-CD1 3.81Å; W686-F740 HydrophobicContact CB-CD2 4.41Å; W686-F740 HydrophobicContact CB-CE1 3.96Å; W686-F740 HydrophobicContact CB-CG 4.04Å; W686-F740 HydrophobicContact CB-CZ 4.35Å; W686-F740 AromaticContact CD1-CD2 3.53Å; W686-F740 AromaticContact CD1-CE2 3.6Å; W686-F740 AromaticContact CD1-CG 3.98Å; W686-F740 HydrophobicContact CG-CD2 4.35Å; W686-F740 HydrophobicContact CG-CG 4.39Å; V738-F740 HydrophobicContact CB-CE2 4.03Å; V738-F740 HydrophobicContact CB-CZ 4.46Å; V738-F740 HydrophobicContact CG1-CD2 4.24Å; V738-F740 HydrophobicContact CG1-CE1 4.46Å; V738-F740 HydrophobicContact CG1-CE2 3.71Å; V738-F740 HydrophobicContact CG1-CZ 3.85Å; V738-F740 VanDerWaalsContact O-CD2 3.27Å; V738-F740 WeakPolarHBondContact O-CD2 3.27Å; V738-F740 WeakPolarHBondContact O-CE2 3.14Å
741	W	90.6	Very high	68.8	Low	4 Å²	4	76 Å²	76	2%	0.015	47%	0.465	C	S	.	.	S	Bend	trans	-86.5	121.1	169.1	-73.5	92.4	0	0	0	110.3	I594 V606 P635 L637 T638 I660 A662 D676 K677 L678 T739	I594-W741 HydrophobicContact CD1-CH2 3.87Å; I594-W741 HydrophobicContact CD1-CZ2 4.23Å; I594-W741 HydrophobicContact CG1-CH2 4.32Å; I594-W741 HydrophobicContact CG1-CZ2 4.24Å; I594-W741 HydrophobicContact CG2-CH2 4.28Å; I594-W741 HydrophobicContact CG2-CZ2 4.33Å; V606-W741 HydrophobicContact CG2-CZ2 4.16Å; P635-W741 PolarHBondContact O-NE1 3.19Å; L637-W741 HydrophobicContact CD2-CD2 3.92Å; L637-W741 HydrophobicContact CD2-CE3 4.2Å; L637-W741 HydrophobicContact CD2-CG 4.49Å; L637-W741 HydrophobicContact CD2-CH2 4.18Å; L637-W741 HydrophobicContact CD2-CZ2 3.87Å; L637-W741 HydrophobicContact CD2-CZ3 4.32Å; T638-W741 HydrophobicContact CG2-CB 3.83Å; I660-W741 HydrophobicContact CG2-CH2 4.39Å; A662-W741 HydrophobicContact CB-CH2 4.33Å; A662-W741 HydrophobicContact CB-CZ3 3.93Å; D676-W741 HydrophobicContact CB-CB 4.27Å; D676-W741 HydrophobicContact CB-CD2 4.4Å; D676-W741 HydrophobicContact CB-CE3 3.73Å; D676-W741 HydrophobicContact CB-CZ3 4.49Å; K677-W741 CarbonylContact O-C 3.54Å; K677-W741 WeakPolarHBondContact O-CA 3.4Å; L678-W741 HydrophobicContact CB-CD2 4.01Å; L678-W741 HydrophobicContact CB-CE3 3.72Å; L678-W741 HydrophobicContact CB-CH2 3.74Å; L678-W741 HydrophobicContact CB-CZ2 4.04Å; L678-W741 HydrophobicContact CB-CZ3 3.58Å; L678-W741 HydrophobicContact CD2-CH2 4.21Å; L678-W741 HydrophobicContact CD2-CZ2 3.89Å; T739-W741 VanDerWaalsContact C-N 3.25Å; T739-W741 PolarHBondContact O-N 2.98Å
742	Q	91.3	Very high	72	Confident	114 Å²	114	68.4 Å²	68.4	53%	0.533	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	117.1	174.7	179.9	-174.6	12.6	0	0	109.8	D676 K677 I744	D676-Q742 CarbonylContact C-O 3.59Å; K677-Q742 HydrophobicContact CB-CB 4.49Å; K677-Q742 WeakPolarHBondContact CB-O 3.02Å; K677-Q742 PolarHBondContact N-O 3.19Å; K677-Q742 PolarHBondContact O-N 2.87Å; Q742-I744 PolarHBondContact O-N 3.4Å
743	T	92.5	Very high	75.1	Confident	71 Å²	71	65.6 Å²	65.6	44%	0.436	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	128.3	169	-56.1	0	0	0	0	110	V675 D676	V675-T743 WeakPolarHBondContact O-CA 3.4Å; D676-T743 WeakPolarHBondContact OD1-CB 3.29Å; D676-T743 PolarHBondContact OD1-OG1 3.32Å
744	I	92.2	Very high	78.3	Confident	18 Å²	18	60.7 Å²	60.7	9%	0.092	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	-171.5	177.5	63	170.8	0	0	0	110.5	Y661 V675 K677 Q742 S746 Y793	Y661-I744 HydrophobicContact CD1-CD1 3.73Å; Y661-I744 HydrophobicContact CE1-CD1 3.71Å; V675-I744 HydrophobicContact CB-CD1 4.18Å; V675-I744 HydrophobicContact CB-CG1 3.84Å; V675-I744 HydrophobicContact CG1-CD1 3.82Å; V675-I744 HydrophobicContact CG1-CG1 3.94Å; V675-I744 PolarHBondContact O-N 2.82Å; K677-I744 HydrophobicContact CB-CG2 3.89Å; K677-I744 HydrophobicContact CD-CG2 4.09Å; Q742-I744 PolarHBondContact O-N 3.4Å; I744-S746 PolarHBondContact O-N 3.26Å; I744-Y793 HydrophobicContact CD1-CD2 4.46Å; I744-Y793 HydrophobicContact CD1-CE1 4.26Å; I744-Y793 HydrophobicContact CD1-CE2 3.93Å
745	R	94.6	Very high	81.5	Confident	117 Å²	117	57.9 Å²	57.9	44%	0.442	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-55	133.8	174.3	-168.9	173.2	-55.6	-141.9	16	111.4	D798 W800	R745-D798 WeakPolarHBondContact CB-O 3.49Å; R745-D798 VanDerWaalsContact CB-OD1 3.31Å; R745-D798 WeakPolarHBondContact CB-OD1 3.48Å; R745-D798 WeakPolarHBondContact CD-O 3.4Å; R745-D798 VanDerWaalsContact CZ-O 3.3Å; R745-D798 PolarHBondContact N-OD1 3.23Å; R745-D798 PolarHBondContact NE-O 3.42Å; R745-D798 PolarHBondContact NH2-O 3.33Å; R745-W800 PolarHBondContact O-NE1 3.17Å
746	S	96	Very high	84.6	Confident	52 Å²	52	51.4 Å²	51.4	36%	0.364	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-71.6	149.7	175.2	-60.1	0	0	0	0	111.2	A673 S674 I744 W800	A673-S746 CarbonylContact O-C 3.5Å; A673-S746 WeakPolarHBondContact O-CA 3.42Å; A673-S746 WeakPolarHBondContact O-CB 3.33Å; S674-S746 WeakPolarHBondContact CA-OG 3.41Å; I744-S746 PolarHBondContact O-N 3.26Å; S746-W800 VanDerWaalsContact O-CD1 3.25Å
747	L	95.2	Very high	87.4	Confident	6 Å²	6	46.4 Å²	46.4	3%	0.031	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-50.4	152.2	163.9	-68.8	157.6	0	0	0	110.4	A673 V675 E749 R751 V777 E791 W800	A673-L747 HydrophobicContact CB-CB 4.36Å; A673-L747 WeakPolarHBondContact CB-O 3.23Å; A673-L747 PolarHBondContact O-N 2.94Å; V675-L747 HydrophobicContact CG2-CD1 4.26Å; V675-L747 HydrophobicContact CG2-CG 4.09Å; L747-E749 VanDerWaalsContact C-N 3.34Å; L747-R751 HydrophobicContact CD1-CG 4.06Å; L747-V777 HydrophobicContact CD1-CG1 4.34Å; L747-V777 HydrophobicContact CD2-CB 4.03Å; L747-V777 HydrophobicContact CD2-CG1 4.17Å; L747-V777 HydrophobicContact CD2-CG2 4.29Å; L747-E791 HydrophobicContact CD2-CB 4.1Å; L747-W800 HydrophobicContact CD2-CD2 3.83Å; L747-W800 HydrophobicContact CD2-CE3 3.64Å; L747-W800 HydrophobicContact CD2-CH2 3.71Å; L747-W800 HydrophobicContact CD2-CZ2 3.9Å; L747-W800 HydrophobicContact CD2-CZ3 3.57Å; L747-W800 HydrophobicContact CG-CH2 4.46Å; L747-W800 HydrophobicContact CG-CZ2 4.25Å
748	H	94.1	Very high	89.6	Confident	98 Å²	98	42.9 Å²	42.9	45%	0.454	23%	0.232	S	C	.	.	S	Bend	trans	-65.9	-39.6	172.8	-59.3	112.3	0	0	0	111.4	E791 W800 Y802	H748-E791 WeakPolarHBondContact CB-OE2 3.47Å; H748-E791 IonicContact CE1-OE2 2.73Å; H748-E791 IonicContact CG-OE2 3.58Å; H748-E791 PolarHBondContact N-OE1 3.33Å; H748-E791 PolarHBondContact N-OE2 3.15Å; H748-E791 IonicContact ND1-OE2 3.51Å; H748-E791 PolarHBondContact ND1-OE2 3.37Å; H748-W800 PolarHBondContact CE1-O 2.85Å; H748-W800 VanDerWaalsContact CE1-O 3.23Å; H748-Y802 HydrophobicContact CB-CE1 4.5Å; H748-Y802 HydrophobicContact CB-CE2 4.36Å; H748-Y802 WeakPolarHBondContact CB-OH 3.44Å; H748-Y802 AromaticContact CG-CZ 3.94Å; H748-Y802 AromaticContact ND1-CE2 3.76Å; H748-Y802 AromaticContact ND1-CZ 3.8Å
749	E	91.5	Very high	91.2	Very high	61 Å²	61	38.6 Å²	38.6	29%	0.285	21%	0.206	S	C	.	.	S	Bend	trans	-111.2	125.7	179.9	-58	-174.7	131	0	0	111.7	L747 R751 S789 E791	L747-E749 VanDerWaalsContact C-N 3.34Å; E749-R751 PolarHBondContact O-N 3.07Å; E749-R751 PolarHBondContact O-NE 3.43Å; E749-R751 IonicContact OE2-CZ 3.51Å; E749-R751 IonicContact OE2-NH2 3.52Å; E749-R751 PolarHBondContact OE2-NH2 2.86Å; E749-R751 VanDerWaalsContact OE2-NH2 3.14Å; E749-S789 VanDerWaalsContact OE2-CB 3.24Å; E749-S789 WeakPolarHBondContact OE2-CB 3.35Å; E749-S789 PolarHBondContact OE2-OG 3.47Å; E749-E791 PolarHBondContact N-OE1 3.27Å
750	A	94.5	Very high	91.8	Very high	31 Å²	31	37.4 Å²	37.4	26%	0.256	20%	0.201	S	C	.	.			trans	-69	124.8	172.3	0	0	0	0	0	110.3	A673 S782	A673-A750 HydrophobicContact CB-CB 3.96Å; A750-S782 VanDerWaalsContact O-CB 3.3Å; A750-S782 WeakPolarHBondContact O-CB 3.45Å; A750-S782 PolarHBondContact O-OG 3.41Å
751	R	95	Very high	91.1	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.2	C	C	.	.			trans	-144.9	133.8	-167.1	56.8	-179.6	76.3	-140.8	10	114.3	G665 L672 L747 E749 P754 G779 V781 L787 S789 E791	G665-R751 PolarHBondContact N-O 3.26Å; L672-R751 PolarHBondContact O-N 2.84Å; L672-R751 VanDerWaalsContact O-N 3.14Å; L747-R751 HydrophobicContact CD1-CG 4.06Å; E749-R751 PolarHBondContact O-N 3.07Å; E749-R751 PolarHBondContact O-NE 3.43Å; E749-R751 IonicContact OE2-CZ 3.51Å; E749-R751 IonicContact OE2-NH2 3.52Å; E749-R751 PolarHBondContact OE2-NH2 2.86Å; E749-R751 VanDerWaalsContact OE2-NH2 3.14Å; R751-P754 HydrophobicContact CG-CB 4.01Å; R751-P754 HydrophobicContact CG-CG 4.21Å; R751-G779 WeakPolarHBondContact CD-O 3.42Å; R751-G779 PolarHBondContact NH1-O 3.23Å; R751-V781 CarbonylContact C-O 3.59Å; R751-V781 VanDerWaalsContact CA-O 3.27Å; R751-V781 WeakPolarHBondContact CA-O 3.5Å; R751-L787 HydrophobicContact CB-CD1 3.81Å; R751-S789 PolarHBondContact NH1-O 2.84Å; R751-S789 VanDerWaalsContact NH1-O 3.14Å; R751-S789 PolarHBondContact NH1-OG 3.09Å; R751-S789 PolarHBondContact NH2-OG 2.87Å; R751-E791 IonicContact CZ-OE1 3.24Å; R751-E791 IonicContact NE-OE1 2.77Å; R751-E791 IonicContact NH2-OE1 2.97Å; R751-E791 PolarHBondContact NH2-OE1 2.8Å
752	T	93.5	Very high	90.4	Very high	8 Å²	8	36.5 Å²	36.5	5%	0.049	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-108.6	148.8	172.9	-177.9	0	0	0	0	111.6	R643 D671 P754 G780 V781	R643-T752 VanDerWaalsContact CB-OG1 3.29Å; R643-T752 WeakPolarHBondContact CB-OG1 3.26Å; R643-T752 WeakPolarHBondContact CD-OG1 3.45Å; D671-T752 WeakPolarHBondContact OD1-CB 3.37Å; D671-T752 WeakPolarHBondContact OD1-CG2 3.39Å; T752-P754 VanDerWaalsContact C-N 3.31Å; T752-G780 CarbonylContact O-C 3.51Å; T752-G780 VanDerWaalsContact O-CA 3.31Å; T752-G780 WeakPolarHBondContact O-CA 3.44Å; T752-V781 HydrophobicContact CG2-CB 3.94Å; T752-V781 PolarHBondContact N-O 2.92Å; T752-V781 PolarHBondContact O-N 3.4Å
753	N	92.9	Very high	89.4	Confident	18 Å²	18	34.5 Å²	34.5	10%	0.096	19%	0.193	C	C	.	.	S	Bend	trans	49.8	38.3	-166.3	-59.6	-51.6	0	0	0	114.9	R643 G780 R811 E812	R643-N753 VanDerWaalsContact CB-OD1 3.24Å; R643-N753 WeakPolarHBondContact CB-OD1 3.4Å; R643-N753 WeakPolarHBondContact CD-OD1 3.2Å; R643-N753 VanDerWaalsContact CG-OD1 3.3Å; R643-N753 WeakPolarHBondContact CG-OD1 3.3Å; R643-N753 WeakPolarHBondContact O-CA 3.34Å; R643-N753 PolarHBondContact O-N 2.93Å; N753-G780 VanDerWaalsContact O-CA 3.31Å; N753-G780 WeakPolarHBondContact O-CA 3.38Å; N753-R811 HydrophobicContact CB-CB 4.43Å; N753-E812 HydrophobicContact CB-CG 3.75Å; N753-E812 VanDerWaalsContact CG-CG 3.49Å; N753-E812 PolarHBondContact ND2-OE1 3.4Å; N753-E812 PolarHBondContact O-N 3.11Å
754	P	95.5	Very high	88.2	Confident	10 Å²	10	33.8 Å²	33.8	7%	0.065	19%	0.185	C	C	.	.			trans	-68.8	161.5	168.9	35.9	-35.8	0	0	0	109.6	R643 A645 R751 T752 V777	R643-P754 WeakPolarHBondContact O-CD 3.09Å; A645-P754 HydrophobicContact CB-CG 4.01Å; R751-P754 HydrophobicContact CG-CB 4.01Å; R751-P754 HydrophobicContact CG-CG 4.21Å; T752-P754 VanDerWaalsContact C-N 3.31Å; P754-V777 HydrophobicContact CB-CG1 3.79Å; P754-V777 HydrophobicContact CG-CG1 4.42Å
755	V	94.6	Very high	86.9	Confident	18 Å²	18	34 Å²	34	11%	0.109	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	146.6	164.2	73.1	0	0	0	0	109.5	V777 A778 A815	V755-V777 CarbonylContact O-C 3.57Å; V755-V777 VanDerWaalsContact O-CA 3.32Å; V755-V777 WeakPolarHBondContact O-CA 3.05Å; V755-A778 HydrophobicContact CG1-CB 3.86Å; V755-A778 PolarHBondContact N-O 3.14Å; V755-A778 PolarHBondContact O-N 3.29Å; V755-A815 HydrophobicContact CB-CB 4.33Å; V755-A815 HydrophobicContact CG1-CB 3.81Å; V755-A815 HydrophobicContact CG2-CB 3.54Å
756	G	93.6	Very high	85.3	Confident	16 Å²	16	32.1 Å²	32.1	17%	0.165	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	148	176	0	0	0	0	0	110.6	L776	G756-L776 CarbonylContact C-O 3.5Å; G756-L776 VanDerWaalsContact CA-O 3.28Å; G756-L776 WeakPolarHBondContact CA-O 3.48Å
757	V	92	Very high	83.9	Confident	9 Å²	9	30.2 Å²	30.2	6%	0.055	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	145.6	178.1	67.9	0	0	0	0	110.7	V647 L759 I775 L776 V817 I824	V647-V757 VanDerWaalsContact CG1-C 3.49Å; V757-L759 HydrophobicContact CG1-CD2 4.44Å; V757-I775 WeakPolarHBondContact O-CA 3.45Å; V757-L776 HydrophobicContact CG1-CB 3.9Å; V757-L776 HydrophobicContact CG1-CD2 3.78Å; V757-L776 HydrophobicContact CG1-CG 4.42Å; V757-L776 PolarHBondContact N-O 2.75Å; V757-L776 PolarHBondContact O-N 3.42Å; V757-V817 HydrophobicContact CG2-CG2 3.98Å; V757-I824 HydrophobicContact CG1-CG2 4.23Å
758	D	88	Confident	82.2	Confident	28 Å²	28	32.3 Å²	32.3	15%	0.15	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	143.9	172.9	174.8	70.8	0	0	0	110.8	V647 S648 S649 S760 V817	V647-D758 HydrophobicContact CG1-CB 3.72Å; V647-D758 VanDerWaalsContact CG1-N 3.34Å; S648-D758 WeakPolarHBondContact O-CB 3.48Å; S649-D758 WeakPolarHBondContact CA-OD1 3.2Å; S649-D758 WeakPolarHBondContact CB-OD1 3.44Å; S649-D758 PolarHBondContact OG-OD1 2.83Å; D758-S760 WeakPolarHBondContact OD2-CB 3.45Å; D758-S760 PolarHBondContact OD2-N 3.33Å; D758-S760 PolarHBondContact OD2-OG 3.03Å; D758-V817 WeakPolarHBondContact O-CG2 3.34Å
759	L	86.8	Confident	80.1	Confident	2 Å²	2	33.7 Å²	33.7	1%	0.01	21%	0.206	C	C	.	.	S	Bend	trans	-102.1	-2	-174.8	-58.7	176.8	0	0	0	114.1	V757 G761 L762 L767 S774 L776 A792 I824	V757-L759 HydrophobicContact CG1-CD2 4.44Å; L759-G761 PolarHBondContact O-N 3.33Å; L759-G761 VanDerWaalsContact O-N 3.15Å; L759-L762 HydrophobicContact CB-CD1 4.26Å; L759-L762 HydrophobicContact CD2-CD1 3.76Å; L759-L762 WeakPolarHBondContact O-CB 3.32Å; L759-L762 PolarHBondContact O-N 2.79Å; L759-L767 HydrophobicContact CD1-CB 4.4Å; L759-L767 HydrophobicContact CD1-CD1 3.8Å; L759-S774 WeakPolarHBondContact CB-O 3.48Å; L759-S774 PolarHBondContact N-O 3.43Å; L759-L776 HydrophobicContact CD1-CB 4.14Å; L759-L776 HydrophobicContact CD2-CB 3.79Å; L759-L776 HydrophobicContact CD2-CD1 4.39Å; L759-L776 HydrophobicContact CG-CB 4.19Å; L759-A792 HydrophobicContact CD1-CB 4.5Å; L759-I824 HydrophobicContact CD2-CD1 4.43Å; L759-I824 HydrophobicContact CD2-CG1 4.47Å
760	S	76.7	Confident	78.1	Confident	60 Å²	60	33.3 Å²	33.3	42%	0.42	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-20.3	-178.3	73.1	0	0	0	0	113.8	D758 L762	D758-S760 WeakPolarHBondContact OD2-CB 3.45Å; D758-S760 PolarHBondContact OD2-N 3.33Å; D758-S760 PolarHBondContact OD2-OG 3.03Å; S760-L762 VanDerWaalsContact C-N 3.3Å
761	G	72.9	Confident	76.1	Confident	16 Å²	16	32.8 Å²	32.8	17%	0.165	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-7.2	173.1	0	0	0	0	0	115	L759 T819	L759-G761 PolarHBondContact O-N 3.33Å; L759-G761 VanDerWaalsContact O-N 3.15Å; G761-T819 WeakPolarHBondContact O-CG2 3.39Å; G761-T819 PolarHBondContact O-OG1 3.12Å
762	L	75	Confident	74.6	Confident	14 Å²	14	35.9 Å²	35.9	7%	0.073	22%	0.22	C	C	.	.			trans	-79.8	144.8	175.7	-63.3	175.2	0	0	0	111	L759 S760 I768 V817 I824 P850	L759-L762 HydrophobicContact CB-CD1 4.26Å; L759-L762 HydrophobicContact CD2-CD1 3.76Å; L759-L762 WeakPolarHBondContact O-CB 3.32Å; L759-L762 PolarHBondContact O-N 2.79Å; S760-L762 VanDerWaalsContact C-N 3.3Å; L762-I768 VanDerWaalsContact C-CD1 3.46Å; L762-I768 HydrophobicContact CB-CD1 3.75Å; L762-I768 HydrophobicContact CB-CG1 4.24Å; L762-V817 HydrophobicContact CD2-CG1 3.75Å; L762-V817 HydrophobicContact CD2-CG2 4.12Å; L762-V817 HydrophobicContact CG-CG1 4.25Å; L762-V817 HydrophobicContact CG-CG2 4.18Å; L762-I824 HydrophobicContact CD1-CD1 4.27Å; L762-I824 HydrophobicContact CD1-CG1 4.26Å; L762-I824 HydrophobicContact CD2-CG1 4.36Å; L762-P850 HydrophobicContact CD1-CB 4.33Å; L762-P850 HydrophobicContact CD1-CG 4.09Å; L762-P850 HydrophobicContact CD2-CG 4.26Å
763	Q	70.3	Confident	73.5	Confident	71 Å²	71	35.5 Å²	35.5	33%	0.332	22%	0.218	S	C	.	.			trans	-113.6	-26.8	-175.7	-61	-174.3	-10.7	0	0	113.6	G537 N822	G537-Q763 PolarHBondContact O-OE1 2.93Å; Q763-N822 PolarHBondContact N-OD1 2.86Å
764	Q	66.5	Low	73.1	Confident	57 Å²	57	34.8 Å²	34.8	27%	0.266	21%	0.214	S	C	.	.	S	Bend	trans	-141.3	134.6	175.3	-53.1	177.5	19.8	0	0	112.1	R533 I768 N822 P850	R533-Q764 PolarHBondContact O-NE2 2.95Å; Q764-I768 VanDerWaalsContact CA-CD1 3.4Å; Q764-N822 PolarHBondContact N-OD1 3.45Å; Q764-N822 PolarHBondContact O-ND2 3.06Å; Q764-N822 PolarHBondContact O-OD1 2.97Å; Q764-P850 VanDerWaalsContact O-CG 3.29Å; Q764-P850 WeakPolarHBondContact O-CG 3.42Å
765	G	65	Low	72.9	Confident	21 Å²	21	34.3 Å²	34.3	22%	0.216	21%	0.211	C	C	.	.	S	Bend	trans	160.2	168.1	178.6	0	0	0	0	0	113.9	L767 I768	G765-L767 VanDerWaalsContact C-N 3.29Å; G765-I768 PolarHBondContact O-N 3.34Å
766	P	62.5	Low	72.9	Confident	78 Å²	78	33.5 Å²	33.5	51%	0.506	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-65.7	-36.4	171.4	28.5	-32.4	0	0	0	110.7	I768 T769 P850	P766-I768 PolarHBondContact O-N 2.67Å; P766-T769 PolarHBondContact O-N 3.03Å; P766-T769 PolarHBondContact O-OG1 2.93Å; P766-P850 WeakPolarHBondContact CD-O 3.48Å
767	L	65.3	Low	73	Confident	13 Å²	13	32.8 Å²	32.8	7%	0.068	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-73	32	172.6	-59.8	-174	0	0	0	113.8	L759 G765 T771 A792 V801 M803	L759-L767 HydrophobicContact CD1-CB 4.4Å; L759-L767 HydrophobicContact CD1-CD1 3.8Å; G765-L767 VanDerWaalsContact C-N 3.29Å; L767-T771 VanDerWaalsContact C-CG2 3.46Å; L767-T771 WeakPolarHBondContact O-CG2 3.33Å; L767-T771 PolarHBondContact O-OG1 3.28Å; L767-T771 VanDerWaalsContact O-OG1 3.11Å; L767-A792 HydrophobicContact CD1-CB 3.71Å; L767-A792 HydrophobicContact CD2-CB 4.04Å; L767-V801 HydrophobicContact CD2-CG2 4.37Å; L767-M803 HydrophobicContact CD1-CE 3.51Å; L767-M803 HydrophobicContact CD1-CG 4.08Å; L767-M803 HydrophobicContact CD1-SD 3.65Å; L767-M803 HydrophobicContact CD2-SD 3.99Å; L767-M803 HydrophobicContact CG-CE 3.91Å; L767-M803 HydrophobicContact CG-SD 3.88Å
