A0A077ZER4_TRITR Loading...

C2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZER4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 946 aa.

						>A0A077ZER4_TRITR|A0A077ZER4
MDISIAEELNEQPSTNAQYMTASVGAACTPKKAGFLAIQNLISLPVVYCIKQSEAKQFEILPALGLVDPYAIRFVRITVAEKLTVPFNKNVKVNVYSVIAPRRMDAHSDIKATEIWKTTKTSEKKVQSISICPGIKMHAERSVATVDQSLRKTKSAKATKQLPKEKDKLGGFHKANIGTGLLDEHCSPKNNLVLAPTSGITNQRFHANDDMFNYFTSPAYKNDAWDARTIELLKEAQRDLRASHAEREKKVARSLGSGEDGKCIDKFYEEENICINRKITGIATPEGTSRCLTSEPEQHSSLCSLGTLETMSRKSLTTSEVGRSFATQTESAPLGASNTPRNPSWLHLVLICHLLQNLLMPGTLQVRVIAGRGLPVMDRASETTDAFVEVKFGSTVYRTEIYPKSLNPKWNSDWFLFEADDATLQDECLQLRVMDYDTYSANDAVGRVYIGLSPLLSGRGSQIAGWFPIYDTMHGIRGEINVIVRLNLFADISQFRESSCDIEVFATSGLPFGRALLAIRGFVDELIANNDPEHEWIDKIRTPRASNEARQTLFAKMAGQLMRRIGKKVSEMGGNAIIGYRQYFDFEGESGVVIRGNGTAVTMEKVTQEYPFLTIISIPPSLLIHLVGAVAAHSVKLVRNVENAEDRFSWWRELRLEIYGHMKALNCNAVVGYREEVKISGETCILSVAGTAAVLDFTILPSSIIIHSKIKTDGPLHVDTSSVNHRWLFEAQALNEGTDDIRSCKLFHLPPNENALHSAFNSGVCCVCSKEMVPEMIVCTIDPPLELSPSLDAVIVQARIVRKKANLTGEPLAKHISSVLPFAEHDLHSQLMSQTQALGRNAVFGLRREFAIGNQFLIILLTGTAVLLPSLVSPVRTIPVTSVEGSTVLTQKEQSASFQQQSSTVLKTQTSVSGEGTNAKASKKPECSLATIIANNEQLTALPVIL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	21	Very low	24.5	Very low	222 Å²	222	147.6 Å²	147.6	100%	1.094	78%	0.783	S	S	*	*				0	107.4	0	-73.5	164.4	169	0	0	106.7	I3	M1-I3 HydrophobicContact CB-CD1 4.49Å; M1-I3 HydrophobicContact CB-CG1 4.3Å
2	D	21.9	Very low	24.8	Very low	115 Å²	115	151.7 Å²	151.7	62%	0.615	79%	0.794	S	S	*	*			trans	-85.6	111.8	158.8	-81.1	-18.2	0	0	0	105.5	R76	D2-R76 IonicContact OD1-CZ 3.11Å; D2-R76 IonicContact OD1-NH1 2.65Å; D2-R76 PolarHBondContact OD1-NH1 3.48Å; D2-R76 IonicContact OD1-NH2 2.84Å; D2-R76 IonicContact OD2-CZ 2.73Å; D2-R76 IonicContact OD2-NH1 3.59Å; D2-R76 PolarHBondContact OD2-NH1 2.89Å; D2-R76 IonicContact OD2-NH2 3.24Å; D2-R76 PolarHBondContact OD2-NH2 2.73Å
3	I	22.6	Very low	25.5	Very low	131 Å²	131	148.6 Å²	148.6	67%	0.672	79%	0.789	S	S	*	*			trans	-103.7	103.1	174.4	-68.8	174.6	0	0	0	106.9	M1 I5	M1-I3 HydrophobicContact CB-CD1 4.49Å; M1-I3 HydrophobicContact CB-CG1 4.3Å; I3-I5 HydrophobicContact CG2-CD1 3.91Å; I3-I5 HydrophobicContact CG2-CG1 3.9Å; I3-I5 PolarHBondContact O-N 3.12Å
4	S	22.8	Very low	25.8	Very low	116 Å²	116	146.4 Å²	146.4	81%	0.811	79%	0.792	S	S	*	*			trans	-80.2	110.4	171.1	-58	0	0	0	0	108.9
5	I	23.5	Very low	26.4	Very low	137 Å²	137	144.9 Å²	144.9	70%	0.703	79%	0.789	S	S	*	*			trans	-117.4	114.1	163.5	-65.5	168.7	0	0	0	106.7	I3	I3-I5 HydrophobicContact CG2-CD1 3.91Å; I3-I5 HydrophobicContact CG2-CG1 3.9Å; I3-I5 PolarHBondContact O-N 3.12Å
6	A	23.9	Very low	26.8	Very low	86 Å²	86	146.8 Å²	146.8	71%	0.711	80%	0.798	S	S	*	*			trans	-142.6	47.7	-178.8	0	0	0	0	0	109.6
7	E	24.6	Very low	27.1	Very low	168 Å²	168	140.4 Å²	140.4	79%	0.785	77%	0.77	S	S	*	*			trans	-95.6	136.1	-179.2	-71.2	178.7	134.2	0	0	111.1
8	E	25.1	Very low	27.7	Very low	166 Å²	166	136.9 Å²	136.9	78%	0.776	75%	0.748	S	S	*	*			trans	44.1	73.3	156.9	-51.1	-157.5	131.3	0	0	119.8
9	L	28.4	Very low	28	Very low	171 Å²	171	136.6 Å²	136.6	90%	0.895	74%	0.736	S	S	*	*			trans	-87.8	100.2	134.1	-87.2	169.5	0	0	0	108	E11	L9-E11 PolarHBondContact O-N 3.08Å
10	N	25.7	Very low	28.4	Very low	144 Å²	144	130.8 Å²	130.8	77%	0.77	70%	0.703	S	S	*	*			trans	-100.5	48.8	-174.9	-160.2	11.4	0	0	0	112.5
11	E	29.8	Very low	28.8	Very low	168 Å²	168	127 Å²	127	79%	0.785	69%	0.685	S	S	*	*	S	Bend	trans	-123.9	137	169.3	-67.8	-166.8	142.5	0	0	109.2	L9 P13	L9-E11 PolarHBondContact O-N 3.08Å; E11-P13 WeakPolarHBondContact O-CD 3.44Å
12	Q	27.8	Very low	29.7	Very low	196 Å²	196	116.8 Å²	116.8	92%	0.916	64%	0.636	S	S	*	*			trans	-76.2	113	-178.8	-69.3	-172.9	-4.5	0	0	111.3	S14	Q12-S14 PolarHBondContact O-N 3.37Å
13	P	34.6	Very low	30.5	Very low	112 Å²	112	113 Å²	113	73%	0.727	62%	0.619	S	S	*	*			trans	-88.3	104.5	175.4	11.3	8.5	0	0	0	108.8	E11 T15	E11-P13 WeakPolarHBondContact O-CD 3.44Å; P13-T15 PolarHBondContact O-N 2.77Å
14	S	29.7	Very low	31.2	Very low	118 Å²	118	108.6 Å²	108.6	83%	0.825	60%	0.598	S	S	*	*			trans	-74.5	60.5	176	51.6	0	0	0	0	112.5	Q12	Q12-S14 PolarHBondContact O-N 3.37Å
15	T	34.5	Very low	31.8	Very low	123 Å²	123	103.4 Å²	103.4	76%	0.755	56%	0.563	S	S	*	*	S	Bend	trans	-168.2	142.7	163.6	8.7	0	0	0	0	111.9	P13 A17	P13-T15 PolarHBondContact O-N 2.77Å; T15-A17 PolarHBondContact O-N 2.88Å
16	N	32.8	Very low	32.4	Very low	175 Å²	175	99.4 Å²	99.4	94%	0.936	55%	0.55	S	S	*	*			trans	-73.8	85.2	177.3	-76.4	-31.5	0	0	0	112
17	A	31.5	Very low	33	Very low	39 Å²	39	98.6 Å²	98.6	32%	0.322	54%	0.543	S	S	.	.			trans	-98.8	136.4	170.3	0	0	0	0	0	111.4	T15 Y19	T15-A17 PolarHBondContact O-N 2.88Å; A17-Y19 HydrophobicContact CB-CE2 4Å
18	Q	37.9	Very low	33.3	Very low	77 Å²	77	96.9 Å²	96.9	36%	0.36	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	136.4	172.5	-62.2	-171	-7.3	0	0	110.1	L83 F87	Q18-L83 HydrophobicContact CG-CD1 3.94Å; Q18-L83 HydrophobicContact CG-CD2 4.1Å; Q18-F87 VanDerWaalsContact OE1-CE2 3.26Å
19	Y	33.5	Very low	33.6	Very low	132 Å²	132	94.8 Å²	94.8	52%	0.518	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	138.6	-177.5	-58.8	-80.2	0	0	0	110.9	A17 V47	A17-Y19 HydrophobicContact CB-CE2 4Å; Y19-V47 HydrophobicContact CD1-CG1 4.36Å
20	M	36.8	Very low	33.7	Very low	19 Å²	19	92 Å²	92	9%	0.094	54%	0.539	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	141.1	172.2	-163.6	178.1	-58.6	0	0	109.5	Y48 F58 I77 V79	M20-Y48 PolarHBondContact O-N 3.29Å; M20-F58 HydrophobicContact CE-CE1 3.77Å; M20-F58 HydrophobicContact CE-CZ 3.65Å; M20-F58 HydrophobicContact SD-CE1 4.24Å; M20-F58 HydrophobicContact SD-CE2 3.99Å; M20-F58 HydrophobicContact SD-CZ 3.54Å; M20-F58 VanDerWaalsContact SD-CZ 3.54Å; M20-I77 HydrophobicContact CG-CG2 4.18Å; M20-I77 HydrophobicContact SD-CG2 3.88Å; M20-V79 HydrophobicContact CE-CG2 4.33Å; M20-V79 HydrophobicContact CG-CG2 4.39Å
21	T	36.6	Very low	33.8	Very low	51 Å²	51	95 Å²	95	31%	0.313	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	134.2	-178.1	60.4	0	0	0	0	110.8	V47 T78	T21-V47 HydrophobicContact CG2-CG2 4.47Å; T21-T78 PolarHBondContact N-O 2.7Å; T21-T78 VanDerWaalsContact N-O 3.13Å; T21-T78 PolarHBondContact O-N 3.43Å; T21-T78 PolarHBondContact OG1-O 3.38Å
22	A	39.2	Very low	33.8	Very low	8 Å²	8	96.7 Å²	96.7	7%	0.066	55%	0.55	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.6	144.8	173.3	0	0	0	0	0	110.2	V46	A22-V46 PolarHBondContact N-O 3.49Å; A22-V46 PolarHBondContact O-N 2.87Å
23	S	39.4	Very low	33.7	Very low	36 Å²	36	92.6 Å²	92.6	25%	0.252	55%	0.55	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	143.5	176.7	58.1	0	0	0	0	110.6	R76	S23-R76 PolarHBondContact N-O 3.43Å; S23-R76 PolarHBondContact O-N 3.3Å; S23-R76 PolarHBondContact OG-O 3.4Å; S23-R76 VanDerWaalsContact OG-O 3.11Å
24	V	36.4	Very low	33.2	Very low	39 Å²	39	90.5 Å²	90.5	24%	0.236	55%	0.548	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	143.4	-176.2	-175.9	0	0	0	0	108.2	I72 V75	V24-I72 HydrophobicContact CG1-CB 4.46Å; V24-I72 HydrophobicContact CG1-CD1 4.1Å; V24-I72 HydrophobicContact CG1-CG1 3.97Å; V24-I72 HydrophobicContact CG1-CG2 3.78Å; V24-V75 HydrophobicContact CG2-CG2 4.43Å
25	G	35.2	Very low	32.9	Very low	7 Å²	7	95.5 Å²	95.5	7%	0.072	56%	0.556	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-140.3	145.7	179.7	0	0	0	0	0	113.7
26	A	36.2	Very low	32.4	Very low	53 Å²	53	96.2 Å²	96.2	44%	0.438	55%	0.554	S	S	.	*			trans	-115.7	139.6	170.7	0	0	0	0	0	109.3
27	A	36.9	Very low	32	Very low	68 Å²	68	91.4 Å²	91.4	56%	0.562	54%	0.539	S	S	*	.			trans	-114.8	122.9	-179.4	0	0	0	0	0	110.4
28	C	32.4	Very low	31.8	Very low	133 Å²	133	96 Å²	96	90%	0.899	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-68.1	141.5	175.5	-70	0	0	0	0	111.2
29	T	30.5	Very low	31.2	Very low	121 Å²	121	100.1 Å²	100.1	74%	0.742	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-83.9	127	179.9	43.5	0	0	0	0	111.5	K31	T29-K31 PolarHBondContact O-N 2.67Å
30	P	30.8	Very low	30.9	Very low	112 Å²	112	100.7 Å²	100.7	73%	0.727	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-78.5	124.1	-174.6	29.5	-34.4	0	0	0	112.5	K32	P30-K32 PolarHBondContact O-N 3.12Å
31	K	28.4	Very low	30.7	Very low	209 Å²	209	104.9 Å²	104.9	91%	0.909	61%	0.61	S	S	*	*			trans	-86	102.4	162.1	-78.6	-176.9	176.8	176.2	0	109.6	T29	T29-K31 PolarHBondContact O-N 2.67Å
32	K	28.7	Very low	30.7	Very low	203 Å²	203	108.6 Å²	108.6	88%	0.883	63%	0.626	S	S	*	*	S	Bend	trans	51.3	99.2	167.5	-67.3	-173.9	175.4	-176.9	0	117.4	P30	P30-K32 PolarHBondContact O-N 3.12Å
33	A	25.5	Very low	30.5	Very low	110 Å²	110	112.2 Å²	112.2	91%	0.909	65%	0.651	S	S	*	*	S	Bend	trans	40.7	88.1	145.1	0	0	0	0	0	118.5
34	G	24.7	Very low	30.4	Very low	68 Å²	68	113.7 Å²	113.7	70%	0.701	66%	0.656	S	S	*	*	S	Bend	trans	-171.6	147.2	166.5	0	0	0	0	0	109.4	L36	G34-L36 PolarHBondContact O-N 3.07Å
35	F	22.9	Very low	30.3	Very low	223 Å²	223	116.5 Å²	116.5	98%	0.978	68%	0.675	S	S	*	*			trans	-42.4	118.6	-173.8	-77.1	-98.9	0	0	0	114
36	L	25.1	Very low	30.4	Very low	137 Å²	137	118.5 Å²	118.5	72%	0.717	69%	0.686	S	S	*	*			trans	-94.2	105.1	180	-166.1	97	0	0	0	111.1	G34 I38	G34-L36 PolarHBondContact O-N 3.07Å; L36-I38 HydrophobicContact CD2-CG1 4.32Å; L36-I38 PolarHBondContact O-N 3.47Å
37	A	23.9	Very low	30.2	Very low	74 Å²	74	120.3 Å²	120.3	61%	0.612	69%	0.691	S	S	*	*			trans	-69.7	122	162.5	0	0	0	0	0	109.5	Q39	A37-Q39 HydrophobicContact CB-CB 4.44Å; A37-Q39 PolarHBondContact O-N 2.86Å
38	I	26.7	Very low	30.1	Very low	137 Å²	137	121.4 Å²	121.4	70%	0.703	68%	0.681	S	S	*	*			trans	-81.9	69.4	178.3	-51.1	174.3	0	0	0	108.7	L36 L41	L36-I38 HydrophobicContact CD2-CG1 4.32Å; L36-I38 PolarHBondContact O-N 3.47Å; I38-L41 HydrophobicContact CG2-CD1 4.09Å; I38-L41 HydrophobicContact CG2-CG 4.36Å
39	Q	25.1	Very low	30.1	Very low	163 Å²	163	118.7 Å²	118.7	76%	0.762	66%	0.663	S	S	*	*			trans	-99.9	-6.9	-165.8	-154.3	167.2	2.6	0	0	114.4	A37	A37-Q39 HydrophobicContact CB-CB 4.44Å; A37-Q39 PolarHBondContact O-N 2.86Å
40	N	28.6	Very low	30.4	Very low	143 Å²	143	116 Å²	116	77%	0.765	64%	0.643	S	S	*	*			trans	-130	64.2	-179.1	-82.7	-48.7	0	0	0	112.4
41	L	32.2	Very low	30.2	Very low	108 Å²	108	119.6 Å²	119.6	57%	0.565	65%	0.648	S	S	*	*			trans	-90.2	96.2	159	-89.5	167.8	0	0	0	108.6	I38 S43	I38-L41 HydrophobicContact CG2-CD1 4.09Å; I38-L41 HydrophobicContact CG2-CG 4.36Å; L41-S43 PolarHBondContact O-N 3.07Å
42	I	35.5	Very low	30.5	Very low	128 Å²	128	117.1 Å²	117.1	66%	0.656	64%	0.639	S	S	*	*			trans	-73.8	77.2	167.5	-55.7	176.4	0	0	0	107.9	L44	I42-L44 HydrophobicContact CG2-CG 4.2Å; I42-L44 PolarHBondContact O-N 3.47Å; I42-L44 VanDerWaalsContact O-N 3.14Å
43	S	36.6	Very low	30.9	Very low	84 Å²	84	113.3 Å²	113.3	59%	0.587	64%	0.638	S	S	*	*			trans	-74.1	97.6	168.3	55.8	0	0	0	0	108.6	L41 P45	L41-S43 PolarHBondContact O-N 3.07Å; S43-P45 WeakPolarHBondContact O-CD 3.48Å
44	L	36.1	Very low	31.4	Very low	67 Å²	67	116 Å²	116	35%	0.351	63%	0.632	S	S	.	*			trans	-78.1	109.8	164.7	-76.6	162.8	0	0	0	108.6	I42 V46 L66	I42-L44 HydrophobicContact CG2-CG 4.2Å; I42-L44 PolarHBondContact O-N 3.47Å; I42-L44 VanDerWaalsContact O-N 3.14Å; L44-V46 PolarHBondContact O-N 2.94Å; L44-L66 HydrophobicContact CD1-CB 4.27Å; L44-L66 HydrophobicContact CD1-CD1 3.89Å; L44-L66 HydrophobicContact CD2-CD1 4.45Å
45	P	35.3	Very low	32	Very low	99 Å²	99	116 Å²	116	64%	0.643	63%	0.625	S	S	*	*			trans	-78.1	100.8	173.5	32.1	-32.6	0	0	0	109.1	S43 V47	S43-P45 WeakPolarHBondContact O-CD 3.48Å; P45-V47 PolarHBondContact O-N 3.48Å
46	V	36.3	Very low	32.7	Very low	48 Å²	48	113.5 Å²	113.5	29%	0.291	61%	0.614	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.6	109.1	171.3	-169	0	0	0	0	108.1	A22 L44 Y48	A22-V46 PolarHBondContact N-O 3.49Å; A22-V46 PolarHBondContact O-N 2.87Å; L44-V46 PolarHBondContact O-N 2.94Å; V46-Y48 HydrophobicContact CB-CE2 4.12Å; V46-Y48 HydrophobicContact CG1-CD2 4Å; V46-Y48 HydrophobicContact CG1-CE1 4.3Å; V46-Y48 HydrophobicContact CG1-CE2 3.4Å
47	V	32.8	Very low	33.3	Very low	91 Å²	91	114 Å²	114	55%	0.552	61%	0.613	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-97.8	113.4	177.8	-176.8	0	0	0	0	108.9	Y19 T21 P45	Y19-V47 HydrophobicContact CD1-CG1 4.36Å; T21-V47 HydrophobicContact CG2-CG2 4.47Å; P45-V47 PolarHBondContact O-N 3.48Å
48	Y	34.6	Very low	34	Very low	91 Å²	91	113.2 Å²	113.2	36%	0.357	60%	0.595	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.4	129.6	174	-67.4	-85.8	0	0	0	110.6	M20 V46	M20-Y48 PolarHBondContact O-N 3.29Å; V46-Y48 HydrophobicContact CB-CE2 4.12Å; V46-Y48 HydrophobicContact CG1-CD2 4Å; V46-Y48 HydrophobicContact CG1-CE1 4.3Å; V46-Y48 HydrophobicContact CG1-CE2 3.4Å
49	C	31.3	Very low	34.4	Very low	76 Å²	76	112.7 Å²	112.7	51%	0.514	59%	0.59	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94	107.1	171	-174.7	0	0	0	0	109.6	K51	C49-K51 PolarHBondContact O-N 3.06Å
50	I	36.6	Very low	34.9	Very low	64 Å²	64	106.2 Å²	106.2	33%	0.328	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.6	92.1	-177.3	-55.5	177.4	0	0	0	109.6	Q52	I50-Q52 PolarHBondContact O-N 3.4Å
51	K	27.1	Very low	35.2	Very low	188 Å²	188	104.5 Å²	104.5	82%	0.817	55%	0.551	S	S	*	*			trans	-89.5	62.3	174	-76.1	-168.5	176.2	-177.6	0	113	C49	C49-K51 PolarHBondContact O-N 3.06Å
52	Q	35.7	Very low	35.4	Very low	158 Å²	158	101.6 Å²	101.6	74%	0.738	54%	0.538	S	S	*	.			trans	-171.8	143.2	157.6	-110.3	160.9	13.3	0	0	111.6	I50 E54	I50-Q52 PolarHBondContact O-N 3.4Å; Q52-E54 VanDerWaalsContact C-N 3.34Å; Q52-E54 PolarHBondContact O-N 2.88Å
53	S	37	Very low	35.4	Very low	123 Å²	123	97.6 Å²	97.6	86%	0.86	53%	0.525	S	S	*	.	S	Bend	trans	-84.3	2.9	-175.8	47.9	0	0	0	0	115.3
54	E	36.3	Very low	35.2	Very low	166 Å²	166	96.5 Å²	96.5	78%	0.776	51%	0.512	S	S	*	.			trans	-124.7	-4.6	-168.4	-57.6	-162.6	141.5	0	0	115.3	Q52 K56	Q52-E54 VanDerWaalsContact C-N 3.34Å; Q52-E54 PolarHBondContact O-N 2.88Å; E54-K56 PolarHBondContact O-N 3.44Å; E54-K56 VanDerWaalsContact O-N 3.11Å
55	A	37.2	Very low	35.2	Very low	67 Å²	67	94.8 Å²	94.8	55%	0.554	51%	0.511	S	S	*	.			trans	-69.9	106.2	-179.3	0	0	0	0	0	111.9	Q57	A55-Q57 VanDerWaalsContact C-N 3.33Å
56	K	36.5	Very low	35.1	Very low	172 Å²	172	95.4 Å²	95.4	75%	0.748	51%	0.508	S	S	*	.			trans	-84.3	-2.4	179.5	-70	175.5	-177.5	166.6	0	114.5	E54	E54-K56 PolarHBondContact O-N 3.44Å; E54-K56 VanDerWaalsContact O-N 3.11Å
57	Q	38.7	Very low	35.2	Very low	148 Å²	148	95.8 Å²	95.8	69%	0.692	51%	0.51	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.1	149.4	-178	-68.2	177.5	-17.9	0	0	109.1	A55	A55-Q57 VanDerWaalsContact C-N 3.33Å
58	F	37.1	Very low	35.5	Very low	56 Å²	56	95.3 Å²	95.3	25%	0.246	50%	0.504	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	151.8	167.2	54.7	-100.5	0	0	0	109.8	M20 I60 V91 V93	M20-F58 HydrophobicContact CE-CE1 3.77Å; M20-F58 HydrophobicContact CE-CZ 3.65Å; M20-F58 HydrophobicContact SD-CE1 4.24Å; M20-F58 HydrophobicContact SD-CE2 3.99Å; M20-F58 HydrophobicContact SD-CZ 3.54Å; M20-F58 VanDerWaalsContact SD-CZ 3.54Å; F58-I60 HydrophobicContact CD2-CG1 4.32Å; F58-I60 HydrophobicContact CE2-CD1 4.29Å; F58-I60 HydrophobicContact CE2-CG1 4.42Å; F58-V91 HydrophobicContact CE1-CG1 3.57Å; F58-V91 HydrophobicContact CZ-CG1 4.04Å; F58-V93 HydrophobicContact CE2-CG1 4.12Å; F58-V93 HydrophobicContact CE2-CG2 3.92Å; F58-V93 HydrophobicContact CZ-CG2 3.71Å
59	E	36.2	Very low	35.8	Very low	127 Å²	127	94.4 Å²	94.4	59%	0.593	51%	0.51	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.6	132.5	-177.6	-59.6	-170.7	146.3	0	0	110.2
60	I	35.3	Very low	36.3	Very low	26 Å²	26	98.1 Å²	98.1	13%	0.133	51%	0.514	C	S	.	.			trans	-104.2	89.2	172.3	-56.4	176.6	0	0	0	107.6	F58 I77 V93	F58-I60 HydrophobicContact CD2-CG1 4.32Å; F58-I60 HydrophobicContact CE2-CD1 4.29Å; F58-I60 HydrophobicContact CE2-CG1 4.42Å; I60-I77 HydrophobicContact CD1-CD1 3.52Å; I60-I77 HydrophobicContact CD1-CG1 4.03Å; I60-V93 HydrophobicContact CD1-CG1 4.22Å
61	L	35.5	Very low	36.6	Very low	107 Å²	107	97.1 Å²	97.1	56%	0.56	52%	0.516	S	S	*	.			trans	-71.7	129.3	161.8	-69.8	168.6	0	0	0	108.1
62	P	35.9	Very low	37.3	Very low	47 Å²	47	90.4 Å²	90.4	31%	0.305	49%	0.488	S	S	.	.			trans	-61.4	148.2	168.1	28.5	-33.9	0	0	0	109.1	L64 I72	P62-L64 PolarHBondContact O-N 3.34Å; P62-I72 HydrophobicContact CB-CD1 4.02Å
63	A	35.2	Very low	37.6	Very low	45 Å²	45	92.2 Å²	92.2	37%	0.372	49%	0.488	S	S	.	.			trans	-63.3	94.8	180	0	0	0	0	0	110.8	G65 L66	A63-G65 PolarHBondContact O-N 3.35Å; A63-G65 VanDerWaalsContact O-N 3.16Å; A63-L66 HydrophobicContact CB-CD1 4.35Å; A63-L66 PolarHBondContact O-N 3.02Å
64	L	33.1	Very low	37.8	Very low	60 Å²	60	91.2 Å²	91.2	31%	0.314	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	117.1	-172.7	-77.3	162.9	0	0	0	110.3	P62 I519 F522 T599	P62-L64 PolarHBondContact O-N 3.34Å; L64-I519 HydrophobicContact CB-CG2 4.25Å; L64-F522 HydrophobicContact CD2-CB 4.43Å; L64-T599 HydrophobicContact CB-CG2 4.31Å; L64-T599 WeakPolarHBondContact O-CG2 3.24Å
65	G	34.7	Very low	38	Very low	32 Å²	32	86.1 Å²	86.1	33%	0.33	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	115.6	-28.6	179.1	0	0	0	0	0	115.3	A63	A63-G65 PolarHBondContact O-N 3.35Å; A63-G65 VanDerWaalsContact O-N 3.16Å
66	L	35.1	Very low	38.2	Very low	112 Å²	112	88.9 Å²	88.9	59%	0.586	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-26.5	-173.5	-73.2	173.7	0	0	0	115	L44 A63	L44-L66 HydrophobicContact CD1-CB 4.27Å; L44-L66 HydrophobicContact CD1-CD1 3.89Å; L44-L66 HydrophobicContact CD2-CD1 4.45Å; A63-L66 HydrophobicContact CB-CD1 4.35Å; A63-L66 PolarHBondContact O-N 3.02Å
67	V	36.8	Very low	38.4	Very low	56 Å²	56	83.7 Å²	83.7	34%	0.339	43%	0.425	S	S	.	.	S	Bend	trans	-138.6	135.7	177.2	-174.4	0	0	0	0	108.7	I72	V67-I72 HydrophobicContact CG1-CG1 3.85Å
68	D	40.2	Very low	38.5	Very low	80 Å²	80	79.7 Å²	79.7	43%	0.428	41%	0.41	S	S	.	.			trans	-62.1	123.1	172.2	-174.3	-28.6	0	0	0	109.5	Y70 A71	D68-Y70 PolarHBondContact O-N 3.39Å; D68-Y70 VanDerWaalsContact O-N 3.14Å; D68-Y70 WeakPolarHBondContact OD1-CB 3.41Å; D68-Y70 VanDerWaalsContact OD1-CD2 3.26Å; D68-Y70 WeakPolarHBondContact OD1-CD2 3.47Å; D68-Y70 PolarHBondContact OD1-N 2.77Å; D68-A71 HydrophobicContact CB-CB 4.09Å; D68-A71 WeakPolarHBondContact O-CB 3.31Å; D68-A71 PolarHBondContact O-N 2.93Å
69	P	40.5	Very low	38.8	Very low	73 Å²	73	80.4 Å²	80.4	47%	0.474	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-23.8	179.7	24.4	-34.2	0	0	0	113.4	A71	P69-A71 VanDerWaalsContact C-N 3.29Å; P69-A71 PolarHBondContact O-N 3.47Å
70	Y	42.7	Very low	39	Very low	153 Å²	153	77.1 Å²	77.1	60%	0.6	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-12.2	173.5	-59.8	-74.1	0	0	0	113.5	D68 A100	D68-Y70 PolarHBondContact O-N 3.39Å; D68-Y70 VanDerWaalsContact O-N 3.14Å; D68-Y70 WeakPolarHBondContact OD1-CB 3.41Å; D68-Y70 VanDerWaalsContact OD1-CD2 3.26Å; D68-Y70 WeakPolarHBondContact OD1-CD2 3.47Å; D68-Y70 PolarHBondContact OD1-N 2.77Å; Y70-A100 HydrophobicContact CE1-CB 4.36Å
71	A	41	Very low	39	Very low	44 Å²	44	83.4 Å²	83.4	36%	0.364	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-15.3	177.6	0	0	0	0	0	113.9	D68 P69 R73	D68-A71 HydrophobicContact CB-CB 4.09Å; D68-A71 WeakPolarHBondContact O-CB 3.31Å; D68-A71 PolarHBondContact O-N 2.93Å; P69-A71 VanDerWaalsContact C-N 3.29Å; P69-A71 PolarHBondContact O-N 3.47Å; A71-R73 PolarHBondContact O-N 2.73Å
72	I	41.9	Very low	39	Very low	46 Å²	46	87 Å²	87	24%	0.236	45%	0.453	C	S	.	.			trans	-69.2	123.6	179.4	-60.8	174.8	0	0	0	109.7	V24 P62 V67 V75	V24-I72 HydrophobicContact CG1-CB 4.46Å; V24-I72 HydrophobicContact CG1-CD1 4.1Å; V24-I72 HydrophobicContact CG1-CG1 3.97Å; V24-I72 HydrophobicContact CG1-CG2 3.78Å; P62-I72 HydrophobicContact CB-CD1 4.02Å; V67-I72 HydrophobicContact CG1-CG1 3.85Å; I72-V75 HydrophobicContact CG2-CG2 4.34Å
73	R	42.9	Very low	38.8	Very low	196 Å²	196	88.3 Å²	88.3	74%	0.74	46%	0.458	S	S	*	.			trans	-118.3	-14.3	178.6	-70.4	-166.1	175.5	-138.9	-3	115.4	A71	A71-R73 PolarHBondContact O-N 2.73Å
74	F	41.8	Very low	38.7	Very low	103 Å²	103	93.4 Å²	93.4	45%	0.452	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	155.5	173.5	56.5	-91.5	0	0	0	111.5
75	V	40.7	Very low	38.8	Very low	59 Å²	59	95 Å²	95	36%	0.358	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	130.5	174.4	-179.1	0	0	0	0	107.5	V24 I72 I77	V24-V75 HydrophobicContact CG2-CG2 4.43Å; I72-V75 HydrophobicContact CG2-CG2 4.34Å; V75-I77 HydrophobicContact CG1-CG1 4.34Å
76	R	39.7	Very low	39	Very low	124 Å²	124	99.5 Å²	99.5	47%	0.468	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	117.4	176.3	-176.6	-178.2	-174	173.4	5.1	109.2	D2 S23	D2-R76 IonicContact OD1-CZ 3.11Å; D2-R76 IonicContact OD1-NH1 2.65Å; D2-R76 PolarHBondContact OD1-NH1 3.48Å; D2-R76 IonicContact OD1-NH2 2.84Å; D2-R76 IonicContact OD2-CZ 2.73Å; D2-R76 IonicContact OD2-NH1 3.59Å; D2-R76 PolarHBondContact OD2-NH1 2.89Å; D2-R76 IonicContact OD2-NH2 3.24Å; D2-R76 PolarHBondContact OD2-NH2 2.73Å; S23-R76 PolarHBondContact N-O 3.43Å; S23-R76 PolarHBondContact O-N 3.3Å; S23-R76 PolarHBondContact OG-O 3.4Å; S23-R76 VanDerWaalsContact OG-O 3.11Å
77	I	41.7	Very low	39.2	Very low	64 Å²	64	98.7 Å²	98.7	33%	0.328	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	130.5	175.9	-56.3	170.2	0	0	0	107.7	M20 I60 V75 V93	M20-I77 HydrophobicContact CG-CG2 4.18Å; M20-I77 HydrophobicContact SD-CG2 3.88Å; I60-I77 HydrophobicContact CD1-CD1 3.52Å; I60-I77 HydrophobicContact CD1-CG1 4.03Å; V75-I77 HydrophobicContact CG1-CG1 4.34Å; I77-V93 HydrophobicContact CD1-CG1 3.9Å
78	T	40.8	Very low	39.4	Very low	64 Å²	64	101.8 Å²	101.8	39%	0.393	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	123.9	178.6	-49.7	0	0	0	0	109.6	T21	T21-T78 PolarHBondContact N-O 2.7Å; T21-T78 VanDerWaalsContact N-O 3.13Å; T21-T78 PolarHBondContact O-N 3.43Å; T21-T78 PolarHBondContact OG1-O 3.38Å
79	V	42.7	Very low	39.1	Very low	71 Å²	71	107 Å²	107	43%	0.43	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	129.4	172.4	-177.1	0	0	0	0	108.1	M20 E81	M20-V79 HydrophobicContact CE-CG2 4.33Å; M20-V79 HydrophobicContact CG-CG2 4.39Å; V79-E81 PolarHBondContact O-N 3.47Å
80	A	40.8	Very low	38.9	Very low	58 Å²	58	109.3 Å²	109.3	48%	0.479	55%	0.554	S	S	.	*			trans	-80.8	111.7	179.4	0	0	0	0	0	110.8	K82	A80-K82 VanDerWaalsContact C-N 3.28Å; A80-K82 PolarHBondContact O-N 2.43Å
81	E	34.9	Very low	38.7	Very low	157 Å²	157	105 Å²	105	73%	0.734	54%	0.543	S	S	*	.			trans	-77.7	70.9	179.6	-67.5	-164.8	138.6	0	0	112.5	V79 K124	V79-E81 PolarHBondContact O-N 3.47Å; E81-K124 IonicContact OE1-NZ 2.78Å; E81-K124 PolarHBondContact OE1-NZ 2.76Å; E81-K124 IonicContact OE2-NZ 2.91Å
82	K	35.8	Very low	38.4	Very low	182 Å²	182	108.1 Å²	108.1	79%	0.791	55%	0.549	S	S	*	.			trans	-130.2	63.6	158.9	-84.7	-170.1	175.4	175.4	0	110.4	A80	A80-K82 VanDerWaalsContact C-N 3.28Å; A80-K82 PolarHBondContact O-N 2.43Å
83	L	32.9	Very low	38.1	Very low	75 Å²	75	107.6 Å²	107.6	39%	0.393	55%	0.547	S	S	.	.			trans	-133.7	119.8	173.5	-72.7	172.3	0	0	0	110.5	Q18 V85 F87	Q18-L83 HydrophobicContact CG-CD1 3.94Å; Q18-L83 HydrophobicContact CG-CD2 4.1Å; L83-V85 PolarHBondContact O-N 3.23Å; L83-F87 HydrophobicContact CD1-CD2 4.1Å; L83-F87 HydrophobicContact CD1-CE2 4.08Å
84	T	33	Very low	37.7	Very low	153 Å²	153	99.8 Å²	99.8	94%	0.939	52%	0.52	S	S	*	.	S	Bend	trans	-83.7	17	178.4	43.4	0	0	0	0	113.6
85	V	34.3	Very low	37.3	Very low	94 Å²	94	97.3 Å²	97.3	57%	0.57	51%	0.513	S	S	*	.	S	Bend	trans	-129.1	130.8	-176.4	-171.8	0	0	0	0	108.9	L83 F87	L83-V85 PolarHBondContact O-N 3.23Å; V85-F87 PolarHBondContact O-N 2.89Å
86	P	39.8	Very low	36.9	Very low	126 Å²	126	99.3 Å²	99.3	82%	0.818	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-65.5	118.4	-174.9	25	-34.2	0	0	0	112.1
87	F	38.9	Very low	36.5	Very low	94 Å²	94	96.7 Å²	96.7	41%	0.412	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-62.4	137.3	178.8	-143.1	-98.7	0	0	0	111.5	Q18 L83 V85 K89 V91	Q18-F87 VanDerWaalsContact OE1-CE2 3.26Å; L83-F87 HydrophobicContact CD1-CD2 4.1Å; L83-F87 HydrophobicContact CD1-CE2 4.08Å; V85-F87 PolarHBondContact O-N 2.89Å; F87-K89 PolarHBondContact O-N 3.45Å; F87-V91 HydrophobicContact CE1-CG2 4.03Å
88	N	40	Very low	35.8	Very low	121 Å²	121	98.7 Å²	98.7	65%	0.647	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-69.7	126.8	-177.7	-165.4	-17.3	0	0	0	110.4	N90	N88-N90 PolarHBondContact O-N 3.27Å
89	K	33.6	Very low	35.1	Very low	189 Å²	189	101.2 Å²	101.2	82%	0.822	54%	0.541	S	S	*	.	S	Bend	trans	-71.5	-1.4	-164.6	-67.4	179.6	178.4	174.7	0	115.4	F87	F87-K89 PolarHBondContact O-N 3.45Å
90	N	37.9	Very low	34.3	Very low	122 Å²	122	100.4 Å²	100.4	65%	0.652	54%	0.542	S	S	*	.			trans	-115.9	38.8	-167.2	-67.5	-5.1	0	0	0	113.9	N88	N88-N90 PolarHBondContact O-N 3.27Å
91	V	37.4	Very low	33.8	Very low	64 Å²	64	102.7 Å²	102.7	39%	0.388	55%	0.551	S	S	.	*			trans	-81.1	125.8	171.2	173.8	0	0	0	0	110.2	F58 F87 V93	F58-V91 HydrophobicContact CE1-CG1 3.57Å; F58-V91 HydrophobicContact CZ-CG1 4.04Å; F87-V91 HydrophobicContact CE1-CG2 4.03Å; V91-V93 HydrophobicContact CG1-CG2 4.4Å
92	K	35.2	Very low	33.4	Very low	109 Å²	109	106.4 Å²	106.4	47%	0.474	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.2	140.1	167.6	-70.7	-168.1	175.9	-169.7	0	110.1	S128	K92-S128 VanDerWaalsContact CE-OG 3.3Å; K92-S128 WeakPolarHBondContact CE-OG 3.32Å
93	V	36.1	Very low	33	Very low	34 Å²	34	109.8 Å²	109.8	21%	0.206	57%	0.567	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-117	120.2	173.2	-173.7	0	0	0	0	108.3	F58 I60 I77 V91 V95	F58-V93 HydrophobicContact CE2-CG1 4.12Å; F58-V93 HydrophobicContact CE2-CG2 3.92Å; F58-V93 HydrophobicContact CZ-CG2 3.71Å; I60-V93 HydrophobicContact CD1-CG1 4.22Å; I77-V93 HydrophobicContact CD1-CG1 3.9Å; V91-V93 HydrophobicContact CG1-CG2 4.4Å; V93-V95 HydrophobicContact CG1-CG2 4.19Å
94	N	33.3	Very low	32.9	Very low	32 Å²	32	112.5 Å²	112.5	17%	0.171	58%	0.579	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.2	133.4	170.5	-73.3	-17.4	0	0	0	108.8	Y96 S130	N94-Y96 HydrophobicContact CB-CE2 4.01Å; N94-S130 PolarHBondContact OD1-OG 3.25Å
95	V	34.1	Very low	32.9	Very low	51 Å²	51	111.2 Å²	111.2	31%	0.309	57%	0.566	S	S	.	*			trans	-121.9	106.7	177.6	-178.9	0	0	0	0	108.2	V93 S97	V93-V95 HydrophobicContact CG1-CG2 4.19Å; V95-S97 PolarHBondContact O-N 3.49Å
96	Y	31.5	Very low	33	Very low	102 Å²	102	110.9 Å²	110.9	40%	0.4	57%	0.573	S	S	.	*			trans	-87.1	80.7	-179.1	-65.6	-77.8	0	0	0	111.4	N94 V98 C132	N94-Y96 HydrophobicContact CB-CE2 4.01Å; Y96-V98 PolarHBondContact O-N 3.04Å; Y96-C132 HydrophobicContact CE1-CB 4.43Å
97	S	32.1	Very low	32.9	Very low	68 Å²	68	112.1 Å²	112.1	48%	0.476	57%	0.568	S	S	.	*			trans	-74.7	107.5	166.6	57.5	0	0	0	0	110.3	V95 I99	V95-S97 PolarHBondContact O-N 3.49Å; S97-I99 PolarHBondContact O-N 2.94Å
98	V	26	Very low	33	Very low	106 Å²	106	109.8 Å²	109.8	64%	0.642	56%	0.563	S	S	*	*			trans	-77	73.3	177.7	-173.4	0	0	0	0	110.2	Y96 A100	Y96-V98 PolarHBondContact O-N 3.04Å; V98-A100 PolarHBondContact O-N 2.87Å
99	I	27.7	Very low	32.7	Very low	118 Å²	118	109.2 Å²	109.2	61%	0.605	56%	0.56	S	S	*	*			trans	-83.2	88.1	173.2	-54.8	177.2	0	0	0	108	S97 P101	S97-I99 PolarHBondContact O-N 2.94Å; I99-P101 WeakPolarHBondContact O-CD 3.5Å
100	A	26	Very low	32.9	Very low	54 Å²	54	104.7 Å²	104.7	45%	0.446	54%	0.544	S	S	.	.			trans	-77.4	114.9	165.8	0	0	0	0	0	109.3	Y70 V98 R102	Y70-A100 HydrophobicContact CE1-CB 4.36Å; V98-A100 PolarHBondContact O-N 2.87Å; A100-R102 PolarHBondContact O-N 2.89Å
101	P	28.4	Very low	32.7	Very low	105 Å²	105	106.2 Å²	106.2	68%	0.682	55%	0.545	S	S	*	.			trans	-82.2	101.4	-171.4	31.6	-34.1	0	0	0	112.2	I99 R103	I99-P101 WeakPolarHBondContact O-CD 3.5Å; P101-R103 PolarHBondContact O-N 2.92Å
102	R	26.8	Very low	32.5	Very low	235 Å²	235	106.1 Å²	106.1	89%	0.887	55%	0.551	S	S	*	*	S	Bend	trans	-64.3	127.8	147.1	-91.9	-174.2	168.1	179.7	-3.2	107.4	A100 M104	A100-R102 PolarHBondContact O-N 2.89Å; R102-M104 PolarHBondContact O-N 2.88Å; R102-M104 VanDerWaalsContact O-N 3.11Å
103	R	27.5	Very low	32.5	Very low	254 Å²	254	105.2 Å²	105.2	96%	0.958	56%	0.555	S	S	*	*			trans	-13.7	100.4	179.6	-72.5	179.4	173.9	163.9	-1.6	113.9	P101	P101-R103 PolarHBondContact O-N 2.92Å
104	M	31.4	Very low	32.3	Very low	132 Å²	132	109.7 Å²	109.7	65%	0.65	57%	0.573	S	S	*	*			trans	-105.6	129.6	165.5	-62.4	-166.7	-169.5	0	0	109.1	R102	R102-M104 PolarHBondContact O-N 2.88Å; R102-M104 VanDerWaalsContact O-N 3.11Å
105	D	33.2	Very low	32.2	Very low	125 Å²	125	113.9 Å²	113.9	67%	0.668	59%	0.594	S	S	*	*			trans	-85.3	147.5	176.2	50.7	-68.6	0	0	0	111.8	H107 S108	D105-H107 PolarHBondContact O-N 2.82Å; D105-S108 PolarHBondContact O-N 2.88Å; D105-S108 VanDerWaalsContact O-N 3.11Å; D105-S108 PolarHBondContact O-OG 3.02Å
106	A	35.2	Very low	32.1	Very low	88 Å²	88	120.9 Å²	120.9	73%	0.727	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	2.1	-162.1	0	0	0	0	0	116.9
107	H	38.1	Very low	31.9	Very low	151 Å²	151	124.5 Å²	124.5	70%	0.699	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-16.9	171	-99.6	-34.8	0	0	0	114	D105	D105-H107 PolarHBondContact O-N 2.82Å
108	S	40.9	Very low	31.7	Very low	45 Å²	45	126.9 Å²	126.9	32%	0.315	65%	0.645	S	S	.	*	H	α-helix	trans	-70.5	-37.3	180	54.5	0	0	0	0	113.8	D105 I110 K111 A112	D105-S108 PolarHBondContact O-N 2.88Å; D105-S108 VanDerWaalsContact O-N 3.11Å; D105-S108 PolarHBondContact O-OG 3.02Å; S108-I110 VanDerWaalsContact C-N 3.28Å; S108-I110 PolarHBondContact O-N 3.23Å; S108-K111 PolarHBondContact O-N 3.46Å; S108-K111 VanDerWaalsContact O-N 3.17Å; S108-A112 PolarHBondContact O-N 2.9Å; S108-A112 VanDerWaalsContact O-N 3.14Å
109	D	35.4	Very low	31.9	Very low	109 Å²	109	126.9 Å²	126.9	58%	0.583	65%	0.646	S	S	*	*	H	α-helix	trans	-60.3	-35.4	-175	-76.1	-11	0	0	0	113.4	K111 A112 T113	D109-K111 VanDerWaalsContact C-N 3.35Å; D109-K111 PolarHBondContact O-N 2.88Å; D109-A112 PolarHBondContact O-N 2.93Å; D109-T113 PolarHBondContact O-N 2.87Å; D109-T113 PolarHBondContact O-OG1 3.26Å
110	I	37.4	Very low	31.7	Very low	94 Å²	94	131.3 Å²	131.3	48%	0.482	66%	0.66	S	S	.	*	H	α-helix	trans	-63.8	-42.7	-180	-59.4	173.8	0	0	0	110.1	S108 T113 E114	S108-I110 VanDerWaalsContact C-N 3.28Å; S108-I110 PolarHBondContact O-N 3.23Å; I110-T113 PolarHBondContact O-N 2.97Å; I110-T113 PolarHBondContact O-OG1 2.91Å; I110-E114 PolarHBondContact O-N 3.33Å
111	K	33.6	Very low	32.1	Very low	154 Å²	154	135 Å²	135	67%	0.67	68%	0.677	S	S	*	*	H	α-helix	trans	-71.6	-34	176.7	-79.4	-175.7	173.4	177.2	0	112.9	S108 D109 T113 I115	S108-K111 PolarHBondContact O-N 3.46Å; S108-K111 VanDerWaalsContact O-N 3.17Å; D109-K111 VanDerWaalsContact C-N 3.35Å; D109-K111 PolarHBondContact O-N 2.88Å; K111-T113 VanDerWaalsContact C-N 3.35Å; K111-I115 WeakPolarHBondContact O-CD1 3.3Å; K111-I115 WeakPolarHBondContact O-CG1 3.43Å; K111-I115 PolarHBondContact O-N 2.94Å
112	A	33.5	Very low	32.2	Very low	62 Å²	62	135.4 Å²	135.4	51%	0.512	68%	0.683	S	S	.	*	H	α-helix	trans	-64.2	-40.6	174.5	0	0	0	0	0	111.7	S108 D109	S108-A112 PolarHBondContact O-N 2.9Å; S108-A112 VanDerWaalsContact O-N 3.14Å; D109-A112 PolarHBondContact O-N 2.93Å
113	T	34.6	Very low	32.2	Very low	91 Å²	91	133.4 Å²	133.4	56%	0.558	68%	0.684	S	S	*	*	H	α-helix	trans	-78.8	-25.6	-179.8	46.7	0	0	0	0	114.6	D109 I110 K111	D109-T113 PolarHBondContact O-N 2.87Å; D109-T113 PolarHBondContact O-OG1 3.26Å; I110-T113 PolarHBondContact O-N 2.97Å; I110-T113 PolarHBondContact O-OG1 2.91Å; K111-T113 VanDerWaalsContact C-N 3.35Å
114	E	31.1	Very low	32.2	Very low	127 Å²	127	128.9 Å²	128.9	59%	0.593	67%	0.671	S	S	*	*	H	α-helix	trans	-69.1	-41.9	171.9	-79.3	-167.9	130.7	0	0	113.1	I110 W116 K117	I110-E114 PolarHBondContact O-N 3.33Å; E114-W116 PolarHBondContact O-N 2.68Å; E114-W116 VanDerWaalsContact O-N 3.13Å; E114-K117 PolarHBondContact O-N 2.95Å; E114-K117 VanDerWaalsContact O-N 3.14Å
115	I	32.5	Very low	32	Very low	121 Å²	121	131.9 Å²	131.9	62%	0.621	68%	0.68	S	S	*	*	H	α-helix	trans	-58.7	-28.1	179.6	-69.2	167.7	0	0	0	111.7	K111 K117 T118	K111-I115 WeakPolarHBondContact O-CD1 3.3Å; K111-I115 WeakPolarHBondContact O-CG1 3.43Å; K111-I115 PolarHBondContact O-N 2.94Å; I115-K117 VanDerWaalsContact C-N 3.29Å; I115-K117 PolarHBondContact O-N 2.94Å; I115-T118 PolarHBondContact O-OG1 3.18Å
116	W	31.7	Very low	31.8	Very low	197 Å²	197	131.6 Å²	131.6	75%	0.746	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	-7.2	-178.4	-127	62.8	0	0	0	115.1	E114 I129	E114-W116 PolarHBondContact O-N 2.68Å; E114-W116 VanDerWaalsContact O-N 3.13Å; W116-I129 HydrophobicContact CH2-CD1 4.38Å; W116-I129 HydrophobicContact CZ2-CD1 4.44Å
117	K	27.8	Very low	31.5	Very low	179 Å²	179	134.8 Å²	134.8	78%	0.778	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	-7.6	-175.6	-72.9	-176.9	178.7	173.3	0	115.5	E114 I115	E114-K117 PolarHBondContact O-N 2.95Å; E114-K117 VanDerWaalsContact O-N 3.14Å; I115-K117 VanDerWaalsContact C-N 3.29Å; I115-K117 PolarHBondContact O-N 2.94Å
118	T	27.2	Very low	31	Very low	117 Å²	117	129.7 Å²	129.7	72%	0.718	66%	0.664	S	S	*	*	S	Bend	trans	-105	-10.8	-170.9	45.3	0	0	0	0	115.4	I115 K120	I115-T118 PolarHBondContact O-OG1 3.18Å; T118-K120 PolarHBondContact O-N 2.89Å
119	T	29.5	Very low	30.4	Very low	107 Å²	107	132.1 Å²	132.1	66%	0.656	67%	0.672	S	S	*	*			trans	-78.4	79.2	172.8	44.7	0	0	0	0	112.1	T121	T119-T121 PolarHBondContact O-N 3.05Å; T119-T121 VanDerWaalsContact O-N 3.08Å
120	K	25.1	Very low	30	Very low	210 Å²	210	129 Å²	129	91%	0.913	66%	0.659	S	S	*	*			trans	-70.8	91.1	163.2	-84	-172.7	172.2	-176.5	0	110.3	T118	T118-K120 PolarHBondContact O-N 2.89Å
121	T	32.7	Very low	29.5	Very low	131 Å²	131	130.8 Å²	130.8	80%	0.804	67%	0.669	S	S	*	*			trans	-84.2	150.8	161.8	49.7	0	0	0	0	110.8	T119	T119-T121 PolarHBondContact O-N 3.05Å; T119-T121 VanDerWaalsContact O-N 3.08Å
122	S	30.2	Very low	29	Very low	115 Å²	115	127 Å²	127	80%	0.804	66%	0.66	S	S	*	*			trans	-68	168.4	-174.2	45.5	0	0	0	0	114.4	K124	S122-K124 PolarHBondContact O-N 2.84Å
123	E	26.9	Very low	28.6	Very low	192 Å²	192	130.3 Å²	130.3	90%	0.897	68%	0.677	S	S	*	*	S	Bend	trans	-67	95.2	-165.5	-58.4	-178.6	138.5	0	0	114.7
124	K	29.2	Very low	28.1	Very low	160 Å²	160	129.6 Å²	129.6	70%	0.696	69%	0.687	S	S	*	*			trans	-155.4	124.7	153	-92.2	133.2	-175.9	179	0	108	E81 S122 V126	E81-K124 IonicContact OE1-NZ 2.78Å; E81-K124 PolarHBondContact OE1-NZ 2.76Å; E81-K124 IonicContact OE2-NZ 2.91Å; S122-K124 PolarHBondContact O-N 2.84Å; K124-V126 PolarHBondContact O-N 2.84Å
125	K	25.4	Very low	27.8	Very low	194 Å²	194	130.8 Å²	130.8	84%	0.843	70%	0.696	S	S	*	*			trans	-72.4	111.3	-172	-79.5	-178.2	174.7	177.6	0	113
126	V	30.9	Very low	27.3	Very low	120 Å²	120	134.6 Å²	134.6	73%	0.727	71%	0.708	S	S	*	*			trans	-77.8	122.9	155.2	179.2	0	0	0	0	108	K124	K124-V126 PolarHBondContact O-N 2.84Å
127	Q	28.2	Very low	27	Very low	155 Å²	155	133 Å²	133	72%	0.724	71%	0.711	S	S	*	*			trans	-95	-22.3	-169.1	-71.8	-167.8	-11.5	0	0	115.9
128	S	27.4	Very low	26.8	Very low	43 Å²	43	133.5 Å²	133.5	30%	0.301	72%	0.716	S	S	.	*			trans	-162.3	135.8	176	63.5	0	0	0	0	112.2	K92	K92-S128 VanDerWaalsContact CE-OG 3.3Å; K92-S128 WeakPolarHBondContact CE-OG 3.32Å
129	I	28.5	Very low	26.8	Very low	96 Å²	96	132.2 Å²	132.2	49%	0.492	72%	0.717	S	S	.	*			trans	-111.2	124.7	159.2	-60.5	174.2	0	0	0	106.4	W116	W116-I129 HydrophobicContact CH2-CD1 4.38Å; W116-I129 HydrophobicContact CZ2-CD1 4.44Å
130	S	25.6	Very low	26.5	Very low	44 Å²	44	134.7 Å²	134.7	31%	0.308	72%	0.721	S	S	.	*			trans	-107.3	119.2	179	21.2	0	0	0	0	110.9	N94	N94-S130 PolarHBondContact OD1-OG 3.25Å
131	I	28	Very low	26.6	Very low	132 Å²	132	135.1 Å²	135.1	68%	0.677	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-97.8	117.5	168.7	-56.8	173.3	0	0	0	107.1	P133	I131-P133 WeakPolarHBondContact O-CD 3.4Å
132	C	23.5	Very low	26.1	Very low	74 Å²	74	134.1 Å²	134.1	50%	0.5	72%	0.715	S	S	.	*	P	Polyproline II helix	trans	-91.5	117.8	178.3	-66.9	0	0	0	0	110.9	Y96 G134	Y96-C132 HydrophobicContact CE1-CB 4.43Å; C132-G134 PolarHBondContact O-N 2.87Å
133	P	24.8	Very low	25.9	Very low	132 Å²	132	135.9 Å²	135.9	86%	0.857	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-71.2	118.5	166.7	29.1	-31.8	0	0	0	109.4	I131	I131-P133 WeakPolarHBondContact O-CD 3.4Å
134	G	24.1	Very low	25.8	Very low	75 Å²	75	130.8 Å²	130.8	77%	0.773	71%	0.712	S	S	*	*			trans	-118.7	19.4	-159.5	0	0	0	0	0	117.4	C132	C132-G134 PolarHBondContact O-N 2.87Å
135	I	24.8	Very low	25.5	Very low	152 Å²	152	129.5 Å²	129.5	78%	0.779	72%	0.717	S	S	*	*			trans	-128.6	113.8	173.1	-58.5	179.5	0	0	0	109.4	M137	I135-M137 HydrophobicContact CG2-CG 4.14Å; I135-M137 PolarHBondContact O-N 3.07Å
136	K	22.9	Very low	25.5	Very low	202 Å²	202	127.1 Å²	127.1	88%	0.878	72%	0.719	S	S	*	*			trans	-77.1	98.8	163.7	-81.3	-173.9	175.4	-178.8	0	108.7	H138	K136-H138 PolarHBondContact O-N 3.48Å
137	M	24.6	Very low	25.3	Very low	163 Å²	163	128.4 Å²	128.4	80%	0.803	72%	0.721	S	S	*	*			trans	-72.2	122.2	166.3	-66.9	-168.4	77.8	0	0	109.5	I135 A139	I135-M137 HydrophobicContact CG2-CG 4.14Å; I135-M137 PolarHBondContact O-N 3.07Å; M137-A139 VanDerWaalsContact C-N 3.33Å; M137-A139 PolarHBondContact O-N 3.09Å
138	H	22.5	Very low	25.2	Very low	190 Å²	190	129.5 Å²	129.5	88%	0.88	73%	0.726	S	S	*	*			trans	-72.4	91.7	163.6	-92.8	-101	0	0	0	108.8	K136	K136-H138 PolarHBondContact O-N 3.48Å
139	A	27.8	Very low	25.2	Very low	89 Å²	89	132.6 Å²	132.6	74%	0.736	75%	0.748	S	S	*	*			trans	-114.5	94.6	170.5	0	0	0	0	0	108.5	M137	M137-A139 VanDerWaalsContact C-N 3.33Å; M137-A139 PolarHBondContact O-N 3.09Å
140	E	23.6	Very low	25	Very low	160 Å²	160	134.2 Å²	134.2	75%	0.748	76%	0.757	S	S	*	*			trans	-70.4	150	170.3	-68.3	-164	164.5	0	0	111.1
141	R	26.8	Very low	25	Very low	218 Å²	218	142.4 Å²	142.4	82%	0.823	78%	0.781	S	S	*	*			trans	85.2	82	167.5	-52.6	-178.5	-173.9	-156.5	-3.2	117.6
142	S	22.8	Very low	24.9	Very low	110 Å²	110	144.7 Å²	144.7	77%	0.769	79%	0.786	S	S	*	*				53.1	105.9	121.4	63.5	0	0	0	0	120
143	V	25.4	Very low	24.9	Very low	153 Å²	153	146.9 Å²	146.9	93%	0.927	80%	0.798	S	S	*	*			trans	-131.3	147.7	132.5	-178.8	0	0	0	0	107.7
144	A	25.6	Very low	25	Very low	85 Å²	85	149.6 Å²	149.6	70%	0.702	80%	0.796	S	S	*	*			trans	-86.6	166.2	-170	0	0	0	0	0	114.9
145	T	22.9	Very low	25.1	Very low	133 Å²	133	151.5 Å²	151.5	82%	0.816	80%	0.797	S	S	*	*			trans	-20.3	133.9	165.2	-32.8	0	0	0	0	117.4
146	V	24.3	Very low	25.4	Very low	144 Å²	144	148.6 Å²	148.6	87%	0.873	80%	0.796	S	S	*	*			trans	-134	119.4	151.3	-178.6	0	0	0	0	108.3
147	D	26.7	Very low	25.6	Very low	146 Å²	146	149 Å²	149	78%	0.781	80%	0.798	S	S	*	*			trans	-91.8	163.7	176.5	-160.6	0.1	0	0	0	111.2
148	Q	26.7	Very low	25.9	Very low	178 Å²	178	145.7 Å²	145.7	83%	0.832	80%	0.796	S	S	*	*			trans	-79.1	126.2	-172.8	-64.2	-172.5	0.5	0	0	113.3
149	S	28	Very low	26.1	Very low	108 Å²	108	142.9 Å²	142.9	76%	0.755	79%	0.793	S	S	*	*			trans	-161.2	115.4	145.6	-92.4	0	0	0	0	116.2
150	L	24.9	Very low	26.1	Very low	131 Å²	131	146.8 Å²	146.8	69%	0.686	79%	0.793	S	S	*	*			trans	35.1	115	142.1	-64	116.9	0	0	0	122.5
151	R	24	Very low	26.3	Very low	215 Å²	215	147 Å²	147	81%	0.811	79%	0.794	S	S	*	*				82.2	133.9	124.3	-71.7	177.5	173.6	166.1	0.2	122.1
152	K	26.2	Very low	26.3	Very low	180 Å²	180	144.6 Å²	144.6	78%	0.783	80%	0.797	S	S	*	*			trans	88.8	95.1	141.7	-79.7	178.1	175.5	-174.3	0	121.5
153	T	24.5	Very low	26.9	Very low	120 Å²	120	144.3 Å²	144.3	74%	0.736	79%	0.792	S	S	*	*				71.7	123.2	123.4	53.2	0	0	0	0	123.6
154	K	25.7	Very low	27	Very low	189 Å²	189	146.2 Å²	146.2	82%	0.822	79%	0.788	S	S	*	*			trans	83.7	95.3	137.7	-73.2	-177	174.4	-175.3	0	121.7
155	S	26.7	Very low	27.1	Very low	115 Å²	115	150 Å²	150	80%	0.804	79%	0.792	S	S	*	*				89.8	143.2	112.2	72.8	0	0	0	0	123.4
156	A	30.9	Very low	27.4	Very low	91 Å²	91	151.5 Å²	151.5	75%	0.752	79%	0.786	S	S	*	*			trans	107.2	102	144.3	0	0	0	0	0	121.2
157	K	27.4	Very low	27.5	Very low	210 Å²	210	150.4 Å²	150.4	91%	0.913	78%	0.776	S	S	*	*			trans	31.5	126.9	136.9	-61.9	178.2	174.1	-179.6	0	121.1
158	A	30.2	Very low	27.7	Very low	94 Å²	94	153.5 Å²	153.5	78%	0.777	78%	0.782	S	S	*	*				161.2	114.2	99.8	0	0	0	0	0	116.7
159	T	27.8	Very low	27.7	Very low	131 Å²	131	153.6 Å²	153.6	80%	0.804	79%	0.788	S	S	*	*			trans	8.6	126.3	141.8	-11.7	0	0	0	0	123
160	K	27.5	Very low	27.5	Very low	172 Å²	172	152.4 Å²	152.4	75%	0.748	79%	0.793	S	S	*	*				160.3	137.4	107.7	-93.3	178.9	163.2	-165.4	0	118
161	Q	28.2	Very low	27.6	Very low	164 Å²	164	150.1 Å²	150.1	77%	0.766	80%	0.8	S	S	*	*			trans	72.9	146.5	139.1	-66.9	174.5	-66.5	0	0	124.3
162	L	26.2	Very low	27.6	Very low	167 Å²	167	149.2 Å²	149.2	87%	0.874	80%	0.803	S	S	*	*			trans	-98.3	-176.4	173.2	-87.3	124.6	0	0	0	110.1
163	P	36.1	Very low	27.7	Very low	104 Å²	104	150 Å²	150	68%	0.675	81%	0.809	S	S	*	*			cis	-151.4	174.7	22.6	43.5	-21.4	0	0	0	121.5
164	K	26.1	Very low	27.6	Very low	194 Å²	194	153.4 Å²	153.4	84%	0.843	81%	0.814	S	S	*	*			trans	50.6	127.4	143.4	-72.3	173.9	178.5	-174.5	0	124.1
165	E	28.8	Very low	27.5	Very low	165 Å²	165	148.7 Å²	148.7	77%	0.771	81%	0.809	S	S	*	*				179	137.2	104.6	-94.8	-158.1	134.2	0	0	111.3
166	K	27.7	Very low	27.2	Very low	163 Å²	163	149.9 Å²	149.9	71%	0.709	81%	0.807	S	S	*	*				56.7	143.9	99.2	-68.6	-170.8	148.9	-161.9	0	117.2
167	D	27.3	Very low	26.8	Very low	122 Å²	122	152.8 Å²	152.8	65%	0.652	81%	0.808	S	S	*	*			cis	-163.7	152.1	-7.4	-95.1	-28.5	0	0	0	108.9
168	K	30.4	Very low	26.6	Very low	210 Å²	210	146 Å²	146	91%	0.913	80%	0.798	S	S	*	*			trans	161.3	160.7	137.6	-89.7	170	-176.9	179.6	0	116.4
169	L	27.3	Very low	26.2	Very low	180 Å²	180	148.3 Å²	148.3	94%	0.942	80%	0.803	S	S	*	*			trans	-99.2	159	-171.3	-88	65.1	0	0	0	114.8
170	G	24.5	Very low	26	Very low	84 Å²	84	145.5 Å²	145.5	87%	0.866	80%	0.799	S	S	*	*				127.3	123.7	128.2	0	0	0	0	0	118.1
171	G	26.8	Very low	25.9	Very low	82 Å²	82	144.8 Å²	144.8	85%	0.845	80%	0.803	S	S	*	*			trans	149	107.1	164.2	0	0	0	0	0	115.6
172	F	23.7	Very low	25.6	Very low	197 Å²	197	144.4 Å²	144.4	86%	0.864	81%	0.805	S	S	*	*			trans	-104.3	146.8	168.4	-103.3	-90.3	0	0	0	110.1
173	H	28.6	Very low	25.6	Very low	195 Å²	195	143.3 Å²	143.3	90%	0.903	80%	0.8	S	S	*	*			trans	-162.8	167.1	142.3	-104.4	-71.1	0	0	0	111
174	K	21.9	Very low	25	Very low	193 Å²	193	145.8 Å²	145.8	84%	0.839	80%	0.803	S	S	*	*			trans	-133.3	167.5	-173.2	-99.8	-175.9	175	179.4	0	111.2
175	A	23	Very low	24.9	Very low	89 Å²	89	144.1 Å²	144.1	74%	0.736	80%	0.798	S	S	*	*			trans	75.6	151.8	165.6	0	0	0	0	0	117.5
176	N	21.9	Very low	24.7	Very low	140 Å²	140	142.4 Å²	142.4	75%	0.749	80%	0.803	S	S	*	*			cis	-167.5	151.7	-25.7	-124.9	3.5	0	0	0	112
177	I	21.6	Very low	24.4	Very low	153 Å²	153	139.6 Å²	139.6	79%	0.785	80%	0.804	S	S	*	*			trans	65.6	136.4	151	-60.1	163	0	0	0	120.1
178	G	23.8	Very low	24.6	Very low	67 Å²	67	138.9 Å²	138.9	69%	0.691	81%	0.806	S	S	*	*			trans	-177.7	142.9	163.1	0	0	0	0	0	112.1
179	T	21.6	Very low	24.3	Very low	143 Å²	143	137.9 Å²	137.9	88%	0.877	80%	0.801	S	S	*	*			trans	-152.6	148.5	-165.6	51.3	0	0	0	0	116.2
180	G	24	Very low	24.1	Very low	71 Å²	71	135.8 Å²	135.8	73%	0.732	79%	0.791	S	S	*	*			trans	93.1	155.2	168.9	0	0	0	0	0	114.9
181	L	25.7	Very low	24	Very low	158 Å²	158	138.7 Å²	138.7	83%	0.827	79%	0.786	S	S	*	*			cis	-121.3	174.2	-4.1	-89	74.4	0	0	0	108.9
182	L	21.7	Very low	23.7	Very low	155 Å²	155	142.6 Å²	142.6	81%	0.812	79%	0.787	S	S	*	*			cis	88.4	119.8	20	-64.6	173.2	0	0	0	118.1
183	D	25.3	Very low	23.6	Very low	145 Å²	145	140 Å²	140	78%	0.775	79%	0.787	S	S	*	*			trans	159	120.2	151	-83.7	-2.9	0	0	0	108.1
184	E	24.1	Very low	23.3	Very low	155 Å²	155	138.2 Å²	138.2	72%	0.724	78%	0.783	S	S	*	*				82.3	131.5	59.2	-64.9	-97.4	73.5	0	0	112.3
185	H	23.6	Very low	23.3	Very low	159 Å²	159	133.6 Å²	133.6	74%	0.736	78%	0.782	S	S	*	*			cis	-145.9	163.9	1	-69.9	-60.8	0	0	0	111
186	C	23.6	Very low	23.3	Very low	130 Å²	130	135.2 Å²	135.2	88%	0.878	79%	0.785	S	S	*	*				178	155	115	-148.5	0	0	0	0	113.3
187	S	21.2	Very low	23.3	Very low	104 Å²	104	135.5 Å²	135.5	73%	0.727	79%	0.791	S	S	*	*			trans	-163	-171	179.5	75.2	0	0	0	0	110.6
188	P	32.9	Very low	23.4	Very low	107 Å²	107	133.8 Å²	133.8	70%	0.695	79%	0.793	S	S	*	*			cis	-133.4	177.4	-17.3	40.3	-25.6	0	0	0	113.9
189	K	24	Very low	23.3	Very low	188 Å²	188	134.4 Å²	134.4	82%	0.817	80%	0.799	S	S	*	*			trans	-177.6	127.2	131.7	-103.6	163.7	-175.5	174.4	0	115.9
190	N	22.6	Very low	23.5	Very low	137 Å²	137	135.5 Å²	135.5	73%	0.733	80%	0.798	S	S	*	*			trans	61.7	125.6	150.2	-62.7	17	0	0	0	122.8
191	N	22	Very low	23.5	Very low	144 Å²	144	138 Å²	138	77%	0.77	80%	0.8	S	S	*	*			trans	67.4	79.5	142.8	-59.2	8	0	0	0	120.2
192	L	21.2	Very low	23.4	Very low	164 Å²	164	138.7 Å²	138.7	86%	0.859	80%	0.804	S	S	*	*				-175.6	121	105.8	-117.5	104.9	0	0	0	109.3
193	V	22	Very low	23.4	Very low	144 Å²	144	139.5 Å²	139.5	87%	0.873	80%	0.804	S	S	*	*			trans	-99.1	96.3	177.5	-178.1	0	0	0	0	110.3
194	L	21.2	Very low	23.3	Very low	156 Å²	156	142.8 Å²	142.8	82%	0.817	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-75.5	131.8	148.1	-69.9	162.6	0	0	0	107.1	P196	L194-P196 WeakPolarHBondContact O-CD 3.39Å
195	A	21.7	Very low	23.4	Very low	97 Å²	97	145 Å²	145	80%	0.802	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-84.1	118.8	176.5	0	0	0	0	0	110.4
196	P	24.4	Very low	23.4	Very low	123 Å²	123	144.3 Å²	144.3	80%	0.799	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-96	158.2	-177.8	37.3	-33.4	0	0	0	113	L194	L194-P196 WeakPolarHBondContact O-CD 3.39Å
197	T	22.1	Very low	23.8	Very low	145 Å²	145	141.4 Å²	141.4	89%	0.89	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-88.8	127.8	178.2	51.9	0	0	0	0	113
198	S	23.6	Very low	24.3	Very low	118 Å²	118	143 Å²	143	83%	0.825	80%	0.795	S	S	*	*			trans	-160	114.7	158.8	59.3	0	0	0	0	114.8
199	G	21.6	Very low	24.1	Very low	79 Å²	79	140.3 Å²	140.3	81%	0.814	78%	0.775	S	S	*	*			trans	67.1	98.3	141.2	0	0	0	0	0	120.6
200	I	25.8	Very low	24.6	Very low	167 Å²	167	137.3 Å²	137.3	86%	0.856	77%	0.768	S	S	*	*			trans	-127.8	142.9	147.1	-66.3	-176.5	0	0	0	108.6
201	T	22.4	Very low	25.1	Very low	124 Å²	124	136.4 Å²	136.4	76%	0.761	76%	0.761	S	S	*	*			trans	-86.3	159	-177.9	43.4	0	0	0	0	113.1	Q203	T201-Q203 PolarHBondContact O-N 3.06Å; T201-Q203 VanDerWaalsContact O-N 3.1Å
202	N	23.3	Very low	25.7	Very low	172 Å²	172	133.5 Å²	133.5	92%	0.92	74%	0.741	S	S	*	*			trans	-14.6	98.7	171.2	-69	-13	0	0	0	116.8
203	Q	23.4	Very low	26.4	Very low	172 Å²	172	130.5 Å²	130.5	80%	0.804	73%	0.726	S	S	*	*			trans	-131.6	140.9	153.7	-70.4	-166.8	-14.3	0	0	109.6	T201	T201-Q203 PolarHBondContact O-N 3.06Å; T201-Q203 VanDerWaalsContact O-N 3.1Å
204	R	22.7	Very low	27.1	Very low	213 Å²	213	131.2 Å²	131.2	80%	0.804	71%	0.714	S	S	*	*			trans	-74.7	126.9	176	-71	175.5	171.5	-175.6	-6.6	108.8	H206 E248	R204-H206 PolarHBondContact O-N 3.14Å; R204-E248 IonicContact NH1-OE1 3.9Å
205	F	25.1	Very low	27.8	Very low	201 Å²	201	129.9 Å²	129.9	88%	0.882	70%	0.702	S	S	*	*			trans	-69.6	109.3	176.6	-86.2	-91.1	0	0	0	111.6	A207	F205-A207 PolarHBondContact O-N 3.16Å; F205-A207 VanDerWaalsContact O-N 3.09Å
206	H	25.6	Very low	28.6	Very low	146 Å²	146	129.3 Å²	129.3	68%	0.676	69%	0.689	S	S	*	*			trans	-79.2	67.7	161.5	-94.9	-109.2	0	0	0	110	R204 N208 D209	R204-H206 PolarHBondContact O-N 3.14Å; H206-N208 PolarHBondContact O-N 3.36Å; H206-D209 IonicContact ND1-OD2 3.56Å; H206-D209 PolarHBondContact O-N 3Å
207	A	31.2	Very low	29.2	Very low	69 Å²	69	125.8 Å²	125.8	57%	0.57	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	-8.4	-174.8	0	0	0	0	0	114.9	F205	F205-A207 PolarHBondContact O-N 3.16Å; F205-A207 VanDerWaalsContact O-N 3.09Å
208	N	31	Very low	29.7	Very low	136 Å²	136	124.2 Å²	124.2	73%	0.727	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-15.8	-175.3	-70.5	-10	0	0	0	114.6	H206	H206-N208 PolarHBondContact O-N 3.36Å
209	D	28.8	Very low	30.3	Very low	52 Å²	52	122.9 Å²	122.9	28%	0.278	66%	0.655	S	S	.	*	H	α-helix	trans	-87.1	-27	-173.9	-72.3	-69.1	0	0	0	113.1	H206 M211 F212 N213 R241	H206-D209 IonicContact ND1-OD2 3.56Å; H206-D209 PolarHBondContact O-N 3Å; D209-M211 PolarHBondContact O-N 3.37Å; D209-F212 PolarHBondContact O-N 3.35Å; D209-N213 PolarHBondContact O-N 2.79Å; D209-N213 PolarHBondContact O-ND2 3.18Å; D209-N213 VanDerWaalsContact O-ND2 3.16Å; D209-R241 IonicContact OD1-CZ 3.48Å; D209-R241 IonicContact OD1-NH2 3.38Å; D209-R241 PolarHBondContact OD1-NH2 3.4Å; D209-R241 IonicContact OD2-NH2 2.75Å
210	D	34.3	Very low	30.9	Very low	124 Å²	124	126.3 Å²	126.3	66%	0.663	65%	0.645	S	S	*	*	H	α-helix	trans	-65.4	-38.3	179.2	-75.2	-33.3	0	0	0	113.2	F212 N213 Y214	D210-F212 VanDerWaalsContact C-N 3.3Å; D210-F212 PolarHBondContact O-N 3.38Å; D210-N213 PolarHBondContact O-N 3.47Å; D210-Y214 PolarHBondContact O-N 3.42Å
211	M	33.1	Very low	31.2	Very low	119 Å²	119	127 Å²	127	59%	0.586	64%	0.641	S	S	*	*	H	α-helix	trans	-63.3	-36.5	178.7	-172.8	173.2	70.4	0	0	111.8	D209 Y214 F215	D209-M211 PolarHBondContact O-N 3.37Å; M211-Y214 PolarHBondContact O-N 3.1Å; M211-F215 HydrophobicContact CG-CD2 4.33Å; M211-F215 HydrophobicContact CG-CE2 4.05Å; M211-F215 VanDerWaalsContact O-CD2 3.27Å; M211-F215 WeakPolarHBondContact O-CD2 3.46Å
212	F	34.5	Very low	31.5	Very low	83 Å²	83	127.8 Å²	127.8	36%	0.364	64%	0.641	S	S	.	*	H	α-helix	trans	-71.8	-42	-179.4	-150.9	-88.4	0	0	0	111.4	D209 D210 Y214 F215 T216	D209-F212 PolarHBondContact O-N 3.35Å; D210-F212 VanDerWaalsContact C-N 3.3Å; D210-F212 PolarHBondContact O-N 3.38Å; F212-Y214 PolarHBondContact O-N 2.92Å; F212-F215 PolarHBondContact O-N 3.39Å; F212-F215 VanDerWaalsContact O-N 3.16Å; F212-T216 HydrophobicContact CD1-CG2 3.74Å; F212-T216 HydrophobicContact CE1-CG2 3.61Å; F212-T216 PolarHBondContact O-N 2.77Å; F212-T216 PolarHBondContact O-OG1 2.97Å
213	N	37.1	Very low	31.8	Very low	101 Å²	101	125.2 Å²	125.2	54%	0.54	63%	0.627	S	S	.	*	H	α-helix	trans	-60.3	-31.6	176.6	-74	-43.9	0	0	0	112.9	D209 D210 S217	D209-N213 PolarHBondContact O-N 2.79Å; D209-N213 PolarHBondContact O-ND2 3.18Å; D209-N213 VanDerWaalsContact O-ND2 3.16Å; D210-N213 PolarHBondContact O-N 3.47Å; N213-S217 PolarHBondContact O-N 2.89Å
214	Y	37.2	Very low	32.4	Very low	158 Å²	158	120 Å²	120	62%	0.62	61%	0.613	S	S	*	*	H	α-helix	trans	-64.3	-47	174.2	-168.4	-97.8	0	0	0	112	D210 M211 F212 S217	D210-Y214 PolarHBondContact O-N 3.42Å; M211-Y214 PolarHBondContact O-N 3.1Å; F212-Y214 PolarHBondContact O-N 2.92Å; Y214-S217 VanDerWaalsContact O-CB 3.25Å; Y214-S217 WeakPolarHBondContact O-CB 3.47Å; Y214-S217 PolarHBondContact O-N 3.41Å
215	F	34.7	Very low	33.1	Very low	128 Å²	128	115.3 Å²	115.3	56%	0.561	60%	0.596	S	S	*	*	H	α-helix	trans	-75.5	-24.9	179.5	-71.5	-66.9	0	0	0	114.1	M211 F212 S217	M211-F215 HydrophobicContact CG-CD2 4.33Å; M211-F215 HydrophobicContact CG-CE2 4.05Å; M211-F215 VanDerWaalsContact O-CD2 3.27Å; M211-F215 WeakPolarHBondContact O-CD2 3.46Å; F212-F215 PolarHBondContact O-N 3.39Å; F212-F215 VanDerWaalsContact O-N 3.16Å; F215-S217 VanDerWaalsContact C-N 3.33Å
216	T	38.1	Very low	34.2	Very low	86 Å²	86	110.7 Å²	110.7	53%	0.528	58%	0.58	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90	8.4	173.2	60	0	0	0	0	114.1	F212	F212-T216 HydrophobicContact CD1-CG2 3.74Å; F212-T216 HydrophobicContact CE1-CG2 3.61Å; F212-T216 PolarHBondContact O-N 2.77Å; F212-T216 PolarHBondContact O-OG1 2.97Å
