A0A077Z6N5_TRITR Loading...

Zinc finger protein 236

AlphaFold DB , UniProt , Accession A0A077Z6N5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 840 aa.

						>A0A077Z6N5_TRITR|A0A077Z6N5
MKLSVNQNERQQIIEALNIVNGAPTVPGKCMSNQSASISEMGSTENQSLVKKAASNFNGENRYRCRVCGKFPSRLPPTKEDMKSYVCEICEPKLIRGGVASGQATNQFPCLINGSRFGEFGLSSVGPPEASSSGQVVEGLNNKKEKSLVCCNCDKQFGKAYDLRRHMRTHTGEKPYACSYCDRRFALRSTLKRHCGTHIAEKSYRCRVCFKGLSCASTLRAHMRIHNNESYECPRCSHRFRKKNRFTAHLHGRPNCALKGKKRTTTLAAQSNDDEKAKNPLVDIPLLKETGRGLVPIWKGNTSRTNEADYWLRRFVCSFCQKRFLKLSHLICHIRVHTKERPYICHFCRRRFATSSTLRDHMTSHSKKRDFRCNICAKSFVLQRSLNRHMSIHSNEAPYVCPICYKRFKRREQCRLHVNVHSTELPATTLTNGEDVVSTMTNDADQSSASVDAPILTNDGQRTVVDANFVPNCYQNSIYGPVYVNGTYPMAENENECSSSQYHQAKNVSLRYGFADQPENDHFINEASLFPANFKSIDNMTLSGVQLINATELYLCYGCAMTFSHHVDLVKHLLDNDLSVEHFNLILYSIRDYSCHLCIHLSPFGLYEDYANHMELFHALRFRRQCPSCFTDFTDGFELSRHIAQEHVFRTWLFLANGEETTPNMDEVAASGFLTSSTSCLVDENSEEQSEMIDDSISAILAAIQSSNEPAMLPAIPNVSLPTLEYSNEQNGIVQAVPTASECHKGAAPSYRTQGEQLTVIGDQSKDDQYCAGNDCEMERVNVYLCSTCGKEFLRRDSLARHRKNHTNPRSNCCEFCQKLFGRKDTLLKHKRSKHAVQMT
					

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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	31.3	Very low	51.2	Low	239 Å²	239	142.6 Å²	142.6	100%	1.177	71%	0.709	S	S	*	*				0	145.1	0	-68	169.4	174	0	0	109.8
2	K	32.6	Very low	52.3	Low	217 Å²	217	141.5 Å²	141.5	94%	0.943	70%	0.7	S	S	*	*			trans	-89.1	102.7	172.8	-70.4	176.3	-178	170.5	0	109.3
3	L	37.7	Very low	52.7	Low	161 Å²	161	138.5 Å²	138.5	84%	0.843	69%	0.686	S	S	*	*			trans	-99.4	111.7	167.6	-79.2	169.8	0	0	0	109.6	V5	L3-V5 PolarHBondContact O-N 3.46Å; L3-V5 VanDerWaalsContact O-N 3.14Å
4	S	39.5	Very low	53.4	Low	118 Å²	118	135.3 Å²	135.3	83%	0.825	67%	0.672	S	S	*	*			trans	-77.3	90.8	176.8	51.2	0	0	0	0	110.5	N6	S4-N6 PolarHBondContact O-N 3.15Å
5	V	43.1	Very low	54.1	Low	101 Å²	101	134.9 Å²	134.9	61%	0.612	67%	0.667	S	S	*	*			trans	-54.4	128.9	170.3	179.3	0	0	0	0	109.2	L3 E9	L3-V5 PolarHBondContact O-N 3.46Å; L3-V5 VanDerWaalsContact O-N 3.14Å; V5-E9 HydrophobicContact CG1-CB 4.36Å
6	N	53.7	Low	54	Low	91 Å²	91	130.1 Å²	130.1	49%	0.487	66%	0.656	S	S	.	*			trans	-71.8	144.3	-168.5	-165.5	-21	0	0	0	110.6	S4 N8 E9 R10	S4-N6 PolarHBondContact O-N 3.15Å; N6-N8 PolarHBondContact O-N 3.39Å; N6-E9 HydrophobicContact CB-CG 4.09Å; N6-E9 WeakPolarHBondContact CB-OE2 3.43Å; N6-E9 PolarHBondContact N-OE2 2.86Å; N6-E9 PolarHBondContact O-N 3.23Å; N6-E9 VanDerWaalsContact O-N 3.16Å; N6-R10 PolarHBondContact O-N 2.81Å
7	Q	66.1	Low	53.5	Low	152 Å²	152	128.8 Å²	128.8	71%	0.71	65%	0.65	S	S	*	*	H	α-helix	trans	-59.8	-36	180	-73.9	-173.5	-13.7	0	0	111.7	E9 R10 Q11	Q7-E9 PolarHBondContact O-N 2.93Å; Q7-R10 WeakPolarHBondContact O-CB 3.21Å; Q7-R10 PolarHBondContact O-N 3.5Å; Q7-Q11 PolarHBondContact O-N 3.4Å; Q7-Q11 PolarHBondContact O-OE1 2.96Å
8	N	63.4	Low	53.1	Low	101 Å²	101	127.7 Å²	127.7	54%	0.54	65%	0.646	S	S	.	*	H	α-helix	trans	-60.2	-43.2	175.4	-77.2	-13	0	0	0	112.9	N6 R10 Q11 Q12	N6-N8 PolarHBondContact O-N 3.39Å; N8-R10 VanDerWaalsContact C-N 3.3Å; N8-R10 PolarHBondContact O-N 3.37Å; N8-Q11 PolarHBondContact O-N 3.2Å; N8-Q12 WeakPolarHBondContact O-CG 3.1Å; N8-Q12 PolarHBondContact O-N 3.22Å
9	E	60.1	Low	52.8	Low	98 Å²	98	128.5 Å²	128.5	46%	0.458	65%	0.651	S	S	.	*	H	α-helix	trans	-62.9	-41	177	-63.3	171.4	125.7	0	0	110.6	V5 N6 Q7 Q11 Q12 I13	V5-E9 HydrophobicContact CG1-CB 4.36Å; N6-E9 HydrophobicContact CB-CG 4.09Å; N6-E9 WeakPolarHBondContact CB-OE2 3.43Å; N6-E9 PolarHBondContact N-OE2 2.86Å; N6-E9 PolarHBondContact O-N 3.23Å; N6-E9 VanDerWaalsContact O-N 3.16Å; Q7-E9 PolarHBondContact O-N 2.93Å; E9-Q11 VanDerWaalsContact C-N 3.33Å; E9-Q11 PolarHBondContact O-N 2.85Å; E9-Q12 PolarHBondContact O-N 3Å; E9-I13 WeakPolarHBondContact O-CB 3.17Å; E9-I13 WeakPolarHBondContact O-CD1 3.19Å; E9-I13 VanDerWaalsContact O-CG1 3.26Å; E9-I13 WeakPolarHBondContact O-CG1 3.23Å; E9-I13 PolarHBondContact O-N 3.07Å
10	R	64.6	Low	52.3	Low	179 Å²	179	128.2 Å²	128.2	68%	0.675	66%	0.656	S	S	*	*	H	α-helix	trans	-60.7	-39.7	174.4	-112.8	-177.1	178.6	-169.1	2	112.6	N6 Q7 N8 I14	N6-R10 PolarHBondContact O-N 2.81Å; Q7-R10 WeakPolarHBondContact O-CB 3.21Å; Q7-R10 PolarHBondContact O-N 3.5Å; N8-R10 VanDerWaalsContact C-N 3.3Å; N8-R10 PolarHBondContact O-N 3.37Å; R10-I14 WeakPolarHBondContact O-CD1 3.46Å; R10-I14 VanDerWaalsContact O-CG1 3.27Å; R10-I14 WeakPolarHBondContact O-CG1 3.17Å; R10-I14 PolarHBondContact O-N 3.06Å
11	Q	70.5	Confident	51.7	Low	112 Å²	112	128.1 Å²	128.1	52%	0.523	66%	0.656	S	S	.	*	H	α-helix	trans	-73.5	-42.3	178.4	-76.9	168.4	-93.2	0	0	112.1	Q7 N8 E9 I13 I14 E15	Q7-Q11 PolarHBondContact O-N 3.4Å; Q7-Q11 PolarHBondContact O-OE1 2.96Å; N8-Q11 PolarHBondContact O-N 3.2Å; E9-Q11 VanDerWaalsContact C-N 3.33Å; E9-Q11 PolarHBondContact O-N 2.85Å; Q11-I13 VanDerWaalsContact C-N 3.31Å; Q11-I13 PolarHBondContact O-N 2.94Å; Q11-I14 WeakPolarHBondContact O-CA 3.32Å; Q11-I14 WeakPolarHBondContact O-CB 3.39Å; Q11-I14 PolarHBondContact O-N 3.35Å; Q11-E15 PolarHBondContact O-N 2.76Å
12	Q	64.6	Low	51.7	Low	129 Å²	129	120.1 Å²	120.1	60%	0.603	64%	0.635	S	S	*	*	H	α-helix	trans	-59.8	-40.3	175.2	-71.3	174.6	6.8	0	0	112.1	N8 E9 I14 E15 A16	N8-Q12 WeakPolarHBondContact O-CG 3.1Å; N8-Q12 PolarHBondContact O-N 3.22Å; E9-Q12 PolarHBondContact O-N 3Å; Q12-I14 VanDerWaalsContact C-N 3.33Å; Q12-I14 PolarHBondContact O-N 3.01Å; Q12-E15 PolarHBondContact O-N 3.27Å; Q12-A16 WeakPolarHBondContact O-CB 3.23Å; Q12-A16 PolarHBondContact O-N 3.11Å
13	I	57.4	Low	51.7	Low	102 Å²	102	113.6 Å²	113.6	52%	0.523	62%	0.622	S	S	.	*	H	α-helix	trans	-64.2	-37.1	174	-69	166.2	0	0	0	111.6	E9 Q11 L17	E9-I13 WeakPolarHBondContact O-CB 3.17Å; E9-I13 WeakPolarHBondContact O-CD1 3.19Å; E9-I13 VanDerWaalsContact O-CG1 3.26Å; E9-I13 WeakPolarHBondContact O-CG1 3.23Å; E9-I13 PolarHBondContact O-N 3.07Å; Q11-I13 VanDerWaalsContact C-N 3.31Å; Q11-I13 PolarHBondContact O-N 2.94Å; I13-L17 HydrophobicContact CG2-CD1 4.04Å; I13-L17 WeakPolarHBondContact O-CB 3.4Å; I13-L17 WeakPolarHBondContact O-CD1 3.36Å; I13-L17 VanDerWaalsContact O-CG 3.25Å; I13-L17 WeakPolarHBondContact O-CG 3.25Å; I13-L17 PolarHBondContact O-N 3.42Å; I13-L17 VanDerWaalsContact O-N 3.1Å
14	I	63.4	Low	51.5	Low	94 Å²	94	111.9 Å²	111.9	48%	0.482	62%	0.621	S	S	.	*	H	α-helix	trans	-68.4	-41.9	176.6	-71.7	165.3	0	0	0	111.2	R10 Q11 Q12 L17 N18	R10-I14 WeakPolarHBondContact O-CD1 3.46Å; R10-I14 VanDerWaalsContact O-CG1 3.27Å; R10-I14 WeakPolarHBondContact O-CG1 3.17Å; R10-I14 PolarHBondContact O-N 3.06Å; Q11-I14 WeakPolarHBondContact O-CA 3.32Å; Q11-I14 WeakPolarHBondContact O-CB 3.39Å; Q11-I14 PolarHBondContact O-N 3.35Å; Q12-I14 VanDerWaalsContact C-N 3.33Å; Q12-I14 PolarHBondContact O-N 3.01Å; I14-L17 PolarHBondContact O-N 2.82Å; I14-N18 PolarHBondContact O-N 3.49Å; I14-N18 PolarHBondContact O-ND2 3.16Å
15	E	63.9	Low	51.2	Low	130 Å²	130	112.7 Å²	112.7	61%	0.607	62%	0.621	S	S	*	*	H	α-helix	trans	-66	-44.5	176.7	-69.3	-170.9	129.5	0	0	112	Q11 Q12 L17 N18 I19	Q11-E15 PolarHBondContact O-N 2.76Å; Q12-E15 PolarHBondContact O-N 3.27Å; E15-L17 VanDerWaalsContact C-N 3.28Å; E15-L17 PolarHBondContact O-N 3.27Å; E15-N18 PolarHBondContact O-N 2.95Å; E15-I19 WeakPolarHBondContact O-CG1 3.37Å; E15-I19 PolarHBondContact O-N 3.46Å; E15-I19 VanDerWaalsContact O-N 3.08Å
16	A	51.5	Low	50.8	Low	58 Å²	58	114.2 Å²	114.2	48%	0.479	63%	0.63	S	S	.	*	H	α-helix	trans	-57.2	-40.1	174.3	0	0	0	0	0	112.5	Q12	Q12-A16 WeakPolarHBondContact O-CB 3.23Å; Q12-A16 PolarHBondContact O-N 3.11Å
17	L	46.5	Very low	49.8	Very low	108 Å²	108	115.6 Å²	115.6	57%	0.565	64%	0.644	S	S	*	*	H	α-helix	trans	-71.2	-27.4	175.9	-73	170.1	0	0	0	113.4	I13 I14 E15 N21	I13-L17 HydrophobicContact CG2-CD1 4.04Å; I13-L17 WeakPolarHBondContact O-CB 3.4Å; I13-L17 WeakPolarHBondContact O-CD1 3.36Å; I13-L17 VanDerWaalsContact O-CG 3.25Å; I13-L17 WeakPolarHBondContact O-CG 3.25Å; I13-L17 PolarHBondContact O-N 3.42Å; I13-L17 VanDerWaalsContact O-N 3.1Å; I14-L17 PolarHBondContact O-N 2.82Å; E15-L17 VanDerWaalsContact C-N 3.28Å; E15-L17 PolarHBondContact O-N 3.27Å; L17-N21 PolarHBondContact O-ND2 3.47Å
18	N	46.3	Very low	48	Very low	108 Å²	108	112 Å²	112	58%	0.578	65%	0.647	S	S	*	*	H	α-helix	trans	-74.8	-39.6	176.3	-75.4	-33.7	0	0	0	112.3	I14 E15 V20 N21	I14-N18 PolarHBondContact O-N 3.49Å; I14-N18 PolarHBondContact O-ND2 3.16Å; E15-N18 PolarHBondContact O-N 2.95Å; N18-V20 PolarHBondContact O-N 2.61Å; N18-N21 PolarHBondContact O-N 3.5Å
19	I	46.3	Very low	46.6	Very low	143 Å²	143	117.3 Å²	117.3	73%	0.733	67%	0.665	S	S	*	*	H	α-helix	trans	-57.1	-38.2	179.6	-68.4	164.7	0	0	0	111.7	E15 N21	E15-I19 WeakPolarHBondContact O-CG1 3.37Å; E15-I19 PolarHBondContact O-N 3.46Å; E15-I19 VanDerWaalsContact O-N 3.08Å; I19-N21 PolarHBondContact O-N 2.67Å
20	V	42.5	Very low	44.8	Very low	123 Å²	123	118.2 Å²	118.2	75%	0.745	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	-14	-179.2	-179.7	0	0	0	0	113.4	N18	N18-V20 PolarHBondContact O-N 2.61Å
21	N	39.9	Very low	43.3	Very low	126 Å²	126	118.1 Å²	118.1	67%	0.674	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.6	10.1	-173.7	-75.9	-75.8	0	0	0	114.9	L17 N18 I19 A23	L17-N21 PolarHBondContact O-ND2 3.47Å; N18-N21 PolarHBondContact O-N 3.5Å; I19-N21 PolarHBondContact O-N 2.67Å; N21-A23 PolarHBondContact O-N 2.89Å
22	G	32.4	Very low	41.2	Very low	71 Å²	71	116.5 Å²	116.5	73%	0.732	69%	0.692	S	S	*	*			trans	-69	83	-178.9	0	0	0	0	0	115.2
23	A	31.3	Very low	39.5	Very low	80 Å²	80	116.6 Å²	116.6	66%	0.661	70%	0.696	S	S	*	*			trans	-90.4	126.3	170.7	0	0	0	0	0	111.6	N21 T25	N21-A23 PolarHBondContact O-N 2.89Å; A23-T25 PolarHBondContact O-N 2.85Å
24	P	35.4	Very low	38.3	Very low	126 Å²	126	119.7 Å²	119.7	82%	0.818	71%	0.709	S	S	*	*			trans	-73.1	112.6	-174.7	27.7	-34.5	0	0	0	112.8
25	T	32.7	Very low	36.6	Very low	135 Å²	135	120.4 Å²	120.4	83%	0.828	72%	0.722	S	S	*	*			trans	-89.7	111.7	171.1	51	0	0	0	0	111.1	A23	A23-T25 PolarHBondContact O-N 2.85Å
26	V	34	Very low	35	Very low	133 Å²	133	118.7 Å²	118.7	81%	0.806	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-98	120.5	172.1	-176.5	0	0	0	0	109.6
27	P	33.2	Very low	34	Very low	120 Å²	120	120.6 Å²	120.6	78%	0.779	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-75	149.1	174.8	32	-34.3	0	0	0	111.1
28	G	27.7	Very low	33.3	Very low	75 Å²	75	123.2 Å²	123.2	77%	0.773	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-100.2	158.4	-176	0	0	0	0	0	114.7
29	K	33.9	Very low	32.6	Very low	213 Å²	213	121.6 Å²	121.6	93%	0.926	75%	0.75	S	S	*	*			trans	-149.3	156.3	153.6	-112.2	172.1	-176.6	175.8	0	110.1
30	C	23	Very low	32.1	Very low	118 Å²	118	122.1 Å²	122.1	80%	0.797	75%	0.749	S	S	*	*			trans	-70.8	158.3	172.7	-57.2	0	0	0	0	110.8
31	M	32.1	Very low	31.7	Very low	176 Å²	176	125.1 Å²	125.1	87%	0.867	76%	0.758	S	S	*	*				-169.9	179.6	107.1	-85.1	-123.9	66.5	0	0	110.1
32	S	27.7	Very low	31.4	Very low	79 Å²	79	122.1 Å²	122.1	55%	0.552	76%	0.756	S	S	*	*			trans	-111.2	165.4	-172.3	50.4	0	0	0	0	112.4
33	N	29.3	Very low	31.6	Very low	130 Å²	130	123.7 Å²	123.7	70%	0.695	76%	0.756	S	S	*	*			trans	88.8	124.9	161.4	-54.9	-16.5	0	0	0	118.5
34	Q	32.4	Very low	31.8	Very low	167 Å²	167	125.5 Å²	125.5	78%	0.78	76%	0.759	S	S	*	*				54.3	98.8	126.3	-64.7	170	-35.8	0	0	120.1
35	S	26.7	Very low	31.8	Very low	110 Å²	110	125.6 Å²	125.6	77%	0.769	75%	0.748	S	S	*	*				59.6	140.3	121.7	60.7	0	0	0	0	122.1
36	A	30.9	Very low	31.9	Very low	93 Å²	93	127.4 Å²	127.4	77%	0.769	75%	0.753	S	S	*	*			trans	72.2	153.9	167.5	0	0	0	0	0	115.4
37	S	29.9	Very low	31.9	Very low	98 Å²	98	127.9 Å²	127.9	69%	0.685	75%	0.746	S	S	*	*			cis	-171.9	172.3	-25.9	-94.1	0	0	0	0	107.3
38	I	31.3	Very low	31.9	Very low	164 Å²	164	126.8 Å²	126.8	84%	0.841	74%	0.741	S	S	*	*			trans	72.9	138.5	162.9	-63.6	147.8	0	0	0	115.9
39	S	33.1	Very low	32	Very low	74 Å²	74	130.9 Å²	130.9	52%	0.517	75%	0.745	S	S	.	*			cis	-162.8	173.4	-33.1	71.2	0	0	0	0	109.7
40	E	34.4	Very low	31.9	Very low	153 Å²	153	127.1 Å²	127.1	72%	0.715	74%	0.739	S	S	*	*			trans	60	174.3	162.6	-83.7	63.6	-82.1	0	0	117.2
41	M	34.6	Very low	32.4	Very low	187 Å²	187	131.1 Å²	131.1	92%	0.921	74%	0.743	S	S	*	*			cis	-141.4	166.2	-6.5	-145.4	-179	-75.2	0	0	110.5
42	G	33.3	Very low	32.2	Very low	62 Å²	62	132.9 Å²	132.9	64%	0.639	75%	0.746	S	S	*	*			trans	134.5	108.7	161.5	0	0	0	0	0	114.9
43	S	37.4	Very low	32.3	Very low	104 Å²	104	133.6 Å²	133.6	73%	0.727	76%	0.756	S	S	*	*			trans	20.8	115.1	161.2	54.2	0	0	0	0	118.9
44	T	35.7	Very low	32.4	Very low	118 Å²	118	132.1 Å²	132.1	72%	0.724	76%	0.762	S	S	*	*				55.7	138.1	74.6	70.9	0	0	0	0	113.8
45	E	33.7	Very low	32.3	Very low	128 Å²	128	129.1 Å²	129.1	60%	0.598	76%	0.76	S	S	*	*			cis	-155.2	135.6	3.5	-132.7	150.1	179.5	0	0	112.8	Q47	E45-Q47 HydrophobicContact CG-CG 4.13Å; E45-Q47 PolarHBondContact OE1-NE2 3.44Å
46	N	34.8	Very low	32.6	Very low	173 Å²	173	130.6 Å²	130.6	93%	0.925	76%	0.759	S	S	*	*			trans	-161.7	77.8	141.6	-107.1	-43.4	0	0	0	109.8
47	Q	35.2	Very low	32.6	Very low	143 Å²	143	135.9 Å²	135.9	67%	0.668	77%	0.765	S	S	*	*			trans	-57.1	159.6	158.3	-59.1	-166.3	53.9	0	0	109.7	E45	E45-Q47 HydrophobicContact CG-CG 4.13Å; E45-Q47 PolarHBondContact OE1-NE2 3.44Å
48	S	32.5	Very low	32.6	Very low	97 Å²	97	139.7 Å²	139.7	68%	0.678	78%	0.778	S	S	*	*			cis	-165.3	150	-13.1	48.8	0	0	0	0	109.4
49	L	31	Very low	32.7	Very low	161 Å²	161	133 Å²	133	84%	0.843	75%	0.75	S	S	*	*	S	Bend	trans	-176.9	160.7	140.1	-99.9	161.8	0	0	0	108.6	K51	L49-K51 PolarHBondContact O-N 3.22Å
50	V	30.2	Very low	32.9	Very low	134 Å²	134	137.7 Å²	137.7	81%	0.812	76%	0.763	S	S	*	*			trans	58	46.1	176	-153.1	0	0	0	0	116.2
51	K	33.2	Very low	33.2	Very low	202 Å²	202	137.2 Å²	137.2	88%	0.878	77%	0.766	S	S	*	*			trans	-118.1	52	157.7	-86.5	-166.9	177.6	178.4	0	113	L49	L49-K51 PolarHBondContact O-N 3.22Å
52	K	29.9	Very low	33.9	Very low	214 Å²	214	138 Å²	138	93%	0.93	76%	0.758	S	S	*	*	S	Bend	trans	-135.4	46.3	168.6	-80.2	-168.9	174	178.7	0	112.9
53	A	29.2	Very low	34.7	Very low	93 Å²	93	141.2 Å²	141.2	77%	0.769	75%	0.752	S	S	*	*	S	Bend	trans	-152.7	27	174.7	0	0	0	0	0	113.6
54	A	30.1	Very low	35.4	Very low	99 Å²	99	142.3 Å²	142.3	82%	0.818	74%	0.74	S	S	*	*			trans	-119.1	50.4	-165	0	0	0	0	0	113.9
55	S	31.6	Very low	36.1	Very low	104 Å²	104	138.1 Å²	138.1	73%	0.727	72%	0.715	S	S	*	*	S	Bend	trans	-139.1	-16.9	174.6	55.6	0	0	0	0	115.3
56	N	32.1	Very low	37.1	Very low	141 Å²	141	144.2 Å²	144.2	75%	0.754	73%	0.733	S	S	*	*	S	Bend	trans	-134.7	52.9	-167.4	-85.3	-31.7	0	0	0	114.5
57	F	31.9	Very low	37.7	Very low	204 Å²	204	142 Å²	142	90%	0.895	73%	0.725	S	S	*	*			trans	-151.3	85.8	164.1	-102.1	-65.1	0	0	0	114.7	G59	F57-G59 PolarHBondContact O-N 3.42Å
58	N	29.3	Very low	38.8	Very low	179 Å²	179	137.7 Å²	137.7	96%	0.957	71%	0.71	S	S	*	*			trans	-68.8	92.4	167.5	-81.9	-44.4	0	0	0	110.9
59	G	34.1	Very low	39.8	Very low	24 Å²	24	134.8 Å²	134.8	25%	0.247	70%	0.696	C	S	.	*			trans	-156.2	0.6	-171.6	0	0	0	0	0	119.4	F57 N61 R62	F57-G59 PolarHBondContact O-N 3.42Å; G59-N61 PolarHBondContact O-N 3.06Å; G59-R62 PolarHBondContact O-N 2.96Å
60	E	36.9	Very low	40.8	Very low	171 Å²	171	133.2 Å²	133.2	80%	0.799	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	-13.8	-161.6	-58.1	-172.9	129.1	0	0	117.4
61	N	40.6	Very low	41.4	Very low	144 Å²	144	132.3 Å²	132.3	77%	0.77	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	-3.1	-179.6	-86.6	-56.2	0	0	0	115.2	G59	G59-N61 PolarHBondContact O-N 3.06Å
62	R	48.2	Very low	42.2	Very low	203 Å²	203	124.6 Å²	124.6	77%	0.766	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	-23	-173.5	-63.9	-174.7	-166.7	-164.1	6.2	115	G59	G59-R62 PolarHBondContact O-N 2.96Å
63	Y	51.6	Low	43.1	Very low	130 Å²	130	119.6 Å²	119.6	51%	0.51	63%	0.63	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.5	18.2	-165	-52.7	-71.2	0	0	0	115.6	F71	Y63-F71 WeakPolarHBondContact O-CD1 3.31Å
64	R	50.7	Low	44.1	Very low	126 Å²	126	125.5 Å²	125.5	48%	0.475	63%	0.633	S	S	.	*	S	Bend	trans	-106.4	136.5	176.7	-64.8	178.4	-175.2	-96.7	2.9	110.7	R66 G69 F71	R64-R66 PolarHBondContact O-N 2.92Å; R64-G69 PolarHBondContact NH1-O 3.34Å; R64-F71 HydrophobicContact CG-CE1 4.27Å; R64-F71 HydrophobicContact CG-CE2 4.33Å; R64-F71 HydrophobicContact CG-CZ 4.12Å
65	C	51.4	Low	44.9	Very low	30 Å²	30	127.6 Å²	127.6	20%	0.203	63%	0.63	C	S	.	*			trans	-59.7	125.9	168.5	174.1	0	0	0	0	110.2	V67 C68 G69 K70 C87 C90	C65-V67 PolarHBondContact O-N 3.15Å; C65-V67 VanDerWaalsContact O-N 3.15Å; C65-V67 PolarHBondContact SG-N 3.31Å; C65-V67 VanDerWaalsContact SG-N 3.44Å; C65-C68 VanDerWaalsContact CB-SG 3.57Å; C65-G69 WeakPolarHBondContact O-CA 3.35Å; C65-G69 PolarHBondContact O-N 3.18Å; C65-K70 PolarHBondContact N-O 3.37Å; C65-K70 VanDerWaalsContact N-O 3.13Å; C65-C87 HydrophobicContact CB-CB 4.25Å; C65-C90 PolarHBondContact SG-SG 3.49Å
66	R	53.8	Low	45.5	Very low	256 Å²	256	124.5 Å²	124.5	97%	0.966	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61	-23	-179.2	-71.9	-174.8	175.4	-171.9	0.1	114.1	R64	R64-R66 PolarHBondContact O-N 2.92Å
67	V	47.8	Very low	46.1	Very low	126 Å²	126	123.7 Å²	123.7	76%	0.764	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	-48.3	-177.5	-175.7	0	0	0	0	112	C65	C65-V67 PolarHBondContact O-N 3.15Å; C65-V67 VanDerWaalsContact O-N 3.15Å; C65-V67 PolarHBondContact SG-N 3.31Å; C65-V67 VanDerWaalsContact SG-N 3.44Å
68	C	58.9	Low	46.8	Very low	53 Å²	53	117 Å²	117	36%	0.358	59%	0.585	S	S	.	*	T	Hydrogen-bonded Turn	trans	-107.3	-11.9	-172.5	73.6	0	0	0	0	115	C65 K70	C65-C68 VanDerWaalsContact CB-SG 3.57Å; C68-K70 PolarHBondContact O-N 2.94Å; C68-K70 VanDerWaalsContact O-N 3.12Å
69	G	52.9	Low	47.6	Very low	36 Å²	36	117.2 Å²	117.2	37%	0.371	58%	0.578	S	S	.	*			trans	71.6	-4	177.4	0	0	0	0	0	116.3	R64 C65	R64-G69 PolarHBondContact NH1-O 3.34Å; C65-G69 WeakPolarHBondContact O-CA 3.35Å; C65-G69 PolarHBondContact O-N 3.18Å
70	K	52.7	Low	48.1	Very low	128 Å²	128	123 Å²	123	56%	0.557	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-73.5	158.6	174.5	-63.7	-173.3	173.8	-171.8	0	111.6	C65 C68 I89	C65-K70 PolarHBondContact N-O 3.37Å; C65-K70 VanDerWaalsContact N-O 3.13Å; C68-K70 PolarHBondContact O-N 2.94Å; C68-K70 VanDerWaalsContact O-N 3.12Å; K70-I89 HydrophobicContact CD-CD1 4.23Å
71	F	42.9	Very low	48.4	Very low	115 Å²	115	117.7 Å²	117.7	50%	0.504	58%	0.575	S	S	.	*	P	Polyproline II helix	trans	-85.4	157.6	165.5	-72.1	-88.3	0	0	0	110.7	Y63 R64	Y63-F71 WeakPolarHBondContact O-CD1 3.31Å; R64-F71 HydrophobicContact CG-CE1 4.27Å; R64-F71 HydrophobicContact CG-CE2 4.33Å; R64-F71 HydrophobicContact CG-CZ 4.12Å
72	P	49.1	Very low	48.5	Very low	40 Å²	40	115.2 Å²	115.2	26%	0.26	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-59.5	147.3	167.7	-24.1	35.7	0	0	0	112.9	R74 Y85	P72-R74 VanDerWaalsContact C-N 3.31Å; P72-R74 WeakPolarHBondContact CB-O 3.39Å; P72-Y85 HydrophobicContact CB-CE1 4.26Å; P72-Y85 HydrophobicContact CB-CE2 4.21Å; P72-Y85 WeakPolarHBondContact CB-OH 3.32Å; P72-Y85 HydrophobicContact CG-CD1 4.44Å; P72-Y85 HydrophobicContact CG-CE1 3.73Å; P72-Y85 HydrophobicContact CG-CE2 4.43Å
73	S	50.1	Low	48.3	Very low	110 Å²	110	114.3 Å²	114.3	77%	0.769	56%	0.562	S	S	*	*	S	Bend	trans	-76.7	-17.2	173.4	-51.5	0	0	0	0	113.4
74	R	48.4	Very low	48.2	Very low	216 Å²	216	112.1 Å²	112.1	82%	0.815	57%	0.565	S	S	*	*	S	Bend	trans	-141	142.2	171.5	-64.1	-173.8	-180	-149.5	-0.7	108.3	P72	P72-R74 VanDerWaalsContact C-N 3.31Å; P72-R74 WeakPolarHBondContact CB-O 3.39Å
75	L	47.4	Very low	48	Very low	144 Å²	144	110.9 Å²	110.9	75%	0.754	56%	0.562	S	S	*	*			trans	-83.1	141.2	166.9	-73.8	88.8	0	0	0	109.2
76	P	44.4	Very low	48.1	Very low	39 Å²	39	112.5 Å²	112.5	25%	0.253	57%	0.57	S	S	.	*			trans	-71.8	153.9	170.9	31.8	-35	0	0	0	111.2	D81 M82	P76-D81 HydrophobicContact CB-CB 3.62Å; P76-D81 HydrophobicContact CG-CB 4.27Å; P76-M82 HydrophobicContact CG-CG 4.18Å
77	P	44.2	Very low	47.8	Very low	124 Å²	124	101 Å²	101	81%	0.805	53%	0.529	S	S	*	.	S	Bend	trans	-76.6	-27.6	-170.2	29.4	-34.6	0	0	0	114.5
78	T	47.6	Very low	47.9	Very low	63 Å²	63	102.8 Å²	102.8	39%	0.387	53%	0.529	S	S	.	.	S	Bend	trans	-117.1	166.2	-177.1	81.4	0	0	0	0	113.8	E80 D81	T78-E80 PolarHBondContact O-N 3.47Å; T78-E80 PolarHBondContact OG1-N 2.97Å; T78-E80 VanDerWaalsContact OG1-N 3.17Å; T78-D81 VanDerWaalsContact CB-OD2 3.31Å; T78-D81 WeakPolarHBondContact CB-OD2 3.46Å; T78-D81 WeakPolarHBondContact CG2-OD2 3.47Å; T78-D81 PolarHBondContact N-OD2 3.18Å; T78-D81 VanDerWaalsContact N-OD2 3.07Å; T78-D81 PolarHBondContact OG1-N 3.45Å; T78-D81 PolarHBondContact OG1-OD2 3.28Å
79	K	46.8	Very low	47.6	Very low	183 Å²	183	106 Å²	106	80%	0.796	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-14.4	171.4	-73.4	177.2	179.2	168.9	0	113.3
80	E	44.1	Very low	47.5	Very low	147 Å²	147	106.3 Å²	106.3	69%	0.687	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-40.6	-174.7	-55	-162.9	127.4	0	0	110.3	T78 M82 K83	T78-E80 PolarHBondContact O-N 3.47Å; T78-E80 PolarHBondContact OG1-N 2.97Å; T78-E80 VanDerWaalsContact OG1-N 3.17Å; E80-M82 PolarHBondContact O-N 3.31Å; E80-M82 VanDerWaalsContact O-N 3.1Å; E80-K83 WeakPolarHBondContact O-CB 3.34Å; E80-K83 PolarHBondContact O-N 2.91Å
81	D	43.9	Very low	47.2	Very low	58 Å²	58	106.3 Å²	106.3	31%	0.31	54%	0.539	S	S	.	.	G	3₁₀ helix	trans	-54.8	-25.4	168.1	-56	-47.7	0	0	0	113.3	P76 T78 K83 S84 Y85	P76-D81 HydrophobicContact CB-CB 3.62Å; P76-D81 HydrophobicContact CG-CB 4.27Å; T78-D81 VanDerWaalsContact CB-OD2 3.31Å; T78-D81 WeakPolarHBondContact CB-OD2 3.46Å; T78-D81 WeakPolarHBondContact CG2-OD2 3.47Å; T78-D81 PolarHBondContact N-OD2 3.18Å; T78-D81 VanDerWaalsContact N-OD2 3.07Å; T78-D81 PolarHBondContact OG1-N 3.45Å; T78-D81 PolarHBondContact OG1-OD2 3.28Å; D81-K83 PolarHBondContact O-N 3.31Å; D81-S84 PolarHBondContact O-N 3.49Å; D81-S84 VanDerWaalsContact O-N 3.15Å; D81-S84 PolarHBondContact O-OG 3.1Å; D81-S84 VanDerWaalsContact O-OG 3.11Å; D81-Y85 PolarHBondContact O-N 2.98Å
82	M	41.7	Very low	47.2	Very low	93 Å²	93	105.7 Å²	105.7	46%	0.458	55%	0.547	S	S	.	.	G	3₁₀ helix	trans	-65	-15.3	175.8	-67.9	-168.5	176	0	0	113.6	P76 E80	P76-M82 HydrophobicContact CG-CG 4.18Å; E80-M82 PolarHBondContact O-N 3.31Å; E80-M82 VanDerWaalsContact O-N 3.1Å
83	K	45	Very low	46.2	Very low	184 Å²	184	113.9 Å²	113.9	80%	0.8	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-84.7	-22	174.8	-63.7	175.5	-174.8	165.3	0	113	E80 D81	E80-K83 WeakPolarHBondContact O-CB 3.34Å; E80-K83 PolarHBondContact O-N 2.91Å; D81-K83 PolarHBondContact O-N 3.31Å
84	S	48	Very low	45.3	Very low	83 Å²	83	116.5 Å²	116.5	58%	0.58	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.4	-2.1	-176	51.5	0	0	0	0	113.9	D81 V86	D81-S84 PolarHBondContact O-N 3.49Å; D81-S84 VanDerWaalsContact O-N 3.15Å; D81-S84 PolarHBondContact O-OG 3.1Å; D81-S84 VanDerWaalsContact O-OG 3.11Å; S84-V86 PolarHBondContact O-N 3.33Å
85	Y	46.9	Very low	44.5	Very low	101 Å²	101	113.7 Å²	113.7	40%	0.396	58%	0.582	S	S	.	*			trans	-62.2	105.8	-178	-179.9	-97.4	0	0	0	113.3	P72 D81	P72-Y85 HydrophobicContact CB-CE1 4.26Å; P72-Y85 HydrophobicContact CB-CE2 4.21Å; P72-Y85 WeakPolarHBondContact CB-OH 3.32Å; P72-Y85 HydrophobicContact CG-CD1 4.44Å; P72-Y85 HydrophobicContact CG-CE1 3.73Å; P72-Y85 HydrophobicContact CG-CE2 4.43Å; D81-Y85 PolarHBondContact O-N 2.98Å
86	V	52.9	Low	43.7	Very low	64 Å²	64	118.2 Å²	118.2	39%	0.388	59%	0.589	S	S	.	*			trans	-84.9	136.3	170.6	171.9	0	0	0	0	110.2	S84 E88 E91	S84-V86 PolarHBondContact O-N 3.33Å; V86-E88 PolarHBondContact O-N 3.13Å; V86-E91 HydrophobicContact CG1-CB 3.76Å; V86-E91 HydrophobicContact CG1-CG 3.72Å
87	C	48.3	Very low	43.1	Very low	14 Å²	14	120 Å²	120	10%	0.095	62%	0.615	C	S	.	*			trans	-73.3	112.5	165.9	160.4	0	0	0	0	109.5	C65 I89 C90	C65-C87 HydrophobicContact CB-CB 4.25Å; C87-I89 PolarHBondContact O-N 2.71Å; C87-I89 PolarHBondContact SG-N 3.47Å; C87-I89 VanDerWaalsContact SG-N 3.44Å; C87-C90 HydrophobicContact CB-CB 3.48Å; C87-C90 VanDerWaalsContact CB-CB 3.48Å; C87-C90 WeakPolarHBondContact CB-SG 3.27Å; C87-C90 WeakPolarHBondContact O-CB 3.38Å; C87-C90 PolarHBondContact O-N 2.86Å; C87-C90 WeakPolarHBondContact SG-CB 3.46Å; C87-C90 PolarHBondContact SG-N 2.88Å; C87-C90 CovalentContact SG-SG 2.04Å; C87-C90 PolarHBondContact SG-SG 3.23Å
88	E	50.8	Low	42.5	Very low	164 Å²	164	117.6 Å²	117.6	77%	0.766	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.8	-21.4	177.1	-61	169.6	166.5	0	0	114.2	V86	V86-E88 PolarHBondContact O-N 3.13Å
89	I	52.5	Low	41.7	Very low	121 Å²	121	121.7 Å²	121.7	62%	0.621	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	-3	-178.8	-49.1	173.7	0	0	0	111.5	K70 C87	K70-I89 HydrophobicContact CD-CD1 4.23Å; C87-I89 PolarHBondContact O-N 2.71Å; C87-I89 PolarHBondContact SG-N 3.47Å; C87-I89 VanDerWaalsContact SG-N 3.44Å
90	C	50.8	Low	41	Very low	42 Å²	42	116.9 Å²	116.9	28%	0.284	63%	0.631	S	S	.	*	T	Hydrogen-bonded Turn	trans	-127.4	-9.1	-158.6	-54.9	0	0	0	0	117.2	C65 C87	C65-C90 PolarHBondContact SG-SG 3.49Å; C87-C90 HydrophobicContact CB-CB 3.48Å; C87-C90 VanDerWaalsContact CB-CB 3.48Å; C87-C90 WeakPolarHBondContact CB-SG 3.27Å; C87-C90 WeakPolarHBondContact O-CB 3.38Å; C87-C90 PolarHBondContact O-N 2.86Å; C87-C90 WeakPolarHBondContact SG-CB 3.46Å; C87-C90 PolarHBondContact SG-N 2.88Å; C87-C90 CovalentContact SG-SG 2.04Å; C87-C90 PolarHBondContact SG-SG 3.23Å
91	E	46	Very low	40.4	Very low	128 Å²	128	115.6 Å²	115.6	60%	0.598	64%	0.639	S	S	*	*			trans	-121	158.6	-172.1	-86.6	-160.7	-159.4	0	0	114.4	V86	V86-E91 HydrophobicContact CG1-CB 3.76Å; V86-E91 HydrophobicContact CG1-CG 3.72Å
92	P	43.2	Very low	39.7	Very low	101 Å²	101	116.3 Å²	116.3	66%	0.656	66%	0.66	S	S	*	*			cis	-130.4	156.8	-46.3	32.1	-16.1	0	0	0	112.4
93	K	28.4	Very low	39.3	Very low	212 Å²	212	121 Å²	121	92%	0.922	68%	0.68	S	S	*	*			trans	-123.7	69.9	168.7	-77.1	-159.7	172.4	-165.3	0	111.9
94	L	29.5	Very low	38.3	Very low	165 Å²	165	117.3 Å²	117.3	86%	0.864	68%	0.684	S	S	*	*			trans	-143.5	126.3	168.1	-81.3	176.5	0	0	0	111.3
95	I	32.6	Very low	37.5	Very low	158 Å²	158	118.7 Å²	118.7	81%	0.81	69%	0.689	S	S	*	*			trans	-151	131.8	175.2	-67.9	-177.8	0	0	0	103.7
96	R	31.2	Very low	36.5	Very low	239 Å²	239	122.2 Å²	122.2	90%	0.902	72%	0.715	S	S	*	*			cis	-151.4	169.1	4.8	-133.1	170.7	-172.4	173.4	0.6	109.9
97	G	31.1	Very low	35.5	Very low	76 Å²	76	127 Å²	127	78%	0.784	73%	0.733	S	S	*	*			trans	86.7	126	176.7	0	0	0	0	0	112.9
98	G	31.1	Very low	34.6	Very low	73 Å²	73	136.3 Å²	136.3	75%	0.753	77%	0.772	S	S	*	*			cis	94.9	129.4	16.4	0	0	0	0	0	110
99	V	31.7	Very low	33.5	Very low	150 Å²	150	134 Å²	134	91%	0.909	77%	0.772	S	S	*	*			cis	-153.9	166.4	2.4	-128.2	0	0	0	0	106.8
100	A	31.3	Very low	32.4	Very low	81 Å²	81	132.5 Å²	132.5	67%	0.669	77%	0.771	S	S	*	*			cis	-152.3	-155.9	7.4	0	0	0	0	0	111.9
101	S	31.3	Very low	31.3	Very low	121 Å²	121	137.9 Å²	137.9	85%	0.846	80%	0.796	S	S	*	*			trans	-0.8	130.4	157.7	56.2	0	0	0	0	120.8
102	G	29.3	Very low	30.7	Very low	73 Å²	73	139.6 Å²	139.6	75%	0.753	81%	0.807	S	S	*	*			trans	148.8	111.1	150.5	0	0	0	0	0	117.3
103	Q	32.7	Very low	30	Very low	190 Å²	190	140.7 Å²	140.7	89%	0.888	81%	0.808	S	S	*	*			trans	37.6	116.8	151.3	-61.2	-178.4	-4.2	0	0	120.2	T105	Q103-T105 PolarHBondContact O-N 3.17Å
104	A	25.5	Very low	30	Very low	107 Å²	107	134.5 Å²	134.5	88%	0.884	80%	0.804	S	S	*	*			trans	-78.3	119.2	172.8	0	0	0	0	0	112.9
105	T	30.7	Very low	30.1	Very low	112 Å²	112	132.8 Å²	132.8	69%	0.687	81%	0.806	S	S	*	*			trans	-129.6	135.6	163.3	57.9	0	0	0	0	110.9	Q103 Q107	Q103-T105 PolarHBondContact O-N 3.17Å; T105-Q107 VanDerWaalsContact C-N 3.33Å; T105-Q107 PolarHBondContact O-N 3.48Å; T105-Q107 VanDerWaalsContact O-N 3.14Å
106	N	26.6	Very low	30	Very low	175 Å²	175	135.6 Å²	135.6	94%	0.936	81%	0.806	S	S	*	*			trans	-88.2	65.9	-179.5	-77.2	-69.5	0	0	0	111.3
107	Q	31.8	Very low	30	Very low	166 Å²	166	133.4 Å²	133.4	78%	0.776	80%	0.804	S	S	*	*			trans	-130.1	128	170.9	-65.2	-171.4	4.3	0	0	110	T105 P109	T105-Q107 VanDerWaalsContact C-N 3.33Å; T105-Q107 PolarHBondContact O-N 3.48Å; T105-Q107 VanDerWaalsContact O-N 3.14Å; Q107-P109 WeakPolarHBondContact O-CD 3.35Å
108	F	28.1	Very low	30	Very low	208 Å²	208	132.8 Å²	132.8	91%	0.912	80%	0.797	S	S	*	*			trans	-93.5	108.1	170.5	-87.9	-87.5	0	0	0	109	C110	F108-C110 PolarHBondContact O-N 3.11Å
109	P	29	Very low	29.9	Very low	117 Å²	117	137.6 Å²	137.6	76%	0.76	80%	0.8	S	S	*	*			trans	-90.6	106.3	-176.8	33.4	-28.8	0	0	0	110.4	Q107	Q107-P109 WeakPolarHBondContact O-CD 3.35Å
110	C	28.4	Very low	29.9	Very low	88 Å²	88	139.9 Å²	139.9	60%	0.595	80%	0.798	S	S	*	*			trans	-135.6	49.9	172.8	-67.4	0	0	0	0	111	F108	F108-C110 PolarHBondContact O-N 3.11Å
111	L	27.4	Very low	29.9	Very low	156 Å²	156	139.2 Å²	139.2	82%	0.817	80%	0.799	S	S	*	*			trans	-112.5	94.2	166.8	-84.2	169.9	0	0	0	108.4
112	I	33.9	Very low	29.8	Very low	163 Å²	163	141.6 Å²	141.6	84%	0.836	80%	0.801	S	S	*	*			trans	-114.8	103.4	171.3	-59.1	-179.6	0	0	0	107
113	N	28.9	Very low	29.9	Very low	125 Å²	125	142.9 Å²	142.9	67%	0.668	80%	0.799	S	S	*	*			trans	-70.2	146.3	160.2	-66.8	-53	0	0	0	107.8	S115	N113-S115 PolarHBondContact O-N 3.3Å
114	G	27	Very low	29.8	Very low	81 Å²	81	139 Å²	139	84%	0.835	79%	0.793	S	S	*	*			trans	-70.2	123.7	-174.5	0	0	0	0	0	113.5
115	S	33.1	Very low	30.4	Very low	129 Å²	129	140.8 Å²	140.8	90%	0.902	79%	0.792	S	S	*	*			trans	-130	165.5	158.2	-75.8	0	0	0	0	108.9	N113	N113-S115 PolarHBondContact O-N 3.3Å
116	R	30	Very low	30.5	Very low	217 Å²	217	138.6 Å²	138.6	82%	0.819	79%	0.793	S	S	*	*			trans	-132.1	142.4	-154.3	-148.3	-174.4	-172.9	-175.3	2.2	111.4
117	F	30.7	Very low	30.9	Very low	193 Å²	193	136.1 Å²	136.1	85%	0.846	79%	0.786	S	S	*	*			trans	62.6	170.5	178.3	-62.4	-76.3	0	0	0	115.1
118	G	30.5	Very low	31.4	Very low	63 Å²	63	133.6 Å²	133.6	65%	0.649	78%	0.784	S	S	*	*			trans	-144.9	-179.3	-178.6	0	0	0	0	0	111
119	E	29.8	Very low	31.6	Very low	174 Å²	174	133.1 Å²	133.1	81%	0.813	78%	0.784	S	S	*	*			trans	56.1	107.5	172.5	-51.6	-176	132.5	0	0	114.1
120	F	32.7	Very low	31.8	Very low	199 Å²	199	131.3 Å²	131.3	87%	0.873	78%	0.779	S	S	*	*			cis	-162.4	174.8	48	-90.7	-91.8	0	0	0	110.8
121	G	31.4	Very low	32.2	Very low	67 Å²	67	133 Å²	133	69%	0.691	79%	0.792	S	S	*	*			trans	101.3	79.8	144.6	0	0	0	0	0	120
122	L	29.2	Very low	32.5	Very low	170 Å²	170	130.1 Å²	130.1	89%	0.89	79%	0.785	S	S	*	*			trans	51.5	133	131.1	-63.3	171	0	0	0	123.4
123	S	30.7	Very low	32.6	Very low	101 Å²	101	128.1 Å²	128.1	71%	0.706	79%	0.786	S	S	*	*			trans	71.1	98.4	149.9	22.1	0	0	0	0	122.3
124	S	31.4	Very low	32.7	Very low	108 Å²	108	125.5 Å²	125.5	76%	0.755	79%	0.788	S	S	*	*				49.8	120.7	119.6	65.3	0	0	0	0	122.8
125	V	36.9	Very low	33.1	Very low	144 Å²	144	131.2 Å²	131.2	87%	0.873	79%	0.793	S	S	*	*				160.8	137	110.8	161.2	0	0	0	0	111.6
126	G	33.4	Very low	32.9	Very low	67 Å²	67	131.2 Å²	131.2	69%	0.691	79%	0.787	S	S	*	*			trans	67.9	107.2	142.6	0	0	0	0	0	122.5
127	P	35	Very low	33.3	Very low	122 Å²	122	127.9 Å²	127.9	79%	0.792	79%	0.79	S	S	*	*			trans	-112.1	-170.3	159.5	41	-30	0	0	0	111.7
128	P	41.8	Very low	33.1	Very low	114 Å²	114	127.9 Å²	127.9	74%	0.74	79%	0.793	S	S	*	*				-139	151.2	-50.5	37	-20.6	0	0	0	114.7
129	E	32.5	Very low	33.2	Very low	197 Å²	197	128.4 Å²	128.4	92%	0.921	80%	0.799	S	S	*	*			trans	-147.9	168.1	161.4	-72.2	-164.6	175.1	0	0	110.6
130	A	32.5	Very low	33.4	Very low	79 Å²	79	127.7 Å²	127.7	65%	0.653	80%	0.8	S	S	*	*			cis	174.7	156.7	-42.3	0	0	0	0	0	107
131	S	36.6	Very low	33.2	Very low	123 Å²	123	125.3 Å²	125.3	86%	0.86	80%	0.796	S	S	*	*			trans	66.5	159.4	178.9	90.2	0	0	0	0	115.4
132	S	34.3	Very low	33.2	Very low	97 Å²	97	129.8 Å²	129.8	68%	0.678	80%	0.804	S	S	*	*			cis	-158.9	167.5	-31.5	59.6	0	0	0	0	109.9
133	S	35.9	Very low	33.4	Very low	121 Å²	121	131.9 Å²	131.9	85%	0.846	81%	0.806	S	S	*	*			trans	67.6	145.9	160.9	-46.9	0	0	0	0	117.7
134	G	32.2	Very low	33.7	Very low	69 Å²	69	136.6 Å²	136.6	71%	0.711	81%	0.814	S	S	*	*			cis	153.1	111.8	-13.8	0	0	0	0	0	113.3
135	Q	35.6	Very low	33.9	Very low	202 Å²	202	138.1 Å²	138.1	94%	0.944	81%	0.809	S	S	*	*			trans	-170.4	154.3	155.2	-110.6	168.2	14.2	0	0	110.7
136	V	27.9	Very low	34.2	Very low	129 Å²	129	139.2 Å²	139.2	78%	0.782	80%	0.802	S	S	*	*			trans	-119.9	130.7	-180	177	0	0	0	0	109.4	E138	V136-E138 HydrophobicContact CG1-CG 4.39Å
137	V	37.7	Very low	35	Very low	146 Å²	146	138.4 Å²	138.4	89%	0.885	79%	0.786	S	S	*	*			trans	-134.9	121.4	162.5	-82.5	0	0	0	0	108.4	G139	V137-G139 PolarHBondContact O-N 2.94Å
138	E	27.9	Very low	36.1	Very low	194 Å²	194	135.4 Å²	135.4	91%	0.907	76%	0.763	S	S	*	*			trans	-81.9	109.6	-178.1	-68.9	-161.3	109.1	0	0	111.3	V136	V136-E138 HydrophobicContact CG1-CG 4.39Å
139	G	32.3	Very low	37.2	Very low	74 Å²	74	133.7 Å²	133.7	76%	0.763	75%	0.75	S	S	*	*			trans	-123.2	82.6	-178.7	0	0	0	0	0	112.9	V137	V137-G139 PolarHBondContact O-N 2.94Å
140	L	34.5	Very low	39	Very low	159 Å²	159	124.6 Å²	124.6	83%	0.832	71%	0.708	S	S	*	*			trans	18.2	110.3	161.5	-61.1	174.4	0	0	0	119.4
141	N	27.7	Very low	40.9	Very low	148 Å²	148	125 Å²	125	79%	0.791	71%	0.705	S	S	*	*			trans	52.1	82.9	144.6	-70.4	-28.8	0	0	0	119.8
142	N	30.7	Very low	42.3	Very low	162 Å²	162	124 Å²	124	87%	0.866	69%	0.69	S	S	*	*			trans	-155.5	65.7	148.2	-109.9	-48.3	0	0	0	113.8	K144	N142-K144 PolarHBondContact O-N 3.18Å
143	K	33.8	Very low	44	Very low	214 Å²	214	120.7 Å²	120.7	93%	0.93	67%	0.667	S	S	*	*			trans	-72.6	95.4	175.7	-77.9	-177.9	177.4	172.2	0	111.2	E145	K143-E145 PolarHBondContact O-N 2.82Å
144	K	37.1	Very low	45.8	Very low	200 Å²	200	122.4 Å²	122.4	87%	0.87	67%	0.666	S	S	*	*			trans	-57.5	95.3	164.9	-81.1	178.1	174.3	171	0	110.1	N142 K146	N142-K144 PolarHBondContact O-N 3.18Å; K144-K146 PolarHBondContact O-N 3.37Å; K144-K146 VanDerWaalsContact O-N 3.15Å