768	I	59.5	Low	73.1	Confident	50 Å²	50	32.4 Å²	32.4	26%	0.256	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-125.8	-12	175.4	-60.9	-171.1	0	0	0	112.3	L762 Q764 G765 P766 S770 T771	L762-I768 VanDerWaalsContact C-CD1 3.46Å; L762-I768 HydrophobicContact CB-CD1 3.75Å; L762-I768 HydrophobicContact CB-CG1 4.24Å; Q764-I768 VanDerWaalsContact CA-CD1 3.4Å; G765-I768 PolarHBondContact O-N 3.34Å; P766-I768 PolarHBondContact O-N 2.67Å; I768-S770 PolarHBondContact O-N 3.4Å; I768-T771 WeakPolarHBondContact CA-OG1 3.5Å
769	T	50.9	Low	73.4	Confident	127 Å²	127	31.1 Å²	31.1	78%	0.779	19%	0.19	S	C	*	.	S	Bend	trans	-67.2	-3.1	-169.1	53.9	0	0	0	0	115.7	P766	P766-T769 PolarHBondContact O-N 3.03Å; P766-T769 PolarHBondContact O-OG1 2.93Å
770	S	50	Low	73.7	Confident	53 Å²	53	31 Å²	31	37%	0.371	19%	0.19	S	C	.	.	S	Bend	trans	-161.3	13.7	169.9	63.5	0	0	0	0	115.3	I768 N772 D796	I768-S770 PolarHBondContact O-N 3.4Å; S770-N772 PolarHBondContact O-N 3.01Å; S770-D796 WeakPolarHBondContact CB-OD2 3.32Å; S770-D796 PolarHBondContact OG-OD2 2.68Å
771	T	51.8	Low	74.5	Confident	20 Å²	20	28.8 Å²	28.8	12%	0.123	17%	0.173	C	C	.	.			trans	-91.3	53.3	-142.6	57.1	0	0	0	0	117.7	L767 I768 G773 S774	L767-T771 VanDerWaalsContact C-CG2 3.46Å; L767-T771 WeakPolarHBondContact O-CG2 3.33Å; L767-T771 PolarHBondContact O-OG1 3.28Å; L767-T771 VanDerWaalsContact O-OG1 3.11Å; I768-T771 WeakPolarHBondContact CA-OG1 3.5Å; T771-G773 PolarHBondContact O-N 3.35Å; T771-S774 WeakPolarHBondContact CA-OG 3.36Å; T771-S774 WeakPolarHBondContact CB-OG 3.46Å; T771-S774 VanDerWaalsContact CG2-OG 3.22Å; T771-S774 WeakPolarHBondContact CG2-OG 3.16Å
772	N	63.1	Low	75.4	Confident	64 Å²	64	30.2 Å²	30.2	34%	0.342	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	117.4	157.7	-87.1	3.9	0	0	0	109.2	L651 F656 S770	L651-N772 HydrophobicContact CD1-CB 4.36Å; L651-N772 HydrophobicContact CD2-CB 3.75Å; F656-N772 HydrophobicContact CD1-CB 4.26Å; F656-N772 HydrophobicContact CD2-CB 4.37Å; F656-N772 HydrophobicContact CG-CB 4.18Å; S770-N772 PolarHBondContact O-N 3.01Å
773	G	70.9	Confident	75.8	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.01	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.4	1	178	0	0	0	0	0	115.5	S649 Y661 T771 P795	S649-G773 VanDerWaalsContact OG-CA 3.22Å; S649-G773 WeakPolarHBondContact OG-CA 3.3Å; S649-G773 PolarHBondContact OG-N 2.91Å; Y661-G773 PolarHBondContact OH-O 3.42Å; T771-G773 PolarHBondContact O-N 3.35Å; G773-P795 WeakPolarHBondContact O-CG 3.26Å
774	S	85.2	Confident	76.5	Confident	2 Å²	2	33.9 Å²	33.9	1%	0.014	23%	0.231	C	C	.	.			trans	-78.5	136.4	-176.6	-58.8	0	0	0	0	112.1	L759 T771 Y793 P795	L759-S774 WeakPolarHBondContact CB-O 3.48Å; L759-S774 PolarHBondContact N-O 3.43Å; T771-S774 WeakPolarHBondContact CA-OG 3.36Å; T771-S774 WeakPolarHBondContact CB-OG 3.46Å; T771-S774 VanDerWaalsContact CG2-OG 3.22Å; T771-S774 WeakPolarHBondContact CG2-OG 3.16Å; S774-Y793 WeakPolarHBondContact CA-O 3.29Å; S774-Y793 WeakPolarHBondContact CB-O 3.42Å; S774-Y793 PolarHBondContact OG-O 2.83Å; S774-P795 WeakPolarHBondContact OG-CD 3.38Å
775	I	91.4	Very high	77.6	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	155.4	-177.1	64.1	166.8	0	0	0	110.4	V647 Y661 C663 V757 A792 Y793 W800	V647-I775 HydrophobicContact CB-CB 4.38Å; V647-I775 HydrophobicContact CB-CG2 3.99Å; V647-I775 HydrophobicContact CG1-CB 4.03Å; V647-I775 HydrophobicContact CG1-CG2 3.46Å; V647-I775 VanDerWaalsContact CG1-CG2 3.46Å; Y661-I775 HydrophobicContact CD1-CD1 4.17Å; Y661-I775 HydrophobicContact CD2-CD1 3.95Å; Y661-I775 HydrophobicContact CD2-CG2 3.76Å; Y661-I775 HydrophobicContact CE2-CG2 3.92Å; Y661-I775 HydrophobicContact CG-CD1 3.7Å; C663-I775 VanDerWaalsContact SG-CD1 3.56Å; V757-I775 WeakPolarHBondContact O-CA 3.45Å; I775-A792 CarbonylContact O-C 3.56Å; I775-A792 WeakPolarHBondContact O-CA 3.33Å; I775-Y793 HydrophobicContact CG1-CD1 4.48Å; I775-Y793 PolarHBondContact O-N 3.09Å; I775-W800 HydrophobicContact CD1-CH2 3.89Å; I775-W800 HydrophobicContact CG1-CH2 4.04Å
776	L	92.7	Very high	78.9	Confident	2 Å²	2	38.1 Å²	38.1	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	137.9	175.3	176.1	151.9	0	0	0	110.1	G756 V757 L759 A778 V790 E791 M803 I824	G756-L776 CarbonylContact C-O 3.5Å; G756-L776 VanDerWaalsContact CA-O 3.28Å; G756-L776 WeakPolarHBondContact CA-O 3.48Å; V757-L776 HydrophobicContact CG1-CB 3.9Å; V757-L776 HydrophobicContact CG1-CD2 3.78Å; V757-L776 HydrophobicContact CG1-CG 4.42Å; V757-L776 PolarHBondContact N-O 2.75Å; V757-L776 PolarHBondContact O-N 3.42Å; L759-L776 HydrophobicContact CD1-CB 4.14Å; L759-L776 HydrophobicContact CD2-CB 3.79Å; L759-L776 HydrophobicContact CD2-CD1 4.39Å; L759-L776 HydrophobicContact CG-CB 4.19Å; L776-A778 HydrophobicContact CD2-CB 4.05Å; L776-V790 HydrophobicContact CD1-CG1 3.64Å; L776-V790 HydrophobicContact CD2-CG1 3.66Å; L776-V790 HydrophobicContact CG-CG1 3.59Å; L776-E791 CarbonylContact C-O 3.52Å; L776-E791 WeakPolarHBondContact CA-O 3.4Å; L776-M803 HydrophobicContact CD1-CG 4.5Å; L776-I824 HydrophobicContact CD1-CD1 3.85Å; L776-I824 HydrophobicContact CD2-CG2 4.37Å
777	V	95.8	Very high	80.3	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	121.5	178.9	180	0	0	0	0	108.3	C663 L747 P754 V755 E791 W800	C663-V777 HydrophobicContact CB-CG2 4.01Å; L747-V777 HydrophobicContact CD1-CG1 4.34Å; L747-V777 HydrophobicContact CD2-CB 4.03Å; L747-V777 HydrophobicContact CD2-CG1 4.17Å; L747-V777 HydrophobicContact CD2-CG2 4.29Å; P754-V777 HydrophobicContact CB-CG1 3.79Å; P754-V777 HydrophobicContact CG-CG1 4.42Å; V755-V777 CarbonylContact O-C 3.57Å; V755-V777 VanDerWaalsContact O-CA 3.32Å; V755-V777 WeakPolarHBondContact O-CA 3.05Å; V777-E791 PolarHBondContact N-O 3.1Å; V777-E791 PolarHBondContact O-N 3.49Å; V777-W800 HydrophobicContact CB-CH2 4.44Å; V777-W800 HydrophobicContact CB-CZ3 4.15Å; V777-W800 HydrophobicContact CG2-CH2 3.63Å; V777-W800 HydrophobicContact CG2-CZ3 3.77Å
778	A	95.3	Very high	81.7	Confident	1 Å²	1	36 Å²	36	1%	0.008	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	144	-174.8	0	0	0	0	0	112.1	V755 L776 V790 M806	V755-A778 HydrophobicContact CG1-CB 3.86Å; V755-A778 PolarHBondContact N-O 3.14Å; V755-A778 PolarHBondContact O-N 3.29Å; L776-A778 HydrophobicContact CD2-CB 4.05Å; A778-V790 HydrophobicContact CB-CG1 4.18Å; A778-V790 HydrophobicContact CB-CG2 3.97Å; A778-M806 HydrophobicContact CB-SD 4.09Å
779	G	94.2	Very high	83.4	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.01	23%	0.225	C	C	.	.			trans	59.9	-145.7	169.7	0	0	0	0	0	114.9	R751 L787 S789	R751-G779 WeakPolarHBondContact CD-O 3.42Å; R751-G779 PolarHBondContact NH1-O 3.23Å; G779-L787 VanDerWaalsContact CA-O 3.3Å; G779-L787 WeakPolarHBondContact CA-O 3.12Å; G779-S789 PolarHBondContact N-O 3.42Å
780	G	93.7	Very high	85.5	Confident	1 Å²	1	28.2 Å²	28.2	1%	0.01	19%	0.188	C	C	.	.			trans	94.1	-156.5	-170.8	0	0	0	0	0	112.5	T752 N753 F786 L787 R810	T752-G780 CarbonylContact O-C 3.51Å; T752-G780 VanDerWaalsContact O-CA 3.31Å; T752-G780 WeakPolarHBondContact O-CA 3.44Å; N753-G780 VanDerWaalsContact O-CA 3.31Å; N753-G780 WeakPolarHBondContact O-CA 3.38Å; G780-F786 WeakPolarHBondContact O-CA 3.45Å; G780-L787 PolarHBondContact O-N 3.46Å; G780-R810 PolarHBondContact N-O 3.08Å
781	V	92.7	Very high	87.6	Confident	13 Å²	13	25.7 Å²	25.7	8%	0.079	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	134.6	178.4	-169.6	0	0	0	0	109.4	R751 T752 G783 Q785 F786 R811	R751-V781 CarbonylContact C-O 3.59Å; R751-V781 VanDerWaalsContact CA-O 3.27Å; R751-V781 WeakPolarHBondContact CA-O 3.5Å; T752-V781 HydrophobicContact CG2-CB 3.94Å; T752-V781 PolarHBondContact N-O 2.92Å; T752-V781 PolarHBondContact O-N 3.4Å; V781-G783 WeakPolarHBondContact CG1-O 3.17Å; V781-Q785 VanDerWaalsContact CA-O 3.3Å; V781-Q785 WeakPolarHBondContact CA-O 3.32Å; V781-Q785 WeakPolarHBondContact CG1-O 3.5Å; V781-F786 HydrophobicContact CG1-CD1 4.28Å; V781-F786 HydrophobicContact CG2-CD1 3.88Å; V781-F786 HydrophobicContact CG2-CE1 4.35Å; V781-R811 HydrophobicContact CG2-CB 3.57Å; V781-R811 HydrophobicContact CG2-CG 4.05Å
782	S	90.8	Very high	89.6	Confident	46 Å²	46	24.7 Å²	24.7	32%	0.322	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	109.4	160.7	-155.5	0	0	0	0	108.9	A750 A784 Q785	A750-S782 VanDerWaalsContact O-CB 3.3Å; A750-S782 WeakPolarHBondContact O-CB 3.45Å; A750-S782 PolarHBondContact O-OG 3.41Å; S782-A784 PolarHBondContact O-N 3.47Å; S782-Q785 PolarHBondContact N-O 3.28Å; S782-Q785 PolarHBondContact O-N 2.97Å
783	G	84.6	Confident	90.9	Very high	63 Å²	63	22.2 Å²	22.2	65%	0.649	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.9	-99.7	-175.2	0	0	0	0	0	112.9	V781	V781-G783 WeakPolarHBondContact CG1-O 3.17Å
784	A	84.3	Confident	91.7	Very high	98 Å²	98	23.3 Å²	23.3	81%	0.81	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109	-10.7	178.3	0	0	0	0	0	114.1	S782	S782-A784 PolarHBondContact O-N 3.47Å
785	Q	90.1	Very high	91.7	Very high	128 Å²	128	24.6 Å²	24.6	60%	0.598	16%	0.164	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-94.9	126.7	-174.8	179.3	173.4	-15.5	0	0	110.9	V781 S782 L787	V781-Q785 VanDerWaalsContact CA-O 3.3Å; V781-Q785 WeakPolarHBondContact CA-O 3.32Å; V781-Q785 WeakPolarHBondContact CG1-O 3.5Å; S782-Q785 PolarHBondContact N-O 3.28Å; S782-Q785 PolarHBondContact O-N 2.97Å; Q785-L787 HydrophobicContact CG-CD2 4.47Å
786	F	91.6	Very high	91.2	Very high	39 Å²	39	29 Å²	29	17%	0.171	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	130.9	167.9	-53.6	-6.7	0	0	0	108.4	G780 V781 R811 V830 N832	G780-F786 WeakPolarHBondContact O-CA 3.45Å; V781-F786 HydrophobicContact CG1-CD1 4.28Å; V781-F786 HydrophobicContact CG2-CD1 3.88Å; V781-F786 HydrophobicContact CG2-CE1 4.35Å; F786-R811 HydrophobicContact CD1-CG 4.38Å; F786-R811 HydrophobicContact CD2-CG 4.35Å; F786-R811 HydrophobicContact CE1-CG 4.43Å; F786-R811 HydrophobicContact CE2-CG 4.4Å; F786-R811 HydrophobicContact CG-CG 4.38Å; F786-R811 HydrophobicContact CZ-CG 4.46Å; F786-R811 VanDerWaalsContact CZ-NE 3.34Å; F786-V830 WeakPolarHBondContact CD2-O 3.21Å; F786-V830 HydrophobicContact CE2-CB 4.05Å; F786-V830 HydrophobicContact CE2-CG1 3.88Å; F786-V830 HydrophobicContact CZ-CG1 4.46Å; F786-N832 HydrophobicContact CB-CB 4.34Å; F786-N832 HydrophobicContact CD2-CB 3.97Å; F786-N832 HydrophobicContact CG-CB 4.41Å
787	L	93.2	Very high	90.8	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.021	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-88.9	138.1	-172.5	-58.7	177.4	0	0	0	110.9	R751 G779 G780 Q785 G809 R810	R751-L787 HydrophobicContact CB-CD1 3.81Å; G779-L787 VanDerWaalsContact CA-O 3.3Å; G779-L787 WeakPolarHBondContact CA-O 3.12Å; G780-L787 PolarHBondContact O-N 3.46Å; Q785-L787 HydrophobicContact CG-CD2 4.47Å; L787-G809 CarbonylContact O-C 3.4Å; L787-G809 WeakPolarHBondContact O-CA 3.25Å; L787-R810 PolarHBondContact O-N 3.39Å
788	S	93.7	Very high	90.5	Very high	44 Å²	44	39.5 Å²	39.5	31%	0.308	23%	0.231	S	C	.	.			trans	-97.4	-8.3	159.4	49.9	0	0	0	0	112	S805 M806	S788-S805 CarbonylContact O-C 3.58Å; S788-S805 WeakPolarHBondContact O-CA 3.37Å; S788-S805 WeakPolarHBondContact O-CB 3.49Å; S788-M806 WeakPolarHBondContact CB-O 3.49Å; S788-M806 PolarHBondContact O-N 3.46Å
789	S	95	Very high	90.3	Very high	12 Å²	12	42.9 Å²	42.9	8%	0.084	25%	0.247	C	C	.	.			trans	-64.5	140.7	-178.1	61.4	0	0	0	0	112	E749 R751 G779	E749-S789 VanDerWaalsContact OE2-CB 3.24Å; E749-S789 WeakPolarHBondContact OE2-CB 3.35Å; E749-S789 PolarHBondContact OE2-OG 3.47Å; R751-S789 PolarHBondContact NH1-O 2.84Å; R751-S789 VanDerWaalsContact NH1-O 3.14Å; R751-S789 PolarHBondContact NH1-OG 3.09Å; R751-S789 PolarHBondContact NH2-OG 2.87Å; G779-S789 PolarHBondContact N-O 3.42Å
790	V	95.4	Very high	90.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	128.1	-179.7	-174.9	0	0	0	0	108	L776 A778 M803 P804 M806 W855	L776-V790 HydrophobicContact CD1-CG1 3.64Å; L776-V790 HydrophobicContact CD2-CG1 3.66Å; L776-V790 HydrophobicContact CG-CG1 3.59Å; A778-V790 HydrophobicContact CB-CG1 4.18Å; A778-V790 HydrophobicContact CB-CG2 3.97Å; V790-M803 HydrophobicContact CB-CB 4.07Å; V790-M803 HydrophobicContact CG1-CB 3.89Å; V790-M803 PolarHBondContact O-N 3.22Å; V790-P804 WeakPolarHBondContact CG2-O 3.24Å; V790-M806 HydrophobicContact CG2-CG 3.84Å; V790-W855 HydrophobicContact CG2-CZ2 4.01Å
791	E	94.8	Very high	90.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	133.5	179.1	-58.3	-173	-122.8	0	0	109.3	L747 H748 E749 R751 L776 V777 W800 V801 Y802	L747-E791 HydrophobicContact CD2-CB 4.1Å; H748-E791 WeakPolarHBondContact CB-OE2 3.47Å; H748-E791 IonicContact CE1-OE2 2.73Å; H748-E791 IonicContact CG-OE2 3.58Å; H748-E791 PolarHBondContact N-OE1 3.33Å; H748-E791 PolarHBondContact N-OE2 3.15Å; H748-E791 IonicContact ND1-OE2 3.51Å; H748-E791 PolarHBondContact ND1-OE2 3.37Å; E749-E791 PolarHBondContact N-OE1 3.27Å; R751-E791 IonicContact CZ-OE1 3.24Å; R751-E791 IonicContact NE-OE1 2.77Å; R751-E791 IonicContact NH2-OE1 2.97Å; R751-E791 PolarHBondContact NH2-OE1 2.8Å; L776-E791 CarbonylContact C-O 3.52Å; L776-E791 WeakPolarHBondContact CA-O 3.4Å; V777-E791 PolarHBondContact N-O 3.1Å; V777-E791 PolarHBondContact O-N 3.49Å; E791-W800 HydrophobicContact CB-CE3 3.74Å; E791-W800 HydrophobicContact CB-CZ3 4.3Å; E791-V801 CarbonylContact C-O 3.59Å; E791-V801 WeakPolarHBondContact CA-O 3.45Å; E791-Y802 HydrophobicContact CG-CD1 4.08Å; E791-Y802 HydrophobicContact CG-CE1 4.03Å
792	A	92.7	Very high	90.2	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	138.8	173.4	0	0	0	0	0	110.5	L759 L767 I775 W800 V801 M803	L759-A792 HydrophobicContact CD1-CB 4.5Å; L767-A792 HydrophobicContact CD1-CB 3.71Å; L767-A792 HydrophobicContact CD2-CB 4.04Å; I775-A792 CarbonylContact O-C 3.56Å; I775-A792 WeakPolarHBondContact O-CA 3.33Å; A792-W800 CarbonylContact O-C 3.59Å; A792-W800 WeakPolarHBondContact O-CA 3.42Å; A792-V801 HydrophobicContact CB-CG2 4.15Å; A792-V801 PolarHBondContact N-O 2.92Å; A792-V801 PolarHBondContact O-N 2.87Å; A792-M803 HydrophobicContact CB-CG 3.87Å
793	Y	91.9	Very high	90.2	Very high	11 Å²	11	50.1 Å²	50.1	4%	0.043	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	132.1	178.4	177.5	-103.7	0	0	0	110.8	Y661 I744 S774 I775 P795 D798 E799 W800	Y661-Y793 HydrophobicContact CE1-CD1 4.45Å; Y661-Y793 HydrophobicContact CE1-CE1 4.13Å; I744-Y793 HydrophobicContact CD1-CD2 4.46Å; I744-Y793 HydrophobicContact CD1-CE1 4.26Å; I744-Y793 HydrophobicContact CD1-CE2 3.93Å; S774-Y793 WeakPolarHBondContact CA-O 3.29Å; S774-Y793 WeakPolarHBondContact CB-O 3.42Å; S774-Y793 PolarHBondContact OG-O 2.83Å; I775-Y793 HydrophobicContact CG1-CD1 4.48Å; I775-Y793 PolarHBondContact O-N 3.09Å; Y793-P795 HydrophobicContact CD1-CG 3.98Å; Y793-P795 HydrophobicContact CE1-CB 3.96Å; Y793-P795 HydrophobicContact CE1-CG 3.81Å; Y793-D798 PolarHBondContact OH-OD1 3Å; Y793-E799 WeakPolarHBondContact CA-O 3.49Å; Y793-W800 HydrophobicContact CD2-CD2 4.17Å; Y793-W800 AromaticContact CD2-CE2 3.76Å; Y793-W800 HydrophobicContact CD2-CG 4.36Å; Y793-W800 HydrophobicContact CD2-CZ2 4.11Å; Y793-W800 AromaticContact CD2-NE1 3.73Å; Y793-W800 HydrophobicContact CG-CZ2 4.19Å
794	I	86.9	Confident	90.5	Very high	25 Å²	25	48.6 Å²	48.6	13%	0.128	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	103.9	177.6	-56.6	179.1	0	0	0	108.2	D796 R797 D798 E799 V801	I794-D796 PolarHBondContact O-N 3.22Å; I794-R797 HydrophobicContact CG2-CB 4.44Å; I794-R797 HydrophobicContact CG2-CG 4.07Å; I794-R797 PolarHBondContact O-N 3.05Å; I794-D798 PolarHBondContact O-N 2.86Å; I794-E799 PolarHBondContact N-O 3.4Å; I794-E799 PolarHBondContact O-N 2.95Å; I794-V801 HydrophobicContact CD1-CG1 3.78Å; I794-V801 HydrophobicContact CD1-CG2 4.01Å; I794-V801 HydrophobicContact CG1-CG2 4.34Å
795	P	84.2	Confident	91	Very high	29 Å²	29	47.1 Å²	47.1	19%	0.188	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-58.6	-40.5	-171.7	-27.8	35.9	0	0	0	115	G773 S774 Y793 R797 D798	G773-P795 WeakPolarHBondContact O-CG 3.26Å; S774-P795 WeakPolarHBondContact OG-CD 3.38Å; Y793-P795 HydrophobicContact CD1-CG 3.98Å; Y793-P795 HydrophobicContact CE1-CB 3.96Å; Y793-P795 HydrophobicContact CE1-CG 3.81Å; P795-R797 PolarHBondContact O-N 2.58Å; P795-R797 VanDerWaalsContact O-N 3.1Å; P795-D798 PolarHBondContact O-N 2.91Å
796	D	81.6	Confident	91.1	Very high	93 Å²	93	41.4 Å²	41.4	50%	0.497	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-65.3	-16.2	-176.4	-47.6	-61.5	0	0	0	113.8	S770 I794	S770-D796 WeakPolarHBondContact CB-OD2 3.32Å; S770-D796 PolarHBondContact OG-OD2 2.68Å; I794-D796 PolarHBondContact O-N 3.22Å
797	R	85	Confident	90.9	Very high	163 Å²	163	42.7 Å²	42.7	62%	0.615	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-109.6	-13.9	-179.5	-57.2	-173.6	-171.9	-169.6	3	113	I794 P795 E799	I794-R797 HydrophobicContact CG2-CB 4.44Å; I794-R797 HydrophobicContact CG2-CG 4.07Å; I794-R797 PolarHBondContact O-N 3.05Å; P795-R797 PolarHBondContact O-N 2.58Å; P795-R797 VanDerWaalsContact O-N 3.1Å; R797-E799 HydrophobicContact CB-CB 3.83Å; R797-E799 HydrophobicContact CB-CG 3.88Å; R797-E799 VanDerWaalsContact CD-OE2 3.31Å; R797-E799 WeakPolarHBondContact CD-OE2 3.48Å; R797-E799 PolarHBondContact O-N 3.5Å
798	D	89.2	Confident	90.5	Very high	59 Å²	59	44 Å²	44	32%	0.316	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.2	49.2	-160.2	178.2	46.3	0	0	0	110.5	R745 Y793 I794 P795	R745-D798 WeakPolarHBondContact CB-O 3.49Å; R745-D798 VanDerWaalsContact CB-OD1 3.31Å; R745-D798 WeakPolarHBondContact CB-OD1 3.48Å; R745-D798 WeakPolarHBondContact CD-O 3.4Å; R745-D798 VanDerWaalsContact CZ-O 3.3Å; R745-D798 PolarHBondContact N-OD1 3.23Å; R745-D798 PolarHBondContact NE-O 3.42Å; R745-D798 PolarHBondContact NH2-O 3.33Å; Y793-D798 PolarHBondContact OH-OD1 3Å; I794-D798 PolarHBondContact O-N 2.86Å; P795-D798 PolarHBondContact O-N 2.91Å