217	S	36.9	Very low	35.3	Very low	48 Å²	48	107.1 Å²	107.1	34%	0.336	58%	0.576	S	S	.	*	S	Bend	trans	-61.2	141.4	177.5	177.4	0	0	0	0	112.1	N213 Y214 F215 A219 Y220	N213-S217 PolarHBondContact O-N 2.89Å; Y214-S217 VanDerWaalsContact O-CB 3.25Å; Y214-S217 WeakPolarHBondContact O-CB 3.47Å; Y214-S217 PolarHBondContact O-N 3.41Å; F215-S217 VanDerWaalsContact C-N 3.33Å; S217-A219 PolarHBondContact O-N 2.89Å; S217-A219 PolarHBondContact OG-N 3.27Å; S217-Y220 PolarHBondContact O-N 3.49Å
218	P	34.5	Very low	36.3	Very low	113 Å²	113	112.7 Å²	112.7	73%	0.734	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-55.3	-15.8	173.8	-26.6	35.4	0	0	0	115.2	Y220	P218-Y220 VanDerWaalsContact C-N 3.29Å; P218-Y220 PolarHBondContact O-N 2.87Å
219	A	35.1	Very low	37	Very low	89 Å²	89	108.3 Å²	108.3	74%	0.736	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-67.4	-22.9	175.2	0	0	0	0	0	114.2	S217	S217-A219 PolarHBondContact O-N 2.89Å; S217-A219 PolarHBondContact OG-N 3.27Å
220	Y	33.5	Very low	37.9	Very low	152 Å²	152	109 Å²	109	60%	0.596	56%	0.563	S	S	*	*	G	3₁₀ helix	trans	-99.2	21.2	-176	-97.2	-77.6	0	0	0	114.2	S217 P218 N222	S217-Y220 PolarHBondContact O-N 3.49Å; P218-Y220 VanDerWaalsContact C-N 3.29Å; P218-Y220 PolarHBondContact O-N 2.87Å; Y220-N222 VanDerWaalsContact C-N 3.29Å; Y220-N222 PolarHBondContact O-N 2.9Å
221	K	32	Very low	39	Very low	181 Å²	181	109 Å²	109	79%	0.787	56%	0.559	S	S	*	*			trans	-81.1	7.4	-166.3	-138.8	179.9	-175.2	-177.3	0	116.7
222	N	29.5	Very low	39.9	Very low	140 Å²	140	107.4 Å²	107.4	75%	0.749	55%	0.553	S	S	*	*	S	Bend	trans	-118.7	124.6	178.7	-66.9	-14	0	0	0	110.3	Y220	Y220-N222 VanDerWaalsContact C-N 3.29Å; Y220-N222 PolarHBondContact O-N 2.9Å
223	D	29.8	Very low	40.4	Very low	119 Å²	119	106.9 Å²	106.9	64%	0.636	55%	0.554	S	S	*	*	S	Bend	trans	53.7	102.8	170.9	-53.2	-22	0	0	0	118.5	R341	D223-R341 IonicContact OD2-CZ 3.59Å; D223-R341 IonicContact OD2-NE 3.6Å; D223-R341 IonicContact OD2-NH2 3.79Å; D223-R341 PolarHBondContact OD2-NH2 3.45Å
224	A	36	Very low	41	Very low	61 Å²	61	107 Å²	107	50%	0.504	55%	0.549	S	S	.	.			trans	-178.2	-27.9	140.3	0	0	0	0	0	116.9
225	W	36.3	Very low	42	Very low	115 Å²	115	103.4 Å²	103.4	44%	0.436	54%	0.538	S	S	.	.			trans	-124	134.6	-162.1	-62.9	85.8	0	0	0	114.8	T229 I230 L233 H347 L350	W225-T229 HydrophobicContact CE3-CG2 3.83Å; W225-T229 HydrophobicContact CZ3-CG2 3.79Å; W225-I230 HydrophobicContact CB-CD1 3.93Å; W225-I230 HydrophobicContact CB-CG1 4.13Å; W225-L233 HydrophobicContact CZ3-CD1 4.27Å; W225-H347 AromaticContact CZ3-CD2 3.93Å; W225-H347 AromaticContact CZ3-NE2 3.86Å; W225-L350 HydrophobicContact CH2-CD2 3.97Å
226	D	48.7	Very low	42.7	Very low	104 Å²	104	99.8 Å²	99.8	56%	0.556	53%	0.532	S	S	*	.			trans	-72.7	140.8	165.9	-172.6	-30.5	0	0	0	110	R228 T229 I230	D226-R228 PolarHBondContact O-N 3.45Å; D226-R228 PolarHBondContact OD1-N 3.49Å; D226-T229 PolarHBondContact O-N 3.38Å; D226-I230 PolarHBondContact O-N 2.98Å
227	A	49.9	Very low	43.1	Very low	72 Å²	72	98.4 Å²	98.4	60%	0.595	52%	0.52	S	S	*	.	H	α-helix	trans	-53	-38.1	173.1	0	0	0	0	0	112.5	T229 I230 E231	A227-T229 PolarHBondContact O-N 2.8Å; A227-I230 WeakPolarHBondContact O-CB 3.31Å; A227-I230 PolarHBondContact O-N 3.35Å; A227-E231 WeakPolarHBondContact O-CB 3.41Å; A227-E231 PolarHBondContact O-N 2.92Å
228	R	50.8	Low	44.2	Very low	185 Å²	185	102.4 Å²	102.4	70%	0.698	53%	0.527	S	S	*	.	H	α-helix	trans	-65.1	-36.7	-179.7	-168.1	174.3	-176.5	-178.2	-0.4	112.6	D226 E231 L232	D226-R228 PolarHBondContact O-N 3.45Å; D226-R228 PolarHBondContact OD1-N 3.49Å; R228-E231 PolarHBondContact O-N 2.86Å; R228-L232 WeakPolarHBondContact O-CG 3.4Å; R228-L232 PolarHBondContact O-N 3.2Å
229	T	45.9	Very low	45.3	Very low	44 Å²	44	100.5 Å²	100.5	27%	0.27	51%	0.511	S	S	.	.	H	α-helix	trans	-68.8	-40.1	175.5	-49.9	0	0	0	0	111.1	W225 D226 A227 E231 L232 L233	W225-T229 HydrophobicContact CE3-CG2 3.83Å; W225-T229 HydrophobicContact CZ3-CG2 3.79Å; D226-T229 PolarHBondContact O-N 3.38Å; A227-T229 PolarHBondContact O-N 2.8Å; T229-E231 VanDerWaalsContact C-N 3.28Å; T229-E231 PolarHBondContact O-N 2.9Å; T229-L232 PolarHBondContact O-N 2.79Å; T229-L233 WeakPolarHBondContact O-CG 3.35Å; T229-L233 PolarHBondContact O-N 2.89Å; T229-L233 VanDerWaalsContact O-N 3.08Å
230	I	48.8	Very low	45.9	Very low	66 Å²	66	101.3 Å²	101.3	34%	0.338	50%	0.502	S	S	.	.	H	α-helix	trans	-63.6	-36.4	174.1	-63.9	169.4	0	0	0	110.9	W225 D226 A227 K234	W225-I230 HydrophobicContact CB-CD1 3.93Å; W225-I230 HydrophobicContact CB-CG1 4.13Å; D226-I230 PolarHBondContact O-N 2.98Å; A227-I230 WeakPolarHBondContact O-CB 3.31Å; A227-I230 PolarHBondContact O-N 3.35Å; I230-K234 HydrophobicContact CG2-CD 4.29Å; I230-K234 VanDerWaalsContact O-CG 3.29Å; I230-K234 WeakPolarHBondContact O-CG 3.49Å; I230-K234 PolarHBondContact O-N 3.27Å; I230-K234 VanDerWaalsContact O-N 3.12Å
231	E	57.2	Low	46.4	Very low	124 Å²	124	100.1 Å²	100.1	58%	0.579	50%	0.497	S	S	*	.	H	α-helix	trans	-71.6	-42	179.8	-160.1	148.8	-115.6	0	0	112.4	A227 R228 T229 L233 K234 E235	A227-E231 WeakPolarHBondContact O-CB 3.41Å; A227-E231 PolarHBondContact O-N 2.92Å; R228-E231 PolarHBondContact O-N 2.86Å; T229-E231 VanDerWaalsContact C-N 3.28Å; T229-E231 PolarHBondContact O-N 2.9Å; E231-L233 PolarHBondContact O-N 3.01Å; E231-K234 WeakPolarHBondContact O-CB 3.44Å; E231-K234 PolarHBondContact O-N 2.81Å; E231-E235 PolarHBondContact O-N 2.78Å
232	L	51.4	Low	47.8	Very low	86 Å²	86	94.4 Å²	94.4	45%	0.45	48%	0.484	S	S	.	.	H	α-helix	trans	-63.4	-38.3	172.7	-72.4	168.7	0	0	0	112.8	R228 T229 E235 A236	R228-L232 WeakPolarHBondContact O-CG 3.4Å; R228-L232 PolarHBondContact O-N 3.2Å; T229-L232 PolarHBondContact O-N 2.79Å; L232-E235 WeakPolarHBondContact O-CB 3.3Å; L232-E235 PolarHBondContact O-N 2.97Å; L232-A236 PolarHBondContact O-N 3.12Å
233	L	45.2	Very low	48.9	Very low	72 Å²	72	88.9 Å²	88.9	38%	0.377	46%	0.456	S	S	.	.	H	α-helix	trans	-64.3	-39.4	173.3	-75.4	167	0	0	0	111.8	W225 T229 E231 E235 Q237	W225-L233 HydrophobicContact CZ3-CD1 4.27Å; T229-L233 WeakPolarHBondContact O-CG 3.35Å; T229-L233 PolarHBondContact O-N 2.89Å; T229-L233 VanDerWaalsContact O-N 3.08Å; E231-L233 PolarHBondContact O-N 3.01Å; L233-E235 VanDerWaalsContact C-N 3.32Å; L233-E235 PolarHBondContact O-N 3.19Å; L233-Q237 WeakPolarHBondContact O-CB 3.24Å; L233-Q237 PolarHBondContact O-N 2.84Å
234	K	49.6	Very low	49.8	Very low	104 Å²	104	88.2 Å²	88.2	45%	0.452	45%	0.449	S	S	.	.	H	α-helix	trans	-66.9	-30.8	172.9	-71.1	165.6	-178.7	171.6	0	112.8	I230 E231 R238	I230-K234 HydrophobicContact CG2-CD 4.29Å; I230-K234 VanDerWaalsContact O-CG 3.29Å; I230-K234 WeakPolarHBondContact O-CG 3.49Å; I230-K234 PolarHBondContact O-N 3.27Å; I230-K234 VanDerWaalsContact O-N 3.12Å; E231-K234 WeakPolarHBondContact O-CB 3.44Å; E231-K234 PolarHBondContact O-N 2.81Å; K234-R238 WeakPolarHBondContact O-CB 3.25Å; K234-R238 WeakPolarHBondContact O-CG 3.45Å; K234-R238 PolarHBondContact O-N 3.48Å; K234-R238 VanDerWaalsContact O-N 3.12Å; K234-R238 PolarHBondContact O-NE 3.09Å
235	E	59.1	Low	50.6	Low	82 Å²	82	87.4 Å²	87.4	38%	0.383	44%	0.442	S	S	.	.	H	α-helix	trans	-65.8	-54.9	173	-161.6	102.6	-98.7	0	0	110.5	E231 L232 L233 Q237 R238 D239	E231-E235 PolarHBondContact O-N 2.78Å; L232-E235 WeakPolarHBondContact O-CB 3.3Å; L232-E235 PolarHBondContact O-N 2.97Å; L233-E235 VanDerWaalsContact C-N 3.32Å; L233-E235 PolarHBondContact O-N 3.19Å; E235-Q237 VanDerWaalsContact C-N 3.28Å; E235-Q237 PolarHBondContact O-N 3.32Å; E235-R238 VanDerWaalsContact CD-NH2 3.35Å; E235-R238 WeakPolarHBondContact O-CA 3.37Å; E235-R238 WeakPolarHBondContact O-CB 3.22Å; E235-R238 PolarHBondContact O-N 3.47Å; E235-R238 IonicContact OE1-CZ 2.78Å; E235-R238 IonicContact OE1-NH1 3.84Å; E235-R238 PolarHBondContact OE1-NH1 3.06Å; E235-R238 IonicContact OE1-NH2 2.89Å; E235-R238 PolarHBondContact OE1-NH2 3.46Å; E235-D239 PolarHBondContact O-N 2.9Å
236	A	48.6	Very low	51.5	Low	53 Å²	53	85.4 Å²	85.4	44%	0.438	44%	0.437	S	S	.	.	H	α-helix	trans	-59	-38.1	178.2	0	0	0	0	0	112.6	L232 R238 D239 L240	L232-A236 PolarHBondContact O-N 3.12Å; A236-R238 VanDerWaalsContact C-N 3.35Å; A236-D239 PolarHBondContact O-N 2.87Å; A236-L240 WeakPolarHBondContact O-CB 3.42Å; A236-L240 PolarHBondContact O-N 3.03Å
237	Q	46.9	Very low	51.6	Low	57 Å²	57	84.7 Å²	84.7	27%	0.266	43%	0.427	S	S	.	.	H	α-helix	trans	-69.7	-29.1	175.9	-163.9	-178.8	19.3	0	0	112.9	L233 E235 R241	L233-Q237 WeakPolarHBondContact O-CB 3.24Å; L233-Q237 PolarHBondContact O-N 2.84Å; E235-Q237 VanDerWaalsContact C-N 3.28Å; E235-Q237 PolarHBondContact O-N 3.32Å; Q237-R241 WeakPolarHBondContact O-CB 3.45Å; Q237-R241 VanDerWaalsContact O-CG 3.27Å; Q237-R241 WeakPolarHBondContact O-CG 3.4Å; Q237-R241 PolarHBondContact O-N 2.95Å; Q237-R241 VanDerWaalsContact O-N 3.15Å
238	R	59.8	Low	51.6	Low	131 Å²	131	86.7 Å²	86.7	49%	0.494	42%	0.424	S	S	.	.	H	α-helix	trans	-71.2	-48	170.7	-81.8	-178.2	-75	111.4	-9.4	111.3	K234 E235 A236 L240 R241 A242	K234-R238 WeakPolarHBondContact O-CB 3.25Å; K234-R238 WeakPolarHBondContact O-CG 3.45Å; K234-R238 PolarHBondContact O-N 3.48Å; K234-R238 VanDerWaalsContact O-N 3.12Å; K234-R238 PolarHBondContact O-NE 3.09Å; E235-R238 VanDerWaalsContact CD-NH2 3.35Å; E235-R238 WeakPolarHBondContact O-CA 3.37Å; E235-R238 WeakPolarHBondContact O-CB 3.22Å; E235-R238 PolarHBondContact O-N 3.47Å; E235-R238 IonicContact OE1-CZ 2.78Å; E235-R238 IonicContact OE1-NH1 3.84Å; E235-R238 PolarHBondContact OE1-NH1 3.06Å; E235-R238 IonicContact OE1-NH2 2.89Å; E235-R238 PolarHBondContact OE1-NH2 3.46Å; A236-R238 VanDerWaalsContact C-N 3.35Å; R238-L240 VanDerWaalsContact C-N 3.32Å; R238-L240 PolarHBondContact O-N 3.25Å; R238-R241 PolarHBondContact O-N 3.27Å; R238-A242 WeakPolarHBondContact O-CB 3.46Å; R238-A242 PolarHBondContact O-N 2.91Å
239	D	56.6	Low	52.1	Low	74 Å²	74	82.6 Å²	82.6	40%	0.396	41%	0.411	S	S	.	.	H	α-helix	trans	-56.2	-46.8	176.8	-73.7	0.1	0	0	0	110.7	E235 A236 A242 S243 K278	E235-D239 PolarHBondContact O-N 2.9Å; A236-D239 PolarHBondContact O-N 2.87Å; D239-A242 PolarHBondContact O-N 3.03Å; D239-S243 PolarHBondContact O-N 3.31Å; D239-K278 IonicContact OD2-NZ 3.18Å; D239-K278 PolarHBondContact OD2-NZ 3.45Å
240	L	47.5	Very low	52.2	Low	105 Å²	105	85.8 Å²	85.8	55%	0.55	42%	0.421	S	S	.	.	H	α-helix	trans	-65.2	-42	179	-166.1	73.8	0	0	0	112.7	A236 R238 S243 H244	A236-L240 WeakPolarHBondContact O-CB 3.42Å; A236-L240 PolarHBondContact O-N 3.03Å; R238-L240 VanDerWaalsContact C-N 3.32Å; R238-L240 PolarHBondContact O-N 3.25Å; L240-S243 PolarHBondContact O-N 2.93Å; L240-H244 WeakPolarHBondContact O-CB 3.25Å; L240-H244 PolarHBondContact O-N 3.34Å
241	R	46	Very low	52.2	Low	128 Å²	128	86.1 Å²	86.1	48%	0.483	43%	0.426	S	S	.	.	H	α-helix	trans	-65.9	-36.8	175.6	-79.1	177	168.3	-176.9	-6.1	112	D209 Q237 R238 H244 A245	D209-R241 IonicContact OD1-CZ 3.48Å; D209-R241 IonicContact OD1-NH2 3.38Å; D209-R241 PolarHBondContact OD1-NH2 3.4Å; D209-R241 IonicContact OD2-NH2 2.75Å; Q237-R241 WeakPolarHBondContact O-CB 3.45Å; Q237-R241 VanDerWaalsContact O-CG 3.27Å; Q237-R241 WeakPolarHBondContact O-CG 3.4Å; Q237-R241 PolarHBondContact O-N 2.95Å; Q237-R241 VanDerWaalsContact O-N 3.15Å; R238-R241 PolarHBondContact O-N 3.27Å; R241-H244 PolarHBondContact O-N 2.89Å; R241-A245 WeakPolarHBondContact O-CB 3.41Å; R241-A245 PolarHBondContact O-N 3.03Å
242	A	59.8	Low	51.7	Low	61 Å²	61	83.7 Å²	83.7	50%	0.504	43%	0.427	S	S	.	.	H	α-helix	trans	-65.5	-48.2	174.9	0	0	0	0	0	111.7	R238 D239 H244 A245 E246	R238-A242 WeakPolarHBondContact O-CB 3.46Å; R238-A242 PolarHBondContact O-N 2.91Å; D239-A242 PolarHBondContact O-N 3.03Å; A242-H244 VanDerWaalsContact C-N 3.33Å; A242-H244 PolarHBondContact O-N 3.13Å; A242-A245 PolarHBondContact O-N 3.45Å; A242-E246 PolarHBondContact O-N 3.13Å
243	S	53.7	Low	51.5	Low	23 Å²	23	88 Å²	88	16%	0.161	44%	0.438	C	S	.	.	H	α-helix	trans	-56.7	-45.6	174.1	179.7	0	0	0	0	111.3	D239 L240 A245 E246 R247	D239-S243 PolarHBondContact O-N 3.31Å; L240-S243 PolarHBondContact O-N 2.93Å; S243-A245 PolarHBondContact O-N 2.83Å; S243-E246 PolarHBondContact O-N 3.33Å; S243-E246 VanDerWaalsContact O-N 3.13Å; S243-R247 WeakPolarHBondContact O-CG 3.46Å; S243-R247 PolarHBondContact O-N 2.93Å
244	H	47.8	Very low	51.3	Low	106 Å²	106	87.3 Å²	87.3	49%	0.491	44%	0.439	S	S	.	.	H	α-helix	trans	-66.5	-36	-179.7	-153.5	-65.2	0	0	0	113.7	L240 R241 A242 E246 R247 E248	L240-H244 WeakPolarHBondContact O-CB 3.25Å; L240-H244 PolarHBondContact O-N 3.34Å; R241-H244 PolarHBondContact O-N 2.89Å; A242-H244 VanDerWaalsContact C-N 3.33Å; A242-H244 PolarHBondContact O-N 3.13Å; H244-E246 VanDerWaalsContact C-N 3.31Å; H244-R247 PolarHBondContact O-N 3.39Å; H244-E248 PolarHBondContact O-N 3.05Å
245	A	52.9	Low	51	Low	43 Å²	43	89.6 Å²	89.6	36%	0.355	46%	0.455	S	S	.	.	H	α-helix	trans	-68	-30.6	173.2	0	0	0	0	0	112.4	R241 A242 S243 K249	R241-A245 WeakPolarHBondContact O-CB 3.41Å; R241-A245 PolarHBondContact O-N 3.03Å; A242-A245 PolarHBondContact O-N 3.45Å; S243-A245 PolarHBondContact O-N 2.83Å; A245-K249 WeakPolarHBondContact O-CG 3.43Å; A245-K249 PolarHBondContact O-N 2.71Å
246	E	56.3	Low	49.9	Very low	73 Å²	73	89.1 Å²	89.1	34%	0.341	47%	0.472	S	S	.	.	H	α-helix	trans	-79.5	-31.2	175.8	-150.9	59.1	-151.4	0	0	112.2	A242 S243 H244 K249 K250	A242-E246 PolarHBondContact O-N 3.13Å; S243-E246 PolarHBondContact O-N 3.33Å; S243-E246 VanDerWaalsContact O-N 3.13Å; H244-E246 VanDerWaalsContact C-N 3.31Å; E246-K249 PolarHBondContact O-N 2.77Å; E246-K249 WeakPolarHBondContact OE2-CD 3.36Å; E246-K249 IonicContact OE2-NZ 2.72Å; E246-K249 PolarHBondContact OE2-NZ 2.93Å; E246-K250 PolarHBondContact O-N 3.17Å
247	R	50.6	Low	49	Very low	90 Å²	90	90.6 Å²	90.6	34%	0.34	48%	0.48	S	S	.	.	H	α-helix	trans	-56.6	-52.7	167.8	-71.8	175.4	-172.2	-174	-2.5	111.1	S243 H244 K249 K250 V251	S243-R247 WeakPolarHBondContact O-CG 3.46Å; S243-R247 PolarHBondContact O-N 2.93Å; H244-R247 PolarHBondContact O-N 3.39Å; R247-K249 VanDerWaalsContact C-N 3.33Å; R247-K249 PolarHBondContact O-N 2.69Å; R247-K250 PolarHBondContact O-N 2.91Å; R247-V251 WeakPolarHBondContact O-CG2 3.47Å; R247-V251 PolarHBondContact O-N 2.87Å
248	E	48.8	Very low	48.3	Very low	113 Å²	113	92.2 Å²	92.2	53%	0.528	51%	0.511	S	S	.	.	H	α-helix	trans	-58.9	-42.8	178.6	-74	-162	132.6	0	0	112	R204 H244 A252	R204-E248 IonicContact NH1-OE1 3.9Å; H244-E248 PolarHBondContact O-N 3.05Å; E248-A252 VanDerWaalsContact O-CB 3.23Å; E248-A252 WeakPolarHBondContact O-CB 3.33Å; E248-A252 PolarHBondContact O-N 3.24Å
249	K	61.3	Low	46.9	Very low	99 Å²	99	94.8 Å²	94.8	43%	0.43	53%	0.529	S	S	.	.	H	α-helix	trans	-64.8	-37.7	176.8	-70.2	175.7	-148.2	156	0	113.5	A245 E246 R247 R253	A245-K249 WeakPolarHBondContact O-CG 3.43Å; A245-K249 PolarHBondContact O-N 2.71Å; E246-K249 PolarHBondContact O-N 2.77Å; E246-K249 WeakPolarHBondContact OE2-CD 3.36Å; E246-K249 IonicContact OE2-NZ 2.72Å; E246-K249 PolarHBondContact OE2-NZ 2.93Å; R247-K249 VanDerWaalsContact C-N 3.33Å; R247-K249 PolarHBondContact O-N 2.69Å; K249-R253 VanDerWaalsContact O-CG 3.3Å; K249-R253 WeakPolarHBondContact O-CG 3.44Å; K249-R253 PolarHBondContact O-N 3.23Å
250	K	48.8	Very low	45.8	Very low	111 Å²	111	97.4 Å²	97.4	48%	0.483	54%	0.543	S	S	.	.	H	α-helix	trans	-70.9	-46.8	177.7	-81	-178.8	175.8	176.2	0	111.3	E246 R247 A252 R253 S254	E246-K250 PolarHBondContact O-N 3.17Å; R247-K250 PolarHBondContact O-N 2.91Å; K250-A252 VanDerWaalsContact C-N 3.32Å; K250-A252 PolarHBondContact O-N 3.24Å; K250-R253 PolarHBondContact O-N 2.8Å; K250-S254 PolarHBondContact O-N 3Å; K250-S254 PolarHBondContact O-OG 3.21Å
251	V	47.5	Very low	45.2	Very low	73 Å²	73	94.4 Å²	94.4	44%	0.442	54%	0.537	S	S	.	.	H	α-helix	trans	-61.3	-39.9	177.2	174.4	0	0	0	0	111.6	R247 R253 S254 L255	R247-V251 WeakPolarHBondContact O-CG2 3.47Å; R247-V251 PolarHBondContact O-N 2.87Å; V251-R253 PolarHBondContact O-N 2.89Å; V251-S254 PolarHBondContact O-N 2.73Å; V251-S254 PolarHBondContact O-OG 2.86Å; V251-L255 HydrophobicContact CG1-CD1 4.37Å; V251-L255 PolarHBondContact O-N 3.46Å
252	A	47	Very low	44.7	Very low	74 Å²	74	96.3 Å²	96.3	61%	0.612	55%	0.549	S	S	*	.	H	α-helix	trans	-65.6	-19.5	175	0	0	0	0	0	114.1	E248 K250	E248-A252 VanDerWaalsContact O-CB 3.23Å; E248-A252 WeakPolarHBondContact O-CB 3.33Å; E248-A252 PolarHBondContact O-N 3.24Å; K250-A252 VanDerWaalsContact C-N 3.32Å; K250-A252 PolarHBondContact O-N 3.24Å
253	R	46.9	Very low	43.5	Very low	176 Å²	176	99 Å²	99	66%	0.664	56%	0.563	S	S	*	*	H	α-helix	trans	-90.6	-41.7	175.4	-72.1	171	-176	173.2	3.9	112.3	K249 K250 V251 L255 G256	K249-R253 VanDerWaalsContact O-CG 3.3Å; K249-R253 WeakPolarHBondContact O-CG 3.44Å; K249-R253 PolarHBondContact O-N 3.23Å; K250-R253 PolarHBondContact O-N 2.8Å; V251-R253 PolarHBondContact O-N 2.89Å; R253-L255 VanDerWaalsContact C-N 3.27Å; R253-L255 PolarHBondContact O-N 3.14Å; R253-G256 PolarHBondContact O-N 3.15Å; R253-G256 VanDerWaalsContact O-N 3.09Å
254	S	41.7	Very low	42.7	Very low	58 Å²	58	101 Å²	101	41%	0.406	57%	0.571	S	S	.	*	H	α-helix	trans	-68.9	-22.3	-178.1	53.2	0	0	0	0	113.7	K250 V251 G256 S257	K250-S254 PolarHBondContact O-N 3Å; K250-S254 PolarHBondContact O-OG 3.21Å; V251-S254 PolarHBondContact O-N 2.73Å; V251-S254 PolarHBondContact O-OG 2.86Å; S254-G256 PolarHBondContact O-N 3.05Å; S254-S257 PolarHBondContact O-N 2.72Å
255	L	42.8	Very low	42.1	Very low	151 Å²	151	101 Å²	101	79%	0.791	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	-6.6	170.3	-77.1	165.2	0	0	0	114.2	V251 R253	V251-L255 HydrophobicContact CG1-CD1 4.37Å; V251-L255 PolarHBondContact O-N 3.46Å; R253-L255 VanDerWaalsContact C-N 3.27Å; R253-L255 PolarHBondContact O-N 3.14Å
256	G	36.9	Very low	41.2	Very low	72 Å²	72	106.2 Å²	106.2	74%	0.742	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.9	-10.4	179.1	0	0	0	0	0	116.1	R253 S254	R253-G256 PolarHBondContact O-N 3.15Å; R253-G256 VanDerWaalsContact O-N 3.09Å; S254-G256 PolarHBondContact O-N 3.05Å
257	S	29	Very low	40.1	Very low	85 Å²	85	107.4 Å²	107.4	59%	0.594	59%	0.594	S	S	*	*	S	Bend	trans	-146	113	-174.5	57.1	0	0	0	0	111.1	S254 E259	S254-S257 PolarHBondContact O-N 2.72Å; S257-E259 PolarHBondContact O-N 3.34Å; S257-E259 VanDerWaalsContact O-N 3.1Å
258	G	33.2	Very low	39.4	Very low	90 Å²	90	107.1 Å²	107.1	93%	0.928	59%	0.593	S	S	*	*			trans	-81.2	85	-176.3	0	0	0	0	0	113.6
259	E	29.7	Very low	39.1	Very low	186 Å²	186	107.8 Å²	107.8	87%	0.869	60%	0.596	S	S	*	*			trans	-144.7	140.7	167.7	-113.1	168.4	-160.4	0	0	111.9	S257	S257-E259 PolarHBondContact O-N 3.34Å; S257-E259 VanDerWaalsContact O-N 3.1Å
260	D	33.2	Very low	38.1	Very low	128 Å²	128	109.8 Å²	109.8	68%	0.684	61%	0.607	S	S	*	*			trans	-8.5	111.5	-176.6	-74.3	-0.9	0	0	0	121	K262	D260-K262 PolarHBondContact O-N 3.5Å; D260-K262 VanDerWaalsContact O-N 3.13Å
261	G	35.3	Very low	37.6	Very low	42 Å²	42	108.1 Å²	108.1	43%	0.433	60%	0.601	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.7	-6.9	170	0	0	0	0	0	116.4	C263 I264	G261-C263 VanDerWaalsContact C-N 3.28Å; G261-C263 PolarHBondContact O-N 2.86Å; G261-I264 WeakPolarHBondContact O-CB 3.44Å; G261-I264 WeakPolarHBondContact O-CG1 3.26Å; G261-I264 PolarHBondContact O-N 3.43Å
262	K	36	Very low	37.2	Very low	169 Å²	169	108.1 Å²	108.1	74%	0.735	60%	0.598	S	S	*	*	H	α-helix	trans	-63.8	-24.5	-173.4	-76.3	178	177.7	168.3	0	115.3	D260 I264	D260-K262 PolarHBondContact O-N 3.5Å; D260-K262 VanDerWaalsContact O-N 3.13Å; K262-I264 VanDerWaalsContact C-N 3.28Å
263	C	34.8	Very low	37	Very low	116 Å²	116	108.8 Å²	108.8	78%	0.784	59%	0.591	S	S	*	*	H	α-helix	trans	-79.9	-10.2	175.8	-92.1	0	0	0	0	113.5	G261	G261-C263 VanDerWaalsContact C-N 3.28Å; G261-C263 PolarHBondContact O-N 2.86Å
264	I	35.9	Very low	36.7	Very low	67 Å²	67	104.4 Å²	104.4	34%	0.344	59%	0.586	S	S	.	*	H	α-helix	trans	-86.7	-45.6	-172.4	-50.7	-178.4	0	0	0	110.1	G261 K262 K266 F267 Y268	G261-I264 WeakPolarHBondContact O-CB 3.44Å; G261-I264 WeakPolarHBondContact O-CG1 3.26Å; G261-I264 PolarHBondContact O-N 3.43Å; K262-I264 VanDerWaalsContact C-N 3.28Å; I264-K266 PolarHBondContact O-N 3.21Å; I264-F267 PolarHBondContact O-N 2.8Å; I264-Y268 HydrophobicContact CG2-CD2 4.46Å; I264-Y268 HydrophobicContact CG2-CE1 4.21Å; I264-Y268 HydrophobicContact CG2-CE2 3.57Å; I264-Y268 VanDerWaalsContact CG2-CZ 3.43Å; I264-Y268 VanDerWaalsContact CG2-OH 3.26Å; I264-Y268 WeakPolarHBondContact CG2-OH 3.38Å
265	D	35.5	Very low	36.7	Very low	106 Å²	106	104.8 Å²	104.8	57%	0.567	58%	0.583	S	S	*	*	H	α-helix	trans	-60.7	-42.4	-176.2	-60.1	-35.8	0	0	0	113.1	F267 Y268 E269	D265-F267 PolarHBondContact O-N 2.98Å; D265-Y268 WeakPolarHBondContact O-CB 3.47Å; D265-Y268 PolarHBondContact O-N 3.4Å; D265-E269 PolarHBondContact O-N 2.83Å
266	K	34.4	Very low	36.5	Very low	152 Å²	152	100.5 Å²	100.5	66%	0.661	56%	0.561	S	S	*	*	H	α-helix	trans	-60.9	-28.8	178.8	-103.1	-169.1	171.9	-168.4	0	114.1	I264 Y268	I264-K266 PolarHBondContact O-N 3.21Å; K266-Y268 VanDerWaalsContact C-N 3.35Å
267	F	32.6	Very low	36.8	Very low	98 Å²	98	106.1 Å²	106.1	43%	0.43	56%	0.56	S	S	.	*	H	α-helix	trans	-76.4	-26.8	176.8	-162.8	-91.2	0	0	0	111.6	I264 D265 E271	I264-F267 PolarHBondContact O-N 2.8Å; D265-F267 PolarHBondContact O-N 2.98Å; F267-E271 HydrophobicContact CD1-CG 4.29Å; F267-E271 HydrophobicContact CE1-CG 3.86Å; F267-E271 WeakPolarHBondContact CE1-OE1 3.23Å; F267-E271 PolarHBondContact O-N 3.05Å
268	Y	36.3	Very low	37.5	Very low	84 Å²	84	108.3 Å²	108.3	33%	0.329	56%	0.559	S	S	.	*	H	α-helix	trans	-73.3	-29	177.4	-60.8	-35.4	0	0	0	113.1	I264 D265 K266 N272	I264-Y268 HydrophobicContact CG2-CD2 4.46Å; I264-Y268 HydrophobicContact CG2-CE1 4.21Å; I264-Y268 HydrophobicContact CG2-CE2 3.57Å; I264-Y268 VanDerWaalsContact CG2-CZ 3.43Å; I264-Y268 VanDerWaalsContact CG2-OH 3.26Å; I264-Y268 WeakPolarHBondContact CG2-OH 3.38Å; D265-Y268 WeakPolarHBondContact O-CB 3.47Å; D265-Y268 PolarHBondContact O-N 3.4Å; K266-Y268 VanDerWaalsContact C-N 3.35Å; Y268-N272 PolarHBondContact O-ND2 2.71Å
269	E	41.3	Very low	37.7	Very low	126 Å²	126	107.6 Å²	107.6	59%	0.589	53%	0.533	S	S	*	.	H	α-helix	trans	-66.8	-48.9	173	-68.2	-179.2	116.3	0	0	111.3	D265 N272 I273	D265-E269 PolarHBondContact O-N 2.83Å; E269-N272 PolarHBondContact O-N 2.85Å; E269-I273 WeakPolarHBondContact O-CD1 3.16Å; E269-I273 VanDerWaalsContact O-CG1 3.29Å; E269-I273 WeakPolarHBondContact O-CG1 3.43Å; E269-I273 PolarHBondContact O-N 3.38Å; E269-I273 VanDerWaalsContact O-N 3.08Å
270	E	40.4	Very low	38	Very low	141 Å²	141	102.8 Å²	102.8	66%	0.659	52%	0.516	S	S	*	.	H	α-helix	trans	-67.1	-40.9	-173.8	-66.1	-173.7	168	0	0	113.5	C274	E270-C274 PolarHBondContact O-N 2.83Å; E270-C274 VanDerWaalsContact O-N 3.15Å
271	E	39	Very low	38.2	Very low	77 Å²	77	99.4 Å²	99.4	36%	0.36	51%	0.511	S	S	.	.	H	α-helix	trans	-63.3	-44	175.4	-81	-165.3	154.1	0	0	112.2	F267 I273 C274 I275	F267-E271 HydrophobicContact CD1-CG 4.29Å; F267-E271 HydrophobicContact CE1-CG 3.86Å; F267-E271 WeakPolarHBondContact CE1-OE1 3.23Å; F267-E271 PolarHBondContact O-N 3.05Å; E271-I273 PolarHBondContact O-N 3.04Å; E271-C274 WeakPolarHBondContact O-CB 3.39Å; E271-C274 PolarHBondContact O-N 3.46Å; E271-I275 WeakPolarHBondContact O-CG1 3.37Å; E271-I275 PolarHBondContact O-N 3.04Å
272	N	38.7	Very low	38.2	Very low	72 Å²	72	102.9 Å²	102.9	39%	0.385	52%	0.519	S	S	.	.	H	α-helix	trans	-65.5	-39.7	-179.4	-75.3	-33.9	0	0	0	111.7	Y268 E269 C274 I275 N276	Y268-N272 PolarHBondContact O-ND2 2.71Å; E269-N272 PolarHBondContact O-N 2.85Å; N272-C274 VanDerWaalsContact C-N 3.29Å; N272-C274 PolarHBondContact O-N 2.78Å; N272-I275 PolarHBondContact O-N 3.34Å; N272-N276 WeakPolarHBondContact O-CB 3.49Å; N272-N276 VanDerWaalsContact O-CG 3.27Å; N272-N276 PolarHBondContact O-N 3.06Å; N272-N276 PolarHBondContact O-ND2 2.85Å
273	I	42.5	Very low	37.9	Very low	88 Å²	88	97.8 Å²	97.8	45%	0.451	51%	0.508	S	S	.	.	H	α-helix	trans	-60.5	-39.8	173.7	-69.4	164.8	0	0	0	111.1	E269 E271 R277	E269-I273 WeakPolarHBondContact O-CD1 3.16Å; E269-I273 VanDerWaalsContact O-CG1 3.29Å; E269-I273 WeakPolarHBondContact O-CG1 3.43Å; E269-I273 PolarHBondContact O-N 3.38Å; E269-I273 VanDerWaalsContact O-N 3.08Å; E271-I273 PolarHBondContact O-N 3.04Å; I273-R277 WeakPolarHBondContact O-CG 3.28Å; I273-R277 PolarHBondContact O-N 2.88Å; I273-R277 VanDerWaalsContact O-N 3.1Å
274	C	41.7	Very low	37.5	Very low	85 Å²	85	97.3 Å²	97.3	57%	0.574	50%	0.502	S	S	*	.	H	α-helix	trans	-66.8	-45.2	179	-164.1	0	0	0	0	112.2	E270 E271 N272 R277 K278	E270-C274 PolarHBondContact O-N 2.83Å; E270-C274 VanDerWaalsContact O-N 3.15Å; E271-C274 WeakPolarHBondContact O-CB 3.39Å; E271-C274 PolarHBondContact O-N 3.46Å; N272-C274 VanDerWaalsContact C-N 3.29Å; N272-C274 PolarHBondContact O-N 2.78Å; C274-R277 PolarHBondContact O-N 2.9Å; C274-K278 PolarHBondContact O-N 2.81Å
275	I	41.9	Very low	37.2	Very low	65 Å²	65	99.8 Å²	99.8	33%	0.333	52%	0.522	S	S	.	.	H	α-helix	trans	-61.9	-46.1	175.7	-66.9	167.5	0	0	0	110.7	E271 N272 R277 K278 I279	E271-I275 WeakPolarHBondContact O-CG1 3.37Å; E271-I275 PolarHBondContact O-N 3.04Å; N272-I275 PolarHBondContact O-N 3.34Å; I275-R277 VanDerWaalsContact C-N 3.35Å; I275-R277 PolarHBondContact O-N 2.81Å; I275-K278 VanDerWaalsContact O-CB 3.3Å; I275-K278 WeakPolarHBondContact O-CB 3.43Å; I275-K278 PolarHBondContact O-N 3.42Å; I275-K278 VanDerWaalsContact O-N 3.09Å; I275-I279 HydrophobicContact CG2-CD1 3.95Å; I275-I279 PolarHBondContact O-N 3.11Å; I275-I279 VanDerWaalsContact O-N 3.13Å
276	N	39.2	Very low	36.8	Very low	62 Å²	62	104.3 Å²	104.3	33%	0.332	54%	0.54	S	S	.	.	H	α-helix	trans	-60.6	-41	180	-75.3	-19.2	0	0	0	112.3	N272 K278 I279 T280	N272-N276 WeakPolarHBondContact O-CB 3.49Å; N272-N276 VanDerWaalsContact O-CG 3.27Å; N272-N276 PolarHBondContact O-N 3.06Å; N272-N276 PolarHBondContact O-ND2 2.85Å; N276-K278 VanDerWaalsContact C-N 3.34Å; N276-K278 PolarHBondContact O-N 3.15Å; N276-I279 PolarHBondContact O-N 3.09Å; N276-T280 WeakPolarHBondContact O-CG2 3.48Å; N276-T280 PolarHBondContact O-N 2.93Å; N276-T280 PolarHBondContact O-OG1 2.81Å; N276-T280 VanDerWaalsContact O-OG1 3.13Å
277	R	42.9	Very low	36.4	Very low	189 Å²	189	100 Å²	100	71%	0.713	54%	0.539	S	S	*	.	H	α-helix	trans	-61.9	-39	173.5	-76.2	178.4	175	177.4	0.2	112.9	I273 C274 I275 I279 T280 G281	I273-R277 WeakPolarHBondContact O-CG 3.28Å; I273-R277 PolarHBondContact O-N 2.88Å; I273-R277 VanDerWaalsContact O-N 3.1Å; C274-R277 PolarHBondContact O-N 2.9Å; I275-R277 VanDerWaalsContact C-N 3.35Å; I275-R277 PolarHBondContact O-N 2.81Å; R277-I279 VanDerWaalsContact C-N 3.26Å; R277-I279 PolarHBondContact O-N 2.84Å; R277-T280 PolarHBondContact O-OG1 2.89Å; R277-G281 PolarHBondContact O-N 3.06Å
278	K	42.4	Very low	36.1	Very low	132 Å²	132	101.9 Å²	101.9	57%	0.574	56%	0.559	S	S	*	*	H	α-helix	trans	-62.8	-33.8	177.7	-142.4	179.3	-179.8	-174.6	0	111.6	D239 C274 I275 N276 I282	D239-K278 IonicContact OD2-NZ 3.18Å; D239-K278 PolarHBondContact OD2-NZ 3.45Å; C274-K278 PolarHBondContact O-N 2.81Å; I275-K278 VanDerWaalsContact O-CB 3.3Å; I275-K278 WeakPolarHBondContact O-CB 3.43Å; I275-K278 PolarHBondContact O-N 3.42Å; I275-K278 VanDerWaalsContact O-N 3.09Å; N276-K278 VanDerWaalsContact C-N 3.34Å; N276-K278 PolarHBondContact O-N 3.15Å; K278-I282 WeakPolarHBondContact O-CD1 3.43Å
279	I	37.1	Very low	35.5	Very low	74 Å²	74	103.5 Å²	103.5	38%	0.379	58%	0.582	S	S	.	*	H	α-helix	trans	-81.7	-46.7	179	-64	169.5	0	0	0	111.6	I275 N276 R277 G281 I282	I275-I279 HydrophobicContact CG2-CD1 3.95Å; I275-I279 PolarHBondContact O-N 3.11Å; I275-I279 VanDerWaalsContact O-N 3.13Å; N276-I279 PolarHBondContact O-N 3.09Å; R277-I279 VanDerWaalsContact C-N 3.26Å; R277-I279 PolarHBondContact O-N 2.84Å; I279-G281 VanDerWaalsContact C-N 3.3Å; I279-G281 PolarHBondContact O-N 2.83Å; I279-I282 PolarHBondContact O-N 3.29Å
280	T	36.4	Very low	34.7	Very low	86 Å²	86	109.3 Å²	109.3	53%	0.528	60%	0.599	S	S	.	*	H	α-helix	trans	-66.7	-30.1	-177.2	52.7	0	0	0	0	113.3	N276 R277 I282 A283	N276-T280 WeakPolarHBondContact O-CG2 3.48Å; N276-T280 PolarHBondContact O-N 2.93Å; N276-T280 PolarHBondContact O-OG1 2.81Å; N276-T280 VanDerWaalsContact O-OG1 3.13Å; R277-T280 PolarHBondContact O-OG1 2.89Å; T280-I282 PolarHBondContact O-N 3.45Å; T280-I282 VanDerWaalsContact O-N 3.12Å; T280-A283 PolarHBondContact O-N 3.13Å
281	G	37.1	Very low	33.8	Very low	56 Å²	56	108.4 Å²	108.4	58%	0.577	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64	-10.5	175.2	0	0	0	0	0	115.5	R277 I279	R277-G281 PolarHBondContact O-N 3.06Å; I279-G281 VanDerWaalsContact C-N 3.3Å; I279-G281 PolarHBondContact O-N 2.83Å
282	I	36	Very low	33.2	Very low	116 Å²	116	112.9 Å²	112.9	60%	0.595	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	-12	178.8	-60.9	167.2	0	0	0	111.5	K278 I279 T280	K278-I282 WeakPolarHBondContact O-CD1 3.43Å; I279-I282 PolarHBondContact O-N 3.29Å; T280-I282 PolarHBondContact O-N 3.45Å; T280-I282 VanDerWaalsContact O-N 3.12Å
283	A	30.3	Very low	32.4	Very low	61 Å²	61	115.1 Å²	115.1	50%	0.504	65%	0.649	S	S	.	*			trans	-90.1	-3.8	-167.4	0	0	0	0	0	115.9	T280 P285	T280-A283 PolarHBondContact O-N 3.13Å; A283-P285 WeakPolarHBondContact O-CD 3.32Å
284	T	26.3	Very low	31.7	Very low	106 Å²	106	115.5 Å²	115.5	65%	0.65	66%	0.659	S	S	*	*			trans	-87.7	115.5	179.3	48.3	0	0	0	0	111.8	E286	T284-E286 PolarHBondContact O-N 3.32Å
285	P	29.8	Very low	30.8	Very low	120 Å²	120	120.4 Å²	120.4	78%	0.779	67%	0.674	S	S	*	*			trans	-73.5	116.5	172.1	29.6	-32.4	0	0	0	110.1	A283 G287	A283-P285 WeakPolarHBondContact O-CD 3.32Å; P285-G287 VanDerWaalsContact C-N 3.35Å; P285-G287 PolarHBondContact O-N 3.46Å
286	E	25.9	Very low	30	Very low	200 Å²	200	123.3 Å²	123.3	94%	0.935	70%	0.697	S	S	*	*			trans	-68.7	88.9	175.6	-68.6	-166.1	139.6	0	0	111.2	T284	T284-E286 PolarHBondContact O-N 3.32Å
287	G	27.7	Very low	29.3	Very low	63 Å²	63	128.5 Å²	128.5	65%	0.649	72%	0.719	S	S	*	*			trans	-107.9	62.3	-173.5	0	0	0	0	0	114.2	P285	P285-G287 VanDerWaalsContact C-N 3.35Å; P285-G287 PolarHBondContact O-N 3.46Å
288	T	24.8	Very low	28.5	Very low	136 Å²	136	127.4 Å²	127.4	83%	0.834	72%	0.722	S	S	*	*			trans	53.6	105.8	164.4	56.1	0	0	0	0	119
289	S	25.2	Very low	27.5	Very low	118 Å²	118	130.3 Å²	130.3	83%	0.825	74%	0.737	S	S	*	*				-167.3	133.3	109.3	52	0	0	0	0	113.9
290	R	24.5	Very low	26.8	Very low	248 Å²	248	132.3 Å²	132.3	94%	0.936	76%	0.758	S	S	*	*			trans	45.5	116.8	160.8	-70.8	-175.9	173.2	163.9	-0.6	120.4
291	C	20.9	Very low	26	Very low	123 Å²	123	133.1 Å²	133.1	83%	0.831	77%	0.767	S	S	*	*			trans	-50	141.3	163.5	-36.3	0	0	0	0	113.9
292	L	25.6	Very low	25.4	Very low	170 Å²	170	138 Å²	138	89%	0.89	78%	0.779	S	S	*	*				-147.2	169.5	128.8	-104.4	169	0	0	0	108.2
293	T	23	Very low	24.8	Very low	119 Å²	119	137.2 Å²	137.2	73%	0.73	78%	0.783	S	S	*	*			trans	-107.7	175.7	-150.8	50	0	0	0	0	116.3
294	S	26.2	Very low	24.4	Very low	96 Å²	96	139.7 Å²	139.7	67%	0.671	80%	0.797	S	S	*	*			trans	71.4	97.7	159.1	47.8	0	0	0	0	119.5
295	E	23.5	Very low	24.3	Very low	189 Å²	189	143.1 Å²	143.1	88%	0.883	81%	0.81	S	S	*	*				61.8	121	122.3	-66.4	174	163.1	0	0	120.8
296	P	24.6	Very low	24	Very low	126 Å²	126	140.9 Å²	140.9	82%	0.818	81%	0.809	S	S	*	*			trans	-101.5	150.2	170.4	37.9	-30.8	0	0	0	112.7
297	E	24.2	Very low	23.9	Very low	170 Å²	170	137.3 Å²	137.3	79%	0.794	80%	0.8	S	S	*	*			trans	-154.1	154.6	160	-133.9	-172	-126.3	0	0	115.4
298	Q	26.4	Very low	23.7	Very low	166 Å²	166	142.7 Å²	142.7	78%	0.776	81%	0.813	S	S	*	*			trans	72.2	117	163	-55	-172.6	23.1	0	0	120.1
299	H	22	Very low	23.6	Very low	193 Å²	193	145.3 Å²	145.3	89%	0.894	82%	0.816	S	S	*	*			trans	-80.9	147.7	166.9	-72.6	-131.2	0	0	0	111.5
300	S	21.6	Very low	23.6	Very low	116 Å²	116	145.1 Å²	145.1	81%	0.811	81%	0.81	S	S	*	*			trans	-160.2	157.3	131.1	47.6	0	0	0	0	112.6
301	S	21.5	Very low	23.5	Very low	103 Å²	103	142.8 Å²	142.8	72%	0.72	81%	0.812	S	S	*	*			trans	-25.8	142.4	174.4	52.5	0	0	0	0	118.9
302	L	23.5	Very low	23.7	Very low	158 Å²	158	142.1 Å²	142.1	83%	0.827	81%	0.809	S	S	*	*				-173.6	145.7	113.6	-97	160.7	0	0	0	114.1
303	C	22.9	Very low	23.4	Very low	101 Å²	101	145.6 Å²	145.6	68%	0.682	81%	0.81	S	S	*	*			trans	43.7	125.1	148.3	-71.5	0	0	0	0	124.9
304	S	23.2	Very low	23.4	Very low	113 Å²	113	150 Å²	150	79%	0.79	82%	0.819	S	S	*	*				78	145.7	125.7	63.6	0	0	0	0	122.7
305	L	23.1	Very low	23.3	Very low	178 Å²	178	150.8 Å²	150.8	93%	0.932	83%	0.825	S	S	*	*			trans	-47	142.2	161.1	-77.2	59.8	0	0	0	111.1
306	G	22.9	Very low	23.4	Very low	73 Å²	73	148.4 Å²	148.4	75%	0.753	82%	0.818	S	S	*	*			trans	-179.5	-21.7	173.7	0	0	0	0	0	118.5
307	T	24.8	Very low	23.1	Very low	124 Å²	124	149.2 Å²	149.2	76%	0.761	82%	0.82	S	S	*	*			trans	-142.8	75.5	-171.5	-40.8	0	0	0	0	113.8
308	L	24	Very low	23.3	Very low	176 Å²	176	147 Å²	147	92%	0.921	82%	0.818	S	S	*	*	S	Bend	trans	-138.4	10.3	168.3	-115.3	171.9	0	0	0	115
309	E	22.8	Very low	23.1	Very low	192 Å²	192	143.5 Å²	143.5	90%	0.897	81%	0.813	S	S	*	*	S	Bend	trans	-103.8	-5.1	179.1	-67.1	-165.8	104.5	0	0	114.5
310	T	23.8	Very low	23.1	Very low	114 Å²	114	142.5 Å²	142.5	70%	0.699	81%	0.809	S	S	*	*	S	Bend	trans	-103.6	10.3	-162.1	-5.7	0	0	0	0	116.2
311	M	23.6	Very low	23.4	Very low	199 Å²	199	144 Å²	144	98%	0.98	81%	0.812	S	S	*	*	S	Bend	trans	-126.9	12.8	-179.7	-78.9	-166.3	146.2	0	0	115.9
312	S	23.9	Very low	23.4	Very low	109 Å²	109	142.3 Å²	142.3	76%	0.762	81%	0.811	S	S	*	*	S	Bend	trans	-128.6	55.8	174.7	-160.7	0	0	0	0	113.3
313	R	21.1	Very low	23.6	Very low	242 Å²	242	146.5 Å²	146.5	91%	0.913	82%	0.816	S	S	*	*	S	Bend	trans	-174.2	133.4	160.4	-100.6	146.3	-173.5	-166.6	2.6	110.2
314	K	22.1	Very low	23.5	Very low	211 Å²	211	147 Å²	147	92%	0.917	82%	0.821	S	S	*	*			trans	95.1	69	178.4	-57.6	177.9	178.3	178.1	0	117.6
315	S	24.3	Very low	23.6	Very low	114 Å²	114	152 Å²	152	80%	0.797	83%	0.828	S	S	*	*			trans	-167	128.2	149.8	-173.9	0	0	0	0	108.7
316	L	25	Very low	23.7	Very low	139 Å²	139	147.7 Å²	147.7	73%	0.728	82%	0.819	S	S	*	*			cis	-149.2	141.7	-15.8	-150.6	91.7	0	0	0	108.2
317	T	19.2	Very low	23.6	Very low	142 Å²	142	150.2 Å²	150.2	87%	0.871	82%	0.82	S	S	*	*			trans	-127.1	95.3	173.1	51.7	0	0	0	0	110.6
318	T	27.5	Very low	23.7	Very low	123 Å²	123	153.9 Å²	153.9	76%	0.755	83%	0.829	S	S	*	*			trans	-148.8	140.3	167.8	43.5	0	0	0	0	109.2
319	S	22.8	Very low	23.5	Very low	94 Å²	94	151.7 Å²	151.7	66%	0.657	82%	0.823	S	S	*	*			trans	-89	171.1	-177.1	63	0	0	0	0	113.5
320	E	22.6	Very low	23.6	Very low	172 Å²	172	152.3 Å²	152.3	80%	0.804	83%	0.825	S	S	*	*			trans	45.1	113	146.6	-65.2	158.3	130.4	0	0	120.2
321	V	27.2	Very low	23.6	Very low	146 Å²	146	152 Å²	152	89%	0.885	83%	0.828	S	S	*	*				-146.1	130.5	103.6	165.5	0	0	0	0	107.7
322	G	21.7	Very low	23.5	Very low	68 Å²	68	147.2 Å²	147.2	70%	0.701	82%	0.82	S	S	*	*			trans	-90	155.4	-178.2	0	0	0	0	0	114.7
323	R	26.6	Very low	23.9	Very low	247 Å²	247	147.3 Å²	147.3	93%	0.932	82%	0.818	S	S	*	*			trans	-144.3	103.6	157.6	-97.5	-173.9	179.4	-179.3	0.7	110.9
324	S	21.2	Very low	24	Very low	112 Å²	112	144.2 Å²	144.2	78%	0.783	82%	0.819	S	S	*	*			trans	-83.6	134	163.9	53.4	0	0	0	0	110.3
325	F	25.4	Very low	24	Very low	216 Å²	216	138 Å²	138	95%	0.947	82%	0.815	S	S	*	*			trans	-133.8	151.5	155.3	-113.7	-87.1	0	0	0	109.7
326	A	25.1	Very low	23.9	Very low	89 Å²	89	137.1 Å²	137.1	74%	0.736	81%	0.814	S	S	*	*			trans	-94.5	161.9	-156	0	0	0	0	0	115.1
327	T	21.2	Very low	23.7	Very low	126 Å²	126	135.6 Å²	135.6	77%	0.773	82%	0.815	S	S	*	*			trans	-36.6	141.8	166.1	50.4	0	0	0	0	115.9
328	Q	25.7	Very low	24.1	Very low	201 Å²	201	136.5 Å²	136.5	94%	0.939	81%	0.814	S	S	*	*			trans	-127.8	154.2	134.2	-77.4	-165.2	-19.5	0	0	109.8
329	T	21.3	Very low	24	Very low	130 Å²	130	135.9 Å²	135.9	80%	0.798	81%	0.811	S	S	*	*			trans	-114.7	140.5	-169.7	48	0	0	0	0	111.3
330	E	24.4	Very low	24.2	Very low	204 Å²	204	137.4 Å²	137.4	95%	0.953	82%	0.818	S	S	*	*			trans	-156.2	158.7	150.8	-126.2	169.9	-149.3	0	0	110.6
331	S	23.6	Very low	24.4	Very low	108 Å²	108	138.5 Å²	138.5	76%	0.755	82%	0.815	S	S	*	*			trans	-138.7	108.5	-155	58.6	0	0	0	0	116.2
332	A	22.5	Very low	24.6	Very low	99 Å²	99	136.7 Å²	136.7	82%	0.818	80%	0.801	S	S	*	*			trans	62	-179.3	152.6	0	0	0	0	0	116.8
333	P	31.3	Very low	25.3	Very low	110 Å²	110	137.8 Å²	137.8	71%	0.714	80%	0.795	S	S	*	*			cis	-130.3	170.7	-10.5	39.8	-23.7	0	0	0	115.9
334	L	22.4	Very low	25.9	Very low	178 Å²	178	128.8 Å²	128.8	93%	0.932	77%	0.77	S	S	*	*			trans	32.7	108.6	147.7	-66.1	166	0	0	0	120.2
335	G	22.4	Very low	26.7	Very low	81 Å²	81	132.9 Å²	132.9	84%	0.835	77%	0.769	S	S	*	*			trans	-170	134.7	165.6	0	0	0	0	0	114.3
336	A	22.1	Very low	27.2	Very low	94 Å²	94	128.1 Å²	128.1	78%	0.777	75%	0.753	S	S	*	*			trans	-58	157.1	-167.9	0	0	0	0	0	118.4
337	S	22.2	Very low	28.2	Very low	107 Å²	107	127.6 Å²	127.6	75%	0.748	74%	0.735	S	S	*	*			trans	57.4	115.5	157.1	59.8	0	0	0	0	120
338	N	26.8	Very low	29.3	Very low	161 Å²	161	126.8 Å²	126.8	86%	0.861	73%	0.725	S	S	*	*				-158.9	162.9	118.2	-107.1	-47.1	0	0	0	112.4
339	T	24.9	Very low	30.2	Very low	111 Å²	111	120.4 Å²	120.4	68%	0.681	70%	0.699	S	S	*	*			trans	-91.5	144.9	-170	49.5	0	0	0	0	113.7	R341	T339-R341 PolarHBondContact O-N 2.77Å
340	P	27.6	Very low	31.5	Very low	125 Å²	125	117.3 Å²	117.3	81%	0.812	68%	0.678	S	S	*	*			trans	-81.3	79.4	172	33.6	-34	0	0	0	111.1	N342	P340-N342 PolarHBondContact O-N 2.88Å
341	R	27.8	Very low	32.7	Very low	196 Å²	196	110.4 Å²	110.4	74%	0.74	65%	0.647	S	S	*	*			trans	-70.9	94.8	165.9	-91.6	-174.1	169.7	171.4	-2.2	109.8	D223 T339	D223-R341 IonicContact OD2-CZ 3.59Å; D223-R341 IonicContact OD2-NE 3.6Å; D223-R341 IonicContact OD2-NH2 3.79Å; D223-R341 PolarHBondContact OD2-NH2 3.45Å; T339-R341 PolarHBondContact O-N 2.77Å
342	N	30.3	Very low	33.6	Very low	108 Å²	108	108.1 Å²	108.1	58%	0.578	63%	0.63	S	S	*	*			trans	-147.4	100.9	167.4	-144.9	-18.4	0	0	0	110.9	P340 S344 W345	P340-N342 PolarHBondContact O-N 2.88Å; N342-S344 PolarHBondContact O-N 2.98Å; N342-S344 VanDerWaalsContact O-N 3.15Å; N342-S344 PolarHBondContact OD1-OG 2.99Å; N342-S344 VanDerWaalsContact OD1-OG 3.06Å; N342-W345 PolarHBondContact O-N 3.01Å
343	P	36.1	Very low	34.4	Very low	90 Å²	90	107 Å²	107	58%	0.584	61%	0.608	S	S	*	*	H	α-helix	trans	-61	-26.8	-173.4	-24.5	34.2	0	0	0	114.1	W345 L346 H347	P343-W345 PolarHBondContact O-N 3.21Å; P343-L346 PolarHBondContact O-N 3.39Å; P343-H347 PolarHBondContact O-N 2.91Å
344	S	40.5	Very low	35.1	Very low	59 Å²	59	106.3 Å²	106.3	41%	0.413	60%	0.598	S	S	.	*	H	α-helix	trans	-54.2	-35.4	178.4	52.6	0	0	0	0	113.5	N342 L348	N342-S344 PolarHBondContact O-N 2.98Å; N342-S344 VanDerWaalsContact O-N 3.15Å; N342-S344 PolarHBondContact OD1-OG 2.99Å; N342-S344 VanDerWaalsContact OD1-OG 3.06Å; S344-L348 WeakPolarHBondContact O-CB 3.44Å; S344-L348 WeakPolarHBondContact O-CG 3.26Å; S344-L348 PolarHBondContact O-N 3.38Å
345	W	36.6	Very low	36	Very low	198 Å²	198	100.9 Å²	100.9	75%	0.75	57%	0.569	S	S	*	*	H	α-helix	trans	-75.1	-38.1	-177.1	-146.3	44.6	0	0	0	112.1	N342 P343 L348 V349	N342-W345 PolarHBondContact O-N 3.01Å; P343-W345 PolarHBondContact O-N 3.21Å; W345-L348 PolarHBondContact O-N 3.04Å; W345-V349 VanDerWaalsContact O-CG2 3.29Å; W345-V349 WeakPolarHBondContact O-CG2 3.31Å; W345-V349 PolarHBondContact O-N 3.46Å
346	L	36.2	Very low	36.9	Very low	116 Å²	116	99 Å²	99	61%	0.607	54%	0.539	S	S	*	.	H	α-helix	trans	-69	-38.3	172.2	-79.8	165.6	0	0	0	111.9	P343 V349 L350	P343-L346 PolarHBondContact O-N 3.39Å; L346-V349 PolarHBondContact O-N 3.31Å; L346-L350 PolarHBondContact O-N 3.3Å
347	H	47.1	Very low	37.7	Very low	78 Å²	78	99.9 Å²	99.9	36%	0.361	53%	0.53	S	S	.	.	H	α-helix	trans	-64.2	-42.2	174.8	-135	-109.1	0	0	0	111.2	W225 P343 L350 I351	W225-H347 AromaticContact CZ3-CD2 3.93Å; W225-H347 AromaticContact CZ3-NE2 3.86Å; P343-H347 PolarHBondContact O-N 2.91Å; H347-L350 PolarHBondContact O-N 2.97Å; H347-I351 VanDerWaalsContact O-CB 3.31Å; H347-I351 WeakPolarHBondContact O-CB 3.49Å; H347-I351 VanDerWaalsContact O-CG1 3.23Å; H347-I351 WeakPolarHBondContact O-CG1 3.26Å; H347-I351 PolarHBondContact O-N 3.16Å
348	L	42.7	Very low	38.5	Very low	108 Å²	108	99 Å²	99	57%	0.565	52%	0.517	S	S	*	.	H	α-helix	trans	-62.8	-42.2	172.4	-81	166	0	0	0	112.6	S344 W345 I351 C352	S344-L348 WeakPolarHBondContact O-CB 3.44Å; S344-L348 WeakPolarHBondContact O-CG 3.26Å; S344-L348 PolarHBondContact O-N 3.38Å; W345-L348 PolarHBondContact O-N 3.04Å; L348-I351 PolarHBondContact O-N 3.47Å; L348-C352 WeakPolarHBondContact O-CB 3.36Å; L348-C352 PolarHBondContact O-N 3.3Å
349	V	46.1	Very low	39.1	Very low	67 Å²	67	96.7 Å²	96.7	41%	0.406	50%	0.504	S	S	.	.	H	α-helix	trans	-64.2	-42.2	177	167.1	0	0	0	0	111.6	W345 L346 C352 H353	W345-V349 VanDerWaalsContact O-CG2 3.29Å; W345-V349 WeakPolarHBondContact O-CG2 3.31Å; W345-V349 PolarHBondContact O-N 3.46Å; L346-V349 PolarHBondContact O-N 3.31Å; V349-C352 WeakPolarHBondContact O-CB 3.4Å; V349-C352 PolarHBondContact O-N 3.38Å; V349-H353 PolarHBondContact O-N 3.41Å; V349-H353 PolarHBondContact O-ND1 2.65Å
350	L	47	Very low	40.4	Very low	66 Å²	66	95.4 Å²	95.4	35%	0.346	49%	0.491	S	S	.	.	H	α-helix	trans	-71.1	-38.3	178.8	-152.2	89.3	0	0	0	112.2	W225 L346 H347 C352 H353 L354	W225-L350 HydrophobicContact CH2-CD2 3.97Å; L346-L350 PolarHBondContact O-N 3.3Å; H347-L350 PolarHBondContact O-N 2.97Å; L350-C352 VanDerWaalsContact C-N 3.33Å; L350-H353 PolarHBondContact O-N 3.45Å; L350-L354 HydrophobicContact CD2-CD1 4.42Å; L350-L354 PolarHBondContact O-N 2.88Å
351	I	51.5	Low	42.1	Very low	58 Å²	58	90.7 Å²	90.7	30%	0.297	46%	0.46	S	S	.	.	H	α-helix	trans	-63.5	-40.2	171.6	-71.8	168.2	0	0	0	110.1	H347 L348 L354 L355	H347-I351 VanDerWaalsContact O-CB 3.31Å; H347-I351 WeakPolarHBondContact O-CB 3.49Å; H347-I351 VanDerWaalsContact O-CG1 3.23Å; H347-I351 WeakPolarHBondContact O-CG1 3.26Å; H347-I351 PolarHBondContact O-N 3.16Å; L348-I351 PolarHBondContact O-N 3.47Å; I351-L354 PolarHBondContact O-N 3.27Å; I351-L355 HydrophobicContact CG2-CD1 3.65Å; I351-L355 HydrophobicContact CG2-CG 4.25Å; I351-L355 VanDerWaalsContact O-CB 3.25Å; I351-L355 WeakPolarHBondContact O-CB 3.37Å; I351-L355 VanDerWaalsContact O-CG 3.24Å; I351-L355 WeakPolarHBondContact O-CG 3.47Å; I351-L355 PolarHBondContact O-N 3.37Å
352	C	40.9	Very low	44.3	Very low	61 Å²	61	81.3 Å²	81.3	41%	0.412	43%	0.425	S	S	.	.	H	α-helix	trans	-56.8	-50.6	170.6	-112.7	0	0	0	0	111.4	L348 V349 L350 L354 L355 Q356	L348-C352 WeakPolarHBondContact O-CB 3.36Å; L348-C352 PolarHBondContact O-N 3.3Å; V349-C352 WeakPolarHBondContact O-CB 3.4Å; V349-C352 PolarHBondContact O-N 3.38Å; L350-C352 VanDerWaalsContact C-N 3.33Å; C352-L354 PolarHBondContact O-N 3.4Å; C352-L355 CarbonylContact O-C 3.47Å; C352-L355 PolarHBondContact O-N 2.92Å; C352-Q356 WeakPolarHBondContact O-CB 3.2Å; C352-Q356 PolarHBondContact O-N 3.06Å; C352-Q356 PolarHBondContact O-OE1 3.4Å
353	H	40.9	Very low	46.9	Very low	76 Å²	76	77.1 Å²	77.1	35%	0.352	40%	0.403	S	S	.	.	H	α-helix	trans	-64.5	-38.4	-178.2	-78.1	65.5	0	0	0	112.9	V349 L350	V349-H353 PolarHBondContact O-N 3.41Å; V349-H353 PolarHBondContact O-ND1 2.65Å; L350-H353 PolarHBondContact O-N 3.45Å
354	L	44.9	Very low	49.5	Very low	94 Å²	94	72.9 Å²	72.9	49%	0.492	38%	0.376	S	S	.	.	H	α-helix	trans	-68.4	-36.8	174.5	-84.4	159.7	0	0	0	112.2	L350 I351 C352	L350-L354 HydrophobicContact CD2-CD1 4.42Å; L350-L354 PolarHBondContact O-N 2.88Å; I351-L354 PolarHBondContact O-N 3.27Å; C352-L354 PolarHBondContact O-N 3.4Å
355	L	41.3	Very low	52	Low	65 Å²	65	72 Å²	72	34%	0.34	37%	0.365	S	S	.	.	H	α-helix	trans	-77.4	-28.4	175.2	-70.4	176.1	0	0	0	113	I351 C352 N357 L358 L359	I351-L355 HydrophobicContact CG2-CD1 3.65Å; I351-L355 HydrophobicContact CG2-CG 4.25Å; I351-L355 VanDerWaalsContact O-CB 3.25Å; I351-L355 WeakPolarHBondContact O-CB 3.37Å; I351-L355 VanDerWaalsContact O-CG 3.24Å; I351-L355 WeakPolarHBondContact O-CG 3.47Å; I351-L355 PolarHBondContact O-N 3.37Å; C352-L355 CarbonylContact O-C 3.47Å; C352-L355 PolarHBondContact O-N 2.92Å; L355-N357 PolarHBondContact O-N 3.33Å; L355-L358 CarbonylContact O-C 3.49Å; L355-L358 WeakPolarHBondContact O-CA 3.42Å; L355-L358 PolarHBondContact O-N 3.07Å; L355-L359 HydrophobicContact CB-CD1 4.07Å; L355-L359 WeakPolarHBondContact O-CD1 3.36Å; L355-L359 PolarHBondContact O-N 2.96Å
356	Q	40.9	Very low	54.9	Low	41 Å²	41	62.6 Å²	62.6	19%	0.192	33%	0.329	C	S	.	.	H	α-helix	trans	-63.3	-31	175.6	-99.9	113	41.6	0	0	111.8	C352 L358 I492	C352-Q356 WeakPolarHBondContact O-CB 3.2Å; C352-Q356 PolarHBondContact O-N 3.06Å; C352-Q356 PolarHBondContact O-OE1 3.4Å; Q356-L358 VanDerWaalsContact C-N 3.26Å; Q356-L358 PolarHBondContact O-N 3.49Å; Q356-I492 HydrophobicContact CG-CB 4.22Å
357	N	39.4	Very low	57.8	Low	112 Å²	112	61 Å²	61	60%	0.599	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	5.7	172.2	-68.6	-16.7	0	0	0	113.5	L355	L355-N357 PolarHBondContact O-N 3.33Å
358	L	39.4	Very low	60.2	Low	88 Å²	88	57.2 Å²	57.2	46%	0.461	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.8	-10	179.6	-72.9	170.2	0	0	0	113.8	L355 Q356	L355-L358 CarbonylContact O-C 3.49Å; L355-L358 WeakPolarHBondContact O-CA 3.42Å; L355-L358 PolarHBondContact O-N 3.07Å; Q356-L358 VanDerWaalsContact C-N 3.26Å; Q356-L358 PolarHBondContact O-N 3.49Å
359	L	39.1	Very low	62.8	Low	113 Å²	113	54 Å²	54	59%	0.592	28%	0.281	S	S	*	.	S	Bend	trans	-88.1	127.7	177.5	-103.7	70.3	0	0	0	110.7	L355	L355-L359 HydrophobicContact CB-CD1 4.07Å; L355-L359 WeakPolarHBondContact O-CD1 3.36Å; L355-L359 PolarHBondContact O-N 2.96Å
360	M	52.6	Low	65.3	Low	85 Å²	85	51.3 Å²	51.3	42%	0.419	27%	0.266	S	S	.	.			trans	-65.2	122.5	179	-53.2	-176.6	-64.2	0	0	109.5	G362 E418 F489	M360-G362 VanDerWaalsContact C-N 3.29Å; M360-G362 PolarHBondContact O-N 3.34Å; M360-E418 HydrophobicContact CE-CG 4.02Å; M360-E418 WeakPolarHBondContact CE-OE1 3.41Å; M360-E418 HydrophobicContact SD-CB 3.92Å; M360-E418 VanDerWaalsContact SD-CD 3.6Å; M360-E418 HydrophobicContact SD-CG 3.9Å; M360-F489 VanDerWaalsContact O-CD2 3.31Å; M360-F489 WeakPolarHBondContact O-CD2 3.46Å
361	P	62	Low	67.6	Low	25 Å²	25	48.3 Å²	48.3	16%	0.162	25%	0.251	C	S	.	.	S	Bend	trans	-71.9	-19.8	-171.1	25.3	-32.6	0	0	0	113.5	A419 D421 L488 F489	P361-A419 WeakPolarHBondContact CD-O 3.36Å; P361-D421 HydrophobicContact CB-CB 4.18Å; P361-D421 HydrophobicContact CG-CB 3.87Å; P361-L488 CarbonylContact O-C 3.54Å; P361-L488 WeakPolarHBondContact O-CA 3.32Å; P361-F489 PolarHBondContact O-N 2.69Å
362	G	75.3	Confident	69.8	Low	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	159.4	170.4	0	0	0	0	0	115.8	M360 N487	M360-G362 VanDerWaalsContact C-N 3.29Å; M360-G362 PolarHBondContact O-N 3.34Å; G362-N487 CarbonylContact C-O 3.54Å; G362-N487 VanDerWaalsContact CA-O 3.24Å; G362-N487 WeakPolarHBondContact CA-O 3.32Å
363	T	85.2	Confident	72.4	Confident	20 Å²	20	50 Å²	50	12%	0.123	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	119	164.9	44.7	0	0	0	0	110.1	E418 N487 F489	T363-E418 HydrophobicContact CG2-CG 4.09Å; T363-N487 PolarHBondContact N-O 3.29Å; T363-N487 PolarHBondContact O-N 3.07Å; T363-F489 HydrophobicContact CG2-CE2 4.08Å
364	L	89.8	Confident	75	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	121.5	173.8	172.7	70.6	0	0	0	108.4	V366 F392 F417 L452 V484 R485 L486	L364-V366 HydrophobicContact CG-CG2 4.18Å; L364-F392 HydrophobicContact CD2-CB 4.15Å; L364-F392 HydrophobicContact CD2-CD1 3.7Å; L364-F392 HydrophobicContact CD2-CD2 3.88Å; L364-F392 HydrophobicContact CD2-CE1 4.06Å; L364-F392 HydrophobicContact CD2-CE2 4.23Å; L364-F392 HydrophobicContact CD2-CG 3.61Å; L364-F392 HydrophobicContact CD2-CZ 4.31Å; L364-F417 HydrophobicContact CB-CB 4.2Å; L364-F417 HydrophobicContact CD2-CB 4.41Å; L364-F417 HydrophobicContact CD2-CD2 4.22Å; L364-F417 HydrophobicContact CG-CD2 4.38Å; L364-F417 PolarHBondContact N-O 2.95Å; L364-F417 PolarHBondContact O-N 2.98Å; L364-L452 HydrophobicContact CD1-CD1 4.11Å; L364-L452 HydrophobicContact CD1-CD2 3.79Å; L364-L452 HydrophobicContact CD2-CD1 3.9Å; L364-L452 HydrophobicContact CD2-CD2 4.44Å; L364-V484 HydrophobicContact CD1-CG1 3.59Å; L364-R485 WeakPolarHBondContact CA-O 3.36Å; L364-L486 HydrophobicContact CB-CD1 4.09Å; L364-L486 HydrophobicContact CD1-CD1 4.48Å
365	Q	93.2	Very high	77.4	Confident	41 Å²	41	43.1 Å²	43.1	19%	0.192	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	126.8	-178.6	-37.8	-172.2	-38.2	0	0	109.4	W414 F415 L416 V484 R485 N487	Q365-W414 HydrophobicContact CB-CD2 4.37Å; Q365-W414 HydrophobicContact CB-CE3 3.58Å; Q365-W414 HydrophobicContact CB-CZ3 4.03Å; Q365-F415 CarbonylContact C-O 3.48Å; Q365-F415 WeakPolarHBondContact CA-O 3.45Å; Q365-L416 HydrophobicContact CB-CD2 3.87Å; Q365-L416 HydrophobicContact CG-CD2 3.63Å; Q365-V484 CarbonylContact O-C 3.59Å; Q365-V484 WeakPolarHBondContact O-CA 3.44Å; Q365-R485 HydrophobicContact CB-CB 4.21Å; Q365-R485 PolarHBondContact N-O 3.32Å; Q365-R485 PolarHBondContact O-N 2.89Å; Q365-N487 PolarHBondContact NE2-ND2 2.89Å
366	V	96.9	Very high	79.9	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	132.6	-176.1	-174	0	0	0	0	110.2	L364 V390 F415 F417 L429 L431 V482 I483 V484	L364-V366 HydrophobicContact CG-CG2 4.18Å; V366-V390 HydrophobicContact CB-CG1 4.16Å; V366-V390 HydrophobicContact CG1-CG1 3.84Å; V366-F415 HydrophobicContact CB-CB 4.43Å; V366-F415 PolarHBondContact N-O 3.33Å; V366-F415 WeakPolarHBondContact O-CD2 3.42Å; V366-F415 PolarHBondContact O-N 3.44Å; V366-F417 HydrophobicContact CB-CE2 4.37Å; V366-F417 HydrophobicContact CG2-CD2 4.18Å; V366-F417 HydrophobicContact CG2-CE2 3.91Å; V366-L429 HydrophobicContact CB-CD2 4.5Å; V366-L429 HydrophobicContact CG1-CD2 4.03Å; V366-L429 HydrophobicContact CG2-CD1 3.87Å; V366-L429 HydrophobicContact CG2-CD2 3.6Å; V366-L429 HydrophobicContact CG2-CG 4.41Å; V366-L431 HydrophobicContact CG1-CD2 4.4Å; V366-V482 HydrophobicContact CG1-CG1 3.9Å; V366-I483 WeakPolarHBondContact CA-O 3.46Å; V366-V484 HydrophobicContact CG2-CG1 4.5Å
367	R	96.9	Very high	82.3	Confident	82 Å²	82	43.6 Å²	43.6	31%	0.309	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	123.9	177.8	-162.8	-177.2	-178	176.2	7.4	111.1	N411 S412 W414 V482 I483	R367-N411 PolarHBondContact NH2-O 3.11Å; R367-S412 WeakPolarHBondContact CD-O 3.44Å; R367-S412 WeakPolarHBondContact CG-O 3.48Å; R367-S412 PolarHBondContact NE-O 3.44Å; R367-S412 PolarHBondContact NH2-O 3.34Å; R367-W414 HydrophobicContact CB-CD2 4.05Å; R367-W414 HydrophobicContact CB-CE3 3.74Å; R367-W414 HydrophobicContact CB-CH2 4.11Å; R367-W414 HydrophobicContact CB-CZ2 4.39Å; R367-W414 HydrophobicContact CB-CZ3 3.79Å; R367-V482 WeakPolarHBondContact O-CA 3.37Å; R367-V482 WeakPolarHBondContact O-CG1 3.36Å; R367-I483 HydrophobicContact CB-CB 4.39Å; R367-I483 PolarHBondContact N-O 2.85Å; R367-I483 PolarHBondContact O-N 3.48Å