145	E	36	Very low	47.7	Very low	140 Å²	140	125 Å²	125	65%	0.654	66%	0.658	S	S	*	*			trans	-66.1	109.7	176.9	-167.9	176.1	-145	0	0	109.4	K143 S147	K143-E145 PolarHBondContact O-N 2.82Å; E145-S147 PolarHBondContact O-N 3.43Å
146	K	42.4	Very low	49.6	Very low	167 Å²	167	121.5 Å²	121.5	73%	0.726	64%	0.642	S	S	*	*			trans	-63.4	101.6	-180	-75	-171.9	176.1	-172.7	0	109.9	K144	K144-K146 PolarHBondContact O-N 3.37Å; K144-K146 VanDerWaalsContact O-N 3.15Å
147	S	51.2	Low	51.7	Low	50 Å²	50	117.5 Å²	117.5	35%	0.35	61%	0.614	S	S	.	*	P	Polyproline II helix	trans	-73	134.7	178.5	68.5	0	0	0	0	111.1	E145 Q156	E145-S147 PolarHBondContact O-N 3.43Å; S147-Q156 PolarHBondContact OG-OE1 2.89Å
148	L	57.7	Low	53.4	Low	59 Å²	59	112.2 Å²	112.2	31%	0.309	59%	0.589	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.2	122.3	-178.3	-65.2	166.6	0	0	0	109.3	Q156 F157 A160 L163	L148-Q156 CarbonylContact O-C 3.33Å; L148-F157 PolarHBondContact N-O 2.75Å; L148-F157 PolarHBondContact O-N 2.91Å; L148-A160 VanDerWaalsContact CD1-CA 3.47Å; L148-A160 HydrophobicContact CD1-CB 3.62Å; L148-L163 HydrophobicContact CB-CB 4.42Å; L148-L163 HydrophobicContact CB-CD2 3.79Å
149	V	65.9	Low	55.7	Low	78 Å²	78	109.2 Å²	109.2	47%	0.473	57%	0.573	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.3	146.9	-172.4	-162.9	0	0	0	0	111.2	Q156 L163	V149-Q156 HydrophobicContact CG2-CG 4.17Å; V149-L163 WeakPolarHBondContact O-CD2 3.02Å
150	C	69.6	Low	57.6	Low	6 Å²	6	108.3 Å²	108.3	4%	0.041	56%	0.559	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-75.5	126.4	172.9	157.8	0	0	0	0	111.2	N152 C153 K155 F157 L163 H166 M167 H170	C150-N152 VanDerWaalsContact C-N 3.26Å; C150-N152 PolarHBondContact O-N 2.91Å; C150-C153 CarbonylContact C-O 3.51Å; C150-C153 HydrophobicContact CB-CB 4.35Å; C150-C153 WeakPolarHBondContact CB-O 3.21Å; C150-C153 WeakPolarHBondContact CB-SG 3.29Å; C150-C153 CarbonylContact O-C 3.59Å; C150-C153 PolarHBondContact O-N 2.82Å; C150-C153 VanDerWaalsContact SG-CA 3.53Å; C150-C153 WeakPolarHBondContact SG-CB 3.27Å; C150-C153 PolarHBondContact SG-N 2.9Å; C150-C153 PolarHBondContact SG-O 3.43Å; C150-C153 CovalentContact SG-SG 2.07Å; C150-C153 PolarHBondContact SG-SG 3.12Å; C150-K155 HydrophobicContact CB-CB 4.43Å; C150-K155 PolarHBondContact N-O 2.82Å; C150-F157 HydrophobicContact CB-CE2 4.38Å; C150-L163 HydrophobicContact CB-CD1 3.99Å; C150-H166 PolarHBondContact SG-NE2 3.3Å; C150-H166 VanDerWaalsContact SG-NE2 3.41Å; C150-M167 HydrophobicContact CB-SD 4.43Å; C150-H170 PolarHBondContact SG-NE2 2.87Å
151	C	71.6	Confident	59.7	Low	88 Å²	88	107.9 Å²	107.9	60%	0.595	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-13	178.9	54.8	0	0	0	0	113.9	M167	C151-M167 VanDerWaalsContact SG-CE 3.52Å
152	N	65.6	Low	62	Low	102 Å²	102	102.8 Å²	102.8	55%	0.545	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	2.9	173.8	-61.4	107.4	0	0	0	113.3	C150 M167 H170	C150-N152 VanDerWaalsContact C-N 3.26Å; C150-N152 PolarHBondContact O-N 2.91Å; N152-M167 VanDerWaalsContact OD1-CE 3.23Å; N152-M167 WeakPolarHBondContact OD1-CE 3.31Å; N152-H170 HydrophobicContact CB-CB 4.18Å
153	C	71.7	Confident	64.1	Low	27 Å²	27	96.5 Å²	96.5	18%	0.182	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.8	150	-171.3	68	0	0	0	0	113.7	C150 K155 H166 H170	C150-C153 CarbonylContact C-O 3.51Å; C150-C153 HydrophobicContact CB-CB 4.35Å; C150-C153 WeakPolarHBondContact CB-O 3.21Å; C150-C153 WeakPolarHBondContact CB-SG 3.29Å; C150-C153 CarbonylContact O-C 3.59Å; C150-C153 PolarHBondContact O-N 2.82Å; C150-C153 VanDerWaalsContact SG-CA 3.53Å; C150-C153 WeakPolarHBondContact SG-CB 3.27Å; C150-C153 PolarHBondContact SG-N 2.9Å; C150-C153 PolarHBondContact SG-O 3.43Å; C150-C153 CovalentContact SG-SG 2.07Å; C150-C153 PolarHBondContact SG-SG 3.12Å; C153-K155 PolarHBondContact O-N 2.99Å; C153-H166 PolarHBondContact SG-NE2 2.91Å; C153-H170 PolarHBondContact SG-NE2 3.19Å
154	D	72.9	Confident	66	Low	157 Å²	157	94.8 Å²	94.8	84%	0.84	47%	0.474	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.7	28.2	-172	-38.1	-78.6	0	0	0	114.8
155	K	73	Confident	68	Low	122 Å²	122	90.4 Å²	90.4	53%	0.53	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	122.9	-179.1	-67.3	-179.2	-178.8	172.1	0	110.9	C150 C153 F157	C150-K155 HydrophobicContact CB-CB 4.43Å; C150-K155 PolarHBondContact N-O 2.82Å; C153-K155 PolarHBondContact O-N 2.99Å; K155-F157 HydrophobicContact CB-CE2 3.61Å; K155-F157 HydrophobicContact CB-CZ 3.77Å; K155-F157 HydrophobicContact CD-CZ 4.48Å; K155-F157 WeakPolarHBondContact O-CD2 3.34Å; K155-F157 VanDerWaalsContact O-CE2 3.31Å; K155-F157 WeakPolarHBondContact O-CE2 3.27Å
156	Q	73.9	Confident	70	Confident	130 Å²	130	84.9 Å²	84.9	61%	0.607	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96	145.2	176.5	-49	-168.5	-0.1	0	0	111.3	S147 L148 V149	S147-Q156 PolarHBondContact OG-OE1 2.89Å; L148-Q156 CarbonylContact O-C 3.33Å; V149-Q156 HydrophobicContact CG2-CG 4.17Å
157	F	73.2	Confident	71.5	Confident	44 Å²	44	78.8 Å²	78.8	19%	0.193	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	126.6	179.7	-58.1	-88.6	0	0	0	110.2	L148 C150 K155 K159 D162 L163 H166	L148-F157 PolarHBondContact N-O 2.75Å; L148-F157 PolarHBondContact O-N 2.91Å; C150-F157 HydrophobicContact CB-CE2 4.38Å; K155-F157 HydrophobicContact CB-CE2 3.61Å; K155-F157 HydrophobicContact CB-CZ 3.77Å; K155-F157 HydrophobicContact CD-CZ 4.48Å; K155-F157 WeakPolarHBondContact O-CD2 3.34Å; K155-F157 VanDerWaalsContact O-CE2 3.31Å; K155-F157 WeakPolarHBondContact O-CE2 3.27Å; F157-K159 PolarHBondContact O-N 2.83Å; F157-K159 VanDerWaalsContact O-N 3.1Å; F157-D162 HydrophobicContact CB-CB 4.16Å; F157-D162 HydrophobicContact CD1-CB 3.99Å; F157-D162 HydrophobicContact CG-CB 4.4Å; F157-L163 HydrophobicContact CB-CB 4.24Å; F157-L163 HydrophobicContact CD2-CB 4.07Å; F157-L163 HydrophobicContact CD2-CD1 3.92Å; F157-L163 HydrophobicContact CE2-CD1 4.15Å; F157-L163 HydrophobicContact CG-CB 4.33Å; F157-H166 HydrophobicContact CE1-CB 3.92Å; F157-H166 HydrophobicContact CE2-CB 3.95Å; F157-H166 AromaticContact CE2-CD2 3.32Å; F157-H166 WeakPolarHBondContact CE2-CD2 3.16Å; F157-H166 AromaticContact CE2-CG 3.77Å; F157-H166 HydrophobicContact CZ-CB 3.49Å; F157-H166 VanDerWaalsContact CZ-CB 3.49Å; F157-H166 AromaticContact CZ-CD2 3.32Å; F157-H166 WeakPolarHBondContact CZ-CD2 3.39Å; F157-H166 AromaticContact CZ-CG 3.31Å
158	G	72.4	Confident	72.9	Confident	36 Å²	36	78.6 Å²	78.6	37%	0.371	39%	0.392	S	S	.	.	S	Bend	trans	-66	-10.2	178.3	0	0	0	0	0	115
159	K	76.7	Confident	73.8	Confident	130 Å²	130	80.4 Å²	80.4	57%	0.565	41%	0.406	S	S	*	.	S	Bend	trans	-136	135.3	-175.1	-61	-173.9	-179.4	-176.1	0	112.1	F157 Y161 D162 L163	F157-K159 PolarHBondContact O-N 2.83Å; F157-K159 VanDerWaalsContact O-N 3.1Å; K159-Y161 PolarHBondContact O-N 3Å; K159-D162 WeakPolarHBondContact O-CA 3.47Å; K159-D162 WeakPolarHBondContact O-CB 3.22Å; K159-D162 PolarHBondContact O-N 3.15Å; K159-L163 PolarHBondContact O-N 3.32Å; K159-L163 VanDerWaalsContact O-N 3.14Å
160	A	71.5	Confident	74.2	Confident	56 Å²	56	80.1 Å²	80.1	46%	0.463	40%	0.399	S	S	.	.	H	α-helix	trans	-61.5	-31.4	-178.5	0	0	0	0	0	113.2	L148 D162 R164	L148-A160 VanDerWaalsContact CD1-CA 3.47Å; L148-A160 HydrophobicContact CD1-CB 3.62Å; A160-D162 VanDerWaalsContact C-N 3.31Å; A160-D162 PolarHBondContact O-N 3.44Å; A160-R164 VanDerWaalsContact O-CB 3.27Å; A160-R164 WeakPolarHBondContact O-CB 3.18Å; A160-R164 PolarHBondContact O-N 2.54Å
161	Y	79	Confident	74.4	Confident	149 Å²	149	83.7 Å²	83.7	58%	0.584	42%	0.421	S	S	*	.	H	α-helix	trans	-61.2	-39	170.7	171.4	-101.4	0	0	0	112.1	K159 R164 R165	K159-Y161 PolarHBondContact O-N 3Å; Y161-R164 PolarHBondContact O-N 3.31Å; Y161-R165 WeakPolarHBondContact O-CB 3.47Å; Y161-R165 PolarHBondContact O-N 3.3Å
162	D	76.9	Confident	74.5	Confident	41 Å²	41	81.5 Å²	81.5	22%	0.219	41%	0.413	C	S	.	.	H	α-helix	trans	-74.9	-38.2	-178.4	-75.8	-53.2	0	0	0	112.7	F157 K159 A160 R165 H166	F157-D162 HydrophobicContact CB-CB 4.16Å; F157-D162 HydrophobicContact CD1-CB 3.99Å; F157-D162 HydrophobicContact CG-CB 4.4Å; K159-D162 WeakPolarHBondContact O-CA 3.47Å; K159-D162 WeakPolarHBondContact O-CB 3.22Å; K159-D162 PolarHBondContact O-N 3.15Å; A160-D162 VanDerWaalsContact C-N 3.31Å; A160-D162 PolarHBondContact O-N 3.44Å; D162-R165 PolarHBondContact O-N 3.24Å; D162-R165 IonicContact OD1-CZ 3.09Å; D162-R165 IonicContact OD1-NE 3.91Å; D162-R165 PolarHBondContact OD1-NE 2.69Å; D162-R165 IonicContact OD1-NH2 2.61Å; D162-R165 PolarHBondContact OD1-NH2 3.15Å; D162-H166 VanDerWaalsContact O-CB 3.29Å; D162-H166 WeakPolarHBondContact O-CB 3.45Å; D162-H166 PolarHBondContact O-N 3.4Å
163	L	74.4	Confident	75	Confident	31 Å²	31	81.4 Å²	81.4	16%	0.162	41%	0.409	C	S	.	.	H	α-helix	trans	-60.4	-52.2	167.1	175.8	57	0	0	0	110.8	L148 V149 C150 F157 K159 R165 H166 M167	L148-L163 HydrophobicContact CB-CB 4.42Å; L148-L163 HydrophobicContact CB-CD2 3.79Å; V149-L163 WeakPolarHBondContact O-CD2 3.02Å; C150-L163 HydrophobicContact CB-CD1 3.99Å; F157-L163 HydrophobicContact CB-CB 4.24Å; F157-L163 HydrophobicContact CD2-CB 4.07Å; F157-L163 HydrophobicContact CD2-CD1 3.92Å; F157-L163 HydrophobicContact CE2-CD1 4.15Å; F157-L163 HydrophobicContact CG-CB 4.33Å; K159-L163 PolarHBondContact O-N 3.32Å; K159-L163 VanDerWaalsContact O-N 3.14Å; L163-R165 VanDerWaalsContact C-N 3.27Å; L163-R165 PolarHBondContact O-N 2.31Å; L163-H166 CarbonylContact O-C 3.42Å; L163-H166 WeakPolarHBondContact O-CA 3.43Å; L163-H166 WeakPolarHBondContact O-CB 3.39Å; L163-H166 PolarHBondContact O-N 3.47Å; L163-M167 HydrophobicContact CD1-CG 4.07Å; L163-M167 HydrophobicContact CD1-SD 3.77Å; L163-M167 HydrophobicContact CG-CG 4.37Å; L163-M167 WeakPolarHBondContact O-CG 3.3Å; L163-M167 PolarHBondContact O-N 3.09Å
164	R	74.1	Confident	75.5	Confident	177 Å²	177	85.8 Å²	85.8	67%	0.668	43%	0.425	S	S	*	.	H	α-helix	trans	-58.2	-38.4	178.6	-168.9	-173	-60.8	179.3	0.9	112.4	A160 Y161 H166	A160-R164 VanDerWaalsContact O-CB 3.27Å; A160-R164 WeakPolarHBondContact O-CB 3.18Å; A160-R164 PolarHBondContact O-N 2.54Å; Y161-R164 PolarHBondContact O-N 3.31Å; R164-H166 VanDerWaalsContact C-N 3.33Å
165	R	79.3	Confident	75.9	Confident	108 Å²	108	81 Å²	81	41%	0.408	40%	0.402	S	S	.	.	H	α-helix	trans	-65.6	-36.4	174.2	-179.7	170.1	71	139	1.1	111.8	Y161 D162 L163 L187	Y161-R165 WeakPolarHBondContact O-CB 3.47Å; Y161-R165 PolarHBondContact O-N 3.3Å; D162-R165 PolarHBondContact O-N 3.24Å; D162-R165 IonicContact OD1-CZ 3.09Å; D162-R165 IonicContact OD1-NE 3.91Å; D162-R165 PolarHBondContact OD1-NE 2.69Å; D162-R165 IonicContact OD1-NH2 2.61Å; D162-R165 PolarHBondContact OD1-NH2 3.15Å; L163-R165 VanDerWaalsContact C-N 3.27Å; L163-R165 PolarHBondContact O-N 2.31Å; R165-L187 HydrophobicContact CG-CD2 3.59Å
166	H	78	Confident	76.5	Confident	24 Å²	24	78.5 Å²	78.5	11%	0.111	39%	0.39	C	S	.	.	H	α-helix	trans	-74	-40	176	172.7	46.2	0	0	0	113	C150 C153 F157 D162 L163 R164 R168 T169 H170	C150-H166 PolarHBondContact SG-NE2 3.3Å; C150-H166 VanDerWaalsContact SG-NE2 3.41Å; C153-H166 PolarHBondContact SG-NE2 2.91Å; F157-H166 HydrophobicContact CE1-CB 3.92Å; F157-H166 HydrophobicContact CE2-CB 3.95Å; F157-H166 AromaticContact CE2-CD2 3.32Å; F157-H166 WeakPolarHBondContact CE2-CD2 3.16Å; F157-H166 AromaticContact CE2-CG 3.77Å; F157-H166 HydrophobicContact CZ-CB 3.49Å; F157-H166 VanDerWaalsContact CZ-CB 3.49Å; F157-H166 AromaticContact CZ-CD2 3.32Å; F157-H166 WeakPolarHBondContact CZ-CD2 3.39Å; F157-H166 AromaticContact CZ-CG 3.31Å; D162-H166 VanDerWaalsContact O-CB 3.29Å; D162-H166 WeakPolarHBondContact O-CB 3.45Å; D162-H166 PolarHBondContact O-N 3.4Å; L163-H166 CarbonylContact O-C 3.42Å; L163-H166 WeakPolarHBondContact O-CA 3.43Å; L163-H166 WeakPolarHBondContact O-CB 3.39Å; L163-H166 PolarHBondContact O-N 3.47Å; R164-H166 VanDerWaalsContact C-N 3.33Å; H166-R168 PolarHBondContact O-N 2.74Å; H166-T169 PolarHBondContact CE1-OG1 2.65Å; H166-T169 PolarHBondContact ND1-OG1 2.91Å; H166-T169 PolarHBondContact O-N 2.93Å; H166-T169 PolarHBondContact O-OG1 3.43Å; H166-H170 AromaticContact CE1-NE2 3.42Å; H166-H170 PolarHBondContact CE1-NE2 3.23Å; H166-H170 AromaticContact NE2-CD2 3.89Å; H166-H170 AromaticContact NE2-NE2 3.08Å; H166-H170 PolarHBondContact NE2-NE2 2.93Å
167	M	73.1	Confident	77	Confident	39 Å²	39	74.8 Å²	74.8	19%	0.192	38%	0.382	C	S	.	.	H	α-helix	trans	-54.8	-26	-177.9	-66.8	-50.7	-71.3	0	0	113.7	C150 C151 N152 L163 T169 H170 T171	C150-M167 HydrophobicContact CB-SD 4.43Å; C151-M167 VanDerWaalsContact SG-CE 3.52Å; N152-M167 VanDerWaalsContact OD1-CE 3.23Å; N152-M167 WeakPolarHBondContact OD1-CE 3.31Å; L163-M167 HydrophobicContact CD1-CG 4.07Å; L163-M167 HydrophobicContact CD1-SD 3.77Å; L163-M167 HydrophobicContact CG-CG 4.37Å; L163-M167 WeakPolarHBondContact O-CG 3.3Å; L163-M167 PolarHBondContact O-N 3.09Å; M167-T169 PolarHBondContact O-N 3.15Å; M167-T169 VanDerWaalsContact O-N 3.1Å; M167-H170 PolarHBondContact O-N 3.41Å; M167-T171 PolarHBondContact O-N 3.45Å
168	R	81	Confident	77.4	Confident	47 Å²	47	73.3 Å²	73.3	18%	0.177	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-17.2	171	-60.7	-172.8	-178.1	142.3	10.1	114.9	H166 H170 G172 E173 A186	H166-R168 PolarHBondContact O-N 2.74Å; R168-H170 VanDerWaalsContact C-N 3.3Å; R168-G172 PolarHBondContact O-N 3.39Å; R168-E173 HydrophobicContact CB-CB 4.25Å; R168-E173 HydrophobicContact CG-CB 4.04Å; R168-E173 IonicContact NE-OE2 2.97Å; R168-A186 HydrophobicContact CB-CB 4.23Å; R168-A186 PolarHBondContact NH1-O 2.76Å
169	T	76	Confident	77.9	Confident	97 Å²	97	76.4 Å²	76.4	60%	0.595	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-17	171.6	65.4	0	0	0	0	113.1	H166 M167	H166-T169 PolarHBondContact CE1-OG1 2.65Å; H166-T169 PolarHBondContact ND1-OG1 2.91Å; H166-T169 PolarHBondContact O-N 2.93Å; H166-T169 PolarHBondContact O-OG1 3.43Å; M167-T169 PolarHBondContact O-N 3.15Å; M167-T169 VanDerWaalsContact O-N 3.1Å
170	H	74.7	Confident	77.8	Confident	72 Å²	72	76.8 Å²	76.8	33%	0.333	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-47.3	177	-54.7	-60.5	0	0	0	111.2	C150 N152 C153 H166 M167 R168 G172	C150-H170 PolarHBondContact SG-NE2 2.87Å; N152-H170 HydrophobicContact CB-CB 4.18Å; C153-H170 PolarHBondContact SG-NE2 3.19Å; H166-H170 AromaticContact CE1-NE2 3.42Å; H166-H170 PolarHBondContact CE1-NE2 3.23Å; H166-H170 AromaticContact NE2-CD2 3.89Å; H166-H170 AromaticContact NE2-NE2 3.08Å; H166-H170 PolarHBondContact NE2-NE2 2.93Å; M167-H170 PolarHBondContact O-N 3.41Å; R168-H170 VanDerWaalsContact C-N 3.3Å; H170-G172 PolarHBondContact O-N 2.92Å
171	T	72.7	Confident	78.1	Confident	81 Å²	81	76 Å²	76	50%	0.497	38%	0.382	S	S	.	.	S	Bend	trans	-70.7	-11.2	176	66.8	0	0	0	0	113.4	M167 E173	M167-T171 PolarHBondContact O-N 3.45Å; T171-E173 PolarHBondContact O-N 3.46Å; T171-E173 VanDerWaalsContact O-N 3.15Å; T171-E173 WeakPolarHBondContact OG1-CG 3.31Å; T171-E173 PolarHBondContact OG1-OE1 2.86Å
172	G	75.5	Confident	78.2	Confident	42 Å²	42	76.4 Å²	76.4	43%	0.433	40%	0.395	S	S	.	.			trans	71.3	0.8	-178.3	0	0	0	0	0	114.7	R168 H170 K174	R168-G172 PolarHBondContact O-N 3.39Å; H170-G172 PolarHBondContact O-N 2.92Å; G172-K174 PolarHBondContact O-N 3.03Å
173	E	74.3	Confident	78.3	Confident	99 Å²	99	82.1 Å²	82.1	46%	0.463	41%	0.413	S	S	.	.			trans	-53.4	126.8	-175	-87	172.7	-135.2	0	0	113.7	R168 T171 A186	R168-E173 HydrophobicContact CB-CB 4.25Å; R168-E173 HydrophobicContact CG-CB 4.04Å; R168-E173 IonicContact NE-OE2 2.97Å; T171-E173 PolarHBondContact O-N 3.46Å; T171-E173 VanDerWaalsContact O-N 3.15Å; T171-E173 WeakPolarHBondContact OG1-CG 3.31Å; T171-E173 PolarHBondContact OG1-OE1 2.86Å; E173-A186 WeakPolarHBondContact O-CB 3.23Å
174	K	83.1	Confident	78.9	Confident	120 Å²	120	87.5 Å²	87.5	52%	0.522	43%	0.431	S	S	.	.			trans	-128.4	76.3	175.5	-69.7	157.8	-173	166.3	0	110.1	G172 Y176 R184 F185	G172-K174 PolarHBondContact O-N 3.03Å; K174-Y176 VanDerWaalsContact C-N 3.3Å; K174-Y176 PolarHBondContact O-N 3.12Å; K174-R184 HydrophobicContact CB-CB 3.53Å; K174-R184 HydrophobicContact CD-CB 4.47Å; K174-R184 WeakPolarHBondContact O-CB 2.98Å; K174-R184 PolarHBondContact O-NE 2.61Å; K174-R184 PolarHBondContact O-NH2 3.3Å; K174-F185 CarbonylContact C-O 3.54Å; K174-F185 VanDerWaalsContact C-O 3.31Å; K174-F185 WeakPolarHBondContact CA-O 3.01Å
175	P	81.9	Confident	79.3	Confident	55 Å²	55	81 Å²	81	36%	0.357	41%	0.408	S	S	.	.			trans	-60.2	-40.4	-175.5	-24.6	35.5	0	0	0	112.5	A177 R184	P175-A177 PolarHBondContact O-N 3.23Å; P175-R184 PolarHBondContact O-NH2 2.97Å
176	Y	85.6	Confident	79.5	Confident	71 Å²	71	77.4 Å²	77.4	28%	0.278	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	94.2	-167.4	-52.2	-76.7	0	0	0	111.8	K174 R184 F185 A186 L187 R188	K174-Y176 VanDerWaalsContact C-N 3.3Å; K174-Y176 PolarHBondContact O-N 3.12Å; Y176-R184 CarbonylContact O-C 3.52Å; Y176-R184 WeakPolarHBondContact O-CA 3.43Å; Y176-F185 WeakPolarHBondContact CD2-O 3.26Å; Y176-F185 PolarHBondContact N-O 3.4Å; Y176-F185 VanDerWaalsContact N-O 3.09Å; Y176-F185 PolarHBondContact O-N 2.96Å; Y176-A186 WeakPolarHBondContact CE2-O 3.42Å; Y176-L187 VanDerWaalsContact CD2-C 3.41Å; Y176-R188 HydrophobicContact CD1-CB 3.92Å; Y176-R188 HydrophobicContact CD1-CG 4.29Å; Y176-R188 VanDerWaalsContact CD2-N 3.33Å; Y176-R188 HydrophobicContact CE1-CB 3.76Å; Y176-R188 HydrophobicContact CE1-CG 4.3Å; Y176-R188 HydrophobicContact CE2-CB 4.39Å; Y176-R188 HydrophobicContact CG-CB 4.32Å
177	A	83.7	Confident	79.8	Confident	52 Å²	52	78.4 Å²	78.4	43%	0.43	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	157.2	170.8	0	0	0	0	0	112.2	P175 R184 L191	P175-A177 PolarHBondContact O-N 3.23Å; A177-R184 HydrophobicContact CB-CG 4.05Å; A177-L191 WeakPolarHBondContact O-CD1 3.44Å; A177-L191 WeakPolarHBondContact O-CD2 3.35Å
178	C	82.2	Confident	80.3	Confident	13 Å²	13	85.5 Å²	85.5	9%	0.088	43%	0.432	C	S	.	.			trans	-94.4	144.5	169.4	-166.2	0	0	0	0	110.5	Y180 C181 R183 L191 H198	C178-Y180 VanDerWaalsContact C-N 3.3Å; C178-C181 WeakPolarHBondContact CB-O 3.2Å; C178-C181 VanDerWaalsContact O-O 3.05Å; C178-R183 PolarHBondContact N-O 3.09Å; C178-R183 VanDerWaalsContact N-O 3.08Å; C178-L191 HydrophobicContact CB-CD1 3.69Å; C178-H198 VanDerWaalsContact SG-CD2 3.58Å; C178-H198 PolarHBondContact SG-NE2 3.18Å
179	S	82.1	Confident	80.4	Confident	101 Å²	101	87.4 Å²	87.4	71%	0.706	45%	0.452	S	S	*	.	S	Bend	trans	-74.6	-19.5	176.9	49.3	0	0	0	0	113.5
180	Y	75.6	Confident	80.7	Confident	138 Å²	138	84.6 Å²	84.6	54%	0.541	44%	0.435	S	S	.	.	S	Bend	trans	-107.2	-5.4	-174.1	-54.2	-76.9	0	0	0	113.7	C178 H198	C178-Y180 VanDerWaalsContact C-N 3.3Å; Y180-H198 HydrophobicContact CD2-CB 3.94Å; Y180-H198 AromaticContact CD2-CD2 3.92Å; Y180-H198 HydrophobicContact CG-CB 3.99Å
181	C	77.2	Confident	81.3	Confident	38 Å²	38	82.4 Å²	82.4	26%	0.257	43%	0.426	S	S	.	.	S	Bend	trans	-169.9	165.8	167.9	69.1	0	0	0	0	111.8	C178 R183 H194 H198	C178-C181 WeakPolarHBondContact CB-O 3.2Å; C178-C181 VanDerWaalsContact O-O 3.05Å; C181-R183 PolarHBondContact O-N 3.22Å; C181-H194 PolarHBondContact SG-NE2 2.84Å; C181-H194 VanDerWaalsContact SG-NE2 3.4Å; C181-H198 PolarHBondContact SG-CE1 3.29Å; C181-H198 PolarHBondContact SG-NE2 2.84Å; C181-H198 VanDerWaalsContact SG-NE2 3.43Å
182	D	79.7	Confident	81.7	Confident	159 Å²	159	86.8 Å²	86.8	85%	0.85	44%	0.438	S	S	*	.	S	Bend	trans	-66.1	7.7	-173.6	-42.3	-77.8	0	0	0	115.7	R184	D182-R184 PolarHBondContact O-N 2.96Å
183	R	79.4	Confident	81.8	Confident	160 Å²	160	90.9 Å²	90.9	60%	0.604	44%	0.44	S	S	*	.			trans	-74	114.9	-178.1	-70.6	-175.5	176.2	-179.7	3.3	110.9	C178 C181 F185	C178-R183 PolarHBondContact N-O 3.09Å; C178-R183 VanDerWaalsContact N-O 3.08Å; C181-R183 PolarHBondContact O-N 3.22Å; R183-F185 HydrophobicContact CB-CE2 3.71Å; R183-F185 HydrophobicContact CB-CZ 3.88Å; R183-F185 WeakPolarHBondContact O-CD2 2.91Å; R183-F185 WeakPolarHBondContact O-CE2 3.13Å
184	R	87.1	Confident	82.1	Confident	145 Å²	145	86.9 Å²	86.9	55%	0.547	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	144.2	174.4	-51.9	-174.2	67.1	147.1	8.9	112	K174 P175 Y176 A177 D182	K174-R184 HydrophobicContact CB-CB 3.53Å; K174-R184 HydrophobicContact CD-CB 4.47Å; K174-R184 WeakPolarHBondContact O-CB 2.98Å; K174-R184 PolarHBondContact O-NE 2.61Å; K174-R184 PolarHBondContact O-NH2 3.3Å; P175-R184 PolarHBondContact O-NH2 2.97Å; Y176-R184 CarbonylContact O-C 3.52Å; Y176-R184 WeakPolarHBondContact O-CA 3.43Å; A177-R184 HydrophobicContact CB-CG 4.05Å; D182-R184 PolarHBondContact O-N 2.96Å
185	F	83.4	Confident	81.7	Confident	40 Å²	40	82.6 Å²	82.6	18%	0.175	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	150.1	-175.6	-60	-90.7	0	0	0	112	K174 Y176 R183 L187 T190 L191 H194	K174-F185 CarbonylContact C-O 3.54Å; K174-F185 VanDerWaalsContact C-O 3.31Å; K174-F185 WeakPolarHBondContact CA-O 3.01Å; Y176-F185 WeakPolarHBondContact CD2-O 3.26Å; Y176-F185 PolarHBondContact N-O 3.4Å; Y176-F185 VanDerWaalsContact N-O 3.09Å; Y176-F185 PolarHBondContact O-N 2.96Å; R183-F185 HydrophobicContact CB-CE2 3.71Å; R183-F185 HydrophobicContact CB-CZ 3.88Å; R183-F185 WeakPolarHBondContact O-CD2 2.91Å; R183-F185 WeakPolarHBondContact O-CE2 3.13Å; F185-L187 VanDerWaalsContact C-N 3.32Å; F185-T190 HydrophobicContact CD1-CG2 3.57Å; F185-T190 HydrophobicContact CE1-CG2 4.12Å; F185-T190 HydrophobicContact CG-CG2 4.43Å; F185-L191 HydrophobicContact CB-CB 4.4Å; F185-L191 HydrophobicContact CD2-CB 4.11Å; F185-L191 HydrophobicContact CD2-CD1 3.97Å; F185-L191 HydrophobicContact CE2-CD1 4.22Å; F185-L191 HydrophobicContact CG-CB 4.41Å; F185-H194 HydrophobicContact CE1-CB 4.23Å; F185-H194 HydrophobicContact CE2-CB 4.05Å; F185-H194 AromaticContact CE2-CD2 3.25Å; F185-H194 WeakPolarHBondContact CE2-CD2 3.45Å; F185-H194 AromaticContact CE2-CG 3.85Å; F185-H194 HydrophobicContact CZ-CB 3.66Å; F185-H194 AromaticContact CZ-CD2 3.28Å; F185-H194 WeakPolarHBondContact CZ-CD2 3.15Å; F185-H194 AromaticContact CZ-CG 3.47Å; F185-H194 VanDerWaalsContact CZ-CG 3.47Å
186	A	82.8	Confident	81.1	Confident	32 Å²	32	81.1 Å²	81.1	26%	0.264	40%	0.401	S	S	.	.	S	Bend	trans	-77.6	-13.7	176.7	0	0	0	0	0	113.9	R168 E173 Y176	R168-A186 HydrophobicContact CB-CB 4.23Å; R168-A186 PolarHBondContact NH1-O 2.76Å; E173-A186 WeakPolarHBondContact O-CB 3.23Å; Y176-A186 WeakPolarHBondContact CE2-O 3.42Å
187	L	83.8	Confident	80.2	Confident	46 Å²	46	81.8 Å²	81.8	24%	0.241	41%	0.413	C	S	.	.	S	Bend	trans	-138.8	131.8	-174.6	-58	175.8	0	0	0	112.2	R165 Y176 F185 S189 T190 L191	R165-L187 HydrophobicContact CG-CD2 3.59Å; Y176-L187 VanDerWaalsContact CD2-C 3.41Å; F185-L187 VanDerWaalsContact C-N 3.32Å; L187-S189 PolarHBondContact O-N 3.02Å; L187-T190 PolarHBondContact O-N 2.92Å; L187-L191 PolarHBondContact O-N 3.34Å; L187-L191 VanDerWaalsContact O-N 3.1Å
188	R	85.3	Confident	79.5	Confident	187 Å²	187	82.6 Å²	82.6	71%	0.706	41%	0.408	S	S	*	.	H	α-helix	trans	-57.1	-34.1	176.5	-167.7	174.8	175.3	102.8	-5.8	113.2	Y176 T190 L191 K192	Y176-R188 HydrophobicContact CD1-CB 3.92Å; Y176-R188 HydrophobicContact CD1-CG 4.29Å; Y176-R188 VanDerWaalsContact CD2-N 3.33Å; Y176-R188 HydrophobicContact CE1-CB 3.76Å; Y176-R188 HydrophobicContact CE1-CG 4.3Å; Y176-R188 HydrophobicContact CE2-CB 4.39Å; Y176-R188 HydrophobicContact CG-CB 4.32Å; R188-T190 VanDerWaalsContact C-N 3.33Å; R188-T190 PolarHBondContact O-N 3.38Å; R188-L191 PolarHBondContact O-N 3.27Å; R188-K192 PolarHBondContact O-N 3.03Å
189	S	83.1	Confident	78.5	Confident	87 Å²	87	85.6 Å²	85.6	61%	0.608	42%	0.422	S	S	*	.	H	α-helix	trans	-67.1	-31.4	175.1	56.7	0	0	0	0	113.4	L187 R193	L187-S189 PolarHBondContact O-N 3.02Å; S189-R193 PolarHBondContact O-N 3.49Å
190	T	82.6	Confident	77.1	Confident	39 Å²	39	84.9 Å²	84.9	24%	0.239	42%	0.422	C	S	.	.	H	α-helix	trans	-78.6	-35.5	176.7	-53.2	0	0	0	0	110.7	F185 L187 R188 H194	F185-T190 HydrophobicContact CD1-CG2 3.57Å; F185-T190 HydrophobicContact CE1-CG2 4.12Å; F185-T190 HydrophobicContact CG-CG2 4.43Å; L187-T190 PolarHBondContact O-N 2.92Å; R188-T190 VanDerWaalsContact C-N 3.33Å; R188-T190 PolarHBondContact O-N 3.38Å; T190-H194 PolarHBondContact O-N 3.4Å; T190-H194 VanDerWaalsContact O-N 3.16Å
191	L	86.2	Confident	75.7	Confident	26 Å²	26	85.1 Å²	85.1	14%	0.136	43%	0.428	C	S	.	.	H	α-helix	trans	-60.1	-51.8	167.6	172.6	62.9	0	0	0	111.6	A177 C178 F185 L187 R188 R193 H194 C195	A177-L191 WeakPolarHBondContact O-CD1 3.44Å; A177-L191 WeakPolarHBondContact O-CD2 3.35Å; C178-L191 HydrophobicContact CB-CD1 3.69Å; F185-L191 HydrophobicContact CB-CB 4.4Å; F185-L191 HydrophobicContact CD2-CB 4.11Å; F185-L191 HydrophobicContact CD2-CD1 3.97Å; F185-L191 HydrophobicContact CE2-CD1 4.22Å; F185-L191 HydrophobicContact CG-CB 4.41Å; L187-L191 PolarHBondContact O-N 3.34Å; L187-L191 VanDerWaalsContact O-N 3.1Å; R188-L191 PolarHBondContact O-N 3.27Å; L191-R193 VanDerWaalsContact C-N 3.26Å; L191-R193 PolarHBondContact O-N 3.4Å; L191-H194 CarbonylContact O-C 3.39Å; L191-H194 WeakPolarHBondContact O-CA 3.46Å; L191-H194 WeakPolarHBondContact O-CB 3.17Å; L191-H194 PolarHBondContact O-N 3.24Å; L191-C195 PolarHBondContact O-N 3.16Å; L191-C195 PolarHBondContact O-SG 3.2Å
192	K	81.7	Confident	74.4	Confident	173 Å²	173	89.4 Å²	89.4	75%	0.752	44%	0.442	S	S	*	.	H	α-helix	trans	-56.4	-40.6	-179	-173.9	170.2	-179.2	173.7	0	112.1	R188 H194 C195 G196	R188-K192 PolarHBondContact O-N 3.03Å; K192-H194 VanDerWaalsContact C-N 3.28Å; K192-H194 PolarHBondContact O-N 3.45Å; K192-C195 PolarHBondContact O-N 2.91Å; K192-G196 PolarHBondContact O-N 3Å
193	R	76.8	Confident	73.5	Confident	128 Å²	128	86.2 Å²	86.2	48%	0.483	43%	0.432	S	S	.	.	H	α-helix	trans	-67.4	-23.6	173.9	-171.5	178.4	62.1	175.6	-4.6	113.7	S189 L191	S189-R193 PolarHBondContact O-N 3.49Å; L191-R193 VanDerWaalsContact C-N 3.26Å; L191-R193 PolarHBondContact O-N 3.4Å
194	H	80.2	Confident	72.5	Confident	15 Å²	15	83.3 Å²	83.3	7%	0.069	42%	0.422	C	S	.	.	H	α-helix	trans	-85.1	-32.6	173.7	175.2	44.1	0	0	0	113	C181 F185 T190 L191 K192 G196 T197 H198	C181-H194 PolarHBondContact SG-NE2 2.84Å; C181-H194 VanDerWaalsContact SG-NE2 3.4Å; F185-H194 HydrophobicContact CE1-CB 4.23Å; F185-H194 HydrophobicContact CE2-CB 4.05Å; F185-H194 AromaticContact CE2-CD2 3.25Å; F185-H194 WeakPolarHBondContact CE2-CD2 3.45Å; F185-H194 AromaticContact CE2-CG 3.85Å; F185-H194 HydrophobicContact CZ-CB 3.66Å; F185-H194 AromaticContact CZ-CD2 3.28Å; F185-H194 WeakPolarHBondContact CZ-CD2 3.15Å; F185-H194 AromaticContact CZ-CG 3.47Å; F185-H194 VanDerWaalsContact CZ-CG 3.47Å; T190-H194 PolarHBondContact O-N 3.4Å; T190-H194 VanDerWaalsContact O-N 3.16Å; L191-H194 CarbonylContact O-C 3.39Å; L191-H194 WeakPolarHBondContact O-CA 3.46Å; L191-H194 WeakPolarHBondContact O-CB 3.17Å; L191-H194 PolarHBondContact O-N 3.24Å; K192-H194 VanDerWaalsContact C-N 3.28Å; K192-H194 PolarHBondContact O-N 3.45Å; H194-G196 PolarHBondContact O-N 2.96Å; H194-T197 PolarHBondContact CE1-OG1 2.83Å; H194-T197 PolarHBondContact ND1-OG1 2.91Å; H194-T197 PolarHBondContact O-N 2.84Å; H194-T197 PolarHBondContact O-OG1 3.21Å; H194-H198 AromaticContact CD2-NE2 3.94Å; H194-H198 AromaticContact CE1-CD2 3.82Å; H194-H198 AromaticContact CE1-CE1 3.86Å; H194-H198 AromaticContact CE1-NE2 3.19Å; H194-H198 PolarHBondContact CE1-NE2 3.27Å; H194-H198 AromaticContact NE2-CD2 3.88Å; H194-H198 AromaticContact NE2-CE1 3.99Å; H194-H198 AromaticContact NE2-NE2 3.09Å; H194-H198 PolarHBondContact NE2-NE2 2.78Å
195	C	75.4	Confident	70.8	Confident	29 Å²	29	84.2 Å²	84.2	20%	0.196	43%	0.425	C	S	.	.	H	α-helix	trans	-59.4	-37.5	172.4	-60.8	0	0	0	0	111.1	L191 K192 T197 H198 I199	L191-C195 PolarHBondContact O-N 3.16Å; L191-C195 PolarHBondContact O-SG 3.2Å; K192-C195 PolarHBondContact O-N 2.91Å; C195-T197 PolarHBondContact O-N 3.29Å; C195-H198 PolarHBondContact O-N 3.47Å; C195-I199 PolarHBondContact O-N 2.74Å
196	G	69.3	Low	69.9	Low	24 Å²	24	82.3 Å²	82.3	25%	0.247	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	20.2	166.9	0	0	0	0	0	116	K192 H194	K192-G196 PolarHBondContact O-N 3Å; H194-G196 PolarHBondContact O-N 2.96Å
197	T	67.7	Low	69	Low	86 Å²	86	91.5 Å²	91.5	53%	0.528	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116	-7	160.6	66.4	0	0	0	0	113.3	H194 C195	H194-T197 PolarHBondContact CE1-OG1 2.83Å; H194-T197 PolarHBondContact ND1-OG1 2.91Å; H194-T197 PolarHBondContact O-N 2.84Å; H194-T197 PolarHBondContact O-OG1 3.21Å; C195-T197 PolarHBondContact O-N 3.29Å
198	H	67.4	Low	68.2	Low	69 Å²	69	93.5 Å²	93.5	32%	0.319	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-50	172.6	-65.4	-70.3	0	0	0	110.1	C178 Y180 C181 H194 C195 A200	C178-H198 VanDerWaalsContact SG-CD2 3.58Å; C178-H198 PolarHBondContact SG-NE2 3.18Å; Y180-H198 HydrophobicContact CD2-CB 3.94Å; Y180-H198 AromaticContact CD2-CD2 3.92Å; Y180-H198 HydrophobicContact CG-CB 3.99Å; C181-H198 PolarHBondContact SG-CE1 3.29Å; C181-H198 PolarHBondContact SG-NE2 2.84Å; C181-H198 VanDerWaalsContact SG-NE2 3.43Å; H194-H198 AromaticContact CD2-NE2 3.94Å; H194-H198 AromaticContact CE1-CD2 3.82Å; H194-H198 AromaticContact CE1-CE1 3.86Å; H194-H198 AromaticContact CE1-NE2 3.19Å; H194-H198 PolarHBondContact CE1-NE2 3.27Å; H194-H198 AromaticContact NE2-CD2 3.88Å; H194-H198 AromaticContact NE2-CE1 3.99Å; H194-H198 AromaticContact NE2-NE2 3.09Å; H194-H198 PolarHBondContact NE2-NE2 2.78Å; C195-H198 PolarHBondContact O-N 3.47Å; H198-A200 PolarHBondContact O-N 3.3Å
199	I	62.4	Low	67.1	Low	76 Å²	76	87.2 Å²	87.2	39%	0.39	44%	0.443	S	S	.	.	S	Bend	trans	-68.2	125.4	168.2	-50.5	174.8	0	0	0	107.4	C195 E201	C195-I199 PolarHBondContact O-N 2.74Å; I199-E201 HydrophobicContact CG2-CB 3.89Å; I199-E201 HydrophobicContact CG2-CG 3.92Å; I199-E201 PolarHBondContact O-N 3.38Å; I199-E201 VanDerWaalsContact O-N 3.14Å
200	A	52.7	Low	65.7	Low	85 Å²	85	89.2 Å²	89.2	70%	0.702	44%	0.441	S	S	*	.	S	Bend	trans	-68.1	-10.9	-175.6	0	0	0	0	0	114	H198 K202	H198-A200 PolarHBondContact O-N 3.3Å; A200-K202 VanDerWaalsContact C-N 3.31Å; A200-K202 PolarHBondContact O-N 3.25Å
201	E	45.7	Very low	64.3	Low	144 Å²	144	93.5 Å²	93.5	67%	0.673	46%	0.456	S	S	*	.			trans	-59.1	84.1	169.9	-70.7	-160.5	110	0	0	112.7	I199 S203	I199-E201 HydrophobicContact CG2-CB 3.89Å; I199-E201 HydrophobicContact CG2-CG 3.92Å; I199-E201 PolarHBondContact O-N 3.38Å; I199-E201 VanDerWaalsContact O-N 3.14Å; E201-S203 PolarHBondContact O-N 2.86Å; E201-S203 PolarHBondContact O-OG 3.43Å
202	K	49.3	Very low	62.8	Low	127 Å²	127	93.2 Å²	93.2	55%	0.552	46%	0.46	S	S	*	.			trans	-74	80.9	166.9	-65.4	144.1	-174	154.7	0	109	A200 Y204 G212	A200-K202 VanDerWaalsContact C-N 3.31Å; A200-K202 PolarHBondContact O-N 3.25Å; K202-Y204 CarbonylContact O-C 3.48Å; K202-Y204 PolarHBondContact O-N 2.91Å; K202-G212 VanDerWaalsContact CB-CA 3.42Å
203	S	60.5	Low	62.2	Low	92 Å²	92	86.6 Å²	86.6	64%	0.643	43%	0.432	S	S	*	.	S	Bend	trans	-54.9	-10.2	-170.3	-26.6	0	0	0	0	115.8	E201	E201-S203 PolarHBondContact O-N 2.86Å; E201-S203 PolarHBondContact O-OG 3.43Å
204	Y	59.5	Low	61.5	Low	100 Å²	100	83.2 Å²	83.2	39%	0.392	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	80.3	174.7	-59.9	-75.8	0	0	0	110.7	K202 L213 C215 A216 L219	K202-Y204 CarbonylContact O-C 3.48Å; K202-Y204 PolarHBondContact O-N 2.91Å; Y204-L213 PolarHBondContact N-O 2.94Å; Y204-L213 PolarHBondContact O-N 3.21Å; Y204-C215 VanDerWaalsContact CD2-C 3.45Å; Y204-C215 VanDerWaalsContact CD2-CA 3.42Å; Y204-A216 HydrophobicContact CD1-CB 3.94Å; Y204-A216 HydrophobicContact CE1-CB 3.62Å; Y204-A216 HydrophobicContact CE2-CB 4.48Å; Y204-L219 HydrophobicContact CD1-CD2 4.39Å
205	R	52.2	Low	61	Low	163 Å²	163	83.4 Å²	83.4	62%	0.615	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.5	130.2	174.1	-158.5	174.8	-174.8	-176.5	-5.5	110.4	F210	R205-F210 VanDerWaalsContact CG-O 3.27Å; R205-F210 WeakPolarHBondContact CG-O 3.38Å; R205-F210 PolarHBondContact NE-O 3.29Å
206	C	64	Low	60.9	Low	0 Å²	0	83.8 Å²	83.8	0%	0	44%	0.437	C	S	.	.			trans	-66.3	133.5	166.1	-178.7	0	0	0	0	110.3	V208 F210 K211 L219 H222 M223 H226	C206-V208 VanDerWaalsContact C-N 3.35Å; C206-V208 PolarHBondContact SG-N 3.16Å; C206-V208 VanDerWaalsContact SG-N 3.37Å; C206-F210 WeakPolarHBondContact O-CA 3.37Å; C206-F210 PolarHBondContact O-N 3.03Å; C206-F210 VanDerWaalsContact O-N 3.1Å; C206-K211 PolarHBondContact N-O 2.88Å; C206-L219 HydrophobicContact CB-CD1 4.13Å; C206-H222 WeakPolarHBondContact CB-NE2 3.23Å; C206-H222 PolarHBondContact SG-NE2 3.46Å; C206-H222 VanDerWaalsContact SG-NE2 3.41Å; C206-M223 VanDerWaalsContact SG-SD 3.61Å; C206-H226 PolarHBondContact SG-CD2 2.82Å; C206-H226 PolarHBondContact SG-NE2 3.42Å
207	R	63.5	Low	61.2	Low	225 Å²	225	86.1 Å²	86.1	85%	0.849	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-21.6	176.4	-66.6	-171.9	177.5	-168.5	-1.9	114.1
208	V	66.1	Low	61.5	Low	89 Å²	89	84.6 Å²	84.6	54%	0.539	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-39.3	-172.7	-175.3	0	0	0	0	113.2	C206 M223 H226	C206-V208 VanDerWaalsContact C-N 3.35Å; C206-V208 PolarHBondContact SG-N 3.16Å; C206-V208 VanDerWaalsContact SG-N 3.37Å; V208-M223 HydrophobicContact CG2-CE 4.19Å; V208-H226 HydrophobicContact CB-CB 4.33Å; V208-H226 HydrophobicContact CG1-CB 4.26Å; V208-H226 HydrophobicContact CG2-CB 4.19Å
209	C	62.8	Low	61.9	Low	54 Å²	54	82.9 Å²	82.9	37%	0.365	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.5	19.5	177.2	72.5	0	0	0	0	114	K211 H222 H226	C209-K211 PolarHBondContact O-N 2.9Å; C209-H222 VanDerWaalsContact SG-CE1 3.58Å; C209-H222 PolarHBondContact SG-NE2 3.32Å; C209-H222 VanDerWaalsContact SG-NE2 3.38Å; C209-H226 WeakPolarHBondContact CB-CE1 3.1Å; C209-H226 PolarHBondContact SG-CE1 3.3Å; C209-H226 PolarHBondContact SG-NE2 3.08Å