799	E	91.2	Very high	90.2	Very high	72 Å²	72	42.3 Å²	42.3	34%	0.336	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	142.6	-176.5	-77.1	179.9	156.1	0	0	112.1	Y793 I794 R797	Y793-E799 WeakPolarHBondContact CA-O 3.49Å; I794-E799 PolarHBondContact N-O 3.4Å; I794-E799 PolarHBondContact O-N 2.95Å; R797-E799 HydrophobicContact CB-CB 3.83Å; R797-E799 HydrophobicContact CB-CG 3.88Å; R797-E799 VanDerWaalsContact CD-OE2 3.31Å; R797-E799 WeakPolarHBondContact CD-OE2 3.48Å; R797-E799 PolarHBondContact O-N 3.5Å
800	W	93.2	Very high	90	Very high	10 Å²	10	41.9 Å²	41.9	4%	0.038	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	144.5	164.9	-68.9	90.6	0	0	0	109	V675 R745 S746 L747 H748 I775 V777 E791 A792 Y793	V675-W800 HydrophobicContact CG2-CZ2 3.86Å; R745-W800 PolarHBondContact O-NE1 3.17Å; S746-W800 VanDerWaalsContact O-CD1 3.25Å; L747-W800 HydrophobicContact CD2-CD2 3.83Å; L747-W800 HydrophobicContact CD2-CE3 3.64Å; L747-W800 HydrophobicContact CD2-CH2 3.71Å; L747-W800 HydrophobicContact CD2-CZ2 3.9Å; L747-W800 HydrophobicContact CD2-CZ3 3.57Å; L747-W800 HydrophobicContact CG-CH2 4.46Å; L747-W800 HydrophobicContact CG-CZ2 4.25Å; H748-W800 PolarHBondContact CE1-O 2.85Å; H748-W800 VanDerWaalsContact CE1-O 3.23Å; I775-W800 HydrophobicContact CD1-CH2 3.89Å; I775-W800 HydrophobicContact CG1-CH2 4.04Å; V777-W800 HydrophobicContact CB-CH2 4.44Å; V777-W800 HydrophobicContact CB-CZ3 4.15Å; V777-W800 HydrophobicContact CG2-CH2 3.63Å; V777-W800 HydrophobicContact CG2-CZ3 3.77Å; E791-W800 HydrophobicContact CB-CE3 3.74Å; E791-W800 HydrophobicContact CB-CZ3 4.3Å; A792-W800 CarbonylContact O-C 3.59Å; A792-W800 WeakPolarHBondContact O-CA 3.42Å; Y793-W800 HydrophobicContact CD2-CD2 4.17Å; Y793-W800 AromaticContact CD2-CE2 3.76Å; Y793-W800 HydrophobicContact CD2-CG 4.36Å; Y793-W800 HydrophobicContact CD2-CZ2 4.11Å; Y793-W800 AromaticContact CD2-NE1 3.73Å; Y793-W800 HydrophobicContact CG-CZ2 4.19Å
801	V	91.8	Very high	89.8	Confident	46 Å²	46	44.8 Å²	44.8	28%	0.279	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	144.2	173.1	-62.2	0	0	0	0	109.9	L767 E791 A792 I794	L767-V801 HydrophobicContact CD2-CG2 4.37Å; E791-V801 CarbonylContact C-O 3.59Å; E791-V801 WeakPolarHBondContact CA-O 3.45Å; A792-V801 HydrophobicContact CB-CG2 4.15Å; A792-V801 PolarHBondContact N-O 2.92Å; A792-V801 PolarHBondContact O-N 2.87Å; I794-V801 HydrophobicContact CD1-CG1 3.78Å; I794-V801 HydrophobicContact CD1-CG2 4.01Å; I794-V801 HydrophobicContact CG1-CG2 4.34Å
802	Y	92.7	Very high	89.7	Confident	131 Å²	131	46.5 Å²	46.5	51%	0.514	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	136.9	172.8	-73.1	-72.8	0	0	0	110.8	H748 E791	H748-Y802 HydrophobicContact CB-CE1 4.5Å; H748-Y802 HydrophobicContact CB-CE2 4.36Å; H748-Y802 WeakPolarHBondContact CB-OH 3.44Å; H748-Y802 AromaticContact CG-CZ 3.94Å; H748-Y802 AromaticContact ND1-CE2 3.76Å; H748-Y802 AromaticContact ND1-CZ 3.8Å; E791-Y802 HydrophobicContact CG-CD1 4.08Å; E791-Y802 HydrophobicContact CG-CE1 4.03Å
803	M	91.7	Very high	89.7	Confident	25 Å²	25	47.4 Å²	47.4	12%	0.123	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	169.1	171.9	-73.7	-61.8	-72.7	0	0	110	L767 L776 V790 A792 S805 L848	L767-M803 HydrophobicContact CD1-CE 3.51Å; L767-M803 HydrophobicContact CD1-CG 4.08Å; L767-M803 HydrophobicContact CD1-SD 3.65Å; L767-M803 HydrophobicContact CD2-SD 3.99Å; L767-M803 HydrophobicContact CG-CE 3.91Å; L767-M803 HydrophobicContact CG-SD 3.88Å; L776-M803 HydrophobicContact CD1-CG 4.5Å; V790-M803 HydrophobicContact CB-CB 4.07Å; V790-M803 HydrophobicContact CG1-CB 3.89Å; V790-M803 PolarHBondContact O-N 3.22Å; A792-M803 HydrophobicContact CB-CG 3.87Å; M803-S805 PolarHBondContact O-N 3.42Å; M803-L848 HydrophobicContact CE-CD2 4.32Å
804	P	91.2	Very high	89.8	Confident	31 Å²	31	47.2 Å²	47.2	20%	0.201	24%	0.235	C	C	.	.			trans	-41.4	127.9	167.1	-35.8	40.6	0	0	0	112.5	V790 L848 D853 W855	V790-P804 WeakPolarHBondContact CG2-O 3.24Å; P804-L848 HydrophobicContact CB-CD1 4.13Å; P804-L848 HydrophobicContact CB-CD2 4.3Å; P804-L848 HydrophobicContact CG-CD1 4.3Å; P804-L848 HydrophobicContact CG-CD2 4.43Å; P804-D853 VanDerWaalsContact CB-O 3.29Å; P804-D853 WeakPolarHBondContact CB-O 3.35Å; P804-D853 WeakPolarHBondContact CG-O 3.19Å; P804-W855 PolarHBondContact O-NE1 2.93Å
805	S	93.3	Very high	90.1	Very high	67 Å²	67	46.6 Å²	46.6	47%	0.469	23%	0.233	S	C	.	.			trans	-74.5	142.4	177.1	-67.7	0	0	0	0	110.7	S788 M803 W855	S788-S805 CarbonylContact O-C 3.58Å; S788-S805 WeakPolarHBondContact O-CA 3.37Å; S788-S805 WeakPolarHBondContact O-CB 3.49Å; M803-S805 PolarHBondContact O-N 3.42Å; S805-W855 VanDerWaalsContact C-CD1 3.47Å
806	M	92.3	Very high	90.4	Very high	8 Å²	8	46.7 Å²	46.7	4%	0.039	23%	0.232	C	C	.	.			trans	-55.9	151.6	175.5	-67.2	-176.2	-53.7	0	0	111.3	A778 S788 V790 Q808 R810 V826 E846 W855	A778-M806 HydrophobicContact CB-SD 4.09Å; S788-M806 WeakPolarHBondContact CB-O 3.49Å; S788-M806 PolarHBondContact O-N 3.46Å; V790-M806 HydrophobicContact CG2-CG 3.84Å; M806-Q808 PolarHBondContact O-N 3.01Å; M806-Q808 VanDerWaalsContact O-N 3.11Å; M806-R810 HydrophobicContact CE-CB 4.23Å; M806-V826 HydrophobicContact SD-CB 4.48Å; M806-V826 HydrophobicContact SD-CG1 3.99Å; M806-V826 HydrophobicContact SD-CG2 4.23Å; M806-E846 WeakPolarHBondContact CB-OE1 3.43Å; M806-W855 HydrophobicContact CG-CD2 4.16Å; M806-W855 HydrophobicContact CG-CH2 4.36Å; M806-W855 HydrophobicContact CG-CZ2 3.95Å
807	L	88.8	Confident	90.8	Very high	67 Å²	67	42.3 Å²	42.3	35%	0.351	21%	0.209	S	C	.	.	S	Bend	trans	-62.3	-22.4	-179.6	-61.4	180	0	0	0	112.8	W855 Y857	L807-W855 HydrophobicContact CD1-CB 4.48Å; L807-W855 HydrophobicContact CD2-CB 4.18Å; L807-W855 WeakPolarHBondContact CD2-O 3.47Å; L807-W855 HydrophobicContact CG-CB 3.82Å; L807-Y857 HydrophobicContact CB-CE1 4.1Å; L807-Y857 HydrophobicContact CD1-CD1 3.9Å; L807-Y857 HydrophobicContact CD1-CD2 3.78Å; L807-Y857 HydrophobicContact CD1-CE1 3.64Å; L807-Y857 HydrophobicContact CD1-CE2 3.51Å; L807-Y857 HydrophobicContact CD1-CG 3.98Å; L807-Y857 VanDerWaalsContact CD1-CZ 3.44Å; L807-Y857 HydrophobicContact CG-CE1 4.48Å
808	Q	83.6	Confident	90.9	Very high	32 Å²	32	34.6 Å²	34.6	15%	0.15	18%	0.18	C	C	.	.	S	Bend	trans	-139.6	147.9	-179.8	-60	-179.2	3.9	0	0	110.4	M806 R810 V831 Y857	M806-Q808 PolarHBondContact O-N 3.01Å; M806-Q808 VanDerWaalsContact O-N 3.11Å; Q808-R810 PolarHBondContact O-N 2.91Å; Q808-V831 HydrophobicContact CB-CG1 4.13Å; Q808-V831 HydrophobicContact CB-CG2 4.47Å; Q808-V831 HydrophobicContact CG-CG1 4.49Å; Q808-Y857 PolarHBondContact NE2-OH 3.39Å
809	G	88.4	Confident	90.5	Very high	7 Å²	7	32.7 Å²	32.7	7%	0.072	17%	0.17	C	C	.	.			trans	-76.6	117.8	173	0	0	0	0	0	110.9	L787 V831 N832	L787-G809 CarbonylContact O-C 3.4Å; L787-G809 WeakPolarHBondContact O-CA 3.25Å; G809-V831 WeakPolarHBondContact O-CA 3.34Å; G809-N832 PolarHBondContact O-N 3.07Å
810	R	90.8	Very high	89.7	Confident	3 Å²	3	29.8 Å²	29.8	1%	0.011	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	139.2	-171.4	-60.3	-177.1	-164.4	-88.9	-5.3	112.4	G780 L787 M806 Q808 V830 V831 V843 E846	G780-R810 PolarHBondContact N-O 3.08Å; L787-R810 PolarHBondContact O-N 3.39Å; M806-R810 HydrophobicContact CE-CB 4.23Å; Q808-R810 PolarHBondContact O-N 2.91Å; R810-V830 WeakPolarHBondContact CA-O 3.46Å; R810-V831 HydrophobicContact CG-CG2 4.31Å; R810-V843 PolarHBondContact NH1-O 3.45Å; R810-E846 IonicContact CZ-OE1 2.87Å; R810-E846 IonicContact CZ-OE2 3.71Å; R810-E846 VanDerWaalsContact NE-CD 3.27Å; R810-E846 IonicContact NE-OE1 2.68Å; R810-E846 PolarHBondContact NE-OE1 3.37Å; R810-E846 IonicContact NE-OE2 2.97Å; R810-E846 IonicContact NH2-OE1 3.05Å; R810-E846 IonicContact NH2-OE2 3.36Å; R810-E846 PolarHBondContact NH2-OE2 2.93Å
811	R	91.1	Very high	89	Confident	62 Å²	62	29.7 Å²	29.7	23%	0.234	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	158.5	164.4	66.8	171.3	173.7	133.3	-16.6	111.2	N753 V781 F786 A813 G829 V830	N753-R811 HydrophobicContact CB-CB 4.43Å; V781-R811 HydrophobicContact CG2-CB 3.57Å; V781-R811 HydrophobicContact CG2-CG 4.05Å; F786-R811 HydrophobicContact CD1-CG 4.38Å; F786-R811 HydrophobicContact CD2-CG 4.35Å; F786-R811 HydrophobicContact CE1-CG 4.43Å; F786-R811 HydrophobicContact CE2-CG 4.4Å; F786-R811 HydrophobicContact CG-CG 4.38Å; F786-R811 HydrophobicContact CZ-CG 4.46Å; F786-R811 VanDerWaalsContact CZ-NE 3.34Å; R811-A813 PolarHBondContact O-N 3.18Å; R811-G829 CarbonylContact O-C 3.58Å; R811-G829 WeakPolarHBondContact O-CA 3.46Å; R811-V830 HydrophobicContact CG-CB 3.87Å; R811-V830 HydrophobicContact CG-CG2 4Å; R811-V830 PolarHBondContact N-O 3.31Å; R811-V830 PolarHBondContact O-N 3.49Å
812	E	91.6	Very high	88.5	Confident	36 Å²	36	27.5 Å²	27.5	17%	0.168	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	60.1	26.9	173.9	-61.8	158.7	-160.8	0	0	113	N753 G829 R870 G871	N753-E812 HydrophobicContact CB-CG 3.75Å; N753-E812 VanDerWaalsContact CG-CG 3.49Å; N753-E812 PolarHBondContact ND2-OE1 3.4Å; N753-E812 PolarHBondContact O-N 3.11Å; E812-G829 WeakPolarHBondContact O-CA 3.24Å; E812-R870 HydrophobicContact CB-CB 4.38Å; E812-G871 PolarHBondContact O-N 3.34Å
813	A	93.1	Very high	88.2	Confident	18 Å²	18	21.3 Å²	21.3	15%	0.149	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	164.2	170.8	0	0	0	0	0	110.7	R811 V826 I827	R811-A813 PolarHBondContact O-N 3.18Å; A813-V826 HydrophobicContact CB-CG1 4.04Å; A813-I827 WeakPolarHBondContact CA-O 3.47Å; A813-I827 WeakPolarHBondContact CB-O 3.37Å
814	C	93.4	Very high	88.2	Confident	8 Å²	8	20.1 Å²	20.1	5%	0.054	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	155.1	170.7	56	0	0	0	0	109.8	I827 A872 L874 L913	C814-I827 PolarHBondContact N-O 3.36Å; C814-I827 PolarHBondContact O-N 2.83Å; C814-I827 PolarHBondContact SG-O 2.91Å; C814-A872 WeakPolarHBondContact CB-O 3.43Å; C814-L874 HydrophobicContact CB-CB 3.94Å; C814-L913 WeakPolarHBondContact SG-CD1 3.28Å
815	A	93.9	Very high	88.3	Confident	12 Å²	12	18.7 Å²	18.7	10%	0.099	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	152.4	-173.4	0	0	0	0	0	111	V755 V825 V826	V755-A815 HydrophobicContact CB-CB 4.33Å; V755-A815 HydrophobicContact CG1-CB 3.81Å; V755-A815 HydrophobicContact CG2-CB 3.54Å; A815-V825 CarbonylContact C-O 3.58Å; A815-V825 WeakPolarHBondContact CA-O 3.24Å; A815-V825 VanDerWaalsContact CB-O 3.25Å; A815-V825 WeakPolarHBondContact CB-O 3.31Å; A815-V826 HydrophobicContact CB-CG2 3.93Å
816	N	91.3	Very high	88.3	Confident	30 Å²	30	15.6 Å²	15.6	16%	0.16	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	163.9	174.3	-146.2	-44.6	0	0	0	109.5	V825 L874 L911	N816-V825 PolarHBondContact N-O 3.41Å; N816-V825 VanDerWaalsContact N-O 3.08Å; N816-V825 PolarHBondContact O-N 3.4Å; N816-L874 HydrophobicContact CB-CD2 3.95Å; N816-L874 HydrophobicContact CB-CG 4.04Å; N816-L874 PolarHBondContact ND2-O 3.03Å; N816-L911 HydrophobicContact CB-CD2 4.08Å
817	V	88.9	Confident	88.2	Confident	2 Å²	2	15.2 Å²	15.2	1%	0.012	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	141.1	166.9	168.9	0	0	0	0	108.6	V757 D758 L762 L823 I824 Y876	V757-V817 HydrophobicContact CG2-CG2 3.98Å; D758-V817 WeakPolarHBondContact O-CG2 3.34Å; L762-V817 HydrophobicContact CD2-CG1 3.75Å; L762-V817 HydrophobicContact CD2-CG2 4.12Å; L762-V817 HydrophobicContact CG-CG1 4.25Å; L762-V817 HydrophobicContact CG-CG2 4.18Å; V817-L823 CarbonylContact C-O 3.56Å; V817-L823 WeakPolarHBondContact CA-O 3.48Å; V817-I824 HydrophobicContact CG2-CG1 4.39Å; V817-Y876 PolarHBondContact O-OH 3.03Å
818	L	87.2	Confident	88.2	Confident	1 Å²	1	12 Å²	12	1%	0.005	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	92.6	169.4	179.8	64.2	0	0	0	107.7	S820 R821 N822 L823 V825 D909 L911 F929 P931	L818-S820 VanDerWaalsContact C-N 3.34Å; L818-S820 PolarHBondContact O-N 3.4Å; L818-R821 HydrophobicContact CD2-CB 3.79Å; L818-R821 HydrophobicContact CD2-CG 3.67Å; L818-R821 HydrophobicContact CG-CB 4.03Å; L818-R821 HydrophobicContact CG-CG 4.1Å; L818-R821 PolarHBondContact O-N 3.43Å; L818-R821 VanDerWaalsContact O-N 3.09Å; L818-N822 PolarHBondContact O-N 3.47Å; L818-L823 HydrophobicContact CB-CB 4.36Å; L818-L823 HydrophobicContact CD2-CD1 4.48Å; L818-L823 PolarHBondContact N-O 2.7Å; L818-L823 PolarHBondContact O-N 2.68Å; L818-V825 HydrophobicContact CB-CG2 3.95Å; L818-V825 HydrophobicContact CD2-CG2 4.4Å; L818-D909 VanDerWaalsContact CD1-O 3.27Å; L818-D909 WeakPolarHBondContact CD1-O 3.47Å; L818-D909 VanDerWaalsContact CD1-OD2 3.28Å; L818-D909 WeakPolarHBondContact CD1-OD2 3.47Å; L818-L911 HydrophobicContact CB-CD1 4.24Å; L818-L911 HydrophobicContact CD1-CD1 4.17Å; L818-L911 HydrophobicContact CD1-CG 4.06Å; L818-F929 HydrophobicContact CD2-CD1 4.45Å; L818-F929 HydrophobicContact CD2-CE1 3.94Å; L818-P931 HydrophobicContact CD1-CB 3.75Å; L818-P931 HydrophobicContact CD1-CG 4.1Å; L818-P931 HydrophobicContact CD2-CB 3.83Å; L818-P931 HydrophobicContact CG-CB 4.21Å
819	T	81.6	Confident	88.4	Confident	18 Å²	18	10.6 Å²	10.6	11%	0.11	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	-61.4	-41.3	-165.7	-62.5	0	0	0	0	111.4	G761 R821 N822 Y876 D909	G761-T819 WeakPolarHBondContact O-CG2 3.39Å; G761-T819 PolarHBondContact O-OG1 3.12Å; T819-R821 PolarHBondContact O-N 2.88Å; T819-R821 VanDerWaalsContact O-N 3.17Å; T819-N822 PolarHBondContact O-N 3.13Å; T819-Y876 PolarHBondContact OG1-OH 2.72Å; T819-Y876 VanDerWaalsContact OG1-OH 3.04Å; T819-D909 VanDerWaalsContact CB-OD1 3.25Å; T819-D909 WeakPolarHBondContact CB-OD1 3.5Å; T819-D909 PolarHBondContact N-OD1 2.82Å; T819-D909 VanDerWaalsContact N-OD1 3.16Å; T819-D909 PolarHBondContact N-OD2 3.18Å
820	S	73.5	Confident	88.3	Confident	12 Å²	12	10.8 Å²	10.8	8%	0.084	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	-75.1	0.8	-179.7	76.1	0	0	0	0	115.2	S538 R542 L818 D909	S538-S820 VanDerWaalsContact CB-O 3.25Å; S538-S820 WeakPolarHBondContact CB-O 3.4Å; S538-S820 PolarHBondContact OG-O 2.94Å; R542-S820 PolarHBondContact NH1-OG 3.25Å; R542-S820 PolarHBondContact NH2-OG 3.44Å; L818-S820 VanDerWaalsContact C-N 3.34Å; L818-S820 PolarHBondContact O-N 3.4Å; S820-D909 WeakPolarHBondContact CA-OD2 3.1Å; S820-D909 WeakPolarHBondContact CB-OD2 3.28Å; S820-D909 PolarHBondContact N-OD1 2.89Å; S820-D909 PolarHBondContact N-OD2 3.43Å; S820-D909 PolarHBondContact OG-OD2 3.41Å
821	R	78.6	Confident	87.9	Confident	8 Å²	8	12.5 Å²	12.5	3%	0.03	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-124.6	-3.3	169.9	-60.7	-62.3	-166.2	179.4	14	113.1	S413 I535 L818 T819 L823 P931	S413-R821 VanDerWaalsContact CB-NH2 3.33Å; S413-R821 VanDerWaalsContact OG-CZ 3.28Å; S413-R821 PolarHBondContact OG-NH1 3.18Å; S413-R821 PolarHBondContact OG-NH2 2.98Å; I535-R821 VanDerWaalsContact CD1-NH1 3.28Å; I535-R821 VanDerWaalsContact CG1-NH1 3.32Å; L818-R821 HydrophobicContact CD2-CB 3.79Å; L818-R821 HydrophobicContact CD2-CG 3.67Å; L818-R821 HydrophobicContact CG-CB 4.03Å; L818-R821 HydrophobicContact CG-CG 4.1Å; L818-R821 PolarHBondContact O-N 3.43Å; L818-R821 VanDerWaalsContact O-N 3.09Å; T819-R821 PolarHBondContact O-N 2.88Å; T819-R821 VanDerWaalsContact O-N 3.17Å; R821-L823 VanDerWaalsContact C-N 3.26Å; R821-L823 HydrophobicContact CB-CD1 3.87Å; R821-L823 HydrophobicContact CB-CG 3.8Å; R821-L823 PolarHBondContact O-N 3.3Å; R821-P931 HydrophobicContact CG-CB 4.16Å; R821-P931 PolarHBondContact NE-O 3.2Å; R821-P931 PolarHBondContact NH2-O 3.08Å
822	N	80.9	Confident	86.9	Confident	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	41.6	-172.1	-169.4	74.2	0	0	0	112.5	A534 Q763 Q764 L818 T819 P850	A534-N822 HydrophobicContact CB-CB 3.4Å; Q763-N822 PolarHBondContact N-OD1 2.86Å; Q764-N822 PolarHBondContact N-OD1 3.45Å; Q764-N822 PolarHBondContact O-ND2 3.06Å; Q764-N822 PolarHBondContact O-OD1 2.97Å; L818-N822 PolarHBondContact O-N 3.47Å; T819-N822 PolarHBondContact O-N 3.13Å; N822-P850 WeakPolarHBondContact ND2-CG 3.14Å; N822-P850 WeakPolarHBondContact O-CD 3.32Å
823	L	87.9	Confident	85.4	Confident	1 Å²	1	15.8 Å²	15.8	1%	0.005	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	138.2	-178.7	-60.1	179.3	0	0	0	110.8	V817 L818 R821 V825 A847 L848 D849 F856 W934	V817-L823 CarbonylContact C-O 3.56Å; V817-L823 WeakPolarHBondContact CA-O 3.48Å; L818-L823 HydrophobicContact CB-CB 4.36Å; L818-L823 HydrophobicContact CD2-CD1 4.48Å; L818-L823 PolarHBondContact N-O 2.7Å; L818-L823 PolarHBondContact O-N 2.68Å; R821-L823 VanDerWaalsContact C-N 3.26Å; R821-L823 HydrophobicContact CB-CD1 3.87Å; R821-L823 HydrophobicContact CB-CG 3.8Å; R821-L823 PolarHBondContact O-N 3.3Å; L823-V825 HydrophobicContact CB-CG2 4.13Å; L823-A847 HydrophobicContact CB-CB 4.35Å; L823-A847 HydrophobicContact CD1-CB 4.24Å; L823-L848 WeakPolarHBondContact CA-O 3.31Å; L823-D849 HydrophobicContact CD2-CB 3.8Å; L823-F856 HydrophobicContact CD1-CE2 4.48Å; L823-F856 HydrophobicContact CD1-CZ 3.81Å; L823-F856 HydrophobicContact CD2-CE1 3.99Å; L823-F856 HydrophobicContact CD2-CZ 3.74Å; L823-F856 HydrophobicContact CG-CZ 4.43Å; L823-W934 HydrophobicContact CD1-CH2 3.84Å
824	I	91.7	Very high	83.6	Confident	0 Å²	0	21 Å²	21	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	117.8	161.3	-59.1	148.4	0	0	0	106.1	V757 L759 L762 L776 V817 A847 L848 P850 W855	V757-I824 HydrophobicContact CG1-CG2 4.23Å; L759-I824 HydrophobicContact CD2-CD1 4.43Å; L759-I824 HydrophobicContact CD2-CG1 4.47Å; L762-I824 HydrophobicContact CD1-CD1 4.27Å; L762-I824 HydrophobicContact CD1-CG1 4.26Å; L762-I824 HydrophobicContact CD2-CG1 4.36Å; L776-I824 HydrophobicContact CD1-CD1 3.85Å; L776-I824 HydrophobicContact CD2-CG2 4.37Å; V817-I824 HydrophobicContact CG2-CG1 4.39Å; I824-A847 CarbonylContact O-C 3.55Å; I824-A847 WeakPolarHBondContact O-CA 3.36Å; I824-L848 HydrophobicContact CB-CB 4.43Å; I824-L848 HydrophobicContact CD1-CD2 4.22Å; I824-L848 PolarHBondContact N-O 3.14Å; I824-L848 PolarHBondContact O-N 3.23Å; I824-P850 HydrophobicContact CD1-CB 4.46Å; I824-W855 HydrophobicContact CB-CH2 4.47Å; I824-W855 HydrophobicContact CG2-CH2 3.97Å