368	V	97.9	Very high	84.6	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	114.4	-178.9	178.5	0	0	0	0	109.6	V388 V390 T399 W410 N411 S412 F415 L431 I480	V368-V388 HydrophobicContact CG1-CG2 4.13Å; V368-V390 HydrophobicContact CG2-CG2 3.92Å; V368-T399 HydrophobicContact CB-CG2 4.07Å; V368-T399 HydrophobicContact CG1-CG2 4.17Å; V368-T399 HydrophobicContact CG2-CG2 4.33Å; V368-W410 HydrophobicContact CG1-CD2 4.27Å; V368-W410 HydrophobicContact CG1-CE3 3.6Å; V368-W410 HydrophobicContact CG1-CZ3 4.08Å; V368-N411 CarbonylContact O-C 3.53Å; V368-N411 PolarHBondContact O-N 2.75Å; V368-S412 PolarHBondContact N-OG 3.06Å; V368-S412 PolarHBondContact O-N 3.07Å; V368-F415 HydrophobicContact CG2-CE2 4.21Å; V368-L431 HydrophobicContact CG2-CD2 4.23Å; V368-I480 HydrophobicContact CG1-CD1 3.97Å; V368-I480 HydrophobicContact CG1-CG1 4.39Å
369	I	97.6	Very high	86.7	Confident	41 Å²	41	47.7 Å²	47.7	21%	0.21	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-61.7	-174.6	-55.7	-178.8	0	0	0	111	K409 W410 N411 N481 I483	I369-K409 CarbonylContact O-C 3.56Å; I369-W410 PolarHBondContact O-N 3.11Å; I369-W410 VanDerWaalsContact O-N 3.07Å; I369-N411 PolarHBondContact O-N 3.05Å; I369-N481 HydrophobicContact CB-CB 4.17Å; I369-N481 WeakPolarHBondContact CB-O 3.39Å; I369-N481 PolarHBondContact N-O 3.47Å; I369-I483 HydrophobicContact CD1-CD1 3.94Å; I369-I483 HydrophobicContact CD1-CG1 3.94Å
370	A	97.7	Very high	88.9	Confident	10 Å²	10	46.8 Å²	46.8	8%	0.083	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	158.7	-169.1	0	0	0	0	0	112.2	P408 K409 W466 I480 N481	A370-P408 CarbonylContact C-O 3.6Å; A370-P408 WeakPolarHBondContact CA-O 3.28Å; A370-P408 WeakPolarHBondContact CB-O 3.5Å; A370-K409 HydrophobicContact CB-CG 4.08Å; A370-W466 HydrophobicContact CB-CH2 4.01Å; A370-I480 CarbonylContact O-C 3.58Å; A370-I480 WeakPolarHBondContact O-CA 3.32Å; A370-N481 PolarHBondContact O-N 3.37Å
371	G	97.2	Very high	90.4	Very high	3 Å²	3	44.2 Å²	44.2	3%	0.031	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	157.7	164	0	0	0	0	0	110.8	N407 P408 W410 E479	G371-N407 CarbonylContact O-C 3.58Å; G371-N407 VanDerWaalsContact O-CA 3.28Å; G371-N407 WeakPolarHBondContact O-CA 3.27Å; G371-P408 PolarHBondContact N-O 2.76Å; G371-W410 VanDerWaalsContact N-CZ3 3.35Å; G371-E479 CarbonylContact C-O 3.54Å; G371-E479 WeakPolarHBondContact CA-O 3.41Å
372	R	96.6	Very high	91.7	Very high	107 Å²	107	50.3 Å²	50.3	40%	0.404	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	146.5	169.4	72.5	-175.7	-179.2	179.8	0.6	112.3	L374 N407 W466 G478 E479	R372-L374 VanDerWaalsContact C-N 3.27Å; R372-L374 PolarHBondContact O-N 3.1Å; R372-N407 VanDerWaalsContact CA-OD1 3.26Å; R372-N407 WeakPolarHBondContact CA-OD1 3.41Å; R372-N407 WeakPolarHBondContact CB-OD1 3.4Å; R372-W466 HydrophobicContact CB-CH2 3.98Å; R372-W466 HydrophobicContact CB-CZ3 3.84Å; R372-W466 HydrophobicContact CG-CD2 4.49Å; R372-W466 HydrophobicContact CG-CE3 3.77Å; R372-W466 HydrophobicContact CG-CH2 3.89Å; R372-W466 HydrophobicContact CG-CZ3 3.45Å; R372-W466 VanDerWaalsContact CG-CZ3 3.45Å; R372-G478 WeakPolarHBondContact O-CA 3.33Å; R372-E479 HydrophobicContact CG-CB 4.13Å; R372-E479 IonicContact CZ-OE2 2.7Å; R372-E479 PolarHBondContact N-O 3.23Å; R372-E479 IonicContact NE-OE2 3.83Å; R372-E479 PolarHBondContact NE-OE2 3.12Å; R372-E479 IonicContact NH2-OE2 2.69Å; R372-E479 PolarHBondContact NH2-OE2 3.45Å; R372-E479 PolarHBondContact O-N 3.45Å
373	G	95.2	Very high	92.5	Very high	48 Å²	48	51.6 Å²	51.6	50%	0.495	27%	0.271	S	S	.	.	S	Bend	trans	60.9	32.7	177.2	0	0	0	0	0	114.2	L406 N407 G478	G373-L406 PolarHBondContact N-O 3.47Å; G373-L406 VanDerWaalsContact N-O 3.17Å; G373-N407 PolarHBondContact N-OD1 3.24Å; G373-G478 WeakPolarHBondContact O-CA 3.46Å
374	L	96.5	Very high	92.8	Very high	6 Å²	6	50.7 Å²	50.7	3%	0.031	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-62.5	149.1	174.2	-57	-176.2	0	0	0	110.2	R372 A386 L406 P408 V433 V445 I469	R372-L374 VanDerWaalsContact C-N 3.27Å; R372-L374 PolarHBondContact O-N 3.1Å; L374-A386 HydrophobicContact CD1-CB 3.81Å; L374-L406 PolarHBondContact N-O 3.03Å; L374-P408 HydrophobicContact CD1-CG 3.79Å; L374-V433 HydrophobicContact CD1-CG1 4.49Å; L374-V433 HydrophobicContact CD2-CG1 4.47Å; L374-V445 HydrophobicContact CD2-CG1 4.49Å; L374-I469 HydrophobicContact CD2-CD1 3.37Å
375	P	95	Very high	93	Very high	19 Å²	19	52.2 Å²	52.2	12%	0.123	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-66.1	151.8	169.3	31.5	-37	0	0	0	110.6	M377 T384 V445 R477	P375-M377 HydrophobicContact CB-SD 4.47Å; P375-M377 HydrophobicContact CG-CG 4.47Å; P375-M377 HydrophobicContact CG-SD 3.95Å; P375-M377 PolarHBondContact O-N 3.4Å; P375-T384 PolarHBondContact O-OG1 2.95Å; P375-V445 HydrophobicContact CG-CG1 3.79Å; P375-R477 WeakPolarHBondContact CD-O 3.39Å; P375-R477 HydrophobicContact CG-CB 4.25Å
376	V	93.5	Very high	93.2	Very high	73 Å²	73	50.3 Å²	50.3	44%	0.442	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-64.4	127.7	162	176.9	0	0	0	0	108.5	D378 E382 L406	V376-D378 WeakPolarHBondContact CG1-O 3.33Å; V376-E382 WeakPolarHBondContact CG2-O 3.39Å; V376-L406 HydrophobicContact CG2-CD1 3.87Å; V376-L406 HydrophobicContact CG2-CD2 4.14Å
377	M	91.1	Very high	93.2	Very high	42 Å²	42	50.7 Å²	50.7	21%	0.207	27%	0.267	C	S	.	.			trans	-112.9	-52.5	177.9	-62.8	-63.6	-64.6	0	0	110.1	P375 R379 T383 T384 D435 D443 V445	P375-M377 HydrophobicContact CB-SD 4.47Å; P375-M377 HydrophobicContact CG-CG 4.47Å; P375-M377 HydrophobicContact CG-SD 3.95Å; P375-M377 PolarHBondContact O-N 3.4Å; M377-R379 PolarHBondContact O-N 2.61Å; M377-T383 PolarHBondContact N-O 3.4Å; M377-T384 HydrophobicContact CB-CG2 4.15Å; M377-T384 HydrophobicContact CG-CG2 3.85Å; M377-T384 PolarHBondContact N-OG1 3.14Å; M377-D435 HydrophobicContact CB-CB 4.02Å; M377-D435 WeakPolarHBondContact CB-OD2 3.48Å; M377-D435 HydrophobicContact CG-CB 4.2Å; M377-D443 HydrophobicContact CE-CB 3.81Å; M377-V445 HydrophobicContact CG-CG2 4Å; M377-V445 HydrophobicContact SD-CG2 4.34Å
378	D	87.2	Confident	93.2	Very high	54 Å²	54	46.8 Å²	46.8	29%	0.289	25%	0.252	S	S	.	.	B	Isolated β-bridge	trans	-77.4	120.9	171.7	172.4	34.4	0	0	0	111.7	V376 A380 S381 E382 T383	V376-D378 WeakPolarHBondContact CG1-O 3.33Å; D378-A380 WeakPolarHBondContact OD1-CB 3.37Å; D378-A380 PolarHBondContact OD1-N 2.73Å; D378-S381 WeakPolarHBondContact OD2-CB 3.17Å; D378-S381 PolarHBondContact OD2-N 2.91Å; D378-S381 PolarHBondContact OD2-OG 3.49Å; D378-E382 PolarHBondContact O-N 2.82Å; D378-T383 PolarHBondContact N-O 3.07Å; D378-T383 VanDerWaalsContact N-O 3.08Å; D378-T383 PolarHBondContact O-N 3.13Å
379	R	84.5	Confident	93.2	Very high	232 Å²	232	48.1 Å²	48.1	88%	0.875	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-16.9	177.4	-60.1	-177	-174.8	176.8	2.6	113.8	M377	M377-R379 PolarHBondContact O-N 2.61Å
380	A	84.7	Confident	93.2	Very high	95 Å²	95	46.2 Å²	46.2	79%	0.785	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-32.5	-178.3	0	0	0	0	0	112.6	D378	D378-A380 WeakPolarHBondContact OD1-CB 3.37Å; D378-A380 PolarHBondContact OD1-N 2.73Å
381	S	84.3	Confident	93.1	Very high	31 Å²	31	49.3 Å²	49.3	22%	0.217	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-10.7	175.4	63.7	0	0	0	0	114.8	D378 T383	D378-S381 WeakPolarHBondContact OD2-CB 3.17Å; D378-S381 PolarHBondContact OD2-N 2.91Å; D378-S381 PolarHBondContact OD2-OG 3.49Å; S381-T383 VanDerWaalsContact CB-OG1 3.28Å; S381-T383 WeakPolarHBondContact CB-OG1 3.41Å; S381-T383 PolarHBondContact O-N 2.78Å; S381-T383 PolarHBondContact OG-N 2.88Å; S381-T383 PolarHBondContact OG-OG1 3.09Å
382	E	89.4	Confident	93	Very high	153 Å²	153	49.4 Å²	49.4	72%	0.715	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	28.9	-165.8	-57.9	-167.5	153.6	0	0	113.1	V376 D378	V376-E382 WeakPolarHBondContact CG2-O 3.39Å; D378-E382 PolarHBondContact O-N 2.82Å
383	T	92.2	Very high	92.6	Very high	27 Å²	27	45 Å²	45	17%	0.166	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-140.2	-156.5	-177.9	61.7	0	0	0	0	111.8	M377 D378 S381 K404	M377-T383 PolarHBondContact N-O 3.4Å; D378-T383 PolarHBondContact N-O 3.07Å; D378-T383 VanDerWaalsContact N-O 3.08Å; D378-T383 PolarHBondContact O-N 3.13Å; S381-T383 VanDerWaalsContact CB-OG1 3.28Å; S381-T383 WeakPolarHBondContact CB-OG1 3.41Å; S381-T383 PolarHBondContact O-N 2.78Å; S381-T383 PolarHBondContact OG-N 2.88Å; S381-T383 PolarHBondContact OG-OG1 3.09Å; T383-K404 WeakPolarHBondContact OG1-CA 3.38Å; T383-K404 WeakPolarHBondContact OG1-CB 3.31Å
384	T	91.8	Very high	92.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.261	C	S	.	.			trans	-151.9	130.3	-173	-54.4	0	0	0	0	107.4	P375 M377 A386 K404 S405 L406 D435 V445	P375-T384 PolarHBondContact O-OG1 2.95Å; M377-T384 HydrophobicContact CB-CG2 4.15Å; M377-T384 HydrophobicContact CG-CG2 3.85Å; M377-T384 PolarHBondContact N-OG1 3.14Å; T384-A386 HydrophobicContact CG2-CB 4.12Å; T384-A386 PolarHBondContact O-N 2.8Å; T384-K404 PolarHBondContact O-N 3.07Å; T384-S405 PolarHBondContact O-N 3.24Å; T384-L406 WeakPolarHBondContact OG1-CD2 3.24Å; T384-D435 WeakPolarHBondContact CA-OD1 3.42Å; T384-D435 HydrophobicContact CG2-CB 4.08Å; T384-D435 WeakPolarHBondContact CG2-OD1 3.34Å; T384-V445 HydrophobicContact CG2-CG2 4.32Å
385	D	94.2	Very high	92	Very high	33 Å²	33	50.4 Å²	50.4	18%	0.176	28%	0.276	C	S	.	.			trans	-93.6	69.1	178.5	-78.8	-0.7	0	0	0	108.7	I401 Y402 P403 K404 D435 Y436	D385-I401 HydrophobicContact CB-CG2 4.29Å; D385-Y402 CarbonylContact C-O 3.53Å; D385-P403 VanDerWaalsContact OD1-CA 3.31Å; D385-P403 WeakPolarHBondContact OD1-CA 3.4Å; D385-K404 VanDerWaalsContact OD1-CG 3.25Å; D385-K404 WeakPolarHBondContact OD1-CG 3.36Å; D385-K404 PolarHBondContact OD1-N 3.38Å; D385-D435 PolarHBondContact N-OD1 2.83Å; D385-Y436 VanDerWaalsContact O-CB 3.27Å; D385-Y436 WeakPolarHBondContact O-CB 3.2Å; D385-Y436 PolarHBondContact O-N 3.41Å
386	A	96.2	Very high	92	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	135	-160.5	0	0	0	0	0	114.7	L374 T384 Y402 P408 W410 M434	L374-A386 HydrophobicContact CD1-CB 3.81Å; T384-A386 HydrophobicContact CG2-CB 4.12Å; T384-A386 PolarHBondContact O-N 2.8Å; A386-Y402 PolarHBondContact N-O 3.02Å; A386-Y402 PolarHBondContact O-N 3.23Å; A386-P408 HydrophobicContact CB-CB 4.48Å; A386-P408 HydrophobicContact CB-CG 4.08Å; A386-W410 HydrophobicContact CB-CH2 4.49Å; A386-W410 HydrophobicContact CB-CZ2 3.83Å; A386-W410 PolarHBondContact O-NE1 2.97Å; A386-M434 WeakPolarHBondContact CA-O 3.39Å
387	F	96.9	Very high	92.2	Very high	9 Å²	9	54 Å²	54	4%	0.039	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	166.7	164.9	74.9	-80.3	0	0	0	111.4	E389 R398 I401 M434 Y436 N442	F387-E389 HydrophobicContact CD2-CG 4.48Å; F387-E389 HydrophobicContact CE2-CG 3.86Å; F387-R398 HydrophobicContact CE2-CG 4.42Å; F387-I401 HydrophobicContact CB-CG1 4.05Å; F387-I401 HydrophobicContact CD1-CG1 4.31Å; F387-I401 HydrophobicContact CG-CG1 4.34Å; F387-M434 HydrophobicContact CD1-CB 3.84Å; F387-M434 HydrophobicContact CD2-CB 4.37Å; F387-M434 HydrophobicContact CE1-CB 3.33Å; F387-M434 HydrophobicContact CE1-CG 4.32Å; F387-M434 HydrophobicContact CE2-CB 3.91Å; F387-M434 HydrophobicContact CE2-CG 4.16Å; F387-M434 HydrophobicContact CG-CB 4.33Å; F387-M434 HydrophobicContact CZ-CB 3.36Å; F387-M434 HydrophobicContact CZ-CG 3.86Å; F387-M434 PolarHBondContact N-O 3.12Å; F387-M434 PolarHBondContact O-N 3.03Å; F387-Y436 HydrophobicContact CE1-CD2 4.47Å; F387-N442 HydrophobicContact CE1-CB 4.38Å; F387-N442 WeakPolarHBondContact CE1-ND2 3.39Å; F387-N442 WeakPolarHBondContact CZ-ND2 3.35Å
388	V	98.1	Very high	92.4	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	124.7	-177.4	-169.4	0	0	0	0	110.6	V368 V390 R398 T399 W410 L431 R432 V433 I480	V368-V388 HydrophobicContact CG1-CG2 4.13Å; V388-V390 HydrophobicContact CG1-CG2 4.41Å; V388-R398 CarbonylContact O-C 3.58Å; V388-R398 VanDerWaalsContact O-CA 3.31Å; V388-R398 WeakPolarHBondContact O-CA 3.27Å; V388-T399 HydrophobicContact CB-CG2 3.96Å; V388-T399 HydrophobicContact CG2-CG2 4.43Å; V388-T399 PolarHBondContact N-OG1 3.07Å; V388-T399 PolarHBondContact O-N 2.8Å; V388-W410 HydrophobicContact CG2-CD2 4.3Å; V388-W410 HydrophobicContact CG2-CE3 4.17Å; V388-W410 HydrophobicContact CG2-CH2 3.43Å; V388-W410 VanDerWaalsContact CG2-CH2 3.43Å; V388-W410 HydrophobicContact CG2-CZ2 3.6Å; V388-W410 HydrophobicContact CG2-CZ3 3.74Å; V388-L431 HydrophobicContact CG1-CB 4.43Å; V388-L431 HydrophobicContact CG1-CD2 4.34Å; V388-R432 CarbonylContact C-O 3.58Å; V388-R432 WeakPolarHBondContact CA-O 3.5Å; V388-V433 HydrophobicContact CG2-CG2 4.28Å; V388-I480 HydrophobicContact CG1-CD1 3.93Å; V388-I480 HydrophobicContact CG2-CD1 3.88Å
389	E	97.5	Very high	92.9	Very high	28 Å²	28	57.6 Å²	57.6	13%	0.131	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	124.9	165.7	-43.1	-165.7	102.3	0	0	109	F387 V396 Y397 R398 L431 R432 M434	F387-E389 HydrophobicContact CD2-CG 4.48Å; F387-E389 HydrophobicContact CE2-CG 3.86Å; E389-V396 HydrophobicContact CB-CG1 4.39Å; E389-Y397 CarbonylContact C-O 3.53Å; E389-Y397 WeakPolarHBondContact CA-O 3.48Å; E389-R398 HydrophobicContact CB-CG 4.47Å; E389-R398 HydrophobicContact CG-CG 4.24Å; E389-R398 IonicContact OE1-CZ 3.19Å; E389-R398 IonicContact OE1-NE 2.72Å; E389-R398 PolarHBondContact OE1-NE 3.05Å; E389-R398 IonicContact OE1-NH2 3.49Å; E389-R398 PolarHBondContact OE1-NH2 2.78Å; E389-L431 CarbonylContact O-C 3.36Å; E389-L431 WeakPolarHBondContact O-CA 3.35Å; E389-R432 HydrophobicContact CB-CB 4.22Å; E389-R432 PolarHBondContact N-O 2.94Å; E389-R432 PolarHBondContact O-N 3.2Å; E389-R432 IonicContact OE2-NH1 2.55Å; E389-M434 HydrophobicContact CG-CG 4.03Å
390	V	97.6	Very high	93.4	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	111.1	178	-169.4	0	0	0	0	107.7	V366 V368 V388 V396 Y397 F415 F417 L429 L431	V366-V390 HydrophobicContact CB-CG1 4.16Å; V366-V390 HydrophobicContact CG1-CG1 3.84Å; V368-V390 HydrophobicContact CG2-CG2 3.92Å; V388-V390 HydrophobicContact CG1-CG2 4.41Å; V390-V396 WeakPolarHBondContact O-CA 3.43Å; V390-Y397 PolarHBondContact N-O 2.82Å; V390-Y397 PolarHBondContact O-N 3.19Å; V390-F415 HydrophobicContact CB-CD2 4.27Å; V390-F415 HydrophobicContact CG1-CD2 4.4Å; V390-F415 HydrophobicContact CG2-CD2 3.79Å; V390-F415 HydrophobicContact CG2-CE2 3.76Å; V390-F415 HydrophobicContact CG2-CZ 4.46Å; V390-F417 HydrophobicContact CB-CZ 4.4Å; V390-F417 HydrophobicContact CG1-CE2 3.9Å; V390-F417 HydrophobicContact CG1-CZ 3.82Å; V390-L429 HydrophobicContact CG1-CD1 3.97Å; V390-L431 HydrophobicContact CB-CD2 4.39Å; V390-L431 HydrophobicContact CG1-CD2 3.94Å; V390-L431 HydrophobicContact CG2-CD2 3.98Å
391	K	95.6	Very high	94	Very high	75 Å²	75	53.7 Å²	53.7	33%	0.326	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	135	-175.3	172.1	172.9	-175.8	-178.5	0	111.7	G393 T395 V396 Q430	K391-G393 WeakPolarHBondContact CE-O 3.41Å; K391-T395 WeakPolarHBondContact CA-O 3.3Å; K391-V396 HydrophobicContact CB-CG1 4.43Å; K391-V396 HydrophobicContact CB-CG2 4.04Å; K391-V396 HydrophobicContact CD-CG2 3.95Å; K391-V396 HydrophobicContact CG-CG2 3.91Å; K391-Q430 HydrophobicContact CB-CB 4.13Å; K391-Q430 PolarHBondContact N-O 2.85Å; K391-Q430 PolarHBondContact O-N 2.85Å
392	F	94.2	Very high	94.5	Very high	6 Å²	6	56.4 Å²	56.4	3%	0.026	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	128.9	166	-171.7	-111.2	0	0	0	110	L364 S394 T395 F417 A419 T423 L424 E427 L429 L452	L364-F392 HydrophobicContact CD2-CB 4.15Å; L364-F392 HydrophobicContact CD2-CD1 3.7Å; L364-F392 HydrophobicContact CD2-CD2 3.88Å; L364-F392 HydrophobicContact CD2-CE1 4.06Å; L364-F392 HydrophobicContact CD2-CE2 4.23Å; L364-F392 HydrophobicContact CD2-CG 3.61Å; L364-F392 HydrophobicContact CD2-CZ 4.31Å; F392-S394 PolarHBondContact O-N 3.3Å; F392-T395 PolarHBondContact N-O 2.94Å; F392-T395 PolarHBondContact O-N 3.36Å; F392-F417 HydrophobicContact CB-CB 4.49Å; F392-F417 HydrophobicContact CB-CD1 3.68Å; F392-F417 HydrophobicContact CB-CD2 4.31Å; F392-F417 HydrophobicContact CB-CE1 3.83Å; F392-F417 HydrophobicContact CB-CE2 4.45Å; F392-F417 HydrophobicContact CB-CG 3.92Å; F392-F417 HydrophobicContact CB-CZ 4.2Å; F392-F417 HydrophobicContact CD1-CB 4.21Å; F392-A419 HydrophobicContact CD1-CB 4.41Å; F392-A419 HydrophobicContact CE1-CB 3.77Å; F392-T423 HydrophobicContact CE1-CG2 3.82Å; F392-T423 HydrophobicContact CZ-CG2 4.07Å; F392-T423 WeakPolarHBondContact CZ-O 3.47Å; F392-L424 HydrophobicContact CE1-CD2 4.12Å; F392-L424 HydrophobicContact CZ-CD2 4.22Å; F392-E427 HydrophobicContact CD2-CB 4.32Å; F392-E427 HydrophobicContact CE2-CB 3.66Å; F392-E427 HydrophobicContact CZ-CB 3.96Å; F392-L429 HydrophobicContact CB-CD1 4.4Å; F392-L429 HydrophobicContact CD2-CB 4.4Å; F392-L452 HydrophobicContact CD2-CD1 4.42Å; F392-L452 HydrophobicContact CE1-CD1 4.42Å; F392-L452 HydrophobicContact CE2-CD1 3.55Å; F392-L452 HydrophobicContact CE2-CG 4.4Å; F392-L452 HydrophobicContact CZ-CD1 3.56Å
393	G	88	Confident	94.7	Very high	15 Å²	15	52.8 Å²	52.8	16%	0.155	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	-123.2	-172.4	0	0	0	0	0	112.7	K391	K391-G393 WeakPolarHBondContact CE-O 3.41Å
394	S	86.7	Confident	94.7	Very high	112 Å²	112	58 Å²	58	78%	0.783	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-29.9	173.3	46.6	0	0	0	0	113.6	F392	F392-S394 PolarHBondContact O-N 3.3Å
395	T	92.7	Very high	94.9	Very high	54 Å²	54	59.1 Å²	59.1	33%	0.331	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	138.3	-168.8	-56.3	0	0	0	0	112.3	K391 F392 Y397 F417	K391-T395 WeakPolarHBondContact CA-O 3.3Å; F392-T395 PolarHBondContact N-O 2.94Å; F392-T395 PolarHBondContact O-N 3.36Å; T395-Y397 HydrophobicContact CG2-CD2 4.3Å; T395-Y397 HydrophobicContact CG2-CE2 3.68Å; T395-F417 HydrophobicContact CG2-CD1 3.82Å; T395-F417 HydrophobicContact CG2-CE1 3.84Å
396	V	95.5	Very high	94.9	Very high	72 Å²	72	59.7 Å²	59.7	44%	0.436	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	124.8	179.1	-171.5	0	0	0	0	110.2	E389 V390 K391	E389-V396 HydrophobicContact CB-CG1 4.39Å; V390-V396 WeakPolarHBondContact O-CA 3.43Å; K391-V396 HydrophobicContact CB-CG1 4.43Å; K391-V396 HydrophobicContact CB-CG2 4.04Å; K391-V396 HydrophobicContact CD-CG2 3.95Å; K391-V396 HydrophobicContact CG-CG2 3.91Å
397	Y	97.2	Very high	94.9	Very high	97 Å²	97	63.9 Å²	63.9	38%	0.38	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	168.9	167.1	-61.3	-71.7	0	0	0	110.9	E389 V390 T395 F415 L416 F417	E389-Y397 CarbonylContact C-O 3.53Å; E389-Y397 WeakPolarHBondContact CA-O 3.48Å; V390-Y397 PolarHBondContact N-O 2.82Å; V390-Y397 PolarHBondContact O-N 3.19Å; T395-Y397 HydrophobicContact CG2-CD2 4.3Å; T395-Y397 HydrophobicContact CG2-CE2 3.68Å; Y397-F415 HydrophobicContact CD1-CD1 4.35Å; Y397-F415 HydrophobicContact CD2-CB 3.88Å; Y397-F415 HydrophobicContact CD2-CD1 4.08Å; Y397-F415 HydrophobicContact CD2-CG 4.33Å; Y397-F415 HydrophobicContact CE2-CB 4.5Å; Y397-F415 HydrophobicContact CG-CB 4.37Å; Y397-F415 AromaticContact CG-CD1 3.69Å; Y397-F415 HydrophobicContact CG-CD1 3.69Å; Y397-F415 HydrophobicContact CG-CE1 4.43Å; Y397-F415 HydrophobicContact CG-CG 4.36Å; Y397-L416 WeakPolarHBondContact CE2-O 3.4Å; Y397-L416 PolarHBondContact OH-O 3.19Å; Y397-F417 HydrophobicContact CD2-CD1 4.35Å; Y397-F417 AromaticContact CD2-CE1 3.63Å; Y397-F417 HydrophobicContact CD2-CE1 3.63Å; Y397-F417 HydrophobicContact CD2-CE2 4.2Å; Y397-F417 AromaticContact CD2-CZ 3.55Å; Y397-F417 HydrophobicContact CD2-CZ 3.55Å; Y397-F417 AromaticContact CE2-CD1 3.98Å; Y397-F417 HydrophobicContact CE2-CD1 3.98Å; Y397-F417 AromaticContact CE2-CE1 3.71Å; Y397-F417 HydrophobicContact CE2-CE1 3.71Å; Y397-F417 HydrophobicContact CE2-CE2 4.46Å; Y397-F417 HydrophobicContact CE2-CG 4.49Å; Y397-F417 AromaticContact CE2-CZ 3.98Å; Y397-F417 HydrophobicContact CE2-CZ 3.98Å
398	R	96.6	Very high	94.9	Very high	156 Å²	156	63.5 Å²	63.5	59%	0.589	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.8	146.8	174.8	-67.5	-178.5	174.5	151	-3	110.3	F387 V388 E389	F387-R398 HydrophobicContact CE2-CG 4.42Å; V388-R398 CarbonylContact O-C 3.58Å; V388-R398 VanDerWaalsContact O-CA 3.31Å; V388-R398 WeakPolarHBondContact O-CA 3.27Å; E389-R398 HydrophobicContact CB-CG 4.47Å; E389-R398 HydrophobicContact CG-CG 4.24Å; E389-R398 IonicContact OE1-CZ 3.19Å; E389-R398 IonicContact OE1-NE 2.72Å; E389-R398 PolarHBondContact OE1-NE 3.05Å; E389-R398 IonicContact OE1-NH2 3.49Å; E389-R398 PolarHBondContact OE1-NH2 2.78Å
399	T	97.4	Very high	94.9	Very high	14 Å²	14	70 Å²	70	9%	0.086	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-73.2	167.2	163.7	65.4	0	0	0	0	110.7	V368 V388 W410 F415	V368-T399 HydrophobicContact CB-CG2 4.07Å; V368-T399 HydrophobicContact CG1-CG2 4.17Å; V368-T399 HydrophobicContact CG2-CG2 4.33Å; V388-T399 HydrophobicContact CB-CG2 3.96Å; V388-T399 HydrophobicContact CG2-CG2 4.43Å; V388-T399 PolarHBondContact N-OG1 3.07Å; V388-T399 PolarHBondContact O-N 2.8Å; T399-W410 HydrophobicContact CG2-CB 4.42Å; T399-W410 HydrophobicContact CG2-CG 4.29Å; T399-F415 HydrophobicContact CG2-CE2 4.14Å; T399-F415 HydrophobicContact CG2-CZ 4.04Å
400	E	95.6	Very high	94.8	Very high	172 Å²	172	70.2 Å²	70.2	80%	0.804	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-59.5	160	158.4	-59.6	-173.7	157.6	0	0	111.2	W410	E400-W410 PolarHBondContact O-NE1 3.33Å
401	I	96	Very high	94.7	Very high	74 Å²	74	74.2 Å²	74.2	38%	0.379	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-83.5	126.2	175.7	-60.9	153.7	0	0	0	108.3	D385 F387 P403 Y436	D385-I401 HydrophobicContact CB-CG2 4.29Å; F387-I401 HydrophobicContact CB-CG1 4.05Å; F387-I401 HydrophobicContact CD1-CG1 4.31Å; F387-I401 HydrophobicContact CG-CG1 4.34Å; I401-P403 WeakPolarHBondContact O-CD 3.41Å; I401-Y436 HydrophobicContact CD1-CD1 3.89Å; I401-Y436 HydrophobicContact CD1-CD2 3.48Å; I401-Y436 VanDerWaalsContact CD1-CD2 3.48Å; I401-Y436 HydrophobicContact CD1-CE1 4.19Å; I401-Y436 HydrophobicContact CD1-CE2 3.82Å; I401-Y436 HydrophobicContact CD1-CG 3.53Å; I401-Y436 HydrophobicContact CG1-CD2 4.21Å; I401-Y436 HydrophobicContact CG1-CG 4.06Å; I401-Y436 HydrophobicContact CG2-CD1 4.35Å; I401-Y436 HydrophobicContact CG2-CG 4.17Å
402	Y	95.6	Very high	94.7	Very high	87 Å²	87	71.4 Å²	71.4	34%	0.341	36%	0.36	S	S	.	.	B	Isolated β-bridge	trans	-100.4	103.1	174.1	-165.1	-67.2	0	0	0	108.7	D385 A386 P408 K409	D385-Y402 CarbonylContact C-O 3.53Å; A386-Y402 PolarHBondContact N-O 3.02Å; A386-Y402 PolarHBondContact O-N 3.23Å; Y402-P408 HydrophobicContact CD1-CB 3.73Å; Y402-P408 HydrophobicContact CD2-CB 4.12Å; Y402-P408 HydrophobicContact CE1-CB 4.5Å; Y402-P408 HydrophobicContact CG-CB 3.52Å; Y402-K409 VanDerWaalsContact CD2-N 3.32Å; Y402-K409 HydrophobicContact CE2-CB 4.16Å; Y402-K409 VanDerWaalsContact CE2-N 3.31Å
403	P	93.5	Very high	94.8	Very high	78 Å²	78	77.6 Å²	77.6	51%	0.506	39%	0.393	S	S	.	.			trans	-70.2	146.3	-175.1	28.5	-35.1	0	0	0	112.5	D385 I401 S405	D385-P403 VanDerWaalsContact OD1-CA 3.31Å; D385-P403 WeakPolarHBondContact OD1-CA 3.4Å; I401-P403 WeakPolarHBondContact O-CD 3.41Å; P403-S405 PolarHBondContact O-N 3.36Å
404	K	92.5	Very high	95.1	Very high	136 Å²	136	80.6 Å²	80.6	59%	0.591	40%	0.4	S	S	*	.	S	Bend	trans	51.6	51.6	162.8	-56	-172	-180	-175.5	0	114.8	T383 T384 D385	T383-K404 WeakPolarHBondContact OG1-CA 3.38Å; T383-K404 WeakPolarHBondContact OG1-CB 3.31Å; T384-K404 PolarHBondContact O-N 3.07Å; D385-K404 VanDerWaalsContact OD1-CG 3.25Å; D385-K404 WeakPolarHBondContact OD1-CG 3.36Å; D385-K404 PolarHBondContact OD1-N 3.38Å
405	S	94.6	Very high	95.6	Very high	23 Å²	23	76.6 Å²	76.6	16%	0.161	37%	0.369	C	S	.	.			trans	-148.3	127.4	179.1	-173.1	0	0	0	0	113.9	T384 P403 N407	T384-S405 PolarHBondContact O-N 3.24Å; P403-S405 PolarHBondContact O-N 3.36Å; S405-N407 PolarHBondContact O-N 3.47Å; S405-N407 PolarHBondContact OG-N 3.1Å; S405-N407 PolarHBondContact OG-O 3.13Å
406	L	95.1	Very high	95.6	Very high	46 Å²	46	78.2 Å²	78.2	24%	0.241	38%	0.375	C	S	.	.	S	Bend	trans	-77.9	-3.6	167.3	-52.3	-175.8	0	0	0	112.9	G373 L374 V376 T384	G373-L406 PolarHBondContact N-O 3.47Å; G373-L406 VanDerWaalsContact N-O 3.17Å; L374-L406 PolarHBondContact N-O 3.03Å; V376-L406 HydrophobicContact CG2-CD1 3.87Å; V376-L406 HydrophobicContact CG2-CD2 4.14Å; T384-L406 WeakPolarHBondContact OG1-CD2 3.24Å
407	N	96.9	Very high	95.4	Very high	88 Å²	88	75 Å²	75	47%	0.471	36%	0.355	S	S	.	.	S	Bend	trans	-137.4	60.8	179	-56.2	-81.7	0	0	0	110.8	G371 R372 G373 S405	G371-N407 CarbonylContact O-C 3.58Å; G371-N407 VanDerWaalsContact O-CA 3.28Å; G371-N407 WeakPolarHBondContact O-CA 3.27Å; R372-N407 VanDerWaalsContact CA-OD1 3.26Å; R372-N407 WeakPolarHBondContact CA-OD1 3.41Å; R372-N407 WeakPolarHBondContact CB-OD1 3.4Å; G373-N407 PolarHBondContact N-OD1 3.24Å; S405-N407 PolarHBondContact O-N 3.47Å; S405-N407 PolarHBondContact OG-N 3.1Å; S405-N407 PolarHBondContact OG-O 3.13Å
408	P	96.4	Very high	94.8	Very high	0 Å²	0	76.8 Å²	76.8	0%	0	37%	0.367	C	S	.	.			trans	-67.8	154	-174.4	30.6	-38	0	0	0	112.4	A370 G371 L374 A386 Y402 W410	A370-P408 CarbonylContact C-O 3.6Å; A370-P408 WeakPolarHBondContact CA-O 3.28Å; A370-P408 WeakPolarHBondContact CB-O 3.5Å; G371-P408 PolarHBondContact N-O 2.76Å; L374-P408 HydrophobicContact CD1-CG 3.79Å; A386-P408 HydrophobicContact CB-CB 4.48Å; A386-P408 HydrophobicContact CB-CG 4.08Å; Y402-P408 HydrophobicContact CD1-CB 3.73Å; Y402-P408 HydrophobicContact CD2-CB 4.12Å; Y402-P408 HydrophobicContact CE1-CB 4.5Å; Y402-P408 HydrophobicContact CG-CB 3.52Å; P408-W410 HydrophobicContact CB-CD2 4.42Å; P408-W410 HydrophobicContact CB-CH2 4.09Å; P408-W410 HydrophobicContact CB-CZ2 3.81Å; P408-W410 HydrophobicContact CB-CZ3 4.48Å; P408-W410 HydrophobicContact CG-CE3 4.45Å; P408-W410 HydrophobicContact CG-CH2 3.34Å; P408-W410 HydrophobicContact CG-CZ2 3.49Å; P408-W410 VanDerWaalsContact CG-CZ2 3.49Å; P408-W410 HydrophobicContact CG-CZ3 3.86Å
409	K	97	Very high	94	Very high	137 Å²	137	69.9 Å²	69.9	60%	0.596	34%	0.343	S	S	*	.			trans	-134	85.1	-179.2	-67.2	-175.6	-173.3	177.9	0	111.2	I369 A370 Y402 N411	I369-K409 CarbonylContact O-C 3.56Å; A370-K409 HydrophobicContact CB-CG 4.08Å; Y402-K409 VanDerWaalsContact CD2-N 3.32Å; Y402-K409 HydrophobicContact CE2-CB 4.16Å; Y402-K409 VanDerWaalsContact CE2-N 3.31Å; K409-N411 PolarHBondContact O-ND2 2.91Å
410	W	96.5	Very high	93.1	Very high	32 Å²	32	73.4 Å²	73.4	12%	0.121	36%	0.361	C	S	.	.			trans	-73	-38.4	-178.8	-56.2	-79.5	0	0	0	113.5	V368 I369 G371 A386 V388 T399 E400 P408 S412 I480	V368-W410 HydrophobicContact CG1-CD2 4.27Å; V368-W410 HydrophobicContact CG1-CE3 3.6Å; V368-W410 HydrophobicContact CG1-CZ3 4.08Å; I369-W410 PolarHBondContact O-N 3.11Å; I369-W410 VanDerWaalsContact O-N 3.07Å; G371-W410 VanDerWaalsContact N-CZ3 3.35Å; A386-W410 HydrophobicContact CB-CH2 4.49Å; A386-W410 HydrophobicContact CB-CZ2 3.83Å; A386-W410 PolarHBondContact O-NE1 2.97Å; V388-W410 HydrophobicContact CG2-CD2 4.3Å; V388-W410 HydrophobicContact CG2-CE3 4.17Å; V388-W410 HydrophobicContact CG2-CH2 3.43Å; V388-W410 VanDerWaalsContact CG2-CH2 3.43Å; V388-W410 HydrophobicContact CG2-CZ2 3.6Å; V388-W410 HydrophobicContact CG2-CZ3 3.74Å; T399-W410 HydrophobicContact CG2-CB 4.42Å; T399-W410 HydrophobicContact CG2-CG 4.29Å; E400-W410 PolarHBondContact O-NE1 3.33Å; P408-W410 HydrophobicContact CB-CD2 4.42Å; P408-W410 HydrophobicContact CB-CH2 4.09Å; P408-W410 HydrophobicContact CB-CZ2 3.81Å; P408-W410 HydrophobicContact CB-CZ3 4.48Å; P408-W410 HydrophobicContact CG-CE3 4.45Å; P408-W410 HydrophobicContact CG-CH2 3.34Å; P408-W410 HydrophobicContact CG-CZ2 3.49Å; P408-W410 VanDerWaalsContact CG-CZ2 3.49Å; P408-W410 HydrophobicContact CG-CZ3 3.86Å; W410-S412 PolarHBondContact O-N 2.9Å; W410-S412 VanDerWaalsContact O-N 3.12Å; W410-I480 HydrophobicContact CZ3-CD1 4.43Å; W410-I480 HydrophobicContact CZ3-CG1 4.38Å
411	N	95.2	Very high	92.2	Very high	85 Å²	85	66.2 Å²	66.2	46%	0.455	33%	0.328	S	S	.	.			trans	47.1	35.9	-175.1	-59.6	-71.5	0	0	0	114.3	R367 V368 I369 K409	R367-N411 PolarHBondContact NH2-O 3.11Å; V368-N411 CarbonylContact O-C 3.53Å; V368-N411 PolarHBondContact O-N 2.75Å; I369-N411 PolarHBondContact O-N 3.05Å; K409-N411 PolarHBondContact O-ND2 2.91Å
412	S	96	Very high	91.4	Very high	15 Å²	15	63.6 Å²	63.6	11%	0.105	32%	0.318	C	S	.	.			trans	-50.2	162.3	-164.3	77.3	0	0	0	0	114	R367 V368 W410 F415	R367-S412 WeakPolarHBondContact CD-O 3.44Å; R367-S412 WeakPolarHBondContact CG-O 3.48Å; R367-S412 PolarHBondContact NE-O 3.44Å; R367-S412 PolarHBondContact NH2-O 3.34Å; V368-S412 PolarHBondContact N-OG 3.06Å; V368-S412 PolarHBondContact O-N 3.07Å; W410-S412 PolarHBondContact O-N 2.9Å; W410-S412 VanDerWaalsContact O-N 3.12Å; S412-F415 WeakPolarHBondContact OG-CE2 3.37Å
413	D	95.4	Very high	91	Very high	136 Å²	136	61.4 Å²	61.4	73%	0.727	31%	0.314	S	S	*	.			trans	-65.6	175.1	160.3	-70.8	-50.7	0	0	0	111.9	F415	D413-F415 PolarHBondContact O-N 2.98Å
414	W	95	Very high	90.6	Very high	78 Å²	78	57.8 Å²	57.8	30%	0.295	29%	0.29	S	S	.	.			trans	-76.6	113.3	176.8	-68.8	98	0	0	0	110.6	Q365 R367 L416 I483 R485	Q365-W414 HydrophobicContact CB-CD2 4.37Å; Q365-W414 HydrophobicContact CB-CE3 3.58Å; Q365-W414 HydrophobicContact CB-CZ3 4.03Å; R367-W414 HydrophobicContact CB-CD2 4.05Å; R367-W414 HydrophobicContact CB-CE3 3.74Å; R367-W414 HydrophobicContact CB-CH2 4.11Å; R367-W414 HydrophobicContact CB-CZ2 4.39Å; R367-W414 HydrophobicContact CB-CZ3 3.79Å; W414-L416 HydrophobicContact CB-CD2 4.24Å; W414-L416 PolarHBondContact O-N 2.9Å; W414-I483 HydrophobicContact CH2-CB 4.16Å; W414-I483 HydrophobicContact CH2-CG2 3.71Å; W414-I483 HydrophobicContact CZ3-CB 4.46Å; W414-I483 HydrophobicContact CZ3-CG2 4.19Å; W414-R485 HydrophobicContact CH2-CG 3.99Å; W414-R485 HydrophobicContact CZ3-CB 4.46Å; W414-R485 HydrophobicContact CZ3-CG 4.11Å
415	F	96	Very high	90.2	Very high	29 Å²	29	52.3 Å²	52.3	13%	0.127	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	122.9	163	-55.7	-67.8	0	0	0	108.3	Q365 V366 V368 V390 Y397 T399 S412 D413 F417	Q365-F415 CarbonylContact C-O 3.48Å; Q365-F415 WeakPolarHBondContact CA-O 3.45Å; V366-F415 HydrophobicContact CB-CB 4.43Å; V366-F415 PolarHBondContact N-O 3.33Å; V366-F415 WeakPolarHBondContact O-CD2 3.42Å; V366-F415 PolarHBondContact O-N 3.44Å; V368-F415 HydrophobicContact CG2-CE2 4.21Å; V390-F415 HydrophobicContact CB-CD2 4.27Å; V390-F415 HydrophobicContact CG1-CD2 4.4Å; V390-F415 HydrophobicContact CG2-CD2 3.79Å; V390-F415 HydrophobicContact CG2-CE2 3.76Å; V390-F415 HydrophobicContact CG2-CZ 4.46Å; Y397-F415 HydrophobicContact CD1-CD1 4.35Å; Y397-F415 HydrophobicContact CD2-CB 3.88Å; Y397-F415 HydrophobicContact CD2-CD1 4.08Å; Y397-F415 HydrophobicContact CD2-CG 4.33Å; Y397-F415 HydrophobicContact CE2-CB 4.5Å; Y397-F415 HydrophobicContact CG-CB 4.37Å; Y397-F415 AromaticContact CG-CD1 3.69Å; Y397-F415 HydrophobicContact CG-CD1 3.69Å; Y397-F415 HydrophobicContact CG-CE1 4.43Å; Y397-F415 HydrophobicContact CG-CG 4.36Å; T399-F415 HydrophobicContact CG2-CE2 4.14Å; T399-F415 HydrophobicContact CG2-CZ 4.04Å; S412-F415 WeakPolarHBondContact OG-CE2 3.37Å; D413-F415 PolarHBondContact O-N 2.98Å; F415-F417 HydrophobicContact CB-CE2 4.07Å
416	L	93	Very high	90	Very high	87 Å²	87	51.8 Å²	51.8	46%	0.455	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	128	-177.9	-60.2	178.1	0	0	0	109.4	Q365 Y397 W414	Q365-L416 HydrophobicContact CB-CD2 3.87Å; Q365-L416 HydrophobicContact CG-CD2 3.63Å; Y397-L416 WeakPolarHBondContact CE2-O 3.4Å; Y397-L416 PolarHBondContact OH-O 3.19Å; W414-L416 HydrophobicContact CB-CD2 4.24Å; W414-L416 PolarHBondContact O-N 2.9Å
417	F	91.3	Very high	89.8	Confident	4 Å²	4	51 Å²	51	2%	0.018	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	121	173.3	-57.2	-92	0	0	0	109.1	L364 V366 V390 F392 T395 Y397 F415 L429	L364-F417 HydrophobicContact CB-CB 4.2Å; L364-F417 HydrophobicContact CD2-CB 4.41Å; L364-F417 HydrophobicContact CD2-CD2 4.22Å; L364-F417 HydrophobicContact CG-CD2 4.38Å; L364-F417 PolarHBondContact N-O 2.95Å; L364-F417 PolarHBondContact O-N 2.98Å; V366-F417 HydrophobicContact CB-CE2 4.37Å; V366-F417 HydrophobicContact CG2-CD2 4.18Å; V366-F417 HydrophobicContact CG2-CE2 3.91Å; V390-F417 HydrophobicContact CB-CZ 4.4Å; V390-F417 HydrophobicContact CG1-CE2 3.9Å; V390-F417 HydrophobicContact CG1-CZ 3.82Å; F392-F417 HydrophobicContact CB-CB 4.49Å; F392-F417 HydrophobicContact CB-CD1 3.68Å; F392-F417 HydrophobicContact CB-CD2 4.31Å; F392-F417 HydrophobicContact CB-CE1 3.83Å; F392-F417 HydrophobicContact CB-CE2 4.45Å; F392-F417 HydrophobicContact CB-CG 3.92Å; F392-F417 HydrophobicContact CB-CZ 4.2Å; F392-F417 HydrophobicContact CD1-CB 4.21Å; T395-F417 HydrophobicContact CG2-CD1 3.82Å; T395-F417 HydrophobicContact CG2-CE1 3.84Å; Y397-F417 HydrophobicContact CD2-CD1 4.35Å; Y397-F417 AromaticContact CD2-CE1 3.63Å; Y397-F417 HydrophobicContact CD2-CE1 3.63Å; Y397-F417 HydrophobicContact CD2-CE2 4.2Å; Y397-F417 AromaticContact CD2-CZ 3.55Å; Y397-F417 HydrophobicContact CD2-CZ 3.55Å; Y397-F417 AromaticContact CE2-CD1 3.98Å; Y397-F417 HydrophobicContact CE2-CD1 3.98Å; Y397-F417 AromaticContact CE2-CE1 3.71Å; Y397-F417 HydrophobicContact CE2-CE1 3.71Å; Y397-F417 HydrophobicContact CE2-CE2 4.46Å; Y397-F417 HydrophobicContact CE2-CG 4.49Å; Y397-F417 AromaticContact CE2-CZ 3.98Å; Y397-F417 HydrophobicContact CE2-CZ 3.98Å; F415-F417 HydrophobicContact CB-CE2 4.07Å; F417-L429 HydrophobicContact CE2-CD1 4.47Å
418	E	85.2	Confident	89.5	Confident	135 Å²	135	47.2 Å²	47.2	63%	0.631	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87.1	133.8	166.8	-67.6	173	169	0	0	107.9	M360 T363	M360-E418 HydrophobicContact CE-CG 4.02Å; M360-E418 WeakPolarHBondContact CE-OE1 3.41Å; M360-E418 HydrophobicContact SD-CB 3.92Å; M360-E418 VanDerWaalsContact SD-CD 3.6Å; M360-E418 HydrophobicContact SD-CG 3.9Å; T363-E418 HydrophobicContact CG2-CG 4.09Å
419	A	80.5	Confident	89.5	Confident	12 Å²	12	47.2 Å²	47.2	10%	0.099	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	149.7	-173.7	0	0	0	0	0	111.7	P361 F392 T423 L424	P361-A419 WeakPolarHBondContact CD-O 3.36Å; F392-A419 HydrophobicContact CD1-CB 4.41Å; F392-A419 HydrophobicContact CE1-CB 3.77Å; A419-T423 HydrophobicContact CB-CG2 4.38Å; A419-L424 HydrophobicContact CB-CD2 3.97Å; A419-L424 HydrophobicContact CB-CG 3.91Å
420	D	78.5	Confident	89.4	Confident	87 Å²	87	41.1 Å²	41.1	47%	0.465	21%	0.211	S	C	.	.			trans	-79.5	164.8	168	71.5	9.3	0	0	0	111.7	A422 T423 L424	D420-A422 VanDerWaalsContact C-N 3.26Å; D420-A422 PolarHBondContact O-N 3.15Å; D420-T423 PolarHBondContact O-N 2.95Å; D420-T423 VanDerWaalsContact O-N 3.15Å; D420-T423 WeakPolarHBondContact OD1-CB 3.44Å; D420-T423 PolarHBondContact OD1-N 2.95Å; D420-T423 PolarHBondContact OD1-OG1 2.96Å; D420-L424 WeakPolarHBondContact O-CG 3.49Å; D420-L424 PolarHBondContact O-N 3.32Å
421	D	75.7	Confident	89.5	Confident	21 Å²	21	39.6 Å²	39.6	11%	0.112	21%	0.205	C	C	.	.	H	α-helix	trans	-65.3	-34.5	-173.6	-125	-4.3	0	0	0	111.1	P361 L424 Q425 S498 C500	P361-D421 HydrophobicContact CB-CB 4.18Å; P361-D421 HydrophobicContact CG-CB 3.87Å; D421-L424 PolarHBondContact O-N 3.15Å; D421-Q425 WeakPolarHBondContact O-CG 3.42Å; D421-Q425 PolarHBondContact O-N 2.88Å; D421-Q425 VanDerWaalsContact O-N 3.13Å; D421-S498 WeakPolarHBondContact OD2-CB 3.3Å; D421-S498 PolarHBondContact OD2-OG 2.9Å; D421-C500 PolarHBondContact OD1-SG 3.01Å
422	A	80.1	Confident	89.5	Confident	20 Å²	20	38.3 Å²	38.3	17%	0.165	19%	0.194	C	C	.	.	H	α-helix	trans	-62.7	-44.6	173.8	0	0	0	0	0	111.4	D420 Q425 D426	D420-A422 VanDerWaalsContact C-N 3.26Å; D420-A422 PolarHBondContact O-N 3.15Å; A422-Q425 PolarHBondContact O-N 3.48Å; A422-D426 WeakPolarHBondContact O-CB 3.32Å; A422-D426 PolarHBondContact O-N 3.25Å
423	T	85.6	Confident	89.5	Confident	41 Å²	41	37.6 Å²	37.6	25%	0.252	19%	0.189	S	C	.	.	H	α-helix	trans	-69.3	-40.1	177.1	-57	0	0	0	0	111.4	F392 A419 D420 Q425 D426 E427	F392-T423 HydrophobicContact CE1-CG2 3.82Å; F392-T423 HydrophobicContact CZ-CG2 4.07Å; F392-T423 WeakPolarHBondContact CZ-O 3.47Å; A419-T423 HydrophobicContact CB-CG2 4.38Å; D420-T423 PolarHBondContact O-N 2.95Å; D420-T423 VanDerWaalsContact O-N 3.15Å; D420-T423 WeakPolarHBondContact OD1-CB 3.44Å; D420-T423 PolarHBondContact OD1-N 2.95Å; D420-T423 PolarHBondContact OD1-OG1 2.96Å; T423-Q425 PolarHBondContact O-N 3.18Å; T423-D426 PolarHBondContact O-N 2.85Å; T423-E427 HydrophobicContact CG2-CB 4.17Å; T423-E427 HydrophobicContact CG2-CG 3.9Å; T423-E427 WeakPolarHBondContact O-CB 3.3Å; T423-E427 PolarHBondContact O-N 3.16Å
424	L	85.6	Confident	89.5	Confident	2 Å²	2	31.5 Å²	31.5	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-61	-27.3	175.3	-73.2	173.2	0	0	0	113.4	F392 A419 D420 D421 L452 L456 L486 L488	F392-L424 HydrophobicContact CE1-CD2 4.12Å; F392-L424 HydrophobicContact CZ-CD2 4.22Å; A419-L424 HydrophobicContact CB-CD2 3.97Å; A419-L424 HydrophobicContact CB-CG 3.91Å; D420-L424 WeakPolarHBondContact O-CG 3.49Å; D420-L424 PolarHBondContact O-N 3.32Å; D421-L424 PolarHBondContact O-N 3.15Å; L424-L452 HydrophobicContact CD2-CD1 4Å; L424-L456 HydrophobicContact CB-CD2 4.33Å; L424-L486 HydrophobicContact CD1-CD1 4.35Å; L424-L486 HydrophobicContact CD2-CD1 3.76Å; L424-L488 HydrophobicContact CD1-CD2 4.07Å
425	Q	85.4	Confident	89.5	Confident	21 Å²	21	28.1 Å²	28.1	10%	0.098	14%	0.144	C	C	.	.	H	α-helix	trans	-95	-37.7	175.7	-68.3	-160.7	-67.3	0	0	114.5	D421 A422 T423 L456 S498 S499 G559 R563	D421-Q425 WeakPolarHBondContact O-CG 3.42Å; D421-Q425 PolarHBondContact O-N 2.88Å; D421-Q425 VanDerWaalsContact O-N 3.13Å; A422-Q425 PolarHBondContact O-N 3.48Å; T423-Q425 PolarHBondContact O-N 3.18Å; Q425-L456 HydrophobicContact CG-CD1 3.76Å; Q425-S498 VanDerWaalsContact OE1-CA 3.31Å; Q425-S499 PolarHBondContact NE2-OG 3.2Å; Q425-G559 CarbonylContact O-C 3.57Å; Q425-G559 WeakPolarHBondContact O-CA 3.35Å; Q425-R563 HydrophobicContact CB-CB 4.27Å; Q425-R563 VanDerWaalsContact OE1-CG 3.27Å
426	D	89.1	Confident	89.4	Confident	12 Å²	12	30.9 Å²	30.9	6%	0.064	15%	0.154	C	C	.	.	H	α-helix	trans	-82.2	-36.9	-175.3	-73.2	3.4	0	0	0	112.5	A422 T423 K556 Q560 R563	A422-D426 WeakPolarHBondContact O-CB 3.32Å; A422-D426 PolarHBondContact O-N 3.25Å; T423-D426 PolarHBondContact O-N 2.85Å; D426-K556 WeakPolarHBondContact O-CA 3.46Å; D426-Q560 HydrophobicContact CB-CG 3.86Å; D426-Q560 WeakPolarHBondContact OD1-CG 3.46Å; D426-Q560 WeakPolarHBondContact OD2-CG 3.31Å; D426-Q560 PolarHBondContact OD2-NE2 3.24Å; D426-R563 IonicContact OD1-CZ 3.87Å; D426-R563 IonicContact OD1-NE 2.7Å; D426-R563 PolarHBondContact OD1-NE 2.95Å; D426-R563 IonicContact OD1-NH2 2.89Å; D426-R563 PolarHBondContact OD1-NH2 2.91Å; D426-R563 IonicContact OD2-CZ 2.72Å; D426-R563 IonicContact OD2-NE 3.8Å; D426-R563 IonicContact OD2-NH2 2.76Å; D426-R563 PolarHBondContact OD2-NH2 2.9Å
427	E	90.4	Very high	89.3	Confident	30 Å²	30	29.4 Å²	29.4	14%	0.14	15%	0.147	C	C	.	.			trans	-95.4	157.1	-175.5	-69.4	-69.8	170.2	0	0	113	F392 T423 K556	F392-E427 HydrophobicContact CD2-CB 4.32Å; F392-E427 HydrophobicContact CE2-CB 3.66Å; F392-E427 HydrophobicContact CZ-CB 3.96Å; T423-E427 HydrophobicContact CG2-CB 4.17Å; T423-E427 HydrophobicContact CG2-CG 3.9Å; T423-E427 WeakPolarHBondContact O-CB 3.3Å; T423-E427 PolarHBondContact O-N 3.16Å; E427-K556 WeakPolarHBondContact OE1-CD 3.26Å; E427-K556 VanDerWaalsContact OE1-CE 3.32Å; E427-K556 WeakPolarHBondContact OE1-CE 3.36Å; E427-K556 IonicContact OE1-NZ 3.67Å; E427-K556 PolarHBondContact OE1-NZ 3Å
428	C	92.3	Very high	89.1	Confident	8 Å²	8	33.3 Å²	33.3	5%	0.054	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	147.7	171.6	59.6	0	0	0	0	110.7	Q430 A555	C428-Q430 PolarHBondContact O-N 2.89Å; C428-A555 HydrophobicContact CB-CB 4.29Å; C428-A555 VanDerWaalsContact SG-CB 3.5Å
429	L	95.1	Very high	88.9	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	123.2	172	172.8	64.4	0	0	0	109.1	V366 V390 F392 F417 Y449 I450 L452 V484	V366-L429 HydrophobicContact CB-CD2 4.5Å; V366-L429 HydrophobicContact CG1-CD2 4.03Å; V366-L429 HydrophobicContact CG2-CD1 3.87Å; V366-L429 HydrophobicContact CG2-CD2 3.6Å; V366-L429 HydrophobicContact CG2-CG 4.41Å; V390-L429 HydrophobicContact CG1-CD1 3.97Å; F392-L429 HydrophobicContact CB-CD1 4.4Å; F392-L429 HydrophobicContact CD2-CB 4.4Å; F417-L429 HydrophobicContact CE2-CD1 4.47Å; L429-Y449 WeakPolarHBondContact O-CA 3.43Å; L429-I450 HydrophobicContact CB-CB 4.28Å; L429-I450 HydrophobicContact CD2-CD1 4.47Å; L429-I450 PolarHBondContact N-O 3.45Å; L429-I450 PolarHBondContact O-N 2.81Å; L429-L452 HydrophobicContact CB-CD2 4.28Å; L429-V484 HydrophobicContact CD2-CB 4.42Å; L429-V484 HydrophobicContact CD2-CG1 3.95Å; L429-V484 HydrophobicContact CD2-CG2 3.54Å
430	Q	95.7	Very high	89.1	Confident	8 Å²	8	40.7 Å²	40.7	4%	0.037	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	125.2	-177.9	-71.3	167.3	55.2	0	0	109.5	K391 C428 Y449	K391-Q430 HydrophobicContact CB-CB 4.13Å; K391-Q430 PolarHBondContact N-O 2.85Å; K391-Q430 PolarHBondContact O-N 2.85Å; C428-Q430 PolarHBondContact O-N 2.89Å; Q430-Y449 HydrophobicContact CG-CD1 3.71Å; Q430-Y449 HydrophobicContact CG-CE1 3.77Å
431	L	97.3	Very high	89.5	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	117.7	175	-63.4	153.8	0	0	0	107.2	V366 V368 V388 E389 V390 R447 V448 I450 V482	V366-L431 HydrophobicContact CG1-CD2 4.4Å; V368-L431 HydrophobicContact CG2-CD2 4.23Å; V388-L431 HydrophobicContact CG1-CB 4.43Å; V388-L431 HydrophobicContact CG1-CD2 4.34Å; E389-L431 CarbonylContact O-C 3.36Å; E389-L431 WeakPolarHBondContact O-CA 3.35Å; V390-L431 HydrophobicContact CB-CD2 4.39Å; V390-L431 HydrophobicContact CG1-CD2 3.94Å; V390-L431 HydrophobicContact CG2-CD2 3.98Å; L431-R447 CarbonylContact O-C 3.5Å; L431-R447 VanDerWaalsContact O-CA 3.23Å; L431-R447 WeakPolarHBondContact O-CA 3.05Å; L431-V448 HydrophobicContact CB-CB 4.21Å; L431-V448 HydrophobicContact CD1-CB 4.25Å; L431-V448 HydrophobicContact CD1-CG1 4.44Å; L431-V448 PolarHBondContact N-O 2.86Å; L431-V448 PolarHBondContact O-N 3.44Å; L431-I450 HydrophobicContact CD1-CD1 3.71Å; L431-I450 HydrophobicContact CD1-CG1 4.38Å; L431-V482 HydrophobicContact CD1-CB 4.48Å; L431-V482 HydrophobicContact CD1-CG1 4.26Å; L431-V482 HydrophobicContact CD1-CG2 3.92Å
432	R	96.1	Very high	90.1	Very high	58 Å²	58	42.4 Å²	42.4	22%	0.219	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	116.7	-180	-169.2	177.7	-161.8	-138.2	9.1	109.7	V388 E389 M434 R447 E548	V388-R432 CarbonylContact C-O 3.58Å; V388-R432 WeakPolarHBondContact CA-O 3.5Å; E389-R432 HydrophobicContact CB-CB 4.22Å; E389-R432 PolarHBondContact N-O 2.94Å; E389-R432 PolarHBondContact O-N 3.2Å; E389-R432 IonicContact OE2-NH1 2.55Å; R432-M434 HydrophobicContact CG-CG 4.24Å; R432-M434 HydrophobicContact CG-SD 3.77Å; R432-M434 PolarHBondContact NH1-SD 3.36Å; R432-M434 VanDerWaalsContact NH1-SD 3.44Å; R432-R447 HydrophobicContact CB-CG 4.1Å; R432-R447 HydrophobicContact CG-CG 3.82Å; R432-E548 IonicContact CZ-OE1 3.67Å; R432-E548 IonicContact CZ-OE2 2.79Å; R432-E548 IonicContact NE-OE1 2.66Å; R432-E548 PolarHBondContact NE-OE1 3.35Å; R432-E548 IonicContact NE-OE2 3.09Å; R432-E548 IonicContact NH2-OE1 3.66Å; R432-E548 PolarHBondContact NH2-OE1 3.29Å; R432-E548 IonicContact NH2-OE2 2.84Å; R432-E548 PolarHBondContact NH2-OE2 3.07Å
433	V	97.1	Very high	90.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	127	176.2	-173.4	0	0	0	0	108.1	L374 V388 V445 G446 I469 I480	L374-V433 HydrophobicContact CD1-CG1 4.49Å; L374-V433 HydrophobicContact CD2-CG1 4.47Å; V388-V433 HydrophobicContact CG2-CG2 4.28Å; V433-V445 HydrophobicContact CB-CB 4.12Å; V433-V445 HydrophobicContact CG1-CB 4Å; V433-V445 HydrophobicContact CG1-CG1 4.31Å; V433-V445 HydrophobicContact CG1-CG2 4.21Å; V433-V445 WeakPolarHBondContact O-CB 3.28Å; V433-V445 PolarHBondContact O-N 2.84Å; V433-G446 PolarHBondContact N-O 3.37Å; V433-G446 PolarHBondContact O-N 3.08Å; V433-I469 HydrophobicContact CB-CD1 4.46Å; V433-I469 HydrophobicContact CG2-CD1 3.84Å; V433-I469 HydrophobicContact CG2-CG1 4.12Å; V433-I469 HydrophobicContact CG2-CG2 4.39Å; V433-I480 HydrophobicContact CG2-CD1 4.12Å
434	M	95.3	Very high	90.9	Very high	9 Å²	9	43.5 Å²	43.5	4%	0.044	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	143.2	-173.3	-64.7	-61.4	-56.1	0	0	109.3	A386 F387 E389 R432 N442 A444	A386-M434 WeakPolarHBondContact CA-O 3.39Å; F387-M434 HydrophobicContact CD1-CB 3.84Å; F387-M434 HydrophobicContact CD2-CB 4.37Å; F387-M434 HydrophobicContact CE1-CB 3.33Å; F387-M434 HydrophobicContact CE1-CG 4.32Å; F387-M434 HydrophobicContact CE2-CB 3.91Å; F387-M434 HydrophobicContact CE2-CG 4.16Å; F387-M434 HydrophobicContact CG-CB 4.33Å; F387-M434 HydrophobicContact CZ-CB 3.36Å; F387-M434 HydrophobicContact CZ-CG 3.86Å; F387-M434 PolarHBondContact N-O 3.12Å; F387-M434 PolarHBondContact O-N 3.03Å; E389-M434 HydrophobicContact CG-CG 4.03Å; R432-M434 HydrophobicContact CG-CG 4.24Å; R432-M434 HydrophobicContact CG-SD 3.77Å; R432-M434 PolarHBondContact NH1-SD 3.36Å; R432-M434 VanDerWaalsContact NH1-SD 3.44Å; M434-N442 HydrophobicContact CE-CB 3.94Å; M434-N442 WeakPolarHBondContact CE-O 3.5Å; M434-A444 HydrophobicContact CE-CB 4.15Å; M434-A444 HydrophobicContact SD-CB 3.84Å
435	D	94.6	Very high	91.2	Very high	7 Å²	7	43.4 Å²	43.4	4%	0.037	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	137.6	165.6	-164.8	32.6	0	0	0	109.1	M377 T384 D385 N442 D443 V445	M377-D435 HydrophobicContact CB-CB 4.02Å; M377-D435 WeakPolarHBondContact CB-OD2 3.48Å; M377-D435 HydrophobicContact CG-CB 4.2Å; T384-D435 WeakPolarHBondContact CA-OD1 3.42Å; T384-D435 HydrophobicContact CG2-CB 4.08Å; T384-D435 WeakPolarHBondContact CG2-OD1 3.34Å; D385-D435 PolarHBondContact N-OD1 2.83Å; D435-N442 CarbonylContact O-C 3.57Å; D435-N442 VanDerWaalsContact O-CA 3.26Å; D435-N442 WeakPolarHBondContact O-CA 3.35Å; D435-N442 WeakPolarHBondContact O-CB 3.43Å; D435-D443 HydrophobicContact CB-CB 4.44Å; D435-D443 PolarHBondContact N-O 3.12Å; D435-D443 PolarHBondContact O-N 2.57Å; D435-V445 HydrophobicContact CB-CG2 4.45Å
436	Y	93.5	Very high	91.7	Very high	87 Å²	87	42.5 Å²	42.5	34%	0.341	22%	0.223	S	C	.	.			trans	-94.1	119	179.9	177.6	-99.3	0	0	0	111.2	D385 F387 I401	D385-Y436 VanDerWaalsContact O-CB 3.27Å; D385-Y436 WeakPolarHBondContact O-CB 3.2Å; D385-Y436 PolarHBondContact O-N 3.41Å; F387-Y436 HydrophobicContact CE1-CD2 4.47Å; I401-Y436 HydrophobicContact CD1-CD1 3.89Å; I401-Y436 HydrophobicContact CD1-CD2 3.48Å; I401-Y436 VanDerWaalsContact CD1-CD2 3.48Å; I401-Y436 HydrophobicContact CD1-CE1 4.19Å; I401-Y436 HydrophobicContact CD1-CE2 3.82Å; I401-Y436 HydrophobicContact CD1-CG 3.53Å; I401-Y436 HydrophobicContact CG1-CD2 4.21Å; I401-Y436 HydrophobicContact CG1-CG 4.06Å; I401-Y436 HydrophobicContact CG2-CD1 4.35Å; I401-Y436 HydrophobicContact CG2-CG 4.17Å
437	D	90.9	Very high	91.9	Very high	55 Å²	55	43.8 Å²	43.8	29%	0.294	23%	0.227	S	C	.	.			trans	-109.4	130.8	-178.5	-130.4	-27.3	0	0	0	110.2	S440 N442	D437-S440 PolarHBondContact OD1-OG 3.04Å; D437-S440 VanDerWaalsContact OD1-OG 3.11Å; D437-S440 WeakPolarHBondContact OD2-CB 3.45Å; D437-S440 PolarHBondContact OD2-OG 3.17Å; D437-N442 PolarHBondContact N-OD1 3.27Å; D437-N442 PolarHBondContact O-OD1 2.91Å
438	T	86.3	Confident	92.2	Very high	87 Å²	87	42.8 Å²	42.8	53%	0.534	22%	0.223	S	C	.	.	S	Bend	trans	-80.9	-28.8	-177.9	-58.9	0	0	0	0	112.5
439	Y	81.8	Confident	92.2	Very high	225 Å²	225	45.2 Å²	45.2	88%	0.882	23%	0.232	S	C	*	.	S	Bend	trans	-126.2	-12	-173.3	-57.8	-69.5	0	0	0	114.2
440	S	85.6	Confident	92.1	Very high	77 Å²	77	45.6 Å²	45.6	54%	0.538	23%	0.234	S	C	.	.	S	Bend	trans	-111.8	-173.6	174.8	-1.7	0	0	0	0	110.8	D437	D437-S440 PolarHBondContact OD1-OG 3.04Å; D437-S440 VanDerWaalsContact OD1-OG 3.11Å; D437-S440 WeakPolarHBondContact OD2-CB 3.45Å; D437-S440 PolarHBondContact OD2-OG 3.17Å
441	A	85.6	Confident	91.7	Very high	88 Å²	88	47.1 Å²	47.1	73%	0.727	25%	0.252	S	S	*	.			trans	-92.7	119.5	173.1	0	0	0	0	0	110.1	D443	A441-D443 PolarHBondContact O-N 3.09Å
442	N	89.6	Confident	91.2	Very high	56 Å²	56	47.3 Å²	47.3	30%	0.299	25%	0.253	S	S	.	.			trans	-32	119.7	177.7	-66.2	4.2	0	0	0	113.9	F387 M434 D435 D437	F387-N442 HydrophobicContact CE1-CB 4.38Å; F387-N442 WeakPolarHBondContact CE1-ND2 3.39Å; F387-N442 WeakPolarHBondContact CZ-ND2 3.35Å; M434-N442 HydrophobicContact CE-CB 3.94Å; M434-N442 WeakPolarHBondContact CE-O 3.5Å; D435-N442 CarbonylContact O-C 3.57Å; D435-N442 VanDerWaalsContact O-CA 3.26Å; D435-N442 WeakPolarHBondContact O-CA 3.35Å; D435-N442 WeakPolarHBondContact O-CB 3.43Å; D437-N442 PolarHBondContact N-OD1 3.27Å; D437-N442 PolarHBondContact O-OD1 2.91Å
443	D	89.7	Confident	90.4	Very high	78 Å²	78	47 Å²	47	42%	0.417	26%	0.259	S	S	.	.			trans	-88.5	141.2	-171.6	-145	-14.7	0	0	0	111.7	M377 D435 A441 V445 R544	M377-D443 HydrophobicContact CE-CB 3.81Å; D435-D443 HydrophobicContact CB-CB 4.44Å; D435-D443 PolarHBondContact N-O 3.12Å; D435-D443 PolarHBondContact O-N 2.57Å; A441-D443 PolarHBondContact O-N 3.09Å; D443-V445 PolarHBondContact O-N 2.85Å; D443-R544 IonicContact OD1-NH1 2.84Å
444	A	91.3	Very high	89.4	Confident	5 Å²	5	50.7 Å²	50.7	4%	0.041	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	118.5	-174.4	0	0	0	0	0	111.2	M434 R544	M434-A444 HydrophobicContact CE-CB 4.15Å; M434-A444 HydrophobicContact SD-CB 3.84Å; A444-R544 VanDerWaalsContact O-CZ 3.27Å; A444-R544 PolarHBondContact O-NH1 2.72Å; A444-R544 VanDerWaalsContact O-NH1 3.15Å; A444-R544 PolarHBondContact O-NH2 2.79Å
445	V	93.7	Very high	88.6	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.006	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	-42.9	174.8	-177.8	0	0	0	0	110.3	L374 P375 M377 T384 V433 D435 D443 R477	L374-V445 HydrophobicContact CD2-CG1 4.49Å; P375-V445 HydrophobicContact CG-CG1 3.79Å; M377-V445 HydrophobicContact CG-CG2 4Å; M377-V445 HydrophobicContact SD-CG2 4.34Å; T384-V445 HydrophobicContact CG2-CG2 4.32Å; V433-V445 HydrophobicContact CB-CB 4.12Å; V433-V445 HydrophobicContact CG1-CB 4Å; V433-V445 HydrophobicContact CG1-CG1 4.31Å; V433-V445 HydrophobicContact CG1-CG2 4.21Å; V433-V445 WeakPolarHBondContact O-CB 3.28Å; V433-V445 PolarHBondContact O-N 2.84Å; D435-V445 HydrophobicContact CB-CG2 4.45Å; D443-V445 PolarHBondContact O-N 2.85Å; V445-R477 HydrophobicContact CG1-CB 4.19Å; V445-R477 WeakPolarHBondContact O-CG 3.4Å
446	G	94.3	Very high	87.7	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.01	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.7	-172.2	175.2	0	0	0	0	0	113.3	V433 Y470	V433-G446 PolarHBondContact N-O 3.37Å; V433-G446 PolarHBondContact O-N 3.08Å; G446-Y470 CarbonylContact C-O 3.59Å; G446-Y470 WeakPolarHBondContact CA-O 3.38Å
447	R	94.6	Very high	86.2	Confident	39 Å²	39	48.4 Å²	48.4	15%	0.147	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	156.6	-178.6	-68.3	-176.6	-171.9	-142.7	10.5	113	L431 R432 Y449 Y470 E548	L431-R447 CarbonylContact O-C 3.5Å; L431-R447 VanDerWaalsContact O-CA 3.23Å; L431-R447 WeakPolarHBondContact O-CA 3.05Å; R432-R447 HydrophobicContact CB-CG 4.1Å; R432-R447 HydrophobicContact CG-CG 3.82Å; R447-Y449 HydrophobicContact CB-CD2 4.33Å; R447-Y449 HydrophobicContact CB-CE2 3.8Å; R447-Y449 VanDerWaalsContact CD-OH 3.25Å; R447-Y449 WeakPolarHBondContact CD-OH 3.39Å; R447-Y470 PolarHBondContact N-O 2.71Å; R447-Y470 PolarHBondContact O-N 2.66Å; R447-E548 IonicContact CZ-OE1 3.12Å; R447-E548 IonicContact CZ-OE2 3.33Å; R447-E548 IonicContact NE-OE1 2.69Å; R447-E548 PolarHBondContact NE-OE1 3.08Å; R447-E548 IonicContact NE-OE2 3.63Å; R447-E548 IonicContact NH2-OE1 2.68Å; R447-E548 PolarHBondContact NH2-OE1 3.18Å; R447-E548 IonicContact NH2-OE2 3.82Å; R447-E548 PolarHBondContact NH2-OE2 3.24Å