210	F	53.1	Low	62.5	Low	129 Å²	129	88 Å²	88	57%	0.566	45%	0.447	S	S	*	.			trans	55.2	7.2	174.4	-59.8	-68.4	0	0	0	117	R205 C206 G212	R205-F210 VanDerWaalsContact CG-O 3.27Å; R205-F210 WeakPolarHBondContact CG-O 3.38Å; R205-F210 PolarHBondContact NE-O 3.29Å; C206-F210 WeakPolarHBondContact O-CA 3.37Å; C206-F210 PolarHBondContact O-N 3.03Å; C206-F210 VanDerWaalsContact O-N 3.1Å; F210-G212 PolarHBondContact O-N 2.99Å; F210-G212 VanDerWaalsContact O-N 3.15Å
211	K	54.2	Low	63.3	Low	129 Å²	129	85.6 Å²	85.6	56%	0.561	43%	0.427	S	S	*	.			trans	-69.7	109.6	-178.5	-169.5	162.9	-167.1	147	0	110.9	C206 C209 L213	C206-K211 PolarHBondContact N-O 2.88Å; C209-K211 PolarHBondContact O-N 2.9Å; K211-L213 HydrophobicContact CG-CD2 4.41Å
212	G	54.6	Low	64.6	Low	21 Å²	21	79.8 Å²	79.8	22%	0.216	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	137.3	171.3	0	0	0	0	0	112.9	K202 F210	K202-G212 VanDerWaalsContact CB-CA 3.42Å; F210-G212 PolarHBondContact O-N 2.99Å; F210-G212 VanDerWaalsContact O-N 3.15Å
213	L	68	Low	65.6	Low	33 Å²	33	76 Å²	76	17%	0.173	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	155.4	-175.6	-62	167.3	0	0	0	111.2	Y204 K211 L219 H222	Y204-L213 PolarHBondContact N-O 2.94Å; Y204-L213 PolarHBondContact O-N 3.21Å; K211-L213 HydrophobicContact CG-CD2 4.41Å; L213-L219 HydrophobicContact CD1-CB 4.2Å; L213-L219 HydrophobicContact CD1-CD1 4.07Å; L213-H222 HydrophobicContact CD1-CB 3.53Å
214	S	63.3	Low	66.1	Low	58 Å²	58	74.4 Å²	74.4	41%	0.406	37%	0.365	S	S	.	.	S	Bend	trans	-86.5	-5	-169.2	56.3	0	0	0	0	115.8
215	C	69.2	Low	66.3	Low	19 Å²	19	72.4 Å²	72.4	13%	0.128	36%	0.36	C	S	.	.	S	Bend	trans	-161.8	151.9	169.1	59.1	0	0	0	0	113.2	Y204 S217 T218 L219	Y204-C215 VanDerWaalsContact CD2-C 3.45Å; Y204-C215 VanDerWaalsContact CD2-CA 3.42Å; C215-S217 PolarHBondContact O-N 3.11Å; C215-S217 PolarHBondContact SG-OG 2.99Å; C215-T218 PolarHBondContact N-OG1 3.06Å; C215-T218 WeakPolarHBondContact O-CA 3.38Å; C215-T218 PolarHBondContact O-N 3.02Å; C215-T218 PolarHBondContact O-OG1 3.32Å; C215-L219 PolarHBondContact O-N 3.1Å; C215-L219 VanDerWaalsContact O-N 3.08Å
216	A	74.4	Confident	66.9	Low	37 Å²	37	67.7 Å²	67.7	31%	0.306	35%	0.345	S	S	.	.	H	α-helix	trans	-51.2	-31.9	177.7	0	0	0	0	0	114.4	Y204 L219 R220	Y204-A216 HydrophobicContact CD1-CB 3.94Å; Y204-A216 HydrophobicContact CE1-CB 3.62Å; Y204-A216 HydrophobicContact CE2-CB 4.48Å; A216-L219 PolarHBondContact O-N 3.32Å; A216-R220 PolarHBondContact O-N 3.45Å
217	S	75.4	Confident	67	Low	72 Å²	72	71.9 Å²	71.9	50%	0.503	37%	0.367	S	S	.	.	H	α-helix	trans	-72.4	-28.9	175.6	53.3	0	0	0	0	113.6	C215 A221	C215-S217 PolarHBondContact O-N 3.11Å; C215-S217 PolarHBondContact SG-OG 2.99Å; S217-A221 WeakPolarHBondContact O-CB 3.32Å; S217-A221 PolarHBondContact O-N 3.04Å
218	T	73.9	Confident	66.7	Low	54 Å²	54	66.6 Å²	66.6	33%	0.331	36%	0.356	S	S	.	.	H	α-helix	trans	-77.1	-32.2	168.5	51.2	0	0	0	0	112.1	C215 A221 H222	C215-T218 PolarHBondContact N-OG1 3.06Å; C215-T218 WeakPolarHBondContact O-CA 3.38Å; C215-T218 PolarHBondContact O-N 3.02Å; C215-T218 PolarHBondContact O-OG1 3.32Å; T218-A221 CarbonylContact O-C 3.58Å; T218-A221 PolarHBondContact O-N 2.97Å; T218-H222 VanDerWaalsContact O-CB 3.26Å; T218-H222 WeakPolarHBondContact O-CB 3.39Å; T218-H222 PolarHBondContact O-N 3.23Å
219	L	75.4	Confident	66.2	Low	33 Å²	33	67.2 Å²	67.2	17%	0.173	35%	0.353	C	S	.	.	H	α-helix	trans	-63.6	-48.3	170.1	-179.1	59.7	0	0	0	111.6	Y204 C206 L213 C215 A216 A221 H222 M223	Y204-L219 HydrophobicContact CD1-CD2 4.39Å; C206-L219 HydrophobicContact CB-CD1 4.13Å; L213-L219 HydrophobicContact CD1-CB 4.2Å; L213-L219 HydrophobicContact CD1-CD1 4.07Å; C215-L219 PolarHBondContact O-N 3.1Å; C215-L219 VanDerWaalsContact O-N 3.08Å; A216-L219 PolarHBondContact O-N 3.32Å; L219-A221 PolarHBondContact O-N 3.3Å; L219-H222 CarbonylContact O-C 3.5Å; L219-H222 WeakPolarHBondContact O-CA 3.49Å; L219-H222 WeakPolarHBondContact O-CB 3.41Å; L219-H222 PolarHBondContact O-N 2.89Å; L219-M223 HydrophobicContact CD1-CG 4.04Å; L219-M223 HydrophobicContact CD1-SD 3.86Å; L219-M223 HydrophobicContact CG-CG 4.27Å; L219-M223 WeakPolarHBondContact O-CG 3.29Å; L219-M223 PolarHBondContact O-N 3.31Å
220	R	75.3	Confident	66.3	Low	185 Å²	185	66 Å²	66	70%	0.698	35%	0.345	S	S	*	.	H	α-helix	trans	-63.4	-20.6	173.4	-73.2	-169.7	-73.8	170.3	-7.2	114.5	A216 R224	A216-R220 PolarHBondContact O-N 3.45Å; R220-R224 PolarHBondContact O-NE 2.83Å
221	A	69.8	Low	66.8	Low	34 Å²	34	62.3 Å²	62.3	28%	0.281	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-9.1	170.3	0	0	0	0	0	113.4	S217 T218 L219	S217-A221 WeakPolarHBondContact O-CB 3.32Å; S217-A221 PolarHBondContact O-N 3.04Å; T218-A221 CarbonylContact O-C 3.58Å; T218-A221 PolarHBondContact O-N 2.97Å; L219-A221 PolarHBondContact O-N 3.3Å
222	H	73.2	Confident	67.6	Low	21 Å²	21	59.9 Å²	59.9	10%	0.097	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-34.5	179.1	170.4	63.5	0	0	0	112.6	C206 C209 L213 T218 L219 R224 I225 H226	C206-H222 WeakPolarHBondContact CB-NE2 3.23Å; C206-H222 PolarHBondContact SG-NE2 3.46Å; C206-H222 VanDerWaalsContact SG-NE2 3.41Å; C209-H222 VanDerWaalsContact SG-CE1 3.58Å; C209-H222 PolarHBondContact SG-NE2 3.32Å; C209-H222 VanDerWaalsContact SG-NE2 3.38Å; L213-H222 HydrophobicContact CD1-CB 3.53Å; T218-H222 VanDerWaalsContact O-CB 3.26Å; T218-H222 WeakPolarHBondContact O-CB 3.39Å; T218-H222 PolarHBondContact O-N 3.23Å; L219-H222 CarbonylContact O-C 3.5Å; L219-H222 WeakPolarHBondContact O-CA 3.49Å; L219-H222 WeakPolarHBondContact O-CB 3.41Å; L219-H222 PolarHBondContact O-N 2.89Å; H222-R224 PolarHBondContact O-N 3.28Å; H222-I225 WeakPolarHBondContact O-CB 3.4Å; H222-I225 WeakPolarHBondContact O-CG1 3.41Å; H222-I225 PolarHBondContact O-N 3.03Å; H222-H226 AromaticContact CD2-NE2 3.35Å; H222-H226 PolarHBondContact CD2-NE2 2.83Å; H222-H226 AromaticContact CE1-NE2 2.87Å; H222-H226 PolarHBondContact CE1-NE2 3.41Å; H222-H226 AromaticContact ND1-NE2 3.91Å; H222-H226 AromaticContact NE2-NE2 2.39Å; H222-H226 PolarHBondContact NE2-NE2 3.48Å
223	M	69	Low	68.3	Low	47 Å²	47	59.2 Å²	59.2	23%	0.232	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-58.2	-29.4	174.2	-67	-51.5	-60.9	0	0	112.2	C206 V208 L219 I225 H226 N227	C206-M223 VanDerWaalsContact SG-SD 3.61Å; V208-M223 HydrophobicContact CG2-CE 4.19Å; L219-M223 HydrophobicContact CD1-CG 4.04Å; L219-M223 HydrophobicContact CD1-SD 3.86Å; L219-M223 HydrophobicContact CG-CG 4.27Å; L219-M223 WeakPolarHBondContact O-CG 3.29Å; L219-M223 PolarHBondContact O-N 3.31Å; M223-I225 PolarHBondContact O-N 3.4Å; M223-H226 WeakPolarHBondContact O-CA 3.31Å; M223-H226 WeakPolarHBondContact O-CB 3.46Å; M223-H226 PolarHBondContact O-N 3.36Å; M223-N227 PolarHBondContact O-N 2.91Å; M223-N227 PolarHBondContact O-OD1 3.26Å
224	R	72.2	Confident	68.2	Low	60 Å²	60	63.4 Å²	63.4	23%	0.226	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-64.7	-0.1	169.9	-69.3	-172.1	-89.2	167.2	-20.4	115.9	R220 H222 E229 Y231	R220-R224 PolarHBondContact O-NE 2.83Å; H222-R224 PolarHBondContact O-N 3.28Å; R224-E229 HydrophobicContact CB-CB 4.08Å; R224-E229 WeakPolarHBondContact CB-O 3.37Å; R224-E229 HydrophobicContact CG-CB 3.69Å; R224-E229 WeakPolarHBondContact CG-OE2 3.31Å; R224-Y231 PolarHBondContact NH1-OH 3.16Å
225	I	62.9	Low	68.2	Low	58 Å²	58	70 Å²	70	30%	0.297	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-90.5	-24.9	167.2	-55.2	-175.7	0	0	0	110.8	H222 M223	H222-I225 WeakPolarHBondContact O-CB 3.4Å; H222-I225 WeakPolarHBondContact O-CG1 3.41Å; H222-I225 PolarHBondContact O-N 3.03Å; M223-I225 PolarHBondContact O-N 3.4Å
226	H	65.3	Low	67.8	Low	64 Å²	64	70.7 Å²	70.7	30%	0.296	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-47	180	-56.8	-58.7	0	0	0	111.5	C206 V208 C209 H222 M223 N228	C206-H226 PolarHBondContact SG-CD2 2.82Å; C206-H226 PolarHBondContact SG-NE2 3.42Å; V208-H226 HydrophobicContact CB-CB 4.33Å; V208-H226 HydrophobicContact CG1-CB 4.26Å; V208-H226 HydrophobicContact CG2-CB 4.19Å; C209-H226 WeakPolarHBondContact CB-CE1 3.1Å; C209-H226 PolarHBondContact SG-CE1 3.3Å; C209-H226 PolarHBondContact SG-NE2 3.08Å; H222-H226 AromaticContact CD2-NE2 3.35Å; H222-H226 PolarHBondContact CD2-NE2 2.83Å; H222-H226 AromaticContact CE1-NE2 2.87Å; H222-H226 PolarHBondContact CE1-NE2 3.41Å; H222-H226 AromaticContact ND1-NE2 3.91Å; H222-H226 AromaticContact NE2-NE2 2.39Å; H222-H226 PolarHBondContact NE2-NE2 3.48Å; M223-H226 WeakPolarHBondContact O-CA 3.31Å; M223-H226 WeakPolarHBondContact O-CB 3.46Å; M223-H226 PolarHBondContact O-N 3.36Å; H226-N228 PolarHBondContact O-N 2.85Å
227	N	64.5	Low	67.4	Low	88 Å²	88	73.9 Å²	73.9	47%	0.471	38%	0.38	S	S	.	.	S	Bend	trans	-67.8	2.5	178.3	-59.8	25	0	0	0	114	M223 E229	M223-N227 PolarHBondContact O-N 2.91Å; M223-N227 PolarHBondContact O-OD1 3.26Å; N227-E229 HydrophobicContact CB-CB 4.3Å; N227-E229 HydrophobicContact CB-CG 3.9Å; N227-E229 VanDerWaalsContact CB-OE1 3.23Å; N227-E229 WeakPolarHBondContact CB-OE1 3.08Å; N227-E229 PolarHBondContact ND2-OE1 2.96Å; N227-E229 PolarHBondContact O-N 3.35Å
228	N	57.3	Low	66.7	Low	114 Å²	114	74.6 Å²	74.6	61%	0.61	38%	0.375	S	S	*	.			trans	52.3	4.8	-170.2	-92.7	-33.2	0	0	0	117.4	H226 S230 R239	H226-N228 PolarHBondContact O-N 2.85Å; N228-S230 PolarHBondContact O-N 3.48Å; N228-S230 PolarHBondContact O-OG 3.43Å; N228-R239 PolarHBondContact O-NH2 3.42Å
229	E	56	Low	66.6	Low	101 Å²	101	78.6 Å²	78.6	47%	0.472	38%	0.384	S	S	.	.			trans	-57.9	70.7	172.2	-77	175.4	-124.2	0	0	113.8	R224 N227	R224-E229 HydrophobicContact CB-CB 4.08Å; R224-E229 WeakPolarHBondContact CB-O 3.37Å; R224-E229 HydrophobicContact CG-CB 3.69Å; R224-E229 WeakPolarHBondContact CG-OE2 3.31Å; N227-E229 HydrophobicContact CB-CB 4.3Å; N227-E229 HydrophobicContact CB-CG 3.9Å; N227-E229 VanDerWaalsContact CB-OE1 3.23Å; N227-E229 WeakPolarHBondContact CB-OE1 3.08Å; N227-E229 PolarHBondContact ND2-OE1 2.96Å; N227-E229 PolarHBondContact O-N 3.35Å
230	S	64.8	Low	66.3	Low	28 Å²	28	78.7 Å²	78.7	20%	0.196	38%	0.383	C	S	.	.			trans	-93.1	144.6	168.9	56.8	0	0	0	0	111.2	N228 E232 R239	N228-S230 PolarHBondContact O-N 3.48Å; N228-S230 PolarHBondContact O-OG 3.43Å; S230-E232 PolarHBondContact O-N 2.88Å; S230-E232 VanDerWaalsContact O-N 3.16Å; S230-R239 WeakPolarHBondContact OG-CB 3.37Å; S230-R239 WeakPolarHBondContact OG-CG 3.48Å; S230-R239 PolarHBondContact OG-NE 2.91Å
231	Y	65.4	Low	65.8	Low	52 Å²	52	77.3 Å²	77.3	20%	0.204	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	110.3	161.4	-53.4	-82.3	0	0	0	108.3	R224 F240 K243 F246	R224-Y231 PolarHBondContact NH1-OH 3.16Å; Y231-F240 WeakPolarHBondContact CD2-O 3.25Å; Y231-F240 PolarHBondContact N-O 3.31Å; Y231-F240 WeakPolarHBondContact O-CB 3.34Å; Y231-F240 WeakPolarHBondContact O-CD2 3.29Å; Y231-F240 PolarHBondContact O-N 3.48Å; Y231-K243 HydrophobicContact CE2-CB 3.85Å; Y231-K243 VanDerWaalsContact CE2-N 3.25Å; Y231-F246 HydrophobicContact CD1-CD1 4.01Å; Y231-F246 HydrophobicContact CD1-CE1 4.33Å; Y231-F246 HydrophobicContact CD1-CG 4.48Å; Y231-F246 HydrophobicContact CD2-CB 4.22Å; Y231-F246 HydrophobicContact CG-CB 4Å; Y231-F246 AromaticContact CG-CD1 3.94Å; Y231-F246 HydrophobicContact CG-CD1 3.94Å; Y231-F246 AromaticContact CG-CG 3.95Å; Y231-F246 HydrophobicContact CG-CG 3.95Å
232	E	68.9	Low	65.5	Low	79 Å²	79	82 Å²	82	37%	0.369	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	145.4	175.1	-174.5	145.4	-164.4	0	0	110.3	S230 S237 R239 F246	S230-E232 PolarHBondContact O-N 2.88Å; S230-E232 VanDerWaalsContact O-N 3.16Å; E232-S237 WeakPolarHBondContact OE1-CA 3.4Å; E232-R239 HydrophobicContact CB-CG 4.37Å; E232-R239 HydrophobicContact CG-CG 4.29Å; E232-R239 IonicContact OE2-CZ 3.82Å; E232-R239 IonicContact OE2-NE 3.19Å; E232-R239 IonicContact OE2-NH1 3.85Å; E232-R239 PolarHBondContact OE2-NH1 2.91Å; E232-F246 WeakPolarHBondContact O-CE2 3.46Å
233	C	70.4	Confident	65.1	Low	6 Å²	6	86.4 Å²	86.4	4%	0.041	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	126.6	178.3	-178.6	0	0	0	0	110.6	R235 C236 H238 F240 H249	C233-R235 PolarHBondContact O-N 2.99Å; C233-R235 PolarHBondContact SG-N 3.07Å; C233-R235 VanDerWaalsContact SG-N 3.44Å; C233-C236 WeakPolarHBondContact CB-O 3.28Å; C233-C236 CarbonylContact O-C 3.52Å; C233-C236 PolarHBondContact O-N 3.11Å; C233-C236 VanDerWaalsContact O-N 3.07Å; C233-H238 PolarHBondContact N-O 2.68Å; C233-F240 HydrophobicContact CB-CE2 4.48Å; C233-H249 VanDerWaalsContact CB-NE2 3.29Å; C233-H249 WeakPolarHBondContact CB-NE2 3.33Å; C233-H249 PolarHBondContact SG-NE2 3.33Å
234	P	64.9	Low	64.9	Low	121 Å²	121	90.6 Å²	90.6	79%	0.786	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-8.6	177.5	26.9	-35	0	0	0	113.6
235	R	63.2	Low	64.7	Low	197 Å²	197	96.5 Å²	96.5	74%	0.743	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.2	-5.6	176.6	-60.7	-179.7	-178.8	158.8	1.2	114.2	C233 C256	C233-R235 PolarHBondContact O-N 2.99Å; C233-R235 PolarHBondContact SG-N 3.07Å; C233-R235 VanDerWaalsContact SG-N 3.44Å; R235-C256 VanDerWaalsContact C-SG 3.52Å; R235-C256 HydrophobicContact CB-CB 3.96Å; R235-C256 VanDerWaalsContact CB-SG 3.6Å; R235-C256 PolarHBondContact O-SG 3.41Å
236	C	62.7	Low	65.1	Low	34 Å²	34	94.5 Å²	94.5	23%	0.23	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.1	149.3	167	65	0	0	0	0	112.1	C233 H238 H249 C256	C233-C236 WeakPolarHBondContact CB-O 3.28Å; C233-C236 CarbonylContact O-C 3.52Å; C233-C236 PolarHBondContact O-N 3.11Å; C233-C236 VanDerWaalsContact O-N 3.07Å; C236-H238 PolarHBondContact O-N 3.44Å; C236-H238 VanDerWaalsContact SG-CD2 3.51Å; C236-H249 VanDerWaalsContact SG-CE1 3.59Å; C236-H249 PolarHBondContact SG-NE2 3.1Å; C236-C256 PolarHBondContact SG-SG 2.98Å
237	S	65.6	Low	65.2	Low	103 Å²	103	93.7 Å²	93.7	72%	0.72	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.1	27.9	179.4	-40.4	0	0	0	0	115.4	E232 R239	E232-S237 WeakPolarHBondContact OE1-CA 3.4Å; S237-R239 PolarHBondContact O-N 3.24Å
238	H	60	Low	65.2	Low	87 Å²	87	92.6 Å²	92.6	40%	0.403	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	114.5	168.6	-76.3	-32.1	0	0	0	110.4	C233 C236 F240 R253	C233-H238 PolarHBondContact N-O 2.68Å; C236-H238 PolarHBondContact O-N 3.44Å; C236-H238 VanDerWaalsContact SG-CD2 3.51Å; H238-F240 HydrophobicContact CB-CD2 4.44Å; H238-F240 HydrophobicContact CB-CE2 3.53Å; H238-F240 HydrophobicContact CB-CZ 3.7Å; H238-F240 WeakPolarHBondContact O-CD2 3.27Å; H238-F240 WeakPolarHBondContact O-CE2 3.44Å; H238-R253 PolarHBondContact CD2-NH1 3.11Å; H238-R253 PolarHBondContact NE2-NH1 2.99Å; H238-R253 VanDerWaalsContact NE2-NH1 3.14Å
239	R	72.5	Confident	65.9	Low	138 Å²	138	87.8 Å²	87.8	52%	0.521	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	116.5	179.3	-71.2	179.5	78.3	129.1	-8.3	111.2	N228 S230 E232 S237	N228-R239 PolarHBondContact O-NH2 3.42Å; S230-R239 WeakPolarHBondContact OG-CB 3.37Å; S230-R239 WeakPolarHBondContact OG-CG 3.48Å; S230-R239 PolarHBondContact OG-NE 2.91Å; E232-R239 HydrophobicContact CB-CG 4.37Å; E232-R239 HydrophobicContact CG-CG 4.29Å; E232-R239 IonicContact OE2-CZ 3.82Å; E232-R239 IonicContact OE2-NE 3.19Å; E232-R239 IonicContact OE2-NH1 3.85Å; E232-R239 PolarHBondContact OE2-NH1 2.91Å; S237-R239 PolarHBondContact O-N 3.24Å
240	F	68.7	Low	66.3	Low	35 Å²	35	86.5 Å²	86.5	15%	0.154	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	122	-173.8	-64.8	-86.6	0	0	0	113.2	Y231 C233 H238 K242 R245 F246 H249	Y231-F240 WeakPolarHBondContact CD2-O 3.25Å; Y231-F240 PolarHBondContact N-O 3.31Å; Y231-F240 WeakPolarHBondContact O-CB 3.34Å; Y231-F240 WeakPolarHBondContact O-CD2 3.29Å; Y231-F240 PolarHBondContact O-N 3.48Å; C233-F240 HydrophobicContact CB-CE2 4.48Å; H238-F240 HydrophobicContact CB-CD2 4.44Å; H238-F240 HydrophobicContact CB-CE2 3.53Å; H238-F240 HydrophobicContact CB-CZ 3.7Å; H238-F240 WeakPolarHBondContact O-CD2 3.27Å; H238-F240 WeakPolarHBondContact O-CE2 3.44Å; F240-K242 VanDerWaalsContact C-N 3.28Å; F240-K242 PolarHBondContact O-N 3.11Å; F240-R245 HydrophobicContact CD1-CB 4.04Å; F240-F246 HydrophobicContact CB-CB 4.01Å; F240-F246 HydrophobicContact CD2-CD2 4.05Å; F240-F246 HydrophobicContact CG-CB 4.33Å; F240-H249 HydrophobicContact CE1-CB 3.87Å; F240-H249 HydrophobicContact CE2-CB 3.95Å; F240-H249 AromaticContact CE2-CD2 3.29Å; F240-H249 WeakPolarHBondContact CE2-CD2 3.5Å; F240-H249 AromaticContact CE2-CG 3.53Å; F240-H249 AromaticContact CE2-NE2 3.75Å; F240-H249 HydrophobicContact CZ-CB 3.5Å; F240-H249 AromaticContact CZ-CD2 3.52Å; F240-H249 AromaticContact CZ-CE1 3.96Å; F240-H249 AromaticContact CZ-CG 3.23Å; F240-H249 AromaticContact CZ-ND1 3.55Å; F240-H249 AromaticContact CZ-NE2 3.96Å
241	R	64.1	Low	66.3	Low	156 Å²	156	93 Å²	93	59%	0.589	45%	0.445	S	S	*	.	S	Bend	trans	-77.3	3.6	179	-64.5	175.5	175.6	-176	-0.6	115.3
242	K	64.1	Low	65.8	Low	134 Å²	134	92.8 Å²	92.8	58%	0.583	46%	0.459	S	S	*	.	S	Bend	trans	-151.8	132.7	-178	-66.5	-169.6	177.8	-173.3	0	112.3	F240 N244 R245 F246	F240-K242 VanDerWaalsContact C-N 3.28Å; F240-K242 PolarHBondContact O-N 3.11Å; K242-N244 VanDerWaalsContact C-N 3.33Å; K242-N244 PolarHBondContact O-N 3.15Å; K242-R245 PolarHBondContact O-N 3.38Å; K242-F246 PolarHBondContact O-N 3.16Å; K242-F246 VanDerWaalsContact O-N 3.12Å
243	K	64	Low	65	Low	112 Å²	112	94.3 Å²	94.3	49%	0.487	46%	0.462	S	S	.	.	H	α-helix	trans	-53.4	-46.2	-179.1	-169.4	171.2	-179.2	174.3	0	112.1	Y231 R245 F246 T247	Y231-K243 HydrophobicContact CE2-CB 3.85Å; Y231-K243 VanDerWaalsContact CE2-N 3.25Å; K243-R245 PolarHBondContact O-N 3.21Å; K243-F246 WeakPolarHBondContact O-CB 3.41Å; K243-F246 PolarHBondContact O-N 3.35Å; K243-T247 HydrophobicContact CG-CG2 4.3Å; K243-T247 PolarHBondContact O-N 3.41Å; K243-T247 PolarHBondContact O-OG1 2.82Å
244	N	65.9	Low	63.8	Low	135 Å²	135	97.4 Å²	97.4	72%	0.722	48%	0.481	S	S	*	.	H	α-helix	trans	-64.6	-19.6	179.5	-51.6	59	0	0	0	114.6	K242 A248	K242-N244 VanDerWaalsContact C-N 3.33Å; K242-N244 PolarHBondContact O-N 3.15Å; N244-A248 WeakPolarHBondContact O-CB 3.31Å; N244-A248 PolarHBondContact O-N 2.96Å
245	R	67.7	Low	62.8	Low	185 Å²	185	98 Å²	98	70%	0.698	48%	0.478	S	S	*	.	H	α-helix	trans	-90.5	-27.5	171.6	-81.5	-163.7	175.1	-173.9	-1.5	112.5	F240 K242 K243 H249	F240-R245 HydrophobicContact CD1-CB 4.04Å; K242-R245 PolarHBondContact O-N 3.38Å; K243-R245 PolarHBondContact O-N 3.21Å; R245-H249 VanDerWaalsContact O-CB 3.23Å; R245-H249 WeakPolarHBondContact O-CB 3.32Å; R245-H249 PolarHBondContact O-N 3.1Å
246	F	71.2	Confident	61.9	Low	16 Å²	16	89.9 Å²	89.9	7%	0.07	45%	0.451	C	S	.	.	H	α-helix	trans	-68.8	-51.3	170.9	175.4	-119.9	0	0	0	111.1	Y231 E232 F240 K242 K243 A248 H249 L250	Y231-F246 HydrophobicContact CD1-CD1 4.01Å; Y231-F246 HydrophobicContact CD1-CE1 4.33Å; Y231-F246 HydrophobicContact CD1-CG 4.48Å; Y231-F246 HydrophobicContact CD2-CB 4.22Å; Y231-F246 HydrophobicContact CG-CB 4Å; Y231-F246 AromaticContact CG-CD1 3.94Å; Y231-F246 HydrophobicContact CG-CD1 3.94Å; Y231-F246 AromaticContact CG-CG 3.95Å; Y231-F246 HydrophobicContact CG-CG 3.95Å; E232-F246 WeakPolarHBondContact O-CE2 3.46Å; F240-F246 HydrophobicContact CB-CB 4.01Å; F240-F246 HydrophobicContact CD2-CD2 4.05Å; F240-F246 HydrophobicContact CG-CB 4.33Å; K242-F246 PolarHBondContact O-N 3.16Å; K242-F246 VanDerWaalsContact O-N 3.12Å; K243-F246 WeakPolarHBondContact O-CB 3.41Å; K243-F246 PolarHBondContact O-N 3.35Å; F246-A248 PolarHBondContact O-N 2.9Å; F246-H249 WeakPolarHBondContact O-CA 3.41Å; F246-H249 WeakPolarHBondContact O-CB 3.37Å; F246-H249 PolarHBondContact O-N 3.23Å; F246-L250 HydrophobicContact CD1-CD1 4.14Å; F246-L250 HydrophobicContact CD2-CG 4.38Å; F246-L250 HydrophobicContact CE1-CD1 3.68Å; F246-L250 HydrophobicContact CE2-CD1 4.07Å; F246-L250 HydrophobicContact CE2-CD2 4.15Å; F246-L250 HydrophobicContact CE2-CG 4.1Å; F246-L250 HydrophobicContact CZ-CD1 3.65Å; F246-L250 HydrophobicContact CZ-CD2 4.34Å; F246-L250 HydrophobicContact CZ-CG 4.2Å; F246-L250 WeakPolarHBondContact O-CG 3.15Å; F246-L250 PolarHBondContact O-N 3Å
247	T	67	Low	60.9	Low	47 Å²	47	92 Å²	92	29%	0.288	47%	0.471	S	S	.	.	H	α-helix	trans	-62.8	-42.9	175.9	57.8	0	0	0	0	111.6	K243 H249 L250 H251	K243-T247 HydrophobicContact CG-CG2 4.3Å; K243-T247 PolarHBondContact O-N 3.41Å; K243-T247 PolarHBondContact O-OG1 2.82Å; T247-H249 PolarHBondContact O-N 3.08Å; T247-L250 PolarHBondContact O-N 3.42Å; T247-H251 PolarHBondContact O-CD2 2.89Å; T247-H251 PolarHBondContact O-N 3.41Å
248	A	65.2	Low	59.7	Low	64 Å²	64	95.2 Å²	95.2	53%	0.529	48%	0.48	S	S	.	.	H	α-helix	trans	-66.9	-13.6	173.2	0	0	0	0	0	114.3	N244 F246 G252	N244-A248 WeakPolarHBondContact O-CB 3.31Å; N244-A248 PolarHBondContact O-N 2.96Å; F246-A248 PolarHBondContact O-N 2.9Å; A248-G252 VanDerWaalsContact O-CA 3.3Å; A248-G252 WeakPolarHBondContact O-CA 3.47Å; A248-G252 PolarHBondContact O-N 2.9Å
249	H	71.2	Confident	58.6	Low	14 Å²	14	100.9 Å²	100.9	7%	0.065	50%	0.503	C	S	.	.	H	α-helix	trans	-86.8	-45.6	170	167	73.2	0	0	0	111.2	C233 C236 F240 R245 F246 T247 G252 R253	C233-H249 VanDerWaalsContact CB-NE2 3.29Å; C233-H249 WeakPolarHBondContact CB-NE2 3.33Å; C233-H249 PolarHBondContact SG-NE2 3.33Å; C236-H249 VanDerWaalsContact SG-CE1 3.59Å; C236-H249 PolarHBondContact SG-NE2 3.1Å; F240-H249 HydrophobicContact CE1-CB 3.87Å; F240-H249 HydrophobicContact CE2-CB 3.95Å; F240-H249 AromaticContact CE2-CD2 3.29Å; F240-H249 WeakPolarHBondContact CE2-CD2 3.5Å; F240-H249 AromaticContact CE2-CG 3.53Å; F240-H249 AromaticContact CE2-NE2 3.75Å; F240-H249 HydrophobicContact CZ-CB 3.5Å; F240-H249 AromaticContact CZ-CD2 3.52Å; F240-H249 AromaticContact CZ-CE1 3.96Å; F240-H249 AromaticContact CZ-CG 3.23Å; F240-H249 AromaticContact CZ-ND1 3.55Å; F240-H249 AromaticContact CZ-NE2 3.96Å; R245-H249 VanDerWaalsContact O-CB 3.23Å; R245-H249 WeakPolarHBondContact O-CB 3.32Å; R245-H249 PolarHBondContact O-N 3.1Å; F246-H249 WeakPolarHBondContact O-CA 3.41Å; F246-H249 WeakPolarHBondContact O-CB 3.37Å; F246-H249 PolarHBondContact O-N 3.23Å; T247-H249 PolarHBondContact O-N 3.08Å; H249-G252 PolarHBondContact O-N 3.01Å; H249-R253 PolarHBondContact O-N 3.17Å
250	L	64.9	Low	56.6	Low	73 Å²	73	98.1 Å²	98.1	38%	0.382	52%	0.517	S	S	.	.	H	α-helix	trans	-58.6	-48.1	175	-67.1	177.3	0	0	0	112.1	F246 T247	F246-L250 HydrophobicContact CD1-CD1 4.14Å; F246-L250 HydrophobicContact CD2-CG 4.38Å; F246-L250 HydrophobicContact CE1-CD1 3.68Å; F246-L250 HydrophobicContact CE2-CD1 4.07Å; F246-L250 HydrophobicContact CE2-CD2 4.15Å; F246-L250 HydrophobicContact CE2-CG 4.1Å; F246-L250 HydrophobicContact CZ-CD1 3.65Å; F246-L250 HydrophobicContact CZ-CD2 4.34Å; F246-L250 HydrophobicContact CZ-CG 4.2Å; F246-L250 WeakPolarHBondContact O-CG 3.15Å; F246-L250 PolarHBondContact O-N 3Å; T247-L250 PolarHBondContact O-N 3.42Å
251	H	65.8	Low	55	Low	164 Å²	164	106.1 Å²	106.1	76%	0.759	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	-14.8	178.3	-53.1	-59.1	0	0	0	113.4	T247	T247-H251 PolarHBondContact O-CD2 2.89Å; T247-H251 PolarHBondContact O-N 3.41Å
252	G	54.7	Low	53.5	Low	49 Å²	49	108.7 Å²	108.7	51%	0.505	57%	0.567	S	S	.	*	T	Hydrogen-bonded Turn	trans	-107.7	5.3	-170.3	0	0	0	0	0	115.8	A248 H249	A248-G252 VanDerWaalsContact O-CA 3.3Å; A248-G252 WeakPolarHBondContact O-CA 3.47Å; A248-G252 PolarHBondContact O-N 2.9Å; H249-G252 PolarHBondContact O-N 3.01Å
253	R	50.3	Low	51.8	Low	111 Å²	111	112.7 Å²	112.7	42%	0.419	58%	0.579	S	S	.	*			trans	-134.4	95.9	173.4	-77.3	-162.7	179	169.2	-1.4	111.6	H238 H249 N255	H238-R253 PolarHBondContact CD2-NH1 3.11Å; H238-R253 PolarHBondContact NE2-NH1 2.99Å; H238-R253 VanDerWaalsContact NE2-NH1 3.14Å; H249-R253 PolarHBondContact O-N 3.17Å; R253-N255 VanDerWaalsContact C-N 3.29Å
254	P	46.8	Very low	50.1	Low	70 Å²	70	114 Å²	114	46%	0.455	60%	0.597	S	S	.	*	S	Bend	trans	-61.2	-42.7	160.7	25	-32.3	0	0	0	110.4	C256 N301	P254-C256 PolarHBondContact O-N 3.08Å; P254-N301 HydrophobicContact CG-CB 4.26Å
255	N	42.7	Very low	48.3	Very low	133 Å²	133	111.9 Å²	111.9	71%	0.711	59%	0.589	S	S	*	*			trans	-91.8	80.9	175.4	-71.6	-10.1	0	0	0	111.5	R253 A257	R253-N255 VanDerWaalsContact C-N 3.29Å; N255-A257 HydrophobicContact CB-CB 4.4Å; N255-A257 PolarHBondContact O-N 3.25Å; N255-A257 VanDerWaalsContact O-N 3.09Å
256	C	45.2	Very low	46.9	Very low	28 Å²	28	109.7 Å²	109.7	19%	0.189	60%	0.596	C	S	.	*			trans	-80.9	52.2	161.8	-159.2	0	0	0	0	110.3	R235 C236 P254	R235-C256 VanDerWaalsContact C-SG 3.52Å; R235-C256 HydrophobicContact CB-CB 3.96Å; R235-C256 VanDerWaalsContact CB-SG 3.6Å; R235-C256 PolarHBondContact O-SG 3.41Å; C236-C256 PolarHBondContact SG-SG 2.98Å; P254-C256 PolarHBondContact O-N 3.08Å
257	A	41.9	Very low	45	Very low	79 Å²	79	117 Å²	117	65%	0.653	64%	0.635	S	S	*	*			trans	-79.7	152.4	-162.8	0	0	0	0	0	114	N255 K259	N255-A257 HydrophobicContact CB-CB 4.4Å; N255-A257 PolarHBondContact O-N 3.25Å; N255-A257 VanDerWaalsContact O-N 3.09Å; A257-K259 PolarHBondContact O-N 3.22Å
258	L	39.9	Very low	43.5	Very low	170 Å²	170	119.7 Å²	119.7	89%	0.89	66%	0.662	S	S	*	*			trans	-63.9	126.1	-174	-70.3	66.8	0	0	0	111.8
259	K	37.7	Very low	41.9	Very low	206 Å²	206	121 Å²	121	90%	0.896	67%	0.673	S	S	*	*			trans	-133.4	99.5	143.5	-76	-153.4	172.1	-161.8	0	108	A257	A257-K259 PolarHBondContact O-N 3.22Å
260	G	28.8	Very low	40.5	Very low	79 Å²	79	129.8 Å²	129.8	81%	0.814	71%	0.714	S	S	*	*			trans	-61.6	141.9	-177.5	0	0	0	0	0	112.1
261	K	36.7	Very low	39	Very low	203 Å²	203	130.9 Å²	130.9	88%	0.883	73%	0.727	S	S	*	*			trans	-122.5	137.9	153.3	-73.6	-163.1	169.3	-162.6	0	107.1	R263	K261-R263 PolarHBondContact O-N 2.85Å
262	K	32.1	Very low	37.5	Very low	211 Å²	211	130 Å²	130	92%	0.917	73%	0.728	S	S	*	*			trans	-56.5	135.2	-169.4	-60.9	-177.1	178.5	-175.1	0	110.4
263	R	27.4	Very low	36.4	Very low	217 Å²	217	135 Å²	135	82%	0.819	74%	0.744	S	S	*	*			trans	-79.4	113	165.2	-72.2	173.5	69.5	165.3	0.5	107.4	K261 T265	K261-R263 PolarHBondContact O-N 2.85Å; R263-T265 HydrophobicContact CB-CG2 4.3Å; R263-T265 PolarHBondContact O-N 2.97Å
264	T	28.3	Very low	35.8	Very low	141 Å²	141	137.5 Å²	137.5	87%	0.865	77%	0.765	S	S	*	*			trans	-81.5	89.9	156.2	31.6	0	0	0	0	107.6
265	T	29.2	Very low	35.2	Very low	90 Å²	90	141.6 Å²	141.6	55%	0.552	78%	0.778	S	S	*	*			trans	-91.3	101.1	169.3	37.3	0	0	0	0	109.2	R263	R263-T265 HydrophobicContact CB-CG2 4.3Å; R263-T265 PolarHBondContact O-N 2.97Å
266	T	37.1	Very low	34.6	Very low	138 Å²	138	143.3 Å²	143.3	85%	0.847	78%	0.78	S	S	*	*			trans	-86.2	120.5	159.9	-37.1	0	0	0	0	107.3
267	L	32	Very low	33.9	Very low	170 Å²	170	146.4 Å²	146.4	89%	0.89	81%	0.807	S	S	*	*			trans	-87.1	123.7	175.9	-79	158.1	0	0	0	109.3
268	A	35.8	Very low	33.5	Very low	104 Å²	104	152.6 Å²	152.6	86%	0.86	82%	0.819	S	S	*	*			trans	-141.3	125.7	157.4	0	0	0	0	0	106.2
269	A	32	Very low	33.1	Very low	92 Å²	92	149.1 Å²	149.1	76%	0.76	80%	0.801	S	S	*	*			trans	-103.9	146.4	-177.5	0	0	0	0	0	110.2
270	Q	40.2	Very low	32.9	Very low	197 Å²	197	145 Å²	145	92%	0.921	80%	0.796	S	S	*	*			trans	-168.1	165.3	130.5	-101.8	153.5	17.3	0	0	109.7
271	S	34.7	Very low	33.1	Very low	96 Å²	96	146.2 Å²	146.2	67%	0.671	78%	0.783	S	S	*	*			trans	-77	158.8	-174.2	52.8	0	0	0	0	112.5
272	N	33.2	Very low	32.9	Very low	146 Å²	146	142.2 Å²	142.2	78%	0.781	78%	0.775	S	S	*	*				-174.6	158.7	106.8	-83.9	-7.1	0	0	0	109.6
273	D	31.8	Very low	32.7	Very low	155 Å²	155	138.9 Å²	138.9	83%	0.829	77%	0.767	S	S	*	*			trans	-76	140	-171.8	-56.8	-91.9	0	0	0	113.2
274	D	38.2	Very low	32.7	Very low	163 Å²	163	135.6 Å²	135.6	87%	0.872	77%	0.765	S	S	*	*			trans	-159.7	152.8	139.7	-132.3	-29.7	0	0	0	111.7
275	E	33.4	Very low	32.7	Very low	155 Å²	155	134.2 Å²	134.2	72%	0.724	76%	0.758	S	S	*	*			trans	-72.6	149.3	179.4	-76.6	-156.2	122.2	0	0	113.1
276	K	30.3	Very low	32.6	Very low	170 Å²	170	135.8 Å²	135.8	74%	0.739	76%	0.762	S	S	*	*				157.5	157.9	100.4	-161.9	165.4	-109.7	72.8	0	112.3
277	A	30.8	Very low	32.3	Very low	92 Å²	92	134.4 Å²	134.4	76%	0.76	75%	0.749	S	S	*	*			trans	68.8	54.8	169.8	0	0	0	0	0	118.7
278	K	33.9	Very low	32.2	Very low	209 Å²	209	132 Å²	132	91%	0.909	73%	0.732	S	S	*	*			trans	-56.6	136.9	154.2	-69.3	176.5	-179.1	171.9	0	109.7	P280	K278-P280 WeakPolarHBondContact O-CD 3.4Å
279	N	32.4	Very low	32	Very low	97 Å²	97	130.4 Å²	130.4	52%	0.519	71%	0.706	S	S	.	*			trans	-84.2	112.1	-169.4	-170.3	11.2	0	0	0	111.4	L281	N279-L281 VanDerWaalsContact C-N 3.29Å; N279-L281 PolarHBondContact O-N 3.15Å
280	P	33.6	Very low	32	Very low	120 Å²	120	131 Å²	131	78%	0.779	70%	0.701	S	S	*	*	S	Bend	trans	-85.6	56.1	-160.2	35.8	-39	0	0	0	113.5	K278	K278-P280 WeakPolarHBondContact O-CD 3.4Å
281	L	32.4	Very low	31.9	Very low	105 Å²	105	125.9 Å²	125.9	55%	0.55	70%	0.701	S	S	.	*			trans	-145.8	31.1	-177.2	-71.7	176.8	0	0	0	113	N279	N279-L281 VanDerWaalsContact C-N 3.29Å; N279-L281 PolarHBondContact O-N 3.15Å
282	V	32	Very low	31.8	Very low	119 Å²	119	133.2 Å²	133.2	72%	0.721	71%	0.714	S	S	*	*	S	Bend	trans	-87.4	-37.2	-179.6	-178.1	0	0	0	0	111.7
283	D	28.5	Very low	31.5	Very low	140 Å²	140	128.8 Å²	128.8	75%	0.749	70%	0.703	S	S	*	*			trans	-122.6	86.9	-163.2	-49.7	-73	0	0	0	114
284	I	27.4	Very low	31.3	Very low	148 Å²	148	128.4 Å²	128.4	76%	0.759	70%	0.7	S	S	*	*			trans	-142.7	117.6	162.8	-55.5	-178	0	0	0	109.8
285	P	28	Very low	30.8	Very low	112 Å²	112	123.7 Å²	123.7	73%	0.727	68%	0.677	S	S	*	*			trans	-73	173	-179	-22.2	35.2	0	0	0	117.1
286	L	28.1	Very low	30.4	Very low	123 Å²	123	119.9 Å²	119.9	64%	0.644	67%	0.666	S	S	*	*			trans	-135.9	125.6	176.9	-57.1	170.9	0	0	0	110.4	I297	L286-I297 HydrophobicContact CB-CG1 4.31Å
287	L	29.9	Very low	30.5	Very low	109 Å²	109	115.9 Å²	115.9	57%	0.571	65%	0.651	S	S	*	*			trans	-131	-169.4	166.9	-73.2	99.6	0	0	0	109.1	V295 P296 I297	L287-V295 HydrophobicContact CB-CB 4.06Å; L287-V295 HydrophobicContact CB-CG1 4.23Å; L287-V295 HydrophobicContact CB-CG2 3.79Å; L287-V295 CarbonylContact O-C 3.22Å; L287-V295 WeakPolarHBondContact O-CB 3.5Å; L287-P296 CarbonylContact O-C 2.85Å; L287-P296 WeakPolarHBondContact O-CA 3.42Å; L287-I297 WeakPolarHBondContact O-CG1 3.25Å; L287-I297 PolarHBondContact O-N 3.34Å
288	K	30.5	Very low	30.2	Very low	120 Å²	120	123 Å²	123	52%	0.522	66%	0.659	S	S	.	*			trans	-146.6	134.3	-178.2	-167.7	-90.9	171.8	-157.8	0	115.2	V295 I297	K288-V295 WeakPolarHBondContact CA-O 3.35Å; K288-I297 HydrophobicContact CB-CB 3.94Å; K288-I297 HydrophobicContact CB-CD1 4.03Å; K288-I297 HydrophobicContact CB-CG1 4.16Å; K288-I297 HydrophobicContact CG-CB 4.42Å
289	E	30.6	Very low	30	Very low	70 Å²	70	122.5 Å²	122.5	33%	0.327	66%	0.657	S	S	.	*			trans	-134.2	-166.6	179.1	-152	-126.7	-94.9	0	0	113.7	R292 G293 L294 V295	E289-R292 PolarHBondContact OE2-N 2.89Å; E289-G293 VanDerWaalsContact CD-C 3.42Å; E289-G293 VanDerWaalsContact CD-N 3.3Å; E289-G293 WeakPolarHBondContact OE1-CA 3.41Å; E289-G293 PolarHBondContact OE1-N 3.36Å; E289-G293 WeakPolarHBondContact OE2-CA 3.36Å; E289-G293 PolarHBondContact OE2-N 2.96Å; E289-L294 PolarHBondContact OE1-N 3.27Å; E289-V295 HydrophobicContact CB-CG2 4Å; E289-V295 PolarHBondContact N-O 3.39Å; E289-V295 VanDerWaalsContact N-O 3.15Å
290	T	33.2	Very low	29.8	Very low	105 Å²	105	120 Å²	120	64%	0.644	65%	0.654	S	S	*	*			trans	-174.8	128.4	-170.7	20.6	0	0	0	0	112.5	R292	T290-R292 PolarHBondContact O-N 2.86Å
291	G	38	Very low	29.4	Very low	90 Å²	90	121 Å²	121	93%	0.928	65%	0.653	S	S	*	*	S	Bend	trans	74.4	-16.8	158.5	0	0	0	0	0	117.3
292	R	30.9	Very low	29.3	Very low	249 Å²	249	123 Å²	123	94%	0.94	67%	0.669	S	S	*	*	S	Bend	trans	-128.9	-14.7	176.8	-64.3	-170.4	-178.3	-166.6	1.9	114.4	E289 T290	E289-R292 PolarHBondContact OE2-N 2.89Å; T290-R292 PolarHBondContact O-N 2.86Å
293	G	27	Very low	29.1	Very low	53 Å²	53	122.9 Å²	122.9	55%	0.546	67%	0.674	S	S	.	*	S	Bend	trans	-169.9	-132.5	-179.3	0	0	0	0	0	113.7	E289	E289-G293 VanDerWaalsContact CD-C 3.42Å; E289-G293 VanDerWaalsContact CD-N 3.3Å; E289-G293 WeakPolarHBondContact OE1-CA 3.41Å; E289-G293 PolarHBondContact OE1-N 3.36Å; E289-G293 WeakPolarHBondContact OE2-CA 3.36Å; E289-G293 PolarHBondContact OE2-N 2.96Å
294	L	27.6	Very low	29.3	Very low	147 Å²	147	127.4 Å²	127.4	77%	0.77	68%	0.681	S	S	*	*			trans	-149.9	114.2	-152	-148.4	-165.7	0	0	0	114.3	E289	E289-L294 PolarHBondContact OE1-N 3.27Å
295	V	27.8	Very low	29.7	Very low	64 Å²	64	127 Å²	127	39%	0.388	69%	0.685	S	S	.	*			trans	-170.9	158.4	141.3	-100.8	0	0	0	0	111.3	L287 K288 E289	L287-V295 HydrophobicContact CB-CB 4.06Å; L287-V295 HydrophobicContact CB-CG1 4.23Å; L287-V295 HydrophobicContact CB-CG2 3.79Å; L287-V295 CarbonylContact O-C 3.22Å; L287-V295 WeakPolarHBondContact O-CB 3.5Å; K288-V295 WeakPolarHBondContact CA-O 3.35Å; E289-V295 HydrophobicContact CB-CG2 4Å; E289-V295 PolarHBondContact N-O 3.39Å; E289-V295 VanDerWaalsContact N-O 3.15Å
296	P	26.6	Very low	29.9	Very low	76 Å²	76	127.3 Å²	127.3	49%	0.494	68%	0.681	S	S	.	*			trans	-125.6	114.8	-173.6	37.5	-18.8	0	0	0	117.9	L287	L287-P296 CarbonylContact O-C 2.85Å; L287-P296 WeakPolarHBondContact O-CA 3.42Å
297	I	30.5	Very low	30.3	Very low	85 Å²	85	129.7 Å²	129.7	44%	0.436	69%	0.688	S	S	.	*			trans	-114.3	135.6	162.2	-69.4	159	0	0	0	109.7	L286 L287 K288	L286-I297 HydrophobicContact CB-CG1 4.31Å; L287-I297 WeakPolarHBondContact O-CG1 3.25Å; L287-I297 PolarHBondContact O-N 3.34Å; K288-I297 HydrophobicContact CB-CB 3.94Å; K288-I297 HydrophobicContact CB-CD1 4.03Å; K288-I297 HydrophobicContact CB-CG1 4.16Å; K288-I297 HydrophobicContact CG-CB 4.42Å
298	W	26.4	Very low	31.1	Very low	242 Å²	242	128.4 Å²	128.4	92%	0.917	69%	0.694	S	S	*	*			trans	-136.2	127.8	165.8	-87.5	75.4	0	0	0	111.7
299	K	29.8	Very low	31.7	Very low	199 Å²	199	125.8 Å²	125.8	87%	0.865	69%	0.685	S	S	*	*			trans	-79.8	142.4	172.4	-68.4	179.2	177.6	178	0	110.1