825	V	92	Very high	81.4	Confident	1 Å²	1	23.6 Å²	23.6	1%	0.006	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	130.5	-176.4	-177.3	0	0	0	0	109.8	A815 N816 L818 L823 I827 V845 A847 I858 L911	A815-V825 CarbonylContact C-O 3.58Å; A815-V825 WeakPolarHBondContact CA-O 3.24Å; A815-V825 VanDerWaalsContact CB-O 3.25Å; A815-V825 WeakPolarHBondContact CB-O 3.31Å; N816-V825 PolarHBondContact N-O 3.41Å; N816-V825 VanDerWaalsContact N-O 3.08Å; N816-V825 PolarHBondContact O-N 3.4Å; L818-V825 HydrophobicContact CB-CG2 3.95Å; L818-V825 HydrophobicContact CD2-CG2 4.4Å; L823-V825 HydrophobicContact CB-CG2 4.13Å; V825-I827 HydrophobicContact CG1-CD1 3.9Å; V825-I827 HydrophobicContact CG1-CG1 3.82Å; V825-V845 HydrophobicContact CG1-CG1 4.35Å; V825-A847 HydrophobicContact CG2-CB 4.26Å; V825-I858 HydrophobicContact CG1-CD1 3.7Å; V825-L911 HydrophobicContact CB-CD1 4.32Å; V825-L911 HydrophobicContact CG2-CD1 4.32Å
826	V	93.3	Very high	78.5	Confident	1 Å²	1	29.2 Å²	29.2	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	132.9	177	177.6	0	0	0	0	109.7	M806 A813 A815 E846 W855	M806-V826 HydrophobicContact SD-CB 4.48Å; M806-V826 HydrophobicContact SD-CG1 3.99Å; M806-V826 HydrophobicContact SD-CG2 4.23Å; A813-V826 HydrophobicContact CB-CG1 4.04Å; A815-V826 HydrophobicContact CB-CG2 3.93Å; V826-E846 HydrophobicContact CB-CG 4.24Å; V826-E846 PolarHBondContact N-O 2.88Å; V826-E846 PolarHBondContact O-N 2.94Å; V826-W855 HydrophobicContact CB-CZ3 4.1Å; V826-W855 HydrophobicContact CG2-CH2 3.53Å; V826-W855 HydrophobicContact CG2-CZ3 3.56Å
827	I	91.4	Very high	76.2	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	130.5	-167.3	-44.1	-162	0	0	0	111.3	A813 C814 V825 T844 V845 L874 L913 W936	A813-I827 WeakPolarHBondContact CA-O 3.47Å; A813-I827 WeakPolarHBondContact CB-O 3.37Å; C814-I827 PolarHBondContact N-O 3.36Å; C814-I827 PolarHBondContact O-N 2.83Å; C814-I827 PolarHBondContact SG-O 2.91Å; V825-I827 HydrophobicContact CG1-CD1 3.9Å; V825-I827 HydrophobicContact CG1-CG1 3.82Å; I827-T844 CarbonylContact C-O 3.56Å; I827-V845 HydrophobicContact CB-CG1 4.4Å; I827-V845 HydrophobicContact CD1-CG1 4.06Å; I827-V845 HydrophobicContact CG1-CG1 3.83Å; I827-V845 HydrophobicContact CG2-CG1 4.28Å; I827-V845 HydrophobicContact CG2-CG2 4.25Å; I827-L874 HydrophobicContact CD1-CD1 3.8Å; I827-L874 HydrophobicContact CD1-CD2 3.43Å; I827-L874 VanDerWaalsContact CD1-CD2 3.43Å; I827-L874 HydrophobicContact CD1-CG 4.27Å; I827-L874 HydrophobicContact CG1-CD2 3.7Å; I827-L913 HydrophobicContact CG2-CD1 4.02Å; I827-L913 HydrophobicContact CG2-CD2 4.13Å; I827-W936 HydrophobicContact CD1-CH2 3.62Å; I827-W936 HydrophobicContact CD1-CZ2 3.84Å
828	G	87.9	Confident	73.5	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	80.5	-133.9	169.6	0	0	0	0	0	113.8	T844 I869	G828-T844 PolarHBondContact N-O 3.01Å; G828-I869 CarbonylContact C-O 3.6Å; G828-I869 WeakPolarHBondContact CA-O 3.44Å
829	G	87.8	Confident	71.3	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.01	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	75.2	-169.8	-174.8	0	0	0	0	0	115.1	R811 E812 I869	R811-G829 CarbonylContact O-C 3.58Å; R811-G829 WeakPolarHBondContact O-CA 3.46Å; E812-G829 WeakPolarHBondContact O-CA 3.24Å; G829-I869 PolarHBondContact N-O 3.39Å
830	V	86	Confident	69.4	Low	11 Å²	11	52.4 Å²	52.4	7%	0.067	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	123	171	-159.8	0	0	0	0	108.8	F786 R810 R811 R870	F786-V830 WeakPolarHBondContact CD2-O 3.21Å; F786-V830 HydrophobicContact CE2-CB 4.05Å; F786-V830 HydrophobicContact CE2-CG1 3.88Å; F786-V830 HydrophobicContact CZ-CG1 4.46Å; R810-V830 WeakPolarHBondContact CA-O 3.46Å; R811-V830 HydrophobicContact CG-CB 3.87Å; R811-V830 HydrophobicContact CG-CG2 4Å; R811-V830 PolarHBondContact N-O 3.31Å; R811-V830 PolarHBondContact O-N 3.49Å; V830-R870 VanDerWaalsContact CG2-CD 3.4Å; V830-R870 HydrophobicContact CG2-CG 3.74Å; V830-R870 VanDerWaalsContact CG2-NE 3.34Å
831	V	82.7	Confident	68.2	Low	40 Å²	40	60.5 Å²	60.5	24%	0.242	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	147.6	175.2	175.5	0	0	0	0	110.2	Q808 G809 R810 T833	Q808-V831 HydrophobicContact CB-CG1 4.13Å; Q808-V831 HydrophobicContact CB-CG2 4.47Å; Q808-V831 HydrophobicContact CG-CG1 4.49Å; G809-V831 WeakPolarHBondContact O-CA 3.34Å; R810-V831 HydrophobicContact CG-CG2 4.31Å; V831-T833 PolarHBondContact O-N 3.19Å
832	N	69.3	Low	67.2	Low	40 Å²	40	63.5 Å²	63.5	21%	0.214	35%	0.353	C	S	.	.			trans	-74	116.5	172.6	-176.4	0.2	0	0	0	111	F786 G809 N834 T835	F786-N832 HydrophobicContact CB-CB 4.34Å; F786-N832 HydrophobicContact CD2-CB 3.97Å; F786-N832 HydrophobicContact CG-CB 4.41Å; G809-N832 PolarHBondContact O-N 3.07Å; N832-N834 PolarHBondContact O-N 3.4Å; N832-N834 WeakPolarHBondContact OD1-CB 3.46Å; N832-N834 PolarHBondContact OD1-N 3.01Å; N832-T835 PolarHBondContact O-OG1 3.06Å
833	T	61.6	Low	66.1	Low	126 Å²	126	64.9 Å²	64.9	77%	0.773	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-14	179	49.9	0	0	0	0	114.4	V831	V831-T833 PolarHBondContact O-N 3.19Å
834	N	53.8	Low	65.5	Low	129 Å²	129	64.9 Å²	64.9	69%	0.69	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-5.4	-173.4	-63	1.3	0	0	0	113.6	N832 T836	N832-N834 PolarHBondContact O-N 3.4Å; N832-N834 WeakPolarHBondContact OD1-CB 3.46Å; N832-N834 PolarHBondContact OD1-N 3.01Å; N834-T836 PolarHBondContact O-N 3.03Å
835	T	47.4	Very low	65.3	Low	62 Å²	62	64.9 Å²	64.9	38%	0.38	36%	0.361	S	S	.	.	S	Bend	trans	-80.5	106.5	168.9	51.5	0	0	0	0	109.5	N832 Y837	N832-T835 PolarHBondContact O-OG1 3.06Å; T835-Y837 PolarHBondContact O-N 3.47Å
836	T	34.5	Very low	65.3	Low	129 Å²	129	64.8 Å²	64.8	79%	0.791	36%	0.36	S	S	*	.			trans	-76	45.6	-171.4	56.4	0	0	0	0	114.2	N834	N834-T836 PolarHBondContact O-N 3.03Å
837	Y	41.6	Very low	65.2	Low	187 Å²	187	64.8 Å²	64.8	73%	0.733	36%	0.36	S	S	*	.			trans	-92.7	109.1	175.9	-66.8	-64.8	0	0	0	110.3	T835 T839	T835-Y837 PolarHBondContact O-N 3.47Å; Y837-T839 PolarHBondContact O-N 2.84Å
838	T	32.6	Very low	65.2	Low	148 Å²	148	64.7 Å²	64.7	91%	0.908	36%	0.36	S	S	*	.			trans	-76.3	59.3	-174.6	49.6	0	0	0	0	112.9
839	T	41.1	Very low	65.1	Low	95 Å²	95	64.7 Å²	64.7	58%	0.583	36%	0.36	S	S	*	.	S	Bend	trans	-113.3	149.5	167.2	55.7	0	0	0	0	110.1	Y837 Q841	Y837-T839 PolarHBondContact O-N 2.84Å; T839-Q841 PolarHBondContact O-N 3.14Å
840	S	40.8	Very low	64.8	Low	108 Å²	108	64.9 Å²	64.9	76%	0.755	36%	0.361	S	S	*	.			trans	-76.7	79.3	-157	38.7	0	0	0	0	115.5	N842	S840-N842 PolarHBondContact O-N 3.03Å
841	Q	48.7	Very low	64.4	Low	183 Å²	183	66.5 Å²	66.5	86%	0.855	37%	0.366	S	S	*	.	S	Bend	trans	47.8	-15.1	149.4	-75.5	-170.5	-24.8	0	0	122.6	T839	T839-Q841 PolarHBondContact O-N 3.14Å
842	N	58.6	Low	64.3	Low	71 Å²	71	65.2 Å²	65.2	38%	0.38	36%	0.359	S	S	.	.			trans	-122.3	16.8	-167.2	-78.8	-24.6	0	0	0	114.6	S840 T844 N860 G867	S840-N842 PolarHBondContact O-N 3.03Å; N842-T844 PolarHBondContact O-N 3.04Å; N842-N860 VanDerWaalsContact O-CG 3.31Å; N842-N860 PolarHBondContact O-ND2 2.93Å; N842-N860 PolarHBondContact O-OD1 3.46Å; N842-G867 WeakPolarHBondContact OD1-CA 3.47Å; N842-G867 PolarHBondContact OD1-N 2.77Å
843	V	58	Low	65	Low	28 Å²	28	69 Å²	69	17%	0.17	38%	0.379	C	S	.	.			trans	-91.8	97.9	-177.4	-164.9	0	0	0	0	112.1	R810 Y857 N860	R810-V843 PolarHBondContact NH1-O 3.45Å; V843-Y857 HydrophobicContact CB-CD1 4.28Å; V843-Y857 HydrophobicContact CB-CE1 4.32Å; V843-Y857 HydrophobicContact CG1-CD1 3.27Å; V843-Y857 HydrophobicContact CG1-CE1 3.76Å; V843-Y857 HydrophobicContact CG1-CG 3.69Å; V843-N860 WeakPolarHBondContact CA-OD1 3.16Å
844	T	74.4	Confident	66.2	Low	1 Å²	1	66.4 Å²	66.4	1%	0.006	36%	0.363	C	S	.	.			trans	-95.6	-8	-178.1	45.9	0	0	0	0	114.4	I827 G828 N842 N860 N864 G867	I827-T844 CarbonylContact C-O 3.56Å; G828-T844 PolarHBondContact N-O 3.01Å; N842-T844 PolarHBondContact O-N 3.04Å; T844-N860 PolarHBondContact N-OD1 3.2Å; T844-N864 WeakPolarHBondContact CG2-ND2 3.34Å; T844-G867 WeakPolarHBondContact CG2-O 3.5Å
845	V	88.2	Confident	67.9	Low	0 Å²	0	60.7 Å²	60.7	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	125	-166.6	-151.5	0	0	0	0	111.7	V825 I827 I858 W936	V825-V845 HydrophobicContact CG1-CG1 4.35Å; I827-V845 HydrophobicContact CB-CG1 4.4Å; I827-V845 HydrophobicContact CD1-CG1 4.06Å; I827-V845 HydrophobicContact CG1-CG1 3.83Å; I827-V845 HydrophobicContact CG2-CG1 4.28Å; I827-V845 HydrophobicContact CG2-CG2 4.25Å; V845-I858 HydrophobicContact CB-CG1 3.77Å; V845-I858 HydrophobicContact CG1-CD1 3.6Å; V845-I858 HydrophobicContact CG1-CG1 3.33Å; V845-I858 PolarHBondContact O-N 2.95Å; V845-I858 VanDerWaalsContact O-N 3.07Å; V845-W936 HydrophobicContact CG1-CZ2 4.42Å
846	E	90.9	Very high	69.8	Low	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	156	-179.7	64.9	-162.7	179.1	0	0	111.4	M806 R810 V826 W855 F856 Y857	M806-E846 WeakPolarHBondContact CB-OE1 3.43Å; R810-E846 IonicContact CZ-OE1 2.87Å; R810-E846 IonicContact CZ-OE2 3.71Å; R810-E846 VanDerWaalsContact NE-CD 3.27Å; R810-E846 IonicContact NE-OE1 2.68Å; R810-E846 PolarHBondContact NE-OE1 3.37Å; R810-E846 IonicContact NE-OE2 2.97Å; R810-E846 IonicContact NH2-OE1 3.05Å; R810-E846 IonicContact NH2-OE2 3.36Å; R810-E846 PolarHBondContact NH2-OE2 2.93Å; V826-E846 HydrophobicContact CB-CG 4.24Å; V826-E846 PolarHBondContact N-O 2.88Å; V826-E846 PolarHBondContact O-N 2.94Å; E846-W855 HydrophobicContact CB-CE3 4.4Å; E846-W855 HydrophobicContact CG-CE3 3.92Å; E846-W855 HydrophobicContact CG-CZ3 4.37Å; E846-F856 CarbonylContact C-O 3.6Å; E846-F856 VanDerWaalsContact CA-O 3.28Å; E846-F856 WeakPolarHBondContact CA-O 3.27Å; E846-Y857 HydrophobicContact CB-CD1 4.11Å
847	A	91.7	Very high	72.2	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	151.5	-176.9	0	0	0	0	0	111.9	L823 I824 V825 W855 F856 I858	L823-A847 HydrophobicContact CB-CB 4.35Å; L823-A847 HydrophobicContact CD1-CB 4.24Å; I824-A847 CarbonylContact O-C 3.55Å; I824-A847 WeakPolarHBondContact O-CA 3.36Å; V825-A847 HydrophobicContact CG2-CB 4.26Å; A847-W855 CarbonylContact O-C 3.5Å; A847-W855 WeakPolarHBondContact O-CA 3.35Å; A847-F856 HydrophobicContact CB-CE1 4.27Å; A847-F856 HydrophobicContact CB-CE2 4.17Å; A847-F856 HydrophobicContact CB-CZ 3.96Å; A847-F856 PolarHBondContact N-O 3.4Å; A847-F856 VanDerWaalsContact O-CD1 3.31Å; A847-F856 WeakPolarHBondContact O-CD1 3.41Å; A847-F856 PolarHBondContact O-N 2.7Å; A847-I858 HydrophobicContact CB-CG2 3.7Å
848	L	90.9	Very high	74.3	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	123.2	170.5	-179.5	64.2	0	0	0	109.2	M803 P804 L823 I824 T854 W855	M803-L848 HydrophobicContact CE-CD2 4.32Å; P804-L848 HydrophobicContact CB-CD1 4.13Å; P804-L848 HydrophobicContact CB-CD2 4.3Å; P804-L848 HydrophobicContact CG-CD1 4.3Å; P804-L848 HydrophobicContact CG-CD2 4.43Å; L823-L848 WeakPolarHBondContact CA-O 3.31Å; I824-L848 HydrophobicContact CB-CB 4.43Å; I824-L848 HydrophobicContact CD1-CD2 4.22Å; I824-L848 PolarHBondContact N-O 3.14Å; I824-L848 PolarHBondContact O-N 3.23Å; L848-T854 WeakPolarHBondContact CD1-O 3.46Å; L848-W855 HydrophobicContact CB-CD2 3.64Å; L848-W855 HydrophobicContact CB-CE3 3.77Å; L848-W855 HydrophobicContact CB-CG 4.22Å; L848-W855 HydrophobicContact CB-CH2 3.84Å; L848-W855 HydrophobicContact CB-CZ2 3.73Å; L848-W855 HydrophobicContact CB-CZ3 3.87Å; L848-W855 HydrophobicContact CD1-CG 4.37Å; L848-W855 HydrophobicContact CD2-CZ2 3.9Å; L848-W855 HydrophobicContact CG-CZ2 4.43Å
849	D	85.6	Confident	76.6	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.232	C	C	.	.			trans	-76.8	119.1	154.9	175.3	-2.3	0	0	0	106.9	L531 L823 R851 C852 F856	L531-D849 PolarHBondContact N-OD2 2.97Å; L823-D849 HydrophobicContact CD2-CB 3.8Å; D849-R851 PolarHBondContact O-N 3.2Å; D849-R851 IonicContact OD1-CZ 2.71Å; D849-R851 PolarHBondContact OD1-N 3.34Å; D849-R851 VanDerWaalsContact OD1-N 3.1Å; D849-R851 IonicContact OD1-NE 2.62Å; D849-R851 PolarHBondContact OD1-NE 3.49Å; D849-R851 IonicContact OD1-NH2 3.91Å; D849-R851 PolarHBondContact OD1-NH2 3.25Å; D849-R851 IonicContact OD2-CZ 2.66Å; D849-R851 IonicContact OD2-NE 3.69Å; D849-R851 IonicContact OD2-NH2 3.83Å; D849-R851 PolarHBondContact OD2-NH2 3.44Å; D849-C852 HydrophobicContact CB-CB 4.27Å; D849-C852 WeakPolarHBondContact O-CB 3.25Å; D849-C852 PolarHBondContact O-N 3.43Å; D849-F856 HydrophobicContact CB-CE1 4.5Å
850	P	82.5	Confident	78.5	Confident	4 Å²	4	40.9 Å²	40.9	3%	0.026	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-9.9	-176.3	29.9	-40.1	0	0	0	113.8	L762 Q764 P766 N822 I824	L762-P850 HydrophobicContact CD1-CB 4.33Å; L762-P850 HydrophobicContact CD1-CG 4.09Å; L762-P850 HydrophobicContact CD2-CG 4.26Å; Q764-P850 VanDerWaalsContact O-CG 3.29Å; Q764-P850 WeakPolarHBondContact O-CG 3.42Å; P766-P850 WeakPolarHBondContact CD-O 3.48Å; N822-P850 WeakPolarHBondContact ND2-CG 3.14Å; N822-P850 WeakPolarHBondContact O-CD 3.32Å; I824-P850 HydrophobicContact CD1-CB 4.46Å
851	R	78.1	Confident	80.2	Confident	45 Å²	45	36 Å²	36	17%	0.17	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-3.9	172.5	-62.3	161.6	-66.5	153.7	21	113.5	N530 A534 D849	N530-R851 HydrophobicContact CB-CB 4.36Å; N530-R851 PolarHBondContact ND2-O 2.94Å; N530-R851 PolarHBondContact O-NH1 3.42Å; N530-R851 PolarHBondContact O-NH2 2.94Å; A534-R851 VanDerWaalsContact N-NH1 3.18Å; D849-R851 PolarHBondContact O-N 3.2Å; D849-R851 IonicContact OD1-CZ 2.71Å; D849-R851 PolarHBondContact OD1-N 3.34Å; D849-R851 VanDerWaalsContact OD1-N 3.1Å; D849-R851 IonicContact OD1-NE 2.62Å; D849-R851 PolarHBondContact OD1-NE 3.49Å; D849-R851 IonicContact OD1-NH2 3.91Å; D849-R851 PolarHBondContact OD1-NH2 3.25Å; D849-R851 IonicContact OD2-CZ 2.66Å; D849-R851 IonicContact OD2-NE 3.69Å; D849-R851 IonicContact OD2-NH2 3.83Å; D849-R851 PolarHBondContact OD2-NH2 3.44Å
852	C	80.2	Confident	81.2	Confident	14 Å²	14	29.9 Å²	29.9	10%	0.095	16%	0.162	C	C	.	.	S	Bend	trans	-103.8	151.8	175.3	-65	0	0	0	0	110.4	D849 T854	D849-C852 HydrophobicContact CB-CB 4.27Å; D849-C852 WeakPolarHBondContact O-CB 3.25Å; D849-C852 PolarHBondContact O-N 3.43Å; C852-T854 VanDerWaalsContact C-N 3.26Å
853	D	84	Confident	81.3	Confident	120 Å²	120	29.7 Å²	29.7	64%	0.642	18%	0.176	S	C	*	.	S	Bend	trans	-80	-6.9	175.5	64.6	-21.7	0	0	0	113.3	P804	P804-D853 VanDerWaalsContact CB-O 3.29Å; P804-D853 WeakPolarHBondContact CB-O 3.35Å; P804-D853 WeakPolarHBondContact CG-O 3.19Å
854	T	86.4	Confident	81.4	Confident	71 Å²	71	29.3 Å²	29.3	44%	0.436	17%	0.173	S	C	.	.	S	Bend	trans	-140.3	137.7	-163.7	39.3	0	0	0	0	111.9	L848 C852	L848-T854 WeakPolarHBondContact CD1-O 3.46Å; C852-T854 VanDerWaalsContact C-N 3.26Å
855	W	90.1	Very high	80.2	Confident	8 Å²	8	33.8 Å²	33.8	3%	0.03	21%	0.205	C	C	.	.			trans	-76.9	153.7	169.5	-72.3	76.2	0	0	0	110.5	V790 P804 S805 M806 L807 I824 V826 E846 A847 L848	V790-W855 HydrophobicContact CG2-CZ2 4.01Å; P804-W855 PolarHBondContact O-NE1 2.93Å; S805-W855 VanDerWaalsContact C-CD1 3.47Å; M806-W855 HydrophobicContact CG-CD2 4.16Å; M806-W855 HydrophobicContact CG-CH2 4.36Å; M806-W855 HydrophobicContact CG-CZ2 3.95Å; L807-W855 HydrophobicContact CD1-CB 4.48Å; L807-W855 HydrophobicContact CD2-CB 4.18Å; L807-W855 WeakPolarHBondContact CD2-O 3.47Å; L807-W855 HydrophobicContact CG-CB 3.82Å; I824-W855 HydrophobicContact CB-CH2 4.47Å; I824-W855 HydrophobicContact CG2-CH2 3.97Å; V826-W855 HydrophobicContact CB-CZ3 4.1Å; V826-W855 HydrophobicContact CG2-CH2 3.53Å; V826-W855 HydrophobicContact CG2-CZ3 3.56Å; E846-W855 HydrophobicContact CB-CE3 4.4Å; E846-W855 HydrophobicContact CG-CE3 3.92Å; E846-W855 HydrophobicContact CG-CZ3 4.37Å; A847-W855 CarbonylContact O-C 3.5Å; A847-W855 WeakPolarHBondContact O-CA 3.35Å; L848-W855 HydrophobicContact CB-CD2 3.64Å; L848-W855 HydrophobicContact CB-CE3 3.77Å; L848-W855 HydrophobicContact CB-CG 4.22Å; L848-W855 HydrophobicContact CB-CH2 3.84Å; L848-W855 HydrophobicContact CB-CZ2 3.73Å; L848-W855 HydrophobicContact CB-CZ3 3.87Å; L848-W855 HydrophobicContact CD1-CG 4.37Å; L848-W855 HydrophobicContact CD2-CZ2 3.9Å; L848-W855 HydrophobicContact CG-CZ2 4.43Å
856	F	86.1	Confident	78.8	Confident	36 Å²	36	38.1 Å²	38.1	16%	0.158	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	150.6	175.2	62.8	-85.7	0	0	0	111.9	I416 L531 L823 E846 A847 D849 I858 W934	I416-F856 HydrophobicContact CD1-CD2 4.19Å; I416-F856 HydrophobicContact CD1-CE2 4.29Å; L531-F856 HydrophobicContact CD1-CE1 4.12Å; L531-F856 HydrophobicContact CD1-CE2 4.2Å; L531-F856 HydrophobicContact CD1-CZ 3.64Å; L823-F856 HydrophobicContact CD1-CE2 4.48Å; L823-F856 HydrophobicContact CD1-CZ 3.81Å; L823-F856 HydrophobicContact CD2-CE1 3.99Å; L823-F856 HydrophobicContact CD2-CZ 3.74Å; L823-F856 HydrophobicContact CG-CZ 4.43Å; E846-F856 CarbonylContact C-O 3.6Å; E846-F856 VanDerWaalsContact CA-O 3.28Å; E846-F856 WeakPolarHBondContact CA-O 3.27Å; A847-F856 HydrophobicContact CB-CE1 4.27Å; A847-F856 HydrophobicContact CB-CE2 4.17Å; A847-F856 HydrophobicContact CB-CZ 3.96Å; A847-F856 PolarHBondContact N-O 3.4Å; A847-F856 VanDerWaalsContact O-CD1 3.31Å; A847-F856 WeakPolarHBondContact O-CD1 3.41Å; A847-F856 PolarHBondContact O-N 2.7Å; D849-F856 HydrophobicContact CB-CE1 4.5Å; F856-I858 HydrophobicContact CD2-CG2 3.92Å; F856-I858 HydrophobicContact CE2-CG2 3.66Å; F856-W934 HydrophobicContact CE2-CH2 4.39Å