448	V	95.5	Very high	84.6	Confident	9 Å²	9	49.1 Å²	49.1	6%	0.055	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	137.3	160.9	-176.5	0	0	0	0	108.1	L431 I450 F467 I469 I480	L431-V448 HydrophobicContact CB-CB 4.21Å; L431-V448 HydrophobicContact CD1-CB 4.25Å; L431-V448 HydrophobicContact CD1-CG1 4.44Å; L431-V448 PolarHBondContact N-O 2.86Å; L431-V448 PolarHBondContact O-N 3.44Å; V448-I450 HydrophobicContact CG1-CD1 4.4Å; V448-I450 HydrophobicContact CG1-CG1 3.94Å; V448-F467 HydrophobicContact CG1-CB 3.66Å; V448-F467 HydrophobicContact CG1-CD1 4.26Å; V448-F467 HydrophobicContact CG1-CG 4.12Å; V448-F467 HydrophobicContact CG2-CB 4.2Å; V448-I469 HydrophobicContact CG2-CG1 4.24Å; V448-I480 HydrophobicContact CG2-CG2 3.67Å
449	Y	93	Very high	83	Confident	59 Å²	59	52 Å²	52	23%	0.231	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	121.7	174.6	-64.6	-95.9	0	0	0	108.4	L429 Q430 R447 E548 Q551 T552	L429-Y449 WeakPolarHBondContact O-CA 3.43Å; Q430-Y449 HydrophobicContact CG-CD1 3.71Å; Q430-Y449 HydrophobicContact CG-CE1 3.77Å; R447-Y449 HydrophobicContact CB-CD2 4.33Å; R447-Y449 HydrophobicContact CB-CE2 3.8Å; R447-Y449 VanDerWaalsContact CD-OH 3.25Å; R447-Y449 WeakPolarHBondContact CD-OH 3.39Å; Y449-E548 PolarHBondContact OH-O 3.13Å; Y449-Q551 HydrophobicContact CE2-CB 4.15Å; Y449-T552 PolarHBondContact OH-OG1 3.21Å
450	I	92.5	Very high	81.7	Confident	8 Å²	8	43 Å²	43	4%	0.041	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	115.7	180	-56	179.9	0	0	0	108.7	L429 L431 V448 F467 V484	L429-I450 HydrophobicContact CB-CB 4.28Å; L429-I450 HydrophobicContact CD2-CD1 4.47Å; L429-I450 PolarHBondContact N-O 3.45Å; L429-I450 PolarHBondContact O-N 2.81Å; L431-I450 HydrophobicContact CD1-CD1 3.71Å; L431-I450 HydrophobicContact CD1-CG1 4.38Å; V448-I450 HydrophobicContact CG1-CD1 4.4Å; V448-I450 HydrophobicContact CG1-CG1 3.94Å; I450-F467 HydrophobicContact CD1-CD1 4.28Å; I450-F467 HydrophobicContact CD1-CD2 4.23Å; I450-F467 HydrophobicContact CD1-CE1 4.09Å; I450-F467 HydrophobicContact CD1-CE2 4.04Å; I450-F467 HydrophobicContact CD1-CG 4.36Å; I450-F467 HydrophobicContact CD1-CZ 3.98Å; I450-F467 HydrophobicContact CG1-CD1 4.39Å; I450-F467 HydrophobicContact CG1-CE1 4.29Å; I450-V484 HydrophobicContact CD1-CG2 4.05Å
451	G	87.2	Confident	81	Confident	41 Å²	41	42.8 Å²	42.8	42%	0.423	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	133.8	173.3	0	0	0	0	0	111.3	P454	G451-P454 WeakPolarHBondContact O-CD 3.32Å
452	L	86.9	Confident	81	Confident	3 Å²	3	42.4 Å²	42.4	2%	0.016	26%	0.259	C	S	.	.			trans	-83.9	-9.7	-174.1	-55.9	-177	0	0	0	114	L364 F392 L424 L429 P454 L455 L456 V484	L364-L452 HydrophobicContact CD1-CD1 4.11Å; L364-L452 HydrophobicContact CD1-CD2 3.79Å; L364-L452 HydrophobicContact CD2-CD1 3.9Å; L364-L452 HydrophobicContact CD2-CD2 4.44Å; F392-L452 HydrophobicContact CD2-CD1 4.42Å; F392-L452 HydrophobicContact CE1-CD1 4.42Å; F392-L452 HydrophobicContact CE2-CD1 3.55Å; F392-L452 HydrophobicContact CE2-CG 4.4Å; F392-L452 HydrophobicContact CZ-CD1 3.56Å; L424-L452 HydrophobicContact CD2-CD1 4Å; L429-L452 HydrophobicContact CB-CD2 4.28Å; L452-P454 VanDerWaalsContact C-N 3.33Å; L452-P454 VanDerWaalsContact O-N 3.11Å; L452-L455 HydrophobicContact CD2-CD1 4.35Å; L452-L455 WeakPolarHBondContact O-CB 3.44Å; L452-L455 PolarHBondContact O-N 3.44Å; L452-L456 PolarHBondContact O-N 3.44Å; L452-V484 HydrophobicContact CD2-CG1 4.28Å
453	S	78.5	Confident	80.9	Confident	51 Å²	51	41.7 Å²	41.7	36%	0.357	26%	0.255	S	S	.	.	H	α-helix	trans	-46.6	-41.1	-176.1	-36.2	0	0	0	0	115.4	L455 L456 S457	S453-L455 VanDerWaalsContact C-N 3.29Å; S453-L455 PolarHBondContact O-N 2.6Å; S453-L456 PolarHBondContact O-N 3.01Å; S453-S457 PolarHBondContact O-OG 3.19Å
454	P	76.4	Confident	81	Confident	79 Å²	79	40.7 Å²	40.7	51%	0.513	26%	0.257	S	S	.	.	H	α-helix	trans	-66.2	-27.1	178.6	-20.5	33.8	0	0	0	114.4	G451 L452 I463	G451-P454 WeakPolarHBondContact O-CD 3.32Å; L452-P454 VanDerWaalsContact C-N 3.33Å; L452-P454 VanDerWaalsContact O-N 3.11Å; P454-I463 HydrophobicContact CB-CD1 4.38Å; P454-I463 HydrophobicContact CG-CD1 4.49Å
455	L	78.9	Confident	81.1	Confident	8 Å²	8	41.6 Å²	41.6	4%	0.042	27%	0.267	C	S	.	.	H	α-helix	trans	-77.3	-35.6	177.2	-62.6	173.8	0	0	0	111.4	L452 S453 S457 G460 I463 V484 L486	L452-L455 HydrophobicContact CD2-CD1 4.35Å; L452-L455 WeakPolarHBondContact O-CB 3.44Å; L452-L455 PolarHBondContact O-N 3.44Å; S453-L455 VanDerWaalsContact C-N 3.29Å; S453-L455 PolarHBondContact O-N 2.6Å; L455-S457 PolarHBondContact O-N 2.93Å; L455-G460 WeakPolarHBondContact CD2-O 3.48Å; L455-I463 HydrophobicContact CD1-CD1 4.2Å; L455-I463 HydrophobicContact CD2-CD1 4.08Å; L455-I463 HydrophobicContact CD2-CG1 3.83Å; L455-I463 HydrophobicContact CG-CD1 3.85Å; L455-I463 HydrophobicContact CG-CG1 4.18Å; L455-V484 HydrophobicContact CD1-CG1 3.97Å; L455-L486 HydrophobicContact CB-CB 4Å; L455-L486 HydrophobicContact CB-CD2 4.03Å; L455-L486 HydrophobicContact CD1-CB 3.96Å
456	L	75	Confident	81.2	Confident	12 Å²	12	46.1 Å²	46.1	6%	0.063	28%	0.284	C	S	.	.	H	α-helix	trans	-65.3	-36	-178.3	-65.9	173.6	0	0	0	113	L424 Q425 L452 S453 G458 L486 L488 C500	L424-L456 HydrophobicContact CB-CD2 4.33Å; Q425-L456 HydrophobicContact CG-CD1 3.76Å; L452-L456 PolarHBondContact O-N 3.44Å; S453-L456 PolarHBondContact O-N 3.01Å; L456-G458 PolarHBondContact O-N 2.89Å; L456-L486 HydrophobicContact CD2-CD2 3.49Å; L456-L486 VanDerWaalsContact CD2-CD2 3.49Å; L456-L486 HydrophobicContact CG-CD2 4.19Å; L456-L488 HydrophobicContact CD2-CD1 4.25Å; L456-L488 HydrophobicContact CD2-CD2 4.08Å; L456-C500 HydrophobicContact CB-CB 4.3Å
457	S	63.2	Low	81.3	Confident	35 Å²	35	48.2 Å²	48.2	25%	0.245	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	14.7	-177.8	-52.3	0	0	0	0	115.1	S453 L455 R459	S453-S457 PolarHBondContact O-OG 3.19Å; L455-S457 PolarHBondContact O-N 2.93Å; S457-R459 PolarHBondContact O-N 3.48Å
458	G	56.8	Low	81.4	Confident	69 Å²	69	49.5 Å²	49.5	71%	0.711	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.2	17.2	174.2	0	0	0	0	0	115.4	L456	L456-G458 PolarHBondContact O-N 2.89Å
459	R	53.2	Low	81.5	Confident	147 Å²	147	49 Å²	49	56%	0.555	30%	0.303	S	S	*	.	S	Bend	trans	-88	-16.8	-178.9	-73	177	173.3	-124.3	2.3	113.4	S457 E503	S457-R459 PolarHBondContact O-N 3.48Å; R459-E503 IonicContact CZ-OE2 2.91Å; R459-E503 VanDerWaalsContact CZ-OE2 3.29Å; R459-E503 IonicContact NE-OE2 3.05Å; R459-E503 PolarHBondContact NE-OE2 3.23Å; R459-E503 IonicContact NH2-OE2 3.76Å; R459-E503 PolarHBondContact NH2-OE2 3.46Å
460	G	54.9	Low	81.6	Confident	36 Å²	36	51.2 Å²	51.2	37%	0.371	31%	0.312	S	S	.	.			trans	-178.6	138.9	172.1	0	0	0	0	0	110	L455 Q462	L455-G460 WeakPolarHBondContact CD2-O 3.48Å; G460-Q462 VanDerWaalsContact C-N 3.26Å; G460-Q462 PolarHBondContact O-N 3.22Å
461	S	69.6	Low	81.6	Confident	74 Å²	74	51 Å²	51	52%	0.517	31%	0.311	S	S	.	.	S	Bend	trans	-83.6	2.5	-178.9	56.4	0	0	0	0	113.9	R485 L486	S461-R485 CarbonylContact O-C 3.59Å; S461-R485 WeakPolarHBondContact O-CA 3.5Å; S461-L486 PolarHBondContact O-N 3.12Å
462	Q	85.8	Confident	81.6	Confident	80 Å²	80	50.3 Å²	50.3	37%	0.374	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	138.6	-175.1	-171.4	-177	-75.7	0	0	112.5	G460 I483 V484 R485	G460-Q462 VanDerWaalsContact C-N 3.26Å; G460-Q462 PolarHBondContact O-N 3.22Å; Q462-I483 HydrophobicContact CG-CG2 3.62Å; Q462-V484 CarbonylContact C-O 3.59Å; Q462-V484 VanDerWaalsContact CA-O 3.28Å; Q462-V484 WeakPolarHBondContact CA-O 3.38Å; Q462-R485 HydrophobicContact CB-CG 4.03Å; Q462-R485 HydrophobicContact CG-CG 3.83Å; Q462-R485 VanDerWaalsContact OE1-CZ 3.26Å
463	I	88.2	Confident	81.6	Confident	41 Å²	41	54.1 Å²	54.1	21%	0.21	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	136.2	159.6	-72.4	165	0	0	0	107	P454 L455 F467 V484	P454-I463 HydrophobicContact CB-CD1 4.38Å; P454-I463 HydrophobicContact CG-CD1 4.49Å; L455-I463 HydrophobicContact CD1-CD1 4.2Å; L455-I463 HydrophobicContact CD2-CD1 4.08Å; L455-I463 HydrophobicContact CD2-CG1 3.83Å; L455-I463 HydrophobicContact CG-CD1 3.85Å; L455-I463 HydrophobicContact CG-CG1 4.18Å; I463-F467 HydrophobicContact CG2-CE2 4.48Å; I463-F467 HydrophobicContact CG2-CZ 3.68Å; I463-V484 PolarHBondContact N-O 3.37Å; I463-V484 PolarHBondContact O-N 3.32Å; I463-V484 VanDerWaalsContact O-O 3.11Å
464	A	91.4	Very high	82.1	Confident	56 Å²	56	57.3 Å²	57.3	46%	0.463	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	139.9	176.9	0	0	0	0	0	111.4	V482 I483	A464-V482 WeakPolarHBondContact CA-O 3.34Å; A464-I483 HydrophobicContact CB-CB 4.46Å; A464-I483 HydrophobicContact CB-CG1 3.99Å; A464-I483 HydrophobicContact CB-CG2 4.3Å
465	G	92.9	Very high	82.8	Confident	25 Å²	25	54.5 Å²	54.5	26%	0.258	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	155.8	-173.7	175	0	0	0	0	0	114.4	F467 N481 V482	G465-F467 WeakPolarHBondContact O-CD2 3.38Å; G465-F467 WeakPolarHBondContact O-CE2 3.31Å; G465-N481 WeakPolarHBondContact O-CA 3.43Å; G465-N481 PolarHBondContact O-OD1 2.87Å; G465-V482 PolarHBondContact N-O 3.44Å; G465-V482 VanDerWaalsContact N-O 3.14Å; G465-V482 PolarHBondContact O-N 2.93Å
466	W	96.4	Very high	83.5	Confident	95 Å²	95	59.7 Å²	59.7	36%	0.36	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	131.1	172.8	-67.3	94.3	0	0	0	110.7	A370 R372 E479 I480 N481	A370-W466 HydrophobicContact CB-CH2 4.01Å; R372-W466 HydrophobicContact CB-CH2 3.98Å; R372-W466 HydrophobicContact CB-CZ3 3.84Å; R372-W466 HydrophobicContact CG-CD2 4.49Å; R372-W466 HydrophobicContact CG-CE3 3.77Å; R372-W466 HydrophobicContact CG-CH2 3.89Å; R372-W466 HydrophobicContact CG-CZ3 3.45Å; R372-W466 VanDerWaalsContact CG-CZ3 3.45Å; W466-E479 HydrophobicContact CE3-CB 3.93Å; W466-I480 CarbonylContact C-O 3.58Å; W466-I480 WeakPolarHBondContact CA-O 3.37Å; W466-N481 HydrophobicContact CD2-CB 3.71Å; W466-N481 HydrophobicContact CE3-CB 3.67Å; W466-N481 HydrophobicContact CG-CB 4.41Å; W466-N481 HydrophobicContact CH2-CB 3.77Å; W466-N481 HydrophobicContact CZ2-CB 3.82Å; W466-N481 HydrophobicContact CZ3-CB 3.69Å
467	F	96.3	Very high	84.5	Confident	46 Å²	46	62.1 Å²	62.1	20%	0.202	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	135.9	176.4	-65.5	-91.5	0	0	0	110.5	V448 I450 I463 G465 I469 E479 I480	V448-F467 HydrophobicContact CG1-CB 3.66Å; V448-F467 HydrophobicContact CG1-CD1 4.26Å; V448-F467 HydrophobicContact CG1-CG 4.12Å; V448-F467 HydrophobicContact CG2-CB 4.2Å; I450-F467 HydrophobicContact CD1-CD1 4.28Å; I450-F467 HydrophobicContact CD1-CD2 4.23Å; I450-F467 HydrophobicContact CD1-CE1 4.09Å; I450-F467 HydrophobicContact CD1-CE2 4.04Å; I450-F467 HydrophobicContact CD1-CG 4.36Å; I450-F467 HydrophobicContact CD1-CZ 3.98Å; I450-F467 HydrophobicContact CG1-CD1 4.39Å; I450-F467 HydrophobicContact CG1-CE1 4.29Å; I463-F467 HydrophobicContact CG2-CE2 4.48Å; I463-F467 HydrophobicContact CG2-CZ 3.68Å; G465-F467 WeakPolarHBondContact O-CD2 3.38Å; G465-F467 WeakPolarHBondContact O-CE2 3.31Å; F467-I469 PolarHBondContact O-N 3.02Å; F467-E479 CarbonylContact O-C 3.53Å; F467-E479 WeakPolarHBondContact O-CA 3.47Å; F467-I480 HydrophobicContact CB-CG2 4.28Å; F467-I480 PolarHBondContact N-O 3.37Å; F467-I480 PolarHBondContact O-N 3.33Å
468	P	97	Very high	86	Confident	65 Å²	65	61.2 Å²	61.2	42%	0.422	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	126.2	177.1	29.1	-33.9	0	0	0	111.1	I476	P468-I476 HydrophobicContact CB-CD1 4.4Å; P468-I476 HydrophobicContact CB-CG2 4.04Å
469	I	97	Very high	88	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	126.7	174.4	-59.1	161.3	0	0	0	107.6	L374 V433 V448 F467 I476 R477 G478 I480	L374-I469 HydrophobicContact CD2-CD1 3.37Å; V433-I469 HydrophobicContact CB-CD1 4.46Å; V433-I469 HydrophobicContact CG2-CD1 3.84Å; V433-I469 HydrophobicContact CG2-CG1 4.12Å; V433-I469 HydrophobicContact CG2-CG2 4.39Å; V448-I469 HydrophobicContact CG2-CG1 4.24Å; F467-I469 PolarHBondContact O-N 3.02Å; I469-I476 CarbonylContact O-C 3.57Å; I469-I476 WeakPolarHBondContact O-CA 3.43Å; I469-R477 HydrophobicContact CG2-CB 4.33Å; I469-R477 PolarHBondContact O-N 3.34Å; I469-G478 PolarHBondContact N-O 3.18Å; I469-I480 HydrophobicContact CD1-CB 4.22Å; I469-I480 HydrophobicContact CG1-CB 4.17Å; I469-I480 HydrophobicContact CG1-CG2 4.08Å
470	Y	94.7	Very high	90.1	Very high	105 Å²	105	53.8 Å²	53.8	41%	0.412	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	131.4	-177.1	-171	-91.1	0	0	0	112.2	G446 R447 T472 I476	G446-Y470 CarbonylContact C-O 3.59Å; G446-Y470 WeakPolarHBondContact CA-O 3.38Å; R447-Y470 PolarHBondContact N-O 2.71Å; R447-Y470 PolarHBondContact O-N 2.66Å; Y470-T472 HydrophobicContact CE1-CG2 4.39Å; Y470-I476 HydrophobicContact CD2-CG1 4.49Å
471	D	92.4	Very high	92.1	Very high	3 Å²	3	53.5 Å²	53.5	2%	0.016	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	132.1	170.5	175	24.5	0	0	0	110.2	M473 H474 G475 R477 R544	D471-M473 PolarHBondContact O-N 2.86Å; D471-M473 VanDerWaalsContact O-N 3.14Å; D471-M473 PolarHBondContact OD1-N 2.84Å; D471-H474 HydrophobicContact CB-CB 4.48Å; D471-H474 PolarHBondContact O-N 3.45Å; D471-H474 IonicContact OD2-CE1 3.83Å; D471-H474 IonicContact OD2-CG 3.52Å; D471-H474 IonicContact OD2-ND1 3.94Å; D471-H474 PolarHBondContact OD2-ND1 3.41Å; D471-G475 PolarHBondContact N-O 3.23Å; D471-G475 PolarHBondContact O-N 3.24Å; D471-R477 HydrophobicContact CB-CG 3.85Å; D471-R544 IonicContact OD1-CZ 2.71Å; D471-R544 IonicContact OD1-NE 2.66Å; D471-R544 PolarHBondContact OD1-NE 3.35Å; D471-R544 IonicContact OD1-NH2 2.69Å; D471-R544 PolarHBondContact OD1-NH2 3.03Å; D471-R544 IonicContact OD2-CZ 3.65Å; D471-R544 IonicContact OD2-NE 2.76Å; D471-R544 IonicContact OD2-NH2 2.75Å; D471-R544 PolarHBondContact OD2-NH2 2.87Å
472	T	87.9	Confident	93.4	Very high	27 Å²	27	50 Å²	50	17%	0.166	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-16.8	-177.4	57.3	0	0	0	0	113.7	Y470 N547	Y470-T472 HydrophobicContact CE1-CG2 4.39Å; T472-N547 HydrophobicContact CG2-CB 3.77Å
473	M	86.4	Confident	93.9	Very high	83 Å²	83	47.6 Å²	47.6	41%	0.409	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-23.8	176.6	-62.5	-57.3	-54.4	0	0	114.7	D471 P543 R544	D471-M473 PolarHBondContact O-N 2.86Å; D471-M473 VanDerWaalsContact O-N 3.14Å; D471-M473 PolarHBondContact OD1-N 2.84Å; M473-P543 HydrophobicContact SD-CG 4.08Å; M473-R544 HydrophobicContact CG-CB 3.91Å; M473-R544 HydrophobicContact CG-CG 4.34Å; M473-R544 HydrophobicContact SD-CB 4.45Å
474	H	89.6	Confident	94.2	Very high	118 Å²	118	45.7 Å²	45.7	55%	0.546	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-133.8	-1.9	-167.7	-59.8	102.7	0	0	0	115.2	D471 R477	D471-H474 HydrophobicContact CB-CB 4.48Å; D471-H474 PolarHBondContact O-N 3.45Å; D471-H474 IonicContact OD2-CE1 3.83Å; D471-H474 IonicContact OD2-CG 3.52Å; D471-H474 IonicContact OD2-ND1 3.94Å; D471-H474 PolarHBondContact OD2-ND1 3.41Å; H474-R477 VanDerWaalsContact CB-NE 3.29Å; H474-R477 PolarHBondContact CD2-NH2 3.1Å; H474-R477 VanDerWaalsContact CD2-NH2 3.32Å; H474-R477 PolarHBondContact ND1-NH2 3.44Å
475	G	91.1	Very high	94.1	Very high	20 Å²	20	47.3 Å²	47.3	21%	0.206	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	78.7	-138.4	-178.1	0	0	0	0	0	112.8	D471	D471-G475 PolarHBondContact N-O 3.23Å; D471-G475 PolarHBondContact O-N 3.24Å
476	I	94.8	Very high	93.7	Very high	117 Å²	117	46.5 Å²	46.5	60%	0.6	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	131	-174	-58.6	175.5	0	0	0	110.8	P468 I469 Y470	P468-I476 HydrophobicContact CB-CD1 4.4Å; P468-I476 HydrophobicContact CB-CG2 4.04Å; I469-I476 CarbonylContact O-C 3.57Å; I469-I476 WeakPolarHBondContact O-CA 3.43Å; Y470-I476 HydrophobicContact CD2-CG1 4.49Å
477	R	94.6	Very high	92.9	Very high	63 Å²	63	45 Å²	45	24%	0.238	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	49.1	-173.4	-67.3	-59.5	-143.6	163.7	4.1	112.1	P375 V445 I469 D471 H474	P375-R477 WeakPolarHBondContact CD-O 3.39Å; P375-R477 HydrophobicContact CG-CB 4.25Å; V445-R477 HydrophobicContact CG1-CB 4.19Å; V445-R477 WeakPolarHBondContact O-CG 3.4Å; I469-R477 HydrophobicContact CG2-CB 4.33Å; I469-R477 PolarHBondContact O-N 3.34Å; D471-R477 HydrophobicContact CB-CG 3.85Å; H474-R477 VanDerWaalsContact CB-NE 3.29Å; H474-R477 PolarHBondContact CD2-NH2 3.1Å; H474-R477 VanDerWaalsContact CD2-NH2 3.32Å; H474-R477 PolarHBondContact ND1-NH2 3.44Å
478	G	95.5	Very high	91.7	Very high	15 Å²	15	46.2 Å²	46.2	16%	0.155	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	86.8	-164.2	-174.8	0	0	0	0	0	112.8	R372 G373 I469	R372-G478 WeakPolarHBondContact O-CA 3.33Å; G373-G478 WeakPolarHBondContact O-CA 3.46Å; I469-G478 PolarHBondContact N-O 3.18Å
479	E	97.7	Very high	90.1	Very high	60 Å²	60	48.1 Å²	48.1	28%	0.28	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	153.4	-175.4	-58.9	179.5	147	0	0	112.2	G371 R372 W466 F467	G371-E479 CarbonylContact C-O 3.54Å; G371-E479 WeakPolarHBondContact CA-O 3.41Å; R372-E479 HydrophobicContact CG-CB 4.13Å; R372-E479 IonicContact CZ-OE2 2.7Å; R372-E479 PolarHBondContact N-O 3.23Å; R372-E479 IonicContact NE-OE2 3.83Å; R372-E479 PolarHBondContact NE-OE2 3.12Å; R372-E479 IonicContact NH2-OE2 2.69Å; R372-E479 PolarHBondContact NH2-OE2 3.45Å; R372-E479 PolarHBondContact O-N 3.45Å; W466-E479 HydrophobicContact CE3-CB 3.93Å; F467-E479 CarbonylContact O-C 3.53Å; F467-E479 WeakPolarHBondContact O-CA 3.47Å
480	I	97.6	Very high	87.9	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	133.8	177.6	-169.9	177.2	0	0	0	110.9	V368 A370 V388 W410 V433 V448 W466 F467 I469 V482	V368-I480 HydrophobicContact CG1-CD1 3.97Å; V368-I480 HydrophobicContact CG1-CG1 4.39Å; A370-I480 CarbonylContact O-C 3.58Å; A370-I480 WeakPolarHBondContact O-CA 3.32Å; V388-I480 HydrophobicContact CG1-CD1 3.93Å; V388-I480 HydrophobicContact CG2-CD1 3.88Å; W410-I480 HydrophobicContact CZ3-CD1 4.43Å; W410-I480 HydrophobicContact CZ3-CG1 4.38Å; V433-I480 HydrophobicContact CG2-CD1 4.12Å; V448-I480 HydrophobicContact CG2-CG2 3.67Å; W466-I480 CarbonylContact C-O 3.58Å; W466-I480 WeakPolarHBondContact CA-O 3.37Å; F467-I480 HydrophobicContact CB-CG2 4.28Å; F467-I480 PolarHBondContact N-O 3.37Å; F467-I480 PolarHBondContact O-N 3.33Å; I469-I480 HydrophobicContact CD1-CB 4.22Å; I469-I480 HydrophobicContact CG1-CB 4.17Å; I469-I480 HydrophobicContact CG1-CG2 4.08Å; I480-V482 HydrophobicContact CD1-CG2 4.01Å; I480-V482 HydrophobicContact CG1-CG2 3.84Å; I480-V482 HydrophobicContact CG2-CG2 4.22Å
481	N	97.7	Very high	85.7	Confident	30 Å²	30	49.6 Å²	49.6	16%	0.16	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	119.2	177.1	-171.2	3.3	0	0	0	110.3	I369 A370 G465 W466	I369-N481 HydrophobicContact CB-CB 4.17Å; I369-N481 WeakPolarHBondContact CB-O 3.39Å; I369-N481 PolarHBondContact N-O 3.47Å; A370-N481 PolarHBondContact O-N 3.37Å; G465-N481 WeakPolarHBondContact O-CA 3.43Å; G465-N481 PolarHBondContact O-OD1 2.87Å; W466-N481 HydrophobicContact CD2-CB 3.71Å; W466-N481 HydrophobicContact CE3-CB 3.67Å; W466-N481 HydrophobicContact CG-CB 4.41Å; W466-N481 HydrophobicContact CH2-CB 3.77Å; W466-N481 HydrophobicContact CZ2-CB 3.82Å; W466-N481 HydrophobicContact CZ3-CB 3.69Å
482	V	97.2	Very high	83.4	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	144.4	-172.8	-176.4	0	0	0	0	110.3	V366 R367 L431 A464 G465 I480 V484	V366-V482 HydrophobicContact CG1-CG1 3.9Å; R367-V482 WeakPolarHBondContact O-CA 3.37Å; R367-V482 WeakPolarHBondContact O-CG1 3.36Å; L431-V482 HydrophobicContact CD1-CB 4.48Å; L431-V482 HydrophobicContact CD1-CG1 4.26Å; L431-V482 HydrophobicContact CD1-CG2 3.92Å; A464-V482 WeakPolarHBondContact CA-O 3.34Å; G465-V482 PolarHBondContact N-O 3.44Å; G465-V482 VanDerWaalsContact N-O 3.14Å; G465-V482 PolarHBondContact O-N 2.93Å; I480-V482 HydrophobicContact CD1-CG2 4.01Å; I480-V482 HydrophobicContact CG1-CG2 3.84Å; I480-V482 HydrophobicContact CG2-CG2 4.22Å; V482-V484 HydrophobicContact CG1-CG2 3.97Å
483	I	95.4	Very high	81.2	Confident	31 Å²	31	55 Å²	55	16%	0.159	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	129	163.8	-54.1	172.1	0	0	0	108.2	V366 R367 I369 W414 Q462 A464 R485	V366-I483 WeakPolarHBondContact CA-O 3.46Å; R367-I483 HydrophobicContact CB-CB 4.39Å; R367-I483 PolarHBondContact N-O 2.85Å; R367-I483 PolarHBondContact O-N 3.48Å; I369-I483 HydrophobicContact CD1-CD1 3.94Å; I369-I483 HydrophobicContact CD1-CG1 3.94Å; W414-I483 HydrophobicContact CH2-CB 4.16Å; W414-I483 HydrophobicContact CH2-CG2 3.71Å; W414-I483 HydrophobicContact CZ3-CB 4.46Å; W414-I483 HydrophobicContact CZ3-CG2 4.19Å; Q462-I483 HydrophobicContact CG-CG2 3.62Å; A464-I483 HydrophobicContact CB-CB 4.46Å; A464-I483 HydrophobicContact CB-CG1 3.99Å; A464-I483 HydrophobicContact CB-CG2 4.3Å; I483-R485 HydrophobicContact CG2-CG 4.31Å
484	V	93.9	Very high	78.9	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	128.6	172.9	-174.8	0	0	0	0	107.5	L364 Q365 V366 L429 I450 L452 L455 Q462 I463 V482	L364-V484 HydrophobicContact CD1-CG1 3.59Å; Q365-V484 CarbonylContact O-C 3.59Å; Q365-V484 WeakPolarHBondContact O-CA 3.44Å; V366-V484 HydrophobicContact CG2-CG1 4.5Å; L429-V484 HydrophobicContact CD2-CB 4.42Å; L429-V484 HydrophobicContact CD2-CG1 3.95Å; L429-V484 HydrophobicContact CD2-CG2 3.54Å; I450-V484 HydrophobicContact CD1-CG2 4.05Å; L452-V484 HydrophobicContact CD2-CG1 4.28Å; L455-V484 HydrophobicContact CD1-CG1 3.97Å; Q462-V484 CarbonylContact C-O 3.59Å; Q462-V484 VanDerWaalsContact CA-O 3.28Å; Q462-V484 WeakPolarHBondContact CA-O 3.38Å; I463-V484 PolarHBondContact N-O 3.37Å; I463-V484 PolarHBondContact O-N 3.32Å; I463-V484 VanDerWaalsContact O-O 3.11Å; V482-V484 HydrophobicContact CG1-CG2 3.97Å
485	R	89.9	Confident	76.4	Confident	90 Å²	90	59 Å²	59	34%	0.34	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	147.4	173.4	-69.6	179.1	174	174.3	-5.4	110.6	L364 Q365 W414 S461 Q462 I483	L364-R485 WeakPolarHBondContact CA-O 3.36Å; Q365-R485 HydrophobicContact CB-CB 4.21Å; Q365-R485 PolarHBondContact N-O 3.32Å; Q365-R485 PolarHBondContact O-N 2.89Å; W414-R485 HydrophobicContact CH2-CG 3.99Å; W414-R485 HydrophobicContact CZ3-CB 4.46Å; W414-R485 HydrophobicContact CZ3-CG 4.11Å; S461-R485 CarbonylContact O-C 3.59Å; S461-R485 WeakPolarHBondContact O-CA 3.5Å; Q462-R485 HydrophobicContact CB-CG 4.03Å; Q462-R485 HydrophobicContact CG-CG 3.83Å; Q462-R485 VanDerWaalsContact OE1-CZ 3.26Å; I483-R485 HydrophobicContact CG2-CG 4.31Å
486	L	84.2	Confident	74.6	Confident	8 Å²	8	61.8 Å²	61.8	4%	0.042	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	118.4	170.5	-175.3	66	0	0	0	109.3	L364 L424 L455 L456 S461 L488	L364-L486 HydrophobicContact CB-CD1 4.09Å; L364-L486 HydrophobicContact CD1-CD1 4.48Å; L424-L486 HydrophobicContact CD1-CD1 4.35Å; L424-L486 HydrophobicContact CD2-CD1 3.76Å; L455-L486 HydrophobicContact CB-CB 4Å; L455-L486 HydrophobicContact CB-CD2 4.03Å; L455-L486 HydrophobicContact CD1-CB 3.96Å; L456-L486 HydrophobicContact CD2-CD2 3.49Å; L456-L486 VanDerWaalsContact CD2-CD2 3.49Å; L456-L486 HydrophobicContact CG-CD2 4.19Å; S461-L486 PolarHBondContact O-N 3.12Å; L486-L488 HydrophobicContact CD2-CD2 3.97Å; L486-L488 HydrophobicContact CD2-CG 4.06Å; L486-L488 HydrophobicContact CG-CD2 4.21Å; L486-L488 HydrophobicContact CG-CG 4.16Å
487	N	79.9	Confident	72.7	Confident	65 Å²	65	61.8 Å²	61.8	35%	0.348	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	98.3	169.2	-60.8	-38.1	0	0	0	107.3	G362 T363 Q365	G362-N487 CarbonylContact C-O 3.54Å; G362-N487 VanDerWaalsContact CA-O 3.24Å; G362-N487 WeakPolarHBondContact CA-O 3.32Å; T363-N487 PolarHBondContact N-O 3.29Å; T363-N487 PolarHBondContact O-N 3.07Å; Q365-N487 PolarHBondContact NE2-ND2 2.89Å
488	L	70.7	Confident	71.3	Confident	70 Å²	70	59.2 Å²	59.2	37%	0.366	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	133.5	168.2	-67.6	173.4	0	0	0	109.2	P361 L424 L456 L486	P361-L488 CarbonylContact O-C 3.54Å; P361-L488 WeakPolarHBondContact O-CA 3.32Å; L424-L488 HydrophobicContact CD1-CD2 4.07Å; L456-L488 HydrophobicContact CD2-CD1 4.25Å; L456-L488 HydrophobicContact CD2-CD2 4.08Å; L486-L488 HydrophobicContact CD2-CD2 3.97Å; L486-L488 HydrophobicContact CD2-CG 4.06Å; L486-L488 HydrophobicContact CG-CD2 4.21Å; L486-L488 HydrophobicContact CG-CG 4.16Å
489	F	64.4	Low	70	Confident	105 Å²	105	58.8 Å²	58.8	46%	0.461	29%	0.294	S	S	.	.			trans	-88.8	137.4	165.7	-61.3	-78.1	0	0	0	107.5	M360 P361 T363 D491	M360-F489 VanDerWaalsContact O-CD2 3.31Å; M360-F489 WeakPolarHBondContact O-CD2 3.46Å; P361-F489 PolarHBondContact O-N 2.69Å; T363-F489 HydrophobicContact CG2-CE2 4.08Å; F489-D491 PolarHBondContact O-N 2.78Å
490	A	51.3	Low	68.7	Low	93 Å²	93	56.3 Å²	56.3	77%	0.769	28%	0.284	S	S	*	.			trans	-61.8	103.6	-165.7	0	0	0	0	0	112.2	I492	A490-I492 PolarHBondContact O-N 3.28Å
491	D	47.5	Very low	67.7	Low	44 Å²	44	60.1 Å²	60.1	24%	0.235	30%	0.304	C	S	.	.			trans	-69.9	114	179.6	169.4	38.1	0	0	0	110.9	F489 S493 R496	F489-D491 PolarHBondContact O-N 2.78Å; D491-S493 WeakPolarHBondContact OD1-CB 3.38Å; D491-S493 PolarHBondContact OD1-N 3.02Å; D491-S493 PolarHBondContact OD1-OG 3.04Å; D491-R496 IonicContact OD2-CZ 2.71Å; D491-R496 IonicContact OD2-NE 2.85Å; D491-R496 PolarHBondContact OD2-NE 2.92Å; D491-R496 IonicContact OD2-NH2 3.06Å; D491-R496 PolarHBondContact OD2-NH2 3.05Å
492	I	43.8	Very low	67.1	Low	115 Å²	115	59.1 Å²	59.1	59%	0.59	30%	0.299	S	S	*	.			trans	-115.6	21.2	175.7	-54.6	165.2	0	0	0	108.9	Q356 A490 Q494	Q356-I492 HydrophobicContact CG-CB 4.22Å; A490-I492 PolarHBondContact O-N 3.28Å; I492-Q494 PolarHBondContact O-N 3.41Å
493	S	41.1	Very low	66.6	Low	27 Å²	27	60.1 Å²	60.1	19%	0.189	30%	0.303	C	S	.	.			trans	-68.1	126.1	179.6	68.2	0	0	0	0	111.2	D491 F495	D491-S493 WeakPolarHBondContact OD1-CB 3.38Å; D491-S493 PolarHBondContact OD1-N 3.02Å; D491-S493 PolarHBondContact OD1-OG 3.04Å; S493-F495 PolarHBondContact O-N 2.85Å
494	Q	38.1	Very low	66.2	Low	149 Å²	149	60.7 Å²	60.7	70%	0.696	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-9.8	177	-161.4	175.7	6.8	0	0	112.5	I492	I492-Q494 PolarHBondContact O-N 3.41Å
495	F	38.5	Very low	65.9	Low	137 Å²	137	62 Å²	62	60%	0.601	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113	34.5	-172.4	-62.7	-76.6	0	0	0	113.3	S493 E497	S493-F495 PolarHBondContact O-N 2.85Å; F495-E497 PolarHBondContact O-N 2.78Å
496	R	52.7	Low	65.8	Low	79 Å²	79	61.4 Å²	61.4	30%	0.298	33%	0.328	S	S	.	.			trans	-45.8	113.7	-175.6	-86.4	178.1	160.1	-159.9	-14.9	114.5	D491 S498 D501 K567	D491-R496 IonicContact OD2-CZ 2.71Å; D491-R496 IonicContact OD2-NE 2.85Å; D491-R496 PolarHBondContact OD2-NE 2.92Å; D491-R496 IonicContact OD2-NH2 3.06Å; D491-R496 PolarHBondContact OD2-NH2 3.05Å; R496-S498 VanDerWaalsContact C-N 3.34Å; R496-D501 IonicContact CZ-OD1 2.68Å; R496-D501 VanDerWaalsContact CZ-OD1 3.3Å; R496-D501 IonicContact CZ-OD2 3.29Å; R496-D501 IonicContact NH1-OD1 2.67Å; R496-D501 PolarHBondContact NH1-OD1 2.92Å; R496-D501 IonicContact NH1-OD2 2.83Å; R496-D501 PolarHBondContact NH1-OD2 2.84Å; R496-D501 IonicContact NH2-OD1 3.12Å; R496-D501 PolarHBondContact NH2-OD1 3.17Å; R496-D501 IonicContact NH2-OD2 3.49Å; R496-K567 PolarHBondContact O-NZ 2.89Å; R496-K567 VanDerWaalsContact O-NZ 3.08Å
497	E	55.6	Low	65.5	Low	116 Å²	116	64.4 Å²	64.4	54%	0.542	35%	0.347	S	S	.	.			trans	-84.8	-13.4	154.3	-78.1	-138.5	176.2	0	0	112.6	F495 R563	F495-E497 PolarHBondContact O-N 2.78Å; E497-R563 WeakPolarHBondContact O-CD 3.47Å; E497-R563 PolarHBondContact O-NH1 3.11Å; E497-R563 IonicContact OE2-CZ 2.64Å; E497-R563 IonicContact OE2-NH1 3.48Å; E497-R563 PolarHBondContact OE2-NH1 2.9Å
498	S	63.8	Low	65.3	Low	9 Å²	9	65 Å²	65	6%	0.063	36%	0.357	C	S	.	.			trans	-86.7	151.9	-179.3	64.4	0	0	0	0	112.9	D421 Q425 R496	D421-S498 WeakPolarHBondContact OD2-CB 3.3Å; D421-S498 PolarHBondContact OD2-OG 2.9Å; Q425-S498 VanDerWaalsContact OE1-CA 3.31Å; R496-S498 VanDerWaalsContact C-N 3.34Å
499	S	68.4	Low	65	Low	6 Å²	6	63.3 Å²	63.3	4%	0.042	36%	0.356	C	S	.	.			trans	-125	27.9	176	84.7	0	0	0	0	111.9	Q425 D501 I502	Q425-S499 PolarHBondContact NE2-OG 3.2Å; S499-D501 VanDerWaalsContact C-N 3.28Å; S499-D501 PolarHBondContact O-N 3.35Å; S499-I502 WeakPolarHBondContact O-CB 3.44Å; S499-I502 PolarHBondContact O-N 2.88Å
500	C	71.3	Confident	65.1	Low	9 Å²	9	61.6 Å²	61.6	6%	0.061	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-30.4	-164	-66.9	0	0	0	0	114.2	D421 L456	D421-C500 PolarHBondContact OD1-SG 3.01Å; L456-C500 HydrophobicContact CB-CB 4.3Å
501	D	75.8	Confident	65.8	Low	80 Å²	80	58.2 Å²	58.2	43%	0.428	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	5.3	177.3	27.4	-122.6	0	0	0	114.1	R496 S499 E503	R496-D501 IonicContact CZ-OD1 2.68Å; R496-D501 VanDerWaalsContact CZ-OD1 3.3Å; R496-D501 IonicContact CZ-OD2 3.29Å; R496-D501 IonicContact NH1-OD1 2.67Å; R496-D501 PolarHBondContact NH1-OD1 2.92Å; R496-D501 IonicContact NH1-OD2 2.83Å; R496-D501 PolarHBondContact NH1-OD2 2.84Å; R496-D501 IonicContact NH2-OD1 3.12Å; R496-D501 PolarHBondContact NH2-OD1 3.17Å; R496-D501 IonicContact NH2-OD2 3.49Å; S499-D501 VanDerWaalsContact C-N 3.28Å; S499-D501 PolarHBondContact O-N 3.35Å; D501-E503 PolarHBondContact O-N 3.07Å
502	I	85.9	Confident	66.3	Low	8 Å²	8	61.9 Å²	61.9	4%	0.041	34%	0.335	C	S	.	.			trans	-79.9	104.1	168.1	-53.6	-59.8	0	0	0	109.5	S499 V504 V569 N575 I577	S499-I502 WeakPolarHBondContact O-CB 3.44Å; S499-I502 PolarHBondContact O-N 2.88Å; I502-V504 WeakPolarHBondContact O-CG2 3.36Å; I502-V504 PolarHBondContact O-N 2.82Å; I502-V569 HydrophobicContact CD1-CG1 4.25Å; I502-V569 HydrophobicContact CG2-CB 4.09Å; I502-V569 HydrophobicContact CG2-CG1 3.88Å; I502-V569 HydrophobicContact CG2-CG2 4.49Å; I502-N575 WeakPolarHBondContact CA-O 3.43Å; I502-I577 HydrophobicContact CG2-CD1 4.35Å; I502-I577 HydrophobicContact CG2-CG1 4.11Å
503	E	85.7	Confident	67	Low	22 Å²	22	57.9 Å²	57.9	10%	0.103	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	118.8	-177	-64.7	-171.2	-127.8	0	0	111.9	R459 D501 F505 R514 N575 A576 I577	R459-E503 IonicContact CZ-OE2 2.91Å; R459-E503 VanDerWaalsContact CZ-OE2 3.29Å; R459-E503 IonicContact NE-OE2 3.05Å; R459-E503 PolarHBondContact NE-OE2 3.23Å; R459-E503 IonicContact NH2-OE2 3.76Å; R459-E503 PolarHBondContact NH2-OE2 3.46Å; D501-E503 PolarHBondContact O-N 3.07Å; E503-F505 HydrophobicContact CB-CE2 3.52Å; E503-F505 HydrophobicContact CB-CZ 3.74Å; E503-F505 WeakPolarHBondContact O-CD2 3.35Å; E503-F505 WeakPolarHBondContact O-CE2 3.37Å; E503-R514 IonicContact OE1-CZ 3.34Å; E503-R514 IonicContact OE1-NH1 3.75Å; E503-R514 PolarHBondContact OE1-NH1 3.04Å; E503-R514 IonicContact OE1-NH2 2.71Å; E503-R514 PolarHBondContact OE1-NH2 2.68Å; E503-R514 IonicContact OE2-CZ 2.72Å; E503-R514 IonicContact OE2-NH1 3.38Å; E503-R514 IonicContact OE2-NH2 3.5Å; E503-R514 PolarHBondContact OE2-NH2 3.06Å; E503-N575 PolarHBondContact N-O 2.8Å; E503-A576 HydrophobicContact CB-CB 4.22Å; E503-A576 CarbonylContact O-C 3.56Å; E503-A576 WeakPolarHBondContact O-CA 3.24Å; E503-A576 VanDerWaalsContact O-CB 3.23Å; E503-A576 WeakPolarHBondContact O-CB 3.43Å; E503-I577 PolarHBondContact O-N 3.26Å
504	V	88	Confident	68.2	Low	43 Å²	43	57.8 Å²	57.8	26%	0.261	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	122	-173.4	-169.9	0	0	0	0	111.5	I502 M562 I577 Y580	I502-V504 WeakPolarHBondContact O-CG2 3.36Å; I502-V504 PolarHBondContact O-N 2.82Å; V504-M562 HydrophobicContact CB-SD 4.38Å; V504-M562 HydrophobicContact CG1-CE 4.27Å; V504-M562 HydrophobicContact CG2-CG 4.03Å; V504-M562 HydrophobicContact CG2-SD 3.97Å; V504-I577 HydrophobicContact CG1-CB 4.39Å; V504-I577 HydrophobicContact CG1-CD1 4.28Å; V504-I577 HydrophobicContact CG2-CD1 4.08Å; V504-Y580 HydrophobicContact CG1-CD1 3.86Å; V504-Y580 HydrophobicContact CG1-CD2 3.77Å; V504-Y580 HydrophobicContact CG1-CE1 4.48Å; V504-Y580 HydrophobicContact CG1-CE2 4.4Å; V504-Y580 HydrophobicContact CG1-CG 3.45Å; V504-Y580 VanDerWaalsContact CG1-CG 3.45Å
505	F	87.6	Confident	69.7	Low	27 Å²	27	51.4 Å²	51.4	12%	0.118	29%	0.29	C	S	.	.			trans	-122.4	122.3	180	-57	-79.2	0	0	0	111.7	E503 T507 P511 A576 I577 I578 G579 Y580 M603	E503-F505 HydrophobicContact CB-CE2 3.52Å; E503-F505 HydrophobicContact CB-CZ 3.74Å; E503-F505 WeakPolarHBondContact O-CD2 3.35Å; E503-F505 WeakPolarHBondContact O-CE2 3.37Å; F505-T507 VanDerWaalsContact C-N 3.32Å; F505-T507 HydrophobicContact CB-CG2 4.03Å; F505-P511 HydrophobicContact CD1-CB 4.02Å; F505-P511 HydrophobicContact CD1-CG 3.95Å; F505-P511 HydrophobicContact CD2-CG 4.18Å; F505-P511 HydrophobicContact CE1-CB 3.84Å; F505-P511 HydrophobicContact CE1-CG 3.73Å; F505-P511 HydrophobicContact CE2-CG 3.97Å; F505-P511 HydrophobicContact CG-CG 4.18Å; F505-P511 HydrophobicContact CZ-CB 4.32Å; F505-P511 HydrophobicContact CZ-CG 3.74Å; F505-A576 HydrophobicContact CD2-CB 4.49Å; F505-A576 HydrophobicContact CE2-CB 4.18Å; F505-I577 WeakPolarHBondContact CB-O 3.47Å; F505-I577 WeakPolarHBondContact CD2-O 3.43Å; F505-I577 PolarHBondContact N-O 2.87Å; F505-I578 CarbonylContact O-C 3.57Å; F505-G579 PolarHBondContact O-N 2.92Å; F505-Y580 PolarHBondContact O-N 3.14Å; F505-M603 HydrophobicContact CD2-CE 3.8Å; F505-M603 HydrophobicContact CE2-CE 3.53Å
506	A	86.9	Confident	71.6	Confident	77 Å²	77	47.8 Å²	47.8	64%	0.636	28%	0.277	S	S	*	.			trans	-76.1	-18.6	173	0	0	0	0	0	113.5	Y580	A506-Y580 WeakPolarHBondContact CA-O 3.45Å
507	T	78.3	Confident	72.7	Confident	72 Å²	72	48.3 Å²	48.3	44%	0.442	29%	0.285	S	S	.	.			trans	-68.8	144.6	172.2	178.1	0	0	0	0	111	F505 G509 I578 G579	F505-T507 VanDerWaalsContact C-N 3.32Å; F505-T507 HydrophobicContact CB-CG2 4.03Å; T507-G509 WeakPolarHBondContact CG2-O 3.14Å; T507-G509 PolarHBondContact OG1-N 3.44Å; T507-G509 VanDerWaalsContact OG1-N 3.09Å; T507-I578 WeakPolarHBondContact O-CG2 3.49Å; T507-G579 WeakPolarHBondContact O-CA 3.49Å; T507-G579 PolarHBondContact O-N 3.23Å
508	S	75.6	Confident	73.9	Confident	78 Å²	78	44.4 Å²	44.4	55%	0.545	27%	0.273	S	S	.	.	S	Bend	trans	-86	-10.5	170.8	54.3	0	0	0	0	113.4
509	G	63.7	Low	75.1	Confident	34 Å²	34	47.4 Å²	47.4	35%	0.351	29%	0.287	S	S	.	.	S	Bend	trans	-88.1	160.8	172.4	0	0	0	0	0	112	T507	T507-G509 WeakPolarHBondContact CG2-O 3.14Å; T507-G509 PolarHBondContact OG1-N 3.44Å; T507-G509 VanDerWaalsContact OG1-N 3.09Å
510	L	67.7	Low	76.1	Confident	69 Å²	69	52.7 Å²	52.7	36%	0.361	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-68.6	131.1	172	-72.7	164.7	0	0	0	110.1	L516 I578 M603	L510-L516 HydrophobicContact CD1-CB 3.89Å; L510-L516 HydrophobicContact CD2-CB 3.83Å; L510-L516 HydrophobicContact CD2-CD1 4.41Å; L510-L516 HydrophobicContact CD2-CG 4.49Å; L510-I578 HydrophobicContact CD2-CD1 3.54Å; L510-M603 HydrophobicContact CD2-CG 4.34Å; L510-M603 HydrophobicContact CD2-SD 3.56Å; L510-M603 VanDerWaalsContact CD2-SD 3.56Å
511	P	66.6	Low	77	Confident	21 Å²	21	52.8 Å²	52.8	14%	0.136	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-69.4	149.2	176.1	28.8	-34.4	0	0	0	111.3	F505 R514 M603	F505-P511 HydrophobicContact CD1-CB 4.02Å; F505-P511 HydrophobicContact CD1-CG 3.95Å; F505-P511 HydrophobicContact CD2-CG 4.18Å; F505-P511 HydrophobicContact CE1-CB 3.84Å; F505-P511 HydrophobicContact CE1-CG 3.73Å; F505-P511 HydrophobicContact CE2-CG 3.97Å; F505-P511 HydrophobicContact CG-CG 4.18Å; F505-P511 HydrophobicContact CZ-CB 4.32Å; F505-P511 HydrophobicContact CZ-CG 3.74Å; P511-R514 HydrophobicContact CG-CB 4.26Å; P511-R514 HydrophobicContact CG-CG 3.9Å; P511-R514 WeakPolarHBondContact O-CB 3.32Å; P511-R514 PolarHBondContact O-N 2.88Å; P511-M603 HydrophobicContact CG-CE 4.16Å; P511-M603 HydrophobicContact CG-SD 4.26Å
512	F	56.4	Low	77.8	Confident	121 Å²	121	53.5 Å²	53.5	53%	0.531	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	142.2	-177.8	179.3	-113.2	0	0	0	112.9	R514 F697 T698	F512-R514 VanDerWaalsContact C-N 3.28Å; F512-R514 PolarHBondContact O-N 3.44Å; F512-F697 HydrophobicContact CE2-CB 4.14Å; F512-T698 HydrophobicContact CB-CG2 4.29Å; F512-T698 HydrophobicContact CD2-CG2 3.55Å; F512-T698 HydrophobicContact CE2-CG2 4.34Å; F512-T698 HydrophobicContact CG-CG2 4.34Å
513	G	58.8	Low	78.2	Confident	31 Å²	31	53.3 Å²	53.3	32%	0.32	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.2	19.6	-178.4	0	0	0	0	0	114.4	K605 V606	G513-K605 WeakPolarHBondContact O-CA 3.03Å; G513-V606 PolarHBondContact O-N 2.86Å
514	R	67.9	Low	78.6	Confident	26 Å²	26	54.7 Å²	54.7	10%	0.098	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	139.1	172.8	-60.9	-61.5	171.6	120	4.8	113.2	E503 P511 F512 M603 E604 K605	E503-R514 IonicContact OE1-CZ 3.34Å; E503-R514 IonicContact OE1-NH1 3.75Å; E503-R514 PolarHBondContact OE1-NH1 3.04Å; E503-R514 IonicContact OE1-NH2 2.71Å; E503-R514 PolarHBondContact OE1-NH2 2.68Å; E503-R514 IonicContact OE2-CZ 2.72Å; E503-R514 IonicContact OE2-NH1 3.38Å; E503-R514 IonicContact OE2-NH2 3.5Å; E503-R514 PolarHBondContact OE2-NH2 3.06Å; P511-R514 HydrophobicContact CG-CB 4.26Å; P511-R514 HydrophobicContact CG-CG 3.9Å; P511-R514 WeakPolarHBondContact O-CB 3.32Å; P511-R514 PolarHBondContact O-N 2.88Å; F512-R514 VanDerWaalsContact C-N 3.28Å; F512-R514 PolarHBondContact O-N 3.44Å; R514-M603 HydrophobicContact CB-CB 4.49Å; R514-M603 HydrophobicContact CB-SD 3.75Å; R514-M603 HydrophobicContact CG-SD 4.21Å; R514-E604 VanDerWaalsContact CA-O 3.26Å; R514-E604 WeakPolarHBondContact CA-O 3.47Å; R514-E604 VanDerWaalsContact CD-O 3.3Å; R514-E604 WeakPolarHBondContact CD-O 3.27Å; R514-K605 VanDerWaalsContact NH2-CE 3.29Å
515	A	68.4	Low	79	Confident	14 Å²	14	54.2 Å²	54.2	12%	0.116	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	140	167.1	0	0	0	0	0	109.1	M603 E604 V606 I705	A515-M603 CarbonylContact O-C 3.51Å; A515-M603 WeakPolarHBondContact O-CA 3.43Å; A515-M603 WeakPolarHBondContact O-CB 3.32Å; A515-E604 PolarHBondContact N-O 3.28Å; A515-E604 PolarHBondContact O-N 2.8Å; A515-V606 HydrophobicContact CB-CG2 3.55Å; A515-V606 VanDerWaalsContact N-CG2 3.31Å; A515-I705 HydrophobicContact CB-CG2 3.83Å
516	L	78	Confident	79.2	Confident	61 Å²	61	57.3 Å²	57.3	32%	0.319	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	111.9	170.9	-177	60.1	0	0	0	108.9	L510 A518 I519 V601 M603	L510-L516 HydrophobicContact CD1-CB 3.89Å; L510-L516 HydrophobicContact CD2-CB 3.83Å; L510-L516 HydrophobicContact CD2-CD1 4.41Å; L510-L516 HydrophobicContact CD2-CG 4.49Å; L516-A518 WeakPolarHBondContact CD1-O 3.37Å; L516-I519 HydrophobicContact CD1-CG1 4.33Å; L516-I519 HydrophobicContact CD2-CD1 4.28Å; L516-I519 HydrophobicContact CD2-CG1 3.94Å; L516-V601 HydrophobicContact CD1-CB 3.69Å; L516-V601 HydrophobicContact CD1-CG1 3.79Å; L516-V601 HydrophobicContact CD1-CG2 4.38Å; L516-M603 HydrophobicContact CD1-CG 4.32Å
517	L	77.4	Confident	79.5	Confident	90 Å²	90	54.2 Å²	54.2	47%	0.471	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-39.6	175.4	-61.8	-172.6	0	0	0	111.7	T602 E604	L517-T602 HydrophobicContact CB-CG2 4.3Å; L517-T602 HydrophobicContact CD1-CG2 4.37Å; L517-T602 PolarHBondContact N-O 2.9Å; L517-E604 HydrophobicContact CD1-CB 3.91Å; L517-E604 HydrophobicContact CD2-CB 4.32Å; L517-E604 HydrophobicContact CG-CB 4.04Å
518	A	80	Confident	80.2	Confident	34 Å²	34	53.6 Å²	53.6	28%	0.281	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	146.3	178.2	0	0	0	0	0	111.7	L516 V601 T602	L516-A518 WeakPolarHBondContact CD1-O 3.37Å; A518-V601 CarbonylContact O-C 3.53Å; A518-V601 WeakPolarHBondContact O-CA 3.49Å; A518-T602 PolarHBondContact N-O 2.86Å; A518-T602 PolarHBondContact O-N 3.38Å
519	I	89.4	Confident	80.9	Confident	73 Å²	73	53.6 Å²	53.6	37%	0.374	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	123.9	159.9	-60.4	168.7	0	0	0	106.5	L64 L516 T599 V601	L64-I519 HydrophobicContact CB-CG2 4.25Å; L516-I519 HydrophobicContact CD1-CG1 4.33Å; L516-I519 HydrophobicContact CD2-CD1 4.28Å; L516-I519 HydrophobicContact CD2-CG1 3.94Å; I519-T599 HydrophobicContact CG2-CG2 3.76Å; I519-V601 HydrophobicContact CG1-CG1 4.4Å
520	R	89	Confident	82	Confident	117 Å²	117	58 Å²	58	44%	0.442	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	-33.4	179.4	-62.1	-58.4	-169	154.7	6.9	112.2	M572 G573 A600 T602	R520-M572 HydrophobicContact CB-CB 4.21Å; R520-M572 HydrophobicContact CB-CE 4.21Å; R520-M572 VanDerWaalsContact CD-O 3.3Å; R520-M572 WeakPolarHBondContact CD-O 3.49Å; R520-M572 VanDerWaalsContact O-CE 3.27Å; R520-M572 WeakPolarHBondContact O-CE 3.39Å; R520-G573 VanDerWaalsContact CZ-O 3.24Å; R520-G573 PolarHBondContact NE-O 3.49Å; R520-G573 VanDerWaalsContact NE-O 3.11Å; R520-G573 PolarHBondContact NH2-O 2.98Å; R520-A600 WeakPolarHBondContact CA-O 3.38Å; R520-A600 HydrophobicContact CB-CB 4.01Å; R520-A600 WeakPolarHBondContact CB-O 3.23Å; R520-A600 PolarHBondContact N-O 2.91Å; R520-T602 PolarHBondContact NE-OG1 3.49Å; R520-T602 PolarHBondContact NH2-OG1 2.91Å
521	G	89.1	Confident	82.8	Confident	11 Å²	11	55.8 Å²	55.8	11%	0.113	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	148.6	-164.9	172.9	0	0	0	0	0	113.4	T599 A600	G521-T599 CarbonylContact O-C 3.41Å; G521-T599 WeakPolarHBondContact O-CA 3.34Å; G521-T599 WeakPolarHBondContact O-CG2 3.26Å; G521-A600 PolarHBondContact N-O 2.82Å; G521-A600 PolarHBondContact O-N 2.84Å
522	F	93.6	Very high	83.2	Confident	94 Å²	94	56.5 Å²	56.5	41%	0.412	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	142.4	171.4	177.3	-105.5	0	0	0	110.4	L64 D524 N597 G598	L64-F522 HydrophobicContact CD2-CB 4.43Å; F522-D524 HydrophobicContact CE1-CB 3.73Å; F522-D524 HydrophobicContact CZ-CB 3.73Å; F522-N597 HydrophobicContact CE2-CB 3.84Å; F522-N597 HydrophobicContact CZ-CB 3.77Å; F522-G598 WeakPolarHBondContact CD2-O 3.42Å
523	V	93.9	Very high	83.8	Confident	5 Å²	5	55 Å²	55	3%	0.03	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	135.8	169.9	-74.1	0	0	0	0	110.4	I565 K568 V569 M572 N597 G598 A600	V523-I565 HydrophobicContact CB-CG2 4.09Å; V523-I565 HydrophobicContact CG2-CG2 3.7Å; V523-K568 HydrophobicContact CG1-CB 4.32Å; V523-V569 HydrophobicContact CG1-CG2 4.16Å; V523-V569 HydrophobicContact CG2-CG2 3.91Å; V523-M572 HydrophobicContact CG1-SD 3.5Å; V523-M572 WeakPolarHBondContact CG1-SD 3.46Å; V523-N597 CarbonylContact O-C 3.58Å; V523-N597 VanDerWaalsContact O-CA 3.26Å; V523-N597 WeakPolarHBondContact O-CA 3.36Å; V523-G598 PolarHBondContact N-O 3.34Å; V523-G598 PolarHBondContact O-N 2.89Å; V523-A600 HydrophobicContact CG1-CB 3.8Å; V523-A600 HydrophobicContact CG2-CB 4.16Å
524	D	95.1	Very high	84	Confident	50 Å²	50	57.1 Å²	57.1	27%	0.267	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	164.6	166.3	74	-26	0	0	0	112.4	F522 K568 R595 G596 N597	F522-D524 HydrophobicContact CE1-CB 3.73Å; F522-D524 HydrophobicContact CZ-CB 3.73Å; D524-K568 PolarHBondContact O-NZ 2.85Å; D524-R595 IonicContact OD2-CZ 3.19Å; D524-R595 IonicContact OD2-NE 3.66Å; D524-R595 PolarHBondContact OD2-NE 3.07Å; D524-R595 IonicContact OD2-NH2 2.83Å; D524-R595 PolarHBondContact OD2-NH2 3.29Å; D524-G596 WeakPolarHBondContact CA-O 3.26Å; D524-G596 WeakPolarHBondContact CB-O 3.37Å; D524-N597 HydrophobicContact CB-CB 3.64Å
525	E	95.2	Very high	83.5	Confident	34 Å²	34	61.4 Å²	61.4	16%	0.159	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	155	175.1	178.4	66.6	175.2	0	0	108.9	I527 L561 R564 I565 K568 R595 G596	E525-I527 HydrophobicContact CG-CG1 4.35Å; E525-L561 HydrophobicContact CB-CD1 3.78Å; E525-L561 HydrophobicContact CG-CD1 3.9Å; E525-L561 WeakPolarHBondContact O-CD1 3.41Å; E525-R564 HydrophobicContact CG-CB 3.91Å; E525-R564 WeakPolarHBondContact OE1-CD 3.41Å; E525-R564 IonicContact OE1-CZ 3.73Å; E525-R564 IonicContact OE1-NE 2.93Å; E525-R564 IonicContact OE1-NH1 3.45Å; E525-R564 PolarHBondContact OE1-NH1 3.29Å; E525-I565 HydrophobicContact CB-CD1 4.02Å; E525-I565 HydrophobicContact CB-CG1 3.48Å; E525-I565 VanDerWaalsContact CB-CG1 3.48Å; E525-K568 WeakPolarHBondContact OE2-CE 3.44Å; E525-K568 IonicContact OE2-NZ 2.68Å; E525-K568 PolarHBondContact OE2-NZ 2.71Å; E525-R595 WeakPolarHBondContact O-CA 3.31Å; E525-R595 WeakPolarHBondContact O-CG 3.26Å; E525-G596 PolarHBondContact N-O 2.95Å; E525-G596 PolarHBondContact O-N 3.01Å
526	L	93.3	Very high	83.1	Confident	91 Å²	91	69.1 Å²	69.1	48%	0.476	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	134.3	174.6	-177.6	151.7	0	0	0	109.2	V593 I594 R595	L526-V593 HydrophobicContact CD1-CG1 3.84Å; L526-V593 HydrophobicContact CD2-CG1 3.81Å; L526-V593 HydrophobicContact CG-CG1 3.69Å; L526-I594 WeakPolarHBondContact CA-O 3.27Å; L526-R595 HydrophobicContact CB-CG 4.49Å; L526-R595 HydrophobicContact CD1-CB 4.46Å
527	I	93	Very high	82.2	Confident	12 Å²	12	68.1 Å²	68.1	6%	0.062	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	128.7	173.9	-52.2	-179	0	0	0	108	E525 M557 Q560 L561 I594	E525-I527 HydrophobicContact CG-CG1 4.35Å; I527-M557 HydrophobicContact CG2-CE 4.35Å; I527-M557 VanDerWaalsContact O-CE 3.3Å; I527-M557 WeakPolarHBondContact O-CE 3.44Å; I527-Q560 HydrophobicContact CD1-CB 3.7Å; I527-L561 HydrophobicContact CD1-CB 4.16Å; I527-L561 HydrophobicContact CG1-CD1 4.47Å; I527-I594 HydrophobicContact CB-CG2 3.89Å; I527-I594 PolarHBondContact N-O 2.69Å; I527-I594 PolarHBondContact O-N 2.75Å
528	A	91.4	Very high	81.6	Confident	59 Å²	59	65.6 Å²	65.6	49%	0.488	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	146.7	171.5	0	0	0	0	0	109.9	V592 V593	A528-V592 CarbonylContact C-O 3.55Å; A528-V592 WeakPolarHBondContact CA-O 3.42Å; A528-V593 HydrophobicContact CB-CG2 4.04Å
529	N	90.9	Very high	80.8	Confident	78 Å²	78	71 Å²	71	42%	0.417	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	164.2	170	-159.3	1.3	0	0	0	110	L553 M557 V592	N529-L553 HydrophobicContact CB-CD1 4.31Å; N529-L553 VanDerWaalsContact ND2-CD1 3.3Å; N529-L553 WeakPolarHBondContact ND2-CD1 3.36Å; N529-M557 HydrophobicContact CB-CE 4.05Å; N529-M557 HydrophobicContact CB-SD 3.86Å; N529-V592 PolarHBondContact N-O 2.7Å; N529-V592 PolarHBondContact O-N 2.99Å; N529-V592 VanDerWaalsContact O-O 3.11Å
530	N	87.5	Confident	79.5	Confident	127 Å²	127	73.8 Å²	73.8	68%	0.679	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.4	142.5	175.9	-61.5	-18.2	0	0	0	110.5	L553	N530-L553 WeakPolarHBondContact O-CD2 3.18Å
531	D	83.3	Confident	78.4	Confident	23 Å²	23	77.3 Å²	77.3	12%	0.123	38%	0.375	C	S	.	.			trans	-69.5	126.9	172.3	-166	5.5	0	0	0	110.3	E533 R550 S590 V592	D531-E533 PolarHBondContact O-N 2.66Å; D531-R550 WeakPolarHBondContact OD1-CG 3.37Å; D531-R550 IonicContact OD1-CZ 3.27Å; D531-R550 IonicContact OD1-NE 2.7Å; D531-R550 PolarHBondContact OD1-NE 2.83Å; D531-R550 IonicContact OD1-NH2 3.2Å; D531-R550 IonicContact OD2-CZ 3.92Å; D531-R550 IonicContact OD2-NE 2.82Å; D531-R550 PolarHBondContact OD2-NE 2.84Å; D531-R550 VanDerWaalsContact OD2-NE 3.11Å; D531-R550 IonicContact OD2-NH2 3.7Å; D531-R550 PolarHBondContact OD2-NH2 2.79Å; D531-S590 PolarHBondContact N-O 2.99Å; D531-V592 HydrophobicContact CB-CG2 3.83Å
532	P	76	Confident	77.6	Confident	36 Å²	36	80.8 Å²	80.8	23%	0.234	39%	0.394	C	S	.	.			trans	-77.2	58.4	175	33.1	-37.7	0	0	0	111.1	H534 A549 R550 L553	P532-H534 PolarHBondContact O-N 3.09Å; P532-A549 HydrophobicContact CB-CB 3.92Å; P532-A549 HydrophobicContact CG-CB 3.83Å; P532-R550 HydrophobicContact CG-CG 4.15Å; P532-L553 HydrophobicContact CG-CB 4.47Å; P532-L553 HydrophobicContact CG-CD2 4.26Å
533	E	68.8	Low	76.7	Confident	89 Å²	89	78.9 Å²	78.9	42%	0.416	39%	0.391	S	S	.	.			trans	-79.6	108.7	173.5	-176.4	146.4	-104.3	0	0	110.4	D531 E535 R550	D531-E533 PolarHBondContact O-N 2.66Å; E533-E535 HydrophobicContact CG-CG 4.16Å; E533-E535 PolarHBondContact O-N 3.36Å; E533-R550 IonicContact OE1-CZ 3.26Å; E533-R550 IonicContact OE1-NH1 3.92Å; E533-R550 PolarHBondContact OE1-NH1 2.81Å; E533-R550 IonicContact OE1-NH2 3.36Å; E533-R550 PolarHBondContact OE1-NH2 2.84Å; E533-R550 IonicContact OE2-NH2 3.3Å
534	H	63.1	Low	76.1	Confident	75 Å²	75	80.5 Å²	80.5	35%	0.347	40%	0.397	S	S	.	.			trans	-86	61.9	174.8	-60.4	-69.6	0	0	0	111.1	P532 W536 I537 D538 S546	P532-H534 PolarHBondContact O-N 3.09Å; H534-W536 PolarHBondContact O-N 3.14Å; H534-I537 HydrophobicContact CB-CB 3.88Å; H534-I537 HydrophobicContact CB-CD1 4.06Å; H534-I537 HydrophobicContact CB-CG1 4.21Å; H534-I537 WeakPolarHBondContact O-CA 3.47Å; H534-I537 PolarHBondContact O-N 3.21Å; H534-D538 PolarHBondContact O-N 3.35Å; H534-S546 WeakPolarHBondContact CB-OG 3.47Å; H534-S546 PolarHBondContact N-OG 3.38Å
535	E	57.3	Low	75.4	Confident	117 Å²	117	80.1 Å²	80.1	55%	0.547	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-40.7	-37.4	-176.3	-112.6	-151.1	-120.1	0	0	114.9	E533 K539	E533-E535 HydrophobicContact CG-CG 4.16Å; E533-E535 PolarHBondContact O-N 3.36Å; E535-K539 WeakPolarHBondContact O-CD 3.38Å; E535-K539 WeakPolarHBondContact O-CE 3.21Å; E535-K539 WeakPolarHBondContact O-CG 3.19Å; E535-K539 IonicContact OE2-NZ 3.72Å; E535-K539 PolarHBondContact OE2-NZ 3.47Å
536	W	60.6	Low	74.8	Confident	175 Å²	175	78.5 Å²	78.5	66%	0.663	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-30.1	-179	77.6	-91.4	0	0	0	113.7	H534 I540	H534-W536 PolarHBondContact O-N 3.14Å; W536-I540 HydrophobicContact CE3-CD1 4.09Å; W536-I540 HydrophobicContact CZ3-CD1 4.41Å; W536-I540 WeakPolarHBondContact O-CD1 3.28Å; W536-I540 WeakPolarHBondContact O-CG1 3.15Å
537	I	59.4	Low	74.5	Confident	41 Å²	41	76.5 Å²	76.5	21%	0.21	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-42.9	174.3	-67.8	177.5	0	0	0	109.2	H534 K539 I540 R541	H534-I537 HydrophobicContact CB-CB 3.88Å; H534-I537 HydrophobicContact CB-CD1 4.06Å; H534-I537 HydrophobicContact CB-CG1 4.21Å; H534-I537 WeakPolarHBondContact O-CA 3.47Å; H534-I537 PolarHBondContact O-N 3.21Å; I537-K539 PolarHBondContact O-N 2.85Å; I537-I540 CarbonylContact O-C 3.55Å; I537-I540 WeakPolarHBondContact O-CA 3.48Å; I537-I540 PolarHBondContact O-N 3.47Å; I537-R541 HydrophobicContact CG2-CB 4.31Å; I537-R541 PolarHBondContact O-N 3.41Å
538	D	63.8	Low	74.1	Confident	37 Å²	37	76.7 Å²	76.7	20%	0.198	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-12.5	-177.7	-62.1	-21.8	0	0	0	113.2	H534 R541 P543 S546	H534-D538 PolarHBondContact O-N 3.35Å; D538-R541 CarbonylContact C-O 3.58Å; D538-R541 WeakPolarHBondContact CA-O 3.28Å; D538-R541 VanDerWaalsContact O-O 3.12Å; D538-P543 HydrophobicContact CB-CB 4.48Å; D538-P543 WeakPolarHBondContact OD1-CA 3.35Å; D538-S546 VanDerWaalsContact CG-OG 3.26Å; D538-S546 PolarHBondContact OD1-OG 2.84Å; D538-S546 WeakPolarHBondContact OD2-CB 3.35Å; D538-S546 PolarHBondContact OD2-OG 3.26Å
539	K	63.9	Low	73.8	Confident	148 Å²	148	75.2 Å²	75.2	64%	0.643	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-10.7	168	-71.8	166.5	-163.2	168.9	0	113.5	E535 I537	E535-K539 WeakPolarHBondContact O-CD 3.38Å; E535-K539 WeakPolarHBondContact O-CE 3.21Å; E535-K539 WeakPolarHBondContact O-CG 3.19Å; E535-K539 IonicContact OE2-NZ 3.72Å; E535-K539 PolarHBondContact OE2-NZ 3.47Å; I537-K539 PolarHBondContact O-N 2.85Å