300	G	26.2	Very low	32.1	Very low	45 Å²	45	131 Å²	131	46%	0.464	70%	0.703	S	S	.	*			trans	-101	139.3	177.1	0	0	0	0	0	113.1
301	N	26.5	Very low	32.6	Very low	141 Å²	141	134.4 Å²	134.4	75%	0.754	71%	0.705	S	S	*	*			trans	54.9	97.3	170.7	-69.8	4.3	0	0	0	118.3	P254	P254-N301 HydrophobicContact CG-CB 4.26Å
302	T	29.2	Very low	32.9	Very low	145 Å²	145	135.8 Å²	135.8	89%	0.89	69%	0.69	S	S	*	*				-148.2	166.9	120	19	0	0	0	0	109.9	R304	T302-R304 PolarHBondContact O-N 3.28Å
303	S	28.4	Very low	33.6	Very low	118 Å²	118	129.3 Å²	129.3	83%	0.825	67%	0.666	S	S	*	*			trans	-62.6	118.5	-177.9	46	0	0	0	0	113.8
304	R	33.4	Very low	34.9	Very low	235 Å²	235	135.2 Å²	135.2	89%	0.887	67%	0.671	S	S	*	*			trans	-156.5	147.8	151.1	-127.7	168.3	164.8	120.7	-3.7	111.3	T302	T302-R304 PolarHBondContact O-N 3.28Å
305	T	34.8	Very low	36.3	Very low	138 Å²	138	131.7 Å²	131.7	85%	0.847	65%	0.65	S	S	*	*			trans	-81.1	117.4	-178.9	42.9	0	0	0	0	110.9
306	N	33	Very low	38.3	Very low	119 Å²	119	131.3 Å²	131.3	64%	0.636	65%	0.647	S	S	*	*			trans	-125.1	139.8	175.9	-63.5	-2.2	0	0	0	109.6	A308	N306-A308 PolarHBondContact O-N 2.87Å
307	E	36.1	Very low	40.7	Very low	173 Å²	173	127.7 Å²	127.7	81%	0.808	62%	0.624	S	S	*	*	G	3₁₀ helix	trans	-68.5	-12	-160.3	-60	114.5	124.2	0	0	116.3	D309 Y310	E307-D309 PolarHBondContact O-N 3.19Å; E307-Y310 VanDerWaalsContact O-CB 3.29Å; E307-Y310 WeakPolarHBondContact O-CB 3.39Å; E307-Y310 PolarHBondContact O-N 3.33Å; E307-Y310 VanDerWaalsContact O-N 3.11Å
308	A	45.6	Very low	42.8	Very low	82 Å²	82	127.8 Å²	127.8	68%	0.678	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-58.3	-22.4	178.7	0	0	0	0	0	114.4	N306 Y310	N306-A308 PolarHBondContact O-N 2.87Å; A308-Y310 PolarHBondContact O-N 3.14Å
309	D	44.5	Very low	45	Very low	65 Å²	65	122.2 Å²	122.2	35%	0.348	62%	0.615	S	S	.	*	G	3₁₀ helix	trans	-70.2	-17.3	179.4	-154.7	49	0	0	0	113	E307 W311 L312 R313	E307-D309 PolarHBondContact O-N 3.19Å; D309-W311 VanDerWaalsContact C-N 3.31Å; D309-W311 PolarHBondContact O-N 3.04Å; D309-L312 PolarHBondContact O-N 3.43Å; D309-R313 IonicContact OD2-CZ 2.87Å; D309-R313 IonicContact OD2-NE 2.65Å; D309-R313 PolarHBondContact OD2-NE 3.44Å; D309-R313 IonicContact OD2-NH2 3.95Å; D309-R313 PolarHBondContact OD2-NH2 3.32Å
310	Y	38.6	Very low	47.2	Very low	181 Å²	181	115 Å²	115	71%	0.71	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-58.3	-40.6	-178.2	-154.6	-90.2	0	0	0	112.3	E307 A308	E307-Y310 VanDerWaalsContact O-CB 3.29Å; E307-Y310 WeakPolarHBondContact O-CB 3.39Å; E307-Y310 PolarHBondContact O-N 3.33Å; E307-Y310 VanDerWaalsContact O-N 3.11Å; A308-Y310 PolarHBondContact O-N 3.14Å
311	W	43.4	Very low	49.5	Very low	176 Å²	176	119 Å²	119	67%	0.667	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-87.2	-10.8	-176.8	-62.7	104	0	0	0	115	D309 R314	D309-W311 VanDerWaalsContact C-N 3.31Å; D309-W311 PolarHBondContact O-N 3.04Å; W311-R314 PolarHBondContact O-NH1 3.25Å; W311-R314 VanDerWaalsContact O-NH1 3.1Å
312	L	44.4	Very low	51.7	Low	118 Å²	118	115.8 Å²	115.8	62%	0.618	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	-21.4	-175.3	-124.1	71.5	0	0	0	113.5	D309 R314	D309-L312 PolarHBondContact O-N 3.43Å; L312-R314 PolarHBondContact O-N 3.38Å
313	R	45.6	Very low	53.7	Low	114 Å²	114	115.7 Å²	115.7	43%	0.43	56%	0.558	S	S	.	*			trans	-77	43.4	175.4	-62.1	-177.4	-177.7	-151	0.9	113.1	D309 R323	D309-R313 IonicContact OD2-CZ 2.87Å; D309-R313 IonicContact OD2-NE 2.65Å; D309-R313 PolarHBondContact OD2-NE 3.44Å; D309-R313 IonicContact OD2-NH2 3.95Å; D309-R313 PolarHBondContact OD2-NH2 3.32Å; R313-R323 HydrophobicContact CB-CB 4.41Å; R313-R323 PolarHBondContact O-NE 2.8Å; R313-R323 PolarHBondContact O-NH2 2.86Å
314	R	53.8	Low	55.7	Low	176 Å²	176	112 Å²	112	66%	0.664	53%	0.527	S	S	*	.			trans	-74.1	-25.8	-170.8	-103.6	176.6	166.1	111.8	-11	115.2	W311 L312 V316	W311-R314 PolarHBondContact O-NH1 3.25Å; W311-R314 VanDerWaalsContact O-NH1 3.1Å; L312-R314 PolarHBondContact O-N 3.38Å; R314-V316 PolarHBondContact O-N 3.01Å
315	F	57.9	Low	57.1	Low	74 Å²	74	106.5 Å²	106.5	33%	0.325	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	84.7	-174.3	-59.9	-68.5	0	0	0	111.4	F324 L327 L330	F315-F324 HydrophobicContact CB-CB 4.31Å; F315-F324 WeakPolarHBondContact CB-O 3.28Å; F315-F324 PolarHBondContact O-N 2.79Å; F315-L327 HydrophobicContact CD1-CB 3.88Å; F315-L327 HydrophobicContact CD1-CD1 3.77Å; F315-L327 HydrophobicContact CD1-CG 4.36Å; F315-L327 HydrophobicContact CD2-CB 4.35Å; F315-L327 HydrophobicContact CE1-CB 3.7Å; F315-L327 HydrophobicContact CE1-CD1 3.95Å; F315-L327 HydrophobicContact CE1-CD2 4.35Å; F315-L327 HydrophobicContact CE1-CG 4.2Å; F315-L327 HydrophobicContact CE2-CB 4.17Å; F315-L327 HydrophobicContact CG-CB 4.21Å; F315-L327 HydrophobicContact CZ-CB 3.85Å; F315-L330 HydrophobicContact CB-CB 3.95Å; F315-L330 HydrophobicContact CB-CD2 3.75Å; F315-L330 HydrophobicContact CB-CG 4.45Å; F315-L330 HydrophobicContact CD1-CD2 4.36Å
316	V	70.4	Confident	58.7	Low	55 Å²	55	105.5 Å²	105.5	33%	0.333	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	145.5	177.9	-166.9	0	0	0	0	110.5	R314 Q321 R323 L330	R314-V316 PolarHBondContact O-N 3.01Å; V316-Q321 HydrophobicContact CG1-CB 4.44Å; V316-R323 HydrophobicContact CG1-CG 4.33Å; V316-R323 HydrophobicContact CG2-CG 4.13Å; V316-L330 WeakPolarHBondContact O-CD2 3.21Å
317	C	75.3	Confident	60.5	Low	0 Å²	0	104 Å²	104	0%	0	49%	0.49	C	S	.	.			trans	-92.7	121.3	173.4	-170	0	0	0	0	112.1	F319 C320 Q321 K322 F324 L330 H333 H337	C317-F319 PolarHBondContact O-N 3Å; C317-F319 VanDerWaalsContact O-N 3.17Å; C317-C320 PolarHBondContact O-N 2.92Å; C317-Q321 VanDerWaalsContact O-CA 3.24Å; C317-Q321 WeakPolarHBondContact O-CA 3.12Å; C317-Q321 PolarHBondContact O-N 3.08Å; C317-K322 PolarHBondContact N-O 3.45Å; C317-F324 HydrophobicContact CB-CE2 4.39Å; C317-L330 HydrophobicContact CB-CD1 3.61Å; C317-H333 VanDerWaalsContact SG-CD2 3.52Å; C317-H337 VanDerWaalsContact SG-CD2 3.5Å
318	S	76	Confident	62.2	Low	87 Å²	87	99.3 Å²	99.3	61%	0.608	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-35.4	177.4	47.3	0	0	0	0	114.4
319	F	71.6	Confident	63.6	Low	125 Å²	125	100 Å²	100	55%	0.548	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-19.3	-172.4	-60.5	-77.2	0	0	0	115.1	C317 I334 H337	C317-F319 PolarHBondContact O-N 3Å; C317-F319 VanDerWaalsContact O-N 3.17Å; F319-I334 HydrophobicContact CE2-CG2 4.38Å; F319-H337 HydrophobicContact CB-CB 4.02Å; F319-H337 VanDerWaalsContact CB-CG 3.5Å; F319-H337 HydrophobicContact CD1-CB 4.44Å; F319-H337 HydrophobicContact CD2-CB 3.7Å; F319-H337 AromaticContact CD2-CD2 3.88Å; F319-H337 AromaticContact CD2-CG 3.89Å; F319-H337 HydrophobicContact CE2-CB 4.26Å; F319-H337 HydrophobicContact CG-CB 3.8Å; F319-H337 AromaticContact CG-CG 3.84Å
320	C	77	Confident	65.1	Low	47 Å²	47	97.6 Å²	97.6	32%	0.318	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-157.4	22.6	178.9	72.2	0	0	0	0	115	C317 K322 H333 H337	C317-C320 PolarHBondContact O-N 2.92Å; C320-K322 PolarHBondContact O-N 3.05Å; C320-K322 VanDerWaalsContact SG-CD 3.55Å; C320-H333 PolarHBondContact SG-NE2 3.36Å; C320-H337 PolarHBondContact SG-CE1 3.1Å; C320-H337 PolarHBondContact SG-NE2 2.88Å
321	Q	74.2	Confident	66.8	Low	130 Å²	130	92.5 Å²	92.5	61%	0.607	44%	0.437	S	S	*	.			trans	53.9	9.2	174.7	-51.7	-59.4	-8.8	0	0	117.4	V316 C317 R323	V316-Q321 HydrophobicContact CG1-CB 4.44Å; C317-Q321 VanDerWaalsContact O-CA 3.24Å; C317-Q321 WeakPolarHBondContact O-CA 3.12Å; C317-Q321 PolarHBondContact O-N 3.08Å; Q321-R323 WeakPolarHBondContact O-CG 3.37Å; Q321-R323 PolarHBondContact O-N 2.78Å
322	K	71.8	Confident	68.4	Low	74 Å²	74	86.4 Å²	86.4	32%	0.322	42%	0.42	S	S	.	.			trans	-60.7	126.8	175.5	-73.6	173.1	-173.6	165.4	0	110.4	C317 C320 F324 C473	C317-K322 PolarHBondContact N-O 3.45Å; C320-K322 PolarHBondContact O-N 3.05Å; C320-K322 VanDerWaalsContact SG-CD 3.55Å; K322-F324 HydrophobicContact CB-CE2 3.58Å; K322-F324 HydrophobicContact CB-CZ 3.85Å; K322-F324 VanDerWaalsContact O-CD2 3.29Å; K322-F324 WeakPolarHBondContact O-CD2 3.34Å; K322-F324 VanDerWaalsContact O-CE2 3.22Å; K322-F324 WeakPolarHBondContact O-CE2 3.28Å; K322-C473 PolarHBondContact NZ-SG 3.35Å
323	R	72.2	Confident	69.9	Low	142 Å²	142	81.8 Å²	81.8	54%	0.536	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	129.5	-176.3	-52.1	-173.5	68.8	162.8	-2.8	110.3	R313 V316 Q321	R313-R323 HydrophobicContact CB-CB 4.41Å; R313-R323 PolarHBondContact O-NE 2.8Å; R313-R323 PolarHBondContact O-NH2 2.86Å; V316-R323 HydrophobicContact CG1-CG 4.33Å; V316-R323 HydrophobicContact CG2-CG 4.13Å; Q321-R323 WeakPolarHBondContact O-CG 3.37Å; Q321-R323 PolarHBondContact O-N 2.78Å
324	F	70.3	Confident	71.3	Confident	42 Å²	42	78.6 Å²	78.6	18%	0.184	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	140.3	-175.7	-64.9	-88.6	0	0	0	111.8	F315 C317 K322 K326 H329 L330 H333	F315-F324 HydrophobicContact CB-CB 4.31Å; F315-F324 WeakPolarHBondContact CB-O 3.28Å; F315-F324 PolarHBondContact O-N 2.79Å; C317-F324 HydrophobicContact CB-CE2 4.39Å; K322-F324 HydrophobicContact CB-CE2 3.58Å; K322-F324 HydrophobicContact CB-CZ 3.85Å; K322-F324 VanDerWaalsContact O-CD2 3.29Å; K322-F324 WeakPolarHBondContact O-CD2 3.34Å; K322-F324 VanDerWaalsContact O-CE2 3.22Å; K322-F324 WeakPolarHBondContact O-CE2 3.28Å; F324-K326 PolarHBondContact O-N 2.95Å; F324-H329 HydrophobicContact CB-CB 4.25Å; F324-H329 HydrophobicContact CD1-CB 3.79Å; F324-H329 HydrophobicContact CG-CB 4.33Å; F324-L330 HydrophobicContact CB-CB 4.18Å; F324-L330 HydrophobicContact CD2-CB 4.07Å; F324-L330 HydrophobicContact CD2-CD1 3.89Å; F324-L330 HydrophobicContact CE2-CD1 4.23Å; F324-L330 HydrophobicContact CG-CB 4.25Å; F324-H333 HydrophobicContact CE1-CB 3.92Å; F324-H333 HydrophobicContact CE2-CB 3.87Å; F324-H333 AromaticContact CE2-CD2 3.23Å; F324-H333 WeakPolarHBondContact CE2-CD2 3.43Å; F324-H333 AromaticContact CE2-CG 3.64Å; F324-H333 HydrophobicContact CZ-CB 3.43Å; F324-H333 VanDerWaalsContact CZ-CB 3.43Å; F324-H333 AromaticContact CZ-CD2 3.32Å; F324-H333 WeakPolarHBondContact CZ-CD2 3.48Å; F324-H333 AromaticContact CZ-CG 3.25Å; F324-H333 AromaticContact CZ-ND1 3.98Å
325	L	62.7	Low	72.6	Confident	119 Å²	119	72.4 Å²	72.4	62%	0.623	36%	0.363	S	S	*	.	S	Bend	trans	-72	-7.8	176.6	-60.1	173.5	0	0	0	113.5
326	K	68.7	Low	73.4	Confident	116 Å²	116	73.5 Å²	73.5	50%	0.504	38%	0.376	S	S	.	.	S	Bend	trans	-149.8	135.4	-176.2	-63.8	-178.1	-177.5	168.2	0	111.3	F324 S328 H329 L330	F324-K326 PolarHBondContact O-N 2.95Å; K326-S328 PolarHBondContact O-N 3.31Å; K326-H329 HydrophobicContact CB-CB 4.4Å; K326-H329 WeakPolarHBondContact O-CB 3.49Å; K326-H329 PolarHBondContact O-N 3.47Å; K326-L330 PolarHBondContact O-N 2.81Å; K326-L330 VanDerWaalsContact O-N 3.07Å
327	L	71.2	Confident	73.7	Confident	87 Å²	87	73.8 Å²	73.8	46%	0.455	37%	0.373	S	S	.	.	H	α-helix	trans	-54.6	-37.1	173.3	-179.5	57.7	0	0	0	112.8	F315 H329 L330 I331	F315-L327 HydrophobicContact CD1-CB 3.88Å; F315-L327 HydrophobicContact CD1-CD1 3.77Å; F315-L327 HydrophobicContact CD1-CG 4.36Å; F315-L327 HydrophobicContact CD2-CB 4.35Å; F315-L327 HydrophobicContact CE1-CB 3.7Å; F315-L327 HydrophobicContact CE1-CD1 3.95Å; F315-L327 HydrophobicContact CE1-CD2 4.35Å; F315-L327 HydrophobicContact CE1-CG 4.2Å; F315-L327 HydrophobicContact CE2-CB 4.17Å; F315-L327 HydrophobicContact CG-CB 4.21Å; F315-L327 HydrophobicContact CZ-CB 3.85Å; L327-H329 VanDerWaalsContact C-N 3.26Å; L327-H329 PolarHBondContact O-N 3.01Å; L327-L330 HydrophobicContact CD1-CD2 4.35Å; L327-L330 PolarHBondContact O-N 2.95Å; L327-I331 HydrophobicContact CD1-CD1 4.04Å; L327-I331 HydrophobicContact CD1-CG1 4.1Å; L327-I331 HydrophobicContact CD2-CD1 4.46Å; L327-I331 HydrophobicContact CG-CD1 3.82Å; L327-I331 HydrophobicContact CG-CG1 4.34Å; L327-I331 WeakPolarHBondContact O-CG1 3.23Å; L327-I331 PolarHBondContact O-N 3.5Å
328	S	71.1	Confident	73.8	Confident	76 Å²	76	76.6 Å²	76.6	53%	0.531	39%	0.391	S	S	.	.	H	α-helix	trans	-65.1	-28.2	176.3	56	0	0	0	0	113.6	K326 C332	K326-S328 PolarHBondContact O-N 3.31Å; S328-C332 VanDerWaalsContact O-CB 3.26Å; S328-C332 WeakPolarHBondContact O-CB 3.41Å; S328-C332 PolarHBondContact O-N 2.79Å; S328-C332 VanDerWaalsContact O-N 3.14Å
329	H	75.9	Confident	73.5	Confident	96 Å²	96	79.5 Å²	79.5	44%	0.444	39%	0.393	S	S	.	.	H	α-helix	trans	-80.1	-38.1	174.6	-64.5	-164.3	0	0	0	110.5	F324 K326 L327 C332 H333	F324-H329 HydrophobicContact CB-CB 4.25Å; F324-H329 HydrophobicContact CD1-CB 3.79Å; F324-H329 HydrophobicContact CG-CB 4.33Å; K326-H329 HydrophobicContact CB-CB 4.4Å; K326-H329 WeakPolarHBondContact O-CB 3.49Å; K326-H329 PolarHBondContact O-N 3.47Å; L327-H329 VanDerWaalsContact C-N 3.26Å; L327-H329 PolarHBondContact O-N 3.01Å; H329-C332 WeakPolarHBondContact O-CB 3.49Å; H329-C332 PolarHBondContact O-N 3.24Å; H329-H333 WeakPolarHBondContact O-CB 3.42Å; H329-H333 PolarHBondContact O-N 3.09Å
330	L	75.7	Confident	73.5	Confident	14 Å²	14	77.9 Å²	77.9	7%	0.073	39%	0.386	C	S	.	.	H	α-helix	trans	-60.3	-49	171.1	173.5	61.4	0	0	0	111.5	F315 V316 C317 F324 K326 L327 C332 H333 I334	F315-L330 HydrophobicContact CB-CB 3.95Å; F315-L330 HydrophobicContact CB-CD2 3.75Å; F315-L330 HydrophobicContact CB-CG 4.45Å; F315-L330 HydrophobicContact CD1-CD2 4.36Å; V316-L330 WeakPolarHBondContact O-CD2 3.21Å; C317-L330 HydrophobicContact CB-CD1 3.61Å; F324-L330 HydrophobicContact CB-CB 4.18Å; F324-L330 HydrophobicContact CD2-CB 4.07Å; F324-L330 HydrophobicContact CD2-CD1 3.89Å; F324-L330 HydrophobicContact CE2-CD1 4.23Å; F324-L330 HydrophobicContact CG-CB 4.25Å; K326-L330 PolarHBondContact O-N 2.81Å; K326-L330 VanDerWaalsContact O-N 3.07Å; L327-L330 HydrophobicContact CD1-CD2 4.35Å; L327-L330 PolarHBondContact O-N 2.95Å; L330-C332 VanDerWaalsContact C-N 3.31Å; L330-C332 PolarHBondContact O-N 3.33Å; L330-H333 CarbonylContact O-C 3.52Å; L330-H333 WeakPolarHBondContact O-CA 3.27Å; L330-H333 WeakPolarHBondContact O-CB 3.47Å; L330-H333 PolarHBondContact O-N 2.78Å; L330-I334 HydrophobicContact CD1-CD1 3.89Å; L330-I334 HydrophobicContact CD1-CG1 3.94Å; L330-I334 HydrophobicContact CD2-CD1 4.37Å; L330-I334 HydrophobicContact CG-CD1 3.79Å; L330-I334 HydrophobicContact CG-CG1 4.3Å; L330-I334 WeakPolarHBondContact O-CG1 3.29Å; L330-I334 PolarHBondContact O-N 3.19Å
331	I	74.4	Confident	73.5	Confident	75 Å²	75	83 Å²	83	39%	0.385	40%	0.399	S	S	.	.	H	α-helix	trans	-60.2	-42.2	176.8	-67.9	166.9	0	0	0	110.8	L327 H333 I334 R335	L327-I331 HydrophobicContact CD1-CD1 4.04Å; L327-I331 HydrophobicContact CD1-CG1 4.1Å; L327-I331 HydrophobicContact CD2-CD1 4.46Å; L327-I331 HydrophobicContact CG-CD1 3.82Å; L327-I331 HydrophobicContact CG-CG1 4.34Å; L327-I331 WeakPolarHBondContact O-CG1 3.23Å; L327-I331 PolarHBondContact O-N 3.5Å; I331-H333 PolarHBondContact O-N 3.39Å; I331-I334 PolarHBondContact O-N 2.95Å; I331-R335 WeakPolarHBondContact O-CG 3.39Å; I331-R335 PolarHBondContact O-N 3.15Å
332	C	76.6	Confident	73.7	Confident	47 Å²	47	79.7 Å²	79.7	32%	0.318	39%	0.389	S	S	.	.	H	α-helix	trans	-60.7	-31.1	173.7	-176.3	0	0	0	0	112.9	S328 H329 L330 T354	S328-C332 VanDerWaalsContact O-CB 3.26Å; S328-C332 WeakPolarHBondContact O-CB 3.41Å; S328-C332 PolarHBondContact O-N 2.79Å; S328-C332 VanDerWaalsContact O-N 3.14Å; H329-C332 WeakPolarHBondContact O-CB 3.49Å; H329-C332 PolarHBondContact O-N 3.24Å; L330-C332 VanDerWaalsContact C-N 3.31Å; L330-C332 PolarHBondContact O-N 3.33Å; C332-T354 WeakPolarHBondContact SG-CG2 3.21Å
333	H	75.5	Confident	74.1	Confident	22 Å²	22	80.2 Å²	80.2	10%	0.102	39%	0.389	C	S	.	.	H	α-helix	trans	-85.1	-34.8	179.3	173	57.3	0	0	0	113.3	C317 C320 F324 H329 L330 I331 R335 V336 H337	C317-H333 VanDerWaalsContact SG-CD2 3.52Å; C320-H333 PolarHBondContact SG-NE2 3.36Å; F324-H333 HydrophobicContact CE1-CB 3.92Å; F324-H333 HydrophobicContact CE2-CB 3.87Å; F324-H333 AromaticContact CE2-CD2 3.23Å; F324-H333 WeakPolarHBondContact CE2-CD2 3.43Å; F324-H333 AromaticContact CE2-CG 3.64Å; F324-H333 HydrophobicContact CZ-CB 3.43Å; F324-H333 VanDerWaalsContact CZ-CB 3.43Å; F324-H333 AromaticContact CZ-CD2 3.32Å; F324-H333 WeakPolarHBondContact CZ-CD2 3.48Å; F324-H333 AromaticContact CZ-CG 3.25Å; F324-H333 AromaticContact CZ-ND1 3.98Å; H329-H333 WeakPolarHBondContact O-CB 3.42Å; H329-H333 PolarHBondContact O-N 3.09Å; L330-H333 CarbonylContact O-C 3.52Å; L330-H333 WeakPolarHBondContact O-CA 3.27Å; L330-H333 WeakPolarHBondContact O-CB 3.47Å; L330-H333 PolarHBondContact O-N 2.78Å; I331-H333 PolarHBondContact O-N 3.39Å; H333-R335 PolarHBondContact O-N 3.37Å; H333-V336 WeakPolarHBondContact O-CB 3.41Å; H333-V336 WeakPolarHBondContact O-CG2 3.46Å; H333-V336 PolarHBondContact O-N 3.44Å; H333-H337 AromaticContact CD2-NE2 3.91Å; H333-H337 AromaticContact CE1-NE2 3.25Å; H333-H337 PolarHBondContact CE1-NE2 3.36Å; H333-H337 VanDerWaalsContact CE1-NE2 3.25Å; H333-H337 AromaticContact NE2-CD2 3.8Å; H333-H337 AromaticContact NE2-NE2 3.02Å; H333-H337 PolarHBondContact NE2-NE2 2.98Å
334	I	75.1	Confident	74.2	Confident	47 Å²	47	76.7 Å²	76.7	24%	0.241	38%	0.38	C	S	.	.	H	α-helix	trans	-56.9	-36	174	-72.5	167.3	0	0	0	110.5	F319 L330 I331 V336 H337 T338	F319-I334 HydrophobicContact CE2-CG2 4.38Å; L330-I334 HydrophobicContact CD1-CD1 3.89Å; L330-I334 HydrophobicContact CD1-CG1 3.94Å; L330-I334 HydrophobicContact CD2-CD1 4.37Å; L330-I334 HydrophobicContact CG-CD1 3.79Å; L330-I334 HydrophobicContact CG-CG1 4.3Å; L330-I334 WeakPolarHBondContact O-CG1 3.29Å; L330-I334 PolarHBondContact O-N 3.19Å; I331-I334 PolarHBondContact O-N 2.95Å; I334-V336 PolarHBondContact O-N 2.82Å; I334-V336 VanDerWaalsContact O-N 3.12Å; I334-H337 WeakPolarHBondContact O-CA 3.48Å; I334-H337 WeakPolarHBondContact O-CB 3.46Å; I334-H337 PolarHBondContact O-N 2.97Å; I334-T338 HydrophobicContact CG2-CG2 3.94Å; I334-T338 PolarHBondContact O-N 2.81Å; I334-T338 PolarHBondContact O-OG1 2.96Å
335	R	81.2	Confident	74.8	Confident	45 Å²	45	74.7 Å²	74.7	17%	0.17	37%	0.372	C	S	.	.	H	α-helix	trans	-61.9	-13.8	172.4	-65.4	-176.6	-178.6	145.2	6	115.7	I331 H333 K339 E340 A353	I331-R335 WeakPolarHBondContact O-CG 3.39Å; I331-R335 PolarHBondContact O-N 3.15Å; H333-R335 PolarHBondContact O-N 3.37Å; R335-K339 CarbonylContact O-C 3.2Å; R335-K339 VanDerWaalsContact O-CA 3.28Å; R335-K339 WeakPolarHBondContact O-CA 3.26Å; R335-K339 PolarHBondContact O-N 2.91Å; R335-E340 HydrophobicContact CB-CB 4.19Å; R335-E340 HydrophobicContact CG-CB 3.86Å; R335-E340 IonicContact NE-OE2 2.89Å; R335-E340 PolarHBondContact O-N 3.29Å; R335-A353 HydrophobicContact CB-CB 4.38Å; R335-A353 WeakPolarHBondContact CD-O 3.18Å; R335-A353 PolarHBondContact NH1-O 3.13Å
336	V	75.6	Confident	75.7	Confident	97 Å²	97	77.1 Å²	77.1	59%	0.588	38%	0.38	S	S	*	.	H	α-helix	trans	-75.3	-36.6	170	-175.9	0	0	0	0	110.1	H333 I334	H333-V336 WeakPolarHBondContact O-CB 3.41Å; H333-V336 WeakPolarHBondContact O-CG2 3.46Å; H333-V336 PolarHBondContact O-N 3.44Å; I334-V336 PolarHBondContact O-N 2.82Å; I334-V336 VanDerWaalsContact O-N 3.12Å
337	H	76.6	Confident	76	Confident	61 Å²	61	77.8 Å²	77.8	28%	0.282	38%	0.383	S	S	.	.	H	α-helix	trans	-81.1	-50.3	179	-57.7	-67.3	0	0	0	112	C317 F319 C320 H333 I334 K339	C317-H337 VanDerWaalsContact SG-CD2 3.5Å; F319-H337 HydrophobicContact CB-CB 4.02Å; F319-H337 VanDerWaalsContact CB-CG 3.5Å; F319-H337 HydrophobicContact CD1-CB 4.44Å; F319-H337 HydrophobicContact CD2-CB 3.7Å; F319-H337 AromaticContact CD2-CD2 3.88Å; F319-H337 AromaticContact CD2-CG 3.89Å; F319-H337 HydrophobicContact CE2-CB 4.26Å; F319-H337 HydrophobicContact CG-CB 3.8Å; F319-H337 AromaticContact CG-CG 3.84Å; C320-H337 PolarHBondContact SG-CE1 3.1Å; C320-H337 PolarHBondContact SG-NE2 2.88Å; H333-H337 AromaticContact CD2-NE2 3.91Å; H333-H337 AromaticContact CE1-NE2 3.25Å; H333-H337 PolarHBondContact CE1-NE2 3.36Å; H333-H337 VanDerWaalsContact CE1-NE2 3.25Å; H333-H337 AromaticContact NE2-CD2 3.8Å; H333-H337 AromaticContact NE2-NE2 3.02Å; H333-H337 PolarHBondContact NE2-NE2 2.98Å; I334-H337 WeakPolarHBondContact O-CA 3.48Å; I334-H337 WeakPolarHBondContact O-CB 3.46Å; I334-H337 PolarHBondContact O-N 2.97Å; H337-K339 PolarHBondContact O-N 3.38Å; H337-K339 VanDerWaalsContact O-N 3.17Å
338	T	75.6	Confident	76.5	Confident	60 Å²	60	74.6 Å²	74.6	37%	0.368	37%	0.367	S	S	.	.	S	Bend	trans	-72.2	-5.1	176.2	65.2	0	0	0	0	113	I334 E340	I334-T338 HydrophobicContact CG2-CG2 3.94Å; I334-T338 PolarHBondContact O-N 2.81Å; I334-T338 PolarHBondContact O-OG1 2.96Å; T338-E340 WeakPolarHBondContact CB-OE1 3.22Å; T338-E340 PolarHBondContact O-N 3.4Å; T338-E340 WeakPolarHBondContact OG1-CB 3.31Å; T338-E340 VanDerWaalsContact OG1-CD 3.27Å; T338-E340 WeakPolarHBondContact OG1-CG 3.39Å; T338-E340 PolarHBondContact OG1-OE1 3.14Å
339	K	71.6	Confident	76.9	Confident	148 Å²	148	78.8 Å²	78.8	64%	0.643	37%	0.372	S	S	*	.			trans	54.5	11.2	-175.3	-62.2	175	-177.3	173.2	0	114.3	R335 H337 R341	R335-K339 CarbonylContact O-C 3.2Å; R335-K339 VanDerWaalsContact O-CA 3.28Å; R335-K339 WeakPolarHBondContact O-CA 3.26Å; R335-K339 PolarHBondContact O-N 2.91Å; H337-K339 PolarHBondContact O-N 3.38Å; H337-K339 VanDerWaalsContact O-N 3.17Å; K339-R341 PolarHBondContact O-N 3.27Å
340	E	69.9	Low	77	Confident	90 Å²	90	81.6 Å²	81.6	42%	0.421	38%	0.378	S	S	.	.			trans	-56	130.4	-179.8	-88.5	170.7	-112.4	0	0	113	R335 T338 P342	R335-E340 HydrophobicContact CB-CB 4.19Å; R335-E340 HydrophobicContact CG-CB 3.86Å; R335-E340 IonicContact NE-OE2 2.89Å; R335-E340 PolarHBondContact O-N 3.29Å; T338-E340 WeakPolarHBondContact CB-OE1 3.22Å; T338-E340 PolarHBondContact O-N 3.4Å; T338-E340 WeakPolarHBondContact OG1-CB 3.31Å; T338-E340 VanDerWaalsContact OG1-CD 3.27Å; T338-E340 WeakPolarHBondContact OG1-CG 3.39Å; T338-E340 PolarHBondContact OG1-OE1 3.14Å; E340-P342 HydrophobicContact CB-CG 4.5Å
341	R	78.1	Confident	77.3	Confident	156 Å²	156	86.9 Å²	86.9	59%	0.589	40%	0.397	S	S	*	.			trans	-129	81	175.2	-71.7	169.6	167.6	-164.7	1.3	110	K339 R351 F352	K339-R341 PolarHBondContact O-N 3.27Å; R341-R351 HydrophobicContact CB-CB 3.5Å; R341-R351 VanDerWaalsContact CB-CB 3.5Å; R341-R351 WeakPolarHBondContact CD-O 3.42Å; R341-R351 PolarHBondContact O-NE 3.14Å; R341-F352 CarbonylContact C-O 3.58Å; R341-F352 WeakPolarHBondContact CA-O 3.35Å
342	P	77.3	Confident	77.6	Confident	60 Å²	60	85.2 Å²	85.2	39%	0.39	39%	0.387	S	S	.	.			trans	-77.4	-16.8	-172.4	-17.6	33.6	0	0	0	114.8	E340	E340-P342 HydrophobicContact CB-CG 4.5Å
343	Y	80	Confident	77.6	Confident	84 Å²	84	84.3 Å²	84.3	33%	0.329	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	107.8	-175.9	-60.3	-80.9	0	0	0	110	R351 F352 T354	Y343-R351 CarbonylContact O-C 3.55Å; Y343-F352 PolarHBondContact N-O 3.42Å; Y343-F352 PolarHBondContact O-N 3.18Å; Y343-T354 VanDerWaalsContact CD2-CA 3.42Å
344	I	76.3	Confident	77.7	Confident	68 Å²	68	84.7 Å²	84.7	35%	0.349	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	139.2	-176.4	-54.3	-176.5	0	0	0	109.2	R349 R351 L358	I344-R349 HydrophobicContact CG2-CB 3.85Å; I344-R351 HydrophobicContact CG1-CG 4.29Å; I344-L358 WeakPolarHBondContact O-CD2 3.4Å
345	C	82.5	Confident	77.9	Confident	0 Å²	0	85 Å²	85	0%	0	39%	0.393	C	S	.	.			trans	-84.1	123.2	169.9	-177.5	0	0	0	0	111.1	F347 C348 R349 R350 F352 L358 H361 M362 H365	C345-F347 PolarHBondContact O-N 2.82Å; C345-C348 PolarHBondContact O-N 3.33Å; C345-R349 WeakPolarHBondContact O-CA 3.24Å; C345-R349 PolarHBondContact O-N 2.9Å; C345-R350 PolarHBondContact N-O 3.47Å; C345-F352 HydrophobicContact CB-CE2 4.38Å; C345-L358 HydrophobicContact CB-CD1 3.68Å; C345-H361 PolarHBondContact SG-NE2 3.46Å; C345-H361 VanDerWaalsContact SG-NE2 3.45Å; C345-M362 HydrophobicContact CB-SD 4.35Å; C345-H365 VanDerWaalsContact SG-CD2 3.58Å; C345-H365 PolarHBondContact SG-NE2 3.28Å
346	H	80.5	Confident	77.8	Confident	171 Å²	171	86 Å²	86	79%	0.792	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-24.9	-179.2	-63.3	-76.5	0	0	0	114
347	F	76.1	Confident	78	Confident	129 Å²	129	83.7 Å²	83.7	57%	0.566	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-14.6	-177.7	-61.8	-63.6	0	0	0	115.7	C345 M362 H365	C345-F347 PolarHBondContact O-N 2.82Å; F347-M362 HydrophobicContact CD2-CE 3.5Å; F347-M362 HydrophobicContact CE2-CE 3.53Å; F347-H365 HydrophobicContact CD2-CB 4.14Å
348	C	80.7	Confident	78.3	Confident	20 Å²	20	82 Å²	82	14%	0.135	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-154.7	14.9	175.6	66.3	0	0	0	0	114.6	C345 R350 H361 H365	C345-C348 PolarHBondContact O-N 3.33Å; C348-R350 PolarHBondContact O-N 3.34Å; C348-H361 PolarHBondContact SG-NE2 2.89Å; C348-H365 WeakPolarHBondContact CB-CE1 3.4Å; C348-H365 PolarHBondContact SG-CE1 3.2Å; C348-H365 PolarHBondContact SG-NE2 2.89Å
349	R	79.3	Confident	78.6	Confident	165 Å²	165	86.5 Å²	86.5	62%	0.623	40%	0.397	S	S	*	.			trans	44	9.9	-176	-22.8	-177.4	177.8	176.6	-2.4	117.9	I344 C345 R351 T551	I344-R349 HydrophobicContact CG2-CB 3.85Å; C345-R349 WeakPolarHBondContact O-CA 3.24Å; C345-R349 PolarHBondContact O-N 2.9Å; R349-R351 VanDerWaalsContact O-CG 3.29Å; R349-R351 WeakPolarHBondContact O-CG 3.44Å; R349-R351 PolarHBondContact O-N 2.85Å; R349-T551 HydrophobicContact CB-CG2 3.38Å; R349-T551 HydrophobicContact CG-CG2 3.53Å
350	R	78	Confident	79	Confident	154 Å²	154	81.6 Å²	81.6	58%	0.581	38%	0.378	S	S	*	.			trans	-52.1	131.4	170.6	-67.9	-174.4	90.7	164.6	10.8	109.5	C345 C348 F352	C345-R350 PolarHBondContact N-O 3.47Å; C348-R350 PolarHBondContact O-N 3.34Å; R350-F352 HydrophobicContact CB-CE2 3.79Å; R350-F352 HydrophobicContact CB-CZ 4.04Å; R350-F352 VanDerWaalsContact O-CD2 3.28Å; R350-F352 WeakPolarHBondContact O-CD2 2.97Å; R350-F352 WeakPolarHBondContact O-CE2 3.46Å
351	R	82.4	Confident	79.6	Confident	125 Å²	125	78.2 Å²	78.2	47%	0.472	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	136.1	-170.3	-51.6	-177.1	68.8	154.7	2.7	110.6	R341 Y343 I344 R349	R341-R351 HydrophobicContact CB-CB 3.5Å; R341-R351 VanDerWaalsContact CB-CB 3.5Å; R341-R351 WeakPolarHBondContact CD-O 3.42Å; R341-R351 PolarHBondContact O-NE 3.14Å; Y343-R351 CarbonylContact O-C 3.55Å; I344-R351 HydrophobicContact CG1-CG 4.29Å; R349-R351 VanDerWaalsContact O-CG 3.29Å; R349-R351 WeakPolarHBondContact O-CG 3.44Å; R349-R351 PolarHBondContact O-N 2.85Å
352	F	80.6	Confident	79.7	Confident	40 Å²	40	73.7 Å²	73.7	18%	0.175	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	145.7	-175	-62.3	-89.9	0	0	0	112.1	R341 Y343 C345 R350 T354 L358 H361	R341-F352 CarbonylContact C-O 3.58Å; R341-F352 WeakPolarHBondContact CA-O 3.35Å; Y343-F352 PolarHBondContact N-O 3.42Å; Y343-F352 PolarHBondContact O-N 3.18Å; C345-F352 HydrophobicContact CB-CE2 4.38Å; R350-F352 HydrophobicContact CB-CE2 3.79Å; R350-F352 HydrophobicContact CB-CZ 4.04Å; R350-F352 VanDerWaalsContact O-CD2 3.28Å; R350-F352 WeakPolarHBondContact O-CD2 2.97Å; R350-F352 WeakPolarHBondContact O-CE2 3.46Å; F352-T354 VanDerWaalsContact C-N 3.32Å; F352-T354 PolarHBondContact O-N 3.14Å; F352-L358 HydrophobicContact CB-CB 4.18Å; F352-L358 HydrophobicContact CD2-CB 4.15Å; F352-L358 HydrophobicContact CD2-CD1 3.79Å; F352-L358 HydrophobicContact CE2-CD1 4.09Å; F352-L358 HydrophobicContact CG-CB 4.24Å; F352-H361 HydrophobicContact CE1-CB 3.88Å; F352-H361 HydrophobicContact CE2-CB 4.13Å; F352-H361 AromaticContact CE2-CD2 3.18Å; F352-H361 WeakPolarHBondContact CE2-CD2 3.32Å; F352-H361 AromaticContact CE2-CG 3.75Å; F352-H361 AromaticContact CE2-NE2 3.85Å; F352-H361 HydrophobicContact CZ-CB 3.53Å; F352-H361 AromaticContact CZ-CD2 3.23Å; F352-H361 WeakPolarHBondContact CZ-CD2 3.2Å; F352-H361 AromaticContact CZ-CG 3.28Å; F352-H361 AromaticContact CZ-ND1 4Å; F352-H361 AromaticContact CZ-NE2 3.89Å
353	A	75.9	Confident	79.8	Confident	28 Å²	28	73.2 Å²	73.2	23%	0.231	34%	0.344	C	S	.	.	S	Bend	trans	-74.3	-18.6	178.3	0	0	0	0	0	113.8	R335	R335-A353 HydrophobicContact CB-CB 4.38Å; R335-A353 WeakPolarHBondContact CD-O 3.18Å; R335-A353 PolarHBondContact NH1-O 3.13Å
354	T	78.5	Confident	79.7	Confident	30 Å²	30	71.7 Å²	71.7	18%	0.184	35%	0.346	C	S	.	.	S	Bend	trans	-138.5	151	-179.4	82.4	0	0	0	0	113	C332 Y343 F352 S356 T357 L358	C332-T354 WeakPolarHBondContact SG-CG2 3.21Å; Y343-T354 VanDerWaalsContact CD2-CA 3.42Å; F352-T354 VanDerWaalsContact C-N 3.32Å; F352-T354 PolarHBondContact O-N 3.14Å; T354-S356 PolarHBondContact O-N 3.25Å; T354-S356 PolarHBondContact OG1-N 2.73Å; T354-T357 PolarHBondContact N-OG1 2.75Å; T354-T357 PolarHBondContact O-N 3.07Å; T354-T357 PolarHBondContact O-OG1 3.33Å; T354-T357 VanDerWaalsContact O-OG1 3.05Å; T354-T357 PolarHBondContact OG1-N 3.46Å; T354-T357 PolarHBondContact OG1-OG1 3.46Å; T354-L358 PolarHBondContact O-N 2.81Å
355	S	79.6	Confident	79.9	Confident	53 Å²	53	71.5 Å²	71.5	37%	0.371	34%	0.344	S	S	.	.	H	α-helix	trans	-62.4	-30	171.8	174.9	0	0	0	0	112.7	R359	S355-R359 WeakPolarHBondContact O-CB 3.35Å; S355-R359 PolarHBondContact O-N 3.39Å
356	S	78.4	Confident	79.3	Confident	66 Å²	66	75 Å²	75	46%	0.462	37%	0.368	S	S	.	.	H	α-helix	trans	-66.5	-50.2	175.5	-56.1	0	0	0	0	111	T354 L358 R359 D360	T354-S356 PolarHBondContact O-N 3.25Å; T354-S356 PolarHBondContact OG1-N 2.73Å; S356-L358 VanDerWaalsContact C-N 3.31Å; S356-L358 PolarHBondContact O-N 2.73Å; S356-R359 WeakPolarHBondContact O-CB 3.39Å; S356-R359 PolarHBondContact O-N 3.17Å; S356-D360 PolarHBondContact O-N 2.93Å
357	T	80.5	Confident	78.4	Confident	50 Å²	50	75.7 Å²	75.7	31%	0.307	37%	0.369	S	S	.	.	H	α-helix	trans	-66.4	-31.3	178.5	47.3	0	0	0	0	112.9	T354 H361	T354-T357 PolarHBondContact N-OG1 2.75Å; T354-T357 PolarHBondContact O-N 3.07Å; T354-T357 PolarHBondContact O-OG1 3.33Å; T354-T357 VanDerWaalsContact O-OG1 3.05Å; T354-T357 PolarHBondContact OG1-N 3.46Å; T354-T357 PolarHBondContact OG1-OG1 3.46Å; T357-H361 PolarHBondContact O-N 2.91Å
358	L	83.3	Confident	78	Confident	26 Å²	26	75.6 Å²	75.6	14%	0.136	37%	0.368	C	S	.	.	H	α-helix	trans	-61.9	-49.7	166.5	173.5	60.2	0	0	0	111.1	I344 C345 F352 T354 S356 D360 H361 M362	I344-L358 WeakPolarHBondContact O-CD2 3.4Å; C345-L358 HydrophobicContact CB-CD1 3.68Å; F352-L358 HydrophobicContact CB-CB 4.18Å; F352-L358 HydrophobicContact CD2-CB 4.15Å; F352-L358 HydrophobicContact CD2-CD1 3.79Å; F352-L358 HydrophobicContact CE2-CD1 4.09Å; F352-L358 HydrophobicContact CG-CB 4.24Å; T354-L358 PolarHBondContact O-N 2.81Å; S356-L358 VanDerWaalsContact C-N 3.31Å; S356-L358 PolarHBondContact O-N 2.73Å; L358-D360 VanDerWaalsContact C-N 3.34Å; L358-D360 PolarHBondContact O-N 2.93Å; L358-H361 CarbonylContact O-C 3.58Å; L358-H361 WeakPolarHBondContact O-CA 3.23Å; L358-H361 WeakPolarHBondContact O-CB 3.32Å; L358-H361 PolarHBondContact O-N 3.44Å; L358-M362 HydrophobicContact CD1-CG 4.38Å; L358-M362 HydrophobicContact CD1-SD 3.69Å; L358-M362 HydrophobicContact CG-CG 4.39Å; L358-M362 HydrophobicContact CG-SD 4.21Å; L358-M362 WeakPolarHBondContact O-CG 3.33Å; L358-M362 PolarHBondContact O-N 3.3Å
359	R	81.1	Confident	77.7	Confident	153 Å²	153	82.5 Å²	82.5	58%	0.577	39%	0.391	S	S	*	.	H	α-helix	trans	-59.9	-42.4	-179.6	-168.9	-170.9	-54.1	136.2	12.9	112.7	S355 S356 H361 M362 T363	S355-R359 WeakPolarHBondContact O-CB 3.35Å; S355-R359 PolarHBondContact O-N 3.39Å; S356-R359 WeakPolarHBondContact O-CB 3.39Å; S356-R359 PolarHBondContact O-N 3.17Å; R359-H361 PolarHBondContact O-N 2.8Å; R359-M362 PolarHBondContact O-N 3.18Å; R359-M362 VanDerWaalsContact O-N 3.14Å; R359-T363 PolarHBondContact O-N 3.23Å
360	D	80.4	Confident	77.7	Confident	45 Å²	45	79.4 Å²	79.4	24%	0.241	39%	0.387	C	S	.	.	H	α-helix	trans	-65.8	-14.2	176.2	-53	-33.4	0	0	0	113	S356 L358 T363 L382 R384	S356-D360 PolarHBondContact O-N 2.93Å; L358-D360 VanDerWaalsContact C-N 3.34Å; L358-D360 PolarHBondContact O-N 2.93Å; D360-T363 PolarHBondContact O-OG1 3.17Å; D360-L382 HydrophobicContact CB-CD1 4.04Å; D360-L382 HydrophobicContact CB-CD2 4.29Å; D360-R384 IonicContact OD2-CZ 3.94Å; D360-R384 IonicContact OD2-NH1 3.82Å; D360-R384 PolarHBondContact OD2-NH1 2.8Å; D360-R384 IonicContact OD2-NH2 3.91Å; D360-R384 PolarHBondContact OD2-NH2 2.66Å
361	H	82.1	Confident	77.9	Confident	20 Å²	20	75 Å²	75	9%	0.093	37%	0.372	C	S	.	.	H	α-helix	trans	-97.9	-28.6	172.1	163.8	63	0	0	0	112.5	C345 C348 F352 T357 L358 R359 T363 S364 H365	C345-H361 PolarHBondContact SG-NE2 3.46Å; C345-H361 VanDerWaalsContact SG-NE2 3.45Å; C348-H361 PolarHBondContact SG-NE2 2.89Å; F352-H361 HydrophobicContact CE1-CB 3.88Å; F352-H361 HydrophobicContact CE2-CB 4.13Å; F352-H361 AromaticContact CE2-CD2 3.18Å; F352-H361 WeakPolarHBondContact CE2-CD2 3.32Å; F352-H361 AromaticContact CE2-CG 3.75Å; F352-H361 AromaticContact CE2-NE2 3.85Å; F352-H361 HydrophobicContact CZ-CB 3.53Å; F352-H361 AromaticContact CZ-CD2 3.23Å; F352-H361 WeakPolarHBondContact CZ-CD2 3.2Å; F352-H361 AromaticContact CZ-CG 3.28Å; F352-H361 AromaticContact CZ-ND1 4Å; F352-H361 AromaticContact CZ-NE2 3.89Å; T357-H361 PolarHBondContact O-N 2.91Å; L358-H361 CarbonylContact O-C 3.58Å; L358-H361 WeakPolarHBondContact O-CA 3.23Å; L358-H361 WeakPolarHBondContact O-CB 3.32Å; L358-H361 PolarHBondContact O-N 3.44Å; R359-H361 PolarHBondContact O-N 2.8Å; H361-T363 PolarHBondContact O-N 3.37Å; H361-T363 VanDerWaalsContact O-N 3.16Å; H361-S364 PolarHBondContact ND1-OG 2.98Å; H361-S364 PolarHBondContact O-N 3.29Å; H361-S364 PolarHBondContact O-OG 3.25Å; H361-H365 AromaticContact CD2-NE2 3.26Å; H361-H365 PolarHBondContact CD2-NE2 3.38Å; H361-H365 VanDerWaalsContact CD2-NE2 3.26Å; H361-H365 AromaticContact CE1-CD2 3.87Å; H361-H365 AromaticContact CE1-NE2 2.62Å; H361-H365 PolarHBondContact CE1-NE2 3.29Å; H361-H365 AromaticContact ND1-NE2 3.69Å; H361-H365 AromaticContact NE2-CD2 3.83Å; H361-H365 AromaticContact NE2-NE2 2.23Å; H361-H365 PolarHBondContact NE2-NE2 3.06Å