857	Y	86.4	Confident	77.5	Confident	48 Å²	48	38.7 Å²	38.7	19%	0.188	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	138.3	178.5	-62.3	-62.7	0	0	0	111.9	R417 L807 Q808 V843 E846	R417-Y857 VanDerWaalsContact NH2-CB 3.33Å; R417-Y857 VanDerWaalsContact NH2-CD2 3.32Å; L807-Y857 HydrophobicContact CB-CE1 4.1Å; L807-Y857 HydrophobicContact CD1-CD1 3.9Å; L807-Y857 HydrophobicContact CD1-CD2 3.78Å; L807-Y857 HydrophobicContact CD1-CE1 3.64Å; L807-Y857 HydrophobicContact CD1-CE2 3.51Å; L807-Y857 HydrophobicContact CD1-CG 3.98Å; L807-Y857 VanDerWaalsContact CD1-CZ 3.44Å; L807-Y857 HydrophobicContact CG-CE1 4.48Å; Q808-Y857 PolarHBondContact NE2-OH 3.39Å; V843-Y857 HydrophobicContact CB-CD1 4.28Å; V843-Y857 HydrophobicContact CB-CE1 4.32Å; V843-Y857 HydrophobicContact CG1-CD1 3.27Å; V843-Y857 HydrophobicContact CG1-CE1 3.76Å; V843-Y857 HydrophobicContact CG1-CG 3.69Å; E846-Y857 HydrophobicContact CB-CD1 4.11Å
858	I	84.5	Confident	76.6	Confident	9 Å²	9	41.2 Å²	41.2	5%	0.046	24%	0.241	C	C	.	.			trans	-112.7	170.8	174.4	74.8	170	0	0	0	110.2	V825 V845 A847 F856 N860 F929 W934	V825-I858 HydrophobicContact CG1-CD1 3.7Å; V845-I858 HydrophobicContact CB-CG1 3.77Å; V845-I858 HydrophobicContact CG1-CD1 3.6Å; V845-I858 HydrophobicContact CG1-CG1 3.33Å; V845-I858 PolarHBondContact O-N 2.95Å; V845-I858 VanDerWaalsContact O-N 3.07Å; A847-I858 HydrophobicContact CB-CG2 3.7Å; F856-I858 HydrophobicContact CD2-CG2 3.92Å; F856-I858 HydrophobicContact CE2-CG2 3.66Å; I858-N860 PolarHBondContact O-N 3.22Å; I858-F929 HydrophobicContact CD1-CE2 4.49Å; I858-F929 HydrophobicContact CD1-CZ 4.24Å; I858-W934 HydrophobicContact CB-CZ3 4.02Å; I858-W934 HydrophobicContact CG2-CZ3 3.79Å
859	P	81.7	Confident	76.4	Confident	52 Å²	52	41.5 Å²	41.5	34%	0.338	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-58.2	135.4	-176.8	-29.4	39.5	0	0	0	113.4	W934 W936	P859-W934 HydrophobicContact CG-CB 4.49Å; P859-W934 WeakPolarHBondContact CG-O 3.31Å; P859-W936 PolarHBondContact O-NE1 3.12Å
860	N	80.7	Confident	76.6	Confident	60 Å²	60	44.8 Å²	44.8	32%	0.321	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-72.8	152.1	-179.2	-67.6	-45.7	0	0	0	112.6	N842 V843 T844 I858	N842-N860 VanDerWaalsContact O-CG 3.31Å; N842-N860 PolarHBondContact O-ND2 2.93Å; N842-N860 PolarHBondContact O-OD1 3.46Å; V843-N860 WeakPolarHBondContact CA-OD1 3.16Å; T844-N860 PolarHBondContact N-OD1 3.2Å; I858-N860 PolarHBondContact O-N 3.22Å
861	T	76	Confident	76.9	Confident	5 Å²	5	45 Å²	45	3%	0.031	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-58.5	128.5	168	49.9	0	0	0	0	111.1	I869 L913 W936	T861-I869 HydrophobicContact CG2-CD1 4.01Å; T861-I869 VanDerWaalsContact OG1-CD1 3.26Å; T861-I869 WeakPolarHBondContact OG1-CD1 3.33Å; T861-L913 HydrophobicContact CG2-CD2 3.46Å; T861-L913 VanDerWaalsContact CG2-CD2 3.46Å; T861-W936 HydrophobicContact CG2-CD2 4.09Å; T861-W936 HydrophobicContact CG2-CE3 4.4Å; T861-W936 HydrophobicContact CG2-CH2 4.07Å; T861-W936 HydrophobicContact CG2-CZ2 3.75Å; T861-W936 HydrophobicContact CG2-CZ3 4.38Å
862	P	70.5	Confident	77.6	Confident	55 Å²	55	43.2 Å²	43.2	36%	0.357	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	158.1	177.2	-22	32.4	0	0	0	112.6	N864 W927 W936	P862-N864 PolarHBondContact O-N 3.39Å; P862-W927 HydrophobicContact CB-CE3 4.43Å; P862-W927 HydrophobicContact CB-CH2 3.71Å; P862-W927 HydrophobicContact CB-CZ2 4.3Å; P862-W927 HydrophobicContact CB-CZ3 3.78Å; P862-W927 HydrophobicContact CG-CE3 4.02Å; P862-W927 HydrophobicContact CG-CH2 4.15Å; P862-W927 HydrophobicContact CG-CZ3 3.67Å; P862-W936 HydrophobicContact CG-CB 3.88Å
863	G	60.3	Low	78.2	Confident	67 Å²	67	43.4 Å²	43.4	69%	0.691	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	-8.1	176.5	0	0	0	0	0	116.1	S865	G863-S865 PolarHBondContact O-N 3.08Å
864	N	60.1	Low	78.6	Confident	20 Å²	20	38.2 Å²	38.2	11%	0.107	23%	0.227	C	C	.	.			trans	-78.3	68.8	176.9	-174.8	17.9	0	0	0	112.6	T844 P862 F866 G867 Q868 I869	T844-N864 WeakPolarHBondContact CG2-ND2 3.34Å; P862-N864 PolarHBondContact O-N 3.39Å; N864-F866 PolarHBondContact O-N 2.99Å; N864-F866 PolarHBondContact OD1-N 2.98Å; N864-G867 PolarHBondContact O-N 3.04Å; N864-G867 PolarHBondContact OD1-N 2.85Å; N864-G867 VanDerWaalsContact OD1-N 3.16Å; N864-Q868 PolarHBondContact ND2-N 2.91Å; N864-Q868 PolarHBondContact ND2-O 2.84Å; N864-Q868 PolarHBondContact OD1-N 2.82Å; N864-Q868 PolarHBondContact OD1-O 2.75Å; N864-I869 HydrophobicContact CB-CD1 4.4Å
865	S	49.8	Very low	78.8	Confident	95 Å²	95	35.3 Å²	35.3	66%	0.664	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-10.3	176.4	-54.1	0	0	0	0	114.2	G863	G863-S865 PolarHBondContact O-N 3.08Å
866	F	58.5	Low	78.6	Confident	92 Å²	92	37 Å²	37	40%	0.404	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	1.1	-174.7	-59.1	-73.8	0	0	0	113.4	N864 Q868 N918 Q920	N864-F866 PolarHBondContact O-N 2.99Å; N864-F866 PolarHBondContact OD1-N 2.98Å; F866-Q868 PolarHBondContact O-N 2.85Å; F866-N918 WeakPolarHBondContact CB-O 3.4Å; F866-N918 HydrophobicContact CD2-CB 4.23Å; F866-Q920 HydrophobicContact CE1-CB 4.42Å; F866-Q920 HydrophobicContact CE2-CB 4.39Å; F866-Q920 HydrophobicContact CZ-CB 4.21Å
867	G	62.5	Low	78.5	Confident	11 Å²	11	35.7 Å²	35.7	11%	0.113	21%	0.21	C	C	.	.	S	Bend	trans	68.9	11	172.2	0	0	0	0	0	116	N842 T844 N864	N842-G867 WeakPolarHBondContact OD1-CA 3.47Å; N842-G867 PolarHBondContact OD1-N 2.77Å; T844-G867 WeakPolarHBondContact CG2-O 3.5Å; N864-G867 PolarHBondContact O-N 3.04Å; N864-G867 PolarHBondContact OD1-N 2.85Å; N864-G867 VanDerWaalsContact OD1-N 3.16Å
868	Q	74.7	Confident	77.9	Confident	54 Å²	54	33.8 Å²	33.8	25%	0.252	20%	0.204	S	C	.	.			trans	-142.1	145	-174.5	-60.7	177.3	29	0	0	111.1	N864 F866 R870 N918	N864-Q868 PolarHBondContact ND2-N 2.91Å; N864-Q868 PolarHBondContact ND2-O 2.84Å; N864-Q868 PolarHBondContact OD1-N 2.82Å; N864-Q868 PolarHBondContact OD1-O 2.75Å; F866-Q868 PolarHBondContact O-N 2.85Å; Q868-R870 VanDerWaalsContact OE1-CZ 3.26Å; Q868-N918 CarbonylContact O-C 3.56Å; Q868-N918 VanDerWaalsContact O-CA 3.3Å; Q868-N918 WeakPolarHBondContact O-CA 3.35Å
869	I	86.7	Confident	76.9	Confident	6 Å²	6	34.3 Å²	34.3	3%	0.031	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-140.2	93.4	168.4	-60.5	-176.6	0	0	0	107.4	G828 G829 T861 N864 A872 L913	G828-I869 CarbonylContact C-O 3.6Å; G828-I869 WeakPolarHBondContact CA-O 3.44Å; G829-I869 PolarHBondContact N-O 3.39Å; T861-I869 HydrophobicContact CG2-CD1 4.01Å; T861-I869 VanDerWaalsContact OG1-CD1 3.26Å; T861-I869 WeakPolarHBondContact OG1-CD1 3.33Å; N864-I869 HydrophobicContact CB-CD1 4.4Å; I869-A872 HydrophobicContact CG2-CB 3.61Å; I869-L913 HydrophobicContact CD1-CD2 4.21Å
870	R	89.1	Confident	75.4	Confident	69 Å²	69	35.3 Å²	35.3	26%	0.26	22%	0.215	S	C	.	.	B	Isolated β-bridge	trans	-89	127	-173.9	-45.4	-173.9	-174.1	-174.8	-0	110.9	E812 V830 Q868 A872 G916 Y917	E812-R870 HydrophobicContact CB-CB 4.38Å; V830-R870 VanDerWaalsContact CG2-CD 3.4Å; V830-R870 HydrophobicContact CG2-CG 3.74Å; V830-R870 VanDerWaalsContact CG2-NE 3.34Å; Q868-R870 VanDerWaalsContact OE1-CZ 3.26Å; R870-A872 VanDerWaalsContact C-N 3.29Å; R870-A872 PolarHBondContact O-N 3.3Å; R870-G916 CarbonylContact O-C 3.59Å; R870-G916 WeakPolarHBondContact O-CA 3.39Å; R870-Y917 HydrophobicContact CG-CD1 4.47Å; R870-Y917 PolarHBondContact N-O 3.24Å; R870-Y917 PolarHBondContact O-N 3.26Å
871	G	88.4	Confident	73.5	Confident	8 Å²	8	37 Å²	37	8%	0.082	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	59	36.1	174.3	0	0	0	0	0	113.9	E812 S948	E812-G871 PolarHBondContact O-N 3.34Å; G871-S948 WeakPolarHBondContact O-CA 3.32Å; G871-S948 PolarHBondContact O-N 3.44Å
872	A	92.7	Very high	71.2	Confident	8 Å²	8	40.3 Å²	40.3	7%	0.066	26%	0.255	C	S	.	.			trans	-68	167.3	157.8	0	0	0	0	0	109.7	C814 I869 R870 L913 V914 G915	C814-A872 WeakPolarHBondContact CB-O 3.43Å; I869-A872 HydrophobicContact CG2-CB 3.61Å; R870-A872 VanDerWaalsContact C-N 3.29Å; R870-A872 PolarHBondContact O-N 3.3Å; A872-L913 HydrophobicContact CB-CD1 3.63Å; A872-L913 HydrophobicContact CB-CG 4.23Å; A872-V914 WeakPolarHBondContact CA-O 3.25Å; A872-G915 WeakPolarHBondContact CB-O 3.33Å
873	S	92.6	Very high	69.3	Low	17 Å²	17	45.4 Å²	45.4	12%	0.119	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	151.9	168.9	-142.6	0	0	0	0	110.5	L913 V914 T951	S873-L913 CarbonylContact O-C 3.58Å; S873-L913 WeakPolarHBondContact O-CA 3.5Å; S873-V914 PolarHBondContact N-O 3.42Å; S873-V914 PolarHBondContact O-N 3.37Å; S873-T951 VanDerWaalsContact CB-OG1 3.3Å; S873-T951 WeakPolarHBondContact CB-OG1 3.3Å; S873-T951 PolarHBondContact OG-N 2.98Å; S873-T951 PolarHBondContact OG-OG1 2.92Å; S873-T951 VanDerWaalsContact OG-OG1 3.13Å
874	L	92.5	Very high	67.7	Low	12 Å²	12	50.2 Å²	50.2	6%	0.063	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	112.4	-175.9	-171.7	65.1	0	0	0	110.7	C814 N816 I827 L911 L912 L913	C814-L874 HydrophobicContact CB-CB 3.94Å; N816-L874 HydrophobicContact CB-CD2 3.95Å; N816-L874 HydrophobicContact CB-CG 4.04Å; N816-L874 PolarHBondContact ND2-O 3.03Å; I827-L874 HydrophobicContact CD1-CD1 3.8Å; I827-L874 HydrophobicContact CD1-CD2 3.43Å; I827-L874 VanDerWaalsContact CD1-CD2 3.43Å; I827-L874 HydrophobicContact CD1-CG 4.27Å; I827-L874 HydrophobicContact CG1-CD2 3.7Å; L874-L911 HydrophobicContact CD1-CB 3.96Å; L874-L911 HydrophobicContact CD2-CD1 4.46Å; L874-L912 WeakPolarHBondContact CA-O 3.16Å; L874-L913 HydrophobicContact CD1-CB 4.04Å; L874-L913 HydrophobicContact CD1-CD1 4.15Å
875	T	90.5	Very high	66.1	Low	9 Å²	9	53.2 Å²	53.2	6%	0.055	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	176.4	-175.4	-175.4	0	0	0	0	110.1	L911 L912 T951 N960	T875-L911 CarbonylContact O-C 3.56Å; T875-L911 WeakPolarHBondContact O-CA 3.32Å; T875-L912 HydrophobicContact CG2-CB 3.92Å; T875-L912 HydrophobicContact CG2-CD2 4.08Å; T875-L912 HydrophobicContact CG2-CG 4.3Å; T875-L912 PolarHBondContact N-O 2.61Å; T875-L912 PolarHBondContact O-N 3.03Å; T875-T951 WeakPolarHBondContact CB-OG1 3.35Å; T875-N960 WeakPolarHBondContact CB-OD1 3.39Å; T875-N960 WeakPolarHBondContact CG2-OD1 3.45Å; T875-N960 PolarHBondContact OG1-OD1 2.92Å
876	Y	86.9	Confident	65.2	Low	44 Å²	44	52.8 Å²	52.8	17%	0.173	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	146.8	167.9	-68.2	-88.9	0	0	0	109.9	V817 T819 D909 N910 L911 N960	V817-Y876 PolarHBondContact O-OH 3.03Å; T819-Y876 PolarHBondContact OG1-OH 2.72Å; T819-Y876 VanDerWaalsContact OG1-OH 3.04Å; Y876-D909 WeakPolarHBondContact CE1-OD1 3.36Å; Y876-N910 CarbonylContact C-O 3.56Å; Y876-L911 HydrophobicContact CD1-CD2 4.06Å; Y876-L911 HydrophobicContact CE1-CD2 4.13Å; Y876-L911 HydrophobicContact CG-CD2 4.5Å; Y876-N960 PolarHBondContact O-ND2 3.35Å
877	C	83.9	Confident	64.1	Low	8 Å²	8	54.3 Å²	54.3	5%	0.054	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-62.7	147.5	171.7	-70	0	0	0	0	111.6	S908 N910 I928	C877-S908 WeakPolarHBondContact CB-OG 3.4Å; C877-S908 PolarHBondContact O-OG 2.81Å; C877-N910 HydrophobicContact CB-CB 4.12Å; C877-N910 PolarHBondContact N-O 3.25Å; C877-I928 WeakPolarHBondContact SG-CG2 3.27Å
878	P	72.4	Confident	63.1	Low	8 Å²	8	56.5 Å²	56.5	5%	0.052	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-59	153.8	168.9	-15.8	30.2	0	0	0	111.4	S880 L953 N960	P878-S880 PolarHBondContact O-N 3.03Å; P878-L953 HydrophobicContact CB-CD1 4.47Å; P878-N960 WeakPolarHBondContact CD-ND2 3.42Å
879	N	63.8	Low	61.3	Low	21 Å²	21	55.9 Å²	55.9	11%	0.112	35%	0.346	C	S	.	.			trans	-81.2	83.3	-177.9	-69.5	-18.4	0	0	0	111.2	C905 T906 S908 Q957	N879-C905 WeakPolarHBondContact CB-SG 3.29Å; N879-C905 PolarHBondContact ND2-SG 2.9Å; N879-T906 WeakPolarHBondContact CB-O 3.5Å; N879-T906 VanDerWaalsContact CG-O 3.26Å; N879-T906 PolarHBondContact OD1-O 3.17Å; N879-S908 PolarHBondContact OD1-N 2.98Å; N879-Q957 PolarHBondContact N-O 3Å; N879-Q957 VanDerWaalsContact ND2-CB 3.3Å; N879-Q957 WeakPolarHBondContact ND2-CB 3.42Å; N879-Q957 PolarHBondContact ND2-OE1 2.83Å
880	S	50.6	Low	59	Low	73 Å²	73	57.1 Å²	57.1	51%	0.51	35%	0.352	S	S	.	.			trans	-64.8	144.7	172.2	62.1	0	0	0	0	111.8	P878	P878-S880 PolarHBondContact O-N 3.03Å
881	K	41.4	Very low	56.5	Low	95 Å²	95	55.6 Å²	55.6	41%	0.413	35%	0.35	S	S	.	.			trans	-71.9	150.8	-178.7	-85.4	-165.8	167.3	-172	0	112.9	H883 C902 H903 Y904	K881-H883 PolarHBondContact O-N 2.91Å; K881-C902 HydrophobicContact CD-CB 3.97Å; K881-C902 VanDerWaalsContact CE-O 3.23Å; K881-C902 WeakPolarHBondContact CE-O 3.49Å; K881-C902 PolarHBondContact NZ-SG 2.81Å; K881-H903 WeakPolarHBondContact CE-O 3.41Å; K881-H903 PolarHBondContact NZ-O 3.01Å; K881-Y904 WeakPolarHBondContact CE-O 3.24Å
882	G	27.4	Very low	54.2	Low	75 Å²	75	57.7 Å²	57.7	77%	0.773	36%	0.359	S	S	*	.	S	Bend	trans	-66.5	66	163.2	0	0	0	0	0	113.4
883	H	30	Very low	51.8	Low	162 Å²	162	60.1 Å²	60.1	75%	0.75	37%	0.367	S	S	*	.	S	Bend	trans	-132.7	129.9	164	-128.9	44.1	0	0	0	108.3	K881 G885	K881-H883 PolarHBondContact O-N 2.91Å; H883-G885 PolarHBondContact O-N 2.8Å
884	L	26.9	Very low	49.4	Very low	167 Å²	167	62.9 Å²	62.9	87%	0.874	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	122.6	-173.5	-64.4	82.1	0	0	0	109.6
885	G	26.4	Very low	46.9	Very low	84 Å²	84	67.3 Å²	67.3	87%	0.866	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.7	37.5	167.3	0	0	0	0	0	117.5	H883	H883-G885 PolarHBondContact O-N 2.8Å
886	A	31.2	Very low	44.2	Very low	85 Å²	85	69.1 Å²	69.1	70%	0.702	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-99.7	125.9	166.6	0	0	0	0	0	111.4
887	N	36.1	Very low	41.7	Very low	124 Å²	124	70.7 Å²	70.7	66%	0.663	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-76.4	123.6	-175.7	-72.7	-23.2	0	0	0	112.6	S889	N887-S889 PolarHBondContact O-N 3.36Å; N887-S889 PolarHBondContact O-OG 3.03Å
888	V	40.5	Very low	39.4	Very low	57 Å²	57	79.2 Å²	79.2	35%	0.345	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-62.1	124.7	162.9	-176.7	0	0	0	0	107.8	P940 I982 F983	V888-P940 HydrophobicContact CG1-CG 3.86Å; V888-I982 HydrophobicContact CG1-CG2 4.19Å; V888-F983 CarbonylContact C-O 3.54Å; V888-F983 WeakPolarHBondContact CA-O 3.45Å; V888-F983 WeakPolarHBondContact CG1-O 3.29Å
889	S	37.9	Very low	37.6	Very low	42 Å²	42	82.3 Å²	82.3	29%	0.294	49%	0.491	S	S	.	.			trans	-134.1	165.2	-170.4	-47.1	0	0	0	0	112.1	N887 F983	N887-S889 PolarHBondContact O-N 3.36Å; N887-S889 PolarHBondContact O-OG 3.03Å; S889-F983 PolarHBondContact N-O 2.99Å; S889-F983 WeakPolarHBondContact O-CD1 3.49Å; S889-F983 PolarHBondContact O-N 3.31Å
890	I	38.1	Very low	36.2	Very low	31 Å²	31	89.9 Å²	89.9	16%	0.159	52%	0.523	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	131.6	174.7	-71.3	171.7	0	0	0	108.2	P940 N941 L942 I943 M981 I982	I890-P940 HydrophobicContact CD1-CB 3.86Å; I890-P940 HydrophobicContact CD1-CG 3.76Å; I890-P940 HydrophobicContact CG1-CB 3.96Å; I890-P940 HydrophobicContact CG1-CG 3.86Å; I890-N941 WeakPolarHBondContact CD1-O 3.2Å; I890-L942 HydrophobicContact CD1-CD2 4.11Å; I890-I943 HydrophobicContact CG2-CD1 3.81Å; I890-I943 HydrophobicContact CG2-CG1 3.98Å; I890-M981 WeakPolarHBondContact CA-O 3.24Å; I890-I982 HydrophobicContact CD1-CD1 4.19Å; I890-I982 HydrophobicContact CD1-CG1 3.86Å; I890-I982 HydrophobicContact CD1-CG2 4.28Å; I890-I982 HydrophobicContact CG1-CB 4.15Å; I890-I982 HydrophobicContact CG1-CG1 3.88Å; I890-I982 HydrophobicContact CG1-CG2 3.96Å
891	V	36.9	Very low	35.4	Very low	37 Å²	37	88.6 Å²	88.6	22%	0.224	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	131.7	-179.9	166.6	0	0	0	0	108	D895 L896 F983	V891-D895 HydrophobicContact CG1-CB 4.09Å; V891-L896 HydrophobicContact CG1-CG 4.12Å; V891-F983 HydrophobicContact CB-CE1 4.12Å; V891-F983 HydrophobicContact CG2-CE1 3.71Å; V891-F983 HydrophobicContact CG2-CZ 4.03Å
892	N	39.5	Very low	34.9	Very low	52 Å²	52	88 Å²	88	28%	0.278	52%	0.52	S	S	.	.			trans	-69.4	140.5	169.8	-161.1	-0.3	0	0	0	108	C894 D895 I943	N892-C894 PolarHBondContact O-N 2.94Å; N892-D895 PolarHBondContact O-N 3.1Å; N892-I943 HydrophobicContact CB-CD1 3.68Å
893	Y	43.2	Very low	35	Very low	60 Å²	60	90.6 Å²	90.6	24%	0.235	51%	0.511	C	S	.	.	G	3₁₀ helix	trans	-57.6	-22.8	-170.5	-170.6	-91.5	0	0	0	113.8	L569 S626 D895 L896	L569-Y893 HydrophobicContact CB-CD1 4.39Å; L569-Y893 HydrophobicContact CB-CG 4.48Å; S626-Y893 WeakPolarHBondContact CA-OH 3.37Å; S626-Y893 WeakPolarHBondContact CB-OH 3.32Å; S626-Y893 PolarHBondContact N-OH 3.08Å; S626-Y893 WeakPolarHBondContact OG-CE2 3.38Å; S626-Y893 PolarHBondContact OG-OH 3.1Å; Y893-D895 VanDerWaalsContact C-N 3.35Å; Y893-D895 PolarHBondContact O-N 3.19Å; Y893-L896 HydrophobicContact CD2-CD1 3.64Å; Y893-L896 HydrophobicContact CE2-CD1 3.52Å; Y893-L896 HydrophobicContact CG-CD1 4.42Å
894	C	40.3	Very low	34.9	Very low	74 Å²	74	93.1 Å²	93.1	50%	0.5	52%	0.516	S	S	.	.	G	3₁₀ helix	trans	-71.6	-12.2	176.3	-62.6	0	0	0	0	116.5	N892	N892-C894 PolarHBondContact O-N 2.94Å
895	D	40.3	Very low	35	Very low	105 Å²	105	88.6 Å²	88.6	56%	0.561	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-105.8	14.6	-171.2	-80.6	-60.7	0	0	0	114.3	V891 N892 Y893 T897	V891-D895 HydrophobicContact CG1-CB 4.09Å; N892-D895 PolarHBondContact O-N 3.1Å; Y893-D895 VanDerWaalsContact C-N 3.35Å; Y893-D895 PolarHBondContact O-N 3.19Å; D895-T897 PolarHBondContact O-N 2.91Å
896	L	35.3	Very low	35.2	Very low	48 Å²	48	89.3 Å²	89.3	25%	0.251	49%	0.485	S	S	.	.			trans	-76.2	38	-166.7	-98.5	161.8	0	0	0	116.9	V891 Y893 M981	V891-L896 HydrophobicContact CG1-CG 4.12Å; Y893-L896 HydrophobicContact CD2-CD1 3.64Å; Y893-L896 HydrophobicContact CE2-CD1 3.52Å; Y893-L896 HydrophobicContact CG-CD1 4.42Å; L896-M981 HydrophobicContact CD1-CE 4.07Å; L896-M981 HydrophobicContact CD2-CE 4.33Å
897	T	34.4	Very low	35.9	Very low	77 Å²	77	92.2 Å²	92.2	47%	0.472	48%	0.482	S	S	.	.	S	Bend	trans	-94.7	131	168.2	70.3	0	0	0	0	111.8	D895	D895-T897 PolarHBondContact O-N 2.91Å