540	I	61.2	Low	73.6	Confident	130 Å²	130	73.5 Å²	73.5	67%	0.667	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.2	-21.6	-175.5	-60.3	175.5	0	0	0	111.6	W536 I537	W536-I540 HydrophobicContact CE3-CD1 4.09Å; W536-I540 HydrophobicContact CZ3-CD1 4.41Å; W536-I540 WeakPolarHBondContact O-CD1 3.28Å; W536-I540 WeakPolarHBondContact O-CG1 3.15Å; I537-I540 CarbonylContact O-C 3.55Å; I537-I540 WeakPolarHBondContact O-CA 3.48Å; I537-I540 PolarHBondContact O-N 3.47Å
541	R	66.5	Low	73.7	Confident	191 Å²	191	70.2 Å²	70.2	72%	0.721	34%	0.339	S	S	*	.	S	Bend	trans	-139.6	170.2	-178.6	-66.6	-173.2	171.6	-163.8	-4	110.4	I537 D538	I537-R541 HydrophobicContact CG2-CB 4.31Å; I537-R541 PolarHBondContact O-N 3.41Å; D538-R541 CarbonylContact C-O 3.58Å; D538-R541 WeakPolarHBondContact CA-O 3.28Å; D538-R541 VanDerWaalsContact O-O 3.12Å
542	T	70.9	Confident	74	Confident	85 Å²	85	70.6 Å²	70.6	52%	0.521	34%	0.342	S	S	.	.			trans	-61.5	143.9	174.1	55.5	0	0	0	0	112.1	R544	T542-R544 PolarHBondContact O-N 2.9Å
543	P	76	Confident	74.7	Confident	53 Å²	53	70 Å²	70	34%	0.344	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	7.1	179.6	29.8	-37	0	0	0	115.1	M473 D538 A545 S546 N547	M473-P543 HydrophobicContact SD-CG 4.08Å; D538-P543 HydrophobicContact CB-CB 4.48Å; D538-P543 WeakPolarHBondContact OD1-CA 3.35Å; P543-A545 PolarHBondContact O-N 3.28Å; P543-S546 PolarHBondContact O-N 3.05Å; P543-N547 WeakPolarHBondContact O-CB 3.21Å; P543-N547 PolarHBondContact O-N 2.76Å; P543-N547 PolarHBondContact O-ND2 3.33Å
544	R	81.6	Confident	75.7	Confident	39 Å²	39	68.5 Å²	68.5	15%	0.147	33%	0.33	C	S	.	.	H	α-helix	trans	-49.2	-39.9	173.4	-173.6	-173.8	-105.2	-179.6	-11.3	111.7	D443 A444 D471 M473 T542 N547 E548	D443-R544 IonicContact OD1-NH1 2.84Å; A444-R544 VanDerWaalsContact O-CZ 3.27Å; A444-R544 PolarHBondContact O-NH1 2.72Å; A444-R544 VanDerWaalsContact O-NH1 3.15Å; A444-R544 PolarHBondContact O-NH2 2.79Å; D471-R544 IonicContact OD1-CZ 2.71Å; D471-R544 IonicContact OD1-NE 2.66Å; D471-R544 PolarHBondContact OD1-NE 3.35Å; D471-R544 IonicContact OD1-NH2 2.69Å; D471-R544 PolarHBondContact OD1-NH2 3.03Å; D471-R544 IonicContact OD2-CZ 3.65Å; D471-R544 IonicContact OD2-NE 2.76Å; D471-R544 IonicContact OD2-NH2 2.75Å; D471-R544 PolarHBondContact OD2-NH2 2.87Å; M473-R544 HydrophobicContact CG-CB 3.91Å; M473-R544 HydrophobicContact CG-CG 4.34Å; M473-R544 HydrophobicContact SD-CB 4.45Å; T542-R544 PolarHBondContact O-N 2.9Å; R544-N547 PolarHBondContact O-N 2.72Å; R544-E548 HydrophobicContact CG-CG 4.49Å; R544-E548 WeakPolarHBondContact O-CB 3.35Å; R544-E548 WeakPolarHBondContact O-CG 3.42Å; R544-E548 PolarHBondContact O-N 2.71Å
545	A	79.2	Confident	77	Confident	42 Å²	42	66.5 Å²	66.5	35%	0.347	33%	0.326	S	S	.	.	H	α-helix	trans	-65.9	-55.4	-177.6	0	0	0	0	0	112.7	P543 N547 E548 A549	P543-A545 PolarHBondContact O-N 3.28Å; A545-N547 VanDerWaalsContact C-N 3.26Å; A545-N547 PolarHBondContact O-N 3.25Å; A545-E548 PolarHBondContact O-N 2.82Å; A545-A549 PolarHBondContact O-N 3.47Å
546	S	82.7	Confident	78.6	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-61.9	-34.5	175.5	-58.2	0	0	0	0	111.9	H534 D538 P543 A549 R550	H534-S546 WeakPolarHBondContact CB-OG 3.47Å; H534-S546 PolarHBondContact N-OG 3.38Å; D538-S546 VanDerWaalsContact CG-OG 3.26Å; D538-S546 PolarHBondContact OD1-OG 2.84Å; D538-S546 WeakPolarHBondContact OD2-CB 3.35Å; D538-S546 PolarHBondContact OD2-OG 3.26Å; P543-S546 PolarHBondContact O-N 3.05Å; S546-A549 PolarHBondContact O-N 3.33Å; S546-R550 WeakPolarHBondContact O-CB 3.48Å; S546-R550 VanDerWaalsContact O-CG 3.27Å; S546-R550 WeakPolarHBondContact O-CG 3.41Å; S546-R550 PolarHBondContact O-N 2.97Å
547	N	86.8	Confident	80.2	Confident	50 Å²	50	56 Å²	56	27%	0.267	28%	0.283	S	S	.	.	H	α-helix	trans	-69.2	-39.4	176	-68.4	-15.9	0	0	0	112.9	T472 P543 R544 A545 A549 Q551	T472-N547 HydrophobicContact CG2-CB 3.77Å; P543-N547 WeakPolarHBondContact O-CB 3.21Å; P543-N547 PolarHBondContact O-N 2.76Å; P543-N547 PolarHBondContact O-ND2 3.33Å; R544-N547 PolarHBondContact O-N 2.72Å; A545-N547 VanDerWaalsContact C-N 3.26Å; A545-N547 PolarHBondContact O-N 3.25Å; N547-A549 VanDerWaalsContact C-N 3.34Å; N547-Q551 WeakPolarHBondContact O-CG 3.41Å; N547-Q551 PolarHBondContact O-N 2.82Å
548	E	84.8	Confident	81.7	Confident	16 Å²	16	54.9 Å²	54.9	8%	0.075	28%	0.28	C	S	.	.	H	α-helix	trans	-64.3	-37.7	170.7	-76.2	-173.3	140.6	0	0	111.5	R432 R447 Y449 R544 A545 T552	R432-E548 IonicContact CZ-OE1 3.67Å; R432-E548 IonicContact CZ-OE2 2.79Å; R432-E548 IonicContact NE-OE1 2.66Å; R432-E548 PolarHBondContact NE-OE1 3.35Å; R432-E548 IonicContact NE-OE2 3.09Å; R432-E548 IonicContact NH2-OE1 3.66Å; R432-E548 PolarHBondContact NH2-OE1 3.29Å; R432-E548 IonicContact NH2-OE2 2.84Å; R432-E548 PolarHBondContact NH2-OE2 3.07Å; R447-E548 IonicContact CZ-OE1 3.12Å; R447-E548 IonicContact CZ-OE2 3.33Å; R447-E548 IonicContact NE-OE1 2.69Å; R447-E548 PolarHBondContact NE-OE1 3.08Å; R447-E548 IonicContact NE-OE2 3.63Å; R447-E548 IonicContact NH2-OE1 2.68Å; R447-E548 PolarHBondContact NH2-OE1 3.18Å; R447-E548 IonicContact NH2-OE2 3.82Å; R447-E548 PolarHBondContact NH2-OE2 3.24Å; Y449-E548 PolarHBondContact OH-O 3.13Å; R544-E548 HydrophobicContact CG-CG 4.49Å; R544-E548 WeakPolarHBondContact O-CB 3.35Å; R544-E548 WeakPolarHBondContact O-CG 3.42Å; R544-E548 PolarHBondContact O-N 2.71Å; A545-E548 PolarHBondContact O-N 2.82Å; E548-T552 WeakPolarHBondContact O-CB 3.33Å; E548-T552 PolarHBondContact O-N 2.58Å; E548-T552 VanDerWaalsContact O-N 3.12Å; E548-T552 PolarHBondContact O-OG1 3.49Å
549	A	85.2	Confident	83	Confident	27 Å²	27	53.7 Å²	53.7	22%	0.223	28%	0.276	C	S	.	.	H	α-helix	trans	-66.5	-46.5	176.1	0	0	0	0	0	112	P532 A545 S546 N547 T552 L553	P532-A549 HydrophobicContact CB-CB 3.92Å; P532-A549 HydrophobicContact CG-CB 3.83Å; A545-A549 PolarHBondContact O-N 3.47Å; S546-A549 PolarHBondContact O-N 3.33Å; N547-A549 VanDerWaalsContact C-N 3.34Å; A549-T552 WeakPolarHBondContact O-CB 3.43Å; A549-T552 PolarHBondContact O-N 3.47Å; A549-L553 PolarHBondContact O-N 2.74Å
550	R	87.6	Confident	84.3	Confident	42 Å²	42	48.8 Å²	48.8	16%	0.158	26%	0.255	C	S	.	.	H	α-helix	trans	-57.5	-47.3	173.9	-78.4	167	169.8	147.1	-6.4	112.3	D531 P532 E533 S546 T552 L553 F554	D531-R550 WeakPolarHBondContact OD1-CG 3.37Å; D531-R550 IonicContact OD1-CZ 3.27Å; D531-R550 IonicContact OD1-NE 2.7Å; D531-R550 PolarHBondContact OD1-NE 2.83Å; D531-R550 IonicContact OD1-NH2 3.2Å; D531-R550 IonicContact OD2-CZ 3.92Å; D531-R550 IonicContact OD2-NE 2.82Å; D531-R550 PolarHBondContact OD2-NE 2.84Å; D531-R550 VanDerWaalsContact OD2-NE 3.11Å; D531-R550 IonicContact OD2-NH2 3.7Å; D531-R550 PolarHBondContact OD2-NH2 2.79Å; P532-R550 HydrophobicContact CG-CG 4.15Å; E533-R550 IonicContact OE1-CZ 3.26Å; E533-R550 IonicContact OE1-NH1 3.92Å; E533-R550 PolarHBondContact OE1-NH1 2.81Å; E533-R550 IonicContact OE1-NH2 3.36Å; E533-R550 PolarHBondContact OE1-NH2 2.84Å; E533-R550 IonicContact OE2-NH2 3.3Å; S546-R550 WeakPolarHBondContact O-CB 3.48Å; S546-R550 VanDerWaalsContact O-CG 3.27Å; S546-R550 WeakPolarHBondContact O-CG 3.41Å; S546-R550 PolarHBondContact O-N 2.97Å; R550-T552 VanDerWaalsContact C-N 3.31Å; R550-T552 PolarHBondContact O-N 3.3Å; R550-L553 PolarHBondContact O-N 3.46Å; R550-F554 HydrophobicContact CB-CZ 4.32Å; R550-F554 WeakPolarHBondContact O-CD1 3.34Å; R550-F554 WeakPolarHBondContact O-CG 3.44Å; R550-F554 PolarHBondContact O-N 2.73Å
551	Q	89.5	Confident	85.9	Confident	58 Å²	58	42.6 Å²	42.6	27%	0.271	22%	0.224	S	C	.	.	H	α-helix	trans	-59.5	-41.8	175.8	-77.5	-172.2	-20.2	0	0	112.4	Y449 N547 F554 A555	Y449-Q551 HydrophobicContact CE2-CB 4.15Å; N547-Q551 WeakPolarHBondContact O-CG 3.41Å; N547-Q551 PolarHBondContact O-N 2.82Å; Q551-F554 PolarHBondContact O-N 2.98Å; Q551-A555 PolarHBondContact O-N 2.99Å; Q551-A555 VanDerWaalsContact O-N 3.12Å
552	T	89.1	Confident	87	Confident	31 Å²	31	35.5 Å²	35.5	19%	0.19	20%	0.199	C	C	.	.	H	α-helix	trans	-65.6	-42.5	177.4	-52.5	0	0	0	0	111.5	Y449 E548 A549 R550 K556	Y449-T552 PolarHBondContact OH-OG1 3.21Å; E548-T552 WeakPolarHBondContact O-CB 3.33Å; E548-T552 PolarHBondContact O-N 2.58Å; E548-T552 VanDerWaalsContact O-N 3.12Å; E548-T552 PolarHBondContact O-OG1 3.49Å; A549-T552 WeakPolarHBondContact O-CB 3.43Å; A549-T552 PolarHBondContact O-N 3.47Å; R550-T552 VanDerWaalsContact C-N 3.31Å; R550-T552 PolarHBondContact O-N 3.3Å; T552-K556 PolarHBondContact O-N 2.92Å; T552-K556 VanDerWaalsContact O-N 3.15Å
553	L	89.9	Confident	87.9	Confident	23 Å²	23	33.2 Å²	33.2	12%	0.12	18%	0.181	C	C	.	.	H	α-helix	trans	-62.9	-47.6	174.8	174	61.8	0	0	0	112	N529 N530 P532 A549 R550 A555 K556 M557 V592	N529-L553 HydrophobicContact CB-CD1 4.31Å; N529-L553 VanDerWaalsContact ND2-CD1 3.3Å; N529-L553 WeakPolarHBondContact ND2-CD1 3.36Å; N530-L553 WeakPolarHBondContact O-CD2 3.18Å; P532-L553 HydrophobicContact CG-CB 4.47Å; P532-L553 HydrophobicContact CG-CD2 4.26Å; A549-L553 PolarHBondContact O-N 2.74Å; R550-L553 PolarHBondContact O-N 3.46Å; L553-A555 VanDerWaalsContact C-N 3.32Å; L553-A555 PolarHBondContact O-N 3.36Å; L553-K556 PolarHBondContact O-N 3.49Å; L553-K556 VanDerWaalsContact O-N 3.15Å; L553-M557 HydrophobicContact CD1-CG 3.67Å; L553-M557 HydrophobicContact CD1-SD 3.64Å; L553-M557 HydrophobicContact CD2-SD 4.07Å; L553-M557 HydrophobicContact CG-CG 4.15Å; L553-M557 HydrophobicContact CG-SD 3.68Å; L553-M557 WeakPolarHBondContact O-CB 3.39Å; L553-M557 WeakPolarHBondContact O-CG 3.2Å; L553-M557 PolarHBondContact O-N 2.81Å; L553-V592 HydrophobicContact CD2-CG2 4.35Å
554	F	91.4	Very high	88.7	Confident	59 Å²	59	36.1 Å²	36.1	26%	0.259	19%	0.185	S	C	.	.	H	α-helix	trans	-61.3	-41.9	-178.3	-65.6	-7.5	0	0	0	111.6	R550 Q551 M557 A558 F584 F586 V592	R550-F554 HydrophobicContact CB-CZ 4.32Å; R550-F554 WeakPolarHBondContact O-CD1 3.34Å; R550-F554 WeakPolarHBondContact O-CG 3.44Å; R550-F554 PolarHBondContact O-N 2.73Å; Q551-F554 PolarHBondContact O-N 2.98Å; F554-M557 PolarHBondContact O-N 2.84Å; F554-A558 WeakPolarHBondContact O-CB 3.22Å; F554-A558 PolarHBondContact O-N 3.31Å; F554-F584 HydrophobicContact CB-CE1 3.85Å; F554-F584 HydrophobicContact CB-CZ 3.8Å; F554-F584 HydrophobicContact CD1-CD1 4.23Å; F554-F584 AromaticContact CD1-CE1 3.97Å; F554-F584 HydrophobicContact CD1-CE1 3.97Å; F554-F584 HydrophobicContact CG-CD1 4.39Å; F554-F584 AromaticContact CG-CE1 3.97Å; F554-F584 HydrophobicContact CG-CE1 3.97Å; F554-F584 HydrophobicContact CG-CZ 4.3Å; F554-F584 WeakPolarHBondContact O-CZ 3.3Å; F554-F586 HydrophobicContact CZ-CZ 4.36Å; F554-V592 HydrophobicContact CD1-CG1 4.02Å; F554-V592 HydrophobicContact CE1-CG1 3.64Å; F554-V592 HydrophobicContact CE1-CG2 4.01Å
555	A	90.4	Very high	89.2	Confident	32 Å²	32	34.2 Å²	34.2	26%	0.264	18%	0.178	S	C	.	.	H	α-helix	trans	-60.4	-45.5	174.4	0	0	0	0	0	111.6	C428 Q551 L553 A558 G559	C428-A555 HydrophobicContact CB-CB 4.29Å; C428-A555 VanDerWaalsContact SG-CB 3.5Å; Q551-A555 PolarHBondContact O-N 2.99Å; Q551-A555 VanDerWaalsContact O-N 3.12Å; L553-A555 VanDerWaalsContact C-N 3.32Å; L553-A555 PolarHBondContact O-N 3.36Å; A555-A558 PolarHBondContact O-N 3.35Å; A555-G559 PolarHBondContact O-N 3.39Å; A555-G559 VanDerWaalsContact O-N 3.08Å
556	K	91	Very high	89.8	Confident	71 Å²	71	32.2 Å²	32.2	31%	0.309	16%	0.162	S	C	.	.	H	α-helix	trans	-64.2	-43.5	178.1	-175.9	166.6	-171.7	153.1	0	113.4	D426 E427 T552 L553 A558 G559 Q560	D426-K556 WeakPolarHBondContact O-CA 3.46Å; E427-K556 WeakPolarHBondContact OE1-CD 3.26Å; E427-K556 VanDerWaalsContact OE1-CE 3.32Å; E427-K556 WeakPolarHBondContact OE1-CE 3.36Å; E427-K556 IonicContact OE1-NZ 3.67Å; E427-K556 PolarHBondContact OE1-NZ 3Å; T552-K556 PolarHBondContact O-N 2.92Å; T552-K556 VanDerWaalsContact O-N 3.15Å; L553-K556 PolarHBondContact O-N 3.49Å; L553-K556 VanDerWaalsContact O-N 3.15Å; K556-A558 VanDerWaalsContact C-N 3.3Å; K556-A558 PolarHBondContact O-N 2.83Å; K556-G559 PolarHBondContact O-N 2.84Å; K556-Q560 WeakPolarHBondContact O-CB 3.45Å; K556-Q560 WeakPolarHBondContact O-CG 3.25Å; K556-Q560 PolarHBondContact O-N 2.95Å
557	M	92.6	Very high	90	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-64.4	-34.4	176.6	-72.8	-179.5	73.6	0	0	112	I527 N529 L553 F554 L561 F584 V592 I594	I527-M557 HydrophobicContact CG2-CE 4.35Å; I527-M557 VanDerWaalsContact O-CE 3.3Å; I527-M557 WeakPolarHBondContact O-CE 3.44Å; N529-M557 HydrophobicContact CB-CE 4.05Å; N529-M557 HydrophobicContact CB-SD 3.86Å; L553-M557 HydrophobicContact CD1-CG 3.67Å; L553-M557 HydrophobicContact CD1-SD 3.64Å; L553-M557 HydrophobicContact CD2-SD 4.07Å; L553-M557 HydrophobicContact CG-CG 4.15Å; L553-M557 HydrophobicContact CG-SD 3.68Å; L553-M557 WeakPolarHBondContact O-CB 3.39Å; L553-M557 WeakPolarHBondContact O-CG 3.2Å; L553-M557 PolarHBondContact O-N 2.81Å; F554-M557 PolarHBondContact O-N 2.84Å; M557-L561 WeakPolarHBondContact O-CB 3.49Å; M557-L561 PolarHBondContact O-N 2.87Å; M557-F584 HydrophobicContact CB-CE1 4.47Å; M557-V592 HydrophobicContact CE-CG1 4.09Å; M557-V592 HydrophobicContact SD-CB 4.37Å; M557-V592 HydrophobicContact SD-CG1 3.84Å; M557-I594 HydrophobicContact CB-CG2 4.07Å; M557-I594 HydrophobicContact CE-CB 4.24Å; M557-I594 HydrophobicContact CE-CG2 3.94Å
558	A	92.5	Very high	90.3	Very high	17 Å²	17	36.7 Å²	36.7	14%	0.14	18%	0.179	C	C	.	.	H	α-helix	trans	-68.7	-42.5	174.8	0	0	0	0	0	112.6	F554 A555 K556 L561 M562 F584 I594	F554-A558 WeakPolarHBondContact O-CB 3.22Å; F554-A558 PolarHBondContact O-N 3.31Å; A555-A558 PolarHBondContact O-N 3.35Å; K556-A558 VanDerWaalsContact C-N 3.3Å; K556-A558 PolarHBondContact O-N 2.83Å; A558-L561 PolarHBondContact O-N 3.37Å; A558-M562 WeakPolarHBondContact O-CB 3.18Å; A558-M562 PolarHBondContact O-N 2.85Å; A558-F584 HydrophobicContact CB-CZ 4.48Å; A558-I594 HydrophobicContact CB-CD1 4.04Å
559	G	90.4	Very high	90.7	Very high	12 Å²	12	36 Å²	36	12%	0.124	18%	0.175	C	C	.	.	H	α-helix	trans	-58.7	-51.9	173	0	0	0	0	0	112	Q425 A555 K556 L561 M562 R563	Q425-G559 CarbonylContact O-C 3.57Å; Q425-G559 WeakPolarHBondContact O-CA 3.35Å; A555-G559 PolarHBondContact O-N 3.39Å; A555-G559 VanDerWaalsContact O-N 3.08Å; K556-G559 PolarHBondContact O-N 2.84Å; G559-L561 PolarHBondContact O-N 2.88Å; G559-M562 PolarHBondContact O-N 2.81Å; G559-M562 VanDerWaalsContact O-N 3.15Å; G559-R563 PolarHBondContact O-N 3.18Å
560	Q	91.7	Very high	90.9	Very high	45 Å²	45	37.8 Å²	37.8	21%	0.21	19%	0.186	C	C	.	.	H	α-helix	trans	-57.5	-43.8	176.5	-77.1	-177.1	-14.7	0	0	113.3	D426 I527 K556 R563 R564	D426-Q560 HydrophobicContact CB-CG 3.86Å; D426-Q560 WeakPolarHBondContact OD1-CG 3.46Å; D426-Q560 WeakPolarHBondContact OD2-CG 3.31Å; D426-Q560 PolarHBondContact OD2-NE2 3.24Å; I527-Q560 HydrophobicContact CD1-CB 3.7Å; K556-Q560 WeakPolarHBondContact O-CB 3.45Å; K556-Q560 WeakPolarHBondContact O-CG 3.25Å; K556-Q560 PolarHBondContact O-N 2.95Å; Q560-R563 PolarHBondContact O-N 3.05Å; Q560-R564 WeakPolarHBondContact O-CG 3.35Å; Q560-R564 PolarHBondContact O-N 3.22Å
561	L	93.3	Very high	91	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62.1	-45.1	176.8	177.7	69.9	0	0	0	111.2	E525 I527 M557 A558 G559 R564 I565 Q582 I594	E525-L561 HydrophobicContact CB-CD1 3.78Å; E525-L561 HydrophobicContact CG-CD1 3.9Å; E525-L561 WeakPolarHBondContact O-CD1 3.41Å; I527-L561 HydrophobicContact CD1-CB 4.16Å; I527-L561 HydrophobicContact CG1-CD1 4.47Å; M557-L561 WeakPolarHBondContact O-CB 3.49Å; M557-L561 PolarHBondContact O-N 2.87Å; A558-L561 PolarHBondContact O-N 3.37Å; G559-L561 PolarHBondContact O-N 2.88Å; L561-R564 PolarHBondContact O-N 2.87Å; L561-I565 HydrophobicContact CD1-CD1 3.85Å; L561-I565 HydrophobicContact CD1-CG1 4.4Å; L561-I565 HydrophobicContact CG-CD1 3.95Å; L561-I565 VanDerWaalsContact O-CG1 3.32Å; L561-I565 WeakPolarHBondContact O-CG1 3.31Å; L561-I565 PolarHBondContact O-N 2.84Å; L561-Q582 HydrophobicContact CD2-CB 4.07Å; L561-I594 HydrophobicContact CB-CD1 4.32Å; L561-I594 HydrophobicContact CB-CG2 4.17Å; L561-I594 HydrophobicContact CD1-CG2 4.46Å; L561-I594 HydrophobicContact CD2-CB 4.42Å; L561-I594 HydrophobicContact CD2-CD1 3.5Å; L561-I594 HydrophobicContact CD2-CG1 3.7Å; L561-I594 HydrophobicContact CD2-CG2 4.06Å; L561-I594 HydrophobicContact CG-CG2 4.47Å
562	M	90.7	Very high	91	Very high	42 Å²	42	42.7 Å²	42.7	21%	0.207	21%	0.212	C	C	.	.	H	α-helix	trans	-64.8	-44.4	179	-169.1	172.5	-68.3	0	0	111.5	V504 A558 G559 R564 I565 G566 Y580	V504-M562 HydrophobicContact CB-SD 4.38Å; V504-M562 HydrophobicContact CG1-CE 4.27Å; V504-M562 HydrophobicContact CG2-CG 4.03Å; V504-M562 HydrophobicContact CG2-SD 3.97Å; A558-M562 WeakPolarHBondContact O-CB 3.18Å; A558-M562 PolarHBondContact O-N 2.85Å; G559-M562 PolarHBondContact O-N 2.81Å; G559-M562 VanDerWaalsContact O-N 3.15Å; M562-R564 PolarHBondContact O-N 3Å; M562-I565 PolarHBondContact O-N 2.88Å; M562-G566 PolarHBondContact O-N 3.23Å; M562-Y580 HydrophobicContact CE-CE1 3.87Å
563	R	89.3	Confident	91	Very high	38 Å²	38	43 Å²	43	14%	0.143	22%	0.221	C	C	.	.	H	α-helix	trans	-57.1	-48.5	174.8	178.6	160.7	72.8	110.3	-11.9	112	Q425 D426 E497 G559 Q560 G566 K567	Q425-R563 HydrophobicContact CB-CB 4.27Å; Q425-R563 VanDerWaalsContact OE1-CG 3.27Å; D426-R563 IonicContact OD1-CZ 3.87Å; D426-R563 IonicContact OD1-NE 2.7Å; D426-R563 PolarHBondContact OD1-NE 2.95Å; D426-R563 IonicContact OD1-NH2 2.89Å; D426-R563 PolarHBondContact OD1-NH2 2.91Å; D426-R563 IonicContact OD2-CZ 2.72Å; D426-R563 IonicContact OD2-NE 3.8Å; D426-R563 IonicContact OD2-NH2 2.76Å; D426-R563 PolarHBondContact OD2-NH2 2.9Å; E497-R563 WeakPolarHBondContact O-CD 3.47Å; E497-R563 PolarHBondContact O-NH1 3.11Å; E497-R563 IonicContact OE2-CZ 2.64Å; E497-R563 IonicContact OE2-NH1 3.48Å; E497-R563 PolarHBondContact OE2-NH1 2.9Å; G559-R563 PolarHBondContact O-N 3.18Å; Q560-R563 PolarHBondContact O-N 3.05Å; R563-G566 PolarHBondContact O-N 3.33Å; R563-K567 PolarHBondContact O-N 2.94Å
564	R	92.2	Very high	90.9	Very high	113 Å²	113	42.2 Å²	42.2	43%	0.426	22%	0.219	S	C	.	.	H	α-helix	trans	-65.7	-42.6	-179.8	-71.2	-171.5	-168.3	-170.7	2.5	113.4	E525 Q560 L561 M562 G566 K567 K568	E525-R564 HydrophobicContact CG-CB 3.91Å; E525-R564 WeakPolarHBondContact OE1-CD 3.41Å; E525-R564 IonicContact OE1-CZ 3.73Å; E525-R564 IonicContact OE1-NE 2.93Å; E525-R564 IonicContact OE1-NH1 3.45Å; E525-R564 PolarHBondContact OE1-NH1 3.29Å; Q560-R564 WeakPolarHBondContact O-CG 3.35Å; Q560-R564 PolarHBondContact O-N 3.22Å; L561-R564 PolarHBondContact O-N 2.87Å; M562-R564 PolarHBondContact O-N 3Å; R564-G566 VanDerWaalsContact C-N 3.33Å; R564-K567 PolarHBondContact O-N 2.96Å; R564-K568 PolarHBondContact O-N 3.13Å; R564-K568 VanDerWaalsContact O-N 3.12Å
565	I	93.2	Very high	90.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-66.2	-40.3	175.9	-63.5	171.6	0	0	0	109.8	V523 E525 L561 M562 K567 K568 V569 I577 Y580 G596	V523-I565 HydrophobicContact CB-CG2 4.09Å; V523-I565 HydrophobicContact CG2-CG2 3.7Å; E525-I565 HydrophobicContact CB-CD1 4.02Å; E525-I565 HydrophobicContact CB-CG1 3.48Å; E525-I565 VanDerWaalsContact CB-CG1 3.48Å; L561-I565 HydrophobicContact CD1-CD1 3.85Å; L561-I565 HydrophobicContact CD1-CG1 4.4Å; L561-I565 HydrophobicContact CG-CD1 3.95Å; L561-I565 VanDerWaalsContact O-CG1 3.32Å; L561-I565 WeakPolarHBondContact O-CG1 3.31Å; L561-I565 PolarHBondContact O-N 2.84Å; M562-I565 PolarHBondContact O-N 2.88Å; I565-K567 PolarHBondContact O-N 2.85Å; I565-K568 PolarHBondContact O-N 2.64Å; I565-V569 HydrophobicContact CG2-CG2 4.48Å; I565-V569 WeakPolarHBondContact O-CG2 3.5Å; I565-V569 PolarHBondContact O-N 2.84Å; I565-I577 HydrophobicContact CB-CD1 4.43Å; I565-I577 HydrophobicContact CG2-CD1 3.62Å; I565-Y580 HydrophobicContact CD1-CE2 3.98Å; I565-G596 WeakPolarHBondContact CD1-O 3.1Å
566	G	90.9	Very high	90.8	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-58.2	-44.9	173.3	0	0	0	0	0	112.7	M562 R563 R564 K568 V569 S570	M562-G566 PolarHBondContact O-N 3.23Å; R563-G566 PolarHBondContact O-N 3.33Å; R564-G566 VanDerWaalsContact C-N 3.33Å; G566-K568 PolarHBondContact O-N 2.99Å; G566-V569 WeakPolarHBondContact O-CB 3.37Å; G566-V569 PolarHBondContact O-N 3.47Å; G566-V569 VanDerWaalsContact O-N 3.11Å; G566-S570 PolarHBondContact O-N 2.91Å
567	K	88.6	Confident	90.8	Very high	74 Å²	74	37.4 Å²	37.4	32%	0.322	20%	0.195	S	C	.	.	H	α-helix	trans	-58.8	-46.1	175.3	-176.4	160	-178.7	152.8	0	112.3	R496 R563 R564 I565 V569 S570 E571	R496-K567 PolarHBondContact O-NZ 2.89Å; R496-K567 VanDerWaalsContact O-NZ 3.08Å; R563-K567 PolarHBondContact O-N 2.94Å; R564-K567 PolarHBondContact O-N 2.96Å; I565-K567 PolarHBondContact O-N 2.85Å; K567-V569 VanDerWaalsContact C-N 3.3Å; K567-V569 PolarHBondContact O-N 2.84Å; K567-S570 WeakPolarHBondContact O-CB 3.19Å; K567-S570 PolarHBondContact O-N 2.84Å; K567-S570 VanDerWaalsContact O-N 3.14Å; K567-E571 WeakPolarHBondContact CE-OE1 3.42Å; K567-E571 HydrophobicContact CG-CG 4.48Å; K567-E571 WeakPolarHBondContact CG-OE1 3.43Å; K567-E571 WeakPolarHBondContact O-CG 3.17Å; K567-E571 PolarHBondContact O-N 2.9Å
568	K	93	Very high	90.7	Very high	70 Å²	70	37.9 Å²	37.9	30%	0.304	20%	0.197	S	C	.	.	H	α-helix	trans	-58.4	-39.2	173.3	-67.1	-176.9	-171.4	-179.6	0	112.7	V523 D524 E525 R564 I565 G566 E571 M572	V523-K568 HydrophobicContact CG1-CB 4.32Å; D524-K568 PolarHBondContact O-NZ 2.85Å; E525-K568 WeakPolarHBondContact OE2-CE 3.44Å; E525-K568 IonicContact OE2-NZ 2.68Å; E525-K568 PolarHBondContact OE2-NZ 2.71Å; R564-K568 PolarHBondContact O-N 3.13Å; R564-K568 VanDerWaalsContact O-N 3.12Å; I565-K568 PolarHBondContact O-N 2.64Å; G566-K568 PolarHBondContact O-N 2.99Å; K568-E571 PolarHBondContact O-N 2.88Å; K568-M572 VanDerWaalsContact O-CG 3.26Å; K568-M572 WeakPolarHBondContact O-CG 3.49Å; K568-M572 PolarHBondContact O-N 3.33Å
569	V	92.8	Very high	90.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-63.5	-43.4	176.8	175.2	0	0	0	0	110.7	I502 V523 I565 G566 K567 M572 G573 G574 I577 A600	I502-V569 HydrophobicContact CD1-CG1 4.25Å; I502-V569 HydrophobicContact CG2-CB 4.09Å; I502-V569 HydrophobicContact CG2-CG1 3.88Å; I502-V569 HydrophobicContact CG2-CG2 4.49Å; V523-V569 HydrophobicContact CG1-CG2 4.16Å; V523-V569 HydrophobicContact CG2-CG2 3.91Å; I565-V569 HydrophobicContact CG2-CG2 4.48Å; I565-V569 WeakPolarHBondContact O-CG2 3.5Å; I565-V569 PolarHBondContact O-N 2.84Å; G566-V569 WeakPolarHBondContact O-CB 3.37Å; G566-V569 PolarHBondContact O-N 3.47Å; G566-V569 VanDerWaalsContact O-N 3.11Å; K567-V569 VanDerWaalsContact C-N 3.3Å; K567-V569 PolarHBondContact O-N 2.84Å; V569-M572 CarbonylContact O-C 3.5Å; V569-M572 PolarHBondContact O-N 2.92Å; V569-G573 PolarHBondContact O-N 2.88Å; V569-G574 WeakPolarHBondContact O-CA 3.37Å; V569-G574 PolarHBondContact O-N 3.32Å; V569-I577 HydrophobicContact CG2-CD1 3.97Å; V569-I577 HydrophobicContact CG2-CG1 3.53Å; V569-A600 HydrophobicContact CB-CB 4.33Å; V569-A600 HydrophobicContact CG1-CB 4.08Å; V569-A600 HydrophobicContact CG2-CB 3.88Å
570	S	89.3	Confident	90.6	Very high	65 Å²	65	38 Å²	38	46%	0.455	20%	0.196	S	C	.	.	H	α-helix	trans	-62.9	-44.3	175.5	-165.6	0	0	0	0	111.9	G566 K567 M572 G573	G566-S570 PolarHBondContact O-N 2.91Å; K567-S570 WeakPolarHBondContact O-CB 3.19Å; K567-S570 PolarHBondContact O-N 2.84Å; K567-S570 VanDerWaalsContact O-N 3.14Å; S570-M572 PolarHBondContact O-N 2.87Å; S570-G573 WeakPolarHBondContact O-CA 3.28Å; S570-G573 PolarHBondContact O-N 2.91Å
571	E	89.6	Confident	90.6	Very high	133 Å²	133	42.3 Å²	42.3	62%	0.621	21%	0.21	S	C	*	.	H	α-helix	trans	-61.8	-30.7	175.9	-70.8	166.1	177.9	0	0	112.1	K567 K568 G573	K567-E571 WeakPolarHBondContact CE-OE1 3.42Å; K567-E571 HydrophobicContact CG-CG 4.48Å; K567-E571 WeakPolarHBondContact CG-OE1 3.43Å; K567-E571 WeakPolarHBondContact O-CG 3.17Å; K567-E571 PolarHBondContact O-N 2.9Å; K568-E571 PolarHBondContact O-N 2.88Å; E571-G573 VanDerWaalsContact C-N 3.28Å; E571-G573 PolarHBondContact O-N 3.29Å
572	M	90	Very high	90.6	Very high	71 Å²	71	45.9 Å²	45.9	35%	0.35	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	3.3	172.1	-66.8	173.9	71.6	0	0	114.1	R520 V523 K568 V569 S570 G574 A600	R520-M572 HydrophobicContact CB-CB 4.21Å; R520-M572 HydrophobicContact CB-CE 4.21Å; R520-M572 VanDerWaalsContact CD-O 3.3Å; R520-M572 WeakPolarHBondContact CD-O 3.49Å; R520-M572 VanDerWaalsContact O-CE 3.27Å; R520-M572 WeakPolarHBondContact O-CE 3.39Å; V523-M572 HydrophobicContact CG1-SD 3.5Å; V523-M572 WeakPolarHBondContact CG1-SD 3.46Å; K568-M572 VanDerWaalsContact O-CG 3.26Å; K568-M572 WeakPolarHBondContact O-CG 3.49Å; K568-M572 PolarHBondContact O-N 3.33Å; V569-M572 CarbonylContact O-C 3.5Å; V569-M572 PolarHBondContact O-N 2.92Å; S570-M572 PolarHBondContact O-N 2.87Å; M572-G574 VanDerWaalsContact C-N 3.25Å; M572-G574 PolarHBondContact O-N 2.88Å; M572-A600 HydrophobicContact CE-CB 4.45Å; M572-A600 HydrophobicContact SD-CB 4.38Å
573	G	87.4	Confident	90.7	Very high	36 Å²	36	49.4 Å²	49.4	37%	0.371	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	70	18.2	-176.3	0	0	0	0	0	114.4	R520 V569 S570 E571 T602	R520-G573 VanDerWaalsContact CZ-O 3.24Å; R520-G573 PolarHBondContact NE-O 3.49Å; R520-G573 VanDerWaalsContact NE-O 3.11Å; R520-G573 PolarHBondContact NH2-O 2.98Å; V569-G573 PolarHBondContact O-N 2.88Å; S570-G573 WeakPolarHBondContact O-CA 3.28Å; S570-G573 PolarHBondContact O-N 2.91Å; E571-G573 VanDerWaalsContact C-N 3.28Å; E571-G573 PolarHBondContact O-N 3.29Å; G573-T602 PolarHBondContact O-OG1 2.82Å
574	G	89.5	Confident	90.7	Very high	8 Å²	8	51.4 Å²	51.4	8%	0.082	25%	0.248	C	C	.	.			trans	-83.1	162.8	169.2	0	0	0	0	0	111.7	V569 M572 V601	V569-G574 WeakPolarHBondContact O-CA 3.37Å; V569-G574 PolarHBondContact O-N 3.32Å; M572-G574 VanDerWaalsContact C-N 3.25Å; M572-G574 PolarHBondContact O-N 2.88Å; G574-V601 CarbonylContact C-O 3.52Å; G574-V601 WeakPolarHBondContact CA-O 3.37Å
575	N	88.8	Confident	90.5	Very high	59 Å²	59	51.6 Å²	51.6	32%	0.316	26%	0.258	S	S	.	.			trans	-131.5	7	173.1	68.1	-10	0	0	0	112.9	I502 E503 V601 T602 M603	I502-N575 WeakPolarHBondContact CA-O 3.43Å; E503-N575 PolarHBondContact N-O 2.8Å; N575-V601 PolarHBondContact N-O 3.11Å; N575-T602 WeakPolarHBondContact OD1-CA 3.46Å; N575-M603 PolarHBondContact ND2-O 3.27Å; N575-M603 PolarHBondContact OD1-N 2.82Å; N575-M603 PolarHBondContact OD1-O 3.16Å
576	A	90	Very high	90	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.008	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	161	176	0	0	0	0	0	112.4	E503 F505 V601 M603	E503-A576 HydrophobicContact CB-CB 4.22Å; E503-A576 CarbonylContact O-C 3.56Å; E503-A576 WeakPolarHBondContact O-CA 3.24Å; E503-A576 VanDerWaalsContact O-CB 3.23Å; E503-A576 WeakPolarHBondContact O-CB 3.43Å; F505-A576 HydrophobicContact CD2-CB 4.49Å; F505-A576 HydrophobicContact CE2-CB 4.18Å; A576-V601 HydrophobicContact CB-CG2 3.89Å; A576-V601 PolarHBondContact N-O 2.92Å; A576-V601 WeakPolarHBondContact O-CG2 3.34Å; A576-V601 PolarHBondContact O-N 3.39Å; A576-M603 HydrophobicContact CB-CE 3.37Å
577	I	92.1	Very high	89.4	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	128.1	172.5	-53.7	167.9	0	0	0	108.7	I502 E503 V504 F505 I565 V569 Y580 T599	I502-I577 HydrophobicContact CG2-CD1 4.35Å; I502-I577 HydrophobicContact CG2-CG1 4.11Å; E503-I577 PolarHBondContact O-N 3.26Å; V504-I577 HydrophobicContact CG1-CB 4.39Å; V504-I577 HydrophobicContact CG1-CD1 4.28Å; V504-I577 HydrophobicContact CG2-CD1 4.08Å; F505-I577 WeakPolarHBondContact CB-O 3.47Å; F505-I577 WeakPolarHBondContact CD2-O 3.43Å; F505-I577 PolarHBondContact N-O 2.87Å; I565-I577 HydrophobicContact CB-CD1 4.43Å; I565-I577 HydrophobicContact CG2-CD1 3.62Å; V569-I577 HydrophobicContact CG2-CD1 3.97Å; V569-I577 HydrophobicContact CG2-CG1 3.53Å; I577-Y580 HydrophobicContact CD1-CD2 4.28Å; I577-Y580 HydrophobicContact CG2-CD2 4.22Å; I577-T599 WeakPolarHBondContact CA-O 3.45Å
578	I	90.3	Very high	88.7	Confident	12 Å²	12	63.3 Å²	63.3	6%	0.062	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	143.4	171.7	-63.6	179.5	0	0	0	109.6	F505 T507 L510 Y580 T599 V601 M603	F505-I578 CarbonylContact O-C 3.57Å; T507-I578 WeakPolarHBondContact O-CG2 3.49Å; L510-I578 HydrophobicContact CD2-CD1 3.54Å; I578-Y580 VanDerWaalsContact C-N 3.32Å; I578-Y580 PolarHBondContact O-N 3.32Å; I578-T599 PolarHBondContact N-O 2.85Å; I578-T599 PolarHBondContact O-N 2.88Å; I578-V601 HydrophobicContact CD1-CG1 4.16Å; I578-V601 HydrophobicContact CD1-CG2 3.83Å; I578-V601 HydrophobicContact CG1-CG1 4.46Å; I578-V601 HydrophobicContact CG1-CG2 3.86Å; I578-M603 HydrophobicContact CD1-CE 3.98Å; I578-M603 HydrophobicContact CD1-SD 3.93Å; I578-M603 HydrophobicContact CG1-CE 4.02Å
579	G	87	Confident	87.5	Confident	17 Å²	17	69 Å²	69	18%	0.175	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	68.3	27.9	-178.9	0	0	0	0	0	113.9	F505 T507 R581	F505-G579 PolarHBondContact O-N 2.92Å; T507-G579 WeakPolarHBondContact O-CA 3.49Å; T507-G579 PolarHBondContact O-N 3.23Å; G579-R581 PolarHBondContact O-N 2.87Å
580	Y	92.7	Very high	86.4	Confident	15 Å²	15	72.8 Å²	72.8	6%	0.059	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	128.4	179.2	-179.4	-95.5	0	0	0	111.5	V504 F505 A506 M562 I565 I577 I578 Q582 N597	V504-Y580 HydrophobicContact CG1-CD1 3.86Å; V504-Y580 HydrophobicContact CG1-CD2 3.77Å; V504-Y580 HydrophobicContact CG1-CE1 4.48Å; V504-Y580 HydrophobicContact CG1-CE2 4.4Å; V504-Y580 HydrophobicContact CG1-CG 3.45Å; V504-Y580 VanDerWaalsContact CG1-CG 3.45Å; F505-Y580 PolarHBondContact O-N 3.14Å; A506-Y580 WeakPolarHBondContact CA-O 3.45Å; M562-Y580 HydrophobicContact CE-CE1 3.87Å; I565-Y580 HydrophobicContact CD1-CE2 3.98Å; I577-Y580 HydrophobicContact CD1-CD2 4.28Å; I577-Y580 HydrophobicContact CG2-CD2 4.22Å; I578-Y580 VanDerWaalsContact C-N 3.32Å; I578-Y580 PolarHBondContact O-N 3.32Å; Y580-Q582 HydrophobicContact CE1-CB 4.22Å; Y580-Q582 HydrophobicContact CE1-CG 4.49Å; Y580-Q582 PolarHBondContact OH-OE1 2.81Å; Y580-N597 WeakPolarHBondContact CA-O 3.14Å
581	R	92.7	Very high	86.1	Confident	134 Å²	134	70.4 Å²	70.4	51%	0.506	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	147.1	173	-62.5	-180	-173.2	171.1	4.3	109.6	G579 Y583 G596 N597	G579-R581 PolarHBondContact O-N 2.87Å; R581-Y583 HydrophobicContact CB-CE2 3.92Å; R581-Y583 WeakPolarHBondContact CD-OH 3.23Å; R581-G596 CarbonylContact O-C 3.57Å; R581-G596 VanDerWaalsContact O-CA 3.25Å; R581-G596 WeakPolarHBondContact O-CA 3.18Å; R581-N597 PolarHBondContact N-O 3.15Å; R581-N597 PolarHBondContact O-N 3.2Å
582	Q	92.1	Very high	86.1	Confident	76 Å²	76	64.1 Å²	64.1	36%	0.355	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	146.9	172.5	69.4	-172.8	33.5	0	0	110.1	L561 Y580 R595	L561-Q582 HydrophobicContact CD2-CB 4.07Å; Y580-Q582 HydrophobicContact CE1-CB 4.22Å; Y580-Q582 HydrophobicContact CE1-CG 4.49Å; Y580-Q582 PolarHBondContact OH-OE1 2.81Å; Q582-R595 CarbonylContact C-O 3.59Å; Q582-R595 WeakPolarHBondContact CA-O 3.06Å
583	Y	92.5	Very high	86.2	Confident	116 Å²	116	61.5 Å²	61.5	46%	0.455	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	134.8	-178.7	-47.7	-92.4	0	0	0	108.3	R581 I594 R595	R581-Y583 HydrophobicContact CB-CE2 3.92Å; R581-Y583 WeakPolarHBondContact CD-OH 3.23Å; Y583-I594 CarbonylContact O-C 3.58Å; Y583-I594 WeakPolarHBondContact O-CA 3.44Å; Y583-I594 WeakPolarHBondContact O-CG1 3.31Å; Y583-R595 PolarHBondContact N-O 3.14Å; Y583-R595 PolarHBondContact O-N 3.26Å
584	F	89.8	Confident	86.6	Confident	79 Å²	79	59.8 Å²	59.8	35%	0.346	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	143.7	165.3	-71.1	-91.3	0	0	0	109.1	F554 M557 A558 V592 V593 I594	F554-F584 HydrophobicContact CB-CE1 3.85Å; F554-F584 HydrophobicContact CB-CZ 3.8Å; F554-F584 HydrophobicContact CD1-CD1 4.23Å; F554-F584 AromaticContact CD1-CE1 3.97Å; F554-F584 HydrophobicContact CD1-CE1 3.97Å; F554-F584 HydrophobicContact CG-CD1 4.39Å; F554-F584 AromaticContact CG-CE1 3.97Å; F554-F584 HydrophobicContact CG-CE1 3.97Å; F554-F584 HydrophobicContact CG-CZ 4.3Å; F554-F584 WeakPolarHBondContact O-CZ 3.3Å; M557-F584 HydrophobicContact CB-CE1 4.47Å; A558-F584 HydrophobicContact CB-CZ 4.48Å; F584-V592 HydrophobicContact CD1-CG1 4.29Å; F584-V593 CarbonylContact C-O 3.5Å; F584-V593 WeakPolarHBondContact CA-O 3.35Å; F584-I594 HydrophobicContact CD1-CB 3.96Å; F584-I594 HydrophobicContact CD1-CD1 4.26Å; F584-I594 HydrophobicContact CD1-CG1 3.83Å; F584-I594 HydrophobicContact CD2-CD1 4.4Å; F584-I594 HydrophobicContact CD2-CG1 4.21Å; F584-I594 HydrophobicContact CE1-CB 3.88Å; F584-I594 HydrophobicContact CE1-CD1 3.58Å; F584-I594 HydrophobicContact CE1-CG1 3.67Å; F584-I594 HydrophobicContact CE2-CD1 3.74Å; F584-I594 HydrophobicContact CE2-CG1 4.06Å; F584-I594 HydrophobicContact CG-CG1 4.12Å; F584-I594 HydrophobicContact CZ-CB 4.48Å; F584-I594 HydrophobicContact CZ-CD1 3.29Å; F584-I594 HydrophobicContact CZ-CG1 3.79Å
585	D	87.6	Confident	86.8	Confident	117 Å²	117	65 Å²	65	63%	0.626	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.3	166.5	174.6	-147.3	-21.2	0	0	0	109.1	V593	D585-V593 PolarHBondContact N-O 2.88Å; D585-V593 PolarHBondContact O-N 2.76Å
586	F	83.7	Confident	87.1	Confident	121 Å²	121	62.2 Å²	62.2	53%	0.531	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	129.1	177.8	-73.1	-91.1	0	0	0	111	F554 G591 V592	F554-F586 HydrophobicContact CZ-CZ 4.36Å; F586-G591 CarbonylContact C-O 3.58Å; F586-G591 WeakPolarHBondContact CA-O 3.4Å; F586-V592 HydrophobicContact CD1-CG2 4.37Å; F586-V592 HydrophobicContact CE1-CG2 4.01Å
587	E	77.7	Confident	87.3	Confident	132 Å²	132	64 Å²	64	62%	0.617	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.7	100.3	177.8	-172.7	162.1	-150.1	0	0	110.2	G591 V593	E587-G591 PolarHBondContact N-O 3.22Å; E587-G591 WeakPolarHBondContact O-CA 3.36Å; E587-G591 PolarHBondContact O-N 2.89Å; E587-V593 HydrophobicContact CB-CG2 3.69Å
588	G	73.4	Confident	87.4	Confident	67 Å²	67	64.2 Å²	64.2	69%	0.691	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	-147.3	-177.1	0	0	0	0	0	113.1
589	E	69.1	Low	87.5	Confident	191 Å²	191	64.3 Å²	64.3	89%	0.893	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	0.8	-173.7	-62.2	178.4	160.4	0	0	113.2
590	S	70	Confident	87.9	Confident	79 Å²	79	63.5 Å²	63.5	55%	0.552	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-154.8	4.1	-175.2	-44.4	0	0	0	0	115.9	D531	D531-S590 PolarHBondContact N-O 2.99Å
591	G	83	Confident	87.7	Confident	15 Å²	15	63 Å²	63	16%	0.155	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	130	-179.1	0	0	0	0	0	112.7	F586 E587	F586-G591 CarbonylContact C-O 3.58Å; F586-G591 WeakPolarHBondContact CA-O 3.4Å; E587-G591 PolarHBondContact N-O 3.22Å; E587-G591 WeakPolarHBondContact O-CA 3.36Å; E587-G591 PolarHBondContact O-N 2.89Å
592	V	89.9	Confident	87.5	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.006	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	129.3	166.5	177.8	0	0	0	0	108.2	A528 N529 D531 L553 F554 M557 F584 F586	A528-V592 CarbonylContact C-O 3.55Å; A528-V592 WeakPolarHBondContact CA-O 3.42Å; N529-V592 PolarHBondContact N-O 2.7Å; N529-V592 PolarHBondContact O-N 2.99Å; N529-V592 VanDerWaalsContact O-O 3.11Å; D531-V592 HydrophobicContact CB-CG2 3.83Å; L553-V592 HydrophobicContact CD2-CG2 4.35Å; F554-V592 HydrophobicContact CD1-CG1 4.02Å; F554-V592 HydrophobicContact CE1-CG1 3.64Å; F554-V592 HydrophobicContact CE1-CG2 4.01Å; M557-V592 HydrophobicContact CE-CG1 4.09Å; M557-V592 HydrophobicContact SD-CB 4.37Å; M557-V592 HydrophobicContact SD-CG1 3.84Å; F584-V592 HydrophobicContact CD1-CG1 4.29Å; F586-V592 HydrophobicContact CD1-CG2 4.37Å; F586-V592 HydrophobicContact CE1-CG2 4.01Å
593	V	92	Very high	87	Confident	16 Å²	16	54.1 Å²	54.1	10%	0.097	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	133.9	175.3	-177.7	0	0	0	0	109.7	L526 A528 F584 D585 E587	L526-V593 HydrophobicContact CD1-CG1 3.84Å; L526-V593 HydrophobicContact CD2-CG1 3.81Å; L526-V593 HydrophobicContact CG-CG1 3.69Å; A528-V593 HydrophobicContact CB-CG2 4.04Å; F584-V593 CarbonylContact C-O 3.5Å; F584-V593 WeakPolarHBondContact CA-O 3.35Å; D585-V593 PolarHBondContact N-O 2.88Å; D585-V593 PolarHBondContact O-N 2.76Å; E587-V593 HydrophobicContact CB-CG2 3.69Å
594	I	94.7	Very high	86.3	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	135.6	166.9	-157.1	-173.6	0	0	0	109.3	L526 I527 M557 A558 L561 Y583 F584	L526-I594 WeakPolarHBondContact CA-O 3.27Å; I527-I594 HydrophobicContact CB-CG2 3.89Å; I527-I594 PolarHBondContact N-O 2.69Å; I527-I594 PolarHBondContact O-N 2.75Å; M557-I594 HydrophobicContact CB-CG2 4.07Å; M557-I594 HydrophobicContact CE-CB 4.24Å; M557-I594 HydrophobicContact CE-CG2 3.94Å; A558-I594 HydrophobicContact CB-CD1 4.04Å; L561-I594 HydrophobicContact CB-CD1 4.32Å; L561-I594 HydrophobicContact CB-CG2 4.17Å; L561-I594 HydrophobicContact CD1-CG2 4.46Å; L561-I594 HydrophobicContact CD2-CB 4.42Å; L561-I594 HydrophobicContact CD2-CD1 3.5Å; L561-I594 HydrophobicContact CD2-CG1 3.7Å; L561-I594 HydrophobicContact CD2-CG2 4.06Å; L561-I594 HydrophobicContact CG-CG2 4.47Å; Y583-I594 CarbonylContact O-C 3.58Å; Y583-I594 WeakPolarHBondContact O-CA 3.44Å; Y583-I594 WeakPolarHBondContact O-CG1 3.31Å; F584-I594 HydrophobicContact CD1-CB 3.96Å; F584-I594 HydrophobicContact CD1-CD1 4.26Å; F584-I594 HydrophobicContact CD1-CG1 3.83Å; F584-I594 HydrophobicContact CD2-CD1 4.4Å; F584-I594 HydrophobicContact CD2-CG1 4.21Å; F584-I594 HydrophobicContact CE1-CB 3.88Å; F584-I594 HydrophobicContact CE1-CD1 3.58Å; F584-I594 HydrophobicContact CE1-CG1 3.67Å; F584-I594 HydrophobicContact CE2-CD1 3.74Å; F584-I594 HydrophobicContact CE2-CG1 4.06Å; F584-I594 HydrophobicContact CG-CG1 4.12Å; F584-I594 HydrophobicContact CZ-CB 4.48Å; F584-I594 HydrophobicContact CZ-CD1 3.29Å; F584-I594 HydrophobicContact CZ-CG1 3.79Å
595	R	94.3	Very high	85.1	Confident	118 Å²	118	54.5 Å²	54.5	45%	0.445	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	134.4	171.7	-173.6	-177.2	-178.9	-172.5	2.6	109.8	D524 E525 L526 Q582 Y583	D524-R595 IonicContact OD2-CZ 3.19Å; D524-R595 IonicContact OD2-NE 3.66Å; D524-R595 PolarHBondContact OD2-NE 3.07Å; D524-R595 IonicContact OD2-NH2 2.83Å; D524-R595 PolarHBondContact OD2-NH2 3.29Å; E525-R595 WeakPolarHBondContact O-CA 3.31Å; E525-R595 WeakPolarHBondContact O-CG 3.26Å; L526-R595 HydrophobicContact CB-CG 4.49Å; L526-R595 HydrophobicContact CD1-CB 4.46Å; Q582-R595 CarbonylContact C-O 3.59Å; Q582-R595 WeakPolarHBondContact CA-O 3.06Å; Y583-R595 PolarHBondContact N-O 3.14Å; Y583-R595 PolarHBondContact O-N 3.26Å
596	G	94.1	Very high	83.7	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	147	174.6	0	0	0	0	0	111.6	D524 E525 I565 R581	D524-G596 WeakPolarHBondContact CA-O 3.26Å; D524-G596 WeakPolarHBondContact CB-O 3.37Å; E525-G596 PolarHBondContact N-O 2.95Å; E525-G596 PolarHBondContact O-N 3.01Å; I565-G596 WeakPolarHBondContact CD1-O 3.1Å; R581-G596 CarbonylContact O-C 3.57Å; R581-G596 VanDerWaalsContact O-CA 3.25Å; R581-G596 WeakPolarHBondContact O-CA 3.18Å
597	N	95.1	Very high	82.1	Confident	39 Å²	39	51 Å²	51	21%	0.209	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	159.3	173	72.5	-31.4	0	0	0	113.4	F522 V523 D524 Y580 R581	F522-N597 HydrophobicContact CE2-CB 3.84Å; F522-N597 HydrophobicContact CZ-CB 3.77Å; V523-N597 CarbonylContact O-C 3.58Å; V523-N597 VanDerWaalsContact O-CA 3.26Å; V523-N597 WeakPolarHBondContact O-CA 3.36Å; D524-N597 HydrophobicContact CB-CB 3.64Å; Y580-N597 WeakPolarHBondContact CA-O 3.14Å; R581-N597 PolarHBondContact N-O 3.15Å; R581-N597 PolarHBondContact O-N 3.2Å
598	G	93.8	Very high	80.9	Confident	4 Å²	4	48.7 Å²	48.7	4%	0.041	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.1	-172.7	177.1	0	0	0	0	0	112.8	F522 V523	F522-G598 WeakPolarHBondContact CD2-O 3.42Å; V523-G598 PolarHBondContact N-O 3.34Å; V523-G598 PolarHBondContact O-N 2.89Å
599	T	92.8	Very high	79.9	Confident	14 Å²	14	50.9 Å²	50.9	9%	0.086	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	118.3	174	-53.9	0	0	0	0	109.5	L64 I519 G521 I577 I578 V601	L64-T599 HydrophobicContact CB-CG2 4.31Å; L64-T599 WeakPolarHBondContact O-CG2 3.24Å; I519-T599 HydrophobicContact CG2-CG2 3.76Å; G521-T599 CarbonylContact O-C 3.41Å; G521-T599 WeakPolarHBondContact O-CA 3.34Å; G521-T599 WeakPolarHBondContact O-CG2 3.26Å; I577-T599 WeakPolarHBondContact CA-O 3.45Å; I578-T599 PolarHBondContact N-O 2.85Å; I578-T599 PolarHBondContact O-N 2.88Å; T599-V601 HydrophobicContact CG2-CG1 4.04Å
600	A	94.4	Very high	79.7	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	130.2	171.7	0	0	0	0	0	109.9	R520 G521 V523 V569 M572	R520-A600 WeakPolarHBondContact CA-O 3.38Å; R520-A600 HydrophobicContact CB-CB 4.01Å; R520-A600 WeakPolarHBondContact CB-O 3.23Å; R520-A600 PolarHBondContact N-O 2.91Å; G521-A600 PolarHBondContact N-O 2.82Å; G521-A600 PolarHBondContact O-N 2.84Å; V523-A600 HydrophobicContact CG1-CB 3.8Å; V523-A600 HydrophobicContact CG2-CB 4.16Å; V569-A600 HydrophobicContact CB-CB 4.33Å; V569-A600 HydrophobicContact CG1-CB 4.08Å; V569-A600 HydrophobicContact CG2-CB 3.88Å; M572-A600 HydrophobicContact CE-CB 4.45Å; M572-A600 HydrophobicContact SD-CB 4.38Å
601	V	89.6	Confident	80	Confident	3 Å²	3	40.8 Å²	40.8	2%	0.018	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	159.9	-179.1	-60.8	0	0	0	0	111.7	L516 A518 I519 G574 N575 A576 I578 T599 M603	L516-V601 HydrophobicContact CD1-CB 3.69Å; L516-V601 HydrophobicContact CD1-CG1 3.79Å; L516-V601 HydrophobicContact CD1-CG2 4.38Å; A518-V601 CarbonylContact O-C 3.53Å; A518-V601 WeakPolarHBondContact O-CA 3.49Å; I519-V601 HydrophobicContact CG1-CG1 4.4Å; G574-V601 CarbonylContact C-O 3.52Å; G574-V601 WeakPolarHBondContact CA-O 3.37Å; N575-V601 PolarHBondContact N-O 3.11Å; A576-V601 HydrophobicContact CB-CG2 3.89Å; A576-V601 PolarHBondContact N-O 2.92Å; A576-V601 WeakPolarHBondContact O-CG2 3.34Å; A576-V601 PolarHBondContact O-N 3.39Å; I578-V601 HydrophobicContact CD1-CG1 4.16Å; I578-V601 HydrophobicContact CD1-CG2 3.83Å; I578-V601 HydrophobicContact CG1-CG1 4.46Å; I578-V601 HydrophobicContact CG1-CG2 3.86Å; T599-V601 HydrophobicContact CG2-CG1 4.04Å; V601-M603 HydrophobicContact CG2-CE 4Å; V601-M603 HydrophobicContact CG2-CG 3.92Å; V601-M603 HydrophobicContact CG2-SD 4.48Å
602	T	88	Confident	80.1	Confident	22 Å²	22	41.5 Å²	41.5	14%	0.135	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	118.5	161.9	-54.4	0	0	0	0	108.2	L517 A518 R520 G573 N575	L517-T602 HydrophobicContact CB-CG2 4.3Å; L517-T602 HydrophobicContact CD1-CG2 4.37Å; L517-T602 PolarHBondContact N-O 2.9Å; A518-T602 PolarHBondContact N-O 2.86Å; A518-T602 PolarHBondContact O-N 3.38Å; R520-T602 PolarHBondContact NE-OG1 3.49Å; R520-T602 PolarHBondContact NH2-OG1 2.91Å; G573-T602 PolarHBondContact O-OG1 2.82Å; N575-T602 WeakPolarHBondContact OD1-CA 3.46Å
603	M	82.1	Confident	79.8	Confident	3 Å²	3	43.5 Å²	43.5	2%	0.015	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	150.6	176.1	-75.7	-165.8	-75.1	0	0	112	F505 L510 P511 R514 A515 L516 N575 A576 I578 V601	F505-M603 HydrophobicContact CD2-CE 3.8Å; F505-M603 HydrophobicContact CE2-CE 3.53Å; L510-M603 HydrophobicContact CD2-CG 4.34Å; L510-M603 HydrophobicContact CD2-SD 3.56Å; L510-M603 VanDerWaalsContact CD2-SD 3.56Å; P511-M603 HydrophobicContact CG-CE 4.16Å; P511-M603 HydrophobicContact CG-SD 4.26Å; R514-M603 HydrophobicContact CB-CB 4.49Å; R514-M603 HydrophobicContact CB-SD 3.75Å; R514-M603 HydrophobicContact CG-SD 4.21Å; A515-M603 CarbonylContact O-C 3.51Å; A515-M603 WeakPolarHBondContact O-CA 3.43Å; A515-M603 WeakPolarHBondContact O-CB 3.32Å; L516-M603 HydrophobicContact CD1-CG 4.32Å; N575-M603 PolarHBondContact ND2-O 3.27Å; N575-M603 PolarHBondContact OD1-N 2.82Å; N575-M603 PolarHBondContact OD1-O 3.16Å; A576-M603 HydrophobicContact CB-CE 3.37Å; I578-M603 HydrophobicContact CD1-CE 3.98Å; I578-M603 HydrophobicContact CD1-SD 3.93Å; I578-M603 HydrophobicContact CG1-CE 4.02Å; V601-M603 HydrophobicContact CG2-CE 4Å; V601-M603 HydrophobicContact CG2-CG 3.92Å; V601-M603 HydrophobicContact CG2-SD 4.48Å
604	E	76.2	Confident	79.5	Confident	78 Å²	78	47.8 Å²	47.8	36%	0.364	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	148.9	174.9	-165.3	174.9	-150.5	0	0	109.7	R514 A515 L517 V606 K709	R514-E604 VanDerWaalsContact CA-O 3.26Å; R514-E604 WeakPolarHBondContact CA-O 3.47Å; R514-E604 VanDerWaalsContact CD-O 3.3Å; R514-E604 WeakPolarHBondContact CD-O 3.27Å; A515-E604 PolarHBondContact N-O 3.28Å; A515-E604 PolarHBondContact O-N 2.8Å; L517-E604 HydrophobicContact CD1-CB 3.91Å; L517-E604 HydrophobicContact CD2-CB 4.32Å; L517-E604 HydrophobicContact CG-CB 4.04Å; E604-V606 PolarHBondContact O-N 3.14Å; E604-K709 IonicContact OE1-NZ 3.72Å; E604-K709 PolarHBondContact OE1-NZ 3.49Å; E604-K709 IonicContact OE2-NZ 3.35Å; E604-K709 PolarHBondContact OE2-NZ 2.88Å
605	K	65.8	Low	79	Confident	125 Å²	125	51.3 Å²	51.3	54%	0.543	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	124.3	166.8	-74.8	176.7	-178.5	173.2	0	108.1	G513 R514 T607	G513-K605 WeakPolarHBondContact O-CA 3.03Å; R514-K605 VanDerWaalsContact NH2-CE 3.29Å; K605-T607 PolarHBondContact O-N 3.4Å
606	V	58.3	Low	78.3	Confident	56 Å²	56	49.3 Å²	49.3	34%	0.339	26%	0.255	S	S	.	.			trans	-78.2	70.5	173.2	-172.7	0	0	0	0	108.7	G513 A515 E604 Q608 I705	G513-V606 PolarHBondContact O-N 2.86Å; A515-V606 HydrophobicContact CB-CG2 3.55Å; A515-V606 VanDerWaalsContact N-CG2 3.31Å; E604-V606 PolarHBondContact O-N 3.14Å; V606-Q608 VanDerWaalsContact C-N 3.31Å; V606-Q608 HydrophobicContact CG1-CG 4.23Å; V606-Q608 PolarHBondContact O-N 3.2Å; V606-I705 HydrophobicContact CG2-CG2 4.4Å
607	T	50.5	Low	77.7	Confident	108 Å²	108	52.2 Å²	52.2	66%	0.663	28%	0.276	S	S	*	.			trans	-75.5	90.7	156.4	49.1	0	0	0	0	107	K605 E609	K605-T607 PolarHBondContact O-N 3.4Å; T607-E609 PolarHBondContact O-N 3.14Å
608	Q	52.1	Low	76.6	Confident	83 Å²	83	50.8 Å²	50.8	39%	0.388	27%	0.268	S	S	.	.			trans	-54.6	122.7	157	-73.5	177.1	-19.8	0	0	106.5	V606 Y610 P611	V606-Q608 VanDerWaalsContact C-N 3.31Å; V606-Q608 HydrophobicContact CG1-CG 4.23Å; V606-Q608 PolarHBondContact O-N 3.2Å; Q608-Y610 PolarHBondContact O-N 3.13Å; Q608-Y610 VanDerWaalsContact O-N 3.13Å; Q608-P611 HydrophobicContact CB-CB 4.19Å
609	E	53.1	Low	75.5	Confident	114 Å²	114	53 Å²	53	53%	0.533	28%	0.282	S	S	.	.	S	Bend	trans	-54.6	-36.9	-176.3	-160.3	-169	163.3	0	0	110.2	T607 R652	T607-E609 PolarHBondContact O-N 3.14Å; E609-R652 IonicContact OE1-CZ 3.14Å; E609-R652 IonicContact OE1-NE 2.69Å; E609-R652 IonicContact OE1-NH2 2.71Å; E609-R652 PolarHBondContact OE1-NH2 2.7Å
610	Y	63.9	Low	74.1	Confident	48 Å²	48	53.9 Å²	53.9	19%	0.188	29%	0.287	C	S	.	.	S	Bend	trans	-137	111.4	167.6	-45.1	-77.8	0	0	0	108.4	Q608 F612 R652 R655 L656	Q608-Y610 PolarHBondContact O-N 3.13Å; Q608-Y610 VanDerWaalsContact O-N 3.13Å; Y610-F612 HydrophobicContact CD1-CE2 4.01Å; Y610-F612 HydrophobicContact CD1-CZ 4.14Å; Y610-F612 HydrophobicContact CG-CD2 4.4Å; Y610-F612 HydrophobicContact CG-CE2 4.21Å; Y610-F612 PolarHBondContact O-N 3.42Å; Y610-R652 PolarHBondContact OH-NE 2.82Å; Y610-R655 HydrophobicContact CD1-CB 3.63Å; Y610-R655 HydrophobicContact CD1-CG 4.49Å; Y610-R655 HydrophobicContact CE1-CB 3.58Å; Y610-R655 HydrophobicContact CG-CB 4.39Å; Y610-L656 HydrophobicContact CE1-CD2 4.09Å; Y610-L656 HydrophobicContact CE1-CG 4.33Å
611	P	75.7	Confident	72.8	Confident	9 Å²	9	55.8 Å²	55.8	6%	0.058	30%	0.301	C	S	.	.			trans	-79.9	54.7	176.9	34.7	-35.9	0	0	0	110.4	Q608 Y659 M662 N668 A669 V670	Q608-P611 HydrophobicContact CB-CB 4.19Å; P611-Y659 HydrophobicContact CG-CD2 4.4Å; P611-Y659 HydrophobicContact CG-CE2 4.28Å; P611-M662 HydrophobicContact CG-CE 3.87Å; P611-M662 HydrophobicContact CG-SD 3.7Å; P611-N668 WeakPolarHBondContact CB-O 3.46Å; P611-N668 WeakPolarHBondContact CG-O 3.4Å; P611-A669 WeakPolarHBondContact O-CA 3.39Å; P611-V670 PolarHBondContact O-N 3.01Å
612	F	85.1	Confident	72.1	Confident	30 Å²	30	56.4 Å²	56.4	13%	0.132	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	117.6	-169.3	-63.1	-3.8	0	0	0	109.6	Y610 R655 I658 V670 Y673	Y610-F612 HydrophobicContact CD1-CE2 4.01Å; Y610-F612 HydrophobicContact CD1-CZ 4.14Å; Y610-F612 HydrophobicContact CG-CD2 4.4Å; Y610-F612 HydrophobicContact CG-CE2 4.21Å; Y610-F612 PolarHBondContact O-N 3.42Å; F612-R655 HydrophobicContact CE2-CB 3.97Å; F612-R655 HydrophobicContact CE2-CG 4.07Å; F612-R655 WeakPolarHBondContact CZ-O 3.33Å; F612-I658 HydrophobicContact CE1-CG2 3.94Å; F612-I658 HydrophobicContact CE2-CG2 4.07Å; F612-I658 HydrophobicContact CZ-CB 4.27Å; F612-I658 HydrophobicContact CZ-CG2 3.57Å; F612-V670 CarbonylContact C-O 3.52Å; F612-V670 WeakPolarHBondContact CA-O 2.94Å; F612-V670 HydrophobicContact CD1-CB 3.69Å; F612-V670 HydrophobicContact CD1-CG2 3.81Å; F612-V670 HydrophobicContact CE1-CB 4.12Å; F612-V670 HydrophobicContact CE1-CG2 3.72Å; F612-V670 HydrophobicContact CG-CB 4.38Å; F612-Y673 HydrophobicContact CB-CD1 4.11Å; F612-Y673 HydrophobicContact CB-CD2 4.15Å; F612-Y673 HydrophobicContact CB-CG 3.83Å; F612-Y673 HydrophobicContact CD2-CD1 4.2Å; F612-Y673 AromaticContact CD2-CD2 3.61Å; F612-Y673 HydrophobicContact CD2-CD2 3.61Å; F612-Y673 HydrophobicContact CD2-CE1 4.02Å; F612-Y673 AromaticContact CD2-CE2 3.4Å; F612-Y673 HydrophobicContact CD2-CE2 3.4Å; F612-Y673 VanDerWaalsContact CD2-CE2 3.4Å; F612-Y673 HydrophobicContact CD2-CG 4.01Å; F612-Y673 AromaticContact CD2-CZ 3.63Å; F612-Y673 HydrophobicContact CE2-CD2 4.2Å; F612-Y673 AromaticContact CE2-CE2 3.67Å; F612-Y673 HydrophobicContact CE2-CE2 3.67Å; F612-Y673 AromaticContact CG-CD2 3.94Å; F612-Y673 HydrophobicContact CG-CD2 3.94Å; F612-Y673 HydrophobicContact CG-CE2 4.2Å; F612-Y673 HydrophobicContact CG-CG 4.14Å
613	L	84.8	Confident	71.6	Confident	44 Å²	44	55.8 Å²	55.8	23%	0.23	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	122	179.1	-54.5	-178.1	0	0	0	109.3	I615 V670 V671 G672 Y673 L695	L613-I615 HydrophobicContact CB-CD1 4.48Å; L613-I615 HydrophobicContact CB-CG1 4.09Å; L613-I615 HydrophobicContact CD1-CD1 4.25Å; L613-I615 PolarHBondContact O-N 3.35Å; L613-V670 PolarHBondContact N-O 3.29Å; L613-V671 HydrophobicContact CB-CG1 4.17Å; L613-V671 HydrophobicContact CD1-CG2 4.42Å; L613-V671 CarbonylContact O-C 3.57Å; L613-V671 WeakPolarHBondContact O-CA 3.13Å; L613-G672 PolarHBondContact O-N 2.83Å; L613-Y673 PolarHBondContact O-N 3.46Å; L613-L695 HydrophobicContact CD1-CD1 3.55Å
614	T	86	Confident	71.6	Confident	105 Å²	105	57.9 Å²	57.9	64%	0.644	31%	0.31	S	S	*	.			trans	-75.5	-9.1	177.2	52.9	0	0	0	0	113.3
615	I	83.4	Confident	72	Confident	74 Å²	74	55.2 Å²	55.2	38%	0.379	30%	0.298	S	S	.	.			trans	-64.9	134	177.5	71.3	-174.2	0	0	0	110.8	L613 V671 G672	L613-I615 HydrophobicContact CB-CD1 4.48Å; L613-I615 HydrophobicContact CB-CG1 4.09Å; L613-I615 HydrophobicContact CD1-CD1 4.25Å; L613-I615 PolarHBondContact O-N 3.35Å; I615-V671 HydrophobicContact CG1-CG1 3.89Å; I615-V671 VanDerWaalsContact O-CG1 3.3Å; I615-V671 WeakPolarHBondContact O-CG1 3.48Å; I615-G672 VanDerWaalsContact O-CA 3.31Å; I615-G672 WeakPolarHBondContact O-CA 3.35Å; I615-G672 PolarHBondContact O-N 3.33Å