362	M	80	Confident	77.8	Confident	60 Å²	60	77.8 Å²	77.8	30%	0.296	38%	0.383	S	S	.	.	H	α-helix	trans	-55.3	-34.7	171.3	-59.9	-51.7	-66	0	0	111.3	C345 F347 L358 R359 S364 H365	C345-M362 HydrophobicContact CB-SD 4.35Å; F347-M362 HydrophobicContact CD2-CE 3.5Å; F347-M362 HydrophobicContact CE2-CE 3.53Å; L358-M362 HydrophobicContact CD1-CG 4.38Å; L358-M362 HydrophobicContact CD1-SD 3.69Å; L358-M362 HydrophobicContact CG-CG 4.39Å; L358-M362 HydrophobicContact CG-SD 4.21Å; L358-M362 WeakPolarHBondContact O-CG 3.33Å; L358-M362 PolarHBondContact O-N 3.3Å; R359-M362 PolarHBondContact O-N 3.18Å; R359-M362 VanDerWaalsContact O-N 3.14Å; M362-S364 VanDerWaalsContact C-N 3.28Å; M362-S364 PolarHBondContact O-N 3.09Å; M362-H365 PolarHBondContact O-N 3.37Å
363	T	80.4	Confident	78	Confident	50 Å²	50	76 Å²	76	31%	0.307	38%	0.375	S	S	.	.	H	α-helix	trans	-67.4	-19.6	174.9	49.9	0	0	0	0	114.5	R359 D360 H361 H365 S366 V381 L382	R359-T363 PolarHBondContact O-N 3.23Å; D360-T363 PolarHBondContact O-OG1 3.17Å; H361-T363 PolarHBondContact O-N 3.37Å; H361-T363 VanDerWaalsContact O-N 3.16Å; T363-H365 VanDerWaalsContact C-N 3.34Å; T363-S366 PolarHBondContact O-OG 2.83Å; T363-V381 VanDerWaalsContact C-CG1 3.42Å; T363-V381 WeakPolarHBondContact O-CG1 3.26Å; T363-L382 WeakPolarHBondContact OG1-CD2 2.91Å
364	S	77.9	Confident	78.2	Confident	53 Å²	53	81.1 Å²	81.1	37%	0.371	40%	0.398	S	S	.	.	H	α-helix	trans	-75.4	-23.1	173.2	56.9	0	0	0	0	113.2	H361 M362 K367	H361-S364 PolarHBondContact ND1-OG 2.98Å; H361-S364 PolarHBondContact O-N 3.29Å; H361-S364 PolarHBondContact O-OG 3.25Å; M362-S364 VanDerWaalsContact C-N 3.28Å; M362-S364 PolarHBondContact O-N 3.09Å; S364-K367 PolarHBondContact O-N 3.02Å
365	H	78.8	Confident	78.3	Confident	64 Å²	64	84.4 Å²	84.4	30%	0.296	41%	0.414	S	S	.	.	H	α-helix	trans	-71	-35.6	176.2	-73	-68.9	0	0	0	112.7	C345 F347 C348 H361 M362 T363 K367	C345-H365 VanDerWaalsContact SG-CD2 3.58Å; C345-H365 PolarHBondContact SG-NE2 3.28Å; F347-H365 HydrophobicContact CD2-CB 4.14Å; C348-H365 WeakPolarHBondContact CB-CE1 3.4Å; C348-H365 PolarHBondContact SG-CE1 3.2Å; C348-H365 PolarHBondContact SG-NE2 2.89Å; H361-H365 AromaticContact CD2-NE2 3.26Å; H361-H365 PolarHBondContact CD2-NE2 3.38Å; H361-H365 VanDerWaalsContact CD2-NE2 3.26Å; H361-H365 AromaticContact CE1-CD2 3.87Å; H361-H365 AromaticContact CE1-NE2 2.62Å; H361-H365 PolarHBondContact CE1-NE2 3.29Å; H361-H365 AromaticContact ND1-NE2 3.69Å; H361-H365 AromaticContact NE2-CD2 3.83Å; H361-H365 AromaticContact NE2-NE2 2.23Å; H361-H365 PolarHBondContact NE2-NE2 3.06Å; M362-H365 PolarHBondContact O-N 3.37Å; T363-H365 VanDerWaalsContact C-N 3.34Å; H365-K367 PolarHBondContact O-N 3.29Å
366	S	71.4	Confident	78.3	Confident	74 Å²	74	84 Å²	84	52%	0.517	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-2.9	177.3	37	0	0	0	0	115.2	T363 K368	T363-S366 PolarHBondContact O-OG 2.83Å; S366-K368 PolarHBondContact O-N 3.09Å
367	K	61.5	Low	78.2	Confident	185 Å²	185	84 Å²	84	80%	0.804	41%	0.414	S	S	*	.			trans	51.9	-15.2	-170.8	-70.6	-177.7	178.2	176.1	0	116.6	S364 H365 R369	S364-K367 PolarHBondContact O-N 3.02Å; H365-K367 PolarHBondContact O-N 3.29Å; K367-R369 PolarHBondContact O-N 3.3Å
368	K	67.9	Low	78	Confident	126 Å²	126	88 Å²	88	55%	0.548	43%	0.427	S	S	.	.			trans	-63	112.7	-175.7	-157.2	173.2	-171.6	-80.7	0	112	S366 D370	S366-K368 PolarHBondContact O-N 3.09Å; K368-D370 WeakPolarHBondContact CG-OD1 3.38Å; K368-D370 IonicContact NZ-OD1 3.31Å; K368-D370 PolarHBondContact NZ-OD1 3.27Å; K368-D370 IonicContact NZ-OD2 3.15Å; K368-D370 PolarHBondContact NZ-OD2 3.34Å; K368-D370 VanDerWaalsContact NZ-OD2 3.07Å; K368-D370 PolarHBondContact O-N 3.11Å
369	R	74.4	Confident	77.9	Confident	166 Å²	166	88.1 Å²	88.1	63%	0.626	43%	0.431	S	S	*	.			trans	-98.9	63.1	-178.5	-72.5	171.7	173	-165.6	2.1	111	K367 F371 S379 F380 V381	K367-R369 PolarHBondContact O-N 3.3Å; R369-F371 PolarHBondContact O-N 3.45Å; R369-S379 WeakPolarHBondContact CD-O 3.33Å; R369-F380 CarbonylContact C-O 3.53Å; R369-F380 WeakPolarHBondContact CA-O 3.4Å; R369-V381 HydrophobicContact CG-CG2 3.98Å
370	D	78.8	Confident	78	Confident	99 Å²	99	83.1 Å²	83.1	53%	0.529	41%	0.413	S	S	.	.			trans	-57.3	-17.3	-172.9	-80.4	-26.3	0	0	0	115.9	K368 F380	K368-D370 WeakPolarHBondContact CG-OD1 3.38Å; K368-D370 IonicContact NZ-OD1 3.31Å; K368-D370 PolarHBondContact NZ-OD1 3.27Å; K368-D370 IonicContact NZ-OD2 3.15Å; K368-D370 PolarHBondContact NZ-OD2 3.34Å; K368-D370 VanDerWaalsContact NZ-OD2 3.07Å; K368-D370 PolarHBondContact O-N 3.11Å; D370-F380 PolarHBondContact N-O 3.47Å
371	F	81.6	Confident	78	Confident	61 Å²	61	82.7 Å²	82.7	27%	0.268	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	76.9	-173.5	-55.6	-78.9	0	0	0	110.9	R369 F380 Q383 L386	R369-F371 PolarHBondContact O-N 3.45Å; F371-F380 HydrophobicContact CB-CB 4.26Å; F371-F380 WeakPolarHBondContact CB-O 3.28Å; F371-F380 WeakPolarHBondContact CD2-O 3.47Å; F371-F380 PolarHBondContact N-O 2.95Å; F371-F380 WeakPolarHBondContact O-CD2 3.44Å; F371-F380 PolarHBondContact O-N 3.38Å; F371-Q383 HydrophobicContact CD1-CB 3.85Å; F371-Q383 HydrophobicContact CD1-CG 4.44Å; F371-Q383 VanDerWaalsContact CD2-N 3.29Å; F371-Q383 HydrophobicContact CE1-CB 3.71Å; F371-Q383 HydrophobicContact CE1-CG 4.43Å; F371-Q383 VanDerWaalsContact CE1-OE1 3.28Å; F371-Q383 HydrophobicContact CG-CB 4.36Å; F371-Q383 HydrophobicContact CZ-CB 4.11Å; F371-L386 HydrophobicContact CB-CB 3.96Å; F371-L386 HydrophobicContact CB-CD2 3.85Å
372	R	80.6	Confident	77.9	Confident	185 Å²	185	83.1 Å²	83.1	70%	0.698	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.5	137	174	-177.9	175.6	-74.5	-176.7	-2.1	111.7	S379	R372-S379 WeakPolarHBondContact CB-OG 3.28Å
373	C	84.7	Confident	78	Confident	1 Å²	1	84.6 Å²	84.6	1%	0.007	42%	0.421	C	S	.	.			trans	-80.6	130.7	165.2	-179.8	0	0	0	0	110.9	I375 A377 K378 L386 H389 M390 H393	C373-I375 VanDerWaalsContact C-N 3.27Å; C373-I375 PolarHBondContact O-N 3.44Å; C373-I375 PolarHBondContact SG-N 2.9Å; C373-I375 VanDerWaalsContact SG-N 3.41Å; C373-A377 WeakPolarHBondContact O-CA 3.35Å; C373-A377 PolarHBondContact O-N 3.5Å; C373-K378 VanDerWaalsContact CB-O 3.26Å; C373-K378 WeakPolarHBondContact CB-O 2.94Å; C373-K378 PolarHBondContact N-O 3.1Å; C373-L386 HydrophobicContact CB-CD1 3.78Å; C373-H389 WeakPolarHBondContact CB-NE2 3.27Å; C373-H389 PolarHBondContact SG-NE2 3.18Å; C373-M390 VanDerWaalsContact SG-SD 3.64Å; C373-H393 PolarHBondContact SG-CD2 2.98Å; C373-H393 PolarHBondContact SG-NE2 3.43Å
374	N	80.8	Confident	78.1	Confident	136 Å²	136	88.8 Å²	88.8	73%	0.727	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-0.9	179.7	65.7	-56.9	0	0	0	114.9	M390	N374-M390 WeakPolarHBondContact OD1-CE 3.36Å
375	I	81	Confident	78.3	Confident	100 Å²	100	87.4 Å²	87.4	51%	0.513	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116	-25.9	-174.4	-57.1	174.1	0	0	0	112.6	C373 M390 H393	C373-I375 VanDerWaalsContact C-N 3.27Å; C373-I375 PolarHBondContact O-N 3.44Å; C373-I375 PolarHBondContact SG-N 2.9Å; C373-I375 VanDerWaalsContact SG-N 3.41Å; I375-M390 HydrophobicContact CD1-CE 3.83Å; I375-M390 HydrophobicContact CG1-CE 4.45Å; I375-H393 HydrophobicContact CB-CB 4.47Å; I375-H393 HydrophobicContact CD1-CB 3.62Å; I375-H393 HydrophobicContact CG2-CB 4.23Å; I375-H393 WeakPolarHBondContact CG2-ND1 3.44Å
376	C	79.1	Confident	78.6	Confident	43 Å²	43	85.2 Å²	85.2	29%	0.291	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.3	25	176.9	72	0	0	0	0	114.4	K378 H389 H393	C376-K378 PolarHBondContact O-N 3.21Å; C376-H389 PolarHBondContact SG-CE1 3.24Å; C376-H389 PolarHBondContact SG-NE2 3.48Å; C376-H393 WeakPolarHBondContact CB-CE1 2.82Å; C376-H393 PolarHBondContact SG-CE1 3.16Å; C376-H393 PolarHBondContact SG-NE2 3.46Å
377	A	75.1	Confident	79.1	Confident	66 Å²	66	86.3 Å²	86.3	55%	0.545	41%	0.412	S	S	.	.			trans	57.2	-12.4	-179.6	0	0	0	0	0	117.7	C373 S379	C373-A377 WeakPolarHBondContact O-CA 3.35Å; C373-A377 PolarHBondContact O-N 3.5Å; A377-S379 PolarHBondContact O-N 3.37Å; A377-S379 VanDerWaalsContact O-N 3.14Å; A377-S379 PolarHBondContact O-OG 3.03Å
378	K	77.2	Confident	79.9	Confident	135 Å²	135	85.2 Å²	85.2	59%	0.587	40%	0.403	S	S	*	.			trans	-55.4	119.8	-178.5	-70.6	179.5	-173.6	179.4	0	110.1	C373 C376 F380	C373-K378 VanDerWaalsContact CB-O 3.26Å; C373-K378 WeakPolarHBondContact CB-O 2.94Å; C373-K378 PolarHBondContact N-O 3.1Å; C376-K378 PolarHBondContact O-N 3.21Å; K378-F380 HydrophobicContact CB-CE2 4.03Å; K378-F380 HydrophobicContact CB-CZ 4.09Å; K378-F380 WeakPolarHBondContact O-CD2 3.47Å; K378-F380 WeakPolarHBondContact O-CE2 3.21Å
379	S	81.9	Confident	80.7	Confident	29 Å²	29	79.8 Å²	79.8	20%	0.203	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	136.5	-171.1	-60.6	0	0	0	0	111.2	R369 R372 A377	R369-S379 WeakPolarHBondContact CD-O 3.33Å; R372-S379 WeakPolarHBondContact CB-OG 3.28Å; A377-S379 PolarHBondContact O-N 3.37Å; A377-S379 VanDerWaalsContact O-N 3.14Å; A377-S379 PolarHBondContact O-OG 3.03Å
380	F	82.1	Confident	80.9	Confident	48 Å²	48	74.6 Å²	74.6	21%	0.211	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	149.5	-170	-61.2	-86.5	0	0	0	112.1	R369 D370 F371 K378 L382 L386 H389	R369-F380 CarbonylContact C-O 3.53Å; R369-F380 WeakPolarHBondContact CA-O 3.4Å; D370-F380 PolarHBondContact N-O 3.47Å; F371-F380 HydrophobicContact CB-CB 4.26Å; F371-F380 WeakPolarHBondContact CB-O 3.28Å; F371-F380 WeakPolarHBondContact CD2-O 3.47Å; F371-F380 PolarHBondContact N-O 2.95Å; F371-F380 WeakPolarHBondContact O-CD2 3.44Å; F371-F380 PolarHBondContact O-N 3.38Å; K378-F380 HydrophobicContact CB-CE2 4.03Å; K378-F380 HydrophobicContact CB-CZ 4.09Å; K378-F380 WeakPolarHBondContact O-CD2 3.47Å; K378-F380 WeakPolarHBondContact O-CE2 3.21Å; F380-L382 VanDerWaalsContact C-N 3.31Å; F380-L382 PolarHBondContact O-N 3.24Å; F380-L386 HydrophobicContact CB-CB 4.42Å; F380-L386 HydrophobicContact CD2-CB 4.03Å; F380-L386 HydrophobicContact CD2-CD1 3.98Å; F380-L386 HydrophobicContact CE2-CD1 4.22Å; F380-L386 HydrophobicContact CG-CB 4.44Å; F380-H389 HydrophobicContact CE1-CB 4.13Å; F380-H389 HydrophobicContact CE2-CB 3.69Å; F380-H389 AromaticContact CE2-CD2 3.39Å; F380-H389 WeakPolarHBondContact CE2-CD2 3.35Å; F380-H389 AromaticContact CE2-CG 3.45Å; F380-H389 VanDerWaalsContact CE2-CG 3.45Å; F380-H389 HydrophobicContact CZ-CB 3.45Å; F380-H389 VanDerWaalsContact CZ-CB 3.45Å; F380-H389 AromaticContact CZ-CD2 3.72Å; F380-H389 AromaticContact CZ-CG 3.29Å; F380-H389 AromaticContact CZ-ND1 3.65Å
381	V	81.3	Confident	80.8	Confident	36 Å²	36	71.2 Å²	71.2	22%	0.218	35%	0.347	C	S	.	.	S	Bend	trans	-72.8	-21.3	176.6	175.3	0	0	0	0	112.9	T363 R369	T363-V381 VanDerWaalsContact C-CG1 3.42Å; T363-V381 WeakPolarHBondContact O-CG1 3.26Å; R369-V381 HydrophobicContact CG-CG2 3.98Å
382	L	79.7	Confident	80.5	Confident	29 Å²	29	72.4 Å²	72.4	15%	0.152	36%	0.355	C	S	.	.	S	Bend	trans	-138.5	136.5	-175.1	-62.2	171	0	0	0	111.6	D360 T363 F380 R384 S385 L386	D360-L382 HydrophobicContact CB-CD1 4.04Å; D360-L382 HydrophobicContact CB-CD2 4.29Å; T363-L382 WeakPolarHBondContact OG1-CD2 2.91Å; F380-L382 VanDerWaalsContact C-N 3.31Å; F380-L382 PolarHBondContact O-N 3.24Å; L382-R384 HydrophobicContact CB-CG 4.04Å; L382-R384 HydrophobicContact CD1-CG 4.29Å; L382-R384 PolarHBondContact O-N 3.3Å; L382-R384 VanDerWaalsContact O-N 3.14Å; L382-S385 WeakPolarHBondContact O-CA 3.41Å; L382-S385 WeakPolarHBondContact O-CB 3.42Å; L382-S385 PolarHBondContact O-N 2.78Å; L382-L386 PolarHBondContact O-N 3.47Å
383	Q	82	Confident	80.3	Confident	90 Å²	90	66.4 Å²	66.4	42%	0.421	34%	0.335	S	S	.	.	H	α-helix	trans	-50.6	-38.8	172.8	-173.8	69.2	60.4	0	0	112.7	F371 S385 L386 N387	F371-Q383 HydrophobicContact CD1-CB 3.85Å; F371-Q383 HydrophobicContact CD1-CG 4.44Å; F371-Q383 VanDerWaalsContact CD2-N 3.29Å; F371-Q383 HydrophobicContact CE1-CB 3.71Å; F371-Q383 HydrophobicContact CE1-CG 4.43Å; F371-Q383 VanDerWaalsContact CE1-OE1 3.28Å; F371-Q383 HydrophobicContact CG-CB 4.36Å; F371-Q383 HydrophobicContact CZ-CB 4.11Å; Q383-S385 PolarHBondContact O-N 2.23Å; Q383-L386 PolarHBondContact O-N 2.62Å; Q383-N387 PolarHBondContact NE2-OD1 2.8Å; Q383-N387 PolarHBondContact O-N 3.05Å; Q383-N387 PolarHBondContact O-OD1 2.74Å; Q383-N387 VanDerWaalsContact O-OD1 3.08Å
384	R	81.8	Confident	79.6	Confident	138 Å²	138	68.1 Å²	68.1	52%	0.521	35%	0.347	S	S	.	.	H	α-helix	trans	-62.2	-30.5	177.8	73.3	176.5	177.9	-148.8	-7.9	113.1	D360 L382 R388	D360-R384 IonicContact OD2-CZ 3.94Å; D360-R384 IonicContact OD2-NH1 3.82Å; D360-R384 PolarHBondContact OD2-NH1 2.8Å; D360-R384 IonicContact OD2-NH2 3.91Å; D360-R384 PolarHBondContact OD2-NH2 2.66Å; L382-R384 HydrophobicContact CB-CG 4.04Å; L382-R384 HydrophobicContact CD1-CG 4.29Å; L382-R384 PolarHBondContact O-N 3.3Å; L382-R384 VanDerWaalsContact O-N 3.14Å; R384-R388 WeakPolarHBondContact O-CB 3.14Å; R384-R388 PolarHBondContact O-N 2.67Å; R384-R388 VanDerWaalsContact O-N 3.15Å
385	S	82.8	Confident	78.6	Confident	25 Å²	25	68.5 Å²	68.5	18%	0.175	35%	0.349	C	S	.	.	H	α-helix	trans	-77.1	-39.9	177.4	-60.5	0	0	0	0	110.8	L382 Q383 R388 H389	L382-S385 WeakPolarHBondContact O-CA 3.41Å; L382-S385 WeakPolarHBondContact O-CB 3.42Å; L382-S385 PolarHBondContact O-N 2.78Å; Q383-S385 PolarHBondContact O-N 2.23Å; S385-R388 PolarHBondContact O-N 3.3Å; S385-H389 WeakPolarHBondContact O-CB 3.36Å; S385-H389 PolarHBondContact O-N 3.49Å
386	L	85.6	Confident	77.7	Confident	17 Å²	17	70.5 Å²	70.5	9%	0.089	36%	0.356	C	S	.	.	H	α-helix	trans	-60.5	-49.2	170.5	175.7	58.7	0	0	0	111.2	F371 C373 F380 L382 Q383 R388 H389 M390	F371-L386 HydrophobicContact CB-CB 3.96Å; F371-L386 HydrophobicContact CB-CD2 3.85Å; C373-L386 HydrophobicContact CB-CD1 3.78Å; F380-L386 HydrophobicContact CB-CB 4.42Å; F380-L386 HydrophobicContact CD2-CB 4.03Å; F380-L386 HydrophobicContact CD2-CD1 3.98Å; F380-L386 HydrophobicContact CE2-CD1 4.22Å; F380-L386 HydrophobicContact CG-CB 4.44Å; L382-L386 PolarHBondContact O-N 3.47Å; Q383-L386 PolarHBondContact O-N 2.62Å; L386-R388 VanDerWaalsContact C-N 3.28Å; L386-R388 PolarHBondContact O-N 3.45Å; L386-H389 CarbonylContact O-C 3.31Å; L386-H389 WeakPolarHBondContact O-CA 3.25Å; L386-H389 WeakPolarHBondContact O-CB 3.06Å; L386-H389 PolarHBondContact O-N 3.29Å; L386-M390 HydrophobicContact CD1-CG 4.33Å; L386-M390 HydrophobicContact CD1-SD 3.75Å; L386-M390 HydrophobicContact CG-SD 4.49Å; L386-M390 WeakPolarHBondContact O-CG 3.07Å; L386-M390 PolarHBondContact O-N 3.26Å
387	N	81.9	Confident	76.9	Confident	97 Å²	97	69 Å²	69	52%	0.519	35%	0.347	S	S	.	.	H	α-helix	trans	-58.3	-39.5	177.4	-68.2	17.3	0	0	0	112.2	Q383 H389 M390	Q383-N387 PolarHBondContact NE2-OD1 2.8Å; Q383-N387 PolarHBondContact O-N 3.05Å; Q383-N387 PolarHBondContact O-OD1 2.74Å; Q383-N387 VanDerWaalsContact O-OD1 3.08Å; N387-H389 VanDerWaalsContact C-N 3.25Å; N387-H389 PolarHBondContact O-N 3.28Å; N387-M390 PolarHBondContact O-N 2.87Å
388	R	78.8	Confident	76.6	Confident	162 Å²	162	69.8 Å²	69.8	61%	0.611	35%	0.347	S	S	*	.	H	α-helix	trans	-71.3	-18.2	174.4	-172.3	-179.8	67.1	165.3	2.7	113.2	R384 S385 L386 S391 R410	R384-R388 WeakPolarHBondContact O-CB 3.14Å; R384-R388 PolarHBondContact O-N 2.67Å; R384-R388 VanDerWaalsContact O-N 3.15Å; S385-R388 PolarHBondContact O-N 3.3Å; L386-R388 VanDerWaalsContact C-N 3.28Å; L386-R388 PolarHBondContact O-N 3.45Å; R388-S391 PolarHBondContact O-OG 3.22Å; R388-R410 PolarHBondContact O-NH2 3.48Å
389	H	83	Confident	76.1	Confident	13 Å²	13	67.6 Å²	67.6	6%	0.06	34%	0.335	C	S	.	.	H	α-helix	trans	-88.8	-32.6	174.4	167.4	73.3	0	0	0	112.4	C373 C376 F380 S385 L386 N387 S391 I392 H393	C373-H389 WeakPolarHBondContact CB-NE2 3.27Å; C373-H389 PolarHBondContact SG-NE2 3.18Å; C376-H389 PolarHBondContact SG-CE1 3.24Å; C376-H389 PolarHBondContact SG-NE2 3.48Å; F380-H389 HydrophobicContact CE1-CB 4.13Å; F380-H389 HydrophobicContact CE2-CB 3.69Å; F380-H389 AromaticContact CE2-CD2 3.39Å; F380-H389 WeakPolarHBondContact CE2-CD2 3.35Å; F380-H389 AromaticContact CE2-CG 3.45Å; F380-H389 VanDerWaalsContact CE2-CG 3.45Å; F380-H389 HydrophobicContact CZ-CB 3.45Å; F380-H389 VanDerWaalsContact CZ-CB 3.45Å; F380-H389 AromaticContact CZ-CD2 3.72Å; F380-H389 AromaticContact CZ-CG 3.29Å; F380-H389 AromaticContact CZ-ND1 3.65Å; S385-H389 WeakPolarHBondContact O-CB 3.36Å; S385-H389 PolarHBondContact O-N 3.49Å; L386-H389 CarbonylContact O-C 3.31Å; L386-H389 WeakPolarHBondContact O-CA 3.25Å; L386-H389 WeakPolarHBondContact O-CB 3.06Å; L386-H389 PolarHBondContact O-N 3.29Å; N387-H389 VanDerWaalsContact C-N 3.25Å; N387-H389 PolarHBondContact O-N 3.28Å; H389-S391 PolarHBondContact O-N 2.77Å; H389-S391 VanDerWaalsContact O-N 3.11Å; H389-I392 VanDerWaalsContact O-CB 3.28Å; H389-I392 WeakPolarHBondContact O-CB 3.38Å; H389-I392 WeakPolarHBondContact O-CG1 3.49Å; H389-I392 PolarHBondContact O-N 3Å; H389-H393 AromaticContact CD2-NE2 3.09Å; H389-H393 PolarHBondContact CD2-NE2 2.88Å; H389-H393 AromaticContact CE1-NE2 2.66Å; H389-H393 PolarHBondContact CE1-NE2 2.73Å; H389-H393 AromaticContact CG-NE2 3.97Å; H389-H393 AromaticContact ND1-NE2 3.76Å; H389-H393 AromaticContact NE2-CD2 3.72Å; H389-H393 AromaticContact NE2-NE2 2.06Å; H389-H393 PolarHBondContact NE2-NE2 2.81Å
390	M	79.4	Confident	75.2	Confident	57 Å²	57	69.5 Å²	69.5	28%	0.281	35%	0.345	S	S	.	.	H	α-helix	trans	-59.4	-23.5	174	-59.6	-47	-69.5	0	0	112.7	C373 N374 I375 L386 N387 I392 H393 S394	C373-M390 VanDerWaalsContact SG-SD 3.64Å; N374-M390 WeakPolarHBondContact OD1-CE 3.36Å; I375-M390 HydrophobicContact CD1-CE 3.83Å; I375-M390 HydrophobicContact CG1-CE 4.45Å; L386-M390 HydrophobicContact CD1-CG 4.33Å; L386-M390 HydrophobicContact CD1-SD 3.75Å; L386-M390 HydrophobicContact CG-SD 4.49Å; L386-M390 WeakPolarHBondContact O-CG 3.07Å; L386-M390 PolarHBondContact O-N 3.26Å; N387-M390 PolarHBondContact O-N 2.87Å; M390-I392 PolarHBondContact O-N 2.9Å; M390-I392 VanDerWaalsContact O-N 3.09Å; M390-H393 PolarHBondContact O-N 3.14Å; M390-S394 PolarHBondContact O-N 3.47Å
391	S	77.1	Confident	74.5	Confident	28 Å²	28	67.2 Å²	67.2	20%	0.196	34%	0.335	C	S	.	.	H	α-helix	trans	-66.7	-0.3	169.6	89.9	0	0	0	0	114.5	R388 H389 K409 R410	R388-S391 PolarHBondContact O-OG 3.22Å; H389-S391 PolarHBondContact O-N 2.77Å; H389-S391 VanDerWaalsContact O-N 3.11Å; S391-K409 WeakPolarHBondContact O-CB 3.36Å; S391-K409 WeakPolarHBondContact O-CD 3.18Å; S391-R410 PolarHBondContact OG-NE 3.09Å
392	I	74	Confident	73.7	Confident	85 Å²	85	69.9 Å²	69.9	44%	0.436	35%	0.353	S	S	.	.	H	α-helix	trans	-89.8	-44.2	170.6	-59.3	-177.7	0	0	0	109.3	H389 M390 K409	H389-I392 VanDerWaalsContact O-CB 3.28Å; H389-I392 WeakPolarHBondContact O-CB 3.38Å; H389-I392 WeakPolarHBondContact O-CG1 3.49Å; H389-I392 PolarHBondContact O-N 3Å; M390-I392 PolarHBondContact O-N 2.9Å; M390-I392 VanDerWaalsContact O-N 3.09Å; I392-K409 PolarHBondContact O-NZ 3.36Å
393	H	77.6	Confident	73.1	Confident	60 Å²	60	73.1 Å²	73.1	28%	0.278	37%	0.37	S	S	.	.	H	α-helix	trans	-76.6	-31.6	-179.2	-58.1	-52.3	0	0	0	113.7	C373 I375 C376 H389 M390 N395	C373-H393 PolarHBondContact SG-CD2 2.98Å; C373-H393 PolarHBondContact SG-NE2 3.43Å; I375-H393 HydrophobicContact CB-CB 4.47Å; I375-H393 HydrophobicContact CD1-CB 3.62Å; I375-H393 HydrophobicContact CG2-CB 4.23Å; I375-H393 WeakPolarHBondContact CG2-ND1 3.44Å; C376-H393 WeakPolarHBondContact CB-CE1 2.82Å; C376-H393 PolarHBondContact SG-CE1 3.16Å; C376-H393 PolarHBondContact SG-NE2 3.46Å; H389-H393 AromaticContact CD2-NE2 3.09Å; H389-H393 PolarHBondContact CD2-NE2 2.88Å; H389-H393 AromaticContact CE1-NE2 2.66Å; H389-H393 PolarHBondContact CE1-NE2 2.73Å; H389-H393 AromaticContact CG-NE2 3.97Å; H389-H393 AromaticContact ND1-NE2 3.76Å; H389-H393 AromaticContact NE2-CD2 3.72Å; H389-H393 AromaticContact NE2-NE2 2.06Å; H389-H393 PolarHBondContact NE2-NE2 2.81Å; M390-H393 PolarHBondContact O-N 3.14Å; H393-N395 PolarHBondContact O-N 3.48Å
394	S	69.5	Low	72.8	Confident	36 Å²	36	71 Å²	71	25%	0.252	36%	0.364	S	S	.	.			trans	-66.6	128.4	166	-172.3	0	0	0	0	109.4	M390 E396 K409	M390-S394 PolarHBondContact O-N 3.47Å; S394-E396 WeakPolarHBondContact OG-CB 3.25Å; S394-E396 WeakPolarHBondContact OG-CG 3.26Å; S394-E396 PolarHBondContact OG-N 3.33Å; S394-E396 VanDerWaalsContact OG-N 3.09Å; S394-E396 PolarHBondContact OG-OE2 3.41Å; S394-K409 WeakPolarHBondContact O-CE 3.28Å; S394-K409 PolarHBondContact O-NZ 2.87Å
395	N	59.4	Low	71.8	Confident	144 Å²	144	72.5 Å²	72.5	77%	0.77	37%	0.371	S	S	*	.			trans	-79.5	-2.3	167.7	-75.4	-22.8	0	0	0	112.4	H393 A397 K409	H393-N395 PolarHBondContact O-N 3.48Å; N395-A397 PolarHBondContact O-N 3.25Å; N395-K409 PolarHBondContact OD1-NZ 3.22Å
396	E	61.7	Low	71	Confident	143 Å²	143	77.3 Å²	77.3	67%	0.668	39%	0.389	S	S	*	.			trans	-62.2	111.4	165	-57.3	161.7	136.9	0	0	109.5	S394 P398	S394-E396 WeakPolarHBondContact OG-CB 3.25Å; S394-E396 WeakPolarHBondContact OG-CG 3.26Å; S394-E396 PolarHBondContact OG-N 3.33Å; S394-E396 VanDerWaalsContact OG-N 3.09Å; S394-E396 PolarHBondContact OG-OE2 3.41Å; E396-P398 WeakPolarHBondContact O-CD 3.48Å
397	A	62.6	Low	70.3	Confident	12 Å²	12	84.4 Å²	84.4	10%	0.099	42%	0.415	C	S	.	.			trans	-103.4	85	160.1	0	0	0	0	0	107.8	N395 Y399 R407 F408 K409	N395-A397 PolarHBondContact O-N 3.25Å; A397-Y399 VanDerWaalsContact C-N 3.32Å; A397-R407 HydrophobicContact CB-CB 3.54Å; A397-R407 PolarHBondContact O-NE 2.97Å; A397-R407 VanDerWaalsContact O-NE 3.11Å; A397-R407 PolarHBondContact O-NH2 3.44Å; A397-F408 CarbonylContact C-O 3.56Å; A397-F408 WeakPolarHBondContact CA-O 3.29Å; A397-K409 HydrophobicContact CB-CG 4.24Å
398	P	70.2	Confident	69.6	Low	82 Å²	82	81.7 Å²	81.7	53%	0.532	40%	0.398	S	S	.	.			trans	-82.4	-7.2	-172	34.1	-38.2	0	0	0	113.5	E396	E396-P398 WeakPolarHBondContact O-CD 3.48Å
399	Y	65.9	Low	69.1	Low	89 Å²	89	77.2 Å²	77.2	35%	0.349	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	90.4	178	-56.6	-76.2	0	0	0	109.5	A397 F408 R411	A397-Y399 VanDerWaalsContact C-N 3.32Å; Y399-F408 PolarHBondContact N-O 3.27Å; Y399-F408 PolarHBondContact O-N 3.17Å; Y399-R411 HydrophobicContact CD1-CB 3.83Å; Y399-R411 HydrophobicContact CD1-CG 4.37Å; Y399-R411 HydrophobicContact CE1-CB 3.61Å; Y399-R411 HydrophobicContact CE1-CG 4.28Å; Y399-R411 HydrophobicContact CE2-CB 4.38Å; Y399-R411 VanDerWaalsContact CE2-N 3.35Å; Y399-R411 HydrophobicContact CG-CB 4.31Å
400	V	63.1	Low	68.5	Low	69 Å²	69	80.6 Å²	80.6	42%	0.418	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	139	175	-170.5	0	0	0	0	109.3	Y405 R407 C414	V400-Y405 HydrophobicContact CG1-CD1 4.15Å; V400-R407 HydrophobicContact CG2-CG 4.34Å; V400-C414 PolarHBondContact O-SG 2.87Å
401	C	67.7	Low	67.9	Low	0 Å²	0	84.1 Å²	84.1	0%	0	41%	0.406	C	S	.	.			trans	-75.7	128.9	167.7	-178.1	0	0	0	0	110.1	I403 Y405 K406 F408 H417 H421	C401-I403 PolarHBondContact O-N 3.37Å; C401-Y405 WeakPolarHBondContact O-CA 3.5Å; C401-Y405 PolarHBondContact O-N 2.66Å; C401-K406 PolarHBondContact N-O 3.15Å; C401-F408 HydrophobicContact CB-CE2 4.3Å; C401-H417 VanDerWaalsContact SG-CD2 3.58Å; C401-H417 PolarHBondContact SG-NE2 2.8Å; C401-H417 VanDerWaalsContact SG-NE2 3.43Å; C401-H421 PolarHBondContact SG-NE2 3.23Å
402	P	63.3	Low	67.6	Low	91 Å²	91	87.7 Å²	87.7	59%	0.591	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-14	-179.6	27.8	-34.4	0	0	0	114.3
403	I	67.6	Low	67.5	Low	97 Å²	97	87.7 Å²	87.7	50%	0.497	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	-45	-172.6	-60.5	167.4	0	0	0	112	C401 H421	C401-I403 PolarHBondContact O-N 3.37Å; I403-H421 HydrophobicContact CB-CB 4.37Å; I403-H421 HydrophobicContact CD1-CB 3.53Å; I403-H421 HydrophobicContact CG2-CB 3.97Å
404	C	75.1	Confident	67.3	Low	46 Å²	46	85.5 Å²	85.5	31%	0.311	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.6	18.6	179.3	85.3	0	0	0	0	114.2	K406 H417 H421	C404-K406 PolarHBondContact O-N 3.4Å; C404-K406 VanDerWaalsContact SG-CD 3.51Å; C404-K406 VanDerWaalsContact SG-CG 3.58Å; C404-H417 PolarHBondContact SG-NE2 3.44Å; C404-H421 PolarHBondContact SG-CE1 3.04Å
405	Y	62.7	Low	67.4	Low	170 Å²	170	90.9 Å²	90.9	67%	0.667	42%	0.423	S	S	*	.			trans	56.1	6.3	172.4	-55.3	-79.3	0	0	0	117.5	V400 C401 R407	V400-Y405 HydrophobicContact CG1-CD1 4.15Å; C401-Y405 WeakPolarHBondContact O-CA 3.5Å; C401-Y405 PolarHBondContact O-N 2.66Å; Y405-R407 PolarHBondContact O-N 2.88Å
406	K	65.3	Low	68	Low	125 Å²	125	89.2 Å²	89.2	54%	0.543	41%	0.414	S	S	.	.			trans	-56.5	130.5	173.4	-75.9	174.4	-169.7	164.8	0	109.8	C401 C404 F408	C401-K406 PolarHBondContact N-O 3.15Å; C404-K406 PolarHBondContact O-N 3.4Å; C404-K406 VanDerWaalsContact SG-CD 3.51Å; C404-K406 VanDerWaalsContact SG-CG 3.58Å; K406-F408 HydrophobicContact CB-CE2 3.64Å; K406-F408 HydrophobicContact CB-CZ 3.84Å; K406-F408 WeakPolarHBondContact O-CD2 3.03Å; K406-F408 VanDerWaalsContact O-CE2 3.23Å; K406-F408 WeakPolarHBondContact O-CE2 3.16Å
407	R	69.9	Low	68.5	Low	167 Å²	167	83.4 Å²	83.4	63%	0.63	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	129.2	-174.8	-54.1	-176.7	63.3	168.7	1.8	110.3	A397 V400 Y405	A397-R407 HydrophobicContact CB-CB 3.54Å; A397-R407 PolarHBondContact O-NE 2.97Å; A397-R407 VanDerWaalsContact O-NE 3.11Å; A397-R407 PolarHBondContact O-NH2 3.44Å; V400-R407 HydrophobicContact CG2-CG 4.34Å; Y405-R407 PolarHBondContact O-N 2.88Å
408	F	68.6	Low	68.8	Low	39 Å²	39	84.8 Å²	84.8	17%	0.171	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	141.9	-177.9	-61.9	-88.6	0	0	0	112.1	A397 Y399 C401 K406 R410 Q413 C414 H417	A397-F408 CarbonylContact C-O 3.56Å; A397-F408 WeakPolarHBondContact CA-O 3.29Å; Y399-F408 PolarHBondContact N-O 3.27Å; Y399-F408 PolarHBondContact O-N 3.17Å; C401-F408 HydrophobicContact CB-CE2 4.3Å; K406-F408 HydrophobicContact CB-CE2 3.64Å; K406-F408 HydrophobicContact CB-CZ 3.84Å; K406-F408 WeakPolarHBondContact O-CD2 3.03Å; K406-F408 VanDerWaalsContact O-CE2 3.23Å; K406-F408 WeakPolarHBondContact O-CE2 3.16Å; F408-R410 PolarHBondContact O-N 2.06Å; F408-Q413 HydrophobicContact CB-CB 4.13Å; F408-Q413 HydrophobicContact CD1-CB 3.69Å; F408-Q413 HydrophobicContact CG-CB 4.17Å; F408-C414 HydrophobicContact CB-CB 4.05Å; F408-C414 HydrophobicContact CD2-CB 3.66Å; F408-C414 HydrophobicContact CE2-CB 4.47Å; F408-C414 HydrophobicContact CG-CB 4Å; F408-H417 HydrophobicContact CE1-CB 4.04Å; F408-H417 HydrophobicContact CE2-CB 4.04Å; F408-H417 AromaticContact CE2-CD2 3.22Å; F408-H417 WeakPolarHBondContact CE2-CD2 3.35Å; F408-H417 AromaticContact CE2-CG 3.76Å; F408-H417 HydrophobicContact CZ-CB 3.54Å; F408-H417 AromaticContact CZ-CD2 3.26Å; F408-H417 WeakPolarHBondContact CZ-CD2 3.49Å; F408-H417 AromaticContact CZ-CG 3.32Å
409	K	66.6	Low	68.7	Low	68 Å²	68	85.1 Å²	85.1	30%	0.296	39%	0.391	S	S	.	.	S	Bend	trans	-73.6	-10.1	175.2	-74.7	-179.6	167.7	-164.1	0	112.9	S391 I392 S394 N395 A397	S391-K409 WeakPolarHBondContact O-CB 3.36Å; S391-K409 WeakPolarHBondContact O-CD 3.18Å; I392-K409 PolarHBondContact O-NZ 3.36Å; S394-K409 WeakPolarHBondContact O-CE 3.28Å; S394-K409 PolarHBondContact O-NZ 2.87Å; N395-K409 PolarHBondContact OD1-NZ 3.22Å; A397-K409 HydrophobicContact CB-CG 4.24Å
410	R	71	Confident	68.8	Low	84 Å²	84	84.5 Å²	84.5	32%	0.317	40%	0.397	S	S	.	.	S	Bend	trans	-144.1	143.7	176.7	-59	-179.4	178.3	143.3	2	113.4	R388 S391 F408 E412 Q413 C414	R388-R410 PolarHBondContact O-NH2 3.48Å; S391-R410 PolarHBondContact OG-NE 3.09Å; F408-R410 PolarHBondContact O-N 2.06Å; R410-E412 VanDerWaalsContact C-N 3.3Å; R410-E412 PolarHBondContact O-N 2.85Å; R410-Q413 HydrophobicContact CB-CG 4.27Å; R410-Q413 PolarHBondContact O-N 3.24Å; R410-Q413 VanDerWaalsContact O-N 3.14Å; R410-C414 PolarHBondContact O-N 3.43Å
411	R	66.8	Low	68.9	Low	132 Å²	132	83.1 Å²	83.1	50%	0.498	39%	0.385	S	S	.	.	H	α-helix	trans	-52.3	-44.2	176.9	-178.7	174.6	-81.6	-159.4	-10.4	112.8	Y399 Q413 C414 R415 N476	Y399-R411 HydrophobicContact CD1-CB 3.83Å; Y399-R411 HydrophobicContact CD1-CG 4.37Å; Y399-R411 HydrophobicContact CE1-CB 3.61Å; Y399-R411 HydrophobicContact CE1-CG 4.28Å; Y399-R411 HydrophobicContact CE2-CB 4.38Å; Y399-R411 VanDerWaalsContact CE2-N 3.35Å; Y399-R411 HydrophobicContact CG-CB 4.31Å; R411-Q413 VanDerWaalsContact C-N 3.31Å; R411-Q413 PolarHBondContact O-N 3.12Å; R411-C414 PolarHBondContact O-N 2.79Å; R411-R415 PolarHBondContact O-N 3.11Å; R411-N476 PolarHBondContact NH1-OD1 2.97Å
412	E	71.2	Confident	68.3	Low	103 Å²	103	87.3 Å²	87.3	48%	0.481	41%	0.414	S	S	.	.	H	α-helix	trans	-65.6	-33.9	-177	-152.8	64.7	-162	0	0	112.5	R410 R415 L416	R410-E412 VanDerWaalsContact C-N 3.3Å; R410-E412 PolarHBondContact O-N 2.85Å; E412-R415 PolarHBondContact O-N 3.44Å; E412-R415 IonicContact OE1-NH1 2.87Å; E412-L416 HydrophobicContact CG-CD1 4.42Å; E412-L416 WeakPolarHBondContact O-CB 3.36Å; E412-L416 WeakPolarHBondContact O-CG 3.41Å; E412-L416 PolarHBondContact O-N 3Å
413	Q	71	Confident	67.5	Low	85 Å²	85	88.1 Å²	88.1	40%	0.397	42%	0.418	S	S	.	.	H	α-helix	trans	-68.9	-42.4	176.2	-65.3	172	-55.4	0	0	110.9	F408 R410 R411 H417	F408-Q413 HydrophobicContact CB-CB 4.13Å; F408-Q413 HydrophobicContact CD1-CB 3.69Å; F408-Q413 HydrophobicContact CG-CB 4.17Å; R410-Q413 HydrophobicContact CB-CG 4.27Å; R410-Q413 PolarHBondContact O-N 3.24Å; R410-Q413 VanDerWaalsContact O-N 3.14Å; R411-Q413 VanDerWaalsContact C-N 3.31Å; R411-Q413 PolarHBondContact O-N 3.12Å; Q413-H417 WeakPolarHBondContact O-CB 3.23Å; Q413-H417 PolarHBondContact O-N 3.36Å
414	C	74.1	Confident	66	Low	13 Å²	13	91 Å²	91	9%	0.088	43%	0.43	C	S	.	.	H	α-helix	trans	-62.5	-42.4	172.6	-173.9	0	0	0	0	111.3	V400 F408 R410 R411 H417 V418	V400-C414 PolarHBondContact O-SG 2.87Å; F408-C414 HydrophobicContact CB-CB 4.05Å; F408-C414 HydrophobicContact CD2-CB 3.66Å; F408-C414 HydrophobicContact CE2-CB 4.47Å; F408-C414 HydrophobicContact CG-CB 4Å; R410-C414 PolarHBondContact O-N 3.43Å; R411-C414 PolarHBondContact O-N 2.79Å; C414-H417 PolarHBondContact O-N 2.97Å; C414-V418 WeakPolarHBondContact O-CG2 3.39Å; C414-V418 PolarHBondContact O-N 2.87Å
415	R	72.4	Confident	64	Low	149 Å²	149	96.1 Å²	96.1	56%	0.562	45%	0.453	S	S	*	.	H	α-helix	trans	-60.8	-50.7	177.4	-172.6	-174.8	-176.2	-161.9	-0	112.5	R411 E412 H417 V418 N419	R411-R415 PolarHBondContact O-N 3.11Å; E412-R415 PolarHBondContact O-N 3.44Å; E412-R415 IonicContact OE1-NH1 2.87Å; R415-H417 PolarHBondContact O-N 2.64Å; R415-V418 PolarHBondContact O-N 2.99Å; R415-N419 PolarHBondContact O-OD1 2.92Å
416	L	71.3	Confident	62.6	Low	109 Å²	109	93 Å²	93	57%	0.571	45%	0.454	S	S	*	.	H	α-helix	trans	-63.5	-33.5	177.8	-69.9	169.6	0	0	0	111.6	E412 N419	E412-L416 HydrophobicContact CG-CD1 4.42Å; E412-L416 WeakPolarHBondContact O-CB 3.36Å; E412-L416 WeakPolarHBondContact O-CG 3.41Å; E412-L416 PolarHBondContact O-N 3Å; L416-N419 WeakPolarHBondContact O-CB 3.48Å
417	H	73.1	Confident	60.7	Low	21 Å²	21	92.2 Å²	92.2	10%	0.097	47%	0.47	C	S	.	.	H	α-helix	trans	-70.2	-34.4	173.5	168.4	54.5	0	0	0	113.6	C401 C404 F408 Q413 C414 R415 N419 V420 H421	C401-H417 VanDerWaalsContact SG-CD2 3.58Å; C401-H417 PolarHBondContact SG-NE2 2.8Å; C401-H417 VanDerWaalsContact SG-NE2 3.43Å; C404-H417 PolarHBondContact SG-NE2 3.44Å; F408-H417 HydrophobicContact CE1-CB 4.04Å; F408-H417 HydrophobicContact CE2-CB 4.04Å; F408-H417 AromaticContact CE2-CD2 3.22Å; F408-H417 WeakPolarHBondContact CE2-CD2 3.35Å; F408-H417 AromaticContact CE2-CG 3.76Å; F408-H417 HydrophobicContact CZ-CB 3.54Å; F408-H417 AromaticContact CZ-CD2 3.26Å; F408-H417 WeakPolarHBondContact CZ-CD2 3.49Å; F408-H417 AromaticContact CZ-CG 3.32Å; Q413-H417 WeakPolarHBondContact O-CB 3.23Å; Q413-H417 PolarHBondContact O-N 3.36Å; C414-H417 PolarHBondContact O-N 2.97Å; R415-H417 PolarHBondContact O-N 2.64Å; H417-N419 PolarHBondContact O-N 3.08Å; H417-V420 VanDerWaalsContact O-CB 3.27Å; H417-V420 WeakPolarHBondContact O-CB 3.33Å; H417-V420 WeakPolarHBondContact O-CG2 3.39Å; H417-V420 PolarHBondContact O-N 3.18Å; H417-H421 AromaticContact CD2-NE2 3.94Å; H417-H421 AromaticContact CE1-CE1 3.62Å; H417-H421 AromaticContact CE1-NE2 3.14Å; H417-H421 PolarHBondContact CE1-NE2 3.29Å; H417-H421 AromaticContact NE2-CE1 3.84Å; H417-H421 AromaticContact NE2-NE2 3.04Å; H417-H421 PolarHBondContact NE2-NE2 3.28Å
418	V	67.2	Low	58.8	Low	42 Å²	42	90 Å²	90	26%	0.255	48%	0.475	S	S	.	.	H	α-helix	trans	-59	-35.4	176.6	164.7	0	0	0	0	111.4	C414 R415 V420 H421 S422	C414-V418 WeakPolarHBondContact O-CG2 3.39Å; C414-V418 PolarHBondContact O-N 2.87Å; R415-V418 PolarHBondContact O-N 2.99Å; V418-V420 PolarHBondContact O-N 3.05Å; V418-V420 VanDerWaalsContact O-N 3.15Å; V418-H421 PolarHBondContact O-N 3.38Å; V418-H421 VanDerWaalsContact O-N 3.08Å; V418-S422 PolarHBondContact O-N 2.74Å; V418-S422 PolarHBondContact O-OG 3.25Å
419	N	68.6	Low	57.2	Low	89 Å²	89	95.1 Å²	95.1	48%	0.476	51%	0.51	S	S	.	.	H	α-helix	trans	-59	-24.7	174.4	-60.9	5.1	0	0	0	113.5	R415 L416 H417 H421 S422 T423	R415-N419 PolarHBondContact O-OD1 2.92Å; L416-N419 WeakPolarHBondContact O-CB 3.48Å; H417-N419 PolarHBondContact O-N 3.08Å; N419-H421 VanDerWaalsContact C-N 3.3Å; N419-S422 WeakPolarHBondContact O-CB 3.39Å; N419-S422 PolarHBondContact O-N 3.04Å; N419-T423 PolarHBondContact O-N 3.32Å
420	V	69.2	Low	55.5	Low	76 Å²	76	99.3 Å²	99.3	46%	0.461	54%	0.535	S	S	.	.	H	α-helix	trans	-71.9	-26.7	178.9	-174.6	0	0	0	0	111.5	H417 V418 T423	H417-V420 VanDerWaalsContact O-CB 3.27Å; H417-V420 WeakPolarHBondContact O-CB 3.33Å; H417-V420 WeakPolarHBondContact O-CG2 3.39Å; H417-V420 PolarHBondContact O-N 3.18Å; V418-V420 PolarHBondContact O-N 3.05Å; V418-V420 VanDerWaalsContact O-N 3.15Å; V420-T423 PolarHBondContact O-OG1 2.81Å