898	K	34.7	Very low	36.8	Very low	186 Å²	186	87.3 Å²	87.3	81%	0.809	46%	0.457	S	S	*	.	S	Bend	trans	84.7	6.3	168.4	-46.4	142.7	-172.1	146.5	0	119.4
899	S	35.6	Very low	38.3	Very low	73 Å²	73	85.3 Å²	85.3	51%	0.51	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-90.5	116.1	174.1	-167	0	0	0	0	112	P901	S899-P901 WeakPolarHBondContact O-CD 3.36Å
900	K	33.5	Very low	40.5	Very low	181 Å²	181	84.7 Å²	84.7	79%	0.787	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-85.4	120.6	-177.5	-71.2	-168.8	173.7	-169.1	0	112.4
901	P	33.5	Very low	42.9	Very low	46 Å²	46	83.2 Å²	83.2	30%	0.299	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-66.3	156.2	166.9	30.2	-34.4	0	0	0	110.7	S899	S899-P901 WeakPolarHBondContact O-CD 3.36Å
902	C	31.2	Very low	45.4	Very low	83 Å²	83	81.6 Å²	81.6	56%	0.561	42%	0.42	S	S	*	.			trans	-140.2	113.3	-171.5	-139.5	0	0	0	0	111.5	K881	K881-C902 HydrophobicContact CD-CB 3.97Å; K881-C902 VanDerWaalsContact CE-O 3.23Å; K881-C902 WeakPolarHBondContact CE-O 3.49Å; K881-C902 PolarHBondContact NZ-SG 2.81Å
903	H	29.9	Very low	47.9	Very low	128 Å²	128	79.2 Å²	79.2	59%	0.593	41%	0.408	S	S	*	.			trans	-72.7	161.1	-172.5	-55.2	-82.9	0	0	0	114.5	K881	K881-H903 WeakPolarHBondContact CE-O 3.41Å; K881-H903 PolarHBondContact NZ-O 3.01Å
904	Y	28.2	Very low	50.2	Low	215 Å²	215	76.4 Å²	76.4	84%	0.843	40%	0.397	S	S	*	.			trans	77.4	128.9	-167.8	-54.8	-74.8	0	0	0	114.1	K881	K881-Y904 WeakPolarHBondContact CE-O 3.24Å
905	C	28.5	Very low	52.6	Low	73 Å²	73	73 Å²	73	49%	0.493	37%	0.374	S	S	.	.			trans	-143.9	124.6	-151.9	-163.3	0	0	0	0	109.8	N879	N879-C905 WeakPolarHBondContact CB-SG 3.29Å; N879-C905 PolarHBondContact ND2-SG 2.9Å
906	T	31.1	Very low	55.1	Low	98 Å²	98	68 Å²	68	60%	0.601	35%	0.348	S	S	*	.			trans	-115.7	122.3	178	42.2	0	0	0	0	109.7	N879 S908	N879-T906 WeakPolarHBondContact CB-O 3.5Å; N879-T906 VanDerWaalsContact CG-O 3.26Å; N879-T906 PolarHBondContact OD1-O 3.17Å; T906-S908 PolarHBondContact O-N 3.17Å; T906-S908 VanDerWaalsContact O-N 3.1Å
907	K	44.9	Very low	57.6	Low	146 Å²	146	69 Å²	69	64%	0.635	35%	0.349	S	S	*	.			trans	-62.5	109.4	-171.1	-168.5	178	-177.5	-176.2	0	111.8
908	S	55.5	Low	60.1	Low	21 Å²	21	66.3 Å²	66.3	15%	0.147	33%	0.331	C	S	.	.			trans	-80.9	131.7	173.3	119.2	0	0	0	0	109.6	C877 N879 T906	C877-S908 WeakPolarHBondContact CB-OG 3.4Å; C877-S908 PolarHBondContact O-OG 2.81Å; N879-S908 PolarHBondContact OD1-N 2.98Å; T906-S908 PolarHBondContact O-N 3.17Å; T906-S908 VanDerWaalsContact O-N 3.1Å
909	D	72.2	Confident	62.3	Low	15 Å²	15	59 Å²	59	8%	0.08	31%	0.309	C	S	.	.			trans	-107.7	21.4	177.1	-166.6	69.9	0	0	0	111.6	L818 T819 S820 Y876	L818-D909 VanDerWaalsContact CD1-O 3.27Å; L818-D909 WeakPolarHBondContact CD1-O 3.47Å; L818-D909 VanDerWaalsContact CD1-OD2 3.28Å; L818-D909 WeakPolarHBondContact CD1-OD2 3.47Å; T819-D909 VanDerWaalsContact CB-OD1 3.25Å; T819-D909 WeakPolarHBondContact CB-OD1 3.5Å; T819-D909 PolarHBondContact N-OD1 2.82Å; T819-D909 VanDerWaalsContact N-OD1 3.16Å; T819-D909 PolarHBondContact N-OD2 3.18Å; S820-D909 WeakPolarHBondContact CA-OD2 3.1Å; S820-D909 WeakPolarHBondContact CB-OD2 3.28Å; S820-D909 PolarHBondContact N-OD1 2.89Å; S820-D909 PolarHBondContact N-OD2 3.43Å; S820-D909 PolarHBondContact OG-OD2 3.41Å; Y876-D909 WeakPolarHBondContact CE1-OD1 3.36Å
910	N	83.3	Confident	64.6	Low	29 Å²	29	61 Å²	61	16%	0.155	31%	0.31	C	S	.	.			trans	-80.3	135.4	175.6	-61.6	-37.1	0	0	0	108.8	Y876 C877 I928 P931 R937	Y876-N910 CarbonylContact C-O 3.56Å; C877-N910 HydrophobicContact CB-CB 4.12Å; C877-N910 PolarHBondContact N-O 3.25Å; N910-I928 HydrophobicContact CB-CG2 3.77Å; N910-P931 WeakPolarHBondContact OD1-CD 3.43Å; N910-R937 PolarHBondContact ND2-NH2 3.17Å; N910-R937 VanDerWaalsContact ND2-NH2 3.1Å
911	L	88.1	Confident	67.2	Low	1 Å²	1	55.8 Å²	55.8	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	129	177.4	-62.6	176.1	0	0	0	110.4	N816 L818 V825 L874 T875 Y876 I928 F929	N816-L911 HydrophobicContact CB-CD2 4.08Å; L818-L911 HydrophobicContact CB-CD1 4.24Å; L818-L911 HydrophobicContact CD1-CD1 4.17Å; L818-L911 HydrophobicContact CD1-CG 4.06Å; V825-L911 HydrophobicContact CB-CD1 4.32Å; V825-L911 HydrophobicContact CG2-CD1 4.32Å; L874-L911 HydrophobicContact CD1-CB 3.96Å; L874-L911 HydrophobicContact CD2-CD1 4.46Å; T875-L911 CarbonylContact O-C 3.56Å; T875-L911 WeakPolarHBondContact O-CA 3.32Å; Y876-L911 HydrophobicContact CD1-CD2 4.06Å; Y876-L911 HydrophobicContact CE1-CD2 4.13Å; Y876-L911 HydrophobicContact CG-CD2 4.5Å; L911-I928 CarbonylContact O-C 3.59Å; L911-I928 WeakPolarHBondContact O-CA 3.2Å; L911-F929 HydrophobicContact CB-CB 4.31Å; L911-F929 PolarHBondContact N-O 3.3Å; L911-F929 PolarHBondContact O-N 2.82Å
912	L	90.2	Very high	70	Confident	2 Å²	2	54.8 Å²	54.8	1%	0.01	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	110.9	176.2	-178.7	67.4	0	0	0	109.6	L874 T875 V914 I928 I982	L874-L912 WeakPolarHBondContact CA-O 3.16Å; T875-L912 HydrophobicContact CG2-CB 3.92Å; T875-L912 HydrophobicContact CG2-CD2 4.08Å; T875-L912 HydrophobicContact CG2-CG 4.3Å; T875-L912 PolarHBondContact N-O 2.61Å; T875-L912 PolarHBondContact O-N 3.03Å; L912-V914 HydrophobicContact CD2-CG2 3.98Å; L912-V914 HydrophobicContact CG-CG2 3.72Å; L912-I928 HydrophobicContact CD1-CD1 4.42Å; L912-I928 HydrophobicContact CD1-CG1 3.62Å; L912-I982 HydrophobicContact CD2-CD1 3.88Å; L912-I982 HydrophobicContact CD2-CG2 4.44Å
913	L	92	Very high	72.8	Confident	3 Å²	3	52 Å²	52	2%	0.016	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	128.1	170.7	-177.6	72.8	0	0	0	109.3	C814 I827 T861 I869 A872 S873 L874 T926 W927 W936	C814-L913 WeakPolarHBondContact SG-CD1 3.28Å; I827-L913 HydrophobicContact CG2-CD1 4.02Å; I827-L913 HydrophobicContact CG2-CD2 4.13Å; T861-L913 HydrophobicContact CG2-CD2 3.46Å; T861-L913 VanDerWaalsContact CG2-CD2 3.46Å; I869-L913 HydrophobicContact CD1-CD2 4.21Å; A872-L913 HydrophobicContact CB-CD1 3.63Å; A872-L913 HydrophobicContact CB-CG 4.23Å; S873-L913 CarbonylContact O-C 3.58Å; S873-L913 WeakPolarHBondContact O-CA 3.5Å; L874-L913 HydrophobicContact CD1-CB 4.04Å; L874-L913 HydrophobicContact CD1-CD1 4.15Å; L913-T926 CarbonylContact O-C 3.56Å; L913-T926 WeakPolarHBondContact O-CA 3.42Å; L913-T926 WeakPolarHBondContact O-CB 3.29Å; L913-W927 HydrophobicContact CB-CB 4.35Å; L913-W927 PolarHBondContact N-O 3Å; L913-W927 PolarHBondContact O-N 3.35Å; L913-W936 HydrophobicContact CB-CH2 4.04Å; L913-W936 HydrophobicContact CB-CZ3 3.78Å; L913-W936 HydrophobicContact CD2-CH2 4.24Å; L913-W936 HydrophobicContact CD2-CZ3 4.36Å
914	V	92.3	Very high	75.7	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	120.8	-171.3	178.9	0	0	0	0	111.9	A872 S873 L912 T926 L942 T951 V962 I982	A872-V914 WeakPolarHBondContact CA-O 3.25Å; S873-V914 PolarHBondContact N-O 3.42Å; S873-V914 PolarHBondContact O-N 3.37Å; L912-V914 HydrophobicContact CD2-CG2 3.98Å; L912-V914 HydrophobicContact CG-CG2 3.72Å; V914-T926 HydrophobicContact CB-CG2 4.26Å; V914-T926 HydrophobicContact CG1-CG2 4.05Å; V914-T926 HydrophobicContact CG2-CG2 4.02Å; V914-L942 HydrophobicContact CG1-CD1 3.83Å; V914-L942 HydrophobicContact CG1-CD2 4Å; V914-L942 HydrophobicContact CG1-CG 4.24Å; V914-T951 HydrophobicContact CB-CG2 3.85Å; V914-T951 HydrophobicContact CG1-CG2 3.86Å; V914-T951 HydrophobicContact CG2-CG2 3.95Å; V914-V962 HydrophobicContact CG1-CG1 3.98Å; V914-V962 HydrophobicContact CG1-CG2 4.37Å; V914-I982 HydrophobicContact CG2-CD1 4.12Å
915	G	91	Very high	78.7	Confident	3 Å²	3	40.3 Å²	40.3	3%	0.031	22%	0.221	C	C	.	.			trans	62.9	-142.8	170.2	0	0	0	0	0	114.3	A872 L923 T925	A872-G915 WeakPolarHBondContact CB-O 3.33Å; G915-L923 WeakPolarHBondContact CA-O 3.36Å; G915-T925 PolarHBondContact N-O 2.99Å
916	G	90.9	Very high	81.6	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.198	C	C	.	.			trans	108.7	-160.8	-178.9	0	0	0	0	0	113.6	R870 T922 L923 R946 S947	R870-G916 CarbonylContact O-C 3.59Å; R870-G916 WeakPolarHBondContact O-CA 3.39Å; G916-T922 WeakPolarHBondContact O-CA 3.49Å; G916-L923 PolarHBondContact O-N 3.07Å; G916-R946 PolarHBondContact N-O 3.16Å; G916-S947 WeakPolarHBondContact O-CB 3.42Å
917	Y	89.3	Confident	84.4	Confident	70 Å²	70	34.5 Å²	34.5	28%	0.275	18%	0.178	S	C	.	.	B	Isolated β-bridge	trans	-139.2	121.4	177.3	179.2	-101.8	0	0	0	109.8	R870 G919 Q920 D921 T922	R870-Y917 HydrophobicContact CG-CD1 4.47Å; R870-Y917 PolarHBondContact N-O 3.24Å; R870-Y917 PolarHBondContact O-N 3.26Å; Y917-G919 VanDerWaalsContact C-N 3.31Å; Y917-G919 VanDerWaalsContact CE1-C 3.47Å; Y917-G919 PolarHBondContact O-N 2.98Å; Y917-G919 PolarHBondContact OH-O 3.14Å; Y917-Q920 VanDerWaalsContact CE2-C 3.45Å; Y917-Q920 WeakPolarHBondContact CE2-O 3.35Å; Y917-Q920 PolarHBondContact OH-O 3.28Å; Y917-D921 WeakPolarHBondContact CA-O 3.5Å; Y917-D921 WeakPolarHBondContact CD2-O 3.36Å; Y917-T922 HydrophobicContact CD2-CG2 3.96Å
918	N	85.7	Confident	86.5	Confident	19 Å²	19	28.1 Å²	28.1	10%	0.102	15%	0.151	C	C	.	.			trans	-80.1	-9.4	-172	67.2	10.7	0	0	0	114.3	F866 Q868 Q920 D921 L923	F866-N918 WeakPolarHBondContact CB-O 3.4Å; F866-N918 HydrophobicContact CD2-CB 4.23Å; Q868-N918 CarbonylContact O-C 3.56Å; Q868-N918 VanDerWaalsContact O-CA 3.3Å; Q868-N918 WeakPolarHBondContact O-CA 3.35Å; N918-Q920 WeakPolarHBondContact OD1-CA 3.38Å; N918-Q920 PolarHBondContact OD1-N 3.15Å; N918-D921 PolarHBondContact N-O 3.37Å; N918-D921 PolarHBondContact OD1-N 3.47Å; N918-D921 PolarHBondContact OD1-O 3.42Å; N918-L923 HydrophobicContact CB-CD1 4.37Å; N918-L923 HydrophobicContact CB-CD2 4.2Å
919	G	81.1	Confident	87.9	Confident	33 Å²	33	27.2 Å²	27.2	34%	0.34	14%	0.144	S	C	.	.	S	Bend	trans	115.3	-18.7	-171.6	0	0	0	0	0	113.5	Y917	Y917-G919 VanDerWaalsContact C-N 3.31Å; Y917-G919 VanDerWaalsContact CE1-C 3.47Å; Y917-G919 PolarHBondContact O-N 2.98Å; Y917-G919 PolarHBondContact OH-O 3.14Å
920	Q	84.2	Confident	88.2	Confident	114 Å²	114	27.6 Å²	27.6	53%	0.533	15%	0.146	S	C	.	.	S	Bend	trans	-119.6	-54.9	173.8	-171	-177.9	-81.3	0	0	110.5	F866 Y917 N918	F866-Q920 HydrophobicContact CE1-CB 4.42Å; F866-Q920 HydrophobicContact CE2-CB 4.39Å; F866-Q920 HydrophobicContact CZ-CB 4.21Å; Y917-Q920 VanDerWaalsContact CE2-C 3.45Å; Y917-Q920 WeakPolarHBondContact CE2-O 3.35Å; Y917-Q920 PolarHBondContact OH-O 3.28Å; N918-Q920 WeakPolarHBondContact OD1-CA 3.38Å; N918-Q920 PolarHBondContact OD1-N 3.15Å
921	D	89	Confident	87.9	Confident	73 Å²	73	26.2 Å²	26.2	39%	0.39	14%	0.138	S	C	.	.	S	Bend	trans	-122.4	149.3	-170.1	-65.2	-68.2	0	0	0	113	Y917 N918	Y917-D921 WeakPolarHBondContact CA-O 3.5Å; Y917-D921 WeakPolarHBondContact CD2-O 3.36Å; N918-D921 PolarHBondContact N-O 3.37Å; N918-D921 PolarHBondContact OD1-N 3.47Å; N918-D921 PolarHBondContact OD1-O 3.42Å
922	T	90.5	Very high	87.2	Confident	24 Å²	24	29.7 Å²	29.7	15%	0.147	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-75.4	135.5	166.5	50.2	0	0	0	0	109.9	G916 Y917 N967	G916-T922 WeakPolarHBondContact O-CA 3.49Å; Y917-T922 HydrophobicContact CD2-CG2 3.96Å; T922-N967 HydrophobicContact CG2-CB 4.3Å; T922-N967 PolarHBondContact OG1-ND2 3.07Å
923	L	91.1	Very high	86.4	Confident	25 Å²	25	31.7 Å²	31.7	13%	0.131	18%	0.176	C	C	.	.			trans	-95.8	138.2	-173.4	-56	178.6	0	0	0	112.3	G915 G916 N918 A945 R946	G915-L923 WeakPolarHBondContact CA-O 3.36Å; G916-L923 PolarHBondContact O-N 3.07Å; N918-L923 HydrophobicContact CB-CD1 4.37Å; N918-L923 HydrophobicContact CB-CD2 4.2Å; L923-A945 CarbonylContact O-C 3.58Å; L923-A945 VanDerWaalsContact O-CA 3.29Å; L923-A945 WeakPolarHBondContact O-CA 3.47Å; L923-R946 PolarHBondContact O-N 3.3Å
924	D	90.9	Very high	85.8	Confident	64 Å²	64	32.9 Å²	32.9	34%	0.342	18%	0.181	S	C	.	.			trans	-94.2	-25.6	159.7	40.8	25.4	0	0	0	112	T926 N941 L942 A945	D924-T926 PolarHBondContact O-N 3.36Å; D924-N941 HydrophobicContact CB-CB 4.5Å; D924-L942 HydrophobicContact CB-CB 4.17Å; D924-L942 WeakPolarHBondContact CB-O 3.43Å; D924-L942 WeakPolarHBondContact O-CB 3.47Å; D924-L942 WeakPolarHBondContact O-CG 3.33Å; D924-L942 PolarHBondContact O-N 3.05Å; D924-A945 HydrophobicContact CB-CB 3.82Å
925	T	90.2	Very high	85.3	Confident	34 Å²	34	39.8 Å²	39.8	21%	0.209	21%	0.211	C	C	.	.			trans	-52.9	137.2	-179.7	62.8	0	0	0	0	113	G915 N941	G915-T925 PolarHBondContact N-O 2.99Å; T925-N941 WeakPolarHBondContact CA-OD1 3.48Å
926	T	89.8	Confident	84.9	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	151.3	163.8	75.7	0	0	0	0	110.3	L913 V914 D924 G939 P940 L942 I982	L913-T926 CarbonylContact O-C 3.56Å; L913-T926 WeakPolarHBondContact O-CA 3.42Å; L913-T926 WeakPolarHBondContact O-CB 3.29Å; V914-T926 HydrophobicContact CB-CG2 4.26Å; V914-T926 HydrophobicContact CG1-CG2 4.05Å; V914-T926 HydrophobicContact CG2-CG2 4.02Å; D924-T926 PolarHBondContact O-N 3.36Å; T926-G939 PolarHBondContact O-N 2.97Å; T926-G939 VanDerWaalsContact OG1-CA 3.29Å; T926-G939 WeakPolarHBondContact OG1-CA 3.32Å; T926-P940 WeakPolarHBondContact CB-O 3.35Å; T926-P940 WeakPolarHBondContact CG2-O 3.29Å; T926-P940 PolarHBondContact OG1-O 3Å; T926-L942 HydrophobicContact CG2-CD2 4.4Å; T926-L942 HydrophobicContact CG2-CG 4.26Å; T926-I982 HydrophobicContact CG2-CD1 4.37Å
927	W	89.5	Confident	84.7	Confident	48 Å²	48	45.8 Å²	45.8	18%	0.182	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	133.3	-178.1	-67	95	0	0	0	109.7	P862 L913 W936	P862-W927 HydrophobicContact CB-CE3 4.43Å; P862-W927 HydrophobicContact CB-CH2 3.71Å; P862-W927 HydrophobicContact CB-CZ2 4.3Å; P862-W927 HydrophobicContact CB-CZ3 3.78Å; P862-W927 HydrophobicContact CG-CE3 4.02Å; P862-W927 HydrophobicContact CG-CH2 4.15Å; P862-W927 HydrophobicContact CG-CZ3 3.67Å; L913-W927 HydrophobicContact CB-CB 4.35Å; L913-W927 PolarHBondContact N-O 3Å; L913-W927 PolarHBondContact O-N 3.35Å; W927-W936 HydrophobicContact CB-CE3 3.57Å; W927-W936 HydrophobicContact CB-CZ3 3.89Å; W927-W936 HydrophobicContact CE3-CB 4.4Å
928	I	88.8	Confident	84.4	Confident	13 Å²	13	45.9 Å²	45.9	7%	0.067	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	120.3	176.9	-59.4	169.1	0	0	0	108.5	C877 N910 L911 L912 W936 R937	C877-I928 WeakPolarHBondContact SG-CG2 3.27Å; N910-I928 HydrophobicContact CB-CG2 3.77Å; L911-I928 CarbonylContact O-C 3.59Å; L911-I928 WeakPolarHBondContact O-CA 3.2Å; L912-I928 HydrophobicContact CD1-CD1 4.42Å; L912-I928 HydrophobicContact CD1-CG1 3.62Å; I928-W936 CarbonylContact O-C 3.39Å; I928-W936 WeakPolarHBondContact O-CA 3.49Å; I928-R937 HydrophobicContact CB-CG 3.84Å; I928-R937 HydrophobicContact CG2-CG 4.38Å; I928-R937 PolarHBondContact N-O 3.06Å; I928-R937 PolarHBondContact O-N 3.04Å
929	F	85.7	Confident	84.3	Confident	1 Å²	1	45.4 Å²	45.4	0%	0.004	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	122.3	170.5	-176.6	-110.4	0	0	0	109.9	L818 I858 L911 P931 W934 W936	L818-F929 HydrophobicContact CD2-CD1 4.45Å; L818-F929 HydrophobicContact CD2-CE1 3.94Å; I858-F929 HydrophobicContact CD1-CE2 4.49Å; I858-F929 HydrophobicContact CD1-CZ 4.24Å; L911-F929 HydrophobicContact CB-CB 4.31Å; L911-F929 PolarHBondContact N-O 3.3Å; L911-F929 PolarHBondContact O-N 2.82Å; F929-P931 HydrophobicContact CD1-CB 4.42Å; F929-P931 HydrophobicContact CE1-CB 4.09Å; F929-P931 WeakPolarHBondContact O-CD 3.38Å; F929-W934 HydrophobicContact CE2-CE3 4.48Å; F929-W934 HydrophobicContact CZ-CD2 4.4Å; F929-W934 AromaticContact CZ-CE3 3.68Å; F929-W934 HydrophobicContact CZ-CE3 3.68Å; F929-W934 HydrophobicContact CZ-CZ3 4.11Å; F929-W936 HydrophobicContact CB-CD2 4.01Å; F929-W936 HydrophobicContact CB-CE3 3.72Å; F929-W936 HydrophobicContact CB-CH2 3.81Å; F929-W936 HydrophobicContact CB-CZ2 4.05Å; F929-W936 HydrophobicContact CB-CZ3 3.64Å; F929-W936 AromaticContact CD2-CD2 3.98Å; F929-W936 HydrophobicContact CD2-CD2 3.98Å; F929-W936 AromaticContact CD2-CE2 3.71Å; F929-W936 HydrophobicContact CD2-CG 4.26Å; F929-W936 HydrophobicContact CD2-CZ2 4.12Å; F929-W936 AromaticContact CD2-NE1 3.77Å; F929-W936 HydrophobicContact CG-CD2 4.49Å; F929-W936 HydrophobicContact CG-CZ2 4.35Å
930	D	78.9	Confident	84.5	Confident	23 Å²	23	45 Å²	45	12%	0.123	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	113.6	170.1	-161.7	-73.5	0	0	0	110.3	V932 A933 W934 K935 R937	D930-V932 VanDerWaalsContact C-N 3.29Å; D930-V932 PolarHBondContact O-N 2.75Å; D930-V932 WeakPolarHBondContact OD1-CA 3.46Å; D930-V932 WeakPolarHBondContact OD1-CB 3.48Å; D930-V932 PolarHBondContact OD1-N 2.87Å; D930-A933 HydrophobicContact CB-CB 4.21Å; D930-A933 PolarHBondContact OD1-N 2.64Å; D930-W934 VanDerWaalsContact O-CA 3.32Å; D930-W934 WeakPolarHBondContact O-CA 3.37Å; D930-W934 PolarHBondContact O-N 2.78Å; D930-K935 WeakPolarHBondContact CB-O 3.23Å; D930-K935 PolarHBondContact N-O 2.83Å; D930-K935 PolarHBondContact O-N 3.15Å; D930-R937 IonicContact OD2-CZ 3.91Å; D930-R937 IonicContact OD2-NH1 2.78Å; D930-R937 PolarHBondContact OD2-NH1 3.38Å
931	P	77.1	Confident	84.6	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-11.6	-177.4	35.3	-37	0	0	0	113	L818 R821 N910 F929	L818-P931 HydrophobicContact CD1-CB 3.75Å; L818-P931 HydrophobicContact CD1-CG 4.1Å; L818-P931 HydrophobicContact CD2-CB 3.83Å; L818-P931 HydrophobicContact CG-CB 4.21Å; R821-P931 HydrophobicContact CG-CB 4.16Å; R821-P931 PolarHBondContact NE-O 3.2Å; R821-P931 PolarHBondContact NH2-O 3.08Å; N910-P931 WeakPolarHBondContact OD1-CD 3.43Å; F929-P931 HydrophobicContact CD1-CB 4.42Å; F929-P931 HydrophobicContact CE1-CB 4.09Å; F929-P931 WeakPolarHBondContact O-CD 3.38Å