616	I	80.6	Confident	73	Confident	76 Å²	76	49.4 Å²	49.4	39%	0.39	27%	0.273	S	S	.	.	S	Bend	trans	-98.8	-10.8	179.7	59.4	177.6	0	0	0	113.7	I781 D782	I616-I781 WeakPolarHBondContact O-CB 3.35Å; I616-D782 WeakPolarHBondContact CD1-OD2 3.22Å; I616-D782 PolarHBondContact O-N 3.15Å
617	S	79.7	Confident	74.4	Confident	62 Å²	62	47.5 Å²	47.5	43%	0.434	26%	0.261	S	S	.	.	S	Bend	trans	-121.9	133.6	170.8	-178.5	0	0	0	0	108.6
618	I	73.4	Confident	76.2	Confident	8 Å²	8	42.8 Å²	42.8	4%	0.041	24%	0.235	C	C	.	.			trans	-114.3	132.2	-171	-44	-178.9	0	0	0	108.6	L622 L623 V671 L695 I781	I618-L622 HydrophobicContact CG2-CB 4.4Å; I618-L622 HydrophobicContact CG2-CD2 4.36Å; I618-L623 HydrophobicContact CD1-CD1 4.14Å; I618-L623 HydrophobicContact CD1-CD2 4.27Å; I618-L623 HydrophobicContact CG2-CB 4.15Å; I618-V671 HydrophobicContact CD1-CB 3.87Å; I618-V671 HydrophobicContact CD1-CG1 3.47Å; I618-V671 VanDerWaalsContact CD1-CG1 3.47Å; I618-V671 HydrophobicContact CD1-CG2 4.08Å; I618-V671 HydrophobicContact CG1-CG1 3.67Å; I618-L695 HydrophobicContact CG2-CD2 4.32Å; I618-I781 HydrophobicContact CD1-CD1 3.74Å; I618-I781 HydrophobicContact CG1-CD1 4.43Å
619	P	70.5	Confident	78.1	Confident	51 Å²	51	40.7 Å²	40.7	33%	0.331	23%	0.231	S	C	.	.			trans	-57.6	127.8	168.9	-22.6	33.6	0	0	0	109.9	S621 L622	P619-S621 PolarHBondContact O-N 3.08Å; P619-L622 HydrophobicContact CB-CB 4.36Å; P619-L622 WeakPolarHBondContact O-CB 3.41Å; P619-L622 PolarHBondContact O-N 3.06Å
620	P	63.8	Low	80	Confident	32 Å²	32	35.7 Å²	35.7	21%	0.208	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-63.6	-29.1	-171.5	22.6	-33.2	0	0	0	113.3	L622 L623 E786	P620-L622 VanDerWaalsContact C-N 3.26Å; P620-L622 PolarHBondContact O-N 3Å; P620-L623 PolarHBondContact O-N 2.86Å; P620-E786 HydrophobicContact CB-CG 3.86Å; P620-E786 WeakPolarHBondContact CB-OE1 3.44Å; P620-E786 WeakPolarHBondContact CB-OE2 3.18Å; P620-E786 HydrophobicContact CG-CG 4.3Å
621	S	66.5	Low	81.4	Confident	41 Å²	41	34.4 Å²	34.4	29%	0.287	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-61.4	-32.4	172.6	50.1	0	0	0	0	113.3	P619 L623 I699	P619-S621 PolarHBondContact O-N 3.08Å; S621-L623 VanDerWaalsContact C-N 3.34Å; S621-I699 WeakPolarHBondContact O-CD1 3.25Å
622	L	74.2	Confident	82.2	Confident	15 Å²	15	34 Å²	34	8%	0.079	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-77.7	-18.5	-178.5	-175.7	61.6	0	0	0	112.5	I618 P619 P620 L695 D696	I618-L622 HydrophobicContact CG2-CB 4.4Å; I618-L622 HydrophobicContact CG2-CD2 4.36Å; P619-L622 HydrophobicContact CB-CB 4.36Å; P619-L622 WeakPolarHBondContact O-CB 3.41Å; P619-L622 PolarHBondContact O-N 3.06Å; P620-L622 VanDerWaalsContact C-N 3.26Å; P620-L622 PolarHBondContact O-N 3Å; L622-L695 HydrophobicContact CD1-CB 4.34Å; L622-L695 HydrophobicContact CD2-CD1 4.43Å; L622-L695 HydrophobicContact CG-CB 4.3Å; L622-L695 HydrophobicContact CG-CD1 4.4Å; L622-L695 HydrophobicContact CG-CD2 4.38Å; L622-L695 CarbonylContact O-C 3.46Å; L622-L695 WeakPolarHBondContact O-CA 3.26Å; L622-L695 WeakPolarHBondContact O-CB 3.5Å; L622-L695 WeakPolarHBondContact O-CD2 3.49Å; L622-D696 WeakPolarHBondContact CD1-O 3.27Å; L622-D696 PolarHBondContact O-N 3.47Å
623	L	78.4	Confident	82.6	Confident	10 Å²	10	34.1 Å²	34.1	5%	0.052	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	116.3	-168.8	-176.5	61.2	0	0	0	111.8	I618 P620 S621 L626 A693 L695 L746 P784	I618-L623 HydrophobicContact CD1-CD1 4.14Å; I618-L623 HydrophobicContact CD1-CD2 4.27Å; I618-L623 HydrophobicContact CG2-CB 4.15Å; P620-L623 PolarHBondContact O-N 2.86Å; S621-L623 VanDerWaalsContact C-N 3.34Å; L623-L626 HydrophobicContact CD1-CD2 3.78Å; L623-L626 HydrophobicContact CD1-CG 4.05Å; L623-L626 HydrophobicContact CD2-CD1 4.11Å; L623-L626 HydrophobicContact CD2-CD2 4.18Å; L623-L626 HydrophobicContact CD2-CG 3.99Å; L623-L626 HydrophobicContact CG-CG 4.43Å; L623-A693 HydrophobicContact CD1-CB 4.12Å; L623-L695 HydrophobicContact CB-CD2 4.37Å; L623-L695 HydrophobicContact CD1-CD2 3.61Å; L623-L746 HydrophobicContact CB-CD2 4.4Å; L623-L746 HydrophobicContact CD2-CD2 4.08Å; L623-L746 HydrophobicContact CG-CD2 3.9Å; L623-L746 WeakPolarHBondContact O-CD2 2.88Å; L623-P784 HydrophobicContact CD2-CG 4.11Å
624	I	80.9	Confident	83	Confident	46 Å²	46	33.3 Å²	33.3	24%	0.236	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-48	177	-45.5	172.3	0	0	0	111	V694 D696	I624-V694 WeakPolarHBondContact CA-O 3.38Å; I624-V694 HydrophobicContact CB-CB 4.4Å; I624-V694 HydrophobicContact CB-CG1 4.26Å; I624-V694 WeakPolarHBondContact CB-O 3.49Å; I624-V694 HydrophobicContact CD1-CG1 4.04Å; I624-V694 PolarHBondContact N-O 3.23Å; I624-D696 HydrophobicContact CD1-CB 3.86Å; I624-D696 HydrophobicContact CG1-CB 4.05Å
625	H	84.8	Confident	83.2	Confident	23 Å²	23	29.5 Å²	29.5	11%	0.106	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	143.4	-178.6	-60	-88.2	0	0	0	111.9	A693 V694 K745 L746 H748	H625-A693 CarbonylContact O-C 3.5Å; H625-A693 VanDerWaalsContact O-CA 3.31Å; H625-A693 WeakPolarHBondContact O-CA 3.48Å; H625-A693 WeakPolarHBondContact O-CB 3.2Å; H625-V694 HydrophobicContact CB-CB 4Å; H625-V694 HydrophobicContact CB-CG2 4.03Å; H625-V694 PolarHBondContact N-O 3.28Å; H625-V694 PolarHBondContact O-N 3.06Å; H625-K745 PolarHBondContact ND1-O 3.44Å; H625-K745 VanDerWaalsContact ND1-O 3.13Å; H625-L746 CarbonylContact C-O 3.58Å; H625-L746 WeakPolarHBondContact CA-O 3.34Å; H625-H748 PolarHBondContact ND1-O 3.44Å
626	L	88	Confident	83.5	Confident	2 Å²	2	27.9 Å²	27.9	1%	0.01	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	131.6	163.4	-68	172.1	0	0	0	108.8	L623 T691 A693 L746 F747 I777 I781 P784 F844	L623-L626 HydrophobicContact CD1-CD2 3.78Å; L623-L626 HydrophobicContact CD1-CG 4.05Å; L623-L626 HydrophobicContact CD2-CD1 4.11Å; L623-L626 HydrophobicContact CD2-CD2 4.18Å; L623-L626 HydrophobicContact CD2-CG 3.99Å; L623-L626 HydrophobicContact CG-CG 4.43Å; L626-T691 HydrophobicContact CD2-CG2 4.09Å; L626-A693 HydrophobicContact CD2-CB 4.13Å; L626-L746 PolarHBondContact N-O 2.99Å; L626-F747 HydrophobicContact CD1-CE1 4.21Å; L626-I777 HydrophobicContact CB-CD1 3.82Å; L626-I781 HydrophobicContact CD1-CD1 4.01Å; L626-I781 HydrophobicContact CD2-CD1 3.59Å; L626-I781 HydrophobicContact CG-CD1 4.48Å; L626-P784 HydrophobicContact CD1-CG 4.09Å; L626-F844 HydrophobicContact CD1-CE1 4.39Å
627	V	86.5	Confident	83.8	Confident	16 Å²	16	26 Å²	26	10%	0.097	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	-47.2	179.9	-177.1	0	0	0	0	111.9	L665 C667 A692 L749 P750	V627-L665 HydrophobicContact CG1-CB 4.2Å; V627-L665 HydrophobicContact CG1-CD1 4.41Å; V627-L665 HydrophobicContact CG1-CD2 3.98Å; V627-L665 HydrophobicContact CG1-CG 4.42Å; V627-C667 WeakPolarHBondContact CG2-SG 3.37Å; V627-A692 PolarHBondContact N-O 2.83Å; V627-A692 VanDerWaalsContact N-O 3.13Å; V627-L749 HydrophobicContact CG1-CD2 4.44Å; V627-P750 HydrophobicContact CG2-CG 3.78Å
628	G	89.1	Confident	84	Confident	10 Å²	10	24.9 Å²	24.9	10%	0.103	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162	176.9	175.9	0	0	0	0	0	114.5	T691 A692 V778	G628-T691 CarbonylContact O-C 3.44Å; G628-A692 PolarHBondContact O-N 2.85Å; G628-V778 CarbonylContact C-O 3.5Å; G628-V778 WeakPolarHBondContact CA-O 3.34Å
629	A	92.3	Very high	84	Confident	38 Å²	38	31.9 Å²	31.9	31%	0.314	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	134.5	-179.6	0	0	0	0	0	111.5	G690 V778 T780 L846	A629-G690 CarbonylContact C-O 3.58Å; A629-G690 VanDerWaalsContact CA-O 3.28Å; A629-G690 WeakPolarHBondContact CA-O 3.17Å; A629-V778 HydrophobicContact CB-CG1 4.37Å; A629-V778 WeakPolarHBondContact CB-O 3.2Å; A629-V778 PolarHBondContact N-O 3.48Å; A629-T780 HydrophobicContact CB-CG2 4.35Å; A629-L846 HydrophobicContact CB-CD2 4.48Å
630	V	92.7	Very high	83.7	Confident	9 Å²	9	35.8 Å²	35.8	6%	0.055	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	141	170.7	-70.3	0	0	0	0	109	I658 H661 L665 V670 A689 G690 A692	V630-I658 HydrophobicContact CG2-CD1 4.42Å; V630-I658 HydrophobicContact CG2-CG2 4.11Å; V630-H661 HydrophobicContact CB-CB 4.15Å; V630-H661 HydrophobicContact CG1-CB 3.82Å; V630-L665 HydrophobicContact CG1-CD1 3.6Å; V630-V670 HydrophobicContact CG2-CG1 3.89Å; V630-V670 HydrophobicContact CG2-CG2 4.22Å; V630-A689 CarbonylContact O-C 3.59Å; V630-A689 WeakPolarHBondContact O-CA 3.4Å; V630-G690 PolarHBondContact N-O 3.32Å; V630-G690 PolarHBondContact O-N 3.05Å; V630-A692 HydrophobicContact CG1-CB 3.91Å; V630-A692 HydrophobicContact CG2-CB 4.45Å
631	A	92.9	Very high	83.5	Confident	21 Å²	21	40 Å²	40	17%	0.174	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	162.5	177.1	0	0	0	0	0	110.1	H661 V688	A631-H661 PolarHBondContact O-CE1 3.2Å; A631-H661 PolarHBondContact O-ND1 2.84Å; A631-V688 VanDerWaalsContact CA-O 3.27Å; A631-V688 WeakPolarHBondContact CA-O 3.39Å
632	A	93.5	Very high	83	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.008	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	148.4	169.1	0	0	0	0	0	109.1	L654 E657 I658 V688	A632-L654 HydrophobicContact CB-CD2 3.66Å; A632-E657 WeakPolarHBondContact CA-OE1 3.29Å; A632-E657 HydrophobicContact CB-CB 4.03Å; A632-E657 HydrophobicContact CB-CG 3.85Å; A632-E657 WeakPolarHBondContact CB-OE1 3.01Å; A632-I658 HydrophobicContact CB-CG1 3.98Å; A632-V688 HydrophobicContact CB-CG2 3.62Å; A632-V688 PolarHBondContact N-O 2.92Å; A632-V688 PolarHBondContact O-N 3.41Å
633	H	92.9	Very high	82.7	Confident	33 Å²	33	49.8 Å²	49.8	15%	0.153	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	134.3	-175.7	-42.7	-82.2	0	0	0	111.7	L686 S687 L820 E824 R848 F850	H633-L686 CarbonylContact C-O 3.57Å; H633-L686 WeakPolarHBondContact CA-O 3.43Å; H633-S687 PolarHBondContact CE1-OG 3.31Å; H633-S687 VanDerWaalsContact CE1-OG 3.24Å; H633-S687 PolarHBondContact ND1-OG 3.45Å; H633-L820 HydrophobicContact CB-CD1 4.48Å; H633-E824 IonicContact CD2-OE1 3.51Å; H633-E824 IonicContact CD2-OE2 2.7Å; H633-E824 PolarHBondContact CD2-OE2 3.41Å; H633-E824 IonicContact CE1-OE1 3.49Å; H633-E824 VanDerWaalsContact NE2-CD 3.27Å; H633-E824 IonicContact NE2-OE1 3.77Å; H633-E824 PolarHBondContact NE2-OE1 3.38Å; H633-E824 IonicContact NE2-OE2 2.67Å; H633-E824 PolarHBondContact NE2-OE2 2.91Å; H633-R848 PolarHBondContact CE1-NH1 3.48Å; H633-R848 PolarHBondContact NE2-NH1 3.16Å; H633-F850 AromaticContact ND1-CZ 3.77Å
634	S	91.9	Very high	82.5	Confident	26 Å²	26	52 Å²	52	18%	0.182	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	144.5	177	-157.9	0	0	0	0	111.2	K636 L686	S634-K636 VanDerWaalsContact OG-CE 3.31Å; S634-K636 WeakPolarHBondContact OG-CE 3.37Å; S634-L686 PolarHBondContact N-O 2.66Å; S634-L686 PolarHBondContact O-N 3.11Å
635	V	92	Very high	82.4	Confident	25 Å²	25	57 Å²	57	15%	0.152	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	120.2	176.6	-169.8	0	0	0	0	108.1	T683 C684 A813 I816 L820	V635-T683 HydrophobicContact CG1-CG2 3.69Å; V635-C684 WeakPolarHBondContact CA-O 3.42Å; V635-A813 HydrophobicContact CG1-CB 3.89Å; V635-I816 HydrophobicContact CG1-CB 4.45Å; V635-I816 HydrophobicContact CG1-CG2 4.43Å; V635-I816 HydrophobicContact CG2-CB 4.49Å; V635-I816 HydrophobicContact CG2-CG2 3.9Å; V635-L820 HydrophobicContact CG2-CD1 3.51Å
636	K	89.3	Confident	82.2	Confident	41 Å²	41	59.6 Å²	59.6	18%	0.178	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	163.4	-176.4	-55.9	-77.7	-171.1	172.6	0	110.2	S634 W650 E653 C684 L686	S634-K636 VanDerWaalsContact OG-CE 3.31Å; S634-K636 WeakPolarHBondContact OG-CE 3.37Å; K636-W650 HydrophobicContact CB-CD2 3.99Å; K636-W650 HydrophobicContact CB-CE3 3.69Å; K636-W650 HydrophobicContact CB-CH2 3.93Å; K636-W650 HydrophobicContact CB-CZ2 4.22Å; K636-W650 HydrophobicContact CB-CZ3 3.65Å; K636-W650 HydrophobicContact CD-CD2 3.8Å; K636-W650 HydrophobicContact CD-CE3 4.38Å; K636-W650 HydrophobicContact CD-CG 3.82Å; K636-W650 VanDerWaalsContact CE-CD1 3.49Å; K636-W650 VanDerWaalsContact CE-CG 3.46Å; K636-W650 HydrophobicContact CG-CB 4.41Å; K636-W650 HydrophobicContact CG-CD2 3.6Å; K636-W650 HydrophobicContact CG-CE3 3.67Å; K636-W650 HydrophobicContact CG-CG 3.92Å; K636-W650 HydrophobicContact CG-CZ3 4.18Å; K636-E653 IonicContact NZ-OE1 2.93Å; K636-E653 IonicContact NZ-OE2 3.47Å; K636-E653 PolarHBondContact NZ-OE2 3.18Å; K636-C684 PolarHBondContact N-O 3.14Å; K636-C684 PolarHBondContact O-N 3.38Å; K636-L686 HydrophobicContact CB-CD1 3.93Å; K636-L686 HydrophobicContact CG-CD1 3.38Å
637	L	87.4	Confident	81.9	Confident	35 Å²	35	63.9 Å²	63.9	18%	0.183	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	124.4	177	-130.8	75.2	0	0	0	110.9	R639 E682 E810 A813	L637-R639 HydrophobicContact CD2-CG 4.09Å; L637-R639 PolarHBondContact O-N 3.3Å; L637-E682 CarbonylContact C-O 3.55Å; L637-E682 WeakPolarHBondContact CA-O 3.48Å; L637-E682 HydrophobicContact CG-CB 4.31Å; L637-E810 HydrophobicContact CD2-CB 4.05Å; L637-A813 HydrophobicContact CD1-CB 3.52Å
638	V	82.4	Confident	81.8	Confident	39 Å²	39	69.7 Å²	69.7	24%	0.236	36%	0.361	C	S	.	.			trans	-97.5	82.6	176.5	-172.7	0	0	0	0	108	E682 C684	V638-E682 PolarHBondContact N-O 3.44Å; V638-C684 HydrophobicContact CG2-CB 4.14Å
639	R	73	Confident	81.6	Confident	156 Å²	156	72 Å²	72	59%	0.589	38%	0.375	S	S	*	.			trans	-80.7	-46.4	176.7	-74.1	-177.8	165.9	138.1	5.6	112.5	L637 E810	L637-R639 HydrophobicContact CD2-CG 4.09Å; L637-R639 PolarHBondContact O-N 3.3Å; R639-E810 IonicContact CZ-OE2 3.34Å; R639-E810 IonicContact NH1-OE2 2.77Å; R639-E810 PolarHBondContact NH1-OE2 3.03Å; R639-E810 IonicContact NH2-OE2 3.81Å; R639-E810 PolarHBondContact NH2-OE2 3.38Å
640	N	64.5	Low	81.5	Confident	133 Å²	133	72.2 Å²	72.2	71%	0.711	37%	0.368	S	S	*	.			trans	-120.7	159.8	178.4	-78.1	-6.1	0	0	0	112	R647	N640-R647 PolarHBondContact O-NH2 2.82Å; N640-R647 VanDerWaalsContact O-NH2 3.16Å
641	V	60.8	Low	81.4	Confident	121 Å²	121	73.8 Å²	73.8	73%	0.733	37%	0.373	S	S	*	.	S	Bend	trans	-78.9	-28.2	-174.5	179.1	0	0	0	0	112.7	R647	V641-R647 PolarHBondContact O-NH2 3.27Å; V641-R647 VanDerWaalsContact O-NH2 3.1Å
642	E	54.6	Low	81.1	Confident	172 Å²	172	79 Å²	79	80%	0.804	39%	0.388	S	S	*	.			trans	-99.5	-22.7	-141.1	-56.6	-174.9	142	0	0	116.4	A644	E642-A644 PolarHBondContact O-N 3.04Å
643	N	68.2	Low	80.8	Confident	88 Å²	88	82.9 Å²	82.9	47%	0.471	41%	0.406	S	S	.	.			trans	-86.5	97.4	-176.6	-136.6	25	0	0	0	111.7	D646	N643-D646 HydrophobicContact CB-CB 4.5Å; N643-D646 WeakPolarHBondContact CB-OD2 3.19Å; N643-D646 PolarHBondContact ND2-OD2 3.36Å
644	A	75.5	Confident	80.8	Confident	56 Å²	56	81.3 Å²	81.3	46%	0.463	40%	0.399	S	S	.	.	H	α-helix	trans	-69	-35.7	178	0	0	0	0	0	112.3	E642 D646 R647 F648	E642-A644 PolarHBondContact O-N 3.04Å; A644-D646 PolarHBondContact O-N 2.86Å; A644-R647 PolarHBondContact O-N 3.44Å; A644-R647 VanDerWaalsContact O-N 3.15Å; A644-F648 HydrophobicContact CB-CD2 4.45Å; A644-F648 HydrophobicContact CB-CE2 4.38Å; A644-F648 VanDerWaalsContact O-CD2 3.24Å; A644-F648 WeakPolarHBondContact O-CD2 3.5Å; A644-F648 PolarHBondContact O-N 2.94Å
645	E	77.7	Confident	80.8	Confident	153 Å²	153	83 Å²	83	72%	0.715	40%	0.402	S	S	*	.	H	α-helix	trans	-61.2	-43.9	-177.8	-62.1	-171.7	159.9	0	0	112.4	R647 F648 S649	E645-R647 VanDerWaalsContact C-N 3.27Å; E645-R647 PolarHBondContact O-N 2.93Å; E645-F648 PolarHBondContact O-N 3.47Å; E645-F648 VanDerWaalsContact O-N 3.16Å; E645-S649 PolarHBondContact O-N 3.26Å
646	D	80.4	Confident	80.5	Confident	77 Å²	77	86.3 Å²	86.3	41%	0.412	42%	0.418	S	S	.	.	H	α-helix	trans	-56.5	-43.2	174.6	-70.9	-36.2	0	0	0	111.5	N643 A644 S649 W650	N643-D646 HydrophobicContact CB-CB 4.5Å; N643-D646 WeakPolarHBondContact CB-OD2 3.19Å; N643-D646 PolarHBondContact ND2-OD2 3.36Å; A644-D646 PolarHBondContact O-N 2.86Å; D646-S649 WeakPolarHBondContact O-CB 3.48Å; D646-S649 PolarHBondContact O-N 3.46Å; D646-W650 HydrophobicContact CB-CZ2 4.35Å; D646-W650 PolarHBondContact O-N 2.9Å; D646-W650 PolarHBondContact O-NE1 3.13Å
647	R	82.9	Confident	80.6	Confident	91 Å²	91	87 Å²	87	34%	0.343	42%	0.422	S	S	.	.	H	α-helix	trans	-69.7	-36.2	179.7	-59.6	-178.1	-173.9	-173.6	3.7	111.9	N640 V641 A644 E645 S649 W650 W651	N640-R647 PolarHBondContact O-NH2 2.82Å; N640-R647 VanDerWaalsContact O-NH2 3.16Å; V641-R647 PolarHBondContact O-NH2 3.27Å; V641-R647 VanDerWaalsContact O-NH2 3.1Å; A644-R647 PolarHBondContact O-N 3.44Å; A644-R647 VanDerWaalsContact O-N 3.15Å; E645-R647 VanDerWaalsContact C-N 3.27Å; E645-R647 PolarHBondContact O-N 2.93Å; R647-S649 VanDerWaalsContact C-N 3.33Å; R647-W650 HydrophobicContact CG-CE3 4.2Å; R647-W650 HydrophobicContact CG-CH2 4.47Å; R647-W650 HydrophobicContact CG-CZ3 4.03Å; R647-W650 PolarHBondContact O-N 3.26Å; R647-W651 PolarHBondContact O-N 3.15Å
648	F	82.8	Confident	80.7	Confident	139 Å²	139	85.3 Å²	85.3	61%	0.61	41%	0.413	S	S	*	.	H	α-helix	trans	-64	-38.5	169.8	-79.9	-65.2	0	0	0	111.7	A644 E645 W651 R652	A644-F648 HydrophobicContact CB-CD2 4.45Å; A644-F648 HydrophobicContact CB-CE2 4.38Å; A644-F648 VanDerWaalsContact O-CD2 3.24Å; A644-F648 WeakPolarHBondContact O-CD2 3.5Å; A644-F648 PolarHBondContact O-N 2.94Å; E645-F648 PolarHBondContact O-N 3.47Å; E645-F648 VanDerWaalsContact O-N 3.16Å; F648-W651 PolarHBondContact O-N 3.37Å; F648-R652 WeakPolarHBondContact O-CB 3.34Å; F648-R652 PolarHBondContact O-N 3.48Å
649	S	85.7	Confident	80.9	Confident	57 Å²	57	86.8 Å²	86.8	40%	0.399	42%	0.415	S	S	.	.	H	α-helix	trans	-61.9	-44.9	174.5	-163.7	0	0	0	0	111.8	E645 D646 R647 W651 R652 E653	E645-S649 PolarHBondContact O-N 3.26Å; D646-S649 WeakPolarHBondContact O-CB 3.48Å; D646-S649 PolarHBondContact O-N 3.46Å; R647-S649 VanDerWaalsContact C-N 3.33Å; S649-W651 VanDerWaalsContact C-N 3.31Å; S649-W651 PolarHBondContact O-N 2.75Å; S649-R652 WeakPolarHBondContact O-CA 3.44Å; S649-R652 WeakPolarHBondContact O-CB 3.37Å; S649-R652 PolarHBondContact O-N 3.2Å; S649-E653 WeakPolarHBondContact O-CG 3.47Å; S649-E653 PolarHBondContact O-N 2.63Å
650	W	89.8	Confident	81.5	Confident	43 Å²	43	81.1 Å²	81.1	16%	0.163	41%	0.405	C	S	.	.	H	α-helix	trans	-61.1	-37	177.7	-55.9	-13	0	0	0	113	K636 D646 R647 L654 L686	K636-W650 HydrophobicContact CB-CD2 3.99Å; K636-W650 HydrophobicContact CB-CE3 3.69Å; K636-W650 HydrophobicContact CB-CH2 3.93Å; K636-W650 HydrophobicContact CB-CZ2 4.22Å; K636-W650 HydrophobicContact CB-CZ3 3.65Å; K636-W650 HydrophobicContact CD-CD2 3.8Å; K636-W650 HydrophobicContact CD-CE3 4.38Å; K636-W650 HydrophobicContact CD-CG 3.82Å; K636-W650 VanDerWaalsContact CE-CD1 3.49Å; K636-W650 VanDerWaalsContact CE-CG 3.46Å; K636-W650 HydrophobicContact CG-CB 4.41Å; K636-W650 HydrophobicContact CG-CD2 3.6Å; K636-W650 HydrophobicContact CG-CE3 3.67Å; K636-W650 HydrophobicContact CG-CG 3.92Å; K636-W650 HydrophobicContact CG-CZ3 4.18Å; D646-W650 HydrophobicContact CB-CZ2 4.35Å; D646-W650 PolarHBondContact O-N 2.9Å; D646-W650 PolarHBondContact O-NE1 3.13Å; R647-W650 HydrophobicContact CG-CE3 4.2Å; R647-W650 HydrophobicContact CG-CH2 4.47Å; R647-W650 HydrophobicContact CG-CZ3 4.03Å; R647-W650 PolarHBondContact O-N 3.26Å; W650-L654 PolarHBondContact O-N 2.78Å; W650-L686 HydrophobicContact CE3-CD1 4.21Å
651	W	90.3	Very high	82.7	Confident	43 Å²	43	77.9 Å²	77.9	16%	0.163	39%	0.385	C	S	.	.	H	α-helix	trans	-72.6	-33.7	171.9	-72.3	121.6	0	0	0	112.4	R647 F648 S649 L654 R655 E675 V677 L686 V688	R647-W651 PolarHBondContact O-N 3.15Å; F648-W651 PolarHBondContact O-N 3.37Å; S649-W651 VanDerWaalsContact C-N 3.31Å; S649-W651 PolarHBondContact O-N 2.75Å; W651-L654 HydrophobicContact CE3-CD1 4.02Å; W651-L654 HydrophobicContact CZ3-CD1 4.16Å; W651-L654 PolarHBondContact O-N 2.89Å; W651-R655 WeakPolarHBondContact O-CB 3.4Å; W651-R655 WeakPolarHBondContact O-CD 3.39Å; W651-R655 WeakPolarHBondContact O-CG 3.26Å; W651-R655 PolarHBondContact O-N 3.38Å; W651-E675 HydrophobicContact CE3-CB 4.37Å; W651-E675 HydrophobicContact CH2-CB 3.8Å; W651-E675 HydrophobicContact CZ2-CB 4.45Å; W651-E675 HydrophobicContact CZ3-CB 3.77Å; W651-E675 HydrophobicContact CZ3-CG 4.4Å; W651-V677 HydrophobicContact CH2-CG2 3.73Å; W651-V677 HydrophobicContact CZ2-CB 4.43Å; W651-V677 HydrophobicContact CZ2-CG2 3.52Å; W651-L686 HydrophobicContact CD2-CD2 3.91Å; W651-L686 HydrophobicContact CE3-CD2 4.19Å; W651-L686 HydrophobicContact CH2-CB 4.2Å; W651-L686 HydrophobicContact CH2-CD2 3.98Å; W651-L686 HydrophobicContact CZ2-CD2 3.68Å; W651-L686 HydrophobicContact CZ3-CB 4.1Å; W651-L686 HydrophobicContact CZ3-CD2 4.2Å; W651-V688 HydrophobicContact CE3-CG1 3.93Å; W651-V688 HydrophobicContact CZ3-CG1 3.68Å
652	R	86.7	Confident	84	Confident	130 Å²	130	72.1 Å²	72.1	49%	0.491	35%	0.35	S	S	.	.	H	α-helix	trans	-64.7	-42.9	175.9	-164.6	-177.9	-164.1	178.5	10.1	112	E609 Y610 F648 S649 R655 L656	E609-R652 IonicContact OE1-CZ 3.14Å; E609-R652 IonicContact OE1-NE 2.69Å; E609-R652 IonicContact OE1-NH2 2.71Å; E609-R652 PolarHBondContact OE1-NH2 2.7Å; Y610-R652 PolarHBondContact OH-NE 2.82Å; F648-R652 WeakPolarHBondContact O-CB 3.34Å; F648-R652 PolarHBondContact O-N 3.48Å; S649-R652 WeakPolarHBondContact O-CA 3.44Å; S649-R652 WeakPolarHBondContact O-CB 3.37Å; S649-R652 PolarHBondContact O-N 3.2Å; R652-R655 PolarHBondContact O-N 3.22Å; R652-L656 HydrophobicContact CG-CD1 4.19Å; R652-L656 WeakPolarHBondContact O-CG 3.33Å; R652-L656 PolarHBondContact O-N 2.8Å
653	E	88.7	Confident	85.4	Confident	82 Å²	82	68.1 Å²	68.1	38%	0.383	33%	0.33	S	S	.	.	H	α-helix	trans	-51.9	-56.1	172.3	-69.6	162.4	-158.3	0	0	110.5	K636 S649 R655 L656 E657	K636-E653 IonicContact NZ-OE1 2.93Å; K636-E653 IonicContact NZ-OE2 3.47Å; K636-E653 PolarHBondContact NZ-OE2 3.18Å; S649-E653 WeakPolarHBondContact O-CG 3.47Å; S649-E653 PolarHBondContact O-N 2.63Å; E653-R655 VanDerWaalsContact C-N 3.33Å; E653-R655 PolarHBondContact O-N 3.33Å; E653-L656 PolarHBondContact O-N 3.39Å; E653-L656 VanDerWaalsContact O-N 3.15Å; E653-E657 PolarHBondContact O-N 2.95Å
654	L	92.2	Very high	86	Confident	1 Å²	1	66.1 Å²	66.1	1%	0.005	33%	0.326	C	S	.	.	H	α-helix	trans	-61.9	-34.7	179.6	-76.2	174.7	0	0	0	114.1	A632 W650 W651 E657 I658 L686 V688	A632-L654 HydrophobicContact CB-CD2 3.66Å; W650-L654 PolarHBondContact O-N 2.78Å; W651-L654 HydrophobicContact CE3-CD1 4.02Å; W651-L654 HydrophobicContact CZ3-CD1 4.16Å; W651-L654 PolarHBondContact O-N 2.89Å; L654-E657 PolarHBondContact O-N 2.75Å; L654-I658 PolarHBondContact O-N 3.12Å; L654-L686 HydrophobicContact CD1-CB 3.59Å; L654-V688 HydrophobicContact CB-CG1 4.14Å; L654-V688 HydrophobicContact CB-CG2 3.87Å; L654-V688 HydrophobicContact CD1-CG1 4.36Å; L654-V688 HydrophobicContact CD2-CG2 4.31Å
655	R	91.5	Very high	86.4	Confident	62 Å²	62	64.8 Å²	64.8	23%	0.234	31%	0.311	C	S	.	.	H	α-helix	trans	-69.7	-38.2	175.3	-72.9	167.1	-171.4	164.5	6.3	111.9	Y610 F612 W651 R652 E653 Y659 Y673 E675	Y610-R655 HydrophobicContact CD1-CB 3.63Å; Y610-R655 HydrophobicContact CD1-CG 4.49Å; Y610-R655 HydrophobicContact CE1-CB 3.58Å; Y610-R655 HydrophobicContact CG-CB 4.39Å; F612-R655 HydrophobicContact CE2-CB 3.97Å; F612-R655 HydrophobicContact CE2-CG 4.07Å; F612-R655 WeakPolarHBondContact CZ-O 3.33Å; W651-R655 WeakPolarHBondContact O-CB 3.4Å; W651-R655 WeakPolarHBondContact O-CD 3.39Å; W651-R655 WeakPolarHBondContact O-CG 3.26Å; W651-R655 PolarHBondContact O-N 3.38Å; R652-R655 PolarHBondContact O-N 3.22Å; E653-R655 VanDerWaalsContact C-N 3.33Å; E653-R655 PolarHBondContact O-N 3.33Å; R655-Y659 WeakPolarHBondContact O-CB 3.35Å; R655-Y659 PolarHBondContact O-N 3.41Å; R655-Y673 WeakPolarHBondContact CG-OH 3.25Å; R655-E675 IonicContact CZ-OE1 3.4Å; R655-E675 VanDerWaalsContact CZ-OE1 3.24Å; R655-E675 IonicContact CZ-OE2 3.73Å; R655-E675 IonicContact NE-OE1 2.69Å; R655-E675 PolarHBondContact NE-OE1 2.84Å; R655-E675 VanDerWaalsContact NH2-CD 3.25Å; R655-E675 IonicContact NH2-OE1 3.47Å; R655-E675 PolarHBondContact NH2-OE1 2.9Å; R655-E675 IonicContact NH2-OE2 2.65Å; R655-E675 PolarHBondContact NH2-OE2 2.9Å
656	L	85.9	Confident	86.5	Confident	93 Å²	93	60.7 Å²	60.7	49%	0.487	29%	0.294	S	S	.	.	H	α-helix	trans	-68.9	-36	174.4	-69	168.8	0	0	0	111.5	Y610 R652 E653 Y659 G660	Y610-L656 HydrophobicContact CE1-CD2 4.09Å; Y610-L656 HydrophobicContact CE1-CG 4.33Å; R652-L656 HydrophobicContact CG-CD1 4.19Å; R652-L656 WeakPolarHBondContact O-CG 3.33Å; R652-L656 PolarHBondContact O-N 2.8Å; E653-L656 PolarHBondContact O-N 3.39Å; E653-L656 VanDerWaalsContact O-N 3.15Å; L656-Y659 WeakPolarHBondContact O-CB 3.43Å; L656-Y659 PolarHBondContact O-N 3Å; L656-G660 PolarHBondContact O-N 3.47Å
657	E	90.8	Very high	86.7	Confident	56 Å²	56	57.1 Å²	57.1	26%	0.262	28%	0.275	S	S	.	.	H	α-helix	trans	-61	-53.2	173.5	-164.6	-174.9	139.1	0	0	111.4	A632 E653 L654 Y659 G660 H661	A632-E657 WeakPolarHBondContact CA-OE1 3.29Å; A632-E657 HydrophobicContact CB-CB 4.03Å; A632-E657 HydrophobicContact CB-CG 3.85Å; A632-E657 WeakPolarHBondContact CB-OE1 3.01Å; E653-E657 PolarHBondContact O-N 2.95Å; L654-E657 PolarHBondContact O-N 2.75Å; E657-Y659 VanDerWaalsContact C-N 3.29Å; E657-Y659 PolarHBondContact O-N 3.29Å; E657-G660 WeakPolarHBondContact O-CA 3.35Å; E657-G660 PolarHBondContact O-N 3.48Å; E657-H661 PolarHBondContact O-N 3.08Å; E657-H661 IonicContact OE1-CE1 2.88Å
658	I	91.1	Very high	86.6	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62.3	-34	174.4	-85.9	-167.3	0	0	0	112.6	F612 V630 A632 L654 G660 H661 M662 V670 Y673 V688	F612-I658 HydrophobicContact CE1-CG2 3.94Å; F612-I658 HydrophobicContact CE2-CG2 4.07Å; F612-I658 HydrophobicContact CZ-CB 4.27Å; F612-I658 HydrophobicContact CZ-CG2 3.57Å; V630-I658 HydrophobicContact CG2-CD1 4.42Å; V630-I658 HydrophobicContact CG2-CG2 4.11Å; A632-I658 HydrophobicContact CB-CG1 3.98Å; L654-I658 PolarHBondContact O-N 3.12Å; I658-G660 VanDerWaalsContact C-N 3.33Å; I658-H661 PolarHBondContact O-N 3.35Å; I658-M662 WeakPolarHBondContact O-CB 3.39Å; I658-M662 PolarHBondContact O-N 3.31Å; I658-V670 HydrophobicContact CG2-CG1 4.28Å; I658-V670 HydrophobicContact CG2-CG2 3.86Å; I658-Y673 HydrophobicContact CD1-CE2 4.24Å; I658-Y673 HydrophobicContact CG2-CE2 4.41Å; I658-V688 HydrophobicContact CD1-CB 3.86Å; I658-V688 HydrophobicContact CD1-CG2 3.43Å; I658-V688 VanDerWaalsContact CD1-CG2 3.43Å; I658-V688 HydrophobicContact CG1-CG2 3.83Å
659	Y	87	Confident	86.8	Confident	70 Å²	70	47.7 Å²	47.7	28%	0.275	24%	0.238	S	C	.	.	H	α-helix	trans	-63.8	-40.4	173.4	-178.7	-90.2	0	0	0	111.4	P611 R655 L656 E657 M662 K663	P611-Y659 HydrophobicContact CG-CD2 4.4Å; P611-Y659 HydrophobicContact CG-CE2 4.28Å; R655-Y659 WeakPolarHBondContact O-CB 3.35Å; R655-Y659 PolarHBondContact O-N 3.41Å; L656-Y659 WeakPolarHBondContact O-CB 3.43Å; L656-Y659 PolarHBondContact O-N 3Å; E657-Y659 VanDerWaalsContact C-N 3.29Å; E657-Y659 PolarHBondContact O-N 3.29Å; Y659-M662 HydrophobicContact CD2-CE 3.63Å; Y659-M662 HydrophobicContact CE2-CE 3.67Å; Y659-M662 HydrophobicContact CG-CE 4.29Å; Y659-M662 PolarHBondContact O-N 2.9Å; Y659-K663 HydrophobicContact CD1-CG 4.19Å; Y659-K663 HydrophobicContact CE1-CG 3.81Å; Y659-K663 WeakPolarHBondContact O-CG 3.45Å; Y659-K663 PolarHBondContact O-N 3.15Å; Y659-K663 WeakPolarHBondContact OH-CE 3.37Å
660	G	84.9	Confident	86.9	Confident	37 Å²	37	45 Å²	45	38%	0.381	22%	0.219	S	C	.	.	H	α-helix	trans	-58.9	-50.6	171	0	0	0	0	0	112.2	L656 E657 I658 M662 K663 A664	L656-G660 PolarHBondContact O-N 3.47Å; E657-G660 WeakPolarHBondContact O-CA 3.35Å; E657-G660 PolarHBondContact O-N 3.48Å; I658-G660 VanDerWaalsContact C-N 3.33Å; G660-M662 PolarHBondContact O-N 3.48Å; G660-K663 PolarHBondContact O-N 3.48Å; G660-A664 PolarHBondContact O-N 2.87Å
661	H	89.6	Confident	86.9	Confident	64 Å²	64	43 Å²	43	30%	0.296	21%	0.211	S	C	.	.	H	α-helix	trans	-57.5	-45.2	176.2	-63.3	158.7	0	0	0	112.2	V630 A631 E657 I658 K663 A664 L665	V630-H661 HydrophobicContact CB-CB 4.15Å; V630-H661 HydrophobicContact CG1-CB 3.82Å; A631-H661 PolarHBondContact O-CE1 3.2Å; A631-H661 PolarHBondContact O-ND1 2.84Å; E657-H661 PolarHBondContact O-N 3.08Å; E657-H661 IonicContact OE1-CE1 2.88Å; I658-H661 PolarHBondContact O-N 3.35Å; H661-K663 VanDerWaalsContact C-N 3.31Å; H661-K663 PolarHBondContact O-N 3.43Å; H661-A664 PolarHBondContact O-N 2.98Å; H661-L665 WeakPolarHBondContact O-CG 3.45Å; H661-L665 PolarHBondContact O-N 3.14Å
662	M	88.2	Confident	86.8	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-59.3	-40.4	174.2	-179.9	-156.1	65.8	0	0	112	P611 I658 Y659 G660 L665 C667 A669 V670	P611-M662 HydrophobicContact CG-CE 3.87Å; P611-M662 HydrophobicContact CG-SD 3.7Å; I658-M662 WeakPolarHBondContact O-CB 3.39Å; I658-M662 PolarHBondContact O-N 3.31Å; Y659-M662 HydrophobicContact CD2-CE 3.63Å; Y659-M662 HydrophobicContact CE2-CE 3.67Å; Y659-M662 HydrophobicContact CG-CE 4.29Å; Y659-M662 PolarHBondContact O-N 2.9Å; G660-M662 PolarHBondContact O-N 3.48Å; M662-L665 PolarHBondContact O-N 3.47Å; M662-C667 HydrophobicContact CG-CB 3.61Å; M662-C667 WeakPolarHBondContact O-CB 3.09Å; M662-C667 PolarHBondContact O-N 3.45Å; M662-A669 VanDerWaalsContact SD-CA 3.56Å; M662-A669 PolarHBondContact SD-N 3.37Å; M662-V670 HydrophobicContact CB-CG2 3.72Å; M662-V670 HydrophobicContact CG-CG2 3.77Å; M662-V670 HydrophobicContact SD-CG2 3.8Å
663	K	83.1	Confident	87.1	Confident	88 Å²	88	35.8 Å²	35.8	38%	0.383	19%	0.185	S	C	.	.	H	α-helix	trans	-72.7	-35.9	179.3	-72	-63	174.4	-152.3	0	113.7	Y659 G660 H661 L665 N666 C667	Y659-K663 HydrophobicContact CD1-CG 4.19Å; Y659-K663 HydrophobicContact CE1-CG 3.81Å; Y659-K663 WeakPolarHBondContact O-CG 3.45Å; Y659-K663 PolarHBondContact O-N 3.15Å; Y659-K663 WeakPolarHBondContact OH-CE 3.37Å; G660-K663 PolarHBondContact O-N 3.48Å; H661-K663 VanDerWaalsContact C-N 3.31Å; H661-K663 PolarHBondContact O-N 3.43Å; K663-L665 PolarHBondContact O-N 2.87Å; K663-N666 PolarHBondContact O-N 3.44Å; K663-N666 VanDerWaalsContact O-N 3.07Å; K663-C667 PolarHBondContact NZ-O 3.11Å
664	A	81.8	Confident	87.2	Confident	46 Å²	46	34.6 Å²	34.6	38%	0.38	18%	0.178	S	C	.	.	H	α-helix	trans	-61.9	-27.8	172.2	0	0	0	0	0	112.7	G660 H661 N666 H757	G660-A664 PolarHBondContact O-N 2.87Å; H661-A664 PolarHBondContact O-N 2.98Å; A664-N666 VanDerWaalsContact C-N 3.3Å; A664-N666 PolarHBondContact O-N 2.96Å; A664-H757 PolarHBondContact O-CD2 3.12Å; A664-H757 VanDerWaalsContact O-CD2 3.31Å; A664-H757 PolarHBondContact O-NE2 3Å
665	L	82.8	Confident	87.2	Confident	29 Å²	29	38 Å²	38	15%	0.152	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	8.4	175.3	-63.4	175	0	0	0	114.2	V627 V630 H661 M662 K663 C667 A692 F760	V627-L665 HydrophobicContact CG1-CB 4.2Å; V627-L665 HydrophobicContact CG1-CD1 4.41Å; V627-L665 HydrophobicContact CG1-CD2 3.98Å; V627-L665 HydrophobicContact CG1-CG 4.42Å; V630-L665 HydrophobicContact CG1-CD1 3.6Å; H661-L665 WeakPolarHBondContact O-CG 3.45Å; H661-L665 PolarHBondContact O-N 3.14Å; M662-L665 PolarHBondContact O-N 3.47Å; K663-L665 PolarHBondContact O-N 2.87Å; L665-C667 PolarHBondContact O-N 3.36Å; L665-C667 VanDerWaalsContact O-N 3.14Å; L665-A692 HydrophobicContact CB-CB 4.47Å; L665-A692 HydrophobicContact CD1-CB 3.56Å; L665-F760 HydrophobicContact CD2-CE1 4.28Å; L665-F760 HydrophobicContact CD2-CE2 3.75Å; L665-F760 HydrophobicContact CD2-CZ 3.4Å
666	N	80.8	Confident	87.2	Confident	66 Å²	66	37 Å²	37	35%	0.353	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	24	-170.3	-74.9	1.7	0	0	0	114.6	K663 A664 P750 P751 N752	K663-N666 PolarHBondContact O-N 3.44Å; K663-N666 VanDerWaalsContact O-N 3.07Å; A664-N666 VanDerWaalsContact C-N 3.3Å; A664-N666 PolarHBondContact O-N 2.96Å; N666-P750 HydrophobicContact CB-CB 4.09Å; N666-P751 PolarHBondContact ND2-O 3.47Å; N666-N752 WeakPolarHBondContact ND2-CA 3.45Å; N666-N752 WeakPolarHBondContact ND2-CB 3.47Å; N666-N752 VanDerWaalsContact ND2-CG 3.34Å; N666-N752 PolarHBondContact ND2-OD1 3.33Å; N666-N752 VanDerWaalsContact ND2-OD1 3.11Å
667	C	84.7	Confident	87.4	Confident	2 Å²	2	35.5 Å²	35.5	1%	0.014	19%	0.186	C	C	.	.			trans	-85.3	157.2	179.2	-74.5	0	0	0	0	112.7	V627 M662 K663 L665 A692 A693	V627-C667 WeakPolarHBondContact CG2-SG 3.37Å; M662-C667 HydrophobicContact CG-CB 3.61Å; M662-C667 WeakPolarHBondContact O-CB 3.09Å; M662-C667 PolarHBondContact O-N 3.45Å; K663-C667 PolarHBondContact NZ-O 3.11Å; L665-C667 PolarHBondContact O-N 3.36Å; L665-C667 VanDerWaalsContact O-N 3.14Å; C667-A692 HydrophobicContact CB-CB 3.94Å; C667-A692 VanDerWaalsContact SG-C 3.56Å; C667-A693 VanDerWaalsContact CB-O 3.28Å; C667-A693 WeakPolarHBondContact CB-O 3.39Å; C667-A693 PolarHBondContact SG-N 3.33Å
668	N	79.7	Confident	87.4	Confident	33 Å²	33	37.1 Å²	37.1	18%	0.176	19%	0.192	C	C	.	.	S	Bend	trans	-112.2	-12.2	179.1	76.9	2.1	0	0	0	113.9	P611 A693 V694 L695	P611-N668 WeakPolarHBondContact CB-O 3.46Å; P611-N668 WeakPolarHBondContact CG-O 3.4Å; N668-A693 PolarHBondContact N-O 2.92Å; N668-A693 VanDerWaalsContact N-O 3.07Å; N668-A693 PolarHBondContact OD1-O 3.5Å; N668-V694 WeakPolarHBondContact OD1-CA 3.25Å; N668-L695 PolarHBondContact ND2-O 2.93Å; N668-L695 PolarHBondContact OD1-N 3.26Å
669	A	86.7	Confident	87.3	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	161.8	175	0	0	0	0	0	112.5	P611 M662 V671 A693 L695 F697	P611-A669 WeakPolarHBondContact O-CA 3.39Å; M662-A669 VanDerWaalsContact SD-CA 3.56Å; M662-A669 PolarHBondContact SD-N 3.37Å; A669-V671 HydrophobicContact CB-CG2 4.44Å; A669-A693 PolarHBondContact N-O 3.45Å; A669-A693 VanDerWaalsContact N-O 3.09Å; A669-A693 PolarHBondContact O-N 3.13Å; A669-L695 HydrophobicContact CB-CB 4.48Å; A669-L695 HydrophobicContact CB-CD1 3.58Å; A669-L695 HydrophobicContact CB-CG 3.84Å; A669-F697 HydrophobicContact CB-CE2 4.24Å; A669-F697 HydrophobicContact CB-CZ 3.93Å
670	V	89.6	Confident	87.1	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	128.9	165.8	-178.1	0	0	0	0	108.2	P611 F612 L613 V630 I658 M662 Y673 T691	P611-V670 PolarHBondContact O-N 3.01Å; F612-V670 CarbonylContact C-O 3.52Å; F612-V670 WeakPolarHBondContact CA-O 2.94Å; F612-V670 HydrophobicContact CD1-CB 3.69Å; F612-V670 HydrophobicContact CD1-CG2 3.81Å; F612-V670 HydrophobicContact CE1-CB 4.12Å; F612-V670 HydrophobicContact CE1-CG2 3.72Å; F612-V670 HydrophobicContact CG-CB 4.38Å; L613-V670 PolarHBondContact N-O 3.29Å; V630-V670 HydrophobicContact CG2-CG1 3.89Å; V630-V670 HydrophobicContact CG2-CG2 4.22Å; I658-V670 HydrophobicContact CG2-CG1 4.28Å; I658-V670 HydrophobicContact CG2-CG2 3.86Å; M662-V670 HydrophobicContact CB-CG2 3.72Å; M662-V670 HydrophobicContact CG-CG2 3.77Å; M662-V670 HydrophobicContact SD-CG2 3.8Å; V670-Y673 HydrophobicContact CG1-CD2 4.23Å; V670-T691 CarbonylContact C-O 3.37Å; V670-T691 WeakPolarHBondContact CA-O 3.34Å
671	V	89.5	Confident	87	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	150.9	-173.3	-162.9	0	0	0	0	110.9	L613 I615 I618 A669 Y673 T691 A693 L695 T780 I781	L613-V671 HydrophobicContact CB-CG1 4.17Å; L613-V671 HydrophobicContact CD1-CG2 4.42Å; L613-V671 CarbonylContact O-C 3.57Å; L613-V671 WeakPolarHBondContact O-CA 3.13Å; I615-V671 HydrophobicContact CG1-CG1 3.89Å; I615-V671 VanDerWaalsContact O-CG1 3.3Å; I615-V671 WeakPolarHBondContact O-CG1 3.48Å; I618-V671 HydrophobicContact CD1-CB 3.87Å; I618-V671 HydrophobicContact CD1-CG1 3.47Å; I618-V671 VanDerWaalsContact CD1-CG1 3.47Å; I618-V671 HydrophobicContact CD1-CG2 4.08Å; I618-V671 HydrophobicContact CG1-CG1 3.67Å; A669-V671 HydrophobicContact CB-CG2 4.44Å; V671-Y673 PolarHBondContact O-N 3.4Å; V671-T691 PolarHBondContact N-O 3.17Å; V671-T691 PolarHBondContact O-N 3.12Å; V671-A693 HydrophobicContact CG2-CB 4.07Å; V671-L695 HydrophobicContact CG2-CD1 3.86Å; V671-L695 HydrophobicContact CG2-CD2 4.4Å; V671-L695 HydrophobicContact CG2-CG 4.42Å; V671-T780 PolarHBondContact O-OG1 3.2Å; V671-I781 HydrophobicContact CB-CG2 4.19Å; V671-I781 HydrophobicContact CG1-CG2 4.11Å
672	G	87.6	Confident	86.8	Confident	4 Å²	4	43.3 Å²	43.3	4%	0.041	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	60.5	34.8	-164.4	0	0	0	0	0	111.8	L613 I615 T780	L613-G672 PolarHBondContact O-N 2.83Å; I615-G672 VanDerWaalsContact O-CA 3.31Å; I615-G672 WeakPolarHBondContact O-CA 3.35Å; I615-G672 PolarHBondContact O-N 3.33Å; G672-T780 PolarHBondContact O-OG1 3.22Å
673	Y	91.9	Very high	86.8	Confident	18 Å²	18	43.3 Å²	43.3	7%	0.071	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	134.7	178.4	-179.4	-97	0	0	0	110.8	F612 L613 R655 I658 V670 V671 E675 V688 A689	F612-Y673 HydrophobicContact CB-CD1 4.11Å; F612-Y673 HydrophobicContact CB-CD2 4.15Å; F612-Y673 HydrophobicContact CB-CG 3.83Å; F612-Y673 HydrophobicContact CD2-CD1 4.2Å; F612-Y673 AromaticContact CD2-CD2 3.61Å; F612-Y673 HydrophobicContact CD2-CD2 3.61Å; F612-Y673 HydrophobicContact CD2-CE1 4.02Å; F612-Y673 AromaticContact CD2-CE2 3.4Å; F612-Y673 HydrophobicContact CD2-CE2 3.4Å; F612-Y673 VanDerWaalsContact CD2-CE2 3.4Å; F612-Y673 HydrophobicContact CD2-CG 4.01Å; F612-Y673 AromaticContact CD2-CZ 3.63Å; F612-Y673 HydrophobicContact CE2-CD2 4.2Å; F612-Y673 AromaticContact CE2-CE2 3.67Å; F612-Y673 HydrophobicContact CE2-CE2 3.67Å; F612-Y673 AromaticContact CG-CD2 3.94Å; F612-Y673 HydrophobicContact CG-CD2 3.94Å; F612-Y673 HydrophobicContact CG-CE2 4.2Å; F612-Y673 HydrophobicContact CG-CG 4.14Å; L613-Y673 PolarHBondContact O-N 3.46Å; R655-Y673 WeakPolarHBondContact CG-OH 3.25Å; I658-Y673 HydrophobicContact CD1-CE2 4.24Å; I658-Y673 HydrophobicContact CG2-CE2 4.41Å; V670-Y673 HydrophobicContact CG1-CD2 4.23Å; V671-Y673 PolarHBondContact O-N 3.4Å; Y673-E675 HydrophobicContact CD1-CG 4.5Å; Y673-E675 HydrophobicContact CE1-CG 3.51Å; Y673-E675 WeakPolarHBondContact CE1-OE1 3.2Å; Y673-E675 PolarHBondContact OH-OE1 2.97Å; Y673-V688 HydrophobicContact CE2-CB 4.19Å; Y673-V688 WeakPolarHBondContact OH-CG1 3.5Å; Y673-A689 CarbonylContact C-O 3.55Å; Y673-A689 VanDerWaalsContact CA-O 3.32Å; Y673-A689 WeakPolarHBondContact CA-O 3.49Å
674	R	91.5	Very high	87.1	Confident	58 Å²	58	39.4 Å²	39.4	22%	0.219	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	155.4	176.3	68.1	-175.4	-162.2	-103.1	-4	112.3	E676 V688 A689 L846	R674-E676 IonicContact CZ-OE1 2.86Å; R674-E676 IonicContact NE-OE1 3.99Å; R674-E676 PolarHBondContact NE-OE1 3.32Å; R674-E676 IonicContact NH2-OE1 3.87Å; R674-E676 PolarHBondContact NH2-OE1 3.26Å; R674-V688 WeakPolarHBondContact O-CA 3.38Å; R674-A689 HydrophobicContact CG-CB 4.39Å; R674-A689 PolarHBondContact N-O 3.16Å; R674-A689 PolarHBondContact O-N 3.27Å; R674-L846 PolarHBondContact NH1-O 3.02Å
675	E	92.7	Very high	87.6	Confident	71 Å²	71	37.3 Å²	37.3	33%	0.332	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	129.9	178.7	-49.1	-164.3	146	0	0	108.8	W651 R655 Y673 V688	W651-E675 HydrophobicContact CE3-CB 4.37Å; W651-E675 HydrophobicContact CH2-CB 3.8Å; W651-E675 HydrophobicContact CZ2-CB 4.45Å; W651-E675 HydrophobicContact CZ3-CB 3.77Å; W651-E675 HydrophobicContact CZ3-CG 4.4Å; R655-E675 IonicContact CZ-OE1 3.4Å; R655-E675 VanDerWaalsContact CZ-OE1 3.24Å; R655-E675 IonicContact CZ-OE2 3.73Å; R655-E675 IonicContact NE-OE1 2.69Å; R655-E675 PolarHBondContact NE-OE1 2.84Å; R655-E675 VanDerWaalsContact NH2-CD 3.25Å; R655-E675 IonicContact NH2-OE1 3.47Å; R655-E675 PolarHBondContact NH2-OE1 2.9Å; R655-E675 IonicContact NH2-OE2 2.65Å; R655-E675 PolarHBondContact NH2-OE2 2.9Å; Y673-E675 HydrophobicContact CD1-CG 4.5Å; Y673-E675 HydrophobicContact CE1-CG 3.51Å; Y673-E675 WeakPolarHBondContact CE1-OE1 3.2Å; Y673-E675 PolarHBondContact OH-OE1 2.97Å; E675-V688 HydrophobicContact CB-CG1 4.35Å; E675-V688 HydrophobicContact CG-CG1 4.05Å
676	E	91.4	Very high	88	Confident	41 Å²	41	36.1 Å²	36.1	19%	0.192	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	137.2	-176.8	-66.9	-179.9	-140.1	0	0	110.4	R674 S687	R674-E676 IonicContact CZ-OE1 2.86Å; R674-E676 IonicContact NE-OE1 3.99Å; R674-E676 PolarHBondContact NE-OE1 3.32Å; R674-E676 IonicContact NH2-OE1 3.87Å; R674-E676 PolarHBondContact NH2-OE1 3.26Å; E676-S687 PolarHBondContact N-O 2.97Å; E676-S687 PolarHBondContact O-N 3.17Å
677	V	90.9	Very high	88.6	Confident	63 Å²	63	33.1 Å²	33.1	38%	0.382	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	137.2	173.1	141.8	0	0	0	0	110.7	W651 I679 I685 L686	W651-V677 HydrophobicContact CH2-CG2 3.73Å; W651-V677 HydrophobicContact CZ2-CB 4.43Å; W651-V677 HydrophobicContact CZ2-CG2 3.52Å; V677-I679 HydrophobicContact CG1-CD1 4.09Å; V677-I679 HydrophobicContact CG1-CG1 3.7Å; V677-I685 WeakPolarHBondContact CA-O 3.43Å; V677-L686 HydrophobicContact CG2-CB 4.23Å; V677-L686 HydrophobicContact CG2-CD2 3.75Å; V677-L686 HydrophobicContact CG2-CG 3.81Å
678	K	90.7	Very high	89.1	Confident	89 Å²	89	33.1 Å²	33.1	39%	0.387	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	124.3	168.7	-64.1	-68.6	-172.6	177.6	0	109.5	C684 I685 F850	K678-C684 WeakPolarHBondContact O-CA 3.45Å; K678-I685 PolarHBondContact N-O 3.27Å; K678-I685 PolarHBondContact O-N 3.31Å; K678-F850 VanDerWaalsContact CE-O 3.32Å; K678-F850 WeakPolarHBondContact CE-O 3.49Å; K678-F850 HydrophobicContact CG-CB 4.13Å; K678-F850 WeakPolarHBondContact CG-O 3.49Å
679	I	87.6	Confident	89.8	Confident	111 Å²	111	31.8 Å²	31.8	57%	0.569	18%	0.175	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-109.5	138.6	-177.6	-49.6	-178.6	0	0	0	108.9	V677 G681 C684	V677-I679 HydrophobicContact CG1-CD1 4.09Å; V677-I679 HydrophobicContact CG1-CG1 3.7Å; I679-G681 WeakPolarHBondContact CG2-O 3.45Å; I679-C684 HydrophobicContact CG1-CB 3.98Å
680	S	83.5	Confident	90.1	Very high	27 Å²	27	31.8 Å²	31.8	19%	0.189	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	95.7	177.2	-168.7	0	0	0	0	109.1	T683 I852	S680-T683 PolarHBondContact N-O 3.02Å; S680-T683 PolarHBondContact O-N 3.33Å; S680-I852 WeakPolarHBondContact OG-CG2 3.35Å
681	G	82.4	Confident	90.3	Very high	69 Å²	69	31.8 Å²	31.8	71%	0.711	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.6	-133.8	-166.5	0	0	0	0	0	111	I679 T683	I679-G681 WeakPolarHBondContact CG2-O 3.45Å; G681-T683 PolarHBondContact O-N 3.21Å
682	E	86	Confident	90.4	Very high	95 Å²	95	31.8 Å²	31.8	44%	0.444	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-11.6	177.4	-62.1	173	-164	0	0	114.4	L637 V638 G809	L637-E682 CarbonylContact C-O 3.55Å; L637-E682 WeakPolarHBondContact CA-O 3.48Å; L637-E682 HydrophobicContact CG-CB 4.31Å; V638-E682 PolarHBondContact N-O 3.44Å; E682-G809 WeakPolarHBondContact OE2-CA 3.44Å
683	T	87.5	Confident	90.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	131	-175.1	-51.7	0	0	0	0	111.1	V635 S680 G681 G809 A813 I816	V635-T683 HydrophobicContact CG1-CG2 3.69Å; S680-T683 PolarHBondContact N-O 3.02Å; S680-T683 PolarHBondContact O-N 3.33Å; G681-T683 PolarHBondContact O-N 3.21Å; T683-G809 PolarHBondContact OG1-O 2.55Å; T683-A813 HydrophobicContact CG2-CB 3.84Å; T683-I816 HydrophobicContact CG2-CD1 4.25Å
684	C	89.2	Confident	90.2	Very high	5 Å²	5	31.8 Å²	31.8	3%	0.034	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	143	167.1	67	0	0	0	0	112	V635 K636 V638 K678 I679	V635-C684 WeakPolarHBondContact CA-O 3.42Å; K636-C684 PolarHBondContact N-O 3.14Å; K636-C684 PolarHBondContact O-N 3.38Å; V638-C684 HydrophobicContact CG2-CB 4.14Å; K678-C684 WeakPolarHBondContact O-CA 3.45Å; I679-C684 HydrophobicContact CG1-CB 3.98Å
685	I	92.3	Very high	89.6	Confident	2 Å²	2	29 Å²	29	1%	0.01	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	123.8	161.6	-55.1	175.6	0	0	0	106.2	V677 K678 I816 L820 F850 I852 L857	V677-I685 WeakPolarHBondContact CA-O 3.43Å; K678-I685 PolarHBondContact N-O 3.27Å; K678-I685 PolarHBondContact O-N 3.31Å; I685-I816 HydrophobicContact CD1-CG2 3.68Å; I685-I816 HydrophobicContact CG1-CG2 3.96Å; I685-L820 HydrophobicContact CG2-CD1 4.35Å; I685-F850 HydrophobicContact CD1-CD1 4.33Å; I685-I852 HydrophobicContact CD1-CD1 3.75Å; I685-I852 HydrophobicContact CD1-CG1 4.18Å; I685-I852 HydrophobicContact CG1-CD1 4Å; I685-L857 HydrophobicContact CD1-CD1 4.37Å
686	L	92.9	Very high	88.6	Confident	5 Å²	5	27.8 Å²	27.8	3%	0.026	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	134.5	165.9	-55.2	113.4	0	0	0	107.4	H633 S634 K636 W650 W651 L654 V677	H633-L686 CarbonylContact C-O 3.57Å; H633-L686 WeakPolarHBondContact CA-O 3.43Å; S634-L686 PolarHBondContact N-O 2.66Å; S634-L686 PolarHBondContact O-N 3.11Å; K636-L686 HydrophobicContact CB-CD1 3.93Å; K636-L686 HydrophobicContact CG-CD1 3.38Å; W650-L686 HydrophobicContact CE3-CD1 4.21Å; W651-L686 HydrophobicContact CD2-CD2 3.91Å; W651-L686 HydrophobicContact CE3-CD2 4.19Å; W651-L686 HydrophobicContact CH2-CB 4.2Å; W651-L686 HydrophobicContact CH2-CD2 3.98Å; W651-L686 HydrophobicContact CZ2-CD2 3.68Å; W651-L686 HydrophobicContact CZ3-CB 4.1Å; W651-L686 HydrophobicContact CZ3-CD2 4.2Å; L654-L686 HydrophobicContact CD1-CB 3.59Å; V677-L686 HydrophobicContact CG2-CB 4.23Å; V677-L686 HydrophobicContact CG2-CD2 3.75Å; V677-L686 HydrophobicContact CG2-CG 3.81Å
687	S	93.3	Very high	87.3	Confident	3 Å²	3	27.6 Å²	27.6	2%	0.021	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	140	179	-174.7	0	0	0	0	109.5	H633 E676	H633-S687 PolarHBondContact CE1-OG 3.31Å; H633-S687 VanDerWaalsContact CE1-OG 3.24Å; H633-S687 PolarHBondContact ND1-OG 3.45Å; E676-S687 PolarHBondContact N-O 2.97Å; E676-S687 PolarHBondContact O-N 3.17Å
688	V	94.1	Very high	85.3	Confident	1 Å²	1	28.7 Å²	28.7	1%	0.006	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	145.6	171.5	-64.7	0	0	0	0	109.1	A631 A632 W651 L654 I658 Y673 R674 E675	A631-V688 VanDerWaalsContact CA-O 3.27Å; A631-V688 WeakPolarHBondContact CA-O 3.39Å; A632-V688 HydrophobicContact CB-CG2 3.62Å; A632-V688 PolarHBondContact N-O 2.92Å; A632-V688 PolarHBondContact O-N 3.41Å; W651-V688 HydrophobicContact CE3-CG1 3.93Å; W651-V688 HydrophobicContact CZ3-CG1 3.68Å; L654-V688 HydrophobicContact CB-CG1 4.14Å; L654-V688 HydrophobicContact CB-CG2 3.87Å; L654-V688 HydrophobicContact CD1-CG1 4.36Å; L654-V688 HydrophobicContact CD2-CG2 4.31Å; I658-V688 HydrophobicContact CD1-CB 3.86Å; I658-V688 HydrophobicContact CD1-CG2 3.43Å; I658-V688 VanDerWaalsContact CD1-CG2 3.43Å; I658-V688 HydrophobicContact CG1-CG2 3.83Å; Y673-V688 HydrophobicContact CE2-CB 4.19Å; Y673-V688 WeakPolarHBondContact OH-CG1 3.5Å; R674-V688 WeakPolarHBondContact O-CA 3.38Å; E675-V688 HydrophobicContact CB-CG1 4.35Å; E675-V688 HydrophobicContact CG-CG1 4.05Å
689	A	93.7	Very high	83.4	Confident	5 Å²	5	28 Å²	28	4%	0.041	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	150.2	-179.3	0	0	0	0	0	111.8	V630 Y673 R674 T780	V630-A689 CarbonylContact O-C 3.59Å; V630-A689 WeakPolarHBondContact O-CA 3.4Å; Y673-A689 CarbonylContact C-O 3.55Å; Y673-A689 VanDerWaalsContact CA-O 3.32Å; Y673-A689 WeakPolarHBondContact CA-O 3.49Å; R674-A689 HydrophobicContact CG-CB 4.39Å; R674-A689 PolarHBondContact N-O 3.16Å; R674-A689 PolarHBondContact O-N 3.27Å; A689-T780 HydrophobicContact CB-CG2 4.36Å
690	G	94.1	Very high	81.4	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.7	-172.2	174.1	0	0	0	0	0	112	A629 V630 T780	A629-G690 CarbonylContact C-O 3.58Å; A629-G690 VanDerWaalsContact CA-O 3.28Å; A629-G690 WeakPolarHBondContact CA-O 3.17Å; V630-G690 PolarHBondContact N-O 3.32Å; V630-G690 PolarHBondContact O-N 3.05Å; G690-T780 WeakPolarHBondContact CA-OG1 3.38Å; G690-T780 WeakPolarHBondContact O-CG2 3.3Å
691	T	93.8	Very high	79.2	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	121	175.6	-53.7	0	0	0	0	109.3	L626 G628 V670 V671 C779 T780 I781	L626-T691 HydrophobicContact CD2-CG2 4.09Å; G628-T691 CarbonylContact O-C 3.44Å; V670-T691 CarbonylContact C-O 3.37Å; V670-T691 WeakPolarHBondContact CA-O 3.34Å; V671-T691 PolarHBondContact N-O 3.17Å; V671-T691 PolarHBondContact O-N 3.12Å; T691-C779 HydrophobicContact CG2-CB 4.14Å; T691-T780 PolarHBondContact N-OG1 3.36Å; T691-T780 PolarHBondContact OG1-N 3.41Å; T691-T780 PolarHBondContact OG1-OG1 3.19Å; T691-I781 HydrophobicContact CG2-CG1 4.39Å; T691-I781 PolarHBondContact OG1-N 3.41Å
692	A	92.3	Very high	77	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	127.7	175.9	0	0	0	0	0	110.3	V627 G628 V630 L665 C667	V627-A692 PolarHBondContact N-O 2.83Å; V627-A692 VanDerWaalsContact N-O 3.13Å; G628-A692 PolarHBondContact O-N 2.85Å; V630-A692 HydrophobicContact CG1-CB 3.91Å; V630-A692 HydrophobicContact CG2-CB 4.45Å; L665-A692 HydrophobicContact CB-CB 4.47Å; L665-A692 HydrophobicContact CD1-CB 3.56Å; C667-A692 HydrophobicContact CB-CB 3.94Å; C667-A692 VanDerWaalsContact SG-C 3.56Å
693	A	89.3	Confident	74.6	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	160.7	-174.7	0	0	0	0	0	112.4	L623 H625 L626 C667 N668 A669 V671 L695	L623-A693 HydrophobicContact CD1-CB 4.12Å; H625-A693 CarbonylContact O-C 3.5Å; H625-A693 VanDerWaalsContact O-CA 3.31Å; H625-A693 WeakPolarHBondContact O-CA 3.48Å; H625-A693 WeakPolarHBondContact O-CB 3.2Å; L626-A693 HydrophobicContact CD2-CB 4.13Å; C667-A693 VanDerWaalsContact CB-O 3.28Å; C667-A693 WeakPolarHBondContact CB-O 3.39Å; C667-A693 PolarHBondContact SG-N 3.33Å; N668-A693 PolarHBondContact N-O 2.92Å; N668-A693 VanDerWaalsContact N-O 3.07Å; N668-A693 PolarHBondContact OD1-O 3.5Å; A669-A693 PolarHBondContact N-O 3.45Å; A669-A693 VanDerWaalsContact N-O 3.09Å; A669-A693 PolarHBondContact O-N 3.13Å; V671-A693 HydrophobicContact CG2-CB 4.07Å; A693-L695 HydrophobicContact CB-CD2 4.18Å; A693-L695 HydrophobicContact CB-CG 4.48Å
694	V	84.6	Confident	72.2	Confident	22 Å²	22	28.9 Å²	28.9	13%	0.133	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	114.1	165.4	-173.4	0	0	0	0	107.8	I624 H625 N668 P750	I624-V694 WeakPolarHBondContact CA-O 3.38Å; I624-V694 HydrophobicContact CB-CB 4.4Å; I624-V694 HydrophobicContact CB-CG1 4.26Å; I624-V694 WeakPolarHBondContact CB-O 3.49Å; I624-V694 HydrophobicContact CD1-CG1 4.04Å; I624-V694 PolarHBondContact N-O 3.23Å; H625-V694 HydrophobicContact CB-CB 4Å; H625-V694 HydrophobicContact CB-CG2 4.03Å; H625-V694 PolarHBondContact N-O 3.28Å; H625-V694 PolarHBondContact O-N 3.06Å; N668-V694 WeakPolarHBondContact OD1-CA 3.25Å; V694-P750 HydrophobicContact CG2-CB 4.44Å; V694-P750 HydrophobicContact CG2-CG 3.86Å
695	L	78.9	Confident	69.7	Low	1 Å²	1	31.5 Å²	31.5	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	147.5	179.8	-57.2	-175.7	0	0	0	112.3	L613 I618 L622 L623 N668 A669 V671 A693 F697	L613-L695 HydrophobicContact CD1-CD1 3.55Å; I618-L695 HydrophobicContact CG2-CD2 4.32Å; L622-L695 HydrophobicContact CD1-CB 4.34Å; L622-L695 HydrophobicContact CD2-CD1 4.43Å; L622-L695 HydrophobicContact CG-CB 4.3Å; L622-L695 HydrophobicContact CG-CD1 4.4Å; L622-L695 HydrophobicContact CG-CD2 4.38Å; L622-L695 CarbonylContact O-C 3.46Å; L622-L695 WeakPolarHBondContact O-CA 3.26Å; L622-L695 WeakPolarHBondContact O-CB 3.5Å; L622-L695 WeakPolarHBondContact O-CD2 3.49Å; L623-L695 HydrophobicContact CB-CD2 4.37Å; L623-L695 HydrophobicContact CD1-CD2 3.61Å; N668-L695 PolarHBondContact ND2-O 2.93Å; N668-L695 PolarHBondContact OD1-N 3.26Å; A669-L695 HydrophobicContact CB-CB 4.48Å; A669-L695 HydrophobicContact CB-CD1 3.58Å; A669-L695 HydrophobicContact CB-CG 3.84Å; V671-L695 HydrophobicContact CG2-CD1 3.86Å; V671-L695 HydrophobicContact CG2-CD2 4.4Å; V671-L695 HydrophobicContact CG2-CG 4.42Å; A693-L695 HydrophobicContact CB-CD2 4.18Å; A693-L695 HydrophobicContact CB-CG 4.48Å; L695-F697 HydrophobicContact CB-CD2 4.43Å; L695-F697 HydrophobicContact CB-CE2 4.04Å; L695-F697 HydrophobicContact CB-CZ 4.11Å; L695-F697 HydrophobicContact CD1-CE1 4.21Å; L695-F697 HydrophobicContact CD1-CZ 3.92Å; L695-F697 PolarHBondContact O-N 2.9Å