421	H	64.8	Low	53.8	Low	40 Å²	40	100.8 Å²	100.8	19%	0.185	55%	0.553	C	S	.	*	H	α-helix	trans	-79.3	-30	170.2	-54.7	-61.7	0	0	0	111.4	C401 I403 C404 H417 V418 N419 T423 E424	C401-H421 PolarHBondContact SG-NE2 3.23Å; I403-H421 HydrophobicContact CB-CB 4.37Å; I403-H421 HydrophobicContact CD1-CB 3.53Å; I403-H421 HydrophobicContact CG2-CB 3.97Å; C404-H421 PolarHBondContact SG-CE1 3.04Å; H417-H421 AromaticContact CD2-NE2 3.94Å; H417-H421 AromaticContact CE1-CE1 3.62Å; H417-H421 AromaticContact CE1-NE2 3.14Å; H417-H421 PolarHBondContact CE1-NE2 3.29Å; H417-H421 AromaticContact NE2-CE1 3.84Å; H417-H421 AromaticContact NE2-NE2 3.04Å; H417-H421 PolarHBondContact NE2-NE2 3.28Å; V418-H421 PolarHBondContact O-N 3.38Å; V418-H421 VanDerWaalsContact O-N 3.08Å; N419-H421 VanDerWaalsContact C-N 3.3Å; H421-T423 PolarHBondContact O-N 3.25Å; H421-T423 VanDerWaalsContact O-N 3.16Å; H421-E424 PolarHBondContact O-N 3.49Å
422	S	54.3	Low	52.1	Low	87 Å²	87	101.8 Å²	101.8	61%	0.608	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	-4.2	173.3	-48.9	0	0	0	0	114	V418 N419	V418-S422 PolarHBondContact O-N 2.74Å; V418-S422 PolarHBondContact O-OG 3.25Å; N419-S422 WeakPolarHBondContact O-CB 3.39Å; N419-S422 PolarHBondContact O-N 3.04Å
423	T	46.7	Very low	50.4	Low	109 Å²	109	99.6 Å²	99.6	67%	0.669	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.2	3.3	173.6	45.7	0	0	0	0	114.2	N419 V420 H421	N419-T423 PolarHBondContact O-N 3.32Å; V420-T423 PolarHBondContact O-OG1 2.81Å; H421-T423 PolarHBondContact O-N 3.25Å; H421-T423 VanDerWaalsContact O-N 3.16Å
424	E	36.1	Very low	48.7	Very low	158 Å²	158	104.6 Å²	104.6	74%	0.738	60%	0.597	S	S	*	*			trans	-133.7	93.5	179.6	-67.7	-176.3	-163	0	0	111.4	H421	H421-E424 PolarHBondContact O-N 3.49Å
425	L	33.7	Very low	46.9	Very low	153 Å²	153	111.2 Å²	111.2	80%	0.801	63%	0.632	S	S	*	*			trans	-146	150.4	170.1	-95.1	147.6	0	0	0	107.8
426	P	32.4	Very low	45	Very low	105 Å²	105	109.9 Å²	109.9	68%	0.682	64%	0.64	S	S	*	*				-102	137.6	-113.6	-8.1	27.7	0	0	0	114.7	T428	P426-T428 VanDerWaalsContact C-N 3.33Å; P426-T428 PolarHBondContact O-N 2.98Å
427	A	26.1	Very low	43.2	Very low	107 Å²	107	111.2 Å²	111.2	88%	0.884	65%	0.652	S	S	*	*			trans	-89.2	58.6	173	0	0	0	0	0	112.3
428	T	29.5	Very low	41.1	Very low	120 Å²	120	115 Å²	115	74%	0.736	68%	0.681	S	S	*	*			trans	-153.8	102.4	170.3	47.5	0	0	0	0	113	P426	P426-T428 VanDerWaalsContact C-N 3.33Å; P426-T428 PolarHBondContact O-N 2.98Å
429	T	36	Very low	39.5	Very low	148 Å²	148	119.7 Å²	119.7	91%	0.908	71%	0.71	S	S	*	*			trans	-146.7	129.4	140.1	12.6	0	0	0	0	108.4
430	L	29.7	Very low	37.6	Very low	156 Å²	156	123.3 Å²	123.3	82%	0.817	73%	0.726	S	S	*	*			trans	-72.5	162.5	164.6	-63.3	140.8	0	0	0	107.2
431	T	36.6	Very low	35.8	Very low	115 Å²	115	125.3 Å²	125.3	71%	0.706	74%	0.738	S	S	*	*				-161.5	143.5	50.2	47.7	0	0	0	0	113.7
432	N	31.1	Very low	34.2	Very low	152 Å²	152	129.2 Å²	129.2	81%	0.813	76%	0.761	S	S	*	*			trans	55.4	154.2	132.4	-49	4.9	0	0	0	121.7
433	G	34.9	Very low	33.3	Very low	58 Å²	58	131.4 Å²	131.4	60%	0.598	77%	0.766	S	S	*	*			trans	93.2	105.3	-176.9	0	0	0	0	0	110.9
434	E	34.9	Very low	32.9	Very low	189 Å²	189	131 Å²	131	88%	0.883	77%	0.774	S	S	*	*				69.4	124.6	57.9	-57	161.4	175.5	0	0	110.7
435	D	36.1	Very low	32.8	Very low	152 Å²	152	129.7 Å²	129.7	81%	0.813	77%	0.771	S	S	*	*			cis	-143.1	173.1	15.8	-130.5	-34.2	0	0	0	115.9
436	V	32.9	Very low	33	Very low	121 Å²	121	129.6 Å²	129.6	73%	0.733	77%	0.767	S	S	*	*			trans	-84.8	147.9	179.6	179.3	0	0	0	0	110.9
437	V	33.6	Very low	33.1	Very low	138 Å²	138	129.3 Å²	129.3	84%	0.836	77%	0.767	S	S	*	*				172.6	133.7	129.2	151.6	0	0	0	0	111.4
438	S	29.1	Very low	33.4	Very low	101 Å²	101	129.9 Å²	129.9	71%	0.706	77%	0.765	S	S	*	*			trans	-77.6	151.9	168.4	-51	0	0	0	0	111
439	T	33.8	Very low	33.7	Very low	139 Å²	139	128 Å²	128	85%	0.853	76%	0.762	S	S	*	*				176.5	165.9	117.4	-70.8	0	0	0	0	109.2
440	M	27.9	Very low	33.6	Very low	165 Å²	165	126.5 Å²	126.5	81%	0.813	76%	0.757	S	S	*	*			trans	-84	179.6	-178.5	-62.6	-176.5	167.1	0	0	113.3
441	T	31.4	Very low	34	Very low	118 Å²	118	125 Å²	125	72%	0.724	75%	0.754	S	S	*	*			trans	72.8	108.5	157	53.6	0	0	0	0	120.1
442	N	31.9	Very low	34	Very low	123 Å²	123	126.8 Å²	126.8	66%	0.658	76%	0.759	S	S	*	*				93.5	118.9	121.2	-74.2	52.4	0	0	0	121.7
443	D	35.3	Very low	34.3	Very low	133 Å²	133	123.2 Å²	123.2	71%	0.711	75%	0.751	S	S	*	*			trans	71.7	134.9	131.2	-51	-25.4	0	0	0	122.2
444	A	37.7	Very low	34.5	Very low	101 Å²	101	125.6 Å²	125.6	84%	0.835	76%	0.756	S	S	*	*			trans	67.3	146	151.7	0	0	0	0	0	119
445	D	34.4	Very low	34.4	Very low	129 Å²	129	123.8 Å²	123.8	69%	0.69	75%	0.751	S	S	*	*			cis	-164.3	178.5	-23.4	-159.2	1.5	0	0	0	108.4
446	Q	38.6	Very low	34.2	Very low	152 Å²	152	123.5 Å²	123.5	71%	0.71	75%	0.749	S	S	*	*			trans	52	105.6	154.7	-69.4	158.4	57.7	0	0	118.8
447	S	32.6	Very low	34	Very low	98 Å²	98	123.2 Å²	123.2	69%	0.685	75%	0.747	S	S	*	*				86.3	137.2	62.9	74.7	0	0	0	0	116.8
448	S	33.4	Very low	33.9	Very low	120 Å²	120	124.6 Å²	124.6	84%	0.839	75%	0.75	S	S	*	*			trans	74.6	155.9	168	81.4	0	0	0	0	118.1
449	A	36.5	Very low	34.1	Very low	80 Å²	80	127.6 Å²	127.6	66%	0.661	76%	0.758	S	S	*	*			cis	-170.6	148.7	-32.3	0	0	0	0	0	111
450	S	33.2	Very low	34.1	Very low	116 Å²	116	123.9 Å²	123.9	81%	0.811	75%	0.748	S	S	*	*			trans	60.2	159.7	166.8	62	0	0	0	0	116.6
451	V	38	Very low	34.3	Very low	126 Å²	126	124.4 Å²	124.4	76%	0.764	75%	0.748	S	S	*	*			cis	-140.7	174.8	-0.8	-124.3	0	0	0	0	106.4
452	D	37.4	Very low	34.1	Very low	151 Å²	151	130.6 Å²	130.6	81%	0.807	76%	0.758	S	S	*	*			cis	-148.3	-154.1	8.1	-145.6	-53.4	0	0	0	110.8
453	A	37.3	Very low	34	Very low	78 Å²	78	130 Å²	130	65%	0.645	76%	0.759	S	S	*	*			trans	-139.3	-167.2	-174.5	0	0	0	0	0	112
454	P	39	Very low	33.6	Very low	108 Å²	108	130.1 Å²	130.1	70%	0.701	76%	0.764	S	S	*	*			cis	-130.6	-159.1	-24.2	23	2.1	0	0	0	112.5
455	I	31.3	Very low	33.3	Very low	151 Å²	151	131.7 Å²	131.7	77%	0.774	76%	0.763	S	S	*	*			trans	66.1	132.6	161.4	26.1	-178.4	0	0	0	118.3
456	L	32	Very low	33	Very low	146 Å²	146	131.6 Å²	131.6	76%	0.764	76%	0.763	S	S	*	*			cis	-129.3	129.5	11.3	-89.6	161.1	0	0	0	113.9
457	T	30.2	Very low	32.6	Very low	115 Å²	115	129 Å²	129	71%	0.706	77%	0.767	S	S	*	*			trans	18.2	113	149.3	56.4	0	0	0	0	120.3
458	N	31.5	Very low	32.5	Very low	167 Å²	167	130.2 Å²	130.2	89%	0.893	77%	0.766	S	S	*	*			trans	-156.4	71.6	156.9	-118.2	-28.9	0	0	0	111
459	D	33	Very low	32.3	Very low	164 Å²	164	134.4 Å²	134.4	88%	0.877	77%	0.77	S	S	*	*			trans	-98.4	141.4	177.5	-82.6	-61.5	0	0	0	111.9
460	G	32.9	Very low	32	Very low	61 Å²	61	136 Å²	136	63%	0.629	77%	0.77	S	S	*	*			cis	142.9	-17.5	1.6	0	0	0	0	0	113.8	R462	G460-R462 PolarHBondContact O-N 2.7Å
461	Q	31.8	Very low	31.9	Very low	176 Å²	176	135.7 Å²	135.7	82%	0.822	77%	0.766	S	S	*	*			trans	-82.4	78.5	-174	-64.8	-161.8	3.5	0	0	113.6	T463	Q461-T463 VanDerWaalsContact C-N 3.25Å; Q461-T463 HydrophobicContact CB-CG2 4.45Å; Q461-T463 PolarHBondContact O-N 2.82Å
462	R	28.8	Very low	31.5	Very low	247 Å²	247	135.7 Å²	135.7	93%	0.932	76%	0.762	S	S	*	*			trans	-70.9	76.4	169.9	-162.6	178.1	-163.7	168.4	4.7	110.5	G460	G460-R462 PolarHBondContact O-N 2.7Å
463	T	28.6	Very low	30.9	Very low	110 Å²	110	131.9 Å²	131.9	68%	0.675	75%	0.746	S	S	*	*			trans	-66.8	146.9	-172.4	47.8	0	0	0	0	113.7	Q461 V465	Q461-T463 VanDerWaalsContact C-N 3.25Å; Q461-T463 HydrophobicContact CB-CG2 4.45Å; Q461-T463 PolarHBondContact O-N 2.82Å; T463-V465 PolarHBondContact O-N 3.34Å
464	V	27.4	Very low	30.8	Very low	136 Å²	136	136.6 Å²	136.6	82%	0.824	75%	0.748	S	S	*	*			trans	-73	119.9	-176.1	179	0	0	0	0	110.5
465	V	32.2	Very low	30.6	Very low	134 Å²	134	138.1 Å²	138.1	81%	0.812	75%	0.746	S	S	*	*			trans	-98.6	102	172.6	-174.1	0	0	0	0	109.3	T463 A467	T463-V465 PolarHBondContact O-N 3.34Å; V465-A467 PolarHBondContact O-N 3.42Å
466	D	28.1	Very low	30.3	Very low	128 Å²	128	137.9 Å²	137.9	68%	0.684	75%	0.747	S	S	*	*			trans	-55.1	129	179.7	-102.7	-38.5	0	0	0	112.9	N468	D466-N468 PolarHBondContact O-N 3.14Å
467	A	28.5	Very low	30.3	Very low	97 Å²	97	134.9 Å²	134.9	80%	0.802	74%	0.738	S	S	*	*			trans	-75.9	49.2	-175.9	0	0	0	0	0	114.4	V465 F469	V465-A467 PolarHBondContact O-N 3.42Å; A467-F469 PolarHBondContact O-N 3.05Å; A467-F469 VanDerWaalsContact O-N 3.1Å
468	N	31.7	Very low	30.4	Very low	124 Å²	124	136.5 Å²	136.5	66%	0.663	74%	0.74	S	S	*	*			trans	-84.9	74	-179.8	-85.3	-69.5	0	0	0	112.4	D466 V470	D466-N468 PolarHBondContact O-N 3.14Å; N468-V470 VanDerWaalsContact C-N 3.32Å; N468-V470 PolarHBondContact O-N 2.85Å
469	F	29.5	Very low	30.3	Very low	208 Å²	208	139.6 Å²	139.6	91%	0.912	74%	0.741	S	S	*	*			trans	-74.8	73.4	-176.6	-133.8	-87.4	0	0	0	113.5	A467 P471	A467-F469 PolarHBondContact O-N 3.05Å; A467-F469 VanDerWaalsContact O-N 3.1Å; F469-P471 WeakPolarHBondContact O-CD 3.2Å
470	V	30.6	Very low	30.1	Very low	112 Å²	112	134.9 Å²	134.9	68%	0.679	73%	0.731	S	S	*	*			trans	-71.9	122.3	-178.1	178.7	0	0	0	0	111.9	N468 N472	N468-V470 VanDerWaalsContact C-N 3.32Å; N468-V470 PolarHBondContact O-N 2.85Å; V470-N472 PolarHBondContact O-N 3.32Å
471	P	30	Very low	29.9	Very low	110 Å²	110	137.8 Å²	137.8	71%	0.714	74%	0.739	S	S	*	*			trans	-65.5	98.6	179	-24.5	36.3	0	0	0	113.1	F469 C473	F469-P471 WeakPolarHBondContact O-CD 3.2Å; P471-C473 PolarHBondContact O-N 3.19Å; P471-C473 PolarHBondContact O-SG 2.96Å; P471-C473 VanDerWaalsContact O-SG 3.42Å
472	N	29.8	Very low	29.7	Very low	127 Å²	127	135.7 Å²	135.7	68%	0.679	74%	0.738	S	S	*	*			trans	-65.6	132.7	-164.9	-155.9	-12.8	0	0	0	112.9	V470 Y474	V470-N472 PolarHBondContact O-N 3.32Å; N472-Y474 WeakPolarHBondContact OD1-CD2 3.47Å; N472-Y474 VanDerWaalsContact OD1-CE2 3.25Å; N472-Y474 WeakPolarHBondContact OD1-CE2 3.46Å
473	C	25.6	Very low	29.6	Very low	71 Å²	71	133.6 Å²	133.6	48%	0.48	73%	0.732	S	S	.	*			trans	-110	66	-159.5	-92	0	0	0	0	114	K322 P471 Q475	K322-C473 PolarHBondContact NZ-SG 3.35Å; P471-C473 PolarHBondContact O-N 3.19Å; P471-C473 PolarHBondContact O-SG 2.96Å; P471-C473 VanDerWaalsContact O-SG 3.42Å; C473-Q475 PolarHBondContact O-N 3.48Å
474	Y	33.7	Very low	29.8	Very low	177 Å²	177	134.6 Å²	134.6	69%	0.694	74%	0.737	S	S	*	*			trans	-86.5	112.9	-175.4	-88.4	-108.3	0	0	0	115.2	N472	N472-Y474 WeakPolarHBondContact OD1-CD2 3.47Å; N472-Y474 VanDerWaalsContact OD1-CE2 3.25Å; N472-Y474 WeakPolarHBondContact OD1-CE2 3.46Å
475	Q	34.9	Very low	29.8	Very low	139 Å²	139	135.4 Å²	135.4	65%	0.65	74%	0.737	S	S	*	*			trans	40	94.6	136.9	-51.7	-170.9	34	0	0	118.8	C473 S477	C473-Q475 PolarHBondContact O-N 3.48Å; Q475-S477 PolarHBondContact O-N 3.06Å
476	N	26.5	Very low	29.7	Very low	147 Å²	147	132.8 Å²	132.8	79%	0.786	74%	0.737	S	S	*	*			trans	-82.3	91.4	153.2	-94.4	-35.2	0	0	0	109.8	R411	R411-N476 PolarHBondContact NH1-OD1 2.97Å
477	S	31.5	Very low	29.8	Very low	83 Å²	83	132.3 Å²	132.3	58%	0.58	74%	0.739	S	S	*	*			trans	-125	121.8	165.9	-166.6	0	0	0	0	111.2	Q475	Q475-S477 PolarHBondContact O-N 3.06Å
478	I	31.3	Very low	29.7	Very low	148 Å²	148	138.2 Å²	138.2	76%	0.759	74%	0.742	S	S	*	*			trans	30.7	105.2	143.6	-56.9	165.4	0	0	0	117.5
479	Y	29.8	Very low	29.7	Very low	232 Å²	232	137.2 Å²	137.2	91%	0.91	74%	0.743	S	S	*	*			trans	46.7	117.3	146.8	-76.7	-97	0	0	0	121.6
480	G	28.5	Very low	29.5	Very low	65 Å²	65	134.1 Å²	134.1	67%	0.67	73%	0.733	S	S	*	*			trans	86.2	127.2	140.3	0	0	0	0	0	117.2
481	P	28.8	Very low	29.5	Very low	122 Å²	122	133.7 Å²	133.7	79%	0.792	74%	0.741	S	S	*	*			trans	-75.8	133	162.4	32.3	-30.8	0	0	0	109.6
482	V	28.1	Very low	29.4	Very low	132 Å²	132	135.7 Å²	135.7	80%	0.8	74%	0.741	S	S	*	*			trans	-116	117.6	164.1	177.5	0	0	0	0	106.3
483	Y	26.4	Very low	29.4	Very low	204 Å²	204	137.7 Å²	137.7	80%	0.8	75%	0.752	S	S	*	*			trans	-72.1	132.2	174.1	-81.9	-98.4	0	0	0	110.1
484	V	32.5	Very low	29.5	Very low	130 Å²	130	142.8 Å²	142.8	79%	0.788	77%	0.769	S	S	*	*			trans	-141.9	116.6	155.4	-175.4	0	0	0	0	106.5
485	N	27.2	Very low	29.4	Very low	153 Å²	153	141.2 Å²	141.2	82%	0.818	77%	0.772	S	S	*	*			trans	-80.5	146.8	172.3	-69.7	-9	0	0	0	109.6
486	G	31.8	Very low	29.2	Very low	80 Å²	80	142.9 Å²	142.9	83%	0.825	78%	0.78	S	S	*	*			trans	173.8	91.9	178.1	0	0	0	0	0	111.6
487	T	28.5	Very low	29.2	Very low	118 Å²	118	140.9 Å²	140.9	72%	0.724	78%	0.776	S	S	*	*			trans	-75.7	150.8	171.5	47.1	0	0	0	0	111.1
488	Y	27	Very low	29.2	Very low	220 Å²	220	141.4 Å²	141.4	86%	0.863	78%	0.78	S	S	*	*				179.2	158.4	112.4	-95.5	-77.9	0	0	0	108.6
489	P	31	Very low	29	Very low	104 Å²	104	140.1 Å²	140.1	68%	0.675	78%	0.784	S	S	*	*			trans	-115.3	176.7	-152	44.7	-39.2	0	0	0	116
490	M	25.2	Very low	29.1	Very low	142 Å²	142	135 Å²	135	70%	0.7	78%	0.782	S	S	*	*			trans	47.8	123.2	149.3	-65.9	-65.9	-79.8	0	0	120.8	E492	M490-E492 HydrophobicContact CE-CG 3.66Å; M490-E492 WeakPolarHBondContact CE-OE1 3.26Å
491	A	32.1	Very low	29.3	Very low	104 Å²	104	140 Å²	140	86%	0.86	79%	0.788	S	S	*	*			trans	-147.1	130.1	140.3	0	0	0	0	0	108
492	E	26.9	Very low	29.3	Very low	152 Å²	152	145.4 Å²	145.4	71%	0.71	80%	0.795	S	S	*	*			trans	-94.9	160.8	-179.3	-67.8	156.8	154.6	0	0	110.9	M490	M490-E492 HydrophobicContact CE-CG 3.66Å; M490-E492 WeakPolarHBondContact CE-OE1 3.26Å
493	N	30.8	Very low	29.3	Very low	169 Å²	169	147.4 Å²	147.4	90%	0.904	80%	0.795	S	S	*	*			trans	-168.1	132.6	144	-99.7	-31.6	0	0	0	108.6
494	E	28	Very low	29.5	Very low	178 Å²	178	146 Å²	146	83%	0.832	80%	0.796	S	S	*	*			trans	-95	-153.5	178.3	-58	-167.2	118.5	0	0	110.7
495	N	30.8	Very low	29.3	Very low	144 Å²	144	144.4 Å²	144.4	77%	0.77	80%	0.796	S	S	*	*			trans	78.7	133	177.8	-53.6	-7.3	0	0	0	116.3
496	E	30.5	Very low	29.4	Very low	173 Å²	173	145.9 Å²	145.9	81%	0.808	80%	0.795	S	S	*	*			cis	-167.2	170.5	-22.2	-137.6	-176.7	176.5	0	0	112
497	C	27	Very low	29.1	Very low	106 Å²	106	149.4 Å²	149.4	72%	0.716	80%	0.795	S	S	*	*			trans	78.6	138.6	145.9	-155.5	0	0	0	0	122.2
498	S	30.7	Very low	29.1	Very low	94 Å²	94	149.9 Å²	149.9	66%	0.657	80%	0.798	S	S	*	*			trans	33.8	120.5	159.8	59.8	0	0	0	0	121.4
499	S	28	Very low	29.1	Very low	120 Å²	120	144.2 Å²	144.2	84%	0.839	79%	0.79	S	S	*	*			cis	90.5	114	36.8	82.2	0	0	0	0	115.9
500	S	31.9	Very low	28.8	Very low	126 Å²	126	147.1 Å²	147.1	88%	0.881	80%	0.799	S	S	*	*			trans	-164.7	148.2	150.2	-169.8	0	0	0	0	109.3
501	Q	31.8	Very low	28.9	Very low	169 Å²	169	151.7 Å²	151.7	79%	0.79	81%	0.808	S	S	*	*			trans	-99.9	152.6	-168.2	-61.5	164.2	-23.6	0	0	112.2
502	Y	28.6	Very low	28.5	Very low	236 Å²	236	157.5 Å²	157.5	93%	0.925	81%	0.81	S	S	*	*			trans	-159.5	121	141.2	-118.6	-77.2	0	0	0	111.1
503	H	29.1	Very low	28.4	Very low	173 Å²	173	153.8 Å²	153.8	80%	0.801	81%	0.812	S	S	*	*			trans	-77.9	145	175.3	-85.7	-107.9	0	0	0	111.8
504	Q	30.9	Very low	28.1	Very low	176 Å²	176	156 Å²	156	82%	0.822	81%	0.814	S	S	*	*				-177.3	114	122.1	-100.9	175	28.5	0	0	111.1
505	A	26.7	Very low	28.2	Very low	96 Å²	96	151.5 Å²	151.5	79%	0.793	81%	0.808	S	S	*	*			trans	-85.2	134.7	169.6	0	0	0	0	0	110.3
506	K	29.7	Very low	28.2	Very low	183 Å²	183	151.8 Å²	151.8	80%	0.796	81%	0.809	S	S	*	*			trans	-109.5	94.7	170.1	-78.4	-171.2	174.3	-177.5	0	110.6
507	N	26.2	Very low	28.1	Very low	154 Å²	154	152.8 Å²	152.8	82%	0.824	81%	0.814	S	S	*	*			trans	-61.7	134.9	161.8	-76.7	-27.3	0	0	0	109.4
508	V	28.1	Very low	28.3	Very low	129 Å²	129	152.9 Å²	152.9	78%	0.782	81%	0.813	S	S	*	*			trans	-116.2	83.9	172.4	-177.7	0	0	0	0	108.4	L510	V508-L510 PolarHBondContact O-N 3.39Å
509	S	26.9	Very low	28.2	Very low	100 Å²	100	156 Å²	156	70%	0.699	82%	0.817	S	S	*	*			trans	-74.8	118.4	168.8	-60.7	0	0	0	0	109.4	R511	S509-R511 VanDerWaalsContact C-N 3.32Å; S509-R511 PolarHBondContact O-N 2.89Å
510	L	25.1	Very low	28.4	Very low	166 Å²	166	156.5 Å²	156.5	87%	0.869	81%	0.81	S	S	*	*			trans	-76.1	85.4	167.1	-76.9	167.2	0	0	0	109.3	V508	V508-L510 PolarHBondContact O-N 3.39Å
511	R	26	Very low	28.3	Very low	238 Å²	238	156.9 Å²	156.9	90%	0.898	80%	0.803	S	S	*	*			trans	-76.3	127.7	161.3	-77.4	-171.9	173.4	-172.7	-1.9	108.7	S509	S509-R511 VanDerWaalsContact C-N 3.32Å; S509-R511 PolarHBondContact O-N 2.89Å
512	Y	23.9	Very low	28.4	Very low	226 Å²	226	155.6 Å²	155.6	89%	0.886	80%	0.796	S	S	*	*			trans	-73.4	146.1	151.8	-82.6	-95.6	0	0	0	108.4
513	G	26.4	Very low	28.5	Very low	74 Å²	74	152 Å²	152	76%	0.763	79%	0.786	S	S	*	*			trans	-150.8	120.5	171.1	0	0	0	0	0	108.7
514	F	24.5	Very low	28.7	Very low	214 Å²	214	150.3 Å²	150.3	94%	0.939	78%	0.781	S	S	*	*			trans	-84.9	147.6	163.5	-81.7	-98.1	0	0	0	108.7
515	A	30	Very low	28.6	Very low	85 Å²	85	147.7 Å²	147.7	70%	0.702	77%	0.773	S	S	*	*			trans	-152.1	113.1	161.5	0	0	0	0	0	108.3
516	D	29.8	Very low	28.7	Very low	150 Å²	150	151 Å²	151	80%	0.802	77%	0.772	S	S	*	*			trans	41.6	111.7	142.9	-40.6	-35.2	0	0	0	120
517	Q	29.2	Very low	28.6	Very low	194 Å²	194	146.2 Å²	146.2	91%	0.907	77%	0.766	S	S	*	*				-145.7	139.5	107.8	-72.9	-147.9	-91	0	0	109.9
518	P	30.2	Very low	28.7	Very low	107 Å²	107	144.1 Å²	144.1	70%	0.695	76%	0.764	S	S	*	*			trans	-101	-170.4	177.1	39.5	-34.8	0	0	0	113.5
519	E	30	Very low	28.8	Very low	160 Å²	160	145.6 Å²	145.6	75%	0.748	77%	0.766	S	S	*	*			trans	98.6	120.7	162.5	-68.3	174.7	-145.3	0	0	119.3
520	N	30.5	Very low	28.7	Very low	130 Å²	130	150.5 Å²	150.5	70%	0.695	78%	0.776	S	S	*	*			trans	65	137	152.2	-47.9	-17.4	0	0	0	117
521	D	30.7	Very low	28.9	Very low	135 Å²	135	148.4 Å²	148.4	72%	0.722	77%	0.772	S	S	*	*			cis	-162.4	161.7	-1.5	-103.9	-32.3	0	0	0	105.2
522	H	34.5	Very low	28.9	Very low	142 Å²	142	141.1 Å²	141.1	66%	0.657	76%	0.763	S	S	*	*			cis	179.7	170.8	-7.3	-166.7	-65	0	0	0	103.5
523	F	30.7	Very low	29.1	Very low	159 Å²	159	138.3 Å²	138.3	70%	0.697	76%	0.763	S	S	*	*			trans	80.9	100.6	168.5	-77.9	-80.1	0	0	0	121.7
524	I	32.5	Very low	29	Very low	139 Å²	139	144.3 Å²	144.3	71%	0.713	77%	0.768	S	S	*	*				50.3	113.2	123.4	-59.2	-175.5	0	0	0	117.6
525	N	28.9	Very low	29.2	Very low	120 Å²	120	143.7 Å²	143.7	64%	0.642	77%	0.765	S	S	*	*			cis	92.7	131.5	40.1	-157.9	52.4	0	0	0	113.6
526	E	30	Very low	28.9	Very low	167 Å²	167	144 Å²	144	78%	0.78	76%	0.762	S	S	*	*			trans	54.8	147.7	166.9	-72.3	155.8	-149.6	0	0	119.5
527	A	27.3	Very low	28.9	Very low	81 Å²	81	143.9 Å²	143.9	67%	0.669	76%	0.76	S	S	*	*			cis	167.6	166.2	-24.2	0	0	0	0	0	106
528	S	28.4	Very low	28.7	Very low	110 Å²	110	140.3 Å²	140.3	77%	0.769	75%	0.747	S	S	*	*			trans	78.2	153.3	171.1	84.6	0	0	0	0	119
529	L	29.3	Very low	28.6	Very low	160 Å²	160	142.5 Å²	142.5	84%	0.838	75%	0.753	S	S	*	*			trans	70.1	101	164.9	-59.6	169.3	0	0	0	119.6
530	F	24.2	Very low	28.4	Very low	204 Å²	204	142.8 Å²	142.8	90%	0.895	76%	0.756	S	S	*	*			trans	-57.2	150.9	147.1	-83.6	-90.8	0	0	0	110.4
531	P	29.5	Very low	28.2	Very low	122 Å²	122	142.9 Å²	142.9	79%	0.792	76%	0.762	S	S	*	*				-142.2	176.9	88	38.2	-22.4	0	0	0	114.9
532	A	25.9	Very low	28.1	Very low	85 Å²	85	144 Å²	144	70%	0.702	77%	0.767	S	S	*	*			trans	-73.4	150.6	179.6	0	0	0	0	0	113.6
533	N	29.9	Very low	27.7	Very low	166 Å²	166	143 Å²	143	89%	0.888	78%	0.776	S	S	*	*				-166.4	157.3	128.6	-106.5	-54.5	0	0	0	113.1
534	F	22.7	Very low	27.4	Very low	201 Å²	201	138.9 Å²	138.9	88%	0.882	78%	0.778	S	S	*	*			trans	-67.2	145.1	-179.3	-97	-116.2	0	0	0	113.9
535	K	29.2	Very low	27.2	Very low	200 Å²	200	137.8 Å²	137.8	87%	0.87	78%	0.777	S	S	*	*				-167.7	156.1	128.4	-103.9	151	-171.1	174.1	0	112.3
536	S	24.5	Very low	27.2	Very low	92 Å²	92	140.9 Å²	140.9	64%	0.643	79%	0.788	S	S	*	*			trans	-66	144.2	178.6	-167	0	0	0	0	111.4	D538	S536-D538 PolarHBondContact OG-OD2 3.02Å
537	I	29.1	Very low	27.1	Very low	148 Å²	148	138.6 Å²	138.6	76%	0.759	78%	0.781	S	S	*	*			trans	-131.8	88	162	-56.1	-178.3	0	0	0	107.9
538	D	25.9	Very low	27.3	Very low	119 Å²	119	142.4 Å²	142.4	64%	0.636	79%	0.788	S	S	*	*			trans	-66.7	151.8	161	-64.2	-85.4	0	0	0	110.2	S536	S536-D538 PolarHBondContact OG-OD2 3.02Å
539	N	26.5	Very low	27.3	Very low	153 Å²	153	144 Å²	144	82%	0.818	79%	0.788	S	S	*	*			trans	60.6	85	167	-55.5	-52	0	0	0	118
540	M	27.6	Very low	27.6	Very low	166 Å²	166	137.7 Å²	137.7	82%	0.818	76%	0.759	S	S	*	*			trans	-125	105.9	147	-85.4	-158.6	173.1	0	0	112.3	L542	M540-L542 PolarHBondContact O-N 3.16Å
541	T	24.6	Very low	28.5	Very low	132 Å²	132	129.7 Å²	129.7	81%	0.81	73%	0.727	S	S	*	*			trans	-79.9	92	171.2	48.3	0	0	0	0	110.8	S543	T541-S543 VanDerWaalsContact C-N 3.26Å; T541-S543 PolarHBondContact O-N 3Å
542	L	29.5	Very low	29.5	Very low	158 Å²	158	127.3 Å²	127.3	83%	0.827	71%	0.705	S	S	*	*			trans	-77.9	72	174.4	-90.8	165.7	0	0	0	112.7	M540 G544	M540-L542 PolarHBondContact O-N 3.16Å; L542-G544 PolarHBondContact O-N 3.39Å
543	S	25.3	Very low	30.8	Very low	122 Å²	122	124.9 Å²	124.9	85%	0.853	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	92.2	163.6	53	0	0	0	0	110.2	T541	T541-S543 VanDerWaalsContact C-N 3.26Å; T541-S543 PolarHBondContact O-N 3Å
544	G	25.6	Very low	31.9	Very low	71 Å²	71	118.2 Å²	118.2	73%	0.732	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-168.3	-23.5	178.9	0	0	0	0	0	117.5	L542	L542-G544 PolarHBondContact O-N 3.39Å
545	V	28	Very low	33.3	Very low	116 Å²	116	109.9 Å²	109.9	70%	0.703	61%	0.607	S	S	*	*			trans	-101.7	120	-171.8	-174.6	0	0	0	0	112.5	L547	V545-L547 HydrophobicContact CG1-CG 4.44Å; V545-L547 PolarHBondContact O-N 3.49Å
546	Q	28.1	Very low	34.8	Very low	186 Å²	186	100.3 Å²	100.3	87%	0.869	57%	0.566	S	S	*	*			trans	-73.4	85.6	172.2	-67.1	-169.1	7.8	0	0	111.4	I548	Q546-I548 PolarHBondContact O-N 2.98Å; Q546-I548 VanDerWaalsContact O-N 3.1Å
547	L	28.7	Very low	36.1	Very low	118 Å²	118	98.8 Å²	98.8	62%	0.618	55%	0.546	S	S	*	.			trans	-65.6	103.7	-175.2	-86.7	157.2	0	0	0	114.1	V545 N549	V545-L547 HydrophobicContact CG1-CG 4.44Å; V545-L547 PolarHBondContact O-N 3.49Å; L547-N549 PolarHBondContact O-N 3.03Å
548	I	31	Very low	37.3	Very low	161 Å²	161	93.2 Å²	93.2	83%	0.826	53%	0.526	S	S	*	.			trans	-76.3	70.5	173.5	-48.7	-179.4	0	0	0	111.2	Q546 A550	Q546-I548 PolarHBondContact O-N 2.98Å; Q546-I548 VanDerWaalsContact O-N 3.1Å; I548-A550 VanDerWaalsContact C-N 3.3Å; I548-A550 PolarHBondContact O-N 3.4Å
549	N	29	Very low	39.2	Very low	143 Å²	143	90.1 Å²	90.1	77%	0.765	51%	0.513	S	S	*	.	S	Bend	trans	46.4	38.5	158.2	-78	-82.2	0	0	0	117.4	L547	L547-N549 PolarHBondContact O-N 3.03Å
550	A	34.2	Very low	40.8	Very low	29 Å²	29	84.3 Å²	84.3	24%	0.24	49%	0.486	C	S	.	.			trans	-77.7	151.2	165.5	0	0	0	0	0	110.7	I548	I548-A550 VanDerWaalsContact C-N 3.3Å; I548-A550 PolarHBondContact O-N 3.4Å
551	T	44.4	Very low	42.2	Very low	35 Å²	35	81.5 Å²	81.5	22%	0.215	47%	0.472	C	S	.	.			trans	-98.2	111.6	158.7	37	0	0	0	0	108.2	R349 L553 Y588	R349-T551 HydrophobicContact CB-CG2 3.38Å; R349-T551 HydrophobicContact CG-CG2 3.53Å; T551-L553 PolarHBondContact O-N 3.4Å; T551-Y588 WeakPolarHBondContact O-CB 3.46Å
552	E	50.1	Low	43.9	Very low	72 Å²	72	79.2 Å²	79.2	34%	0.336	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.8	132.3	162.6	-62.1	154.5	-149.2	0	0	109.2	Y554 L585 I586 L587	E552-Y554 HydrophobicContact CB-CE2 4.04Å; E552-Y554 PolarHBondContact OE2-OH 3.05Å; E552-L585 HydrophobicContact CB-CD2 4.12Å; E552-L585 HydrophobicContact CG-CD2 3.79Å; E552-I586 WeakPolarHBondContact CA-O 3.44Å; E552-L587 HydrophobicContact CG-CD2 3.83Å
553	L	52.8	Low	45.2	Very low	35 Å²	35	73 Å²	73	18%	0.183	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	136.8	162	-69.6	-176.9	0	0	0	108.1	T551 I586 Y588	T551-L553 PolarHBondContact O-N 3.4Å; L553-I586 PolarHBondContact N-O 3.15Å; L553-I586 WeakPolarHBondContact O-CA 3.44Å; L553-I586 WeakPolarHBondContact O-CB 3.21Å; L553-I586 PolarHBondContact O-N 2.87Å; L553-Y588 HydrophobicContact CD1-CD2 3.58Å; L553-Y588 HydrophobicContact CD1-CE2 3.6Å; L553-Y588 HydrophobicContact CG-CD2 3.99Å; L553-Y588 HydrophobicContact CG-CE2 4.48Å
554	Y	53.3	Low	46.8	Very low	25 Å²	25	69.5 Å²	69.5	10%	0.098	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	120.4	-179.8	-64.2	-95.8	0	0	0	107.1	E552 T562 F563 H566 F583 L585	E552-Y554 HydrophobicContact CB-CE2 4.04Å; E552-Y554 PolarHBondContact OE2-OH 3.05Å; Y554-T562 WeakPolarHBondContact O-CA 3.49Å; Y554-F563 PolarHBondContact N-O 2.96Å; Y554-F563 PolarHBondContact O-N 2.91Å; Y554-H566 HydrophobicContact CD1-CB 3.82Å; Y554-H566 HydrophobicContact CE1-CB 3.59Å; Y554-H566 HydrophobicContact CG-CB 4.38Å; Y554-F583 AromaticContact CD1-CE2 3.84Å; Y554-F583 HydrophobicContact CD1-CE2 3.84Å; Y554-F583 HydrophobicContact CD1-CZ 4.29Å; Y554-F583 HydrophobicContact CE1-CE2 4.23Å; Y554-F583 HydrophobicContact CE1-CZ 4.36Å; Y554-L585 HydrophobicContact CD1-CD1 4.45Å; Y554-L585 HydrophobicContact CD1-CG 4.28Å; Y554-L585 HydrophobicContact CE1-CD1 3.63Å; Y554-L585 HydrophobicContact CE1-CG 3.84Å
555	L	51.7	Low	48.7	Very low	26 Å²	26	71.3 Å²	71.3	14%	0.136	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	131.1	-179.4	-179.1	65.6	0	0	0	109.5	Y557 T562 N584 I586	L555-Y557 HydrophobicContact CB-CE2 4.25Å; L555-Y557 HydrophobicContact CD2-CD2 4.04Å; L555-Y557 HydrophobicContact CD2-CE2 3.63Å; L555-Y557 HydrophobicContact CG-CD2 4.11Å; L555-Y557 HydrophobicContact CG-CE2 4.04Å; L555-T562 HydrophobicContact CD1-CG2 3.81Å; L555-N584 PolarHBondContact N-O 3.12Å; L555-N584 PolarHBondContact O-N 3.13Å; L555-I586 HydrophobicContact CB-CD1 3.76Å; L555-I586 HydrophobicContact CB-CG1 4.24Å; L555-I586 HydrophobicContact CD2-CD1 3.77Å; L555-I586 HydrophobicContact CG-CD1 4.3Å
556	C	60.5	Low	50.2	Low	0 Å²	0	70.3 Å²	70.3	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	119.3	160.2	178.8	0	0	0	0	109.4	G558 A560 M561 F563 L569 H572 L578 H582	C556-G558 PolarHBondContact SG-N 3.34Å; C556-G558 VanDerWaalsContact SG-N 3.45Å; C556-A560 WeakPolarHBondContact O-CA 3.34Å; C556-A560 PolarHBondContact O-N 2.79Å; C556-M561 PolarHBondContact N-O 3.26Å; C556-F563 HydrophobicContact CB-CE2 3.91Å; C556-L569 HydrophobicContact CB-CD1 3.54Å; C556-H572 PolarHBondContact SG-NE2 2.04Å; C556-L578 VanDerWaalsContact SG-CD1 3.55Å; C556-H582 WeakPolarHBondContact CA-O 3.27Å
557	Y	52	Low	52.2	Low	59 Å²	59	65.9 Å²	65.9	23%	0.231	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-30.2	177.6	-83	-114.8	0	0	0	112.4	L555 C559 H582 N584	L555-Y557 HydrophobicContact CB-CE2 4.25Å; L555-Y557 HydrophobicContact CD2-CD2 4.04Å; L555-Y557 HydrophobicContact CD2-CE2 3.63Å; L555-Y557 HydrophobicContact CG-CD2 4.11Å; L555-Y557 HydrophobicContact CG-CE2 4.04Å; Y557-C559 VanDerWaalsContact C-N 3.27Å; Y557-C559 PolarHBondContact O-N 3.36Å; Y557-H582 PolarHBondContact N-O 3.05Å; Y557-N584 HydrophobicContact CD2-CB 4.19Å; Y557-N584 HydrophobicContact CE2-CB 3.37Å
558	G	54	Low	54.1	Low	32 Å²	32	63.8 Å²	63.8	33%	0.33	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-25.7	-178.6	0	0	0	0	0	114.3	C556 H582	C556-G558 PolarHBondContact SG-N 3.34Å; C556-G558 VanDerWaalsContact SG-N 3.45Å; G558-H582 PolarHBondContact N-CD2 2.92Å; G558-H582 VanDerWaalsContact N-CD2 3.31Å
559	C	66.8	Low	55.7	Low	54 Å²	54	56.1 Å²	56.1	37%	0.365	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.8	4.3	-177.9	73.8	0	0	0	0	115.4	Y557 M561 H572	Y557-C559 VanDerWaalsContact C-N 3.27Å; Y557-C559 PolarHBondContact O-N 3.36Å; C559-M561 PolarHBondContact O-N 2.67Å; C559-M561 VanDerWaalsContact O-N 3.15Å; C559-M561 WeakPolarHBondContact SG-CB 3.4Å; C559-M561 WeakPolarHBondContact SG-CG 3.34Å; C559-H572 VanDerWaalsContact SG-CE1 3.58Å; C559-H572 PolarHBondContact SG-NE2 3.48Å
560	A	58.8	Low	57.5	Low	31 Å²	31	52.4 Å²	52.4	26%	0.256	30%	0.295	S	S	.	.			trans	56.7	18.3	-174.7	0	0	0	0	0	116.2	C556 F622	C556-A560 WeakPolarHBondContact O-CA 3.34Å; C556-A560 PolarHBondContact O-N 2.79Å; A560-F622 HydrophobicContact CB-CZ 4.31Å
561	M	57.7	Low	59.3	Low	107 Å²	107	57 Å²	57	53%	0.527	31%	0.309	S	S	.	.			trans	-76.7	136	177.2	-73.7	-76.3	-74.3	0	0	111.9	C556 C559 F563	C556-M561 PolarHBondContact N-O 3.26Å; C559-M561 PolarHBondContact O-N 2.67Å; C559-M561 VanDerWaalsContact O-N 3.15Å; C559-M561 WeakPolarHBondContact SG-CB 3.4Å; C559-M561 WeakPolarHBondContact SG-CG 3.34Å; M561-F563 HydrophobicContact CB-CD2 4.48Å; M561-F563 HydrophobicContact CB-CE2 3.52Å; M561-F563 HydrophobicContact CB-CZ 3.56Å; M561-F563 WeakPolarHBondContact O-CD2 3.38Å; M561-F563 VanDerWaalsContact O-CE2 3.29Å; M561-F563 WeakPolarHBondContact O-CE2 3.35Å
562	T	59.6	Low	60.6	Low	83 Å²	83	56.4 Å²	56.4	51%	0.509	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	131.8	176.6	45.7	0	0	0	0	111.9	Y554 L555	Y554-T562 WeakPolarHBondContact O-CA 3.49Å; L555-T562 HydrophobicContact CD1-CG2 3.81Å
563	F	57.3	Low	61.3	Low	29 Å²	29	53.6 Å²	53.6	13%	0.127	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	144.6	-173	-62	-82.4	0	0	0	111.3	Y554 C556 M561 D568 L569 H572	Y554-F563 PolarHBondContact N-O 2.96Å; Y554-F563 PolarHBondContact O-N 2.91Å; C556-F563 HydrophobicContact CB-CE2 3.91Å; M561-F563 HydrophobicContact CB-CD2 4.48Å; M561-F563 HydrophobicContact CB-CE2 3.52Å; M561-F563 HydrophobicContact CB-CZ 3.56Å; M561-F563 WeakPolarHBondContact O-CD2 3.38Å; M561-F563 VanDerWaalsContact O-CE2 3.29Å; M561-F563 WeakPolarHBondContact O-CE2 3.35Å; F563-D568 HydrophobicContact CB-CB 3.98Å; F563-D568 HydrophobicContact CD1-CB 3.75Å; F563-D568 HydrophobicContact CG-CB 4.25Å; F563-L569 HydrophobicContact CB-CB 4.04Å; F563-L569 HydrophobicContact CD2-CB 3.81Å; F563-L569 HydrophobicContact CD2-CD1 3.69Å; F563-L569 HydrophobicContact CD2-CG 4.31Å; F563-L569 HydrophobicContact CE2-CD1 3.77Å; F563-L569 HydrophobicContact CG-CB 3.99Å; F563-H572 HydrophobicContact CE1-CB 3.71Å; F563-H572 HydrophobicContact CE2-CB 4.15Å; F563-H572 AromaticContact CE2-CD2 3.52Å; F563-H572 AromaticContact CE2-CG 3.97Å; F563-H572 HydrophobicContact CZ-CB 3.41Å; F563-H572 VanDerWaalsContact CZ-CB 3.41Å; F563-H572 AromaticContact CZ-CD2 3.35Å; F563-H572 WeakPolarHBondContact CZ-CD2 3.23Å; F563-H572 AromaticContact CZ-CG 3.33Å
564	S	59.9	Low	62.1	Low	47 Å²	47	58 Å²	58	33%	0.329	31%	0.314	S	S	.	.	S	Bend	trans	-79	-19.6	-176.5	26.3	0	0	0	0	114.6	D568	S564-D568 PolarHBondContact OG-OD2 3.28Å; S564-D568 VanDerWaalsContact OG-OD2 3.07Å
565	H	64	Low	63	Low	110 Å²	110	61.7 Å²	61.7	51%	0.509	34%	0.336	S	S	.	.	S	Bend	trans	-145.1	152.6	178.9	-78.6	-89.4	0	0	0	109	V567 D568 L569	H565-V567 PolarHBondContact O-N 2.96Å; H565-D568 PolarHBondContact O-N 2.87Å; H565-D568 VanDerWaalsContact O-N 3.15Å; H565-L569 PolarHBondContact O-N 3.14Å
566	H	59.3	Low	63.7	Low	95 Å²	95	64.7 Å²	64.7	44%	0.44	35%	0.352	S	S	.	.	H	α-helix	trans	-57.1	-35.1	173.7	63.8	-102.1	0	0	0	111.9	Y554 D568 L569 V570	Y554-H566 HydrophobicContact CD1-CB 3.82Å; Y554-H566 HydrophobicContact CE1-CB 3.59Å; Y554-H566 HydrophobicContact CG-CB 4.38Å; H566-D568 VanDerWaalsContact C-N 3.31Å; H566-D568 PolarHBondContact O-N 3.19Å; H566-L569 CarbonylContact O-C 3.53Å; H566-L569 PolarHBondContact O-N 3.42Å; H566-L569 VanDerWaalsContact O-N 3.08Å; H566-V570 WeakPolarHBondContact O-CG2 3.36Å; H566-V570 PolarHBondContact O-N 3.07Å
567	V	70.6	Confident	63.5	Low	92 Å²	92	72.4 Å²	72.4	56%	0.558	39%	0.393	S	S	*	.	H	α-helix	trans	-60.6	-39	179	-172.5	0	0	0	0	111.9	H565 L569 K571	H565-V567 PolarHBondContact O-N 2.96Å; V567-L569 VanDerWaalsContact C-N 3.35Å; V567-K571 VanDerWaalsContact O-CB 3.26Å; V567-K571 WeakPolarHBondContact O-CB 3.46Å; V567-K571 PolarHBondContact O-N 3.17Å
568	D	69.8	Low	63.8	Low	74 Å²	74	71.7 Å²	71.7	40%	0.396	39%	0.393	S	S	.	.	H	α-helix	trans	-67.9	-36	176.4	-65.4	-47.1	0	0	0	111.2	F563 S564 H565 H566 H572	F563-D568 HydrophobicContact CB-CB 3.98Å; F563-D568 HydrophobicContact CD1-CB 3.75Å; F563-D568 HydrophobicContact CG-CB 4.25Å; S564-D568 PolarHBondContact OG-OD2 3.28Å; S564-D568 VanDerWaalsContact OG-OD2 3.07Å; H565-D568 PolarHBondContact O-N 2.87Å; H565-D568 VanDerWaalsContact O-N 3.15Å; H566-D568 VanDerWaalsContact C-N 3.31Å; H566-D568 PolarHBondContact O-N 3.19Å; D568-H572 WeakPolarHBondContact O-CB 3.42Å; D568-H572 PolarHBondContact O-N 3.18Å; D568-H572 VanDerWaalsContact O-N 3.09Å
569	L	63.4	Low	63.7	Low	0 Å²	0	72.3 Å²	72.3	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-71	-51.7	175.1	171.7	59.9	0	0	0	111.5	C556 F563 H565 H566 V567 K571 H572 L573 F583	C556-L569 HydrophobicContact CB-CD1 3.54Å; F563-L569 HydrophobicContact CB-CB 4.04Å; F563-L569 HydrophobicContact CD2-CB 3.81Å; F563-L569 HydrophobicContact CD2-CD1 3.69Å; F563-L569 HydrophobicContact CD2-CG 4.31Å; F563-L569 HydrophobicContact CE2-CD1 3.77Å; F563-L569 HydrophobicContact CG-CB 3.99Å; H565-L569 PolarHBondContact O-N 3.14Å; H566-L569 CarbonylContact O-C 3.53Å; H566-L569 PolarHBondContact O-N 3.42Å; H566-L569 VanDerWaalsContact O-N 3.08Å; V567-L569 VanDerWaalsContact C-N 3.35Å; L569-K571 VanDerWaalsContact C-N 3.27Å; L569-K571 PolarHBondContact O-N 3.18Å; L569-H572 CarbonylContact O-C 3.49Å; L569-H572 WeakPolarHBondContact O-CA 3.41Å; L569-H572 WeakPolarHBondContact O-CB 3.4Å; L569-H572 PolarHBondContact O-N 3.08Å; L569-L573 HydrophobicContact CD1-CD1 4.16Å; L569-L573 HydrophobicContact CD1-CD2 4.18Å; L569-L573 HydrophobicContact CD1-CG 3.89Å; L569-L573 HydrophobicContact CG-CD1 4.09Å; L569-L573 HydrophobicContact CG-CG 4.27Å; L569-L573 WeakPolarHBondContact O-CG 3.15Å; L569-L573 PolarHBondContact O-N 2.85Å; L569-F583 HydrophobicContact CD2-CB 4.45Å; L569-F583 HydrophobicContact CD2-CD2 3.56Å; L569-F583 HydrophobicContact CD2-CE2 4.26Å; L569-F583 HydrophobicContact CD2-CG 4.33Å
570	V	66.9	Low	62.9	Low	66 Å²	66	75.5 Å²	75.5	40%	0.4	41%	0.41	S	S	.	.	H	α-helix	trans	-57.9	-42.9	179	171.2	0	0	0	0	110.2	H566 H572 L573 L574	H566-V570 WeakPolarHBondContact O-CG2 3.36Å; H566-V570 PolarHBondContact O-N 3.07Å; V570-H572 PolarHBondContact O-N 2.82Å; V570-L573 PolarHBondContact O-N 2.61Å; V570-L574 HydrophobicContact CG1-CD1 3.99Å; V570-L574 VanDerWaalsContact O-CG 3.31Å; V570-L574 WeakPolarHBondContact O-CG 3.19Å; V570-L574 PolarHBondContact O-N 3.25Å