932	V	73.1	Confident	84.5	Confident	75 Å²	75	40.4 Å²	40.4	46%	0.455	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-52.4	175.8	-173.2	0	0	0	0	109	D930 W934	D930-V932 VanDerWaalsContact C-N 3.29Å; D930-V932 PolarHBondContact O-N 2.75Å; D930-V932 WeakPolarHBondContact OD1-CA 3.46Å; D930-V932 WeakPolarHBondContact OD1-CB 3.48Å; D930-V932 PolarHBondContact OD1-N 2.87Å; V932-W934 VanDerWaalsContact C-N 3.32Å; V932-W934 PolarHBondContact O-N 2.85Å
933	A	73.3	Confident	84.3	Confident	43 Å²	43	42.5 Å²	42.5	36%	0.355	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-8.9	-179	0	0	0	0	0	114.2	D930 K935	D930-A933 HydrophobicContact CB-CB 4.21Å; D930-A933 PolarHBondContact OD1-N 2.64Å; A933-K935 HydrophobicContact CB-CB 4.33Å; A933-K935 HydrophobicContact CB-CD 4.42Å; A933-K935 WeakPolarHBondContact O-CG 3.5Å; A933-K935 PolarHBondContact O-N 3.44Å
934	W	80	Confident	84.1	Confident	29 Å²	29	44.3 Å²	44.3	11%	0.11	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	51	42.6	-171.7	-73.1	95.4	0	0	0	112.5	S413 L823 F856 I858 P859 F929 D930 V932	S413-W934 PolarHBondContact O-NE1 2.8Å; L823-W934 HydrophobicContact CD1-CH2 3.84Å; F856-W934 HydrophobicContact CE2-CH2 4.39Å; I858-W934 HydrophobicContact CB-CZ3 4.02Å; I858-W934 HydrophobicContact CG2-CZ3 3.79Å; P859-W934 HydrophobicContact CG-CB 4.49Å; P859-W934 WeakPolarHBondContact CG-O 3.31Å; F929-W934 HydrophobicContact CE2-CE3 4.48Å; F929-W934 HydrophobicContact CZ-CD2 4.4Å; F929-W934 AromaticContact CZ-CE3 3.68Å; F929-W934 HydrophobicContact CZ-CE3 3.68Å; F929-W934 HydrophobicContact CZ-CZ3 4.11Å; D930-W934 VanDerWaalsContact O-CA 3.32Å; D930-W934 WeakPolarHBondContact O-CA 3.37Å; D930-W934 PolarHBondContact O-N 2.78Å; V932-W934 VanDerWaalsContact C-N 3.32Å; V932-W934 PolarHBondContact O-N 2.85Å
935	K	81	Confident	84	Confident	145 Å²	145	41.6 Å²	41.6	63%	0.63	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-135.7	145.7	-174.2	-77.3	171.4	-172.4	174.5	0	111.3	D930 A933	D930-K935 WeakPolarHBondContact CB-O 3.23Å; D930-K935 PolarHBondContact N-O 2.83Å; D930-K935 PolarHBondContact O-N 3.15Å; A933-K935 HydrophobicContact CB-CB 4.33Å; A933-K935 HydrophobicContact CB-CD 4.42Å; A933-K935 WeakPolarHBondContact O-CG 3.5Å; A933-K935 PolarHBondContact O-N 3.44Å
936	W	83.8	Confident	84.1	Confident	25 Å²	25	40 Å²	40	10%	0.095	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	135.8	167.1	-67.5	94.9	0	0	0	110.2	I827 V845 P859 T861 P862 L913 W927 I928 F929	I827-W936 HydrophobicContact CD1-CH2 3.62Å; I827-W936 HydrophobicContact CD1-CZ2 3.84Å; V845-W936 HydrophobicContact CG1-CZ2 4.42Å; P859-W936 PolarHBondContact O-NE1 3.12Å; T861-W936 HydrophobicContact CG2-CD2 4.09Å; T861-W936 HydrophobicContact CG2-CE3 4.4Å; T861-W936 HydrophobicContact CG2-CH2 4.07Å; T861-W936 HydrophobicContact CG2-CZ2 3.75Å; T861-W936 HydrophobicContact CG2-CZ3 4.38Å; P862-W936 HydrophobicContact CG-CB 3.88Å; L913-W936 HydrophobicContact CB-CH2 4.04Å; L913-W936 HydrophobicContact CB-CZ3 3.78Å; L913-W936 HydrophobicContact CD2-CH2 4.24Å; L913-W936 HydrophobicContact CD2-CZ3 4.36Å; W927-W936 HydrophobicContact CB-CE3 3.57Å; W927-W936 HydrophobicContact CB-CZ3 3.89Å; W927-W936 HydrophobicContact CE3-CB 4.4Å; I928-W936 CarbonylContact O-C 3.39Å; I928-W936 WeakPolarHBondContact O-CA 3.49Å; F929-W936 HydrophobicContact CB-CD2 4.01Å; F929-W936 HydrophobicContact CB-CE3 3.72Å; F929-W936 HydrophobicContact CB-CH2 3.81Å; F929-W936 HydrophobicContact CB-CZ2 4.05Å; F929-W936 HydrophobicContact CB-CZ3 3.64Å; F929-W936 AromaticContact CD2-CD2 3.98Å; F929-W936 HydrophobicContact CD2-CD2 3.98Å; F929-W936 AromaticContact CD2-CE2 3.71Å; F929-W936 HydrophobicContact CD2-CG 4.26Å; F929-W936 HydrophobicContact CD2-CZ2 4.12Å; F929-W936 AromaticContact CD2-NE1 3.77Å; F929-W936 HydrophobicContact CG-CD2 4.49Å; F929-W936 HydrophobicContact CG-CZ2 4.35Å
937	R	85	Confident	84.2	Confident	103 Å²	103	40.6 Å²	40.6	39%	0.389	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	156.7	165.7	62.8	-179.2	174.4	-99.9	1.3	109.6	N910 I928 D930 G939	N910-R937 PolarHBondContact ND2-NH2 3.17Å; N910-R937 VanDerWaalsContact ND2-NH2 3.1Å; I928-R937 HydrophobicContact CB-CG 3.84Å; I928-R937 HydrophobicContact CG2-CG 4.38Å; I928-R937 PolarHBondContact N-O 3.06Å; I928-R937 PolarHBondContact O-N 3.04Å; D930-R937 IonicContact OD2-CZ 3.91Å; D930-R937 IonicContact OD2-NH1 2.78Å; D930-R937 PolarHBondContact OD2-NH1 3.38Å; R937-G939 PolarHBondContact O-N 3.47Å
938	S	83.7	Confident	84.3	Confident	72 Å²	72	39.4 Å²	39.4	50%	0.503	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	137.5	171.8	-162.8	0	0	0	0	109.6
939	G	84.2	Confident	84.5	Confident	10 Å²	10	39.1 Å²	39.1	10%	0.103	21%	0.209	C	C	.	.			trans	-90	-172.5	156.4	0	0	0	0	0	110.4	T926 R937	T926-G939 PolarHBondContact O-N 2.97Å; T926-G939 VanDerWaalsContact OG1-CA 3.29Å; T926-G939 WeakPolarHBondContact OG1-CA 3.32Å; R937-G939 PolarHBondContact O-N 3.47Å
940	P	84.2	Confident	84.8	Confident	24 Å²	24	39.7 Å²	39.7	16%	0.156	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-72.1	145.6	170.7	32.8	-37	0	0	0	111.1	V888 I890 T926 I982	V888-P940 HydrophobicContact CG1-CG 3.86Å; I890-P940 HydrophobicContact CD1-CB 3.86Å; I890-P940 HydrophobicContact CD1-CG 3.76Å; I890-P940 HydrophobicContact CG1-CB 3.96Å; I890-P940 HydrophobicContact CG1-CG 3.86Å; T926-P940 WeakPolarHBondContact CB-O 3.35Å; T926-P940 WeakPolarHBondContact CG2-O 3.29Å; T926-P940 PolarHBondContact OG1-O 3Å; P940-I982 HydrophobicContact CG-CG2 3.66Å
941	N	86	Confident	85.4	Confident	83 Å²	83	39.1 Å²	39.1	44%	0.444	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-83.5	140.6	178.8	-66.3	-7	0	0	0	111.5	I890 D924 T925	I890-N941 WeakPolarHBondContact CD1-O 3.2Å; D924-N941 HydrophobicContact CB-CB 4.5Å; T925-N941 WeakPolarHBondContact CA-OD1 3.48Å
942	L	86.9	Confident	86.1	Confident	7 Å²	7	39.6 Å²	39.6	4%	0.037	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-59.1	150	171.3	-59.8	177.5	0	0	0	111.5	I890 V914 D924 T926 F944 R946 V962 E980 I982	I890-L942 HydrophobicContact CD1-CD2 4.11Å; V914-L942 HydrophobicContact CG1-CD1 3.83Å; V914-L942 HydrophobicContact CG1-CD2 4Å; V914-L942 HydrophobicContact CG1-CG 4.24Å; D924-L942 HydrophobicContact CB-CB 4.17Å; D924-L942 WeakPolarHBondContact CB-O 3.43Å; D924-L942 WeakPolarHBondContact O-CB 3.47Å; D924-L942 WeakPolarHBondContact O-CG 3.33Å; D924-L942 PolarHBondContact O-N 3.05Å; T926-L942 HydrophobicContact CG2-CD2 4.4Å; T926-L942 HydrophobicContact CG2-CG 4.26Å; L942-F944 VanDerWaalsContact C-N 3.34Å; L942-R946 HydrophobicContact CD1-CG 3.63Å; L942-V962 HydrophobicContact CD1-CG1 4.4Å; L942-V962 HydrophobicContact CD2-CB 4.45Å; L942-V962 HydrophobicContact CD2-CG1 4.13Å; L942-V962 HydrophobicContact CD2-CG2 4.03Å; L942-E980 WeakPolarHBondContact CA-OE2 3.48Å; L942-E980 WeakPolarHBondContact CB-OE2 3.28Å; L942-I982 HydrophobicContact CD2-CD1 4.3Å
943	I	86.9	Confident	86.7	Confident	69 Å²	69	37.2 Å²	37.2	35%	0.354	20%	0.198	S	C	.	.	S	Bend	trans	-68.2	-38.3	171.5	-59.6	152.4	0	0	0	110	I890 N892 E980	I890-I943 HydrophobicContact CG2-CD1 3.81Å; I890-I943 HydrophobicContact CG2-CG1 3.98Å; N892-I943 HydrophobicContact CB-CD1 3.68Å; I943-E980 HydrophobicContact CD1-CG 4.33Å; I943-E980 PolarHBondContact N-OE2 3.18Å
944	F	86.1	Confident	87.1	Confident	62 Å²	62	35.3 Å²	35.3	27%	0.272	18%	0.182	S	C	.	.	S	Bend	trans	-120.9	104	177.2	-55.1	-77	0	0	0	111.4	L942 R946 F971 E980	L942-F944 VanDerWaalsContact C-N 3.34Å; F944-R946 WeakPolarHBondContact O-CG 3.31Å; F944-R946 PolarHBondContact O-N 3.18Å; F944-R946 PolarHBondContact O-NE 2.66Å; F944-R946 VanDerWaalsContact O-NE 3.12Å; F944-F971 HydrophobicContact CB-CE1 4.46Å; F944-F971 HydrophobicContact CB-CZ 3.82Å; F944-F971 HydrophobicContact CD1-CE1 4.48Å; F944-F971 HydrophobicContact CG-CE1 4.43Å; F944-F971 HydrophobicContact CG-CZ 4.26Å; F944-E980 WeakPolarHBondContact CB-OE1 3.35Å; F944-E980 WeakPolarHBondContact CD2-OE1 3.47Å; F944-E980 PolarHBondContact N-OE1 3.02Å
945	A	90.4	Very high	87.1	Confident	7 Å²	7	35.9 Å²	35.9	6%	0.058	19%	0.19	C	C	.	.			trans	-46.2	126.9	167.4	0	0	0	0	0	111.6	L923 D924 N967	L923-A945 CarbonylContact O-C 3.58Å; L923-A945 VanDerWaalsContact O-CA 3.29Å; L923-A945 WeakPolarHBondContact O-CA 3.47Å; D924-A945 HydrophobicContact CB-CB 3.82Å; A945-N967 WeakPolarHBondContact O-CB 3.15Å; A945-N967 PolarHBondContact O-ND2 3.44Å
946	R	90.8	Very high	86.7	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.172	C	C	.	.			trans	-153.3	140.7	-168.8	57.8	-179.8	72.9	-154.2	13.2	111.9	G916 L923 L942 F944 C949 G964 T978 E980	G916-R946 PolarHBondContact N-O 3.16Å; L923-R946 PolarHBondContact O-N 3.3Å; L942-R946 HydrophobicContact CD1-CG 3.63Å; F944-R946 WeakPolarHBondContact O-CG 3.31Å; F944-R946 PolarHBondContact O-N 3.18Å; F944-R946 PolarHBondContact O-NE 2.66Å; F944-R946 VanDerWaalsContact O-NE 3.12Å; R946-C949 HydrophobicContact CG-CB 4.06Å; R946-G964 WeakPolarHBondContact CD-O 3.33Å; R946-G964 PolarHBondContact NH1-O 2.67Å; R946-T978 PolarHBondContact NH1-O 3.33Å; R946-T978 PolarHBondContact NH2-OG1 2.75Å; R946-E980 IonicContact CZ-OE1 2.64Å; R946-E980 IonicContact NE-OE1 3.85Å; R946-E980 IonicContact NH2-OE1 2.79Å; R946-E980 PolarHBondContact NH2-OE1 3.21Å
947	S	91.8	Very high	86.4	Confident	13 Å²	13	32.9 Å²	32.9	9%	0.091	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-114.6	158.8	170.7	70.7	0	0	0	0	111.1	G916 C949 G965 Y966	G916-S947 WeakPolarHBondContact O-CB 3.42Å; S947-C949 PolarHBondContact O-N 3.31Å; S947-C949 VanDerWaalsContact O-N 3.15Å; S947-G965 CarbonylContact O-C 3.58Å; S947-G965 WeakPolarHBondContact O-CA 3.28Å; S947-Y966 PolarHBondContact N-O 2.82Å; S947-Y966 PolarHBondContact O-N 2.84Å; S947-Y966 PolarHBondContact OG-O 3.02Å
948	S	92.2	Very high	85.7	Confident	24 Å²	24	30.5 Å²	30.5	17%	0.168	17%	0.172	C	C	.	.	S	Bend	trans	50.7	35.3	-176.4	-66.6	0	0	0	0	114.5	S576 S577 G871 G965	S576-S948 WeakPolarHBondContact OG-CB 3.39Å; S577-S948 PolarHBondContact N-O 2.88Å; S577-S948 VanDerWaalsContact N-O 3.1Å; S577-S948 WeakPolarHBondContact OG-CB 3.34Å; S577-S948 PolarHBondContact OG-OG 3.21Å; S577-S948 VanDerWaalsContact OG-OG 3.13Å; G871-S948 WeakPolarHBondContact O-CA 3.32Å; G871-S948 PolarHBondContact O-N 3.44Å; S948-G965 WeakPolarHBondContact O-CA 3.41Å
949	C	92.4	Very high	85.5	Confident	6 Å²	6	28.9 Å²	28.9	4%	0.041	16%	0.155	C	C	.	.			trans	-83.3	169.5	168	61.3	0	0	0	0	110.7	R946 S947 F963	R946-C949 HydrophobicContact CG-CB 4.06Å; S947-C949 PolarHBondContact O-N 3.31Å; S947-C949 VanDerWaalsContact O-N 3.15Å; C949-F963 VanDerWaalsContact CB-O 3.31Å; C949-F963 WeakPolarHBondContact CB-O 3.46Å
950	C	92.9	Very high	85.6	Confident	13 Å²	13	28.4 Å²	28.4	9%	0.088	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	140.2	171.1	-58.2	0	0	0	0	110.3	F578 I580 F963	F578-C950 HydrophobicContact CD2-CB 4.22Å; F578-C950 VanDerWaalsContact CD2-SG 3.6Å; F578-C950 HydrophobicContact CE2-CB 3.59Å; F578-C950 VanDerWaalsContact CE2-SG 3.52Å; F578-C950 HydrophobicContact CZ-CB 4.03Å; F578-C950 PolarHBondContact O-SG 2.82Å; I580-C950 HydrophobicContact CB-CB 3.78Å; I580-C950 HydrophobicContact CG2-CB 3.68Å; C950-F963 PolarHBondContact N-O 2.88Å; C950-F963 PolarHBondContact O-N 3.22Å
951	T	92	Very high	85.9	Confident	11 Å²	11	27.4 Å²	27.4	7%	0.067	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	146.2	174.3	54.6	0	0	0	0	111.1	S873 T875 V914 L961 V962	S873-T951 VanDerWaalsContact CB-OG1 3.3Å; S873-T951 WeakPolarHBondContact CB-OG1 3.3Å; S873-T951 PolarHBondContact OG-N 2.98Å; S873-T951 PolarHBondContact OG-OG1 2.92Å; S873-T951 VanDerWaalsContact OG-OG1 3.13Å; T875-T951 WeakPolarHBondContact CB-OG1 3.35Å; V914-T951 HydrophobicContact CB-CG2 3.85Å; V914-T951 HydrophobicContact CG1-CG2 3.86Å; V914-T951 HydrophobicContact CG2-CG2 3.95Å; T951-L961 VanDerWaalsContact CA-O 3.3Å; T951-L961 WeakPolarHBondContact CA-O 3.37Å; T951-V962 HydrophobicContact CG2-CB 4.22Å; T951-V962 HydrophobicContact CG2-CG1 3.95Å; T951-V962 HydrophobicContact CG2-CG2 3.96Å
952	T	90.3	Very high	86.1	Confident	11 Å²	11	23.5 Å²	23.5	7%	0.067	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	143.6	172.1	-149.2	0	0	0	0	110.1	I580 Q582 I591 N960 L961 F963	I580-T952 HydrophobicContact CD1-CG2 3.93Å; Q582-T952 VanDerWaalsContact CD-OG1 3.27Å; Q582-T952 PolarHBondContact OE1-OG1 2.83Å; I591-T952 HydrophobicContact CD1-CG2 3.85Å; I591-T952 HydrophobicContact CG1-CG2 4.24Å; I591-T952 HydrophobicContact CG2-CG2 4.02Å; T952-N960 WeakPolarHBondContact O-CA 3.33Å; T952-N960 PolarHBondContact O-OD1 3.06Å; T952-L961 PolarHBondContact N-O 3.01Å; T952-L961 PolarHBondContact O-N 3.36Å; T952-F963 HydrophobicContact CG2-CE2 4.11Å
953	L	86	Confident	86.4	Confident	25 Å²	25	23.1 Å²	23.1	13%	0.131	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	133.6	174.2	-177	71.6	0	0	0	108.6	Q582 P878 Q957 Y959 N960	Q582-L953 PolarHBondContact NE2-O 2.88Å; Q582-L953 PolarHBondContact OE1-O 2.74Å; P878-L953 HydrophobicContact CB-CD1 4.47Å; L953-Q957 HydrophobicContact CD2-CB 3.97Å; L953-Q957 HydrophobicContact CD2-CG 3.79Å; L953-Q957 HydrophobicContact CG-CB 4.36Å; L953-Q957 HydrophobicContact CG-CG 4.38Å; L953-Y959 WeakPolarHBondContact CA-O 3.35Å; L953-N960 WeakPolarHBondContact CD1-ND2 3.42Å; L953-N960 PolarHBondContact N-OD1 3.16Å
954	T	82.7	Confident	86.6	Confident	3 Å²	3	19.9 Å²	19.9	2%	0.018	10%	0.104	C	C	.	.			trans	-61.1	154.6	175.6	49.9	0	0	0	0	111.7	E611 D956 Q957 Y959 L961	E611-T954 WeakPolarHBondContact OE2-CA 3.28Å; E611-T954 WeakPolarHBondContact OE2-CB 3.03Å; T954-D956 WeakPolarHBondContact CB-OD1 3.39Å; T954-D956 PolarHBondContact O-N 3.27Å; T954-D956 VanDerWaalsContact O-N 3.15Å; T954-D956 PolarHBondContact OG1-OD1 3.29Å; T954-Q957 WeakPolarHBondContact O-CA 3.42Å; T954-Q957 PolarHBondContact O-N 2.95Å; T954-Y959 HydrophobicContact CG2-CD2 4.38Å; T954-Y959 PolarHBondContact N-O 3.47Å; T954-Y959 PolarHBondContact OG1-N 3.04Å; T954-Y959 VanDerWaalsContact OG1-N 3.12Å; T954-Y959 PolarHBondContact OG1-O 2.89Å; T954-L961 HydrophobicContact CG2-CD1 4.05Å; T954-L961 HydrophobicContact CG2-CG 4.3Å
955	S	78.9	Confident	86.8	Confident	40 Å²	40	16.9 Å²	16.9	28%	0.28	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-26.4	-177.4	59.5	0	0	0	0	113.5	H589 E611 Q957	H589-S955 PolarHBondContact CD2-OG 3.05Å; E611-S955 PolarHBondContact OE2-N 3.09Å; E611-S955 PolarHBondContact OE2-OG 3.19Å; S955-Q957 VanDerWaalsContact C-N 3.32Å
956	D	72.5	Confident	86.8	Confident	46 Å²	46	20.3 Å²	20.3	25%	0.246	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-4.1	173.6	67.3	9.4	0	0	0	114.6	T954 R958	T954-D956 WeakPolarHBondContact CB-OD1 3.39Å; T954-D956 PolarHBondContact O-N 3.27Å; T954-D956 VanDerWaalsContact O-N 3.15Å; T954-D956 PolarHBondContact OG1-OD1 3.29Å; D956-R958 PolarHBondContact O-N 2.91Å; D956-R958 WeakPolarHBondContact OD1-CB 3.44Å; D956-R958 PolarHBondContact OD1-N 3.46Å; D956-R958 IonicContact OD1-NE 2.83Å; D956-R958 IonicContact OD2-CZ 3.5Å; D956-R958 IonicContact OD2-NE 2.84Å; D956-R958 PolarHBondContact OD2-NE 3.11Å; D956-R958 IonicContact OD2-NH2 2.89Å; D956-R958 PolarHBondContact OD2-NH2 3.36Å
957	Q	77.4	Confident	86.8	Confident	61 Å²	61	20.4 Å²	20.4	29%	0.285	10%	0.103	S	C	.	.	S	Bend	trans	60.3	21.4	-179.6	-54.1	178.8	10.4	0	0	114.9	N879 L953 T954 S955	N879-Q957 PolarHBondContact N-O 3Å; N879-Q957 VanDerWaalsContact ND2-CB 3.3Å; N879-Q957 WeakPolarHBondContact ND2-CB 3.42Å; N879-Q957 PolarHBondContact ND2-OE1 2.83Å; L953-Q957 HydrophobicContact CD2-CB 3.97Å; L953-Q957 HydrophobicContact CD2-CG 3.79Å; L953-Q957 HydrophobicContact CG-CB 4.36Å; L953-Q957 HydrophobicContact CG-CG 4.38Å; T954-Q957 WeakPolarHBondContact O-CA 3.42Å; T954-Q957 PolarHBondContact O-N 2.95Å; S955-Q957 VanDerWaalsContact C-N 3.32Å
958	R	71.2	Confident	86.4	Confident	53 Å²	53	23.2 Å²	23.2	20%	0.2	12%	0.122	C	C	.	.	S	Bend	trans	-87.7	-25.3	177.6	-68.5	-170.3	-65.3	151.8	2.2	114.5	H614 D956	H614-R958 PolarHBondContact CD2-NH2 3.12Å; H614-R958 PolarHBondContact NE2-NH2 3Å; D956-R958 PolarHBondContact O-N 2.91Å; D956-R958 WeakPolarHBondContact OD1-CB 3.44Å; D956-R958 PolarHBondContact OD1-N 3.46Å; D956-R958 IonicContact OD1-NE 2.83Å; D956-R958 IonicContact OD2-CZ 3.5Å; D956-R958 IonicContact OD2-NE 2.84Å; D956-R958 PolarHBondContact OD2-NE 3.11Å; D956-R958 IonicContact OD2-NH2 2.89Å; D956-R958 PolarHBondContact OD2-NH2 3.36Å
959	Y	80.5	Confident	86.2	Confident	38 Å²	38	29 Å²	29	15%	0.149	15%	0.15	C	C	.	.			trans	-140	137.6	-171	-51.1	-73.8	0	0	0	112.2	P627 L953 T954 M981 I982 F983	P627-Y959 HydrophobicContact CB-CD2 4.15Å; P627-Y959 HydrophobicContact CB-CE2 4.41Å; L953-Y959 WeakPolarHBondContact CA-O 3.35Å; T954-Y959 HydrophobicContact CG2-CD2 4.38Å; T954-Y959 PolarHBondContact N-O 3.47Å; T954-Y959 PolarHBondContact OG1-N 3.04Å; T954-Y959 VanDerWaalsContact OG1-N 3.12Å; T954-Y959 PolarHBondContact OG1-O 2.89Å; Y959-M981 HydrophobicContact CD1-CE 4.19Å; Y959-M981 HydrophobicContact CD1-CG 3.96Å; Y959-M981 HydrophobicContact CD1-SD 3.5Å; Y959-M981 VanDerWaalsContact CD1-SD 3.5Å; Y959-M981 HydrophobicContact CE1-CE 4.29Å; Y959-M981 HydrophobicContact CE1-SD 4.06Å; Y959-M981 HydrophobicContact CG-CG 4.29Å; Y959-M981 HydrophobicContact CG-SD 3.83Å; Y959-I982 WeakPolarHBondContact CA-O 3.43Å; Y959-F983 HydrophobicContact CD1-CB 3.96Å; Y959-F983 HydrophobicContact CE1-CB 4.19Å
960	N	86.2	Confident	85.8	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	125.3	159.5	-88.2	-77.3	0	0	0	109.9	T875 Y876 P878 T952 L953 M981 I982	T875-N960 WeakPolarHBondContact CB-OD1 3.39Å; T875-N960 WeakPolarHBondContact CG2-OD1 3.45Å; T875-N960 PolarHBondContact OG1-OD1 2.92Å; Y876-N960 PolarHBondContact O-ND2 3.35Å; P878-N960 WeakPolarHBondContact CD-ND2 3.42Å; T952-N960 WeakPolarHBondContact O-CA 3.33Å; T952-N960 PolarHBondContact O-OD1 3.06Å; L953-N960 WeakPolarHBondContact CD1-ND2 3.42Å; L953-N960 PolarHBondContact N-OD1 3.16Å; N960-M981 WeakPolarHBondContact O-CA 3.38Å; N960-I982 HydrophobicContact CB-CB 4.22Å; N960-I982 PolarHBondContact N-O 2.96Å; N960-I982 PolarHBondContact O-N 3.25Å