696	D	71.2	Confident	66.9	Low	45 Å²	45	36.6 Å²	36.6	24%	0.241	21%	0.208	C	C	.	.			trans	-94.6	82.9	174.1	-163.2	-16.8	0	0	0	112.4	L622 I624 T698 I699	L622-D696 WeakPolarHBondContact CD1-O 3.27Å; L622-D696 PolarHBondContact O-N 3.47Å; I624-D696 HydrophobicContact CD1-CB 3.86Å; I624-D696 HydrophobicContact CG1-CB 4.05Å; D696-T698 VanDerWaalsContact CG-OG1 3.31Å; D696-T698 PolarHBondContact O-N 3.03Å; D696-T698 VanDerWaalsContact O-N 3.07Å; D696-T698 VanDerWaalsContact OD1-CB 3.26Å; D696-T698 WeakPolarHBondContact OD1-CB 3.5Å; D696-T698 WeakPolarHBondContact OD1-CG2 3.24Å; D696-T698 PolarHBondContact OD1-N 3.15Å; D696-T698 PolarHBondContact OD1-OG1 3.06Å; D696-T698 PolarHBondContact OD2-OG1 2.7Å; D696-I699 HydrophobicContact CB-CD1 3.86Å; D696-I699 HydrophobicContact CB-CG1 4.29Å; D696-I699 PolarHBondContact O-N 3.28Å
697	F	64.6	Low	63.9	Low	37 Å²	37	43.3 Å²	43.3	16%	0.162	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-65.5	-4	175.4	-60.6	-74.5	0	0	0	114.4	F512 A669 L695 I699 L700	F512-F697 HydrophobicContact CE2-CB 4.14Å; A669-F697 HydrophobicContact CB-CE2 4.24Å; A669-F697 HydrophobicContact CB-CZ 3.93Å; L695-F697 HydrophobicContact CB-CD2 4.43Å; L695-F697 HydrophobicContact CB-CE2 4.04Å; L695-F697 HydrophobicContact CB-CZ 4.11Å; L695-F697 HydrophobicContact CD1-CE1 4.21Å; L695-F697 HydrophobicContact CD1-CZ 3.92Å; L695-F697 PolarHBondContact O-N 2.9Å; F697-I699 PolarHBondContact O-N 2.81Å; F697-L700 HydrophobicContact CD1-CD1 3.99Å
698	T	49.8	Very low	61.1	Low	85 Å²	85	46.4 Å²	46.4	52%	0.521	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-70.4	-21.8	173.3	69.9	0	0	0	0	113.2	F512 D696 L700	F512-T698 HydrophobicContact CB-CG2 4.29Å; F512-T698 HydrophobicContact CD2-CG2 3.55Å; F512-T698 HydrophobicContact CE2-CG2 4.34Å; F512-T698 HydrophobicContact CG-CG2 4.34Å; D696-T698 VanDerWaalsContact CG-OG1 3.31Å; D696-T698 PolarHBondContact O-N 3.03Å; D696-T698 VanDerWaalsContact O-N 3.07Å; D696-T698 VanDerWaalsContact OD1-CB 3.26Å; D696-T698 WeakPolarHBondContact OD1-CB 3.5Å; D696-T698 WeakPolarHBondContact OD1-CG2 3.24Å; D696-T698 PolarHBondContact OD1-N 3.15Å; D696-T698 PolarHBondContact OD1-OG1 3.06Å; D696-T698 PolarHBondContact OD2-OG1 2.7Å; T698-L700 VanDerWaalsContact C-N 3.28Å
699	I	50.9	Low	58.2	Low	76 Å²	76	52.4 Å²	52.4	39%	0.39	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-77.8	-18.3	-177.7	-59.3	171.8	0	0	0	111.2	S621 D696 F697	S621-I699 WeakPolarHBondContact O-CD1 3.25Å; D696-I699 HydrophobicContact CB-CD1 3.86Å; D696-I699 HydrophobicContact CB-CG1 4.29Å; D696-I699 PolarHBondContact O-N 3.28Å; F697-I699 PolarHBondContact O-N 2.81Å
700	L	44.2	Very low	55.4	Low	63 Å²	63	58.9 Å²	58.9	33%	0.33	32%	0.319	S	S	.	.	S	Bend	trans	-77.5	124.9	172.1	-62.4	-178	0	0	0	110	F697 T698 I704	F697-L700 HydrophobicContact CD1-CD1 3.99Å; T698-L700 VanDerWaalsContact C-N 3.28Å; L700-I704 HydrophobicContact CB-CD1 4.37Å; L700-I704 HydrophobicContact CD2-CD1 4.32Å
701	P	38	Very low	52.2	Low	40 Å²	40	68.6 Å²	68.6	26%	0.26	36%	0.361	S	S	.	.			trans	-64.8	142.2	-179.3	26.3	-33.7	0	0	0	111.2	S703 I704 W727	P701-S703 PolarHBondContact O-N 2.92Å; P701-I704 HydrophobicContact CG-CD1 4.33Å; P701-I704 PolarHBondContact O-N 3.48Å; P701-W727 HydrophobicContact CB-CH2 4.03Å; P701-W727 HydrophobicContact CB-CZ3 4.25Å; P701-W727 HydrophobicContact CG-CE3 4.18Å; P701-W727 HydrophobicContact CG-CH2 4.03Å; P701-W727 HydrophobicContact CG-CZ3 3.81Å
702	S	36.4	Very low	49.2	Very low	67 Å²	67	74.5 Å²	74.5	47%	0.469	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-19.9	-170.5	-41	0	0	0	0	115.2	I704 I705 I706	S702-I704 VanDerWaalsContact C-N 3.27Å; S702-I704 PolarHBondContact O-N 2.7Å; S702-I705 PolarHBondContact O-N 3.19Å; S702-I706 WeakPolarHBondContact O-CG1 3.23Å; S702-I706 PolarHBondContact O-N 3.43Å; S702-I706 VanDerWaalsContact O-N 3.1Å
703	S	35.4	Very low	46.2	Very low	66 Å²	66	82.5 Å²	82.5	46%	0.462	44%	0.44	S	S	.	.	H	α-helix	trans	-57.1	-35.7	173.5	44.7	0	0	0	0	113.3	P701 I705 I706 H707	P701-S703 PolarHBondContact O-N 2.92Å; S703-I705 VanDerWaalsContact C-N 3.3Å; S703-I705 PolarHBondContact O-N 2.88Å; S703-I706 PolarHBondContact O-N 2.98Å; S703-H707 PolarHBondContact O-CD2 3.34Å; S703-H707 PolarHBondContact O-N 3.45Å
704	I	37.1	Very low	43.4	Very low	83 Å²	83	85.4 Å²	85.4	43%	0.426	47%	0.47	S	S	.	.	H	α-helix	trans	-65.4	-36.7	178.2	-61.7	177.1	0	0	0	110.7	L700 P701 S702	L700-I704 HydrophobicContact CB-CD1 4.37Å; L700-I704 HydrophobicContact CD2-CD1 4.32Å; P701-I704 HydrophobicContact CG-CD1 4.33Å; P701-I704 PolarHBondContact O-N 3.48Å; S702-I704 VanDerWaalsContact C-N 3.27Å; S702-I704 PolarHBondContact O-N 2.7Å
705	I	36.3	Very low	40.7	Very low	60 Å²	60	90.6 Å²	90.6	31%	0.308	51%	0.505	S	S	.	.	H	α-helix	trans	-76.9	-30.6	179.6	-58.8	175.3	0	0	0	111.3	A515 V606 S702 S703 S708	A515-I705 HydrophobicContact CB-CG2 3.83Å; V606-I705 HydrophobicContact CG2-CG2 4.4Å; S702-I705 PolarHBondContact O-N 3.19Å; S703-I705 VanDerWaalsContact C-N 3.3Å; S703-I705 PolarHBondContact O-N 2.88Å; I705-S708 PolarHBondContact O-OG 3.28Å
706	I	33.4	Very low	38.5	Very low	109 Å²	109	96.5 Å²	96.5	56%	0.559	54%	0.535	S	S	*	.	H	α-helix	trans	-71.2	-34.1	-180	-69.7	163.4	0	0	0	112	S702 S703 S708	S702-I706 WeakPolarHBondContact O-CG1 3.23Å; S702-I706 PolarHBondContact O-N 3.43Å; S702-I706 VanDerWaalsContact O-N 3.1Å; S703-I706 PolarHBondContact O-N 2.98Å; I706-S708 VanDerWaalsContact C-N 3.35Å; I706-S708 PolarHBondContact O-N 2.95Å
707	H	31.4	Very low	36.6	Very low	146 Å²	146	101.7 Å²	101.7	68%	0.676	56%	0.558	S	S	*	*	H	α-helix	trans	-74.6	-18.4	-178.2	-88.9	-85.1	0	0	0	114.7	S703 K709	S703-H707 PolarHBondContact O-CD2 3.34Å; S703-H707 PolarHBondContact O-N 3.45Å; H707-K709 PolarHBondContact O-N 3.34Å; H707-K709 VanDerWaalsContact O-N 3.12Å
708	S	33.9	Very low	35.2	Very low	69 Å²	69	104.7 Å²	104.7	48%	0.483	58%	0.579	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.5	1.8	-172.4	74.1	0	0	0	0	115.5	I705 I706	I705-S708 PolarHBondContact O-OG 3.28Å; I706-S708 VanDerWaalsContact C-N 3.35Å; I706-S708 PolarHBondContact O-N 2.95Å
709	K	33.4	Very low	34.2	Very low	127 Å²	127	104.9 Å²	104.9	55%	0.552	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.9	14.9	-176.2	-132	177.1	-169.4	-178.7	0	115.2	E604 H707	E604-K709 IonicContact OE1-NZ 3.72Å; E604-K709 PolarHBondContact OE1-NZ 3.49Å; E604-K709 IonicContact OE2-NZ 3.35Å; E604-K709 PolarHBondContact OE2-NZ 2.88Å; H707-K709 PolarHBondContact O-N 3.34Å; H707-K709 VanDerWaalsContact O-N 3.12Å
710	I	33.9	Very low	33.5	Very low	140 Å²	140	105.8 Å²	105.8	72%	0.718	59%	0.586	S	S	*	*	S	Bend	trans	-113.7	57.7	174.3	-42.6	-177.4	0	0	0	111.6
711	K	28.6	Very low	33	Very low	204 Å²	204	107.7 Å²	107.7	89%	0.887	60%	0.604	S	S	*	*	S	Bend	trans	-162.7	136.7	150.1	-109	163.9	-173.4	177.1	0	108.9
712	T	31	Very low	32.9	Very low	125 Å²	125	110.5 Å²	110.5	77%	0.767	63%	0.625	S	S	*	*	S	Bend	trans	-75.3	142.3	172.2	45.4	0	0	0	0	110.1
713	D	28.4	Very low	32.8	Very low	167 Å²	167	110.6 Å²	110.6	89%	0.893	62%	0.623	S	S	*	*	S	Bend	trans	49.6	69.6	159.9	-49.4	-28.4	0	0	0	116.3
714	G	29.5	Very low	32.8	Very low	62 Å²	62	113.9 Å²	113.9	64%	0.639	64%	0.635	S	S	*	*	S	Bend	trans	-163.2	152.8	167.5	0	0	0	0	0	112.5
715	P	28.2	Very low	32.7	Very low	131 Å²	131	116.8 Å²	116.8	85%	0.851	65%	0.647	S	S	*	*			trans	-65	144.7	176	27.9	-34.2	0	0	0	111.3	H717	P715-H717 PolarHBondContact O-N 2.93Å
716	L	32.7	Very low	32.6	Very low	124 Å²	124	122 Å²	122	65%	0.649	66%	0.663	S	S	*	*			trans	-69.1	93.7	-168.9	-169.7	80.3	0	0	0	113	V718	L716-V718 HydrophobicContact CD2-CG2 3.98Å; L716-V718 HydrophobicContact CG-CG2 4.19Å; L716-V718 PolarHBondContact O-N 2.81Å
717	H	31.6	Very low	32.8	Very low	155 Å²	155	123.6 Å²	123.6	72%	0.718	66%	0.662	S	S	*	*			trans	-82.8	101.2	169.7	-161.1	-91.1	0	0	0	110.3	P715 D719	P715-H717 PolarHBondContact O-N 2.93Å; H717-D719 IonicContact ND1-OD2 3.91Å; H717-D719 PolarHBondContact O-N 3.32Å; H717-D719 VanDerWaalsContact O-N 3.08Å
718	V	35.4	Very low	33.1	Very low	100 Å²	100	121.4 Å²	121.4	61%	0.606	65%	0.654	S	S	*	*			trans	-76	94.6	174.6	-179.1	0	0	0	0	108.8	L716 T720	L716-V718 HydrophobicContact CD2-CG2 3.98Å; L716-V718 HydrophobicContact CG-CG2 4.19Å; L716-V718 PolarHBondContact O-N 2.81Å; V718-T720 HydrophobicContact CG1-CG2 4.44Å; V718-T720 PolarHBondContact O-N 2.85Å
719	D	29.1	Very low	33.2	Very low	88 Å²	88	124.9 Å²	124.9	47%	0.471	66%	0.661	S	S	.	*			trans	-79.7	88.9	-174.2	-151.8	-38.1	0	0	0	112.3	H717 S721 S722	H717-D719 IonicContact ND1-OD2 3.91Å; H717-D719 PolarHBondContact O-N 3.32Å; H717-D719 VanDerWaalsContact O-N 3.08Å; D719-S721 PolarHBondContact O-N 3.29Å; D719-S721 VanDerWaalsContact O-N 3.12Å; D719-S721 VanDerWaalsContact OD1-CB 3.27Å; D719-S721 WeakPolarHBondContact OD1-CB 3.31Å; D719-S721 PolarHBondContact OD1-N 2.6Å; D719-S721 PolarHBondContact OD1-OG 3.06Å; D719-S722 PolarHBondContact O-OG 2.92Å; D719-S722 VanDerWaalsContact O-OG 3.12Å
720	T	36.6	Very low	33.3	Very low	96 Å²	96	122.6 Å²	122.6	59%	0.589	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-66.8	-7.3	-177.8	49.4	0	0	0	0	114.2	V718 S722 V723	V718-T720 HydrophobicContact CG1-CG2 4.44Å; V718-T720 PolarHBondContact O-N 2.85Å; T720-S722 PolarHBondContact O-N 2.77Å; T720-S722 VanDerWaalsContact O-N 3.17Å; T720-V723 WeakPolarHBondContact O-CB 3.44Å; T720-V723 PolarHBondContact O-N 3.07Å
721	S	33	Very low	33.4	Very low	102 Å²	102	117.8 Å²	117.8	71%	0.713	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-58.5	-24.7	175.5	62.2	0	0	0	0	113.7	D719	D719-S721 PolarHBondContact O-N 3.29Å; D719-S721 VanDerWaalsContact O-N 3.12Å; D719-S721 VanDerWaalsContact OD1-CB 3.27Å; D719-S721 WeakPolarHBondContact OD1-CB 3.31Å; D719-S721 PolarHBondContact OD1-N 2.6Å; D719-S721 PolarHBondContact OD1-OG 3.06Å
722	S	35.4	Very low	33.8	Very low	100 Å²	100	113.9 Å²	113.9	70%	0.699	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-89	-3.6	178	62.1	0	0	0	0	114.3	D719 T720 N724	D719-S722 PolarHBondContact O-OG 2.92Å; D719-S722 VanDerWaalsContact O-OG 3.12Å; T720-S722 PolarHBondContact O-N 2.77Å; T720-S722 VanDerWaalsContact O-N 3.17Å; S722-N724 PolarHBondContact O-N 2.78Å
723	V	36	Very low	34	Very low	69 Å²	69	110.9 Å²	110.9	42%	0.418	61%	0.606	S	S	.	*	S	Bend	trans	-79.1	108.9	178.6	180	0	0	0	0	109.5	T720 H725	T720-V723 WeakPolarHBondContact O-CB 3.44Å; T720-V723 PolarHBondContact O-N 3.07Å; V723-H725 PolarHBondContact O-N 3.26Å
724	N	34.1	Very low	34.4	Very low	135 Å²	135	110 Å²	110	72%	0.722	60%	0.601	S	S	*	*			trans	-55.8	105.2	169.1	-105.6	-54.6	0	0	0	110	S722 R726 W727	S722-N724 PolarHBondContact O-N 2.78Å; N724-R726 PolarHBondContact O-N 3.12Å; N724-W727 PolarHBondContact O-N 2.67Å; N724-W727 VanDerWaalsContact O-N 3.09Å
725	H	34.6	Very low	35	Very low	144 Å²	144	109.6 Å²	109.6	67%	0.667	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.1	-22	-174.3	-83.7	-98.6	0	0	0	114.6	V723 W727 L728	V723-H725 PolarHBondContact O-N 3.26Å; H725-W727 PolarHBondContact O-N 2.73Å; H725-L728 PolarHBondContact O-N 3.34Å
726	R	35	Very low	35.2	Very low	170 Å²	170	112 Å²	112	64%	0.642	58%	0.584	S	S	*	*	H	α-helix	trans	-49.8	-36.9	172.8	-179.5	174.6	171.8	146.1	5.2	114.4	N724 L728 F729 E730	N724-R726 PolarHBondContact O-N 3.12Å; R726-L728 VanDerWaalsContact C-N 3.32Å; R726-L728 PolarHBondContact O-N 2.77Å; R726-F729 PolarHBondContact O-N 3Å; R726-F729 VanDerWaalsContact O-N 3.13Å; R726-E730 HydrophobicContact CG-CG 4.44Å; R726-E730 IonicContact CZ-OE1 3.48Å; R726-E730 IonicContact NE-OE1 3.69Å; R726-E730 PolarHBondContact NE-OE1 2.88Å; R726-E730 IonicContact NE-OE2 3.82Å; R726-E730 IonicContact NH2-OE1 3.32Å; R726-E730 PolarHBondContact NH2-OE1 3.08Å; R726-E730 PolarHBondContact O-N 3.47Å
727	W	38.2	Very low	35.2	Very low	142 Å²	142	109 Å²	109	54%	0.538	58%	0.583	S	S	.	*	H	α-helix	trans	-67.5	-28.9	-177.2	-101.1	61.1	0	0	0	113.7	P701 N724 H725 F729 A731	P701-W727 HydrophobicContact CB-CH2 4.03Å; P701-W727 HydrophobicContact CB-CZ3 4.25Å; P701-W727 HydrophobicContact CG-CE3 4.18Å; P701-W727 HydrophobicContact CG-CH2 4.03Å; P701-W727 HydrophobicContact CG-CZ3 3.81Å; N724-W727 PolarHBondContact O-N 2.67Å; N724-W727 VanDerWaalsContact O-N 3.09Å; H725-W727 PolarHBondContact O-N 2.73Å; W727-F729 VanDerWaalsContact C-N 3.26Å; W727-F729 PolarHBondContact O-N 2.86Å; W727-A731 WeakPolarHBondContact O-CB 3.37Å; W727-A731 PolarHBondContact O-N 2.87Å
728	L	36.4	Very low	35.5	Very low	100 Å²	100	105.2 Å²	105.2	52%	0.524	57%	0.571	S	S	.	*	H	α-helix	trans	-65.4	-30.5	173.5	-87.6	159.3	0	0	0	112.2	H725 R726	H725-L728 PolarHBondContact O-N 3.34Å; R726-L728 VanDerWaalsContact C-N 3.32Å; R726-L728 PolarHBondContact O-N 2.77Å
729	F	35.8	Very low	35.5	Very low	142 Å²	142	107.2 Å²	107.2	62%	0.623	58%	0.578	S	S	*	*	H	α-helix	trans	-84.1	-38.8	176.2	-70.7	-78.6	0	0	0	112.9	R726 W727 A731 Q732 A733	R726-F729 PolarHBondContact O-N 3Å; R726-F729 VanDerWaalsContact O-N 3.13Å; W727-F729 VanDerWaalsContact C-N 3.26Å; W727-F729 PolarHBondContact O-N 2.86Å; F729-A731 PolarHBondContact O-N 3.42Å; F729-Q732 WeakPolarHBondContact O-CB 3.34Å; F729-Q732 PolarHBondContact O-N 3.19Å; F729-A733 PolarHBondContact O-N 3.48Å; F729-A733 VanDerWaalsContact O-N 3.1Å
730	E	36.7	Very low	36.1	Very low	78 Å²	78	110.8 Å²	110.8	36%	0.364	60%	0.597	S	S	.	*	H	α-helix	trans	-65.9	-28.5	175.4	-77.4	172.5	164.2	0	0	112	R726 Q732 A733 L734	R726-E730 HydrophobicContact CG-CG 4.44Å; R726-E730 IonicContact CZ-OE1 3.48Å; R726-E730 IonicContact NE-OE1 3.69Å; R726-E730 PolarHBondContact NE-OE1 2.88Å; R726-E730 IonicContact NE-OE2 3.82Å; R726-E730 IonicContact NH2-OE1 3.32Å; R726-E730 PolarHBondContact NH2-OE1 3.08Å; R726-E730 PolarHBondContact O-N 3.47Å; E730-Q732 VanDerWaalsContact C-N 3.34Å; E730-A733 PolarHBondContact O-N 3.38Å; E730-L734 PolarHBondContact O-N 3Å
731	A	35.8	Very low	36.2	Very low	40 Å²	40	113.1 Å²	113.1	33%	0.331	61%	0.605	S	S	.	*	H	α-helix	trans	-69.1	-26.1	169.3	0	0	0	0	0	114	W727 F729	W727-A731 WeakPolarHBondContact O-CB 3.37Å; W727-A731 PolarHBondContact O-N 2.87Å; F729-A731 PolarHBondContact O-N 3.42Å
732	Q	35.9	Very low	37.2	Very low	121 Å²	121	112.5 Å²	112.5	57%	0.565	59%	0.587	S	S	*	*	H	α-helix	trans	-76.8	-39.1	173	-70.4	175.5	-43.5	0	0	111.5	F729 E730 L734 N735	F729-Q732 WeakPolarHBondContact O-CB 3.34Å; F729-Q732 PolarHBondContact O-N 3.19Å; E730-Q732 VanDerWaalsContact C-N 3.34Å; Q732-L734 PolarHBondContact O-N 2.88Å; Q732-N735 PolarHBondContact O-N 3.33Å; Q732-N735 VanDerWaalsContact O-N 3.07Å
733	A	35.1	Very low	38.7	Very low	62 Å²	62	110.6 Å²	110.6	51%	0.512	57%	0.573	S	S	.	*	H	α-helix	trans	-62.3	-25.5	178.7	0	0	0	0	0	113.7	F729 E730 N735	F729-A733 PolarHBondContact O-N 3.48Å; F729-A733 VanDerWaalsContact O-N 3.1Å; E730-A733 PolarHBondContact O-N 3.38Å; A733-N735 PolarHBondContact O-N 2.94Å
734	L	38	Very low	40.8	Very low	150 Å²	150	108 Å²	108	79%	0.785	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-1.7	175.4	-76.8	169.1	0	0	0	114.6	E730 Q732	E730-L734 PolarHBondContact O-N 3Å; Q732-L734 PolarHBondContact O-N 2.88Å
735	N	40.7	Very low	43.1	Very low	52 Å²	52	106.9 Å²	106.9	28%	0.278	55%	0.547	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-6.9	176.7	-81.8	-18	0	0	0	114.7	Q732 A733 G737 R742	Q732-N735 PolarHBondContact O-N 3.33Å; Q732-N735 VanDerWaalsContact O-N 3.07Å; A733-N735 PolarHBondContact O-N 2.94Å; N735-G737 PolarHBondContact O-N 3.26Å; N735-R742 PolarHBondContact OD1-NH1 2.83Å; N735-R742 PolarHBondContact OD1-NH2 3.25Å
736	E	33.8	Very low	45.4	Very low	182 Å²	182	100.4 Å²	100.4	85%	0.85	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	42.4	-177.9	-59.3	-170.2	148.5	0	0	114.2
737	G	32.2	Very low	47.8	Very low	61 Å²	61	92.3 Å²	92.3	63%	0.629	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-169.1	9.4	-174.3	0	0	0	0	0	118.6	N735	N735-G737 PolarHBondContact O-N 3.26Å
738	T	37.2	Very low	50.2	Low	76 Å²	76	86.4 Å²	86.4	47%	0.466	47%	0.465	S	S	.	.			trans	-141.4	68.9	172.2	68.6	0	0	0	0	112.4	R742	T738-R742 VanDerWaalsContact OG1-CZ 3.29Å; T738-R742 PolarHBondContact OG1-NE 3.36Å; T738-R742 PolarHBondContact OG1-NH2 2.88Å
739	D	37	Very low	52.4	Low	141 Å²	141	84 Å²	84	75%	0.754	45%	0.452	S	S	*	.			trans	-65.2	171.5	165.4	-63.7	-59.2	0	0	0	111.7	I741	D739-I741 PolarHBondContact O-N 3.03Å
740	D	39.9	Very low	54.2	Low	163 Å²	163	78.1 Å²	78.1	87%	0.872	43%	0.428	S	S	*	.	S	Bend	trans	65.9	-16.1	170.9	-62.7	-21.5	0	0	0	121.1
741	I	38.7	Very low	55.6	Low	145 Å²	145	79.9 Å²	79.9	74%	0.744	45%	0.447	S	S	*	.	S	Bend	trans	-133.8	44.7	-176.2	-33.2	176.4	0	0	0	116.4	D739	D739-I741 PolarHBondContact O-N 3.03Å
742	R	53.9	Low	56.8	Low	90 Å²	90	81.2 Å²	81.2	34%	0.34	45%	0.448	S	S	.	.	S	Bend	trans	-117.7	-29.6	172	-65.9	-164.7	-174.2	-178.1	9.1	116.8	N735 T738 C744	N735-R742 PolarHBondContact OD1-NH1 2.83Å; N735-R742 PolarHBondContact OD1-NH2 3.25Å; T738-R742 VanDerWaalsContact OG1-CZ 3.29Å; T738-R742 PolarHBondContact OG1-NE 3.36Å; T738-R742 PolarHBondContact OG1-NH2 2.88Å; R742-C744 PolarHBondContact O-N 3.39Å
743	S	67.6	Low	57.4	Low	59 Å²	59	84.5 Å²	84.5	41%	0.413	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-36.4	-165.8	59	0	0	0	0	116	F747	S743-F747 WeakPolarHBondContact O-CD2 3.09Å
744	C	80.6	Confident	58	Low	14 Å²	14	87.4 Å²	87.4	10%	0.095	47%	0.47	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-37.9	-176.7	58.5	0	0	0	0	113.7	R742 L746 F747 H748 V767	R742-C744 PolarHBondContact O-N 3.39Å; C744-L746 PolarHBondContact O-N 3.21Å; C744-F747 PolarHBondContact O-N 2.87Å; C744-H748 PolarHBondContact O-CD2 3Å; C744-H748 PolarHBondContact O-N 3.15Å; C744-H748 PolarHBondContact O-NE2 2.94Å; C744-V767 HydrophobicContact CB-CB 3.94Å; C744-V767 HydrophobicContact CB-CG1 4.03Å; C744-V767 HydrophobicContact CB-CG2 4.5Å
745	K	81.7	Confident	58.2	Low	112 Å²	112	84.5 Å²	84.5	49%	0.487	47%	0.468	S	S	.	.	G	3₁₀ helix	trans	-56.7	-38.5	-175.6	-174	-175.9	175.1	-170.2	0	112.5	H625 F747 H748	H625-K745 PolarHBondContact ND1-O 3.44Å; H625-K745 VanDerWaalsContact ND1-O 3.13Å; K745-F747 PolarHBondContact O-N 3.15Å; K745-H748 PolarHBondContact O-N 2.83Å; K745-H748 VanDerWaalsContact O-N 3.09Å
746	L	83.2	Confident	58.1	Low	9 Å²	9	89.1 Å²	89.1	5%	0.047	49%	0.492	C	S	.	.	G	3₁₀ helix	trans	-52.1	-23.1	176.7	-68.9	171.4	0	0	0	114.2	L623 H625 L626 C744	L623-L746 HydrophobicContact CB-CD2 4.4Å; L623-L746 HydrophobicContact CD2-CD2 4.08Å; L623-L746 HydrophobicContact CG-CD2 3.9Å; L623-L746 WeakPolarHBondContact O-CD2 2.88Å; H625-L746 CarbonylContact C-O 3.58Å; H625-L746 WeakPolarHBondContact CA-O 3.34Å; L626-L746 PolarHBondContact N-O 2.99Å; C744-L746 PolarHBondContact O-N 3.21Å
747	F	86.1	Confident	58.5	Low	0 Å²	0	84.6 Å²	84.6	0%	0	47%	0.471	C	S	.	.	G	3₁₀ helix	trans	-116	-1.5	-176.3	-58.9	-73.2	0	0	0	114	L626 S743 C744 K745 V773 P774 I777 L787 F844 L868 S870 L871	L626-F747 HydrophobicContact CD1-CE1 4.21Å; S743-F747 WeakPolarHBondContact O-CD2 3.09Å; C744-F747 PolarHBondContact O-N 2.87Å; K745-F747 PolarHBondContact O-N 3.15Å; F747-V773 WeakPolarHBondContact O-CG1 3.35Å; F747-P774 WeakPolarHBondContact O-CD 3.2Å; F747-I777 HydrophobicContact CD1-CD1 3.9Å; F747-I777 HydrophobicContact CD1-CG2 4.49Å; F747-I777 HydrophobicContact CE1-CD1 4.2Å; F747-I777 HydrophobicContact CE1-CG2 4.43Å; F747-L787 HydrophobicContact CE2-CD1 3.82Å; F747-L787 HydrophobicContact CZ-CD1 3.6Å; F747-F844 HydrophobicContact CE1-CZ 4.27Å; F747-F844 HydrophobicContact CZ-CZ 4.4Å; F747-L868 HydrophobicContact CD1-CD1 3.96Å; F747-L868 HydrophobicContact CD2-CD1 4.43Å; F747-L868 HydrophobicContact CE1-CD1 3.46Å; F747-L868 VanDerWaalsContact CE1-CD1 3.46Å; F747-L868 HydrophobicContact CE2-CD1 3.98Å; F747-L868 HydrophobicContact CG-CD1 4.41Å; F747-L868 HydrophobicContact CZ-CD1 3.47Å; F747-L868 VanDerWaalsContact CZ-CD1 3.47Å; F747-L868 HydrophobicContact CZ-CD2 4.32Å; F747-S870 VanDerWaalsContact CD2-OG 3.3Å; F747-S870 WeakPolarHBondContact CD2-OG 3.5Å; F747-L871 HydrophobicContact CB-CD2 3.79Å; F747-L871 HydrophobicContact CG-CD2 4.32Å
748	H	87.3	Confident	58.9	Low	18 Å²	18	87.5 Å²	87.5	8%	0.083	48%	0.481	C	S	.	.	S	Bend	trans	-66.8	140.1	171.4	-62.6	177	0	0	0	109.3	H625 C744 K745 C765 C768 E771 M772	H625-H748 PolarHBondContact ND1-O 3.44Å; C744-H748 PolarHBondContact O-CD2 3Å; C744-H748 PolarHBondContact O-N 3.15Å; C744-H748 PolarHBondContact O-NE2 2.94Å; K745-H748 PolarHBondContact O-N 2.83Å; K745-H748 VanDerWaalsContact O-N 3.09Å; H748-C765 PolarHBondContact NE2-SG 3.11Å; H748-C768 VanDerWaalsContact CE1-SG 3.59Å; H748-E771 HydrophobicContact CB-CB 4.21Å; H748-E771 WeakPolarHBondContact ND1-CB 3.47Å; H748-E771 WeakPolarHBondContact ND1-CG 3.45Å; H748-M772 WeakPolarHBondContact CA-O 3.27Å
749	L	82.9	Confident	59.4	Low	48 Å²	48	87.8 Å²	87.8	25%	0.251	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-66.4	140.7	176.1	-65.4	174.7	0	0	0	110.4	V627 M772	V627-L749 HydrophobicContact CG1-CD2 4.44Å; L749-M772 HydrophobicContact CD1-CB 4.11Å; L749-M772 PolarHBondContact N-O 2.76Å
750	P	74	Confident	60.2	Low	20 Å²	20	85.9 Å²	85.9	13%	0.13	48%	0.477	C	S	.	.	P	Polyproline II helix	trans	-58.8	143.6	174.8	-23.8	33.8	0	0	0	111.5	V627 N666 V694 N752	V627-P750 HydrophobicContact CG2-CG 3.78Å; N666-P750 HydrophobicContact CB-CB 4.09Å; V694-P750 HydrophobicContact CG2-CB 4.44Å; V694-P750 HydrophobicContact CG2-CG 3.86Å; P750-N752 PolarHBondContact O-N 3.03Å
751	P	66.2	Low	61.6	Low	115 Å²	115	83.7 Å²	83.7	75%	0.747	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-59	136.4	174.7	25.9	-34	0	0	0	110	N666	N666-P751 PolarHBondContact ND2-O 3.47Å
752	N	61.9	Low	63.4	Low	67 Å²	67	78.9 Å²	78.9	36%	0.358	44%	0.444	S	S	.	.			trans	-123.4	112.6	-176.6	-171.5	8.5	0	0	0	111.6	N666 P750 N754	N666-N752 WeakPolarHBondContact ND2-CA 3.45Å; N666-N752 WeakPolarHBondContact ND2-CB 3.47Å; N666-N752 VanDerWaalsContact ND2-CG 3.34Å; N666-N752 PolarHBondContact ND2-OD1 3.33Å; N666-N752 VanDerWaalsContact ND2-OD1 3.11Å; P750-N752 PolarHBondContact O-N 3.03Å; N752-N754 VanDerWaalsContact C-N 3.32Å; N752-N754 VanDerWaalsContact CG-O 3.28Å; N752-N754 PolarHBondContact ND2-O 2.91Å; N752-N754 PolarHBondContact OD1-N 3.34Å; N752-N754 PolarHBondContact OD1-O 3.39Å; N752-N754 VanDerWaalsContact OD1-O 3.11Å
753	E	48.5	Very low	64.8	Low	191 Å²	191	75.3 Å²	75.3	89%	0.893	44%	0.436	S	S	*	.	S	Bend	trans	-74.3	-22.3	178.3	-59.1	-176	157.3	0	0	112.5
754	N	46.4	Very low	65.7	Low	122 Å²	122	76.3 Å²	76.3	65%	0.652	44%	0.439	S	S	*	.	S	Bend	trans	-114.5	98.5	-179.8	-72.2	-49.5	0	0	0	110.7	N752 L756	N752-N754 VanDerWaalsContact C-N 3.32Å; N752-N754 VanDerWaalsContact CG-O 3.28Å; N752-N754 PolarHBondContact ND2-O 2.91Å; N752-N754 PolarHBondContact OD1-N 3.34Å; N752-N754 PolarHBondContact OD1-O 3.39Å; N752-N754 VanDerWaalsContact OD1-O 3.11Å; N754-L756 PolarHBondContact O-N 3.03Å
755	A	42.6	Very low	66	Low	89 Å²	89	75.6 Å²	75.6	74%	0.736	43%	0.434	S	S	*	.			trans	-71.7	46.7	-172.5	0	0	0	0	0	115.6
756	L	39.1	Very low	66.1	Low	149 Å²	149	73.7 Å²	73.7	78%	0.78	43%	0.434	S	S	*	.			trans	-87.2	-14.7	177.2	-107.5	73.8	0	0	0	114.4	N754	N754-L756 PolarHBondContact O-N 3.03Å
757	H	41.9	Very low	66.2	Low	88 Å²	88	77 Å²	77	41%	0.407	45%	0.454	S	S	.	.			trans	-106	55.9	-174.2	-66.4	-54.7	0	0	0	113.6	A664 A759	A664-H757 PolarHBondContact O-CD2 3.12Å; A664-H757 VanDerWaalsContact O-CD2 3.31Å; A664-H757 PolarHBondContact O-NE2 3Å; H757-A759 PolarHBondContact O-N 2.87Å
758	S	41.1	Very low	66.2	Low	121 Å²	121	78.7 Å²	78.7	85%	0.846	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	12.2	164.8	-44.8	0	0	0	0	113.9
759	A	46.4	Very low	66.1	Low	83 Å²	83	82.2 Å²	82.2	69%	0.686	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-5.6	-166.7	0	0	0	0	0	114.4	H757	H757-A759 PolarHBondContact O-N 2.87Å
760	F	55.4	Low	66.1	Low	101 Å²	101	88.4 Å²	88.4	44%	0.443	52%	0.517	S	S	.	.	S	Bend	trans	-88.1	118.5	173.8	-77.2	-78.5	0	0	0	110.8	L665 S762	L665-F760 HydrophobicContact CD2-CE1 4.28Å; L665-F760 HydrophobicContact CD2-CE2 3.75Å; L665-F760 HydrophobicContact CD2-CZ 3.4Å; F760-S762 WeakPolarHBondContact O-CB 3.37Å; F760-S762 PolarHBondContact O-N 3.05Å; F760-S762 PolarHBondContact O-OG 2.98Å
761	N	67.7	Low	66.6	Low	116 Å²	116	92.5 Å²	92.5	62%	0.62	54%	0.535	S	S	*	.			trans	-52.2	106.1	160.8	-95	48.5	0	0	0	108.5	E775	N761-E775 HydrophobicContact CB-CB 4.31Å; N761-E775 HydrophobicContact CB-CG 4.16Å; N761-E775 WeakPolarHBondContact CB-OE2 3.4Å; N761-E775 PolarHBondContact ND2-OE2 2.87Å; N761-E775 PolarHBondContact O-N 2.89Å
762	S	77.9	Confident	67.5	Low	44 Å²	44	90.8 Å²	90.8	31%	0.308	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	144.2	-168.8	52.1	0	0	0	0	110	F760 V773	F760-S762 WeakPolarHBondContact O-CB 3.37Å; F760-S762 PolarHBondContact O-N 3.05Å; F760-S762 PolarHBondContact O-OG 2.98Å; S762-V773 CarbonylContact C-O 3.58Å; S762-V773 WeakPolarHBondContact CA-O 3.49Å; S762-V773 VanDerWaalsContact CB-O 3.24Å; S762-V773 WeakPolarHBondContact CB-O 3.32Å
763	G	82.5	Confident	68.7	Low	16 Å²	16	87.6 Å²	87.6	17%	0.165	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	179.1	-179.6	0	0	0	0	0	111.4	M772 V773	G763-M772 WeakPolarHBondContact O-CA 3.33Å; G763-V773 PolarHBondContact N-O 2.76Å; G763-V773 WeakPolarHBondContact O-CG2 3.33Å; G763-V773 PolarHBondContact O-N 2.69Å
764	V	85.9	Confident	70.5	Confident	79 Å²	79	78.9 Å²	78.9	48%	0.479	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	133.7	175.3	-170.6	0	0	0	0	109.3	C766 S769 M772	V764-C766 PolarHBondContact O-N 3.4Å; V764-S769 VanDerWaalsContact CG1-C 3.44Å; V764-M772 HydrophobicContact CG2-SD 4.3Å
765	C	88.2	Confident	72.4	Confident	0 Å²	0	76.5 Å²	76.5	0%	0	45%	0.446	C	S	.	.			trans	-51.2	119.6	177.8	179.1	0	0	0	0	111.8	H748 V767 C768 S769 E771 V773	H748-C765 PolarHBondContact NE2-SG 3.11Å; C765-V767 PolarHBondContact O-N 3.18Å; C765-V767 VanDerWaalsContact O-N 3.14Å; C765-C768 WeakPolarHBondContact CB-SG 3.14Å; C765-C768 PolarHBondContact O-N 2.86Å; C765-C768 PolarHBondContact SG-N 2.79Å; C765-S769 WeakPolarHBondContact O-CA 3.19Å; C765-S769 PolarHBondContact O-N 3.11Å; C765-E771 VanDerWaalsContact CB-O 3.3Å; C765-E771 WeakPolarHBondContact CB-O 3.37Å; C765-E771 PolarHBondContact N-O 3.18Å; C765-V773 HydrophobicContact CB-CG1 3.65Å; C765-V773 HydrophobicContact CB-CG2 4.45Å
766	C	84.3	Confident	74.6	Confident	72 Å²	72	73.8 Å²	73.8	49%	0.486	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-13.9	-176.3	-68.6	0	0	0	0	113.8	V764 S870	V764-C766 PolarHBondContact O-N 3.4Å; C766-S870 PolarHBondContact N-O 3.02Å; C766-S870 VanDerWaalsContact N-O 3.15Å
767	V	84.7	Confident	77	Confident	78 Å²	78	66.7 Å²	66.7	47%	0.473	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-53.3	173.9	174.1	0	0	0	0	111.9	C744 C765	C744-V767 HydrophobicContact CB-CB 3.94Å; C744-V767 HydrophobicContact CB-CG1 4.03Å; C744-V767 HydrophobicContact CB-CG2 4.5Å; C765-V767 PolarHBondContact O-N 3.18Å; C765-V767 VanDerWaalsContact O-N 3.14Å
768	C	86	Confident	79.5	Confident	36 Å²	36	63.3 Å²	63.3	24%	0.243	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-16.5	-171.9	82.5	0	0	0	0	114.3	H748 C765 K770 E771	H748-C768 VanDerWaalsContact CE1-SG 3.59Å; C765-C768 WeakPolarHBondContact CB-SG 3.14Å; C765-C768 PolarHBondContact O-N 2.86Å; C765-C768 PolarHBondContact SG-N 2.79Å; C768-K770 WeakPolarHBondContact O-CG 3.32Å; C768-K770 PolarHBondContact O-N 3.18Å; C768-K770 VanDerWaalsContact O-N 3.15Å; C768-E771 PolarHBondContact SG-N 3.11Å; C768-E771 VanDerWaalsContact SG-N 3.42Å
769	S	84.5	Confident	82	Confident	92 Å²	92	57.5 Å²	57.5	64%	0.643	33%	0.326	S	S	*	.	S	Bend	trans	52.3	28.6	-178.7	-60.4	0	0	0	0	115.1	V764 C765	V764-S769 VanDerWaalsContact CG1-C 3.44Å; C765-S769 WeakPolarHBondContact O-CA 3.19Å; C765-S769 PolarHBondContact O-N 3.11Å
770	K	83.6	Confident	84.1	Confident	177 Å²	177	54 Å²	54	77%	0.77	30%	0.296	S	S	*	.	S	Bend	trans	-135.4	-53	-175	-70.8	171.4	-174	177.8	0	113.3	C768	C768-K770 WeakPolarHBondContact O-CG 3.32Å; C768-K770 PolarHBondContact O-N 3.18Å; C768-K770 VanDerWaalsContact O-N 3.15Å
771	E	83.2	Confident	85.8	Confident	107 Å²	107	49.3 Å²	49.3	50%	0.5	28%	0.276	S	S	.	.	S	Bend	trans	-88.8	154	-175.2	-61.3	-65.1	171.8	0	0	111.8	H748 C765 C768	H748-E771 HydrophobicContact CB-CB 4.21Å; H748-E771 WeakPolarHBondContact ND1-CB 3.47Å; H748-E771 WeakPolarHBondContact ND1-CG 3.45Å; C765-E771 VanDerWaalsContact CB-O 3.3Å; C765-E771 WeakPolarHBondContact CB-O 3.37Å; C765-E771 PolarHBondContact N-O 3.18Å; C768-E771 PolarHBondContact SG-N 3.11Å; C768-E771 VanDerWaalsContact SG-N 3.42Å
772	M	86.3	Confident	86.7	Confident	78 Å²	78	47.1 Å²	47.1	38%	0.384	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	141.9	176.9	-66.4	-62.8	-65.4	0	0	111.7	H748 L749 G763 V764	H748-M772 WeakPolarHBondContact CA-O 3.27Å; L749-M772 HydrophobicContact CD1-CB 4.11Å; L749-M772 PolarHBondContact N-O 2.76Å; G763-M772 WeakPolarHBondContact O-CA 3.33Å; V764-M772 HydrophobicContact CG2-SD 4.3Å
773	V	87.5	Confident	86.9	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	154.3	176.8	-64.8	0	0	0	0	109.5	F747 S762 G763 C765 L871 V872	F747-V773 WeakPolarHBondContact O-CG1 3.35Å; S762-V773 CarbonylContact C-O 3.58Å; S762-V773 WeakPolarHBondContact CA-O 3.49Å; S762-V773 VanDerWaalsContact CB-O 3.24Å; S762-V773 WeakPolarHBondContact CB-O 3.32Å; G763-V773 PolarHBondContact N-O 2.76Å; G763-V773 WeakPolarHBondContact O-CG2 3.33Å; G763-V773 PolarHBondContact O-N 2.69Å; C765-V773 HydrophobicContact CB-CG1 3.65Å; C765-V773 HydrophobicContact CB-CG2 4.45Å; V773-L871 HydrophobicContact CB-CD2 3.84Å; V773-L871 HydrophobicContact CG1-CD2 4.42Å; V773-L871 HydrophobicContact CG2-CD2 4.31Å; V773-V872 HydrophobicContact CG2-CG2 4.37Å
774	P	86.5	Confident	86.6	Confident	8 Å²	8	46.2 Å²	46.2	5%	0.052	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	151.9	169.7	28.8	-34.5	0	0	0	111.2	F747 M776 I777 L871	F747-P774 WeakPolarHBondContact O-CD 3.2Å; P774-M776 VanDerWaalsContact C-N 3.29Å; P774-I777 HydrophobicContact CG-CB 4.33Å; P774-L871 HydrophobicContact CG-CD2 4Å
775	E	86	Confident	85.7	Confident	73 Å²	73	47.7 Å²	47.7	34%	0.341	26%	0.259	S	S	.	.	S	Bend	trans	-65.6	-35	171.3	-78.1	-174.2	170.2	0	0	112.2	N761 V872	N761-E775 HydrophobicContact CB-CB 4.31Å; N761-E775 HydrophobicContact CB-CG 4.16Å; N761-E775 WeakPolarHBondContact CB-OE2 3.4Å; N761-E775 PolarHBondContact ND2-OE2 2.87Å; N761-E775 PolarHBondContact O-N 2.89Å; E775-V872 HydrophobicContact CG-CB 4.42Å; E775-V872 HydrophobicContact CG-CG2 4.16Å
776	M	88.5	Confident	84.6	Confident	31 Å²	31	51.2 Å²	51.2	15%	0.153	28%	0.275	C	S	.	.	S	Bend	trans	-143.6	136.9	173.9	177.6	171.4	-66.7	0	0	110.1	P774 V778 M832 T835 Q836 N841	P774-M776 VanDerWaalsContact C-N 3.29Å; M776-V778 HydrophobicContact CG-CG2 4.41Å; M776-M832 HydrophobicContact SD-CB 3.92Å; M776-M832 HydrophobicContact SD-CG 3.7Å; M776-T835 HydrophobicContact CE-CG2 3.41Å; M776-T835 VanDerWaalsContact CE-CG2 3.41Å; M776-T835 HydrophobicContact SD-CG2 3.96Å; M776-Q836 HydrophobicContact CE-CG 3.64Å; M776-N841 VanDerWaalsContact CA-O 3.26Å; M776-N841 WeakPolarHBondContact CA-O 3.48Å; M776-N841 WeakPolarHBondContact CG-O 3.42Å
777	I	90.3	Very high	83.7	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	141.9	171.1	-160.3	169.7	0	0	0	111.1	L626 F747 P774 N841 A842 V843 L868 L871	L626-I777 HydrophobicContact CB-CD1 3.82Å; F747-I777 HydrophobicContact CD1-CD1 3.9Å; F747-I777 HydrophobicContact CD1-CG2 4.49Å; F747-I777 HydrophobicContact CE1-CD1 4.2Å; F747-I777 HydrophobicContact CE1-CG2 4.43Å; P774-I777 HydrophobicContact CG-CB 4.33Å; I777-N841 PolarHBondContact N-O 2.81Å; I777-A842 HydrophobicContact CG2-CB 3.57Å; I777-A842 CarbonylContact O-C 3.58Å; I777-A842 VanDerWaalsContact O-CA 3.26Å; I777-A842 WeakPolarHBondContact O-CA 3.36Å; I777-V843 PolarHBondContact O-N 3.28Å; I777-L868 HydrophobicContact CG2-CD1 4.06Å; I777-L871 HydrophobicContact CB-CD1 4.06Å; I777-L871 HydrophobicContact CG2-CD1 3.69Å
778	V	93.1	Very high	82.5	Confident	16 Å²	16	47.2 Å²	47.2	10%	0.097	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	129.6	175	179.8	0	0	0	0	107.9	G628 A629 M776 L831 V843 L846	G628-V778 CarbonylContact C-O 3.5Å; G628-V778 WeakPolarHBondContact CA-O 3.34Å; A629-V778 HydrophobicContact CB-CG1 4.37Å; A629-V778 WeakPolarHBondContact CB-O 3.2Å; A629-V778 PolarHBondContact N-O 3.48Å; M776-V778 HydrophobicContact CG-CG2 4.41Å; V778-L831 HydrophobicContact CG1-CD2 4.43Å; V778-V843 CarbonylContact C-O 3.59Å; V778-V843 WeakPolarHBondContact CA-O 3.47Å; V778-V843 HydrophobicContact CG1-CB 4.37Å; V778-V843 HydrophobicContact CG2-CB 4.39Å; V778-L846 HydrophobicContact CG1-CB 4.45Å; V778-L846 HydrophobicContact CG1-CD1 4Å; V778-L846 HydrophobicContact CG1-CD2 3.74Å; V778-L846 HydrophobicContact CG1-CG 4.27Å
779	C	93.1	Very high	80.8	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.276	C	S	.	.			trans	-135.3	138.6	-170.4	-70.3	0	0	0	0	111.5	T691 I781 V843 F844 G845 L846	T691-C779 HydrophobicContact CG2-CB 4.14Å; C779-I781 HydrophobicContact CB-CG1 3.93Å; C779-V843 PolarHBondContact N-O 2.98Å; C779-F844 HydrophobicContact CB-CD1 3.65Å; C779-F844 HydrophobicContact CB-CE1 4.01Å; C779-F844 HydrophobicContact CB-CG 4.38Å; C779-F844 CarbonylContact O-C 3.59Å; C779-G845 PolarHBondContact O-N 3.41Å; C779-L846 WeakPolarHBondContact O-CB 3.41Å; C779-L846 PolarHBondContact O-N 3.44Å
780	T	92	Very high	79.5	Confident	10 Å²	10	51 Å²	51	6%	0.061	28%	0.275	C	S	.	.	S	Bend	trans	-78.4	-24.7	170.4	62.5	0	0	0	0	113.2	A629 V671 G672 A689 G690 T691 L846	A629-T780 HydrophobicContact CB-CG2 4.35Å; V671-T780 PolarHBondContact O-OG1 3.2Å; G672-T780 PolarHBondContact O-OG1 3.22Å; A689-T780 HydrophobicContact CB-CG2 4.36Å; G690-T780 WeakPolarHBondContact CA-OG1 3.38Å; G690-T780 WeakPolarHBondContact O-CG2 3.3Å; T691-T780 PolarHBondContact N-OG1 3.36Å; T691-T780 PolarHBondContact OG1-N 3.41Å; T691-T780 PolarHBondContact OG1-OG1 3.19Å; T780-L846 HydrophobicContact CG2-CB 4.49Å
781	I	90.2	Very high	78.6	Confident	1 Å²	1	44 Å²	44	1%	0.005	25%	0.245	C	C	.	.	S	Bend	trans	-74.2	159.5	176.3	60.4	167.3	0	0	0	112.2	I616 I618 L626 V671 T691 C779 G845	I616-I781 WeakPolarHBondContact O-CB 3.35Å; I618-I781 HydrophobicContact CD1-CD1 3.74Å; I618-I781 HydrophobicContact CG1-CD1 4.43Å; L626-I781 HydrophobicContact CD1-CD1 4.01Å; L626-I781 HydrophobicContact CD2-CD1 3.59Å; L626-I781 HydrophobicContact CG-CD1 4.48Å; V671-I781 HydrophobicContact CB-CG2 4.19Å; V671-I781 HydrophobicContact CG1-CG2 4.11Å; T691-I781 HydrophobicContact CG2-CG1 4.39Å; T691-I781 PolarHBondContact OG1-N 3.41Å; C779-I781 HydrophobicContact CB-CG1 3.93Å; I781-G845 PolarHBondContact O-N 2.94Å
782	D	86.8	Confident	78.4	Confident	70 Å²	70	44 Å²	44	37%	0.374	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-68.3	155.5	168.7	-66.7	-40.3	0	0	0	110.5	I616	I616-D782 WeakPolarHBondContact CD1-OD2 3.22Å; I616-D782 PolarHBondContact O-N 3.15Å
783	P	81.7	Confident	78.4	Confident	34 Å²	34	42.8 Å²	42.8	22%	0.221	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-63.8	131.2	178.8	26.1	-33.2	0	0	0	110.7	S788 L791 F844	P783-S788 PolarHBondContact O-OG 3.47Å; P783-L791 HydrophobicContact CB-CD1 3.76Å; P783-L791 HydrophobicContact CG-CD1 4.29Å; P783-F844 HydrophobicContact CB-CB 4.31Å; P783-F844 HydrophobicContact CB-CD1 4.07Å; P783-F844 HydrophobicContact CB-CD2 4.01Å; P783-F844 HydrophobicContact CB-CE1 4.38Å; P783-F844 HydrophobicContact CB-CE2 4.32Å; P783-F844 HydrophobicContact CB-CG 3.87Å; P783-F844 HydrophobicContact CG-CB 4.44Å
784	P	77.2	Confident	78.5	Confident	7 Å²	7	45 Å²	45	5%	0.045	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-48.5	142.1	179.9	-31.2	34.7	0	0	0	114	L623 L626 E786 L787 S788	L623-P784 HydrophobicContact CD2-CG 4.11Å; L626-P784 HydrophobicContact CD1-CG 4.09Å; P784-E786 PolarHBondContact O-N 3.1Å; P784-L787 HydrophobicContact CB-CD1 4.36Å; P784-L787 HydrophobicContact CG-CD1 4.36Å; P784-L787 WeakPolarHBondContact O-CB 3.47Å; P784-L787 PolarHBondContact O-N 3.49Å; P784-S788 PolarHBondContact O-N 3.13Å; P784-S788 PolarHBondContact O-OG 3.09Å; P784-S788 VanDerWaalsContact O-OG 3.12Å
785	L	66.9	Low	78.8	Confident	110 Å²	110	49.9 Å²	49.9	58%	0.576	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-30.4	-174.8	-77.5	151.5	0	0	0	114.1	L787 S788	L785-L787 PolarHBondContact O-N 3.08Å; L785-S788 WeakPolarHBondContact CA-OG 3.36Å
786	E	65	Low	79.2	Confident	74 Å²	74	46.4 Å²	46.4	35%	0.346	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-22.3	177	-62.2	170.4	129.7	0	0	113.2	P620 P784	P620-E786 HydrophobicContact CB-CG 3.86Å; P620-E786 WeakPolarHBondContact CB-OE1 3.44Å; P620-E786 WeakPolarHBondContact CB-OE2 3.18Å; P620-E786 HydrophobicContact CG-CG 4.3Å; P784-E786 PolarHBondContact O-N 3.1Å
787	L	65.5	Low	79.5	Confident	13 Å²	13	49 Å²	49	7%	0.068	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102	-34.2	-178.4	-61	165.2	0	0	0	111.6	F747 P784 L785 P789 S790 L791 L868	F747-L787 HydrophobicContact CE2-CD1 3.82Å; F747-L787 HydrophobicContact CZ-CD1 3.6Å; P784-L787 HydrophobicContact CB-CD1 4.36Å; P784-L787 HydrophobicContact CG-CD1 4.36Å; P784-L787 WeakPolarHBondContact O-CB 3.47Å; P784-L787 PolarHBondContact O-N 3.49Å; L785-L787 PolarHBondContact O-N 3.08Å; L787-P789 WeakPolarHBondContact O-CD 3.32Å; L787-P789 VanDerWaalsContact O-N 3.07Å; L787-S790 PolarHBondContact O-N 3.27Å; L787-S790 PolarHBondContact O-OG 3.38Å; L787-L791 HydrophobicContact CB-CD1 3.99Å; L787-L791 HydrophobicContact CB-CG 4.39Å; L787-L791 WeakPolarHBondContact O-CG 3.26Å; L787-L868 HydrophobicContact CD1-CD2 4.15Å; L787-L868 HydrophobicContact CD2-CD2 4.48Å
788	S	58.8	Low	79.7	Confident	54 Å²	54	48.9 Å²	48.9	38%	0.378	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-42.1	-43.5	-173.7	-44.1	0	0	0	0	116.4	P783 P784 L785 S790	P783-S788 PolarHBondContact O-OG 3.47Å; P784-S788 PolarHBondContact O-N 3.13Å; P784-S788 PolarHBondContact O-OG 3.09Å; P784-S788 VanDerWaalsContact O-OG 3.12Å; L785-S788 WeakPolarHBondContact CA-OG 3.36Å; S788-S790 PolarHBondContact O-N 3.18Å
789	P	49.9	Very low	79.7	Confident	118 Å²	118	56.1 Å²	56.1	77%	0.766	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-73.5	-2.7	-177.9	29.9	-36.9	0	0	0	115.2	L787	L787-P789 WeakPolarHBondContact O-CD 3.32Å; L787-P789 VanDerWaalsContact O-N 3.07Å
790	S	57.4	Low	79.7	Confident	89 Å²	89	56.6 Å²	56.6	62%	0.622	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-118.8	-4.5	-172.6	67.8	0	0	0	0	115.4	L787 S788 D792	L787-S790 PolarHBondContact O-N 3.27Å; L787-S790 PolarHBondContact O-OG 3.38Å; S788-S790 PolarHBondContact O-N 3.18Å; S790-D792 PolarHBondContact O-N 3.42Å
791	L	64.7	Low	79.7	Confident	30 Å²	30	60.1 Å²	60.1	16%	0.157	33%	0.333	C	S	.	.			trans	-93.2	106.7	-167.8	-62.2	173	0	0	0	112.6	P783 L787 A793 V866 L868	P783-L791 HydrophobicContact CB-CD1 3.76Å; P783-L791 HydrophobicContact CG-CD1 4.29Å; L787-L791 HydrophobicContact CB-CD1 3.99Å; L787-L791 HydrophobicContact CB-CG 4.39Å; L787-L791 WeakPolarHBondContact O-CG 3.26Å; L791-A793 PolarHBondContact O-N 2.96Å; L791-A793 VanDerWaalsContact O-N 3.09Å; L791-V866 HydrophobicContact CB-CB 4.22Å; L791-V866 HydrophobicContact CB-CG1 4.08Å; L791-V866 HydrophobicContact CD1-CB 4.36Å; L791-V866 HydrophobicContact CD1-CG1 4.23Å; L791-V866 HydrophobicContact CD1-CG2 4.2Å; L791-V866 HydrophobicContact CD2-CB 4.12Å; L791-V866 HydrophobicContact CD2-CG2 4.13Å; L791-V866 HydrophobicContact CG-CB 4.45Å; L791-L868 HydrophobicContact CD2-CD2 3.89Å
792	D	78.7	Confident	79.7	Confident	106 Å²	106	63.4 Å²	63.4	57%	0.567	35%	0.346	S	S	*	.			trans	-65.9	100.7	163	171.9	19.9	0	0	0	109.5	S790 R840	S790-D792 PolarHBondContact O-N 3.42Å; D792-R840 VanDerWaalsContact CG-NH1 3.34Å; D792-R840 PolarHBondContact O-NE 2.98Å; D792-R840 PolarHBondContact O-NH1 3.35Å; D792-R840 PolarHBondContact O-NH2 3.16Å; D792-R840 IonicContact OD1-CZ 3.8Å; D792-R840 IonicContact OD1-NH2 2.93Å; D792-R840 PolarHBondContact OD1-NH2 3.26Å; D792-R840 IonicContact OD2-CZ 3.18Å; D792-R840 IonicContact OD2-NH1 2.73Å; D792-R840 PolarHBondContact OD2-NH1 3.38Å; D792-R840 IonicContact OD2-NH2 2.77Å; D792-R840 PolarHBondContact OD2-NH2 3.4Å
793	A	85.9	Confident	79.6	Confident	53 Å²	53	68 Å²	68	44%	0.438	36%	0.362	S	S	.	.			trans	-115.4	137.3	-160.6	0	0	0	0	0	113.1	L791 T864 A865 V866	L791-A793 PolarHBondContact O-N 2.96Å; L791-A793 VanDerWaalsContact O-N 3.09Å; A793-T864 HydrophobicContact CB-CG2 3.79Å; A793-A865 WeakPolarHBondContact CA-O 3.42Å; A793-V866 HydrophobicContact CB-CG1 3.82Å
794	V	90.4	Very high	79.5	Confident	47 Å²	47	67.2 Å²	67.2	29%	0.285	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	134.3	-175.6	-175.2	0	0	0	0	110.1	L838 A865	V794-L838 HydrophobicContact CG1-CD1 3.98Å; V794-A865 PolarHBondContact N-O 2.95Å; V794-A865 WeakPolarHBondContact O-CB 3.38Å; V794-A865 PolarHBondContact O-N 3Å
795	I	93.6	Very high	79.4	Confident	111 Å²	111	68.7 Å²	68.7	57%	0.569	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.8	132	174.7	-168.3	172.5	0	0	0	111.2	Q797	I795-Q797 HydrophobicContact CD1-CG 4.48Å; I795-Q797 HydrophobicContact CG1-CG 4.31Å
796	V	94	Very high	80	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	144.4	173.8	-74.8	0	0	0	0	110.4	L831 Q834 L838 V843 G863 A865	V796-L831 HydrophobicContact CB-CD1 4.02Å; V796-L831 HydrophobicContact CG2-CD1 3.71Å; V796-Q834 HydrophobicContact CG1-CG 4.16Å; V796-L838 HydrophobicContact CG1-CD1 3.59Å; V796-V843 HydrophobicContact CG2-CG1 3.94Å; V796-V843 HydrophobicContact CG2-CG2 4.22Å; V796-G863 WeakPolarHBondContact CG2-O 3.47Å; V796-G863 PolarHBondContact N-O 3.01Å; V796-G863 PolarHBondContact O-N 3.12Å; V796-G863 VanDerWaalsContact O-N 3.07Å; V796-A865 HydrophobicContact CB-CB 4.37Å; V796-A865 HydrophobicContact CG1-CB 3.59Å; V796-A865 HydrophobicContact CG2-CB 3.85Å
797	Q	94.3	Very high	80.7	Confident	84 Å²	84	69.9 Å²	69.9	39%	0.393	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	104.5	-174.8	-63.9	-164.9	-13.2	0	0	111.8	I795 Q834 L861 T862	I795-Q797 HydrophobicContact CD1-CG 4.48Å; I795-Q797 HydrophobicContact CG1-CG 4.31Å; Q797-Q834 VanDerWaalsContact N-OE1 3.16Å; Q797-L861 CarbonylContact C-O 3.54Å; Q797-L861 VanDerWaalsContact CA-O 3.32Å; Q797-L861 WeakPolarHBondContact CA-O 3.34Å; Q797-T862 HydrophobicContact CG-CG2 3.88Å
798	A	94.1	Very high	81.5	Confident	0 Å²	0	75 Å²	75	0%	0	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	139.2	168.8	0	0	0	0	0	109.9	L827 Q830 L831 L861	A798-L827 HydrophobicContact CB-CB 4.42Å; A798-L827 HydrophobicContact CB-CD2 3.95Å; A798-L827 WeakPolarHBondContact CB-O 3.3Å; A798-Q830 HydrophobicContact CB-CB 3.8Å; A798-L831 HydrophobicContact CB-CB 4.03Å; A798-L831 HydrophobicContact CB-CD1 4.35Å; A798-L861 HydrophobicContact CB-CB 4.29Å; A798-L861 PolarHBondContact N-O 3.4Å; A798-L861 PolarHBondContact O-N 3.38Å
799	R	94.5	Very high	82.6	Confident	167 Å²	167	72.7 Å²	72.7	63%	0.63	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.7	135.5	-179.6	66.5	-177	178.8	-80.7	-0.9	111.8	Q830 I859 L860	R799-Q830 VanDerWaalsContact N-OE1 3.1Å; R799-Q830 PolarHBondContact O-OE1 2.84Å; R799-I859 WeakPolarHBondContact CA-O 3.43Å; R799-L860 HydrophobicContact CB-CD1 3.97Å
800	I	92.5	Very high	84.4	Confident	10 Å²	10	72.5 Å²	72.5	5%	0.051	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	135.9	176.9	-71.6	-170.2	0	0	0	110.5	R802 A823 D826 L827 I858 I859	I800-R802 HydrophobicContact CG2-CG 3.81Å; I800-A823 HydrophobicContact CG2-CB 4.4Å; I800-D826 HydrophobicContact CD1-CB 3.2Å; I800-L827 HydrophobicContact CB-CD2 4.02Å; I800-L827 HydrophobicContact CB-CG 4.17Å; I800-L827 HydrophobicContact CD1-CD2 4.27Å; I800-L827 HydrophobicContact CD1-CG 3.82Å; I800-L827 HydrophobicContact CG1-CD2 3.77Å; I800-L827 HydrophobicContact CG1-CG 3.86Å; I800-I858 WeakPolarHBondContact O-CA 3.35Å; I800-I859 PolarHBondContact N-O 2.65Å; I800-I859 PolarHBondContact O-N 2.95Å
801	V	92	Very high	85.8	Confident	84 Å²	84	71.6 Å²	71.6	51%	0.509	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	121.3	170.2	-175.3	0	0	0	0	106.9	F856 L857 I858	V801-F856 HydrophobicContact CG1-CB 3.97Å; V801-F856 HydrophobicContact CG1-CD1 3.55Å; V801-F856 HydrophobicContact CG1-CE1 4.33Å; V801-F856 HydrophobicContact CG1-CG 3.94Å; V801-L857 WeakPolarHBondContact CA-O 3.34Å; V801-I858 HydrophobicContact CG1-CG1 4.38Å; V801-I858 HydrophobicContact CG2-CG1 4.25Å; V801-I858 HydrophobicContact CG2-CG2 4.47Å
802	R	89.6	Confident	86.9	Confident	71 Å²	71	70.4 Å²	70.4	27%	0.268	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	140.1	170.7	-61.4	-61.3	-156.2	-137.7	0.5	108.8	I800 K804 V819 F822 D826 F856 L857	I800-R802 HydrophobicContact CG2-CG 3.81Å; R802-K804 PolarHBondContact O-N 3.22Å; R802-V819 HydrophobicContact CB-CG1 4.08Å; R802-V819 HydrophobicContact CG-CG1 3.74Å; R802-F822 PolarHBondContact NH2-O 2.91Å; R802-D826 IonicContact CZ-OD2 3.58Å; R802-D826 IonicContact NH1-OD2 3.58Å; R802-D826 PolarHBondContact NH1-OD2 3.41Å; R802-D826 IonicContact NH2-OD2 3.62Å; R802-D826 PolarHBondContact NH2-OD2 3.45Å; R802-F856 WeakPolarHBondContact O-CA 3.19Å; R802-L857 PolarHBondContact N-O 3.48Å; R802-L857 PolarHBondContact O-N 2.75Å
803	K	84.6	Confident	87.4	Confident	165 Å²	165	65.9 Å²	65.9	72%	0.717	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.9	118.7	174.9	-169.2	177.5	-177.6	179.9	0	109.2	H815	K803-H815 PolarHBondContact O-NE2 2.83Å
804	K	80.5	Confident	87.5	Confident	19 Å²	19	71.3 Å²	71.3	8%	0.083	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-81.1	122.2	166.3	165.5	174.5	163	-176.5	0	106.4	R802 L812 I852 G853 N854 Q855	R802-K804 PolarHBondContact O-N 3.22Å; K804-L812 HydrophobicContact CD-CD1 3.81Å; K804-L812 HydrophobicContact CG-CD1 3.8Å; K804-I852 HydrophobicContact CD-CG2 4.16Å; K804-G853 VanDerWaalsContact CD-O 3.31Å; K804-G853 WeakPolarHBondContact CD-O 3.18Å; K804-G853 WeakPolarHBondContact CE-O 3.45Å; K804-G853 PolarHBondContact NZ-O 3.03Å; K804-N854 WeakPolarHBondContact CD-O 3.41Å; K804-N854 WeakPolarHBondContact CE-O 3.48Å; K804-Q855 PolarHBondContact N-O 2.69Å
805	A	75	Confident	87.4	Confident	38 Å²	38	72.5 Å²	72.5	31%	0.314	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-64.4	156	169.4	0	0	0	0	0	109.6	L807	A805-L807 HydrophobicContact CB-CD1 3.85Å; A805-L807 HydrophobicContact CB-CG 3.84Å; A805-L807 PolarHBondContact O-N 2.97Å
806	N	78.8	Confident	87.3	Confident	144 Å²	144	67.3 Å²	67.3	77%	0.77	34%	0.336	S	S	*	.	S	Bend	trans	-71.5	71.4	176.1	-75.1	3	0	0	0	110.2
807	L	80.1	Confident	87.1	Confident	64 Å²	64	70.5 Å²	70.5	34%	0.335	36%	0.358	S	S	.	.			trans	-125	147.3	-177.5	-61.8	177.3	0	0	0	109.1	A805 P811 L812 H815	A805-L807 HydrophobicContact CB-CD1 3.85Å; A805-L807 HydrophobicContact CB-CG 3.84Å; A805-L807 PolarHBondContact O-N 2.97Å; L807-P811 HydrophobicContact CB-CB 4.28Å; L807-P811 HydrophobicContact CD1-CB 4.1Å; L807-P811 HydrophobicContact CD2-CB 4.11Å; L807-P811 HydrophobicContact CG-CB 4.39Å; L807-L812 HydrophobicContact CB-CB 4.15Å; L807-H815 HydrophobicContact CD1-CB 4.39Å
808	T	81.2	Confident	86.9	Confident	120 Å²	120	69.8 Å²	69.8	74%	0.736	36%	0.363	S	S	*	.			trans	-135.1	151	179.4	49.1	0	0	0	0	109.5	P811	T808-P811 WeakPolarHBondContact O-CD 3.35Å
809	G	83.4	Confident	86.6	Confident	7 Å²	7	70.9 Å²	70.9	7%	0.072	37%	0.369	C	S	.	.	S	Bend	trans	65.5	-138.5	179.8	0	0	0	0	0	113.1	E682 T683 L812 A813	E682-G809 WeakPolarHBondContact OE2-CA 3.44Å; T683-G809 PolarHBondContact OG1-O 2.55Å; G809-L812 WeakPolarHBondContact O-CB 3.48Å; G809-L812 PolarHBondContact O-N 2.86Å; G809-A813 PolarHBondContact O-N 2.69Å; G809-A813 VanDerWaalsContact O-N 3.13Å
810	E	87	Confident	86.4	Confident	114 Å²	114	63.4 Å²	63.4	53%	0.533	34%	0.341	S	S	.	.	H	α-helix	trans	-59.7	-42.3	-169.4	-163.8	176.4	132.2	0	0	115	L637 R639 L812 A813 K814	L637-E810 HydrophobicContact CD2-CB 4.05Å; R639-E810 IonicContact CZ-OE2 3.34Å; R639-E810 IonicContact NH1-OE2 2.77Å; R639-E810 PolarHBondContact NH1-OE2 3.03Å; R639-E810 IonicContact NH2-OE2 3.81Å; R639-E810 PolarHBondContact NH2-OE2 3.38Å; E810-L812 VanDerWaalsContact C-N 3.27Å; E810-L812 PolarHBondContact O-N 2.7Å; E810-A813 PolarHBondContact O-N 3.28Å; E810-K814 PolarHBondContact O-N 3.35Å
811	P	87.7	Confident	86.2	Confident	70 Å²	70	66.2 Å²	66.2	46%	0.455	36%	0.361	S	S	.	.	H	α-helix	trans	-59.7	-32.8	172.1	-25.9	35.8	0	0	0	114.1	L807 T808 H815	L807-P811 HydrophobicContact CB-CB 4.28Å; L807-P811 HydrophobicContact CD1-CB 4.1Å; L807-P811 HydrophobicContact CD2-CB 4.11Å; L807-P811 HydrophobicContact CG-CB 4.39Å; T808-P811 WeakPolarHBondContact O-CD 3.35Å; P811-H815 WeakPolarHBondContact O-CB 3.29Å; P811-H815 PolarHBondContact O-N 2.87Å; P811-H815 VanDerWaalsContact O-N 3.09Å
812	L	86.4	Confident	86.1	Confident	4 Å²	4	68.9 Å²	68.9	2%	0.021	37%	0.366	C	S	.	.	H	α-helix	trans	-71	-44	176.3	178.7	62.2	0	0	0	111.1	K804 L807 G809 E810 K814 H815 I816	K804-L812 HydrophobicContact CD-CD1 3.81Å; K804-L812 HydrophobicContact CG-CD1 3.8Å; L807-L812 HydrophobicContact CB-CB 4.15Å; G809-L812 WeakPolarHBondContact O-CB 3.48Å; G809-L812 PolarHBondContact O-N 2.86Å; E810-L812 VanDerWaalsContact C-N 3.27Å; E810-L812 PolarHBondContact O-N 2.7Å; L812-K814 VanDerWaalsContact C-N 3.34Å; L812-K814 PolarHBondContact O-N 3.11Å; L812-H815 PolarHBondContact O-N 2.88Å; L812-I816 HydrophobicContact CD1-CD1 3.91Å; L812-I816 HydrophobicContact CD1-CG1 4.12Å; L812-I816 HydrophobicContact CG-CD1 3.9Å; L812-I816 HydrophobicContact CG-CG1 4.45Å; L812-I816 WeakPolarHBondContact O-CG1 3.3Å; L812-I816 PolarHBondContact O-N 2.9Å
813	A	88.7	Confident	86.1	Confident	12 Å²	12	65.5 Å²	65.5	10%	0.099	35%	0.353	C	S	.	.	H	α-helix	trans	-59	-45.3	176.5	0	0	0	0	0	111.8	V635 L637 T683 G809 E810 H815 I816 S817	V635-A813 HydrophobicContact CG1-CB 3.89Å; L637-A813 HydrophobicContact CD1-CB 3.52Å; T683-A813 HydrophobicContact CG2-CB 3.84Å; G809-A813 PolarHBondContact O-N 2.69Å; G809-A813 VanDerWaalsContact O-N 3.13Å; E810-A813 PolarHBondContact O-N 3.28Å; A813-H815 PolarHBondContact O-N 2.81Å; A813-I816 PolarHBondContact O-N 2.67Å; A813-S817 VanDerWaalsContact O-CB 3.32Å; A813-S817 WeakPolarHBondContact O-CB 3.46Å; A813-S817 PolarHBondContact O-N 2.86Å
814	K	89.1	Confident	86.3	Confident	166 Å²	166	59.6 Å²	59.6	72%	0.722	33%	0.328	S	S	*	.	H	α-helix	trans	-62.2	-41.9	176.3	-168.3	171.2	-175.3	173.1	0	112.4	E810 L812 S818	E810-K814 PolarHBondContact O-N 3.35Å; L812-K814 VanDerWaalsContact C-N 3.34Å; L812-K814 PolarHBondContact O-N 3.11Å; K814-S818 PolarHBondContact O-N 2.84Å; K814-S818 PolarHBondContact O-OG 2.83Å