571	K	72.1	Confident	62.3	Low	126 Å²	126	82 Å²	82	55%	0.548	44%	0.435	S	S	.	.	H	α-helix	trans	-60	-44.3	171.7	175.3	159.4	-180	145.3	0	111.9	V567 L569 L574 D575	V567-K571 VanDerWaalsContact O-CB 3.26Å; V567-K571 WeakPolarHBondContact O-CB 3.46Å; V567-K571 PolarHBondContact O-N 3.17Å; L569-K571 VanDerWaalsContact C-N 3.27Å; L569-K571 PolarHBondContact O-N 3.18Å; K571-L574 PolarHBondContact O-N 2.96Å; K571-D575 VanDerWaalsContact CE-CG 3.5Å; K571-D575 VanDerWaalsContact CE-OD1 3.27Å; K571-D575 WeakPolarHBondContact CE-OD1 3.44Å; K571-D575 WeakPolarHBondContact CE-OD2 3.43Å; K571-D575 WeakPolarHBondContact CG-OD2 3.24Å; K571-D575 IonicContact NZ-OD1 3.33Å; K571-D575 VanDerWaalsContact O-CB 3.24Å; K571-D575 WeakPolarHBondContact O-CB 3.44Å; K571-D575 PolarHBondContact O-N 3.31Å
572	H	71.1	Confident	61.7	Low	21 Å²	21	79.4 Å²	79.4	10%	0.097	42%	0.421	C	S	.	.	H	α-helix	trans	-63.2	-40.3	176.4	162.6	57.2	0	0	0	113.1	C556 C559 F563 D568 L569 V570 L574 D575 N576	C556-H572 PolarHBondContact SG-NE2 2.04Å; C559-H572 VanDerWaalsContact SG-CE1 3.58Å; C559-H572 PolarHBondContact SG-NE2 3.48Å; F563-H572 HydrophobicContact CE1-CB 3.71Å; F563-H572 HydrophobicContact CE2-CB 4.15Å; F563-H572 AromaticContact CE2-CD2 3.52Å; F563-H572 AromaticContact CE2-CG 3.97Å; F563-H572 HydrophobicContact CZ-CB 3.41Å; F563-H572 VanDerWaalsContact CZ-CB 3.41Å; F563-H572 AromaticContact CZ-CD2 3.35Å; F563-H572 WeakPolarHBondContact CZ-CD2 3.23Å; F563-H572 AromaticContact CZ-CG 3.33Å; D568-H572 WeakPolarHBondContact O-CB 3.42Å; D568-H572 PolarHBondContact O-N 3.18Å; D568-H572 VanDerWaalsContact O-N 3.09Å; L569-H572 CarbonylContact O-C 3.49Å; L569-H572 WeakPolarHBondContact O-CA 3.41Å; L569-H572 WeakPolarHBondContact O-CB 3.4Å; L569-H572 PolarHBondContact O-N 3.08Å; V570-H572 PolarHBondContact O-N 2.82Å; H572-L574 VanDerWaalsContact C-N 3.34Å; H572-L574 PolarHBondContact O-N 3.36Å; H572-D575 PolarHBondContact O-N 2.84Å; H572-N576 PolarHBondContact CE1-ND2 2.98Å; H572-N576 PolarHBondContact ND1-ND2 3.28Å; H572-N576 WeakPolarHBondContact O-CB 3.32Å; H572-N576 PolarHBondContact O-N 3.15Å; H572-N576 PolarHBondContact O-ND2 3.11Å
573	L	64.7	Low	60.8	Low	13 Å²	13	79.2 Å²	79.2	7%	0.068	41%	0.414	C	S	.	.	H	α-helix	trans	-60.4	-45.7	176.5	-66.2	174	0	0	0	110.6	L569 V570 N576 D577 L578 H582	L569-L573 HydrophobicContact CD1-CD1 4.16Å; L569-L573 HydrophobicContact CD1-CD2 4.18Å; L569-L573 HydrophobicContact CD1-CG 3.89Å; L569-L573 HydrophobicContact CG-CD1 4.09Å; L569-L573 HydrophobicContact CG-CG 4.27Å; L569-L573 WeakPolarHBondContact O-CG 3.15Å; L569-L573 PolarHBondContact O-N 2.85Å; V570-L573 PolarHBondContact O-N 2.61Å; L573-N576 CarbonylContact O-C 3.39Å; L573-N576 PolarHBondContact O-N 3.44Å; L573-D577 PolarHBondContact O-N 2.86Å; L573-D577 VanDerWaalsContact O-N 3.1Å; L573-L578 HydrophobicContact CB-CB 4.42Å; L573-L578 HydrophobicContact CD2-CB 3.57Å; L573-L578 HydrophobicContact CD2-CD1 4.15Å; L573-L578 PolarHBondContact O-N 3.39Å; L573-H582 HydrophobicContact CD2-CB 3.81Å
574	L	69.8	Low	60.3	Low	128 Å²	128	81.8 Å²	81.8	67%	0.67	43%	0.428	S	S	*	.	H	α-helix	trans	-67.5	-38.4	175.2	-66.7	169.6	0	0	0	113.4	V570 K571 H572 N576	V570-L574 HydrophobicContact CG1-CD1 3.99Å; V570-L574 VanDerWaalsContact O-CG 3.31Å; V570-L574 WeakPolarHBondContact O-CG 3.19Å; V570-L574 PolarHBondContact O-N 3.25Å; K571-L574 PolarHBondContact O-N 2.96Å; H572-L574 VanDerWaalsContact C-N 3.34Å; H572-L574 PolarHBondContact O-N 3.36Å; L574-N576 PolarHBondContact O-N 2.98Å
575	D	74.1	Confident	59.2	Low	103 Å²	103	82.6 Å²	82.6	55%	0.551	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-3.6	177.2	-73.8	-11.2	0	0	0	112.3	K571 H572	K571-D575 VanDerWaalsContact CE-CG 3.5Å; K571-D575 VanDerWaalsContact CE-OD1 3.27Å; K571-D575 WeakPolarHBondContact CE-OD1 3.44Å; K571-D575 WeakPolarHBondContact CE-OD2 3.43Å; K571-D575 WeakPolarHBondContact CG-OD2 3.24Å; K571-D575 IonicContact NZ-OD1 3.33Å; K571-D575 VanDerWaalsContact O-CB 3.24Å; K571-D575 WeakPolarHBondContact O-CB 3.44Å; K571-D575 PolarHBondContact O-N 3.31Å; H572-D575 PolarHBondContact O-N 2.84Å
576	N	64.7	Low	57.9	Low	88 Å²	88	80.4 Å²	80.4	47%	0.471	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.4	13.5	-172.6	-64.6	-107.4	0	0	0	113.8	H572 L573 L574 L578	H572-N576 PolarHBondContact CE1-ND2 2.98Å; H572-N576 PolarHBondContact ND1-ND2 3.28Å; H572-N576 WeakPolarHBondContact O-CB 3.32Å; H572-N576 PolarHBondContact O-N 3.15Å; H572-N576 PolarHBondContact O-ND2 3.11Å; L573-N576 CarbonylContact O-C 3.39Å; L573-N576 PolarHBondContact O-N 3.44Å; L574-N576 PolarHBondContact O-N 2.98Å; N576-L578 HydrophobicContact CB-CD1 4.07Å; N576-L578 HydrophobicContact CB-CG 4.18Å; N576-L578 PolarHBondContact O-N 2.93Å; N576-L578 VanDerWaalsContact O-N 3.17Å
577	D	57.3	Low	56.6	Low	163 Å²	163	80.1 Å²	80.1	87%	0.872	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	35.1	-178.7	-62.5	-50.2	0	0	0	115.4	L573	L573-D577 PolarHBondContact O-N 2.86Å; L573-D577 VanDerWaalsContact O-N 3.1Å
578	L	56.9	Low	54.7	Low	44 Å²	44	82 Å²	82	23%	0.23	42%	0.419	C	S	.	.			trans	-91.4	129.8	-179.8	-68.9	169.8	0	0	0	111.5	C556 L573 N576	C556-L578 VanDerWaalsContact SG-CD1 3.55Å; L573-L578 HydrophobicContact CB-CB 4.42Å; L573-L578 HydrophobicContact CD2-CB 3.57Å; L573-L578 HydrophobicContact CD2-CD1 4.15Å; L573-L578 PolarHBondContact O-N 3.39Å; N576-L578 HydrophobicContact CB-CD1 4.07Å; N576-L578 HydrophobicContact CB-CG 4.18Å; N576-L578 PolarHBondContact O-N 2.93Å; N576-L578 VanDerWaalsContact O-N 3.17Å
579	S	52.9	Low	52.6	Low	44 Å²	44	83.1 Å²	83.1	31%	0.308	43%	0.433	S	S	.	.			trans	-59.9	154.7	177.9	70.6	0	0	0	0	112.6	E581 H582	S579-E581 VanDerWaalsContact CB-OE2 3.29Å; S579-E581 WeakPolarHBondContact CB-OE2 3.39Å; S579-E581 PolarHBondContact O-N 3.07Å; S579-E581 VanDerWaalsContact O-N 3.1Å; S579-E581 PolarHBondContact OG-OE2 3.25Å; S579-H582 PolarHBondContact N-ND1 2.61Å; S579-H582 WeakPolarHBondContact O-CB 3.5Å; S579-H582 PolarHBondContact O-N 3.26Å; S579-H582 PolarHBondContact O-ND1 3.35Å; S579-H582 PolarHBondContact OG-CE1 3.19Å; S579-H582 VanDerWaalsContact OG-CE1 3.23Å; S579-H582 PolarHBondContact OG-ND1 3.07Å
580	V	49.1	Very low	51.2	Low	122 Å²	122	87.7 Å²	87.7	74%	0.739	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-59.9	-23.2	179.9	-172.7	0	0	0	0	112.1	H582 F583	V580-H582 PolarHBondContact O-N 2.81Å; V580-H582 VanDerWaalsContact O-N 3.11Å; V580-F583 WeakPolarHBondContact O-CB 3.47Å; V580-F583 PolarHBondContact O-N 3.14Å
581	E	47.6	Very low	49.9	Very low	168 Å²	168	94.4 Å²	94.4	79%	0.785	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-58.8	-21.2	174.6	-55.5	157.6	130.2	0	0	113	S579 F583	S579-E581 VanDerWaalsContact CB-OE2 3.29Å; S579-E581 WeakPolarHBondContact CB-OE2 3.39Å; S579-E581 PolarHBondContact O-N 3.07Å; S579-E581 VanDerWaalsContact O-N 3.1Å; S579-E581 PolarHBondContact OG-OE2 3.25Å; E581-F583 PolarHBondContact O-N 3.4Å
582	H	45.6	Very low	48.6	Very low	52 Å²	52	92.1 Å²	92.1	24%	0.241	47%	0.468	C	S	.	.	G	3₁₀ helix	trans	-76.4	0.3	175.1	-60.8	94.7	0	0	0	113.8	C556 Y557 G558 L573 S579 V580	C556-H582 WeakPolarHBondContact CA-O 3.27Å; Y557-H582 PolarHBondContact N-O 3.05Å; G558-H582 PolarHBondContact N-CD2 2.92Å; G558-H582 VanDerWaalsContact N-CD2 3.31Å; L573-H582 HydrophobicContact CD2-CB 3.81Å; S579-H582 PolarHBondContact N-ND1 2.61Å; S579-H582 WeakPolarHBondContact O-CB 3.5Å; S579-H582 PolarHBondContact O-N 3.26Å; S579-H582 PolarHBondContact O-ND1 3.35Å; S579-H582 PolarHBondContact OG-CE1 3.19Å; S579-H582 VanDerWaalsContact OG-CE1 3.23Å; S579-H582 PolarHBondContact OG-ND1 3.07Å; V580-H582 PolarHBondContact O-N 2.81Å; V580-H582 VanDerWaalsContact O-N 3.11Å
583	F	39	Very low	47.7	Very low	79 Å²	79	96.4 Å²	96.4	35%	0.346	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	129.5	175.6	172.7	-86.6	0	0	0	111.9	Y554 L569 V580 E581 L585	Y554-F583 AromaticContact CD1-CE2 3.84Å; Y554-F583 HydrophobicContact CD1-CE2 3.84Å; Y554-F583 HydrophobicContact CD1-CZ 4.29Å; Y554-F583 HydrophobicContact CE1-CE2 4.23Å; Y554-F583 HydrophobicContact CE1-CZ 4.36Å; L569-F583 HydrophobicContact CD2-CB 4.45Å; L569-F583 HydrophobicContact CD2-CD2 3.56Å; L569-F583 HydrophobicContact CD2-CE2 4.26Å; L569-F583 HydrophobicContact CD2-CG 4.33Å; V580-F583 WeakPolarHBondContact O-CB 3.47Å; V580-F583 PolarHBondContact O-N 3.14Å; E581-F583 PolarHBondContact O-N 3.4Å; F583-L585 HydrophobicContact CZ-CB 4.46Å; F583-L585 HydrophobicContact CZ-CD1 4.41Å
584	N	47.4	Very low	47.1	Very low	82 Å²	82	98 Å²	98	44%	0.439	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	158.1	154.4	-139.3	-44.7	0	0	0	112.8	L555 Y557	L555-N584 PolarHBondContact N-O 3.12Å; L555-N584 PolarHBondContact O-N 3.13Å; Y557-N584 HydrophobicContact CD2-CB 4.19Å; Y557-N584 HydrophobicContact CE2-CB 3.37Å
585	L	36.9	Very low	46.5	Very low	65 Å²	65	92.4 Å²	92.4	34%	0.34	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	103.2	-164.9	-163.7	160.1	0	0	0	110.7	E552 Y554 F583 L587	E552-L585 HydrophobicContact CB-CD2 4.12Å; E552-L585 HydrophobicContact CG-CD2 3.79Å; Y554-L585 HydrophobicContact CD1-CD1 4.45Å; Y554-L585 HydrophobicContact CD1-CG 4.28Å; Y554-L585 HydrophobicContact CE1-CD1 3.63Å; Y554-L585 HydrophobicContact CE1-CG 3.84Å; F583-L585 HydrophobicContact CZ-CB 4.46Å; F583-L585 HydrophobicContact CZ-CD1 4.41Å; L585-L587 HydrophobicContact CD2-CG 4.31Å; L585-L587 PolarHBondContact O-N 3.1Å
586	I	37.9	Very low	45.7	Very low	64 Å²	64	93 Å²	93	33%	0.328	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	104.9	-174.8	-57.4	-175.4	0	0	0	110.4	E552 L553 L555 Y588	E552-I586 WeakPolarHBondContact CA-O 3.44Å; L553-I586 PolarHBondContact N-O 3.15Å; L553-I586 WeakPolarHBondContact O-CA 3.44Å; L553-I586 WeakPolarHBondContact O-CB 3.21Å; L553-I586 PolarHBondContact O-N 2.87Å; L555-I586 HydrophobicContact CB-CD1 3.76Å; L555-I586 HydrophobicContact CB-CG1 4.24Å; L555-I586 HydrophobicContact CD2-CD1 3.77Å; L555-I586 HydrophobicContact CG-CD1 4.3Å; I586-Y588 PolarHBondContact O-N 2.99Å
587	L	30.6	Very low	45.3	Very low	88 Å²	88	93.2 Å²	93.2	46%	0.461	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	107.4	168.5	-78	165.9	0	0	0	110.5	E552 L585 S589	E552-L587 HydrophobicContact CG-CD2 3.83Å; L585-L587 HydrophobicContact CD2-CG 4.31Å; L585-L587 PolarHBondContact O-N 3.1Å; L587-S589 VanDerWaalsContact C-N 3.29Å; L587-S589 PolarHBondContact O-N 3.44Å
588	Y	30.1	Very low	45.3	Very low	131 Å²	131	86.8 Å²	86.8	51%	0.514	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	70.7	-170.9	-153.3	-56.9	0	0	0	112.7	T551 L553 I586	T551-Y588 WeakPolarHBondContact O-CB 3.46Å; L553-Y588 HydrophobicContact CD1-CD2 3.58Å; L553-Y588 HydrophobicContact CD1-CE2 3.6Å; L553-Y588 HydrophobicContact CG-CD2 3.99Å; L553-Y588 HydrophobicContact CG-CE2 4.48Å; I586-Y588 PolarHBondContact O-N 2.99Å
589	S	25.9	Very low	45.1	Very low	98 Å²	98	92.4 Å²	92.4	69%	0.685	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.7	-29.5	167.3	59.2	0	0	0	0	112.6	L587 R591	L587-S589 VanDerWaalsContact C-N 3.29Å; L587-S589 PolarHBondContact O-N 3.44Å; S589-R591 PolarHBondContact O-N 3.34Å
590	I	35.4	Very low	44.7	Very low	96 Å²	96	98.5 Å²	98.5	49%	0.492	49%	0.487	S	S	.	.			trans	-66.4	124	-172.1	-27.2	-176.4	0	0	0	110.4	D592	I590-D592 VanDerWaalsContact C-N 3.28Å; I590-D592 HydrophobicContact CG2-CB 4.17Å; I590-D592 WeakPolarHBondContact CG2-O 3.4Å
591	R	38.5	Very low	44.6	Very low	207 Å²	207	96.3 Å²	96.3	78%	0.781	47%	0.471	S	S	*	.	S	Bend	trans	-94	7.2	-175.2	-145.9	-170	-142.9	154.5	15.9	113.4	S589	S589-R591 PolarHBondContact O-N 3.34Å
592	D	45.7	Very low	44.8	Very low	78 Å²	78	90.5 Å²	90.5	42%	0.417	45%	0.449	S	S	.	.	S	Bend	trans	-155.6	111.8	-141.8	-72.5	-59.1	0	0	0	103.3	I590 S594 P603	I590-D592 VanDerWaalsContact C-N 3.28Å; I590-D592 HydrophobicContact CG2-CB 4.17Å; I590-D592 WeakPolarHBondContact CG2-O 3.4Å; D592-S594 PolarHBondContact O-N 3.24Å; D592-P603 HydrophobicContact CB-CB 3.63Å; D592-P603 HydrophobicContact CB-CG 3.64Å
593	Y	50.7	Low	45.1	Very low	112 Å²	112	92 Å²	92	44%	0.439	46%	0.464	S	S	.	.	B	Isolated β-bridge	trans	-72.3	105.8	-175	-66.4	-88.3	0	0	0	107.8	F604 Y607	Y593-F604 PolarHBondContact N-O 2.93Å; Y593-F604 VanDerWaalsContact N-O 3.11Å; Y593-F604 WeakPolarHBondContact O-CB 3.4Å; Y593-F604 WeakPolarHBondContact O-CD2 3.43Å; Y593-F604 PolarHBondContact O-N 3.22Å; Y593-Y607 HydrophobicContact CD1-CD2 4.5Å; Y593-Y607 HydrophobicContact CE1-CD2 4.04Å
594	S	54.1	Low	45.9	Very low	45 Å²	45	90 Å²	90	32%	0.315	46%	0.455	S	S	.	.			trans	-112.6	128.1	-169.6	59.4	0	0	0	0	112.8	D592 H596 S602	D592-S594 PolarHBondContact O-N 3.24Å; S594-H596 PolarHBondContact O-N 2.91Å; S594-S602 WeakPolarHBondContact CA-OG 3.21Å
595	C	56.7	Low	45.9	Very low	12 Å²	12	89.2 Å²	89.2	8%	0.081	47%	0.467	C	S	.	.			trans	-69.4	127.8	169.2	-171.9	0	0	0	0	110.8	L597 C598 S602 F604 H613 M614 H618	C595-L597 PolarHBondContact SG-N 3.06Å; C595-C598 HydrophobicContact CB-CB 4.05Å; C595-C598 PolarHBondContact SG-N 3.27Å; C595-S602 PolarHBondContact N-OG 3.11Å; C595-F604 HydrophobicContact CB-CE2 4.44Å; C595-H613 VanDerWaalsContact CB-NE2 3.31Å; C595-H613 WeakPolarHBondContact CB-NE2 3.38Å; C595-H613 PolarHBondContact SG-NE2 2.89Å; C595-M614 HydrophobicContact CB-CE 4.15Å; C595-M614 WeakPolarHBondContact SG-CE 3.45Å; C595-H618 PolarHBondContact SG-NE2 3.5Å
596	H	56	Low	46.8	Very low	114 Å²	114	90.8 Å²	90.8	53%	0.528	48%	0.475	S	S	.	.	S	Bend	trans	-84.3	-13.3	174.3	54.9	-81	0	0	0	112.7	S594	S594-H596 PolarHBondContact O-N 2.91Å
597	L	57.9	Low	47.8	Very low	93 Å²	93	92.8 Å²	92.8	49%	0.487	48%	0.479	S	S	.	.	S	Bend	trans	-103.1	-3.2	-180	-62	162.3	0	0	0	113.1	C595 H618	C595-L597 PolarHBondContact SG-N 3.06Å; L597-H618 WeakPolarHBondContact CB-CE1 3.46Å; L597-H618 WeakPolarHBondContact CB-ND1 3.41Å; L597-H618 HydrophobicContact CD1-CB 3.87Å; L597-H618 PolarHBondContact O-CE1 2.87Å
598	C	56.5	Low	49.3	Very low	28 Å²	28	94.2 Å²	94.2	19%	0.189	48%	0.483	C	S	.	.			trans	-136.4	103.8	178.6	-101.5	0	0	0	0	111.5	C595 H600 L601 H618	C595-C598 HydrophobicContact CB-CB 4.05Å; C595-C598 PolarHBondContact SG-N 3.27Å; C598-H600 PolarHBondContact O-N 3.33Å; C598-H600 VanDerWaalsContact O-N 3.15Å; C598-L601 HydrophobicContact CB-CB 4.38Å; C598-H618 WeakPolarHBondContact CB-NE2 3.46Å; C598-H618 PolarHBondContact SG-CE1 3.32Å; C598-H618 PolarHBondContact SG-NE2 2.89Å
599	I	51.9	Low	50.7	Low	162 Å²	162	91.2 Å²	91.2	83%	0.831	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-24.2	179.9	-62.6	170.6	0	0	0	112.6
600	H	44.4	Very low	52.5	Low	172 Å²	172	88.5 Å²	88.5	80%	0.796	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	1	-166.4	-62.6	-71.5	0	0	0	116.6	C598	C598-H600 PolarHBondContact O-N 3.33Å; C598-H600 VanDerWaalsContact O-N 3.15Å
601	L	48.9	Very low	53.8	Low	76 Å²	76	84.9 Å²	84.9	40%	0.398	44%	0.436	S	S	.	.	S	Bend	trans	-128.4	38	-167.9	-84.9	166.3	0	0	0	113.7	C598 F604 F617	C598-L601 HydrophobicContact CB-CB 4.38Å; L601-F604 HydrophobicContact CB-CZ 4.31Å; L601-F604 WeakPolarHBondContact O-CE2 3.31Å; L601-F604 WeakPolarHBondContact O-CZ 3.49Å; L601-F617 HydrophobicContact CD1-CD1 4.25Å; L601-F617 HydrophobicContact CD1-CE1 3.94Å; L601-F617 HydrophobicContact CD1-CZ 4.15Å
602	S	50.4	Low	55	Low	46 Å²	46	78.9 Å²	78.9	32%	0.322	42%	0.419	S	S	.	.			trans	-152.4	148.8	179.1	-75.7	0	0	0	0	111.9	S594 C595 F604	S594-S602 WeakPolarHBondContact CA-OG 3.21Å; C595-S602 PolarHBondContact N-OG 3.11Å; S602-F604 WeakPolarHBondContact OG-CE2 3.36Å
603	P	52.5	Low	55.9	Low	85 Å²	85	75.4 Å²	75.4	55%	0.552	40%	0.401	S	S	*	.			cis	-75.8	143.2	15.1	-23.6	37.7	0	0	0	117.8	D592	D592-P603 HydrophobicContact CB-CB 3.63Å; D592-P603 HydrophobicContact CB-CG 3.64Å
604	F	54.6	Low	56.6	Low	35 Å²	35	70.6 Å²	70.6	15%	0.154	38%	0.382	C	S	.	.	B	Isolated β-bridge	trans	-83.6	138.5	153.8	-61	-75	0	0	0	110.3	Y593 C595 L601 S602 D609 Y610 H613	Y593-F604 PolarHBondContact N-O 2.93Å; Y593-F604 VanDerWaalsContact N-O 3.11Å; Y593-F604 WeakPolarHBondContact O-CB 3.4Å; Y593-F604 WeakPolarHBondContact O-CD2 3.43Å; Y593-F604 PolarHBondContact O-N 3.22Å; C595-F604 HydrophobicContact CB-CE2 4.44Å; L601-F604 HydrophobicContact CB-CZ 4.31Å; L601-F604 WeakPolarHBondContact O-CE2 3.31Å; L601-F604 WeakPolarHBondContact O-CZ 3.49Å; S602-F604 WeakPolarHBondContact OG-CE2 3.36Å; F604-D609 HydrophobicContact CB-CB 4.1Å; F604-D609 HydrophobicContact CD1-CB 3.84Å; F604-D609 HydrophobicContact CG-CB 4.31Å; F604-Y610 HydrophobicContact CD2-CD2 4.03Å; F604-H613 HydrophobicContact CD2-CB 4.48Å; F604-H613 HydrophobicContact CE1-CB 3.83Å; F604-H613 HydrophobicContact CE2-CB 3.61Å; F604-H613 AromaticContact CE2-CD2 3.46Å; F604-H613 VanDerWaalsContact CE2-CD2 3.46Å; F604-H613 WeakPolarHBondContact CE2-CD2 3.44Å; F604-H613 AromaticContact CE2-CG 3.48Å; F604-H613 VanDerWaalsContact CE2-CG 3.48Å; F604-H613 HydrophobicContact CZ-CB 3.24Å; F604-H613 AromaticContact CZ-CD2 3.64Å; F604-H613 AromaticContact CZ-CG 3.17Å; F604-H613 AromaticContact CZ-ND1 3.56Å
605	G	47.4	Very low	56.8	Low	67 Å²	67	71.5 Å²	71.5	69%	0.691	38%	0.381	S	S	*	.	S	Bend	trans	-85	-20.2	-177.2	0	0	0	0	0	114.7
606	L	57.8	Low	56.9	Low	97 Å²	97	77.5 Å²	77.5	51%	0.508	41%	0.412	S	S	.	.	S	Bend	trans	-129.3	157.1	179.8	-62.4	173.3	0	0	0	110.5	E608 D609 Y610	L606-E608 VanDerWaalsContact C-N 3.29Å; L606-D609 WeakPolarHBondContact CB-OD2 3.44Å; L606-D609 PolarHBondContact O-N 3.2Å; L606-Y610 PolarHBondContact O-N 3.28Å
607	Y	57.5	Low	57	Low	107 Å²	107	77.8 Å²	77.8	42%	0.42	41%	0.412	S	S	.	.	H	α-helix	trans	-67.4	-36.1	175.3	175.3	-94.3	0	0	0	110.9	Y593 D609 Y610 A611	Y593-Y607 HydrophobicContact CD1-CD2 4.5Å; Y593-Y607 HydrophobicContact CE1-CD2 4.04Å; Y607-D609 VanDerWaalsContact C-N 3.32Å; Y607-D609 PolarHBondContact O-N 2.8Å; Y607-Y610 PolarHBondContact O-N 3.24Å; Y607-A611 HydrophobicContact CE1-CB 4.25Å; Y607-A611 WeakPolarHBondContact O-CB 3.08Å; Y607-A611 PolarHBondContact O-N 3.25Å
608	E	61.9	Low	57.1	Low	117 Å²	117	75.6 Å²	75.6	55%	0.547	40%	0.399	S	S	.	.	H	α-helix	trans	-58.3	-42.3	176	-66.3	83.6	169.2	0	0	111.7	L606 A611 N612	L606-E608 VanDerWaalsContact C-N 3.29Å; E608-A611 PolarHBondContact O-N 3.1Å; E608-N612 WeakPolarHBondContact O-CB 3.46Å; E608-N612 PolarHBondContact O-N 3.06Å; E608-N612 PolarHBondContact O-ND2 3.4Å; E608-N612 VanDerWaalsContact O-ND2 3.08Å
609	D	61.2	Low	56.7	Low	69 Å²	69	78.2 Å²	78.2	37%	0.369	42%	0.423	S	S	.	.	H	α-helix	trans	-70	-38.6	178.4	-59.1	-38.9	0	0	0	112	F604 L606 Y607 H613	F604-D609 HydrophobicContact CB-CB 4.1Å; F604-D609 HydrophobicContact CD1-CB 3.84Å; F604-D609 HydrophobicContact CG-CB 4.31Å; L606-D609 WeakPolarHBondContact CB-OD2 3.44Å; L606-D609 PolarHBondContact O-N 3.2Å; Y607-D609 VanDerWaalsContact C-N 3.32Å; Y607-D609 PolarHBondContact O-N 2.8Å; D609-H613 PolarHBondContact O-N 3.02Å
610	Y	62.7	Low	56.3	Low	40 Å²	40	73.9 Å²	73.9	16%	0.157	40%	0.401	C	S	.	.	H	α-helix	trans	-64.7	-43.8	173.5	173.2	-92.9	0	0	0	112.1	F604 L606 Y607 H613 M614	F604-Y610 HydrophobicContact CD2-CD2 4.03Å; L606-Y610 PolarHBondContact O-N 3.28Å; Y607-Y610 PolarHBondContact O-N 3.24Å; Y610-H613 PolarHBondContact O-N 3.4Å; Y610-M614 HydrophobicContact CD1-CG 4.09Å; Y610-M614 HydrophobicContact CE1-CG 3.64Å; Y610-M614 HydrophobicContact CE1-SD 4.13Å; Y610-M614 HydrophobicContact CE2-CE 4.28Å; Y610-M614 HydrophobicContact CE2-CG 4.3Å; Y610-M614 HydrophobicContact CE2-SD 4.3Å; Y610-M614 VanDerWaalsContact O-CG 3.31Å; Y610-M614 WeakPolarHBondContact O-CG 3.39Å; Y610-M614 PolarHBondContact O-N 3.39Å; Y610-M614 PolarHBondContact OH-SD 3.19Å; Y610-M614 VanDerWaalsContact OH-SD 3.4Å
611	A	62.1	Low	55.8	Low	21 Å²	21	75.2 Å²	75.2	17%	0.174	40%	0.399	C	S	.	.	H	α-helix	trans	-62.4	-47.3	176.8	0	0	0	0	0	111.1	Y607 E608 H613 M614 E615	Y607-A611 HydrophobicContact CE1-CB 4.25Å; Y607-A611 WeakPolarHBondContact O-CB 3.08Å; Y607-A611 PolarHBondContact O-N 3.25Å; E608-A611 PolarHBondContact O-N 3.1Å; A611-H613 VanDerWaalsContact C-N 3.25Å; A611-H613 PolarHBondContact O-N 3.18Å; A611-M614 PolarHBondContact O-N 3.09Å; A611-M614 VanDerWaalsContact O-N 3.16Å; A611-E615 PolarHBondContact O-N 3.43Å
612	N	63.2	Low	55.3	Low	81 Å²	81	75.3 Å²	75.3	43%	0.433	40%	0.396	S	S	.	.	H	α-helix	trans	-56.4	-39.1	173.4	-70	-29	0	0	0	111.7	E608 L616	E608-N612 WeakPolarHBondContact O-CB 3.46Å; E608-N612 PolarHBondContact O-N 3.06Å; E608-N612 PolarHBondContact O-ND2 3.4Å; E608-N612 VanDerWaalsContact O-ND2 3.08Å; N612-L616 WeakPolarHBondContact O-CB 3.22Å; N612-L616 WeakPolarHBondContact O-CD1 3.33Å; N612-L616 WeakPolarHBondContact O-CG 3.07Å; N612-L616 PolarHBondContact O-N 3.5Å
613	H	66	Low	55	Low	5 Å²	5	82 Å²	82	2%	0.023	42%	0.415	C	S	.	.	H	α-helix	trans	-70.2	-40.1	176.7	174.5	76.5	0	0	0	113.4	C595 F604 D609 Y610 A611 L616 F617 H618	C595-H613 VanDerWaalsContact CB-NE2 3.31Å; C595-H613 WeakPolarHBondContact CB-NE2 3.38Å; C595-H613 PolarHBondContact SG-NE2 2.89Å; F604-H613 HydrophobicContact CD2-CB 4.48Å; F604-H613 HydrophobicContact CE1-CB 3.83Å; F604-H613 HydrophobicContact CE2-CB 3.61Å; F604-H613 AromaticContact CE2-CD2 3.46Å; F604-H613 VanDerWaalsContact CE2-CD2 3.46Å; F604-H613 WeakPolarHBondContact CE2-CD2 3.44Å; F604-H613 AromaticContact CE2-CG 3.48Å; F604-H613 VanDerWaalsContact CE2-CG 3.48Å; F604-H613 HydrophobicContact CZ-CB 3.24Å; F604-H613 AromaticContact CZ-CD2 3.64Å; F604-H613 AromaticContact CZ-CG 3.17Å; F604-H613 AromaticContact CZ-ND1 3.56Å; D609-H613 PolarHBondContact O-N 3.02Å; Y610-H613 PolarHBondContact O-N 3.4Å; A611-H613 VanDerWaalsContact C-N 3.25Å; A611-H613 PolarHBondContact O-N 3.18Å; H613-L616 PolarHBondContact O-N 3.46Å; H613-F617 AromaticContact CE1-CD2 3.76Å; H613-F617 AromaticContact CE1-CG 3.65Å; H613-F617 AromaticContact ND1-CD2 3.13Å; H613-F617 WeakPolarHBondContact ND1-CD2 3.26Å; H613-F617 AromaticContact ND1-CE2 3.75Å; H613-F617 AromaticContact ND1-CG 3.52Å; H613-F617 WeakPolarHBondContact O-CB 3.29Å; H613-F617 PolarHBondContact O-N 2.98Å; H613-H618 AromaticContact CD2-CD2 3.84Å; H613-H618 AromaticContact CD2-NE2 3.4Å; H613-H618 PolarHBondContact CD2-NE2 2.94Å; H613-H618 AromaticContact CE1-NE2 2.69Å; H613-H618 PolarHBondContact CE1-NE2 2.78Å; H613-H618 AromaticContact ND1-NE2 3.79Å; H613-H618 AromaticContact NE2-CD2 3.47Å; H613-H618 PolarHBondContact NE2-CD2 3.08Å; H613-H618 AromaticContact NE2-NE2 2.31Å; H613-H618 PolarHBondContact NE2-NE2 2.92Å
614	M	64.6	Low	54.9	Low	11 Å²	11	82.2 Å²	82.2	5%	0.054	40%	0.404	C	S	.	.	H	α-helix	trans	-59.8	-45.7	173.2	-67.1	-82.2	95.4	0	0	111.3	C595 Y610 A611 H618 L620	C595-M614 HydrophobicContact CB-CE 4.15Å; C595-M614 WeakPolarHBondContact SG-CE 3.45Å; Y610-M614 HydrophobicContact CD1-CG 4.09Å; Y610-M614 HydrophobicContact CE1-CG 3.64Å; Y610-M614 HydrophobicContact CE1-SD 4.13Å; Y610-M614 HydrophobicContact CE2-CE 4.28Å; Y610-M614 HydrophobicContact CE2-CG 4.3Å; Y610-M614 HydrophobicContact CE2-SD 4.3Å; Y610-M614 VanDerWaalsContact O-CG 3.31Å; Y610-M614 WeakPolarHBondContact O-CG 3.39Å; Y610-M614 PolarHBondContact O-N 3.39Å; Y610-M614 PolarHBondContact OH-SD 3.19Å; Y610-M614 VanDerWaalsContact OH-SD 3.4Å; A611-M614 PolarHBondContact O-N 3.09Å; A611-M614 VanDerWaalsContact O-N 3.16Å; M614-H618 HydrophobicContact CE-CB 4.44Å; M614-H618 PolarHBondContact O-N 2.99Å; M614-L620 HydrophobicContact CB-CD1 4.46Å; M614-L620 HydrophobicContact SD-CD1 3.86Å
615	E	58	Low	55	Low	64 Å²	64	83.6 Å²	83.6	30%	0.299	41%	0.411	S	S	.	.	H	α-helix	trans	-68.1	-38	178.4	-70.4	178.2	159.2	0	0	112.2	A611 F622 R624	A611-E615 PolarHBondContact O-N 3.43Å; E615-F622 HydrophobicContact CG-CD2 4.38Å; E615-R624 IonicContact OE1-NH2 3.07Å
616	L	60.2	Low	55.2	Low	137 Å²	137	80.4 Å²	80.4	72%	0.717	38%	0.378	S	S	*	.	H	α-helix	trans	-86.4	-32.9	-175.6	-72.1	170.7	0	0	0	115.8	N612 H613	N612-L616 WeakPolarHBondContact O-CB 3.22Å; N612-L616 WeakPolarHBondContact O-CD1 3.33Å; N612-L616 WeakPolarHBondContact O-CG 3.07Å; N612-L616 PolarHBondContact O-N 3.5Å; H613-L616 PolarHBondContact O-N 3.46Å
617	F	56.5	Low	54.8	Low	121 Å²	121	80.4 Å²	80.4	53%	0.531	38%	0.384	S	S	.	.	H	α-helix	trans	-112.5	-20.8	-170.7	-70.6	-96.2	0	0	0	114.3	L601 H613	L601-F617 HydrophobicContact CD1-CD1 4.25Å; L601-F617 HydrophobicContact CD1-CE1 3.94Å; L601-F617 HydrophobicContact CD1-CZ 4.15Å; H613-F617 AromaticContact CE1-CD2 3.76Å; H613-F617 AromaticContact CE1-CG 3.65Å; H613-F617 AromaticContact ND1-CD2 3.13Å; H613-F617 WeakPolarHBondContact ND1-CD2 3.26Å; H613-F617 AromaticContact ND1-CE2 3.75Å; H613-F617 AromaticContact ND1-CG 3.52Å; H613-F617 WeakPolarHBondContact O-CB 3.29Å; H613-F617 PolarHBondContact O-N 2.98Å
618	H	60.7	Low	54.8	Low	47 Å²	47	79 Å²	79	22%	0.218	39%	0.39	C	S	.	.	S	Bend	trans	-118.2	8.7	-170.9	-65	-63	0	0	0	114.3	C595 L597 C598 H613 M614 L620	C595-H618 PolarHBondContact SG-NE2 3.5Å; L597-H618 WeakPolarHBondContact CB-CE1 3.46Å; L597-H618 WeakPolarHBondContact CB-ND1 3.41Å; L597-H618 HydrophobicContact CD1-CB 3.87Å; L597-H618 PolarHBondContact O-CE1 2.87Å; C598-H618 WeakPolarHBondContact CB-NE2 3.46Å; C598-H618 PolarHBondContact SG-CE1 3.32Å; C598-H618 PolarHBondContact SG-NE2 2.89Å; H613-H618 AromaticContact CD2-CD2 3.84Å; H613-H618 AromaticContact CD2-NE2 3.4Å; H613-H618 PolarHBondContact CD2-NE2 2.94Å; H613-H618 AromaticContact CE1-NE2 2.69Å; H613-H618 PolarHBondContact CE1-NE2 2.78Å; H613-H618 AromaticContact ND1-NE2 3.79Å; H613-H618 AromaticContact NE2-CD2 3.47Å; H613-H618 PolarHBondContact NE2-CD2 3.08Å; H613-H618 AromaticContact NE2-NE2 2.31Å; H613-H618 PolarHBondContact NE2-NE2 2.92Å; M614-H618 HydrophobicContact CE-CB 4.44Å; M614-H618 PolarHBondContact O-N 2.99Å; H618-L620 PolarHBondContact O-N 3.26Å
619	A	49.3	Very low	55.4	Low	83 Å²	83	76 Å²	76	69%	0.686	38%	0.381	S	S	*	.			trans	51.9	20.8	176.3	0	0	0	0	0	115	R621	A619-R621 PolarHBondContact O-N 3.5Å
620	L	42.4	Very low	55.5	Low	71 Å²	71	79.5 Å²	79.5	37%	0.372	39%	0.393	S	S	.	.			trans	-70.7	74.4	172.9	-76.2	173.2	0	0	0	109.4	M614 H618 F622	M614-L620 HydrophobicContact CB-CD1 4.46Å; M614-L620 HydrophobicContact SD-CD1 3.86Å; H618-L620 PolarHBondContact O-N 3.26Å; L620-F622 PolarHBondContact O-N 3.24Å
621	R	33.9	Very low	55.9	Low	199 Å²	199	80.3 Å²	80.3	75%	0.751	40%	0.403	S	S	*	.			trans	-64.1	97.3	172.9	-75.8	-179	169.9	-174.2	-3.2	109.2	A619 R623	A619-R621 PolarHBondContact O-N 3.5Å; R621-R623 VanDerWaalsContact C-N 3.32Å; R621-R623 PolarHBondContact O-N 2.93Å
622	F	39.4	Very low	56	Low	79 Å²	79	83.2 Å²	83.2	35%	0.346	42%	0.415	S	S	.	.			trans	-55.6	104.7	144.6	-69.2	-71.3	0	0	0	106.7	A560 E615 L620 R624	A560-F622 HydrophobicContact CB-CZ 4.31Å; E615-F622 HydrophobicContact CG-CD2 4.38Å; L620-F622 PolarHBondContact O-N 3.24Å; F622-R624 VanDerWaalsContact C-N 3.26Å; F622-R624 HydrophobicContact CB-CG 4.49Å; F622-R624 PolarHBondContact O-N 2.81Å
623	R	42.7	Very low	55.9	Low	187 Å²	187	81.3 Å²	81.3	71%	0.706	40%	0.403	S	S	*	.			trans	-64.2	87.9	176.1	-77.4	-162	-172.7	-149.9	8.2	109.4	R621 Q625	R621-R623 VanDerWaalsContact C-N 3.32Å; R621-R623 PolarHBondContact O-N 2.93Å; R623-Q625 PolarHBondContact O-N 3.39Å
624	R	50.5	Low	55.4	Low	89 Å²	89	87.1 Å²	87.1	34%	0.336	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	61.8	171.2	-64.9	-179.3	-172.3	-79	-1.1	108.4	E615 F622 F633 L639	E615-R624 IonicContact OE1-NH2 3.07Å; F622-R624 VanDerWaalsContact C-N 3.26Å; F622-R624 HydrophobicContact CB-CG 4.49Å; F622-R624 PolarHBondContact O-N 2.81Å; R624-F633 HydrophobicContact CB-CB 4.41Å; R624-F633 WeakPolarHBondContact O-CD2 3.47Å; R624-F633 PolarHBondContact O-N 3.32Å; R624-F633 VanDerWaalsContact O-N 3.09Å; R624-L639 HydrophobicContact CB-CD2 4.02Å
625	Q	56.2	Low	54.9	Low	63 Å²	63	89.5 Å²	89.5	29%	0.294	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	142.3	-177.4	-150.4	175.1	5.7	0	0	109.6	R623 P627 F630 T631	R623-Q625 PolarHBondContact O-N 3.39Å; Q625-P627 WeakPolarHBondContact O-CD 3.47Å; Q625-F630 HydrophobicContact CG-CB 4.46Å; Q625-F630 VanDerWaalsContact CG-O 3.23Å; Q625-F630 WeakPolarHBondContact CG-O 3.45Å; Q625-F630 PolarHBondContact NE2-O 3.15Å; Q625-T631 CarbonylContact C-O 3.12Å; Q625-T631 VanDerWaalsContact CA-O 3.31Å; Q625-T631 WeakPolarHBondContact CA-O 3.47Å
626	C	52	Low	54.6	Low	1 Å²	1	87.5 Å²	87.5	1%	0.007	45%	0.449	C	S	.	.			trans	-68.4	124.9	174.7	-178.6	0	0	0	0	110.7	S628 F630 T631 F633 L639 H642 H647	C626-S628 PolarHBondContact O-N 3.22Å; C626-S628 PolarHBondContact SG-N 3.26Å; C626-S628 VanDerWaalsContact SG-N 3.4Å; C626-F630 VanDerWaalsContact O-CA 3.31Å; C626-F630 WeakPolarHBondContact O-CA 3.35Å; C626-F630 PolarHBondContact O-N 3.15Å; C626-T631 PolarHBondContact N-O 2.77Å; C626-F633 HydrophobicContact CB-CE2 4.12Å; C626-L639 HydrophobicContact CB-CD1 4.22Å; C626-H642 PolarHBondContact SG-NE2 3.14Å; C626-H647 PolarHBondContact SG-CD2 3.01Å; C626-H647 PolarHBondContact SG-NE2 3.43Å
627	P	49.5	Very low	54.3	Low	96 Å²	96	88.2 Å²	88.2	62%	0.623	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-11.5	177.4	-23.5	34.7	0	0	0	115.4	Q625	Q625-P627 WeakPolarHBondContact O-CD 3.47Å
628	S	57.1	Low	54.5	Low	79 Å²	79	84.9 Å²	84.9	55%	0.552	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.5	-10.1	-170.4	-56.1	0	0	0	0	115	C626 H647	C626-S628 PolarHBondContact O-N 3.22Å; C626-S628 PolarHBondContact SG-N 3.26Å; C626-S628 VanDerWaalsContact SG-N 3.4Å; S628-H647 VanDerWaalsContact CB-CE1 3.41Å; S628-H647 WeakPolarHBondContact CB-CE1 3.39Å; S628-H647 WeakPolarHBondContact CB-ND1 3.43Å
629	C	75.7	Confident	54.6	Low	52 Å²	52	84 Å²	84	35%	0.351	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.9	10.8	170.1	69.7	0	0	0	0	114.2	T631 H642 H647	C629-T631 PolarHBondContact O-N 3.1Å; C629-T631 PolarHBondContact SG-OG1 3.09Å; C629-H642 PolarHBondContact SG-CE1 3.14Å; C629-H642 PolarHBondContact SG-NE2 2.83Å; C629-H647 PolarHBondContact SG-NE2 3.35Å
630	F	63.1	Low	54.5	Low	143 Å²	143	83.6 Å²	83.6	63%	0.627	42%	0.421	S	S	*	.			trans	58.1	18.4	172.9	-59.4	-77.5	0	0	0	116.5	Q625 C626	Q625-F630 HydrophobicContact CG-CB 4.46Å; Q625-F630 VanDerWaalsContact CG-O 3.23Å; Q625-F630 WeakPolarHBondContact CG-O 3.45Å; Q625-F630 PolarHBondContact NE2-O 3.15Å; C626-F630 VanDerWaalsContact O-CA 3.31Å; C626-F630 WeakPolarHBondContact O-CA 3.35Å; C626-F630 PolarHBondContact O-N 3.15Å
631	T	70.8	Confident	55.3	Low	58 Å²	58	85.6 Å²	85.6	36%	0.356	42%	0.424	S	S	.	.			trans	-73.2	134.9	173.1	46.3	0	0	0	0	111.8	Q625 C626 C629 F633 H642	Q625-T631 CarbonylContact C-O 3.12Å; Q625-T631 VanDerWaalsContact CA-O 3.31Å; Q625-T631 WeakPolarHBondContact CA-O 3.47Å; C626-T631 PolarHBondContact N-O 2.77Å; C629-T631 PolarHBondContact O-N 3.1Å; C629-T631 PolarHBondContact SG-OG1 3.09Å; T631-F633 WeakPolarHBondContact O-CD2 3.45Å; T631-F633 VanDerWaalsContact O-CE2 3.3Å; T631-F633 WeakPolarHBondContact O-CE2 3.29Å; T631-F633 WeakPolarHBondContact OG1-CE2 3.41Å; T631-F633 WeakPolarHBondContact OG1-CZ 3.25Å; T631-H642 PolarHBondContact OG1-NE2 3.41Å
632	D	64.1	Low	56.8	Low	81 Å²	81	77.4 Å²	77.4	43%	0.433	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	133.8	178.1	-89.1	-25.6	0	0	0	111.8
633	F	61	Low	57.5	Low	42 Å²	42	76.1 Å²	76.1	18%	0.184	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	142.5	174.9	-65.5	-84.2	0	0	0	112.8	R624 C626 T631 D635 E638 L639 H642	R624-F633 HydrophobicContact CB-CB 4.41Å; R624-F633 WeakPolarHBondContact O-CD2 3.47Å; R624-F633 PolarHBondContact O-N 3.32Å; R624-F633 VanDerWaalsContact O-N 3.09Å; C626-F633 HydrophobicContact CB-CE2 4.12Å; T631-F633 WeakPolarHBondContact O-CD2 3.45Å; T631-F633 VanDerWaalsContact O-CE2 3.3Å; T631-F633 WeakPolarHBondContact O-CE2 3.29Å; T631-F633 WeakPolarHBondContact OG1-CE2 3.41Å; T631-F633 WeakPolarHBondContact OG1-CZ 3.25Å; F633-D635 VanDerWaalsContact C-N 3.34Å; F633-E638 HydrophobicContact CD1-CB 3.95Å; F633-L639 HydrophobicContact CB-CB 3.97Å; F633-L639 HydrophobicContact CD2-CB 4.02Å; F633-L639 HydrophobicContact CD2-CD1 3.65Å; F633-L639 HydrophobicContact CD2-CG 4.44Å; F633-L639 HydrophobicContact CE2-CD1 4.08Å; F633-L639 HydrophobicContact CG-CB 4.01Å; F633-L639 HydrophobicContact CG-CD1 4.48Å; F633-H642 HydrophobicContact CE1-CB 3.58Å; F633-H642 AromaticContact CE1-CG 3.96Å; F633-H642 HydrophobicContact CE2-CB 4.03Å; F633-H642 AromaticContact CE2-CD2 3.43Å; F633-H642 VanDerWaalsContact CE2-CD2 3.43Å; F633-H642 WeakPolarHBondContact CE2-CD2 3.28Å; F633-H642 AromaticContact CE2-CG 3.78Å; F633-H642 HydrophobicContact CZ-CB 3.32Å; F633-H642 AromaticContact CZ-CD2 3.35Å; F633-H642 WeakPolarHBondContact CZ-CD2 3.2Å; F633-H642 AromaticContact CZ-CG 3.18Å; F633-H642 AromaticContact CZ-ND1 3.87Å
634	T	55.5	Low	58.1	Low	126 Å²	126	69.7 Å²	69.7	77%	0.773	38%	0.377	S	S	*	.	S	Bend	trans	-74.4	-22	178.1	53	0	0	0	0	113.6
635	D	55.1	Low	58.7	Low	61 Å²	61	70.5 Å²	70.5	33%	0.326	39%	0.385	S	S	.	.	S	Bend	trans	-146.5	166.7	175.6	78.2	61.3	0	0	0	112.8	F633 F637 E638 L639	F633-D635 VanDerWaalsContact C-N 3.34Å; D635-F637 VanDerWaalsContact OD1-CA 3.29Å; D635-F637 WeakPolarHBondContact OD1-CA 3.41Å; D635-F637 VanDerWaalsContact OD1-CB 3.27Å; D635-F637 WeakPolarHBondContact OD1-CB 3.47Å; D635-F637 PolarHBondContact OD1-N 3.35Å; D635-E638 PolarHBondContact OD1-N 2.9Å; D635-L639 PolarHBondContact O-N 3.46Å
636	G	51.4	Low	59.3	Low	23 Å²	23	71.1 Å²	71.1	24%	0.237	39%	0.388	C	S	.	.	H	α-helix	trans	-77.1	-18	-176.2	0	0	0	0	0	115.3	S640	G636-S640 WeakPolarHBondContact O-CB 3.47Å; G636-S640 PolarHBondContact O-N 3.01Å; G636-S640 VanDerWaalsContact O-N 3.11Å; G636-S640 PolarHBondContact O-OG 3.4Å