961	L	88.8	Confident	85.2	Confident	4 Å²	4	35.6 Å²	35.6	2%	0.021	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	128.4	175.6	-63.1	175.5	0	0	0	109.6	I591 P627 V628 T951 T952 T954 F963 M981	I591-L961 HydrophobicContact CD1-CD1 3.82Å; P627-L961 HydrophobicContact CG-CD2 4.47Å; V628-L961 HydrophobicContact CG1-CD1 3.92Å; V628-L961 HydrophobicContact CG2-CD1 4Å; T951-L961 VanDerWaalsContact CA-O 3.3Å; T951-L961 WeakPolarHBondContact CA-O 3.37Å; T952-L961 PolarHBondContact N-O 3.01Å; T952-L961 PolarHBondContact O-N 3.36Å; T954-L961 HydrophobicContact CG2-CD1 4.05Å; T954-L961 HydrophobicContact CG2-CG 4.3Å; L961-F963 HydrophobicContact CB-CD2 4.21Å; L961-F963 HydrophobicContact CB-CE2 3.41Å; L961-F963 VanDerWaalsContact CB-CE2 3.41Å; L961-F963 HydrophobicContact CB-CZ 3.9Å; L961-F963 HydrophobicContact CD1-CE2 4.4Å; L961-F963 HydrophobicContact CD1-CZ 4.17Å; L961-M981 HydrophobicContact CD2-CB 4.11Å; L961-M981 HydrophobicContact CD2-CG 3.98Å; L961-M981 HydrophobicContact CD2-SD 4.32Å
962	V	91.6	Very high	84.5	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	105.7	-172.6	-170.6	0	0	0	0	109.4	V914 L942 T951 I979 E980 I982	V914-V962 HydrophobicContact CG1-CG1 3.98Å; V914-V962 HydrophobicContact CG1-CG2 4.37Å; L942-V962 HydrophobicContact CD1-CG1 4.4Å; L942-V962 HydrophobicContact CD2-CB 4.45Å; L942-V962 HydrophobicContact CD2-CG1 4.13Å; L942-V962 HydrophobicContact CD2-CG2 4.03Å; T951-V962 HydrophobicContact CG2-CB 4.22Å; T951-V962 HydrophobicContact CG2-CG1 3.95Å; T951-V962 HydrophobicContact CG2-CG2 3.96Å; V962-I979 WeakPolarHBondContact O-CA 3.26Å; V962-E980 HydrophobicContact CB-CB 4.2Å; V962-E980 PolarHBondContact N-O 3.02Å; V962-E980 PolarHBondContact O-N 2.78Å; V962-I982 HydrophobicContact CG2-CD1 3.71Å; V962-I982 HydrophobicContact CG2-CG1 3.82Å
963	F	92.6	Very high	84.2	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	136.9	-171.4	-66.1	-94.8	0	0	0	112.7	M571 F578 I580 I591 I593 F609 C949 C950 T952 L961 I979	M571-F963 HydrophobicContact CG-CD1 4.24Å; M571-F963 HydrophobicContact SD-CB 3.99Å; M571-F963 HydrophobicContact SD-CD1 4.28Å; F578-F963 HydrophobicContact CE2-CB 4.18Å; F578-F963 HydrophobicContact CZ-CB 3.91Å; F578-F963 WeakPolarHBondContact CZ-O 3.46Å; I580-F963 HydrophobicContact CD1-CD2 3.29Å; I580-F963 HydrophobicContact CD1-CE2 3.52Å; I580-F963 HydrophobicContact CD1-CG 4.02Å; I580-F963 HydrophobicContact CD1-CZ 4.41Å; I591-F963 HydrophobicContact CD1-CZ 4.34Å; I591-F963 HydrophobicContact CG2-CE2 4.33Å; I591-F963 HydrophobicContact CG2-CZ 4.27Å; I593-F963 HydrophobicContact CD1-CB 4.26Å; I593-F963 HydrophobicContact CD1-CD1 3.46Å; I593-F963 VanDerWaalsContact CD1-CD1 3.46Å; I593-F963 HydrophobicContact CD1-CE1 3.96Å; I593-F963 HydrophobicContact CD1-CG 4.01Å; I593-F963 HydrophobicContact CG1-CD1 4.46Å; F609-F963 HydrophobicContact CD2-CE1 4.13Å; F609-F963 HydrophobicContact CE1-CE1 4.27Å; F609-F963 HydrophobicContact CE2-CD1 4.44Å; F609-F963 AromaticContact CE2-CE1 3.89Å; F609-F963 HydrophobicContact CE2-CE1 3.89Å; F609-F963 HydrophobicContact CG-CE1 4.46Å; F609-F963 HydrophobicContact CZ-CD1 4.49Å; F609-F963 AromaticContact CZ-CE1 3.94Å; F609-F963 HydrophobicContact CZ-CE1 3.94Å; C949-F963 VanDerWaalsContact CB-O 3.31Å; C949-F963 WeakPolarHBondContact CB-O 3.46Å; C950-F963 PolarHBondContact N-O 2.88Å; C950-F963 PolarHBondContact O-N 3.22Å; T952-F963 HydrophobicContact CG2-CE2 4.11Å; L961-F963 HydrophobicContact CB-CD2 4.21Å; L961-F963 HydrophobicContact CB-CE2 3.41Å; L961-F963 VanDerWaalsContact CB-CE2 3.41Å; L961-F963 HydrophobicContact CB-CZ 3.9Å; L961-F963 HydrophobicContact CD1-CE2 4.4Å; L961-F963 HydrophobicContact CD1-CZ 4.17Å; F963-I979 HydrophobicContact CD1-CB 4.5Å; F963-I979 HydrophobicContact CD1-CD1 3.91Å; F963-I979 HydrophobicContact CD1-CG1 3.68Å; F963-I979 HydrophobicContact CD1-CG2 4.14Å; F963-I979 HydrophobicContact CE1-CD1 3.66Å; F963-I979 HydrophobicContact CE1-CG1 3.9Å; F963-I979 HydrophobicContact CE1-CG2 3.99Å; F963-I979 HydrophobicContact CZ-CG2 4.3Å
964	G	90.5	Very high	84.1	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	54.3	-144.3	159.5	0	0	0	0	0	115.5	M571 R946 S976 T978	M571-G964 PolarHBondContact SD-N 2.87Å; M571-G964 VanDerWaalsContact SD-N 3.45Å; R946-G964 WeakPolarHBondContact CD-O 3.33Å; R946-G964 PolarHBondContact NH1-O 2.67Å; G964-S976 WeakPolarHBondContact CA-O 3.46Å; G964-T978 PolarHBondContact N-O 2.74Å
965	G	90.8	Very high	84.3	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	103	-160.2	179.3	0	0	0	0	0	113.5	R575 S947 S948 F975 S976	R575-G965 PolarHBondContact O-N 2.96Å; S947-G965 CarbonylContact O-C 3.58Å; S947-G965 WeakPolarHBondContact O-CA 3.28Å; S948-G965 WeakPolarHBondContact O-CA 3.41Å; G965-F975 WeakPolarHBondContact O-CA 3.25Å; G965-S976 PolarHBondContact O-N 3.42Å
966	Y	89.9	Confident	84.8	Confident	78 Å²	78	42.9 Å²	42.9	31%	0.306	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	128.5	-169.6	-171	-102	0	0	0	112.7	S947 P968 G974 F975	S947-Y966 PolarHBondContact N-O 2.82Å; S947-Y966 PolarHBondContact O-N 2.84Å; S947-Y966 PolarHBondContact OG-O 3.02Å; Y966-P968 HydrophobicContact CE1-CB 4.34Å; Y966-P968 HydrophobicContact CE1-CG 4.03Å; Y966-G974 CarbonylContact C-O 3.57Å; Y966-G974 VanDerWaalsContact CA-O 3.26Å; Y966-G974 WeakPolarHBondContact CA-O 3.43Å; Y966-G974 VanDerWaalsContact CD2-C 3.47Å; Y966-G974 WeakPolarHBondContact CD2-O 3.48Å; Y966-F975 AromaticContact CD2-CD1 3.94Å; Y966-F975 HydrophobicContact CD2-CD1 3.94Å; Y966-F975 AromaticContact CD2-CE1 3.87Å; Y966-F975 HydrophobicContact CD2-CE1 3.87Å; Y966-F975 HydrophobicContact CD2-CE2 4.46Å; Y966-F975 HydrophobicContact CD2-CG 4.28Å; Y966-F975 HydrophobicContact CD2-CZ 4.14Å; Y966-F975 HydrophobicContact CE2-CE1 4.26Å; Y966-F975 HydrophobicContact CE2-CE2 4.2Å; Y966-F975 HydrophobicContact CE2-CZ 4.05Å
967	N	91.2	Very high	85.5	Confident	2 Å²	2	42.6 Å²	42.6	1%	0.011	21%	0.212	C	C	.	.			trans	-152.8	111	164.3	-175.1	-24.8	0	0	0	109.7	T922 A945 L969 K970 F971 G974	T922-N967 HydrophobicContact CG2-CB 4.3Å; T922-N967 PolarHBondContact OG1-ND2 3.07Å; A945-N967 WeakPolarHBondContact O-CB 3.15Å; A945-N967 PolarHBondContact O-ND2 3.44Å; N967-L969 VanDerWaalsContact C-N 3.26Å; N967-L969 PolarHBondContact O-N 2.69Å; N967-L969 WeakPolarHBondContact OD1-CA 3.43Å; N967-L969 WeakPolarHBondContact OD1-CB 3.22Å; N967-L969 PolarHBondContact OD1-N 2.97Å; N967-K970 HydrophobicContact CB-CB 4.2Å; N967-K970 VanDerWaalsContact ND2-CG 3.26Å; N967-K970 WeakPolarHBondContact ND2-CG 3.25Å; N967-K970 PolarHBondContact OD1-N 3.48Å; N967-F971 HydrophobicContact CB-CD2 3.75Å; N967-F971 HydrophobicContact CB-CE2 3.76Å; N967-F971 WeakPolarHBondContact O-CD2 3.36Å; N967-F971 PolarHBondContact O-N 3.11Å; N967-F971 VanDerWaalsContact O-N 3.14Å; N967-G974 CarbonylContact C-O 3.57Å; N967-G974 PolarHBondContact N-O 3.41Å
968	P	84.4	Confident	86	Confident	73 Å²	73	40.4 Å²	40.4	47%	0.474	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-14.1	-177.7	31.7	-34.1	0	0	0	113.9	Y966	Y966-P968 HydrophobicContact CE1-CB 4.34Å; Y966-P968 HydrophobicContact CE1-CG 4.03Å
969	L	87.2	Confident	86.8	Confident	146 Å²	146	38.5 Å²	38.5	76%	0.764	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-22.2	-180	-55.3	178.8	0	0	0	112.8	N967	N967-L969 VanDerWaalsContact C-N 3.26Å; N967-L969 PolarHBondContact O-N 2.69Å; N967-L969 WeakPolarHBondContact OD1-CA 3.43Å; N967-L969 WeakPolarHBondContact OD1-CB 3.22Å; N967-L969 PolarHBondContact OD1-N 2.97Å
970	K	83.8	Confident	87.1	Confident	130 Å²	130	36.8 Å²	36.8	57%	0.565	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.8	-29.8	-179	-66.4	-74.8	-174.6	163.8	0	113.9	N967	N967-K970 HydrophobicContact CB-CB 4.2Å; N967-K970 VanDerWaalsContact ND2-CG 3.26Å; N967-K970 WeakPolarHBondContact ND2-CG 3.25Å; N967-K970 PolarHBondContact OD1-N 3.48Å
971	F	81.1	Confident	87	Confident	27 Å²	27	37.4 Å²	37.4	12%	0.118	19%	0.192	C	C	.	.	S	Bend	trans	-115.4	130.4	-175.5	-52.5	-66.7	0	0	0	111.9	F944 N967 T973 G974 S976 T978	F944-F971 HydrophobicContact CB-CE1 4.46Å; F944-F971 HydrophobicContact CB-CZ 3.82Å; F944-F971 HydrophobicContact CD1-CE1 4.48Å; F944-F971 HydrophobicContact CG-CE1 4.43Å; F944-F971 HydrophobicContact CG-CZ 4.26Å; N967-F971 HydrophobicContact CB-CD2 3.75Å; N967-F971 HydrophobicContact CB-CE2 3.76Å; N967-F971 WeakPolarHBondContact O-CD2 3.36Å; N967-F971 PolarHBondContact O-N 3.11Å; N967-F971 VanDerWaalsContact O-N 3.14Å; F971-T973 PolarHBondContact O-N 3.12Å; F971-G974 WeakPolarHBondContact O-CA 3.3Å; F971-G974 PolarHBondContact O-N 2.95Å; F971-S976 WeakPolarHBondContact CZ-OG 3.45Å; F971-T978 HydrophobicContact CE1-CG2 4.44Å
972	N	77.8	Confident	86.6	Confident	163 Å²	163	37.2 Å²	37.2	87%	0.872	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-27.9	-178.4	-71.7	-15.2	0	0	0	114.4	R599	R599-N972 PolarHBondContact NH2-O 3.02Å
973	T	82	Confident	85.6	Confident	58 Å²	58	40 Å²	40	36%	0.356	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-12.4	175.5	79.5	0	0	0	0	113.2	R599 F971 F975	R599-T973 VanDerWaalsContact CZ-O 3.25Å; R599-T973 PolarHBondContact NE-O 3.02Å; R599-T973 VanDerWaalsContact NH2-CA 3.34Å; R599-T973 PolarHBondContact NH2-O 3.23Å; F971-T973 PolarHBondContact O-N 3.12Å; T973-F975 WeakPolarHBondContact O-CD2 3.48Å; T973-F975 PolarHBondContact O-N 3.09Å; T973-F975 WeakPolarHBondContact OG1-CA 3.17Å; T973-F975 WeakPolarHBondContact OG1-CB 3.39Å; T973-F975 PolarHBondContact OG1-N 3.09Å; T973-F975 PolarHBondContact OG1-O 3.39Å
974	G	85.3	Confident	85.3	Confident	3 Å²	3	42 Å²	42	3%	0.031	21%	0.214	C	C	.	.	S	Bend	trans	81.1	-28.8	-159.9	0	0	0	0	0	113.4	Y966 N967 F971	Y966-G974 CarbonylContact C-O 3.57Å; Y966-G974 VanDerWaalsContact CA-O 3.26Å; Y966-G974 WeakPolarHBondContact CA-O 3.43Å; Y966-G974 VanDerWaalsContact CD2-C 3.47Å; Y966-G974 WeakPolarHBondContact CD2-O 3.48Å; N967-G974 CarbonylContact C-O 3.57Å; N967-G974 PolarHBondContact N-O 3.41Å; F971-G974 WeakPolarHBondContact O-CA 3.3Å; F971-G974 PolarHBondContact O-N 2.95Å
975	F	87.3	Confident	85	Confident	18 Å²	18	44.2 Å²	44.2	8%	0.079	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	145	179.9	-53.9	-89.9	0	0	0	111.1	A574 Y597 N598 R599 G965 Y966 T973	A574-F975 HydrophobicContact CB-CB 4Å; Y597-F975 AromaticContact CD2-CE1 3.81Å; Y597-F975 HydrophobicContact CD2-CE1 3.81Å; Y597-F975 AromaticContact CD2-CZ 3.96Å; Y597-F975 HydrophobicContact CD2-CZ 3.96Å; Y597-F975 AromaticContact CE2-CE1 3.55Å; Y597-F975 HydrophobicContact CE2-CE1 3.55Å; Y597-F975 AromaticContact CE2-CZ 3.69Å; Y597-F975 HydrophobicContact CE2-CZ 3.69Å; Y597-F975 WeakPolarHBondContact O-CE1 3.48Å; N598-F975 HydrophobicContact CB-CD1 4.24Å; N598-F975 HydrophobicContact CB-CD2 4.27Å; N598-F975 HydrophobicContact CB-CE1 4.49Å; N598-F975 HydrophobicContact CB-CG 4.14Å; R599-F975 HydrophobicContact CG-CD2 4.05Å; R599-F975 HydrophobicContact CG-CE2 3.67Å; G965-F975 WeakPolarHBondContact O-CA 3.25Å; Y966-F975 AromaticContact CD2-CD1 3.94Å; Y966-F975 HydrophobicContact CD2-CD1 3.94Å; Y966-F975 AromaticContact CD2-CE1 3.87Å; Y966-F975 HydrophobicContact CD2-CE1 3.87Å; Y966-F975 HydrophobicContact CD2-CE2 4.46Å; Y966-F975 HydrophobicContact CD2-CG 4.28Å; Y966-F975 HydrophobicContact CD2-CZ 4.14Å; Y966-F975 HydrophobicContact CE2-CE1 4.26Å; Y966-F975 HydrophobicContact CE2-CE2 4.2Å; Y966-F975 HydrophobicContact CE2-CZ 4.05Å; T973-F975 WeakPolarHBondContact O-CD2 3.48Å; T973-F975 PolarHBondContact O-N 3.09Å; T973-F975 WeakPolarHBondContact OG1-CA 3.17Å; T973-F975 WeakPolarHBondContact OG1-CB 3.39Å; T973-F975 PolarHBondContact OG1-N 3.09Å; T973-F975 PolarHBondContact OG1-O 3.39Å
976	S	87.9	Confident	84.7	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	144.2	175.8	-170.7	0	0	0	0	112.4	A574 R575 G964 G965 F971 T978	A574-S976 VanDerWaalsContact CA-O 3.28Å; A574-S976 WeakPolarHBondContact CA-O 3.3Å; R575-S976 PolarHBondContact N-O 3.34Å; G964-S976 WeakPolarHBondContact CA-O 3.46Å; G965-S976 PolarHBondContact O-N 3.42Å; F971-S976 WeakPolarHBondContact CZ-OG 3.45Å; S976-T978 PolarHBondContact OG-N 2.73Å; S976-T978 PolarHBondContact OG-OG1 3.46Å
977	D	87.7	Confident	84.4	Confident	41 Å²	41	44.8 Å²	44.8	22%	0.219	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	-0.7	165.4	60.9	-27.6	0	0	0	112.4	R570 M571 A574	R570-D977 WeakPolarHBondContact CD-OD2 3.44Å; R570-D977 IonicContact CZ-OD2 3.96Å; R570-D977 IonicContact NE-OD2 2.67Å; R570-D977 IonicContact NH1-OD1 2.71Å; R570-D977 PolarHBondContact NH1-OD1 2.65Å; R570-D977 IonicContact NH1-OD2 3.52Å; R570-D977 PolarHBondContact NH1-OD2 3.47Å; M571-D977 HydrophobicContact CB-CB 4.37Å; M571-D977 PolarHBondContact N-O 2.92Å; A574-D977 HydrophobicContact CB-CB 3.96Å
978	T	88.2	Confident	84	Confident	14 Å²	14	47.4 Å²	47.4	9%	0.086	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	144.8	-172.2	70.1	0	0	0	0	112.8	R946 G964 F971 S976	R946-T978 PolarHBondContact NH1-O 3.33Å; R946-T978 PolarHBondContact NH2-OG1 2.75Å; G964-T978 PolarHBondContact N-O 2.74Å; F971-T978 HydrophobicContact CE1-CG2 4.44Å; S976-T978 PolarHBondContact OG-N 2.73Å; S976-T978 PolarHBondContact OG-OG1 3.46Å
979	I	87.6	Confident	83.9	Confident	13 Å²	13	45.7 Å²	45.7	7%	0.067	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	130.2	177.7	-51.5	169.3	0	0	0	107.2	L569 M571 F609 V962 F963	L569-I979 HydrophobicContact CD2-CD1 3.75Å; L569-I979 HydrophobicContact CG-CD1 3.87Å; M571-I979 HydrophobicContact CG-CD1 4.5Å; M571-I979 HydrophobicContact CG-CG1 4.31Å; F609-I979 HydrophobicContact CD1-CD1 4.48Å; F609-I979 HydrophobicContact CE1-CD1 3.48Å; F609-I979 VanDerWaalsContact CE1-CD1 3.48Å; F609-I979 HydrophobicContact CZ-CD1 3.63Å; V962-I979 WeakPolarHBondContact O-CA 3.26Å; F963-I979 HydrophobicContact CD1-CB 4.5Å; F963-I979 HydrophobicContact CD1-CD1 3.91Å; F963-I979 HydrophobicContact CD1-CG1 3.68Å; F963-I979 HydrophobicContact CD1-CG2 4.14Å; F963-I979 HydrophobicContact CE1-CD1 3.66Å; F963-I979 HydrophobicContact CE1-CG1 3.9Å; F963-I979 HydrophobicContact CE1-CG2 3.99Å; F963-I979 HydrophobicContact CZ-CG2 4.3Å
980	E	87	Confident	83.7	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.009	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	159.2	170.3	-69.9	178.3	-131.1	0	0	110.2	L942 I943 F944 R946 V962	L942-E980 WeakPolarHBondContact CA-OE2 3.48Å; L942-E980 WeakPolarHBondContact CB-OE2 3.28Å; I943-E980 HydrophobicContact CD1-CG 4.33Å; I943-E980 PolarHBondContact N-OE2 3.18Å; F944-E980 WeakPolarHBondContact CB-OE1 3.35Å; F944-E980 WeakPolarHBondContact CD2-OE1 3.47Å; F944-E980 PolarHBondContact N-OE1 3.02Å; R946-E980 IonicContact CZ-OE1 2.64Å; R946-E980 IonicContact NE-OE1 3.85Å; R946-E980 IonicContact NH2-OE1 2.79Å; R946-E980 PolarHBondContact NH2-OE1 3.21Å; V962-E980 HydrophobicContact CB-CB 4.2Å; V962-E980 PolarHBondContact N-O 3.02Å; V962-E980 PolarHBondContact O-N 2.78Å
981	M	83.3	Confident	83.7	Confident	13 Å²	13	31.5 Å²	31.5	6%	0.064	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	131.8	-177.6	-174.8	173	69.9	0	0	111	P627 I890 L896 Y959 N960 L961	P627-M981 HydrophobicContact CG-SD 3.97Å; I890-M981 WeakPolarHBondContact CA-O 3.24Å; L896-M981 HydrophobicContact CD1-CE 4.07Å; L896-M981 HydrophobicContact CD2-CE 4.33Å; Y959-M981 HydrophobicContact CD1-CE 4.19Å; Y959-M981 HydrophobicContact CD1-CG 3.96Å; Y959-M981 HydrophobicContact CD1-SD 3.5Å; Y959-M981 VanDerWaalsContact CD1-SD 3.5Å; Y959-M981 HydrophobicContact CE1-CE 4.29Å; Y959-M981 HydrophobicContact CE1-SD 4.06Å; Y959-M981 HydrophobicContact CG-CG 4.29Å; Y959-M981 HydrophobicContact CG-SD 3.83Å; N960-M981 WeakPolarHBondContact O-CA 3.38Å; L961-M981 HydrophobicContact CD2-CB 4.11Å; L961-M981 HydrophobicContact CD2-CG 3.98Å; L961-M981 HydrophobicContact CD2-SD 4.32Å
982	I	81.5	Confident	83.9	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	130.1	177.2	-39.8	-178.8	0	0	0	108.6	V888 I890 L912 V914 T926 P940 L942 Y959 N960 V962	V888-I982 HydrophobicContact CG1-CG2 4.19Å; I890-I982 HydrophobicContact CD1-CD1 4.19Å; I890-I982 HydrophobicContact CD1-CG1 3.86Å; I890-I982 HydrophobicContact CD1-CG2 4.28Å; I890-I982 HydrophobicContact CG1-CB 4.15Å; I890-I982 HydrophobicContact CG1-CG1 3.88Å; I890-I982 HydrophobicContact CG1-CG2 3.96Å; L912-I982 HydrophobicContact CD2-CD1 3.88Å; L912-I982 HydrophobicContact CD2-CG2 4.44Å; V914-I982 HydrophobicContact CG2-CD1 4.12Å; T926-I982 HydrophobicContact CG2-CD1 4.37Å; P940-I982 HydrophobicContact CG-CG2 3.66Å; L942-I982 HydrophobicContact CD2-CD1 4.3Å; Y959-I982 WeakPolarHBondContact CA-O 3.43Å; N960-I982 HydrophobicContact CB-CB 4.22Å; N960-I982 PolarHBondContact N-O 2.96Å; N960-I982 PolarHBondContact O-N 3.25Å; V962-I982 HydrophobicContact CG2-CD1 3.71Å; V962-I982 HydrophobicContact CG2-CG1 3.82Å
983	F	71.2	Confident	84.5	Confident	58 Å²	58	20 Å²	20	25%	0.254	11%	0.106	S	C	.	.			trans	-131.3	0	177.6	58.6	-96.2	0	0	0	111.7	V888 S889 V891 Y959	V888-F983 CarbonylContact C-O 3.54Å; V888-F983 WeakPolarHBondContact CA-O 3.45Å; V888-F983 WeakPolarHBondContact CG1-O 3.29Å; S889-F983 PolarHBondContact N-O 2.99Å; S889-F983 WeakPolarHBondContact O-CD1 3.49Å; S889-F983 PolarHBondContact O-N 3.31Å; V891-F983 HydrophobicContact CB-CE1 4.12Å; V891-F983 HydrophobicContact CG2-CE1 3.71Å; V891-F983 HydrophobicContact CG2-CZ 4.03Å; Y959-F983 HydrophobicContact CD1-CB 3.96Å; Y959-F983 HydrophobicContact CE1-CB 4.19Å

Retrieved 983 of 983 residues in 1170.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).