815	H	88.7	Confident	86.7	Confident	72 Å²	72	64.4 Å²	64.4	33%	0.333	35%	0.35	S	S	.	.	H	α-helix	trans	-62.7	-48.1	175.5	-176.9	71.4	0	0	0	112	K803 L807 P811 L812 A813 S818 V819	K803-H815 PolarHBondContact O-NE2 2.83Å; L807-H815 HydrophobicContact CD1-CB 4.39Å; P811-H815 WeakPolarHBondContact O-CB 3.29Å; P811-H815 PolarHBondContact O-N 2.87Å; P811-H815 VanDerWaalsContact O-N 3.09Å; L812-H815 PolarHBondContact O-N 2.88Å; A813-H815 PolarHBondContact O-N 2.81Å; H815-S818 PolarHBondContact O-N 2.86Å; H815-S818 PolarHBondContact O-OG 3.38Å; H815-V819 WeakPolarHBondContact O-CB 3.5Å; H815-V819 VanDerWaalsContact O-CG2 3.26Å; H815-V819 WeakPolarHBondContact O-CG2 3.44Å; H815-V819 PolarHBondContact O-N 3.03Å
816	I	89.8	Confident	87.6	Confident	3 Å²	3	65.3 Å²	65.3	2%	0.015	35%	0.35	C	S	.	.	H	α-helix	trans	-62.9	-45.2	178.7	-66.1	173.5	0	0	0	110.9	V635 T683 I685 L812 A813 S818 V819 L820 I852 L857	V635-I816 HydrophobicContact CG1-CB 4.45Å; V635-I816 HydrophobicContact CG1-CG2 4.43Å; V635-I816 HydrophobicContact CG2-CB 4.49Å; V635-I816 HydrophobicContact CG2-CG2 3.9Å; T683-I816 HydrophobicContact CG2-CD1 4.25Å; I685-I816 HydrophobicContact CD1-CG2 3.68Å; I685-I816 HydrophobicContact CG1-CG2 3.96Å; L812-I816 HydrophobicContact CD1-CD1 3.91Å; L812-I816 HydrophobicContact CD1-CG1 4.12Å; L812-I816 HydrophobicContact CG-CD1 3.9Å; L812-I816 HydrophobicContact CG-CG1 4.45Å; L812-I816 WeakPolarHBondContact O-CG1 3.3Å; L812-I816 PolarHBondContact O-N 2.9Å; A813-I816 PolarHBondContact O-N 2.67Å; I816-S818 VanDerWaalsContact C-N 3.34Å; I816-S818 PolarHBondContact O-N 3.47Å; I816-V819 PolarHBondContact O-N 3.4Å; I816-V819 VanDerWaalsContact O-N 3.1Å; I816-L820 HydrophobicContact CG2-CD1 3.88Å; I816-L820 HydrophobicContact CG2-CG 4.11Å; I816-L820 WeakPolarHBondContact O-CG 3.37Å; I816-L820 PolarHBondContact O-N 3.5Å; I816-I852 HydrophobicContact CD1-CD1 4.46Å; I816-I852 HydrophobicContact CD1-CG2 4.45Å; I816-L857 HydrophobicContact CG2-CD2 4.44Å
817	S	90.4	Very high	88.2	Confident	67 Å²	67	58.5 Å²	58.5	47%	0.469	31%	0.313	S	S	.	.	H	α-helix	trans	-57.1	-44.1	177.1	172.3	0	0	0	0	112.2	A813 V819 P821	A813-S817 VanDerWaalsContact O-CB 3.32Å; A813-S817 WeakPolarHBondContact O-CB 3.46Å; A813-S817 PolarHBondContact O-N 2.86Å; S817-V819 VanDerWaalsContact C-N 3.29Å; S817-V819 PolarHBondContact O-N 3.45Å; S817-P821 WeakPolarHBondContact O-CD 3.43Å
818	S	90	Very high	88.7	Confident	69 Å²	69	57.4 Å²	57.4	48%	0.483	31%	0.307	S	S	.	.	H	α-helix	trans	-69.9	-21.1	177.5	68	0	0	0	0	114.9	K814 H815 I816 F822	K814-S818 PolarHBondContact O-N 2.84Å; K814-S818 PolarHBondContact O-OG 2.83Å; H815-S818 PolarHBondContact O-N 2.86Å; H815-S818 PolarHBondContact O-OG 3.38Å; I816-S818 VanDerWaalsContact C-N 3.34Å; I816-S818 PolarHBondContact O-N 3.47Å; S818-F822 WeakPolarHBondContact O-CD2 3.02Å; S818-F822 WeakPolarHBondContact O-CE2 3.36Å
819	V	89.1	Confident	89.2	Confident	22 Å²	22	53.9 Å²	53.9	13%	0.133	29%	0.286	C	S	.	.	H	α-helix	trans	-96.1	-27.3	-175.2	168.4	0	0	0	0	112.6	R802 H815 I816 S817 A823	R802-V819 HydrophobicContact CB-CG1 4.08Å; R802-V819 HydrophobicContact CG-CG1 3.74Å; H815-V819 WeakPolarHBondContact O-CB 3.5Å; H815-V819 VanDerWaalsContact O-CG2 3.26Å; H815-V819 WeakPolarHBondContact O-CG2 3.44Å; H815-V819 PolarHBondContact O-N 3.03Å; I816-V819 PolarHBondContact O-N 3.4Å; I816-V819 VanDerWaalsContact O-N 3.1Å; S817-V819 VanDerWaalsContact C-N 3.29Å; S817-V819 PolarHBondContact O-N 3.45Å; V819-A823 WeakPolarHBondContact O-CB 3.48Å; V819-A823 PolarHBondContact O-N 3.27Å
820	L	89	Confident	89.7	Confident	10 Å²	10	57.6 Å²	57.6	5%	0.052	30%	0.302	C	S	.	.	H	α-helix	trans	-56.2	-52	-174.3	-89.4	167.6	0	0	0	114.2	H633 V635 I685 I816 F822 A823 E824 F850 I859	H633-L820 HydrophobicContact CB-CD1 4.48Å; V635-L820 HydrophobicContact CG2-CD1 3.51Å; I685-L820 HydrophobicContact CG2-CD1 4.35Å; I816-L820 HydrophobicContact CG2-CD1 3.88Å; I816-L820 HydrophobicContact CG2-CG 4.11Å; I816-L820 WeakPolarHBondContact O-CG 3.37Å; I816-L820 PolarHBondContact O-N 3.5Å; L820-F822 PolarHBondContact O-N 3.19Å; L820-A823 PolarHBondContact O-N 3.21Å; L820-A823 VanDerWaalsContact O-N 3.14Å; L820-E824 PolarHBondContact O-N 2.99Å; L820-F850 HydrophobicContact CD2-CD1 4.29Å; L820-F850 HydrophobicContact CD2-CE1 3.57Å; L820-F850 HydrophobicContact CD2-CZ 4.4Å; L820-I859 HydrophobicContact CD2-CD1 4.14Å
821	P	88	Confident	90	Very high	70 Å²	70	52.2 Å²	52.2	46%	0.455	28%	0.277	S	S	.	.	H	α-helix	trans	-61.1	-42.6	-176	-25	35.2	0	0	0	113.1	S817 E824 H825	S817-P821 WeakPolarHBondContact O-CD 3.43Å; P821-E824 PolarHBondContact O-N 3.08Å; P821-H825 WeakPolarHBondContact O-CB 3.17Å; P821-H825 PolarHBondContact O-N 3.45Å
822	F	90.7	Very high	90.1	Very high	140 Å²	140	52.4 Å²	52.4	61%	0.614	27%	0.273	S	S	*	.	H	α-helix	trans	-69	-34.1	177.4	-55.8	-75.1	0	0	0	112.5	R802 S818 L820 D826	R802-F822 PolarHBondContact NH2-O 2.91Å; S818-F822 WeakPolarHBondContact O-CD2 3.02Å; S818-F822 WeakPolarHBondContact O-CE2 3.36Å; L820-F822 PolarHBondContact O-N 3.19Å; F822-D826 WeakPolarHBondContact O-CB 3.3Å; F822-D826 PolarHBondContact O-N 3.26Å; F822-D826 VanDerWaalsContact O-N 3.16Å
823	A	90	Very high	90.3	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-70.5	-36.4	174.3	0	0	0	0	0	111.9	I800 V819 L820 L827 I859	I800-A823 HydrophobicContact CG2-CB 4.4Å; V819-A823 WeakPolarHBondContact O-CB 3.48Å; V819-A823 PolarHBondContact O-N 3.27Å; L820-A823 PolarHBondContact O-N 3.21Å; L820-A823 VanDerWaalsContact O-N 3.14Å; A823-L827 WeakPolarHBondContact O-CB 3.3Å; A823-L827 VanDerWaalsContact O-CD1 3.23Å; A823-L827 WeakPolarHBondContact O-CD1 3.44Å; A823-L827 WeakPolarHBondContact O-CG 3.33Å; A823-L827 PolarHBondContact O-N 3.05Å; A823-I859 HydrophobicContact CB-CD1 3.82Å
824	E	87.6	Confident	90.4	Very high	41 Å²	41	58.6 Å²	58.6	19%	0.192	31%	0.307	C	S	.	.	H	α-helix	trans	-65.8	-47.7	174.3	178.1	159	-136.3	0	0	112.3	H633 L820 P821 D826 L827 H828 R848	H633-E824 IonicContact CD2-OE1 3.51Å; H633-E824 IonicContact CD2-OE2 2.7Å; H633-E824 PolarHBondContact CD2-OE2 3.41Å; H633-E824 IonicContact CE1-OE1 3.49Å; H633-E824 VanDerWaalsContact NE2-CD 3.27Å; H633-E824 IonicContact NE2-OE1 3.77Å; H633-E824 PolarHBondContact NE2-OE1 3.38Å; H633-E824 IonicContact NE2-OE2 2.67Å; H633-E824 PolarHBondContact NE2-OE2 2.91Å; L820-E824 PolarHBondContact O-N 2.99Å; P821-E824 PolarHBondContact O-N 3.08Å; E824-D826 PolarHBondContact O-N 3.19Å; E824-L827 PolarHBondContact O-N 2.83Å; E824-H828 PolarHBondContact O-CD2 3.18Å; E824-H828 PolarHBondContact O-N 3.21Å; E824-R848 VanDerWaalsContact CD-NH1 3.26Å; E824-R848 IonicContact OE1-CZ 2.7Å; E824-R848 IonicContact OE1-NH1 3.13Å; E824-R848 PolarHBondContact OE1-NH1 3.24Å; E824-R848 IonicContact OE1-NH2 3.38Å; E824-R848 PolarHBondContact OE1-NH2 3.43Å; E824-R848 IonicContact OE2-NH1 2.78Å
825	H	90.1	Very high	90.5	Very high	120 Å²	120	50.7 Å²	50.7	56%	0.556	27%	0.273	S	S	*	.	H	α-helix	trans	-52.9	-51.2	173.7	171.5	-87.2	0	0	0	112.2	P821 L827 H828 S829	P821-H825 WeakPolarHBondContact O-CB 3.17Å; P821-H825 PolarHBondContact O-N 3.45Å; H825-L827 VanDerWaalsContact C-N 3.35Å; H825-L827 PolarHBondContact O-N 2.89Å; H825-H828 PolarHBondContact O-N 3.13Å; H825-S829 WeakPolarHBondContact O-CB 3.44Å; H825-S829 PolarHBondContact O-N 2.55Å; H825-S829 PolarHBondContact O-OG 3.26Å
826	D	92.7	Very high	90.6	Very high	57 Å²	57	51.4 Å²	51.4	31%	0.305	28%	0.276	S	S	.	.	H	α-helix	trans	-67.2	-34.1	-178.2	-71.2	1.3	0	0	0	112.2	I800 R802 F822 E824 S829 Q830	I800-D826 HydrophobicContact CD1-CB 3.2Å; R802-D826 IonicContact CZ-OD2 3.58Å; R802-D826 IonicContact NH1-OD2 3.58Å; R802-D826 PolarHBondContact NH1-OD2 3.41Å; R802-D826 IonicContact NH2-OD2 3.62Å; R802-D826 PolarHBondContact NH2-OD2 3.45Å; F822-D826 WeakPolarHBondContact O-CB 3.3Å; F822-D826 PolarHBondContact O-N 3.26Å; F822-D826 VanDerWaalsContact O-N 3.16Å; E824-D826 PolarHBondContact O-N 3.19Å; D826-S829 PolarHBondContact O-N 3.16Å; D826-Q830 WeakPolarHBondContact O-CG 3.39Å; D826-Q830 PolarHBondContact O-N 3.5Å
827	L	92.5	Very high	90.5	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-66.9	-47.5	174.9	-76.1	158.3	0	0	0	111.7	A798 I800 A823 E824 H825 S829 Q830 L831 I859 L861	A798-L827 HydrophobicContact CB-CB 4.42Å; A798-L827 HydrophobicContact CB-CD2 3.95Å; A798-L827 WeakPolarHBondContact CB-O 3.3Å; I800-L827 HydrophobicContact CB-CD2 4.02Å; I800-L827 HydrophobicContact CB-CG 4.17Å; I800-L827 HydrophobicContact CD1-CD2 4.27Å; I800-L827 HydrophobicContact CD1-CG 3.82Å; I800-L827 HydrophobicContact CG1-CD2 3.77Å; I800-L827 HydrophobicContact CG1-CG 3.86Å; A823-L827 WeakPolarHBondContact O-CB 3.3Å; A823-L827 VanDerWaalsContact O-CD1 3.23Å; A823-L827 WeakPolarHBondContact O-CD1 3.44Å; A823-L827 WeakPolarHBondContact O-CG 3.33Å; A823-L827 PolarHBondContact O-N 3.05Å; E824-L827 PolarHBondContact O-N 2.83Å; H825-L827 VanDerWaalsContact C-N 3.35Å; H825-L827 PolarHBondContact O-N 2.89Å; L827-S829 VanDerWaalsContact C-N 3.29Å; L827-S829 PolarHBondContact O-N 3.18Å; L827-Q830 PolarHBondContact O-N 3.36Å; L827-L831 WeakPolarHBondContact O-CB 3.42Å; L827-L831 PolarHBondContact O-N 3.23Å; L827-I859 HydrophobicContact CD1-CB 3.75Å; L827-I859 HydrophobicContact CD1-CD1 4.44Å; L827-I859 HydrophobicContact CD1-CG2 3.47Å; L827-I859 VanDerWaalsContact CD1-CG2 3.47Å; L827-L861 HydrophobicContact CB-CD1 3.62Å; L827-L861 HydrophobicContact CD1-CD1 4.01Å; L827-L861 HydrophobicContact CG-CD1 4.27Å
828	H	91.4	Very high	90.5	Very high	42 Å²	42	55 Å²	55	19%	0.194	30%	0.3	C	S	.	.	H	α-helix	trans	-63.2	-38.6	175.8	-83.7	-85.3	0	0	0	110.9	E824 H825 L831 M832 R848	E824-H828 PolarHBondContact O-CD2 3.18Å; E824-H828 PolarHBondContact O-N 3.21Å; H825-H828 PolarHBondContact O-N 3.13Å; H828-L831 PolarHBondContact O-N 2.99Å; H828-M832 HydrophobicContact CB-CE 4.32Å; H828-M832 WeakPolarHBondContact O-CB 3.4Å; H828-M832 WeakPolarHBondContact O-CE 3.36Å; H828-M832 VanDerWaalsContact O-CG 3.28Å; H828-M832 WeakPolarHBondContact O-CG 3.48Å; H828-M832 PolarHBondContact O-N 3Å; H828-R848 PolarHBondContact NE2-NH2 3.05Å
829	S	90.8	Very high	90.4	Very high	45 Å²	45	51.9 Å²	51.9	32%	0.315	28%	0.279	S	S	.	.	H	α-helix	trans	-60.5	-46.4	174.1	-60.5	0	0	0	0	112.5	H825 D826 L827 S833	H825-S829 WeakPolarHBondContact O-CB 3.44Å; H825-S829 PolarHBondContact O-N 2.55Å; H825-S829 PolarHBondContact O-OG 3.26Å; D826-S829 PolarHBondContact O-N 3.16Å; L827-S829 VanDerWaalsContact C-N 3.29Å; L827-S829 PolarHBondContact O-N 3.18Å; S829-S833 VanDerWaalsContact O-CB 3.24Å; S829-S833 WeakPolarHBondContact O-CB 3.27Å; S829-S833 PolarHBondContact O-N 3.49Å
830	Q	93.1	Very high	90.5	Very high	86 Å²	86	51.9 Å²	51.9	40%	0.402	28%	0.277	S	S	.	.	H	α-helix	trans	-59.5	-47	172.5	-80.1	-174.1	5	0	0	111.8	A798 R799 D826 L827 S833 Q834	A798-Q830 HydrophobicContact CB-CB 3.8Å; R799-Q830 VanDerWaalsContact N-OE1 3.1Å; R799-Q830 PolarHBondContact O-OE1 2.84Å; D826-Q830 WeakPolarHBondContact O-CG 3.39Å; D826-Q830 PolarHBondContact O-N 3.5Å; L827-Q830 PolarHBondContact O-N 3.36Å; Q830-S833 PolarHBondContact O-N 3.34Å; Q830-Q834 VanDerWaalsContact O-CB 3.3Å; Q830-Q834 WeakPolarHBondContact O-CB 3.45Å; Q830-Q834 PolarHBondContact O-N 3.41Å
831	L	93.7	Very high	90.6	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-62.7	-47.2	-176.4	-169.9	77.4	0	0	0	111.5	V778 V796 A798 L827 H828 T835 V843 L846	V778-L831 HydrophobicContact CG1-CD2 4.43Å; V796-L831 HydrophobicContact CB-CD1 4.02Å; V796-L831 HydrophobicContact CG2-CD1 3.71Å; A798-L831 HydrophobicContact CB-CB 4.03Å; A798-L831 HydrophobicContact CB-CD1 4.35Å; L827-L831 WeakPolarHBondContact O-CB 3.42Å; L827-L831 PolarHBondContact O-N 3.23Å; H828-L831 PolarHBondContact O-N 2.99Å; L831-T835 VanDerWaalsContact O-CB 3.25Å; L831-T835 WeakPolarHBondContact O-CB 3.5Å; L831-T835 PolarHBondContact O-N 3.32Å; L831-T835 PolarHBondContact O-OG1 3.28Å; L831-V843 HydrophobicContact CD2-CG1 4.47Å; L831-L846 HydrophobicContact CD2-CD1 3.53Å
832	M	90.1	Very high	90.7	Very high	74 Å²	74	48.2 Å²	48.2	37%	0.365	25%	0.254	S	S	.	.	H	α-helix	trans	-65.7	-45.6	178.7	-67.8	-174.1	-68.8	0	0	111.1	M776 H828 Q834 T835 Q836	M776-M832 HydrophobicContact SD-CB 3.92Å; M776-M832 HydrophobicContact SD-CG 3.7Å; H828-M832 HydrophobicContact CB-CE 4.32Å; H828-M832 WeakPolarHBondContact O-CB 3.4Å; H828-M832 WeakPolarHBondContact O-CE 3.36Å; H828-M832 VanDerWaalsContact O-CG 3.28Å; H828-M832 WeakPolarHBondContact O-CG 3.48Å; H828-M832 PolarHBondContact O-N 3Å; M832-Q834 PolarHBondContact O-N 2.96Å; M832-T835 PolarHBondContact O-N 2.92Å; M832-Q836 WeakPolarHBondContact O-CG 3.19Å; M832-Q836 PolarHBondContact O-N 3.21Å
833	S	90.3	Very high	90.9	Very high	72 Å²	72	41.6 Å²	41.6	50%	0.503	22%	0.224	S	C	.	.	H	α-helix	trans	-62.3	-43.4	177.4	-177.9	0	0	0	0	112.4	S829 Q830 T835 Q836 A837	S829-S833 VanDerWaalsContact O-CB 3.24Å; S829-S833 WeakPolarHBondContact O-CB 3.27Å; S829-S833 PolarHBondContact O-N 3.49Å; Q830-S833 PolarHBondContact O-N 3.34Å; S833-T835 VanDerWaalsContact C-N 3.35Å; S833-T835 PolarHBondContact O-N 2.9Å; S833-Q836 PolarHBondContact O-N 3.25Å; S833-A837 VanDerWaalsContact O-CB 3.31Å; S833-A837 WeakPolarHBondContact O-CB 3.25Å; S833-A837 PolarHBondContact O-N 3.02Å
834	Q	91.6	Very high	91	Very high	74 Å²	74	41.6 Å²	41.6	35%	0.346	22%	0.224	S	C	.	.	H	α-helix	trans	-62.7	-41.9	174.7	-171.9	-177.2	15.2	0	0	111.4	V796 Q797 Q830 M832 A837 L838	V796-Q834 HydrophobicContact CG1-CG 4.16Å; Q797-Q834 VanDerWaalsContact N-OE1 3.16Å; Q830-Q834 VanDerWaalsContact O-CB 3.3Å; Q830-Q834 WeakPolarHBondContact O-CB 3.45Å; Q830-Q834 PolarHBondContact O-N 3.41Å; M832-Q834 PolarHBondContact O-N 2.96Å; Q834-A837 PolarHBondContact O-N 2.98Å; Q834-L838 HydrophobicContact CG-CD1 4.17Å; Q834-L838 VanDerWaalsContact O-CG 3.3Å; Q834-L838 WeakPolarHBondContact O-CG 3.42Å; Q834-L838 PolarHBondContact O-N 3.45Å
835	T	91.4	Very high	91.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-64.6	-44.9	179.5	-60.2	0	0	0	0	111.2	M776 L831 M832 S833 L838 G839 R840 V843 A865	M776-T835 HydrophobicContact CE-CG2 3.41Å; M776-T835 VanDerWaalsContact CE-CG2 3.41Å; M776-T835 HydrophobicContact SD-CG2 3.96Å; L831-T835 VanDerWaalsContact O-CB 3.25Å; L831-T835 WeakPolarHBondContact O-CB 3.5Å; L831-T835 PolarHBondContact O-N 3.32Å; L831-T835 PolarHBondContact O-OG1 3.28Å; M832-T835 PolarHBondContact O-N 2.92Å; S833-T835 VanDerWaalsContact C-N 3.35Å; S833-T835 PolarHBondContact O-N 2.9Å; T835-L838 PolarHBondContact O-N 3Å; T835-G839 PolarHBondContact O-N 3.5Å; T835-R840 CarbonylContact C-O 3.56Å; T835-R840 HydrophobicContact CG2-CB 3.71Å; T835-R840 WeakPolarHBondContact O-CB 3.49Å; T835-R840 PolarHBondContact O-N 2.96Å; T835-V843 HydrophobicContact CG2-CG2 3.76Å; T835-V843 WeakPolarHBondContact OG1-CG2 3.17Å; T835-A865 HydrophobicContact CG2-CB 4Å
836	Q	90.2	Very high	91.3	Very high	87 Å²	87	34.8 Å²	34.8	41%	0.407	20%	0.197	S	C	.	.	H	α-helix	trans	-62.8	-44.1	173.9	-72.2	176.6	-14.1	0	0	112.2	M776 M832 S833 L838 G839	M776-Q836 HydrophobicContact CE-CG 3.64Å; M832-Q836 WeakPolarHBondContact O-CG 3.19Å; M832-Q836 PolarHBondContact O-N 3.21Å; S833-Q836 PolarHBondContact O-N 3.25Å; Q836-L838 VanDerWaalsContact C-N 3.26Å; Q836-L838 PolarHBondContact O-N 2.93Å; Q836-G839 WeakPolarHBondContact O-CA 3.12Å; Q836-G839 PolarHBondContact O-N 3.12Å
837	A	88.2	Confident	91.2	Very high	74 Å²	74	39.5 Å²	39.5	61%	0.612	21%	0.21	S	C	*	.	H	α-helix	trans	-63.9	-30.1	178.5	0	0	0	0	0	113.1	S833 Q834 G839	S833-A837 VanDerWaalsContact O-CB 3.31Å; S833-A837 WeakPolarHBondContact O-CB 3.25Å; S833-A837 PolarHBondContact O-N 3.02Å; Q834-A837 PolarHBondContact O-N 2.98Å; A837-G839 PolarHBondContact O-N 3.15Å
838	L	89.5	Confident	91.1	Very high	72 Å²	72	40.1 Å²	40.1	38%	0.377	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	0.6	170.7	-69.5	169	0	0	0	113.5	V794 V796 Q834 T835 Q836 R840	V794-L838 HydrophobicContact CG1-CD1 3.98Å; V796-L838 HydrophobicContact CG1-CD1 3.59Å; Q834-L838 HydrophobicContact CG-CD1 4.17Å; Q834-L838 VanDerWaalsContact O-CG 3.3Å; Q834-L838 WeakPolarHBondContact O-CG 3.42Å; Q834-L838 PolarHBondContact O-N 3.45Å; T835-L838 PolarHBondContact O-N 3Å; Q836-L838 VanDerWaalsContact C-N 3.26Å; Q836-L838 PolarHBondContact O-N 2.93Å; L838-R840 HydrophobicContact CB-CG 4.13Å
839	G	88.8	Confident	91	Very high	4 Å²	4	43.7 Å²	43.7	4%	0.041	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	31.8	-177.6	0	0	0	0	0	113.5	T835 Q836 A837 P874	T835-G839 PolarHBondContact O-N 3.5Å; Q836-G839 WeakPolarHBondContact O-CA 3.12Å; Q836-G839 PolarHBondContact O-N 3.12Å; A837-G839 PolarHBondContact O-N 3.15Å; G839-P874 VanDerWaalsContact C-CG 3.42Å
840	R	90.6	Very high	90.9	Very high	22 Å²	22	41.9 Å²	41.9	8%	0.083	22%	0.216	C	C	.	.			trans	-114.1	157.2	178.5	-54.2	-54.1	-175	-162.2	-2.7	110.5	D792 T835 L838 A865 V866	D792-R840 VanDerWaalsContact CG-NH1 3.34Å; D792-R840 PolarHBondContact O-NE 2.98Å; D792-R840 PolarHBondContact O-NH1 3.35Å; D792-R840 PolarHBondContact O-NH2 3.16Å; D792-R840 IonicContact OD1-CZ 3.8Å; D792-R840 IonicContact OD1-NH2 2.93Å; D792-R840 PolarHBondContact OD1-NH2 3.26Å; D792-R840 IonicContact OD2-CZ 3.18Å; D792-R840 IonicContact OD2-NH1 2.73Å; D792-R840 PolarHBondContact OD2-NH1 3.38Å; D792-R840 IonicContact OD2-NH2 2.77Å; D792-R840 PolarHBondContact OD2-NH2 3.4Å; T835-R840 CarbonylContact C-O 3.56Å; T835-R840 HydrophobicContact CG2-CB 3.71Å; T835-R840 WeakPolarHBondContact O-CB 3.49Å; T835-R840 PolarHBondContact O-N 2.96Å; L838-R840 HydrophobicContact CB-CG 4.13Å; R840-A865 HydrophobicContact CB-CB 4.09Å; R840-A865 HydrophobicContact CG-CB 4.07Å; R840-V866 WeakPolarHBondContact CB-O 3.36Å
841	N	90.4	Very high	90.7	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.016	22%	0.218	C	C	.	.			trans	-134.6	9.2	-177.8	62	4.5	0	0	0	113.7	M776 I777 V866 L868 L871 V872	M776-N841 VanDerWaalsContact CA-O 3.26Å; M776-N841 WeakPolarHBondContact CA-O 3.48Å; M776-N841 WeakPolarHBondContact CG-O 3.42Å; I777-N841 PolarHBondContact N-O 2.81Å; N841-V866 PolarHBondContact N-O 3.22Å; N841-L868 PolarHBondContact ND2-O 2.86Å; N841-L868 PolarHBondContact OD1-N 3.32Å; N841-L868 PolarHBondContact OD1-O 3.4Å; N841-L871 WeakPolarHBondContact ND2-CB 3.45Å; N841-L871 WeakPolarHBondContact O-CD1 3.42Å; N841-V872 PolarHBondContact ND2-O 3.19Å
842	A	91.8	Very high	90.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	149.5	172.8	0	0	0	0	0	111.4	I777 F844 A865 V866 L868 L871	I777-A842 HydrophobicContact CG2-CB 3.57Å; I777-A842 CarbonylContact O-C 3.58Å; I777-A842 VanDerWaalsContact O-CA 3.26Å; I777-A842 WeakPolarHBondContact O-CA 3.36Å; A842-F844 HydrophobicContact CB-CD2 4.41Å; A842-F844 HydrophobicContact CB-CE2 3.86Å; A842-A865 CarbonylContact O-C 3.51Å; A842-A865 VanDerWaalsContact O-CA 3.25Å; A842-A865 WeakPolarHBondContact O-CA 3.34Å; A842-V866 HydrophobicContact CB-CG2 3.77Å; A842-V866 PolarHBondContact N-O 3.44Å; A842-V866 PolarHBondContact O-N 2.95Å; A842-L868 HydrophobicContact CB-CD1 3.56Å; A842-L868 HydrophobicContact CB-CG 3.72Å; A842-L871 HydrophobicContact CB-CD1 4.42Å
843	V	94.1	Very high	90.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	125.4	171.7	-175.2	0	0	0	0	109.7	I777 V778 C779 V796 L831 T835 L846 T864 A865	I777-V843 PolarHBondContact O-N 3.28Å; V778-V843 CarbonylContact C-O 3.59Å; V778-V843 WeakPolarHBondContact CA-O 3.47Å; V778-V843 HydrophobicContact CG1-CB 4.37Å; V778-V843 HydrophobicContact CG2-CB 4.39Å; C779-V843 PolarHBondContact N-O 2.98Å; V796-V843 HydrophobicContact CG2-CG1 3.94Å; V796-V843 HydrophobicContact CG2-CG2 4.22Å; L831-V843 HydrophobicContact CD2-CG1 4.47Å; T835-V843 HydrophobicContact CG2-CG2 3.76Å; T835-V843 WeakPolarHBondContact OG1-CG2 3.17Å; V843-L846 HydrophobicContact CG1-CD1 4.16Å; V843-T864 WeakPolarHBondContact CA-O 3.27Å; V843-A865 HydrophobicContact CG2-CB 4.38Å
844	F	92.5	Very high	89.6	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	167.7	176.8	-69.8	-89.7	0	0	0	111.9	L626 F747 C779 P783 A842 L846 T864 V866 L868	L626-F844 HydrophobicContact CD1-CE1 4.39Å; F747-F844 HydrophobicContact CE1-CZ 4.27Å; F747-F844 HydrophobicContact CZ-CZ 4.4Å; C779-F844 HydrophobicContact CB-CD1 3.65Å; C779-F844 HydrophobicContact CB-CE1 4.01Å; C779-F844 HydrophobicContact CB-CG 4.38Å; C779-F844 CarbonylContact O-C 3.59Å; P783-F844 HydrophobicContact CB-CB 4.31Å; P783-F844 HydrophobicContact CB-CD1 4.07Å; P783-F844 HydrophobicContact CB-CD2 4.01Å; P783-F844 HydrophobicContact CB-CE1 4.38Å; P783-F844 HydrophobicContact CB-CE2 4.32Å; P783-F844 HydrophobicContact CB-CG 3.87Å; P783-F844 HydrophobicContact CG-CB 4.44Å; A842-F844 HydrophobicContact CB-CD2 4.41Å; A842-F844 HydrophobicContact CB-CE2 3.86Å; F844-L846 VanDerWaalsContact C-N 3.27Å; F844-L846 PolarHBondContact O-N 3.5Å; F844-T864 PolarHBondContact N-O 3.3Å; F844-T864 PolarHBondContact O-N 3.39Å; F844-V866 HydrophobicContact CD2-CG2 3.74Å; F844-V866 HydrophobicContact CE2-CG2 3.73Å; F844-L868 HydrophobicContact CE2-CD1 4.18Å; F844-L868 HydrophobicContact CZ-CD1 4.25Å
845	G	91.3	Very high	89.3	Confident	14 Å²	14	45 Å²	45	14%	0.144	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	65.2	26	177.5	0	0	0	0	0	114	C779 I781 R847	C779-G845 PolarHBondContact O-N 3.41Å; I781-G845 PolarHBondContact O-N 2.94Å; G845-R847 PolarHBondContact O-N 3.09Å
846	L	92.3	Very high	89.2	Confident	5 Å²	5	49.4 Å²	49.4	3%	0.026	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	107.2	-169.3	-167.8	83.9	0	0	0	112.6	A629 R674 V778 C779 T780 L831 V843 F844 L861 T862	A629-L846 HydrophobicContact CB-CD2 4.48Å; R674-L846 PolarHBondContact NH1-O 3.02Å; V778-L846 HydrophobicContact CG1-CB 4.45Å; V778-L846 HydrophobicContact CG1-CD1 4Å; V778-L846 HydrophobicContact CG1-CD2 3.74Å; V778-L846 HydrophobicContact CG1-CG 4.27Å; C779-L846 WeakPolarHBondContact O-CB 3.41Å; C779-L846 PolarHBondContact O-N 3.44Å; T780-L846 HydrophobicContact CG2-CB 4.49Å; L831-L846 HydrophobicContact CD2-CD1 3.53Å; V843-L846 HydrophobicContact CG1-CD1 4.16Å; F844-L846 VanDerWaalsContact C-N 3.27Å; F844-L846 PolarHBondContact O-N 3.5Å; L846-L861 HydrophobicContact CD1-CD2 3.78Å; L846-L861 HydrophobicContact CD2-CD2 3.66Å; L846-L861 HydrophobicContact CG-CD2 3.63Å; L846-T862 CarbonylContact C-O 3.52Å; L846-T862 WeakPolarHBondContact CA-O 3.45Å
847	R	91.1	Very high	89.1	Confident	156 Å²	156	45.5 Å²	45.5	59%	0.589	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-105.1	149.9	173.9	-68.6	-177.3	-173.4	-140.4	0.1	110.7	G845 L861 T862	G845-R847 PolarHBondContact O-N 3.09Å; R847-L861 WeakPolarHBondContact O-CA 3.39Å; R847-T862 PolarHBondContact N-O 3.28Å; R847-T862 PolarHBondContact O-N 3.26Å
848	R	89.6	Confident	89.2	Confident	13 Å²	13	45.7 Å²	45.7	5%	0.049	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	145.3	179.8	-172.7	177.9	-58.1	-150.1	8.1	107.7	H633 E824 H828 F850 I859 L860 L861	H633-R848 PolarHBondContact CE1-NH1 3.48Å; H633-R848 PolarHBondContact NE2-NH1 3.16Å; E824-R848 VanDerWaalsContact CD-NH1 3.26Å; E824-R848 IonicContact OE1-CZ 2.7Å; E824-R848 IonicContact OE1-NH1 3.13Å; E824-R848 PolarHBondContact OE1-NH1 3.24Å; E824-R848 IonicContact OE1-NH2 3.38Å; E824-R848 PolarHBondContact OE1-NH2 3.43Å; E824-R848 IonicContact OE2-NH1 2.78Å; H828-R848 PolarHBondContact NE2-NH2 3.05Å; R848-F850 VanDerWaalsContact CD-CZ 3.48Å; R848-F850 HydrophobicContact CG-CE2 4.03Å; R848-F850 HydrophobicContact CG-CZ 4.24Å; R848-I859 HydrophobicContact CG-CG2 4.33Å; R848-L860 CarbonylContact C-O 3.54Å; R848-L860 VanDerWaalsContact CA-O 3.31Å; R848-L860 WeakPolarHBondContact CA-O 3.26Å; R848-L861 HydrophobicContact CB-CD2 4.13Å; R848-L861 HydrophobicContact CB-CG 4.34Å; R848-L861 HydrophobicContact CG-CD2 4.42Å; R848-L861 HydrophobicContact CG-CG 4.15Å
849	E	90.4	Very high	89.4	Confident	117 Å²	117	42.4 Å²	42.4	55%	0.547	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	134	171	-65	-169.4	172.5	0	0	110.4	I859 L860	E849-I859 WeakPolarHBondContact O-CA 3.29Å; E849-L860 PolarHBondContact N-O 2.88Å; E849-L860 PolarHBondContact O-N 3.4Å
850	F	88.4	Confident	89.6	Confident	6 Å²	6	44.5 Å²	44.5	3%	0.026	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	134.5	170.8	-54.5	-96.2	0	0	0	110.1	H633 K678 I685 L820 R848 I859	H633-F850 AromaticContact ND1-CZ 3.77Å; K678-F850 VanDerWaalsContact CE-O 3.32Å; K678-F850 WeakPolarHBondContact CE-O 3.49Å; K678-F850 HydrophobicContact CG-CB 4.13Å; K678-F850 WeakPolarHBondContact CG-O 3.49Å; I685-F850 HydrophobicContact CD1-CD1 4.33Å; L820-F850 HydrophobicContact CD2-CD1 4.29Å; L820-F850 HydrophobicContact CD2-CE1 3.57Å; L820-F850 HydrophobicContact CD2-CZ 4.4Å; R848-F850 VanDerWaalsContact CD-CZ 3.48Å; R848-F850 HydrophobicContact CG-CE2 4.03Å; R848-F850 HydrophobicContact CG-CZ 4.24Å; F850-I859 HydrophobicContact CD1-CB 4.43Å; F850-I859 HydrophobicContact CD1-CD1 3.98Å; F850-I859 HydrophobicContact CD1-CG1 3.87Å; F850-I859 HydrophobicContact CD1-CG2 3.87Å; F850-I859 HydrophobicContact CE1-CD1 3.95Å; F850-I859 HydrophobicContact CE1-CG1 4.29Å; F850-I859 HydrophobicContact CE1-CG2 3.9Å
851	A	88.6	Confident	89.8	Confident	53 Å²	53	43.4 Å²	43.4	44%	0.438	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	116	171.8	0	0	0	0	0	110.2	I858	A851-I858 HydrophobicContact CB-CB 4.34Å; A851-I858 PolarHBondContact N-O 3.28Å; A851-I858 PolarHBondContact O-N 3.04Å
852	I	85.9	Confident	90	Very high	28 Å²	28	44.8 Å²	44.8	14%	0.144	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	92.3	-178.2	-48	171.1	0	0	0	108.3	S680 I685 K804 I816 L857	S680-I852 WeakPolarHBondContact OG-CG2 3.35Å; I685-I852 HydrophobicContact CD1-CD1 3.75Å; I685-I852 HydrophobicContact CD1-CG1 4.18Å; I685-I852 HydrophobicContact CG1-CD1 4Å; K804-I852 HydrophobicContact CD-CG2 4.16Å; I816-I852 HydrophobicContact CD1-CD1 4.46Å; I816-I852 HydrophobicContact CD1-CG2 4.45Å; I852-L857 HydrophobicContact CG1-CD1 3.98Å
853	G	85	Confident	90.1	Very high	34 Å²	34	45 Å²	45	35%	0.351	24%	0.236	S	C	.	.			trans	-78	-168.4	174.7	0	0	0	0	0	112.8	K804 F856	K804-G853 VanDerWaalsContact CD-O 3.31Å; K804-G853 WeakPolarHBondContact CD-O 3.18Å; K804-G853 WeakPolarHBondContact CE-O 3.45Å; K804-G853 PolarHBondContact NZ-O 3.03Å; G853-F856 WeakPolarHBondContact CA-O 3.33Å; G853-F856 PolarHBondContact N-O 2.68Å
854	N	81.1	Confident	90.1	Very high	142 Å²	142	47.8 Å²	47.8	76%	0.759	25%	0.253	S	S	*	.	S	Bend	trans	-75	-48.5	177.5	-68.3	-6.9	0	0	0	111.7	K804	K804-N854 WeakPolarHBondContact CD-O 3.41Å; K804-N854 WeakPolarHBondContact CE-O 3.48Å
855	Q	84.6	Confident	90.1	Very high	114 Å²	114	47.8 Å²	47.8	53%	0.533	25%	0.253	S	S	.	.	S	Bend	trans	-107.6	-7.1	-176.7	-66	-178.9	-9.8	0	0	114.4	K804	K804-Q855 PolarHBondContact N-O 2.69Å
856	F	88	Confident	90.1	Very high	94 Å²	94	47.2 Å²	47.2	41%	0.412	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	139.2	-173.9	-59.6	-73	0	0	0	112.1	V801 R802 G853 I858	V801-F856 HydrophobicContact CG1-CB 3.97Å; V801-F856 HydrophobicContact CG1-CD1 3.55Å; V801-F856 HydrophobicContact CG1-CE1 4.33Å; V801-F856 HydrophobicContact CG1-CG 3.94Å; R802-F856 WeakPolarHBondContact O-CA 3.19Å; G853-F856 WeakPolarHBondContact CA-O 3.33Å; G853-F856 PolarHBondContact N-O 2.68Å; F856-I858 HydrophobicContact CB-CG1 4.38Å
857	L	88.3	Confident	89.9	Confident	5 Å²	5	50.2 Å²	50.2	3%	0.026	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	122.5	157.3	173.6	64.2	0	0	0	106.9	I685 V801 R802 I816 I852 I859	I685-L857 HydrophobicContact CD1-CD1 4.37Å; V801-L857 WeakPolarHBondContact CA-O 3.34Å; R802-L857 PolarHBondContact N-O 3.48Å; R802-L857 PolarHBondContact O-N 2.75Å; I816-L857 HydrophobicContact CG2-CD2 4.44Å; I852-L857 HydrophobicContact CG1-CD1 3.98Å; L857-I859 HydrophobicContact CD1-CG1 4.44Å; L857-I859 HydrophobicContact CD2-CD1 4.29Å; L857-I859 HydrophobicContact CG-CD1 4.48Å; L857-I859 HydrophobicContact CG-CG1 4.16Å
858	I	91.3	Very high	89.8	Confident	77 Å²	77	42.9 Å²	42.9	40%	0.395	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	134.5	173.6	-52.9	179.4	0	0	0	107.7	I800 V801 A851 F856	I800-I858 WeakPolarHBondContact O-CA 3.35Å; V801-I858 HydrophobicContact CG1-CG1 4.38Å; V801-I858 HydrophobicContact CG2-CG1 4.25Å; V801-I858 HydrophobicContact CG2-CG2 4.47Å; A851-I858 HydrophobicContact CB-CB 4.34Å; A851-I858 PolarHBondContact N-O 3.28Å; A851-I858 PolarHBondContact O-N 3.04Å; F856-I858 HydrophobicContact CB-CG1 4.38Å
859	I	92.7	Very high	89.5	Confident	3 Å²	3	46.6 Å²	46.6	2%	0.015	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	129.1	172.5	-43.7	179	0	0	0	107.6	R799 I800 L820 A823 L827 R848 E849 F850 L857	R799-I859 WeakPolarHBondContact CA-O 3.43Å; I800-I859 PolarHBondContact N-O 2.65Å; I800-I859 PolarHBondContact O-N 2.95Å; L820-I859 HydrophobicContact CD2-CD1 4.14Å; A823-I859 HydrophobicContact CB-CD1 3.82Å; L827-I859 HydrophobicContact CD1-CB 3.75Å; L827-I859 HydrophobicContact CD1-CD1 4.44Å; L827-I859 HydrophobicContact CD1-CG2 3.47Å; L827-I859 VanDerWaalsContact CD1-CG2 3.47Å; R848-I859 HydrophobicContact CG-CG2 4.33Å; E849-I859 WeakPolarHBondContact O-CA 3.29Å; F850-I859 HydrophobicContact CD1-CB 4.43Å; F850-I859 HydrophobicContact CD1-CD1 3.98Å; F850-I859 HydrophobicContact CD1-CG1 3.87Å; F850-I859 HydrophobicContact CD1-CG2 3.87Å; F850-I859 HydrophobicContact CE1-CD1 3.95Å; F850-I859 HydrophobicContact CE1-CG1 4.29Å; F850-I859 HydrophobicContact CE1-CG2 3.9Å; L857-I859 HydrophobicContact CD1-CG1 4.44Å; L857-I859 HydrophobicContact CD2-CD1 4.29Å; L857-I859 HydrophobicContact CG-CD1 4.48Å; L857-I859 HydrophobicContact CG-CG1 4.16Å
860	L	94	Very high	89.1	Confident	48 Å²	48	41.2 Å²	41.2	25%	0.251	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	137.1	178.2	-178	68.2	0	0	0	108.8	R799 R848 E849 T862	R799-L860 HydrophobicContact CB-CD1 3.97Å; R848-L860 CarbonylContact C-O 3.54Å; R848-L860 VanDerWaalsContact CA-O 3.31Å; R848-L860 WeakPolarHBondContact CA-O 3.26Å; E849-L860 PolarHBondContact N-O 2.88Å; E849-L860 PolarHBondContact O-N 3.4Å; L860-T862 HydrophobicContact CD1-CG2 4.18Å; L860-T862 HydrophobicContact CD2-CG2 3.82Å; L860-T862 HydrophobicContact CG-CG2 3.74Å
861	L	94.3	Very high	89	Confident	0 Å²	0	41 Å²	41	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	122.2	171.2	-102.4	158.1	0	0	0	108.2	Q797 A798 L827 L846 R847 R848	Q797-L861 CarbonylContact C-O 3.54Å; Q797-L861 VanDerWaalsContact CA-O 3.32Å; Q797-L861 WeakPolarHBondContact CA-O 3.34Å; A798-L861 HydrophobicContact CB-CB 4.29Å; A798-L861 PolarHBondContact N-O 3.4Å; A798-L861 PolarHBondContact O-N 3.38Å; L827-L861 HydrophobicContact CB-CD1 3.62Å; L827-L861 HydrophobicContact CD1-CD1 4.01Å; L827-L861 HydrophobicContact CG-CD1 4.27Å; L846-L861 HydrophobicContact CD1-CD2 3.78Å; L846-L861 HydrophobicContact CD2-CD2 3.66Å; L846-L861 HydrophobicContact CG-CD2 3.63Å; R847-L861 WeakPolarHBondContact O-CA 3.39Å; R848-L861 HydrophobicContact CB-CD2 4.13Å; R848-L861 HydrophobicContact CB-CG 4.34Å; R848-L861 HydrophobicContact CG-CD2 4.42Å; R848-L861 HydrophobicContact CG-CG 4.15Å
862	T	95.1	Very high	88.8	Confident	32 Å²	32	40.4 Å²	40.4	20%	0.196	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	145.8	-177.5	66.1	0	0	0	0	110.5	Q797 L846 R847 L860	Q797-T862 HydrophobicContact CG-CG2 3.88Å; L846-T862 CarbonylContact C-O 3.52Å; L846-T862 WeakPolarHBondContact CA-O 3.45Å; R847-T862 PolarHBondContact N-O 3.28Å; R847-T862 PolarHBondContact O-N 3.26Å; L860-T862 HydrophobicContact CD1-CG2 4.18Å; L860-T862 HydrophobicContact CD2-CG2 3.82Å; L860-T862 HydrophobicContact CG-CG2 3.74Å
863	G	93.7	Very high	88.5	Confident	5 Å²	5	43.2 Å²	43.2	5%	0.052	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170	175.6	176.9	0	0	0	0	0	112.5	V796	V796-G863 WeakPolarHBondContact CG2-O 3.47Å; V796-G863 PolarHBondContact N-O 3.01Å; V796-G863 PolarHBondContact O-N 3.12Å; V796-G863 VanDerWaalsContact O-N 3.07Å
864	T	93.2	Very high	88.2	Confident	58 Å²	58	42.6 Å²	42.6	36%	0.356	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	106.7	-178.6	-58.7	0	0	0	0	109.2	A793 V843 F844 V866	A793-T864 HydrophobicContact CB-CG2 3.79Å; V843-T864 WeakPolarHBondContact CA-O 3.27Å; F844-T864 PolarHBondContact N-O 3.3Å; F844-T864 PolarHBondContact O-N 3.39Å; T864-V866 HydrophobicContact CG2-CG1 4.18Å
865	A	92.9	Very high	87.6	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	132.6	176.8	0	0	0	0	0	111.4	A793 V794 V796 T835 R840 A842 V843	A793-A865 WeakPolarHBondContact CA-O 3.42Å; V794-A865 PolarHBondContact N-O 2.95Å; V794-A865 WeakPolarHBondContact O-CB 3.38Å; V794-A865 PolarHBondContact O-N 3Å; V796-A865 HydrophobicContact CB-CB 4.37Å; V796-A865 HydrophobicContact CG1-CB 3.59Å; V796-A865 HydrophobicContact CG2-CB 3.85Å; T835-A865 HydrophobicContact CG2-CB 4Å; R840-A865 HydrophobicContact CB-CB 4.09Å; R840-A865 HydrophobicContact CG-CB 4.07Å; A842-A865 CarbonylContact O-C 3.51Å; A842-A865 VanDerWaalsContact O-CA 3.25Å; A842-A865 WeakPolarHBondContact O-CA 3.34Å; V843-A865 HydrophobicContact CG2-CB 4.38Å
866	V	91.3	Very high	86.2	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.006	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	162.3	-178.2	-52.7	0	0	0	0	111	L791 A793 R840 N841 A842 F844 T864 L868	L791-V866 HydrophobicContact CB-CB 4.22Å; L791-V866 HydrophobicContact CB-CG1 4.08Å; L791-V866 HydrophobicContact CD1-CB 4.36Å; L791-V866 HydrophobicContact CD1-CG1 4.23Å; L791-V866 HydrophobicContact CD1-CG2 4.2Å; L791-V866 HydrophobicContact CD2-CB 4.12Å; L791-V866 HydrophobicContact CD2-CG2 4.13Å; L791-V866 HydrophobicContact CG-CB 4.45Å; A793-V866 HydrophobicContact CB-CG1 3.82Å; R840-V866 WeakPolarHBondContact CB-O 3.36Å; N841-V866 PolarHBondContact N-O 3.22Å; A842-V866 HydrophobicContact CB-CG2 3.77Å; A842-V866 PolarHBondContact N-O 3.44Å; A842-V866 PolarHBondContact O-N 2.95Å; F844-V866 HydrophobicContact CD2-CG2 3.74Å; F844-V866 HydrophobicContact CE2-CG2 3.73Å; T864-V866 HydrophobicContact CG2-CG1 4.18Å; V866-L868 HydrophobicContact CG2-CD2 4.33Å; V866-L868 HydrophobicContact CG2-CG 4.35Å
867	L	89.2	Confident	84.4	Confident	69 Å²	69	46.6 Å²	46.6	36%	0.361	26%	0.262	S	S	.	.			trans	-103.4	114	174.9	-179.8	63.1	0	0	0	109.6	P874	L867-P874 HydrophobicContact CD1-CG 4.48Å
868	L	87.9	Confident	82.3	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.005	30%	0.296	C	S	.	.			trans	-96.8	127.1	172.5	-64.2	-179.7	0	0	0	109.8	F747 I777 L787 L791 N841 A842 F844 V866 S870 L871	F747-L868 HydrophobicContact CD1-CD1 3.96Å; F747-L868 HydrophobicContact CD2-CD1 4.43Å; F747-L868 HydrophobicContact CE1-CD1 3.46Å; F747-L868 VanDerWaalsContact CE1-CD1 3.46Å; F747-L868 HydrophobicContact CE2-CD1 3.98Å; F747-L868 HydrophobicContact CG-CD1 4.41Å; F747-L868 HydrophobicContact CZ-CD1 3.47Å; F747-L868 VanDerWaalsContact CZ-CD1 3.47Å; F747-L868 HydrophobicContact CZ-CD2 4.32Å; I777-L868 HydrophobicContact CG2-CD1 4.06Å; L787-L868 HydrophobicContact CD1-CD2 4.15Å; L787-L868 HydrophobicContact CD2-CD2 4.48Å; L791-L868 HydrophobicContact CD2-CD2 3.89Å; N841-L868 PolarHBondContact ND2-O 2.86Å; N841-L868 PolarHBondContact OD1-N 3.32Å; N841-L868 PolarHBondContact OD1-O 3.4Å; A842-L868 HydrophobicContact CB-CD1 3.56Å; A842-L868 HydrophobicContact CB-CG 3.72Å; F844-L868 HydrophobicContact CE2-CD1 4.18Å; F844-L868 HydrophobicContact CZ-CD1 4.25Å; V866-L868 HydrophobicContact CG2-CD2 4.33Å; V866-L868 HydrophobicContact CG2-CG 4.35Å; L868-S870 VanDerWaalsContact C-N 3.26Å; L868-S870 PolarHBondContact O-N 3.13Å; L868-L871 HydrophobicContact CB-CD1 4.27Å; L868-L871 HydrophobicContact CB-CG 4.11Å; L868-L871 HydrophobicContact CD1-CD1 3.89Å; L868-L871 HydrophobicContact CD1-CG 4.26Å; L868-L871 PolarHBondContact O-N 3.43Å
869	P	82.7	Confident	79.6	Confident	91 Å²	91	54.4 Å²	54.4	59%	0.591	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-12.6	-178.8	30.9	-35.9	0	0	0	113.8
870	S	83.6	Confident	76.8	Confident	4 Å²	4	61.2 Å²	61.2	3%	0.028	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-33.7	175.1	46.4	0	0	0	0	113.3	F747 C766 L868	F747-S870 VanDerWaalsContact CD2-OG 3.3Å; F747-S870 WeakPolarHBondContact CD2-OG 3.5Å; C766-S870 PolarHBondContact N-O 3.02Å; C766-S870 VanDerWaalsContact N-O 3.15Å; L868-S870 VanDerWaalsContact C-N 3.26Å; L868-S870 PolarHBondContact O-N 3.13Å
871	L	86.4	Confident	73.8	Confident	2 Å²	2	64.4 Å²	64.4	1%	0.01	37%	0.371	C	S	.	.	S	Bend	trans	-85	166.9	-177.3	-58.8	-172.8	0	0	0	111.9	F747 V773 P774 I777 N841 A842 L868 S873	F747-L871 HydrophobicContact CB-CD2 3.79Å; F747-L871 HydrophobicContact CG-CD2 4.32Å; V773-L871 HydrophobicContact CB-CD2 3.84Å; V773-L871 HydrophobicContact CG1-CD2 4.42Å; V773-L871 HydrophobicContact CG2-CD2 4.31Å; P774-L871 HydrophobicContact CG-CD2 4Å; I777-L871 HydrophobicContact CB-CD1 4.06Å; I777-L871 HydrophobicContact CG2-CD1 3.69Å; N841-L871 WeakPolarHBondContact ND2-CB 3.45Å; N841-L871 WeakPolarHBondContact O-CD1 3.42Å; A842-L871 HydrophobicContact CB-CD1 4.42Å; L868-L871 HydrophobicContact CB-CD1 4.27Å; L868-L871 HydrophobicContact CB-CG 4.11Å; L868-L871 HydrophobicContact CD1-CD1 3.89Å; L868-L871 HydrophobicContact CD1-CG 4.26Å; L868-L871 PolarHBondContact O-N 3.43Å; L871-S873 PolarHBondContact O-N 3.49Å
872	V	84.2	Confident	70.7	Confident	41 Å²	41	69.8 Å²	69.8	25%	0.248	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-58.4	136.5	177.1	-173.9	0	0	0	0	110.4	V773 E775 N841	V773-V872 HydrophobicContact CG2-CG2 4.37Å; E775-V872 HydrophobicContact CG-CB 4.42Å; E775-V872 HydrophobicContact CG-CG2 4.16Å; N841-V872 PolarHBondContact ND2-O 3.19Å
873	S	79.4	Confident	67.9	Low	87 Å²	87	74.3 Å²	74.3	61%	0.608	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-75.6	127.7	-179.7	-166.3	0	0	0	0	111	L871	L871-S873 PolarHBondContact O-N 3.49Å
874	P	77.5	Confident	64.7	Low	21 Å²	21	83.5 Å²	83.5	14%	0.136	48%	0.478	C	S	.	.	P	Polyproline II helix	trans	-72.1	132.9	-175	28.5	-33.4	0	0	0	111.6	G839 L867 R876	G839-P874 VanDerWaalsContact C-CG 3.42Å; L867-P874 HydrophobicContact CD1-CG 4.48Å; P874-R876 PolarHBondContact O-N 3.1Å
875	V	68.6	Low	61.6	Low	131 Å²	131	83.3 Å²	83.3	79%	0.794	49%	0.488	S	S	*	.			trans	-68	106.2	-179.5	-178.1	0	0	0	0	110	T877	V875-T877 PolarHBondContact O-N 3.34Å; V875-T877 VanDerWaalsContact O-N 3.07Å
876	R	56.7	Low	58.5	Low	187 Å²	187	88.7 Å²	88.7	71%	0.706	53%	0.525	S	S	*	.			trans	-69.3	102.2	176.7	-71.3	-174.2	175.7	-167.4	-2.6	111.2	P874 I878	P874-R876 PolarHBondContact O-N 3.1Å; R876-I878 PolarHBondContact O-N 3.35Å; R876-I878 VanDerWaalsContact O-N 3.12Å
877	T	48.7	Very low	55.6	Low	115 Å²	115	95.3 Å²	95.3	71%	0.706	57%	0.566	S	S	*	*			trans	-67	102.8	159.6	34.4	0	0	0	0	109.2	V875 P879	V875-T877 PolarHBondContact O-N 3.34Å; V875-T877 VanDerWaalsContact O-N 3.07Å; T877-P879 WeakPolarHBondContact O-CD 3.41Å
878	I	44.2	Very low	52.7	Low	147 Å²	147	98.4 Å²	98.4	75%	0.754	59%	0.587	S	S	*	*			trans	-63.8	122.5	177	-57.2	174.8	0	0	0	108.3	R876 V880	R876-I878 PolarHBondContact O-N 3.35Å; R876-I878 VanDerWaalsContact O-N 3.12Å; I878-V880 PolarHBondContact O-N 3.28Å
879	P	36.4	Very low	50.1	Low	99 Å²	99	106 Å²	106	64%	0.643	63%	0.627	S	S	*	*			trans	-67.6	129.8	172.9	28.4	-33	0	0	0	109	T877 T881	T877-P879 WeakPolarHBondContact O-CD 3.41Å; P879-T881 VanDerWaalsContact C-N 3.31Å; P879-T881 PolarHBondContact O-N 3.17Å
880	V	32.6	Very low	47.7	Very low	147 Å²	147	107.1 Å²	107.1	89%	0.891	63%	0.632	S	S	*	*			trans	-71.5	89.5	174.8	-178.3	0	0	0	0	108.5	I878	I878-V880 PolarHBondContact O-N 3.28Å
881	T	31.8	Very low	45.1	Very low	114 Å²	114	116.5 Å²	116.5	70%	0.699	68%	0.676	S	S	*	*			trans	-67.3	131.7	169.7	39	0	0	0	0	109.6	P879 V883	P879-T881 VanDerWaalsContact C-N 3.31Å; P879-T881 PolarHBondContact O-N 3.17Å; T881-V883 PolarHBondContact O-N 3.49Å; T881-V883 VanDerWaalsContact O-N 3.08Å
882	S	28.7	Very low	42.5	Very low	114 Å²	114	125.1 Å²	125.1	80%	0.797	71%	0.713	S	S	*	*			trans	-67.2	105.3	-179.4	50.2	0	0	0	0	111	E884	S882-E884 PolarHBondContact O-N 3.47Å
883	V	35.5	Very low	40.1	Very low	127 Å²	127	130.8 Å²	130.8	77%	0.77	74%	0.737	S	S	*	*			trans	-77.9	108.3	163.9	178.6	0	0	0	0	108	T881 G885	T881-V883 PolarHBondContact O-N 3.49Å; T881-V883 VanDerWaalsContact O-N 3.08Å; V883-G885 PolarHBondContact O-N 2.98Å; V883-G885 VanDerWaalsContact O-N 3.12Å
884	E	28.1	Very low	37.9	Very low	197 Å²	197	135.2 Å²	135.2	92%	0.921	75%	0.748	S	S	*	*			trans	-68.5	102.2	164.3	-65.5	-172.8	138.1	0	0	108.5	S882	S882-E884 PolarHBondContact O-N 3.47Å
885	G	27.6	Very low	35.7	Very low	55 Å²	55	139.3 Å²	139.3	57%	0.567	78%	0.777	S	S	*	*			trans	159	89.4	177.6	0	0	0	0	0	116.3	V883	V883-G885 PolarHBondContact O-N 2.98Å; V883-G885 VanDerWaalsContact O-N 3.12Å
886	S	27.6	Very low	34	Very low	113 Å²	113	136.5 Å²	136.5	79%	0.79	77%	0.768	S	S	*	*			trans	75.6	145.6	149.3	-56.4	0	0	0	0	120.7
887	T	29.6	Very low	32.7	Very low	140 Å²	140	131.2 Å²	131.2	86%	0.859	76%	0.76	S	S	*	*			trans	59.1	100.6	165.2	42.7	0	0	0	0	118.2
888	V	28.8	Very low	32	Very low	134 Å²	134	133.8 Å²	133.8	81%	0.812	76%	0.761	S	S	*	*			trans	-70.1	127.4	168.3	176.1	0	0	0	0	111
889	L	32.7	Very low	31.4	Very low	160 Å²	160	135.1 Å²	135.1	84%	0.838	76%	0.764	S	S	*	*			trans	-123.5	144	151.9	-75.3	174.4	0	0	0	109
890	T	33.4	Very low	31.2	Very low	114 Å²	114	137.6 Å²	137.6	70%	0.699	77%	0.767	S	S	*	*			trans	-80.6	149.9	-161.4	47.3	0	0	0	0	114.4	K892	T890-K892 VanDerWaalsContact C-N 3.29Å; T890-K892 PolarHBondContact O-N 3.27Å
891	Q	28.2	Very low	31.2	Very low	202 Å²	202	137.8 Å²	137.8	94%	0.944	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	70.3	-179.1	-63.9	176.6	-45.2	0	0	113.9
892	K	33	Very low	31	Very low	182 Å²	182	137.8 Å²	137.8	79%	0.791	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.8	-2.3	176.8	-123.8	178.4	-177.4	-179.5	0	117	T890	T890-K892 VanDerWaalsContact C-N 3.29Å; T890-K892 PolarHBondContact O-N 3.27Å
893	E	32.6	Very low	31	Very low	161 Å²	161	136 Å²	136	75%	0.752	75%	0.751	S	S	*	*	S	Bend	trans	-112.1	-18	-175.2	-63.2	-176.6	135.7	0	0	114.1	S895 A896	E893-S895 VanDerWaalsContact C-N 3.26Å; E893-S895 PolarHBondContact O-N 2.97Å; E893-A896 PolarHBondContact O-N 2.68Å
894	Q	33.9	Very low	30.6	Very low	179 Å²	179	135 Å²	135	84%	0.836	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	-10.5	-179.9	-70.8	-178.9	-16.8	0	0	114.4	A896	Q894-A896 VanDerWaalsContact C-N 3.34Å
895	S	31.1	Very low	30.6	Very low	107 Å²	107	131.9 Å²	131.9	75%	0.748	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	-11.7	176.3	-49.8	0	0	0	0	113.9	E893	E893-S895 VanDerWaalsContact C-N 3.26Å; E893-S895 PolarHBondContact O-N 2.97Å
896	A	31.9	Very low	30.6	Very low	72 Å²	72	137.3 Å²	137.3	60%	0.595	75%	0.754	S	S	*	*	S	Bend	trans	-92.5	-21.1	-170	0	0	0	0	0	114.7	E893 Q894	E893-A896 PolarHBondContact O-N 2.68Å; Q894-A896 VanDerWaalsContact C-N 3.34Å
897	S	29.9	Very low	30.4	Very low	77 Å²	77	140.8 Å²	140.8	54%	0.538	76%	0.755	S	S	.	*	S	Bend	trans	-83.7	-23.1	-172.5	50.7	0	0	0	0	114.5
898	F	34	Very low	30.2	Very low	169 Å²	169	140 Å²	140	74%	0.741	75%	0.75	S	S	*	*	G	3₁₀ helix	trans	-81.8	-20.3	-173.5	-136	-95.7	0	0	0	114.3	Q900	F898-Q900 VanDerWaalsContact C-N 3.3Å; F898-Q900 PolarHBondContact O-N 3.17Å
899	Q	32.6	Very low	30	Very low	175 Å²	175	142.4 Å²	142.4	82%	0.818	75%	0.752	S	S	*	*	G	3₁₀ helix	trans	-80.2	-6	175.6	-77.6	-171.6	-28.5	0	0	113.9
900	Q	31.9	Very low	29.6	Very low	150 Å²	150	141.7 Å²	141.7	70%	0.701	76%	0.755	S	S	*	*	G	3₁₀ helix	trans	-96.8	-4.1	-173.1	-121.2	178.3	0.2	0	0	115.2	F898	F898-Q900 VanDerWaalsContact C-N 3.3Å; F898-Q900 PolarHBondContact O-N 3.17Å
901	Q	31.4	Very low	29.3	Very low	152 Å²	152	142 Å²	142	71%	0.71	76%	0.762	S	S	*	*	S	Bend	trans	-100.1	-21.6	179.2	-69.3	-172.9	-19.7	0	0	113.9	S903	Q901-S903 VanDerWaalsContact C-N 3.25Å; Q901-S903 PolarHBondContact O-N 2.72Å
902	S	29.3	Very low	29.3	Very low	114 Å²	114	139.5 Å²	139.5	80%	0.797	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-0	-179.7	-50.8	0	0	0	0	115
903	S	27.3	Very low	29	Very low	77 Å²	77	136.5 Å²	136.5	54%	0.538	76%	0.762	S	S	.	*	T	Hydrogen-bonded Turn	trans	-105.6	-0.6	-176	53.2	0	0	0	0	115.1	Q901	Q901-S903 VanDerWaalsContact C-N 3.25Å; Q901-S903 PolarHBondContact O-N 2.72Å
904	T	27.7	Very low	28.8	Very low	105 Å²	105	132.2 Å²	132.2	64%	0.644	76%	0.761	S	S	*	*	S	Bend	trans	-112.5	1.1	-162.5	-40.2	0	0	0	0	114
905	V	27.9	Very low	28.5	Very low	132 Å²	132	133.6 Å²	133.6	80%	0.8	77%	0.767	S	S	*	*	S	Bend	trans	-105	-4.5	178.9	-174.8	0	0	0	0	112.5
906	L	27.1	Very low	28.4	Very low	168 Å²	168	131.9 Å²	131.9	88%	0.88	77%	0.766	S	S	*	*	S	Bend	trans	-115.7	38.4	-173.9	-112.1	154.2	0	0	0	113.3
907	K	24.1	Very low	28.3	Very low	187 Å²	187	134.4 Å²	134.4	81%	0.813	78%	0.775	S	S	*	*			trans	-142.2	55.3	174.1	-73.8	-164.4	175.5	-177.6	0	113.3
908	T	25.3	Very low	28.2	Very low	122 Å²	122	137.9 Å²	137.9	75%	0.748	79%	0.788	S	S	*	*	S	Bend	trans	-133.4	38.2	177.5	-23.5	0	0	0	0	113.3
909	Q	25.2	Very low	27.9	Very low	185 Å²	185	134.2 Å²	134.2	86%	0.864	79%	0.788	S	S	*	*	S	Bend	trans	-159.2	161.7	161.1	-108.6	155.8	72	0	0	109.9
910	T	24.3	Very low	27.7	Very low	145 Å²	145	136.2 Å²	136.2	89%	0.89	79%	0.794	S	S	*	*			trans	59.3	81.9	-178.4	65.3	0	0	0	0	118.6
911	S	26.4	Very low	27.5	Very low	121 Å²	121	133.5 Å²	133.5	85%	0.846	80%	0.798	S	S	*	*			trans	-153.6	100.5	138.2	64.6	0	0	0	0	112.4
912	V	29	Very low	27.2	Very low	149 Å²	149	131.6 Å²	131.6	90%	0.903	80%	0.801	S	S	*	*			trans	-105.5	144.7	152.9	177.4	0	0	0	0	106.6
913	S	27.2	Very low	27.2	Very low	119 Å²	119	136.2 Å²	136.2	83%	0.832	81%	0.806	S	S	*	*			trans	-75.5	148	-162.7	50.4	0	0	0	0	115.9
914	G	27.7	Very low	27.1	Very low	71 Å²	71	140.2 Å²	140.2	73%	0.732	81%	0.814	S	S	*	*			trans	175.6	76	167.3	0	0	0	0	0	117.7
915	E	26.6	Very low	27.2	Very low	208 Å²	208	140.6 Å²	140.6	97%	0.972	82%	0.819	S	S	*	*			trans	56.1	173.1	149.3	-52.2	-171.1	135.8	0	0	120.8
916	G	29.7	Very low	27	Very low	71 Å²	71	140.9 Å²	140.9	73%	0.732	81%	0.811	S	S	*	*			trans	129.8	28.6	162.7	0	0	0	0	0	123
917	T	30.2	Very low	26.8	Very low	126 Å²	126	138.7 Å²	138.7	77%	0.773	81%	0.809	S	S	*	*			trans	16.7	133.6	157.7	57.7	0	0	0	0	124.2
918	N	27.6	Very low	26.9	Very low	150 Å²	150	134.6 Å²	134.6	80%	0.802	80%	0.803	S	S	*	*			trans	78.2	95.5	134.8	-69.4	-21.1	0	0	0	124.6
919	A	28	Very low	26.9	Very low	92 Å²	92	137.7 Å²	137.7	76%	0.76	82%	0.815	S	S	*	*				83.5	151.2	103.6	0	0	0	0	0	124.6
920	K	28.9	Very low	26.8	Very low	217 Å²	217	132.8 Å²	132.8	94%	0.943	81%	0.805	S	S	*	*			trans	84.5	153.5	169	-68.8	-176.5	177.2	176.6	0	118.2
921	A	26.8	Very low	26.8	Very low	93 Å²	93	131.8 Å²	131.8	77%	0.769	80%	0.799	S	S	*	*			trans	-151.6	174.7	-156.1	0	0	0	0	0	113.8
922	S	25.6	Very low	26.8	Very low	111 Å²	111	134.4 Å²	134.4	78%	0.776	80%	0.802	S	S	*	*			trans	109.7	112.5	154.5	76.5	0	0	0	0	118.4
923	K	28.1	Very low	26.6	Very low	211 Å²	211	134.6 Å²	134.6	92%	0.917	80%	0.796	S	S	*	*				-163.1	150.1	117.1	-102.1	166.9	-176.1	179.7	0	110.4
924	K	25.8	Very low	26.5	Very low	161 Å²	161	133 Å²	133	70%	0.7	79%	0.791	S	S	*	*			trans	-129.1	156.4	179.7	-132.5	-173.5	176.6	-165.4	0	106.9	E926	K924-E926 WeakPolarHBondContact CD-OE1 3.23Å; K924-E926 WeakPolarHBondContact CE-OE1 3.46Å; K924-E926 IonicContact NZ-OE1 2.67Å; K924-E926 PolarHBondContact NZ-OE1 3.37Å
925	P	29.4	Very low	26.4	Very low	114 Å²	114	137.8 Å²	137.8	74%	0.74	80%	0.799	S	S	*	*				-136.6	165.6	80.7	37.6	-20	0	0	0	111.5
926	E	23.2	Very low	26.4	Very low	138 Å²	138	135.9 Å²	135.9	65%	0.645	80%	0.796	S	S	*	*				55.8	120.8	58.5	-72.2	160.6	-146	0	0	111.2	K924	K924-E926 WeakPolarHBondContact CD-OE1 3.23Å; K924-E926 WeakPolarHBondContact CE-OE1 3.46Å; K924-E926 IonicContact NZ-OE1 2.67Å; K924-E926 PolarHBondContact NZ-OE1 3.37Å
927	C	23.7	Very low	26.1	Very low	122 Å²	122	141.2 Å²	141.2	82%	0.824	80%	0.801	S	S	*	*			cis	-144.2	-176.1	27.7	-108.9	0	0	0	0	110.4
928	S	25.9	Very low	26	Very low	100 Å²	100	144.3 Å²	144.3	70%	0.699	81%	0.807	S	S	*	*			cis	-163	164.8	-3.3	35.3	0	0	0	0	110.1	A930	S928-A930 PolarHBondContact O-N 3.38Å
929	L	25.2	Very low	26	Very low	188 Å²	188	145 Å²	145	98%	0.984	81%	0.81	S	S	*	*			trans	-74.9	85.5	179.4	-173.5	78.7	0	0	0	113.4
930	A	23.3	Very low	25.8	Very low	81 Å²	81	146.9 Å²	146.9	67%	0.669	81%	0.812	S	S	*	*			trans	-157.9	164.2	164.3	0	0	0	0	0	111	S928	S928-A930 PolarHBondContact O-N 3.38Å
931	T	25.1	Very low	25.6	Very low	125 Å²	125	141 Å²	141	77%	0.767	80%	0.804	S	S	*	*			trans	66.8	67.7	171.9	-43.7	0	0	0	0	116.2
932	I	26.1	Very low	25.4	Very low	176 Å²	176	143.4 Å²	143.4	90%	0.903	80%	0.803	S	S	*	*			trans	-124.7	59.9	144.7	-49.4	-178.2	0	0	0	108.5
933	I	24.8	Very low	25.6	Very low	153 Å²	153	142.8 Å²	142.8	79%	0.785	80%	0.796	S	S	*	*	S	Bend	trans	-136.6	141.9	162.6	-60.5	-179.4	0	0	0	104.7
934	A	24.6	Very low	25.4	Very low	86 Å²	86	138.8 Å²	138.8	71%	0.711	79%	0.789	S	S	*	*	S	Bend	trans	64.5	73.7	-171.2	0	0	0	0	0	115
935	N	26	Very low	25.4	Very low	170 Å²	170	138.4 Å²	138.4	91%	0.909	79%	0.794	S	S	*	*			trans	-154.8	56.4	143.5	-106.4	-17.7	0	0	0	109.3
936	N	26.3	Very low	25.3	Very low	168 Å²	168	141.9 Å²	141.9	90%	0.898	81%	0.805	S	S	*	*			trans	-106.3	54.1	-171.7	-137.3	28	0	0	0	110.5
937	E	24.1	Very low	25.4	Very low	183 Å²	183	142.1 Å²	142.1	86%	0.855	81%	0.813	S	S	*	*			trans	-148.2	34.7	-172	-141.1	164.4	-117.6	0	0	114.4
938	Q	27.8	Very low	25.5	Very low	192 Å²	192	143.1 Å²	143.1	90%	0.897	81%	0.812	S	S	*	*	S	Bend	trans	-125.4	83.4	163.3	-74.4	-161.2	-16.7	0	0	111.8	T940	Q938-T940 PolarHBondContact O-N 3.33Å
939	L	26.1	Very low	25.5	Very low	165 Å²	165	145.5 Å²	145.5	86%	0.864	82%	0.818	S	S	*	*			trans	12.9	102	152	-72.2	158.8	0	0	0	117	A941	L939-A941 VanDerWaalsContact C-N 3.26Å; L939-A941 PolarHBondContact O-N 3.09Å
940	T	24.5	Very low	25.5	Very low	131 Å²	131	143 Å²	143	80%	0.804	81%	0.809	S	S	*	*			trans	-64	86.8	154.4	47.6	0	0	0	0	109.7	Q938 L942	Q938-T940 PolarHBondContact O-N 3.33Å; T940-L942 PolarHBondContact O-N 3.1Å
941	A	24	Very low	25.6	Very low	93 Å²	93	146.9 Å²	146.9	77%	0.769	82%	0.817	S	S	*	*			trans	-74.7	69.9	178.4	0	0	0	0	0	111.8	L939 P943	L939-A941 VanDerWaalsContact C-N 3.26Å; L939-A941 PolarHBondContact O-N 3.09Å; A941-P943 VanDerWaalsContact O-CD 3.27Å; A941-P943 WeakPolarHBondContact O-CD 3.3Å
942	L	24	Very low	25.6	Very low	143 Å²	143	148.3 Å²	148.3	75%	0.749	82%	0.821	S	S	*	*			trans	-86.3	111.4	163.4	-79.2	165.9	0	0	0	109.1	T940 V944	T940-L942 PolarHBondContact O-N 3.1Å; L942-V944 WeakPolarHBondContact O-CG2 3.35Å
943	P	29.7	Very low	25.6	Very low	98 Å²	98	146.4 Å²	146.4	64%	0.636	82%	0.815	S	S	*	*			trans	-68.5	126.1	147.2	30.8	-29.9	0	0	0	106.8	A941 I945	A941-P943 VanDerWaalsContact O-CD 3.27Å; A941-P943 WeakPolarHBondContact O-CD 3.3Å; P943-I945 HydrophobicContact CB-CG1 4.29Å
944	V	24	Very low	25.7	Very low	127 Å²	127	145.8 Å²	145.8	77%	0.77	82%	0.817	S	S	*	*			cis	50.9	76.8	31	-170	0	0	0	0	110.4	L942	L942-V944 WeakPolarHBondContact O-CG2 3.35Å
945	I	26.4	Very low	25.7	Very low	154 Å²	154	150.8 Å²	150.8	79%	0.79	83%	0.826	S	S	*	*			trans	-119.4	109.4	156.4	-64	-176.9	0	0	0	105.8	P943	P943-I945 HydrophobicContact CB-CG1 4.29Å
946	L	26	Very low	25.7	Very low	186 Å²	186	149.1 Å²	149.1	97%	0.974	82%	0.819	S	S	*	*			trans	-75.8	0	150.9	-76.1	153.6	0	0	0	107.9

Retrieved 946 of 946 residues in 551.2 ms (Link to these results)

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