637	F	52.4	Low	59.8	Low	152 Å²	152	73 Å²	73	67%	0.667	40%	0.396	S	S	*	.	H	α-helix	trans	-78.1	-41.1	173.5	178.1	-91.9	0	0	0	110.3	D635 S640 R641	D635-F637 VanDerWaalsContact OD1-CA 3.29Å; D635-F637 WeakPolarHBondContact OD1-CA 3.41Å; D635-F637 VanDerWaalsContact OD1-CB 3.27Å; D635-F637 WeakPolarHBondContact OD1-CB 3.47Å; D635-F637 PolarHBondContact OD1-N 3.35Å; F637-S640 PolarHBondContact O-N 2.91Å; F637-R641 VanDerWaalsContact O-CB 3.25Å; F637-R641 WeakPolarHBondContact O-CB 3.34Å; F637-R641 PolarHBondContact O-N 2.85Å
638	E	60.8	Low	59.7	Low	51 Å²	51	72.8 Å²	72.8	24%	0.238	39%	0.393	C	S	.	.	H	α-helix	trans	-64.8	-43	173.5	-73.4	-62.7	138.7	0	0	112.1	F633 D635 S640 R641 H642	F633-E638 HydrophobicContact CD1-CB 3.95Å; D635-E638 PolarHBondContact OD1-N 2.9Å; E638-S640 PolarHBondContact O-N 3Å; E638-R641 WeakPolarHBondContact O-CB 3.27Å; E638-R641 PolarHBondContact O-N 2.83Å; E638-R641 IonicContact OE1-CZ 2.67Å; E638-R641 IonicContact OE1-NE 2.61Å; E638-R641 PolarHBondContact OE1-NE 2.74Å; E638-R641 IonicContact OE1-NH2 3.26Å; E638-R641 IonicContact OE2-CZ 3.87Å; E638-R641 IonicContact OE2-NE 3.33Å; E638-R641 PolarHBondContact OE2-NE 3.38Å; E638-R641 IonicContact OE2-NH2 3.91Å; E638-R641 PolarHBondContact OE2-NH2 2.89Å; E638-H642 WeakPolarHBondContact O-CB 3.17Å; E638-H642 PolarHBondContact O-N 3.33Å
639	L	63.2	Low	59	Low	29 Å²	29	74.6 Å²	74.6	15%	0.152	39%	0.391	C	S	.	.	H	α-helix	trans	-57.4	-47	169.3	174.6	62.5	0	0	0	111.8	R624 C626 F633 D635 R641 H642 I643	R624-L639 HydrophobicContact CB-CD2 4.02Å; C626-L639 HydrophobicContact CB-CD1 4.22Å; F633-L639 HydrophobicContact CB-CB 3.97Å; F633-L639 HydrophobicContact CD2-CB 4.02Å; F633-L639 HydrophobicContact CD2-CD1 3.65Å; F633-L639 HydrophobicContact CD2-CG 4.44Å; F633-L639 HydrophobicContact CE2-CD1 4.08Å; F633-L639 HydrophobicContact CG-CB 4.01Å; F633-L639 HydrophobicContact CG-CD1 4.48Å; D635-L639 PolarHBondContact O-N 3.46Å; L639-R641 VanDerWaalsContact C-N 3.31Å; L639-R641 PolarHBondContact O-N 3.16Å; L639-H642 PolarHBondContact O-N 3.09Å; L639-I643 HydrophobicContact CD1-CD1 3.74Å; L639-I643 HydrophobicContact CD1-CG1 4.13Å; L639-I643 HydrophobicContact CG-CD1 3.93Å; L639-I643 WeakPolarHBondContact O-CB 3.43Å; L639-I643 WeakPolarHBondContact O-CG1 3.4Å; L639-I643 PolarHBondContact O-N 3.39Å
640	S	47.5	Very low	57.6	Low	74 Å²	74	79.8 Å²	79.8	52%	0.517	40%	0.403	S	S	.	.	H	α-helix	trans	-64	-36.8	178.8	-60.5	0	0	0	0	112.2	G636 F637 E638 A644	G636-S640 WeakPolarHBondContact O-CB 3.47Å; G636-S640 PolarHBondContact O-N 3.01Å; G636-S640 VanDerWaalsContact O-N 3.11Å; G636-S640 PolarHBondContact O-OG 3.4Å; F637-S640 PolarHBondContact O-N 2.91Å; E638-S640 PolarHBondContact O-N 3Å; S640-A644 VanDerWaalsContact O-CB 3.28Å; S640-A644 WeakPolarHBondContact O-CB 3.13Å; S640-A644 PolarHBondContact O-N 2.88Å
641	R	59.4	Low	56.7	Low	112 Å²	112	76.9 Å²	76.9	42%	0.423	40%	0.397	S	S	.	.	H	α-helix	trans	-66.5	-47.3	176.8	179.5	175.1	80.1	80.7	-5.1	110.6	F637 E638 L639 A644 Q645	F637-R641 VanDerWaalsContact O-CB 3.25Å; F637-R641 WeakPolarHBondContact O-CB 3.34Å; F637-R641 PolarHBondContact O-N 2.85Å; E638-R641 WeakPolarHBondContact O-CB 3.27Å; E638-R641 PolarHBondContact O-N 2.83Å; E638-R641 IonicContact OE1-CZ 2.67Å; E638-R641 IonicContact OE1-NE 2.61Å; E638-R641 PolarHBondContact OE1-NE 2.74Å; E638-R641 IonicContact OE1-NH2 3.26Å; E638-R641 IonicContact OE2-CZ 3.87Å; E638-R641 IonicContact OE2-NE 3.33Å; E638-R641 PolarHBondContact OE2-NE 3.38Å; E638-R641 IonicContact OE2-NH2 3.91Å; E638-R641 PolarHBondContact OE2-NH2 2.89Å; L639-R641 VanDerWaalsContact C-N 3.31Å; L639-R641 PolarHBondContact O-N 3.16Å; R641-A644 PolarHBondContact O-N 3.23Å; R641-Q645 HydrophobicContact CG-CG 4.48Å; R641-Q645 WeakPolarHBondContact O-CB 3.36Å; R641-Q645 VanDerWaalsContact O-CG 3.31Å; R641-Q645 WeakPolarHBondContact O-CG 2.94Å; R641-Q645 PolarHBondContact O-N 3.1Å
642	H	65.5	Low	55.1	Low	27 Å²	27	81.9 Å²	81.9	13%	0.125	41%	0.41	C	S	.	.	H	α-helix	trans	-63.6	-46.8	176.8	163.4	71.5	0	0	0	112	C626 C629 T631 F633 E638 L639 A644 Q645 E646 H647	C626-H642 PolarHBondContact SG-NE2 3.14Å; C629-H642 PolarHBondContact SG-CE1 3.14Å; C629-H642 PolarHBondContact SG-NE2 2.83Å; T631-H642 PolarHBondContact OG1-NE2 3.41Å; F633-H642 HydrophobicContact CE1-CB 3.58Å; F633-H642 AromaticContact CE1-CG 3.96Å; F633-H642 HydrophobicContact CE2-CB 4.03Å; F633-H642 AromaticContact CE2-CD2 3.43Å; F633-H642 VanDerWaalsContact CE2-CD2 3.43Å; F633-H642 WeakPolarHBondContact CE2-CD2 3.28Å; F633-H642 AromaticContact CE2-CG 3.78Å; F633-H642 HydrophobicContact CZ-CB 3.32Å; F633-H642 AromaticContact CZ-CD2 3.35Å; F633-H642 WeakPolarHBondContact CZ-CD2 3.2Å; F633-H642 AromaticContact CZ-CG 3.18Å; F633-H642 AromaticContact CZ-ND1 3.87Å; E638-H642 WeakPolarHBondContact O-CB 3.17Å; E638-H642 PolarHBondContact O-N 3.33Å; L639-H642 PolarHBondContact O-N 3.09Å; H642-A644 VanDerWaalsContact C-N 3.27Å; H642-A644 PolarHBondContact O-N 3.24Å; H642-Q645 PolarHBondContact O-N 3.4Å; H642-Q645 VanDerWaalsContact O-N 3.16Å; H642-E646 PolarHBondContact O-N 2.95Å; H642-H647 AromaticContact CE1-CD2 3.94Å; H642-H647 AromaticContact CE1-NE2 3.63Å; H642-H647 AromaticContact NE2-CD2 3.45Å; H642-H647 PolarHBondContact NE2-CD2 3.1Å; H642-H647 AromaticContact NE2-NE2 3.24Å; H642-H647 PolarHBondContact NE2-NE2 3.04Å
643	I	53.6	Low	54.1	Low	53 Å²	53	81.3 Å²	81.3	27%	0.272	41%	0.406	S	S	.	.	I	π-helix	trans	-57	-43.1	174.2	-70.5	170.2	0	0	0	110.5	L639 H647 V648	L639-I643 HydrophobicContact CD1-CD1 3.74Å; L639-I643 HydrophobicContact CD1-CG1 4.13Å; L639-I643 HydrophobicContact CG-CD1 3.93Å; L639-I643 WeakPolarHBondContact O-CB 3.43Å; L639-I643 WeakPolarHBondContact O-CG1 3.4Å; L639-I643 PolarHBondContact O-N 3.39Å; I643-H647 PolarHBondContact O-N 3.43Å; I643-V648 HydrophobicContact CG2-CG2 4.09Å; I643-V648 WeakPolarHBondContact O-CG2 3.35Å; I643-V648 PolarHBondContact O-N 3.12Å
644	A	56.4	Low	53.2	Low	51 Å²	51	86.4 Å²	86.4	42%	0.421	43%	0.429	S	S	.	.	I	π-helix	trans	-65.5	-39	177.6	0	0	0	0	0	113.5	S640 R641 H642 F649	S640-A644 VanDerWaalsContact O-CB 3.28Å; S640-A644 WeakPolarHBondContact O-CB 3.13Å; S640-A644 PolarHBondContact O-N 2.88Å; R641-A644 PolarHBondContact O-N 3.23Å; H642-A644 VanDerWaalsContact C-N 3.27Å; H642-A644 PolarHBondContact O-N 3.24Å; A644-F649 PolarHBondContact O-N 2.96Å
645	Q	63.1	Low	52.5	Low	106 Å²	106	87 Å²	87	50%	0.495	43%	0.426	S	S	.	.	I	π-helix	trans	-85.7	-45.1	-174.7	-69	-168.9	-97.4	0	0	113.9	R641 H642 F649	R641-Q645 HydrophobicContact CG-CG 4.48Å; R641-Q645 WeakPolarHBondContact O-CB 3.36Å; R641-Q645 VanDerWaalsContact O-CG 3.31Å; R641-Q645 WeakPolarHBondContact O-CG 2.94Å; R641-Q645 PolarHBondContact O-N 3.1Å; H642-Q645 PolarHBondContact O-N 3.4Å; H642-Q645 VanDerWaalsContact O-N 3.16Å; Q645-F649 VanDerWaalsContact O-CB 3.32Å; Q645-F649 WeakPolarHBondContact O-CB 3.15Å
646	E	67.9	Low	51.9	Low	77 Å²	77	86.9 Å²	86.9	36%	0.36	43%	0.434	S	S	.	.	I	π-helix	trans	-95.9	-26.6	-174.7	-69	-57.9	148.8	0	0	113.9	H642 R650	H642-E646 PolarHBondContact O-N 2.95Å; E646-R650 VanDerWaalsContact O-CB 3.28Å; E646-R650 WeakPolarHBondContact O-CB 3.23Å; E646-R650 WeakPolarHBondContact O-CD 3.2Å; E646-R650 WeakPolarHBondContact O-CG 3.45Å; E646-R650 IonicContact OE2-CZ 3.27Å; E646-R650 VanDerWaalsContact OE2-CZ 3.27Å; E646-R650 IonicContact OE2-NE 2.93Å; E646-R650 PolarHBondContact OE2-NE 2.95Å; E646-R650 IonicContact OE2-NH2 2.74Å; E646-R650 PolarHBondContact OE2-NH2 3.41Å
647	H	62	Low	51.4	Low	40 Å²	40	91.3 Å²	91.3	19%	0.185	45%	0.452	C	S	.	.	I	π-helix	trans	-107.6	-58.6	-175.6	-64.5	-63.1	0	0	0	111.9	C626 S628 C629 H642 I643 F649 R650 T651	C626-H647 PolarHBondContact SG-CD2 3.01Å; C626-H647 PolarHBondContact SG-NE2 3.43Å; S628-H647 VanDerWaalsContact CB-CE1 3.41Å; S628-H647 WeakPolarHBondContact CB-CE1 3.39Å; S628-H647 WeakPolarHBondContact CB-ND1 3.43Å; C629-H647 PolarHBondContact SG-NE2 3.35Å; H642-H647 AromaticContact CE1-CD2 3.94Å; H642-H647 AromaticContact CE1-NE2 3.63Å; H642-H647 AromaticContact NE2-CD2 3.45Å; H642-H647 PolarHBondContact NE2-CD2 3.1Å; H642-H647 AromaticContact NE2-NE2 3.24Å; H642-H647 PolarHBondContact NE2-NE2 3.04Å; I643-H647 PolarHBondContact O-N 3.43Å; H647-F649 PolarHBondContact O-N 3.15Å; H647-R650 PolarHBondContact O-N 2.96Å; H647-T651 WeakPolarHBondContact O-CB 3.44Å; H647-T651 PolarHBondContact O-N 2.82Å; H647-T651 PolarHBondContact O-OG1 3.21Å
648	V	49.2	Very low	50.4	Low	91 Å²	91	87.2 Å²	87.2	55%	0.552	45%	0.453	S	S	*	.	I	π-helix	trans	-61.7	-43.8	178.9	178.9	0	0	0	0	111.3	I643 W652	I643-V648 HydrophobicContact CG2-CG2 4.09Å; I643-V648 WeakPolarHBondContact O-CG2 3.35Å; I643-V648 PolarHBondContact O-N 3.12Å; V648-W652 WeakPolarHBondContact O-CB 3.48Å; V648-W652 PolarHBondContact O-N 2.73Å
649	F	41.9	Very low	49	Very low	117 Å²	117	92.7 Å²	92.7	51%	0.513	48%	0.478	S	S	.	.	H	α-helix	trans	-70	-38.1	179.7	-152	-99.5	0	0	0	113	A644 Q645 H647 W652 L653	A644-F649 PolarHBondContact O-N 2.96Å; Q645-F649 VanDerWaalsContact O-CB 3.32Å; Q645-F649 WeakPolarHBondContact O-CB 3.15Å; H647-F649 PolarHBondContact O-N 3.15Å; F649-W652 PolarHBondContact O-N 3.47Å; F649-L653 HydrophobicContact CD1-CD1 3.73Å; F649-L653 HydrophobicContact CD1-CG 4.37Å; F649-L653 HydrophobicContact CE1-CD1 3.8Å; F649-L653 HydrophobicContact CE1-CG 4.32Å; F649-L653 WeakPolarHBondContact O-CB 3.44Å; F649-L653 PolarHBondContact O-N 2.97Å
650	R	46.8	Very low	47.4	Very low	161 Å²	161	100.8 Å²	100.8	61%	0.608	52%	0.515	S	S	*	.	H	α-helix	trans	-68.4	-45.1	174.3	-71.1	-171	-166.8	-133.7	4.3	112.2	E646 H647 W652 L653 F654	E646-R650 VanDerWaalsContact O-CB 3.28Å; E646-R650 WeakPolarHBondContact O-CB 3.23Å; E646-R650 WeakPolarHBondContact O-CD 3.2Å; E646-R650 WeakPolarHBondContact O-CG 3.45Å; E646-R650 IonicContact OE2-CZ 3.27Å; E646-R650 VanDerWaalsContact OE2-CZ 3.27Å; E646-R650 IonicContact OE2-NE 2.93Å; E646-R650 PolarHBondContact OE2-NE 2.95Å; E646-R650 IonicContact OE2-NH2 2.74Å; E646-R650 PolarHBondContact OE2-NH2 3.41Å; H647-R650 PolarHBondContact O-N 2.96Å; R650-W652 VanDerWaalsContact C-N 3.28Å; R650-W652 PolarHBondContact O-N 2.88Å; R650-L653 PolarHBondContact O-N 3.17Å; R650-F654 WeakPolarHBondContact O-CB 3.3Å; R650-F654 PolarHBondContact O-N 3Å
651	T	43.8	Very low	46.7	Very low	83 Å²	83	102.1 Å²	102.1	51%	0.509	52%	0.521	S	S	.	.	H	α-helix	trans	-62.3	-37.2	175.3	-58.7	0	0	0	0	111.1	H647 F654 L655	H647-T651 WeakPolarHBondContact O-CB 3.44Å; H647-T651 PolarHBondContact O-N 2.82Å; H647-T651 PolarHBondContact O-OG1 3.21Å; T651-F654 PolarHBondContact O-N 2.89Å; T651-L655 HydrophobicContact CG2-CD1 4Å; T651-L655 HydrophobicContact CG2-CG 4.49Å; T651-L655 WeakPolarHBondContact O-CB 3.2Å; T651-L655 VanDerWaalsContact O-CG 3.25Å; T651-L655 WeakPolarHBondContact O-CG 3.29Å; T651-L655 PolarHBondContact O-N 3.06Å
652	W	36.7	Very low	45.2	Very low	163 Å²	163	103.5 Å²	103.5	62%	0.617	54%	0.542	S	S	*	.	H	α-helix	trans	-67.6	-41.3	174.6	-171.3	74.5	0	0	0	112.6	V648 F649 R650 L655 A656	V648-W652 WeakPolarHBondContact O-CB 3.48Å; V648-W652 PolarHBondContact O-N 2.73Å; F649-W652 PolarHBondContact O-N 3.47Å; R650-W652 VanDerWaalsContact C-N 3.28Å; R650-W652 PolarHBondContact O-N 2.88Å; W652-L655 PolarHBondContact O-N 3.25Å; W652-A656 VanDerWaalsContact O-CB 3.23Å; W652-A656 WeakPolarHBondContact O-CB 3.36Å; W652-A656 PolarHBondContact O-N 3.04Å
653	L	43.4	Very low	43.6	Very low	69 Å²	69	107.1 Å²	107.1	36%	0.361	57%	0.568	S	S	.	*	H	α-helix	trans	-61.7	-42.5	171.1	-84.9	163.9	0	0	0	112.4	F649 R650 L655 A656 N657	F649-L653 HydrophobicContact CD1-CD1 3.73Å; F649-L653 HydrophobicContact CD1-CG 4.37Å; F649-L653 HydrophobicContact CE1-CD1 3.8Å; F649-L653 HydrophobicContact CE1-CG 4.32Å; F649-L653 WeakPolarHBondContact O-CB 3.44Å; F649-L653 PolarHBondContact O-N 2.97Å; R650-L653 PolarHBondContact O-N 3.17Å; L653-L655 VanDerWaalsContact C-N 3.35Å; L653-L655 PolarHBondContact O-N 3.2Å; L653-A656 PolarHBondContact O-N 3.21Å; L653-A656 VanDerWaalsContact O-N 3.16Å; L653-N657 VanDerWaalsContact O-CB 3.28Å; L653-N657 WeakPolarHBondContact O-CB 3.29Å; L653-N657 PolarHBondContact O-N 3.42Å; L653-N657 PolarHBondContact O-OD1 3.45Å
654	F	40.9	Very low	42.4	Very low	149 Å²	149	111 Å²	111	65%	0.654	59%	0.589	S	S	*	*	H	α-helix	trans	-64.5	-40.6	178.8	-149	-83.1	0	0	0	111.4	R650 T651 A656	R650-F654 WeakPolarHBondContact O-CB 3.3Å; R650-F654 PolarHBondContact O-N 3Å; T651-F654 PolarHBondContact O-N 2.89Å; F654-A656 VanDerWaalsContact C-N 3.33Å
655	L	41.8	Very low	41.5	Very low	138 Å²	138	114.6 Å²	114.6	72%	0.723	60%	0.599	S	S	*	*	H	α-helix	trans	-72.3	-22.2	173.7	-70.1	170.2	0	0	0	113.8	T651 W652 L653	T651-L655 HydrophobicContact CG2-CD1 4Å; T651-L655 HydrophobicContact CG2-CG 4.49Å; T651-L655 WeakPolarHBondContact O-CB 3.2Å; T651-L655 VanDerWaalsContact O-CG 3.25Å; T651-L655 WeakPolarHBondContact O-CG 3.29Å; T651-L655 PolarHBondContact O-N 3.06Å; W652-L655 PolarHBondContact O-N 3.25Å; L653-L655 VanDerWaalsContact C-N 3.35Å; L653-L655 PolarHBondContact O-N 3.2Å
656	A	41.3	Very low	40.1	Very low	59 Å²	59	116.8 Å²	116.8	49%	0.488	61%	0.614	S	S	.	*	H	α-helix	trans	-88	-28	177.5	0	0	0	0	0	113.2	W652 L653 F654	W652-A656 VanDerWaalsContact O-CB 3.23Å; W652-A656 WeakPolarHBondContact O-CB 3.36Å; W652-A656 PolarHBondContact O-N 3.04Å; L653-A656 PolarHBondContact O-N 3.21Å; L653-A656 VanDerWaalsContact O-N 3.16Å; F654-A656 VanDerWaalsContact C-N 3.33Å
657	N	42.3	Very low	38.3	Very low	115 Å²	115	121.1 Å²	121.1	62%	0.615	63%	0.634	S	S	*	*	H	α-helix	trans	-91.8	-9.1	-172.8	-70.4	8.5	0	0	0	114.4	L653 E659	L653-N657 VanDerWaalsContact O-CB 3.28Å; L653-N657 WeakPolarHBondContact O-CB 3.29Å; L653-N657 PolarHBondContact O-N 3.42Å; L653-N657 PolarHBondContact O-OD1 3.45Å; N657-E659 PolarHBondContact O-N 2.89Å; N657-E659 VanDerWaalsContact O-N 3.07Å
658	G	30.8	Very low	36.9	Very low	66 Å²	66	124.7 Å²	124.7	68%	0.68	66%	0.658	S	S	*	*			trans	67.7	12.2	151.5	0	0	0	0	0	119.4
659	E	32.1	Very low	35.9	Very low	166 Å²	166	125.7 Å²	125.7	78%	0.776	68%	0.676	S	S	*	*			trans	-95.4	115.4	178.3	-70.9	-173.6	151.1	0	0	112.4	N657 T661	N657-E659 PolarHBondContact O-N 2.89Å; N657-E659 VanDerWaalsContact O-N 3.07Å; E659-T661 PolarHBondContact O-N 3.2Å
660	E	29.5	Very low	35.4	Very low	199 Å²	199	123.5 Å²	123.5	93%	0.93	68%	0.68	S	S	*	*			trans	-73.5	92	-180	-63.9	-175.4	145	0	0	111.4
661	T	32.9	Very low	34.7	Very low	103 Å²	103	121.4 Å²	121.4	63%	0.632	69%	0.69	S	S	*	*			trans	-126.9	112.1	166.8	47.1	0	0	0	0	110.1	E659 P663	E659-T661 PolarHBondContact O-N 3.2Å; T661-P663 WeakPolarHBondContact O-CD 3.23Å
662	T	28.2	Very low	34	Very low	141 Å²	141	120.8 Å²	120.8	87%	0.865	70%	0.7	S	S	*	*			trans	-87.1	110.8	173.7	49.7	0	0	0	0	109.8	N664	T662-N664 PolarHBondContact O-N 3.28Å
663	P	31.2	Very low	33.7	Very low	103 Å²	103	123 Å²	123	67%	0.669	72%	0.715	S	S	*	*			trans	-81	109.4	174.2	-3.4	23.4	0	0	0	108.2	T661 M665	T661-P663 WeakPolarHBondContact O-CD 3.23Å; P663-M665 HydrophobicContact CB-CG 4.17Å; P663-M665 HydrophobicContact CB-SD 4.36Å
664	N	28.8	Very low	33.1	Very low	135 Å²	135	127.2 Å²	127.2	72%	0.722	74%	0.736	S	S	*	*			trans	-66.2	133.9	160.1	-171.7	14.4	0	0	0	108	T662	T662-N664 PolarHBondContact O-N 3.28Å
665	M	36.4	Very low	32.6	Very low	125 Å²	125	125.8 Å²	125.8	62%	0.616	74%	0.74	S	S	*	*			trans	-134.5	36.8	-172.1	-69.3	-63.2	-53.9	0	0	112.6	P663 E667 V668	P663-M665 HydrophobicContact CB-CG 4.17Å; P663-M665 HydrophobicContact CB-SD 4.36Å; M665-E667 PolarHBondContact O-N 2.98Å; M665-V668 HydrophobicContact CE-CG2 4.35Å
666	D	33.4	Very low	32.2	Very low	153 Å²	153	124.2 Å²	124.2	82%	0.818	74%	0.741	S	S	*	*	S	Bend	trans	-73.3	47.1	156.2	-72.9	-38.8	0	0	0	110.9
667	E	30.4	Very low	31.8	Very low	167 Å²	167	126.1 Å²	126.1	78%	0.78	75%	0.751	S	S	*	*			trans	-154.8	162.4	175.9	-126.9	178.3	-179.1	0	0	111.5	M665	M665-E667 PolarHBondContact O-N 2.98Å
668	V	33.8	Very low	31.4	Very low	115 Å²	115	126.9 Å²	126.9	70%	0.697	76%	0.759	S	S	*	*			trans	78.3	50.3	-169.8	-158.8	0	0	0	0	114.7	M665 A670	M665-V668 HydrophobicContact CE-CG2 4.35Å; V668-A670 VanDerWaalsContact C-N 3.28Å
669	A	27.8	Very low	31.5	Very low	113 Å²	113	128.5 Å²	128.5	93%	0.934	76%	0.76	S	S	*	*			trans	-94.1	42.4	151.7	0	0	0	0	0	111.3
670	A	30.5	Very low	31.4	Very low	71 Å²	71	125.9 Å²	125.9	59%	0.587	76%	0.759	S	S	*	*			trans	-152.1	143.2	-178.3	0	0	0	0	0	112	V668	V668-A670 VanDerWaalsContact C-N 3.28Å
671	S	33.8	Very low	31.6	Very low	116 Å²	116	124.4 Å²	124.4	81%	0.811	76%	0.757	S	S	*	*			trans	61	122.3	-171.3	75.9	0	0	0	0	114.4
672	G	29	Very low	31.5	Very low	71 Å²	71	124.2 Å²	124.2	73%	0.732	76%	0.755	S	S	*	*			cis	92.7	86.6	-2.4	0	0	0	0	0	113.5
673	F	30.4	Very low	31.8	Very low	210 Å²	210	125.6 Å²	125.6	92%	0.921	76%	0.758	S	S	*	*			trans	-133.3	130.8	156.3	-109.8	-84.3	0	0	0	110.6
674	L	29.3	Very low	31.9	Very low	156 Å²	156	128.1 Å²	128.1	82%	0.817	76%	0.76	S	S	*	*			trans	-82.9	167.9	-175	-61	163.7	0	0	0	109.6
675	T	30.8	Very low	32	Very low	119 Å²	119	128.7 Å²	128.7	73%	0.73	76%	0.763	S	S	*	*				-171.6	164.2	55.9	41.2	0	0	0	0	112.4
676	S	32.8	Very low	31.8	Very low	106 Å²	106	127.4 Å²	127.4	74%	0.741	77%	0.767	S	S	*	*			trans	66.7	126.5	148.2	56.2	0	0	0	0	119.6
677	S	33.7	Very low	31.7	Very low	99 Å²	99	129.1 Å²	129.1	69%	0.692	77%	0.77	S	S	*	*			cis	-157.4	147.5	-1.3	-61.5	0	0	0	0	113
678	T	32.9	Very low	31.8	Very low	130 Å²	130	129 Å²	129	80%	0.798	77%	0.77	S	S	*	*			trans	46.1	139.8	137	58.4	0	0	0	0	121.8
679	S	33	Very low	31.9	Very low	100 Å²	100	131.9 Å²	131.9	70%	0.699	78%	0.775	S	S	*	*			cis	-172.2	173.7	-0.1	46.2	0	0	0	0	112.2
680	C	31.7	Very low	32	Very low	112 Å²	112	132 Å²	132	76%	0.757	77%	0.769	S	S	*	*			trans	86.5	128.5	165.5	-54.3	0	0	0	0	116.1
681	L	32.3	Very low	32.1	Very low	168 Å²	168	137.2 Å²	137.2	88%	0.88	78%	0.781	S	S	*	*			cis	-144	163.8	-11	-106	170.3	0	0	0	108.8
682	V	31.7	Very low	32	Very low	98 Å²	98	140.1 Å²	140.1	59%	0.594	78%	0.784	S	S	*	*			trans	-107.3	146.9	-172.1	-179.8	0	0	0	0	110.3	E684	V682-E684 HydrophobicContact CG1-CG 3.71Å
683	D	34.3	Very low	32.2	Very low	171 Å²	171	143 Å²	143	91%	0.914	78%	0.782	S	S	*	*			trans	-155.4	144.4	136.5	-95.7	-32.4	0	0	0	108.8
684	E	32.8	Very low	32.4	Very low	155 Å²	155	139.8 Å²	139.8	72%	0.724	77%	0.774	S	S	*	*			trans	-120.7	157.4	-163.8	-61.2	168.4	143.9	0	0	111.7	V682	V682-E684 HydrophobicContact CG1-CG 3.71Å
685	N	32.1	Very low	32.8	Very low	147 Å²	147	139 Å²	139	79%	0.786	77%	0.771	S	S	*	*				163.9	155.4	122.4	-91.6	-70.7	0	0	0	113.7
686	S	32.2	Very low	33.3	Very low	99 Å²	99	138 Å²	138	69%	0.692	77%	0.768	S	S	*	*			trans	51.7	108.3	166.3	52.6	0	0	0	0	116.6
687	E	29.5	Very low	33.7	Very low	188 Å²	188	139.1 Å²	139.1	88%	0.879	77%	0.765	S	S	*	*				54.1	106.9	56.9	-53.1	-168.3	131.9	0	0	114
688	E	34.6	Very low	34.3	Very low	166 Å²	166	138.4 Å²	138.4	78%	0.776	76%	0.76	S	S	*	*				-169.7	159.3	120.3	-115.5	-173.2	-142.5	0	0	112.7
689	Q	35	Very low	34.8	Very low	174 Å²	174	135.4 Å²	135.4	81%	0.813	75%	0.748	S	S	*	*			trans	62.6	89.8	159.4	-65.2	171	43.5	0	0	119.2
690	S	29.5	Very low	35.1	Very low	115 Å²	115	136.6 Å²	136.6	80%	0.804	75%	0.745	S	S	*	*			trans	-98.8	121.8	149.5	56.9	0	0	0	0	110.6
691	E	33.4	Very low	35.7	Very low	181 Å²	181	137.2 Å²	137.2	85%	0.846	74%	0.741	S	S	*	*			trans	-168.8	167.3	158.3	-114.8	168.6	-142.7	0	0	110.9
692	M	31.6	Very low	36.3	Very low	178 Å²	178	133 Å²	133	88%	0.877	73%	0.73	S	S	*	*			trans	63.6	96.8	-169.4	-56	-175	-68.5	0	0	114.3
693	I	32.8	Very low	36.7	Very low	132 Å²	132	132.5 Å²	132.5	68%	0.677	74%	0.736	S	S	*	*			cis	81.4	102.8	36.4	-49	171.1	0	0	0	114.4	D695	I693-D695 PolarHBondContact O-N 3.3Å
694	D	34.7	Very low	36.8	Very low	142 Å²	142	130.7 Å²	130.7	76%	0.759	73%	0.725	S	S	*	*	S	Bend	trans	47.1	-13.3	149.2	-62	-36.9	0	0	0	125.6	S696	D694-S696 PolarHBondContact O-N 3.21Å
695	D	38.4	Very low	37	Very low	139 Å²	139	131.4 Å²	131.4	74%	0.743	73%	0.728	S	S	*	*	H	α-helix	trans	-68	-11.1	-170.7	-92.8	-27.1	0	0	0	116.5	I693 I697	I693-D695 PolarHBondContact O-N 3.3Å; D695-I697 PolarHBondContact O-N 3.45Å
696	S	41.3	Very low	37.2	Very low	98 Å²	98	129.9 Å²	129.9	69%	0.685	73%	0.729	S	S	*	*	H	α-helix	trans	-77.8	-16.4	-172.4	-73.2	0	0	0	0	116	D694	D694-S696 PolarHBondContact O-N 3.21Å
697	I	40.1	Very low	37.4	Very low	129 Å²	129	130.5 Å²	130.5	66%	0.662	73%	0.734	S	S	*	*	H	α-helix	trans	-96.1	-37.8	-176	-65.6	179.5	0	0	0	111.8	D695	D695-I697 PolarHBondContact O-N 3.45Å
698	S	47	Very low	37.7	Very low	84 Å²	84	128.9 Å²	128.9	59%	0.587	73%	0.731	S	S	*	*	H	α-helix	trans	-66.7	-38.8	177.1	-61.6	0	0	0	0	112.8	I700 L701 A702	S698-I700 PolarHBondContact O-N 3.47Å; S698-L701 PolarHBondContact O-N 3.49Å; S698-L701 VanDerWaalsContact O-N 3.13Å; S698-A702 PolarHBondContact O-N 3.2Å; S698-A702 VanDerWaalsContact O-N 3.14Å
699	A	42.4	Very low	37.8	Very low	67 Å²	67	129.2 Å²	129.2	55%	0.554	73%	0.732	S	S	*	*	H	α-helix	trans	-62.5	-24.2	-178.5	0	0	0	0	0	114.2
700	I	40.7	Very low	37.9	Very low	125 Å²	125	125.9 Å²	125.9	64%	0.641	73%	0.726	S	S	*	*	H	α-helix	trans	-84.8	-26.2	179	-62.8	177.9	0	0	0	111.5	S698	S698-I700 PolarHBondContact O-N 3.47Å
701	L	43.3	Very low	38	Very low	126 Å²	126	124.8 Å²	124.8	66%	0.66	72%	0.724	S	S	*	*	H	α-helix	trans	-85.3	-29.6	178.6	-68.3	170.6	0	0	0	112.8	S698 A703	S698-L701 PolarHBondContact O-N 3.49Å; S698-L701 VanDerWaalsContact O-N 3.13Å; L701-A703 VanDerWaalsContact C-N 3.35Å; L701-A703 PolarHBondContact O-N 3.14Å
702	A	45.1	Very low	38	Very low	79 Å²	79	124.7 Å²	124.7	65%	0.653	73%	0.725	S	S	*	*	H	α-helix	trans	-69	-28.8	176.1	0	0	0	0	0	113.7	S698 I704	S698-A702 PolarHBondContact O-N 3.2Å; S698-A702 VanDerWaalsContact O-N 3.14Å; A702-I704 PolarHBondContact O-N 3.31Å
703	A	40.2	Very low	38	Very low	87 Å²	87	123.8 Å²	123.8	72%	0.719	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	12.4	-172.8	0	0	0	0	0	115.6	L701	L701-A703 VanDerWaalsContact C-N 3.35Å; L701-A703 PolarHBondContact O-N 3.14Å
704	I	36.9	Very low	38.1	Very low	133 Å²	133	123.6 Å²	123.6	68%	0.682	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111	-3.8	-171.4	-66.4	177.6	0	0	0	112.5	A702	A702-I704 PolarHBondContact O-N 3.31Å
705	Q	36.9	Very low	38	Very low	170 Å²	170	121.1 Å²	121.1	79%	0.794	73%	0.73	S	S	*	*	S	Bend	trans	-137.7	87.4	-173.3	-64.4	-175.6	-5.2	0	0	114.9
706	S	36.1	Very low	37.5	Very low	115 Å²	115	121.9 Å²	121.9	80%	0.804	73%	0.732	S	S	*	*			trans	171.1	162.3	146.2	41.9	0	0	0	0	112.1
707	S	36.7	Very low	37.4	Very low	113 Å²	113	123 Å²	123	79%	0.79	74%	0.738	S	S	*	*			trans	64.9	118.2	-170.4	70.4	0	0	0	0	113.9
708	N	35.4	Very low	36.9	Very low	153 Å²	153	123.6 Å²	123.6	82%	0.818	74%	0.742	S	S	*	*			cis	59.4	127	14.9	-61	-1.8	0	0	0	114.2
709	E	37	Very low	36.1	Very low	173 Å²	173	126.7 Å²	126.7	81%	0.808	76%	0.757	S	S	*	*			cis	-148.5	-160.6	9	-135.5	-154.8	127.8	0	0	111.9
710	P	36.6	Very low	35.6	Very low	105 Å²	105	128.3 Å²	128.3	68%	0.682	76%	0.764	S	S	*	*			trans	-128.8	-152.2	-130.7	44.6	-23.8	0	0	0	116.3
711	A	32.6	Very low	35	Very low	91 Å²	91	130.2 Å²	130.2	75%	0.752	78%	0.775	S	S	*	*			trans	97.6	135.6	177.7	0	0	0	0	0	115.9
712	M	32.6	Very low	34.4	Very low	179 Å²	179	130 Å²	130	88%	0.882	78%	0.781	S	S	*	*			cis	-150.6	158.5	-3.8	-104.6	-88.7	177.3	0	0	110.6
713	L	32.2	Very low	33.5	Very low	160 Å²	160	132.4 Å²	132.4	84%	0.838	79%	0.788	S	S	*	*			trans	-116.2	159.3	178.5	-68.3	169.5	0	0	0	111
714	P	34.8	Very low	33	Very low	127 Å²	127	135.8 Å²	135.8	83%	0.825	79%	0.793	S	S	*	*				-152.5	171.7	95.4	37.1	-18.6	0	0	0	115
715	A	31.4	Very low	32.6	Very low	91 Å²	91	137.6 Å²	137.6	75%	0.752	80%	0.798	S	S	*	*			cis	-166.5	151.3	-27.8	0	0	0	0	0	109.1
716	I	28.5	Very low	32.2	Very low	154 Å²	154	139.7 Å²	139.7	79%	0.79	80%	0.801	S	S	*	*			trans	-145.3	133.2	173	-53.3	176.4	0	0	0	109.9
717	P	39.2	Very low	32.1	Very low	123 Å²	123	139.5 Å²	139.5	80%	0.799	80%	0.799	S	S	*	*			trans	-93.9	108.2	161.9	32.8	-26.8	0	0	0	110.5
718	N	29.7	Very low	31.7	Very low	141 Å²	141	141.4 Å²	141.4	75%	0.754	80%	0.801	S	S	*	*				71.2	107.9	82.9	-91.1	-17.4	0	0	0	116.6
719	V	30	Very low	31.8	Very low	148 Å²	148	143.2 Å²	143.2	90%	0.897	80%	0.804	S	S	*	*			trans	-144	124	146.3	-179.2	0	0	0	0	107.8
720	S	31.6	Very low	31.6	Very low	102 Å²	102	143 Å²	143	71%	0.713	80%	0.803	S	S	*	*			trans	-91.3	165.8	-170.1	-47.3	0	0	0	0	114.3
721	L	27.6	Very low	31.4	Very low	164 Å²	164	145.5 Å²	145.5	86%	0.859	81%	0.811	S	S	*	*			trans	-122.4	133.2	164.6	-137.4	82.9	0	0	0	108.4
722	P	30.7	Very low	31.2	Very low	122 Å²	122	144.4 Å²	144.4	79%	0.792	81%	0.808	S	S	*	*			trans	-84.1	141.8	-176.3	32.1	-34.5	0	0	0	113.2
723	T	27.6	Very low	31	Very low	129 Å²	129	144.1 Å²	144.1	79%	0.791	81%	0.809	S	S	*	*			trans	-78.2	154.4	165.1	-41	0	0	0	0	109.8
724	L	28.3	Very low	30.8	Very low	159 Å²	159	142.6 Å²	142.6	83%	0.832	81%	0.806	S	S	*	*			trans	-118.8	116.1	168	-102.8	169.5	0	0	0	108.9
725	E	28.2	Very low	30.6	Very low	170 Å²	170	145.5 Å²	145.5	79%	0.794	81%	0.808	S	S	*	*			trans	-86	160	166.9	-65.5	176.5	153.4	0	0	109.7
726	Y	30.1	Very low	30.5	Very low	214 Å²	214	145.5 Å²	145.5	84%	0.839	81%	0.808	S	S	*	*			trans	-143.2	103.9	177.9	-119.5	-82.7	0	0	0	108.6
727	S	32.8	Very low	30.6	Very low	111 Å²	111	144.9 Å²	144.9	78%	0.776	81%	0.811	S	S	*	*			trans	-90.4	139.6	172.5	-54.7	0	0	0	0	109.8
728	N	27.9	Very low	30.4	Very low	153 Å²	153	144.5 Å²	144.5	82%	0.818	81%	0.809	S	S	*	*			trans	-95.4	128.3	170.9	-67.7	-36.9	0	0	0	109.1
729	E	37.4	Very low	30.4	Very low	192 Å²	192	144.3 Å²	144.3	90%	0.897	81%	0.813	S	S	*	*			trans	-132.6	160.4	158.4	-69.7	-165.5	139.4	0	0	109.7
730	Q	33.5	Very low	30.4	Very low	167 Å²	167	141.7 Å²	141.7	78%	0.78	81%	0.807	S	S	*	*			trans	-112.7	172.7	-162.2	-63.5	173.2	-35.6	0	0	112.5
731	N	32.1	Very low	30.6	Very low	159 Å²	159	142 Å²	142	85%	0.85	81%	0.809	S	S	*	*			trans	74.4	143.8	167.8	-43.4	-48	0	0	0	115
732	G	28.8	Very low	30.9	Very low	67 Å²	67	142.9 Å²	142.9	69%	0.691	81%	0.809	S	S	*	*			cis	177.5	-165.5	-5.2	0	0	0	0	0	111.8
733	I	29.5	Very low	30.8	Very low	174 Å²	174	141.3 Å²	141.3	89%	0.892	80%	0.8	S	S	*	*			trans	78.4	153.7	171.5	-53.2	173.9	0	0	0	115.2
734	V	27.3	Very low	31.3	Very low	128 Å²	128	141.6 Å²	141.6	78%	0.776	79%	0.792	S	S	*	*			trans	-139.2	178.4	-153.9	-176	0	0	0	0	110.4
735	Q	29.4	Very low	31.5	Very low	187 Å²	187	142.7 Å²	142.7	87%	0.874	79%	0.79	S	S	*	*			trans	86.4	145.3	170.1	-55.9	-179.8	-6.3	0	0	115.6
736	A	30.7	Very low	31.7	Very low	92 Å²	92	138.4 Å²	138.4	76%	0.76	79%	0.791	S	S	*	*			cis	-154.9	172.8	-12.4	0	0	0	0	0	110.4
737	V	29.8	Very low	31.8	Very low	140 Å²	140	133.5 Å²	133.5	85%	0.848	80%	0.795	S	S	*	*			trans	-144.2	120.5	-175.2	177.4	0	0	0	0	113.6
738	P	34.5	Very low	31.7	Very low	115 Å²	115	132.8 Å²	132.8	75%	0.747	80%	0.796	S	S	*	*				-136.4	-169.2	129.6	36.1	-19.5	0	0	0	110.3
739	T	30.6	Very low	32	Very low	138 Å²	138	130.7 Å²	130.7	85%	0.847	79%	0.791	S	S	*	*			cis	-130.2	-146.5	7.2	60.1	0	0	0	0	110.9
740	A	30.7	Very low	31.6	Very low	92 Å²	92	126.8 Å²	126.8	76%	0.76	78%	0.784	S	S	*	*			trans	-152.5	160.1	-177.9	0	0	0	0	0	114.9
741	S	35.7	Very low	31.4	Very low	110 Å²	110	129.1 Å²	129.1	77%	0.769	79%	0.788	S	S	*	*			trans	-176.2	124.9	155.6	15	0	0	0	0	107.8
742	E	33	Very low	31.1	Very low	182 Å²	182	132.2 Å²	132.2	85%	0.85	79%	0.788	S	S	*	*				70.7	136.2	79.7	-68.4	-139.7	119	0	0	114.5
743	C	28.7	Very low	31.3	Very low	89 Å²	89	136 Å²	136	60%	0.601	80%	0.797	S	S	*	*			cis	-158.5	179.2	3	-143.3	0	0	0	0	114.8
744	H	38.1	Very low	31.2	Very low	134 Å²	134	136.4 Å²	136.4	62%	0.62	80%	0.795	S	S	*	*			trans	90.7	102.5	148.7	-74.7	13.8	0	0	0	124.4
745	K	33.1	Very low	31.3	Very low	182 Å²	182	133.7 Å²	133.7	79%	0.791	79%	0.793	S	S	*	*				63.3	131.6	117.4	-65.1	166.7	-176.6	163.5	0	121.4
746	G	32.4	Very low	31.4	Very low	80 Å²	80	134.3 Å²	134.3	83%	0.825	80%	0.796	S	S	*	*			trans	-179.4	47.9	172.5	0	0	0	0	0	119.3
747	A	32.1	Very low	31.3	Very low	111 Å²	111	138.2 Å²	138.2	92%	0.917	80%	0.799	S	S	*	*			trans	40	141.7	159.5	0	0	0	0	0	123.2
748	A	30.9	Very low	31.3	Very low	97 Å²	97	139.9 Å²	139.9	80%	0.802	80%	0.802	S	S	*	*			trans	-139.8	161.6	165	0	0	0	0	0	110.6
749	P	34.2	Very low	30.9	Very low	109 Å²	109	139 Å²	139	71%	0.708	80%	0.795	S	S	*	*			trans	-111.7	151.2	161.7	36.7	-28.4	0	0	0	112.4
750	S	28.1	Very low	31	Very low	109 Å²	109	139.6 Å²	139.6	76%	0.762	80%	0.798	S	S	*	*			trans	-113.2	157.3	178.8	58.5	0	0	0	0	112.1
751	Y	30.4	Very low	31.2	Very low	216 Å²	216	142.6 Å²	142.6	85%	0.847	80%	0.799	S	S	*	*			trans	-134	148.5	162.5	-27.8	-68.7	0	0	0	108.9
752	R	26.2	Very low	31.1	Very low	225 Å²	225	140.2 Å²	140.2	85%	0.849	79%	0.792	S	S	*	*			trans	-138.8	127.7	-173.1	-175.6	-172.4	-167.6	-179.6	5	108.9
753	T	31.6	Very low	31.2	Very low	145 Å²	145	139.5 Å²	139.5	89%	0.89	79%	0.794	S	S	*	*			trans	-132.9	155	166.2	40.9	0	0	0	0	109.1
754	Q	27.8	Very low	31.4	Very low	184 Å²	184	143.8 Å²	143.8	86%	0.86	81%	0.805	S	S	*	*			trans	-110.6	167.8	-165.3	-66.7	167.1	-56.5	0	0	112.3
755	G	29.7	Very low	31.3	Very low	71 Å²	71	142.9 Å²	142.9	73%	0.732	81%	0.814	S	S	*	*			trans	116.4	125.3	175.1	0	0	0	0	0	112.4
756	E	31.1	Very low	31.3	Very low	200 Å²	200	142.3 Å²	142.3	94%	0.935	81%	0.812	S	S	*	*			cis	-140.6	170.2	-7.4	-71	-178.3	112	0	0	109.8
757	Q	29.6	Very low	31.2	Very low	174 Å²	174	144.2 Å²	144.2	81%	0.813	80%	0.803	S	S	*	*			trans	-82.9	152	-169.7	-66.2	164.8	-79.7	0	0	113.9
758	L	29.9	Very low	31.2	Very low	175 Å²	175	145.2 Å²	145.2	92%	0.916	79%	0.793	S	S	*	*				-151.6	148	127.2	-109.1	165	0	0	0	109.1
759	T	25.8	Very low	31.5	Very low	97 Å²	97	148.1 Å²	148.1	60%	0.595	79%	0.79	S	S	*	*			trans	-108.5	151	-152	42.5	0	0	0	0	115
760	V	32.8	Very low	31.2	Very low	150 Å²	150	153.8 Å²	153.8	91%	0.909	80%	0.799	S	S	*	*			trans	-133	144.7	155.6	-178.1	0	0	0	0	106.3
761	I	33.7	Very low	31.4	Very low	154 Å²	154	155 Å²	155	79%	0.79	81%	0.805	S	S	*	*			trans	-118.5	145.1	-163.7	-61.6	171.4	0	0	0	110.2
762	G	32.9	Very low	31.4	Very low	60 Å²	60	149.6 Å²	149.6	62%	0.619	81%	0.805	S	S	*	*			trans	88.2	133.4	170.6	0	0	0	0	0	114.8
763	D	36.9	Very low	31.8	Very low	167 Å²	167	142 Å²	142	89%	0.893	80%	0.798	S	S	*	*			cis	-150.9	171.4	-13.4	-117.6	-43.9	0	0	0	112.3
764	Q	32	Very low	31.7	Very low	180 Å²	180	143.2 Å²	143.2	84%	0.841	80%	0.799	S	S	*	*			trans	-104	122.7	-170.7	-59.7	180	20.5	0	0	114.5
765	S	35.6	Very low	32	Very low	115 Å²	115	141.8 Å²	141.8	80%	0.804	80%	0.797	S	S	*	*			trans	167.5	149	143.9	41.1	0	0	0	0	107
766	K	33	Very low	32	Very low	170 Å²	170	144.7 Å²	144.7	74%	0.739	81%	0.805	S	S	*	*			cis	-178.7	143.1	-16.2	-118.7	-175.1	158.9	-146.2	0	103.3
767	D	31.7	Very low	32	Very low	120 Å²	120	143.5 Å²	143.5	64%	0.642	80%	0.799	S	S	*	*			trans	61.4	134.4	147.1	-45.6	-28.6	0	0	0	120.3
768	D	32.3	Very low	32.1	Very low	131 Å²	131	143.5 Å²	143.5	70%	0.701	80%	0.801	S	S	*	*			trans	78.4	114.9	152.8	-65.3	-43.5	0	0	0	125.4
769	Q	35.6	Very low	32.1	Very low	158 Å²	158	143.4 Å²	143.4	74%	0.738	80%	0.796	S	S	*	*				70.3	80.1	123.7	-61.5	172.4	49.7	0	0	120.7	C771	Q769-C771 PolarHBondContact O-N 3.12Å
770	Y	28.8	Very low	32.7	Very low	229 Å²	229	149.1 Å²	149.1	90%	0.898	81%	0.807	S	S	*	*				28.8	86	117.1	-148	-75.4	0	0	0	117.7
771	C	32.5	Very low	33.4	Very low	133 Å²	133	145.5 Å²	145.5	90%	0.899	78%	0.784	S	S	*	*			trans	-122.1	138.9	158.8	-101.6	0	0	0	0	110	Q769	Q769-C771 PolarHBondContact O-N 3.12Å
772	A	30.2	Very low	34.4	Very low	103 Å²	103	143.3 Å²	143.3	85%	0.851	77%	0.774	S	S	*	*			trans	-110	112.8	177.6	0	0	0	0	0	109.6
773	G	34.7	Very low	36.2	Very low	67 Å²	67	143.6 Å²	143.6	69%	0.691	76%	0.764	S	S	*	*			trans	-143.9	147.3	174.4	0	0	0	0	0	109.6
774	N	29	Very low	38	Very low	169 Å²	169	138.6 Å²	138.6	90%	0.904	73%	0.733	S	S	*	*			trans	-93.3	104.7	177.3	-69.8	-36.1	0	0	0	109.1
775	D	34	Very low	40.3	Very low	155 Å²	155	135 Å²	135	83%	0.829	72%	0.72	S	S	*	*			trans	-134.6	153.1	166.2	-82.6	-62.2	0	0	0	110.3	E777	D775-E777 PolarHBondContact O-N 2.07Å
776	C	29.1	Very low	42.4	Very low	132 Å²	132	129.7 Å²	129.7	89%	0.892	68%	0.682	S	S	*	*			trans	-84.1	108.1	-173	-68.3	0	0	0	0	112
777	E	32.9	Very low	44.3	Very low	174 Å²	174	126.8 Å²	126.8	81%	0.813	68%	0.683	S	S	*	*			trans	-108.7	144.8	164.1	-75.2	-152.8	144.5	0	0	112.8	D775	D775-E777 PolarHBondContact O-N 2.07Å
778	M	30.1	Very low	46.2	Very low	175 Å²	175	125.1 Å²	125.1	86%	0.862	68%	0.677	S	S	*	*			trans	-88.9	155.2	-164.5	-57.3	174.5	-161	0	0	113.9	R780	M778-R780 PolarHBondContact O-N 3.36Å; M778-R780 VanDerWaalsContact O-N 3.11Å
779	E	30.2	Very low	48.3	Very low	173 Å²	173	121.6 Å²	121.6	81%	0.808	66%	0.662	S	S	*	*			trans	-0.2	86.3	161.8	-54.2	-160.8	126	0	0	118.7	V781	E779-V781 HydrophobicContact CB-CG2 3.91Å; E779-V781 PolarHBondContact O-N 3.25Å
780	R	39.1	Very low	50.3	Low	217 Å²	217	116.4 Å²	116.4	82%	0.819	65%	0.652	S	S	*	*			trans	-75.6	73.4	157	-69.8	-167.4	-175.3	-176.5	4.8	111	M778 N782	M778-R780 PolarHBondContact O-N 3.36Å; M778-R780 VanDerWaalsContact O-N 3.11Å; R780-N782 PolarHBondContact O-N 3.48Å; R780-N782 PolarHBondContact O-ND2 2.8Å
781	V	46.9	Very low	52.5	Low	73 Å²	73	111.7 Å²	111.7	44%	0.442	64%	0.636	S	S	.	*			trans	-56.5	121.3	175.1	-178.2	0	0	0	0	109.9	E779 V783 L794	E779-V781 HydrophobicContact CB-CG2 3.91Å; E779-V781 PolarHBondContact O-N 3.25Å; V781-V783 HydrophobicContact CG1-CG2 4.41Å; V781-V783 PolarHBondContact O-N 3.34Å; V781-L794 HydrophobicContact CG1-CD2 3.51Å
782	N	54.2	Low	54.6	Low	108 Å²	108	111.9 Å²	111.9	58%	0.578	62%	0.623	S	S	*	*			trans	-77.8	88.9	178.6	-86.6	-111.5	0	0	0	110.5	R780 Y784	R780-N782 PolarHBondContact O-N 3.48Å; R780-N782 PolarHBondContact O-ND2 2.8Å; N782-Y784 HydrophobicContact CB-CE2 4.22Å; N782-Y784 WeakPolarHBondContact O-CD2 3.06Å; N782-Y784 WeakPolarHBondContact O-CE2 3.2Å
783	V	71	Confident	56.9	Low	67 Å²	67	108.9 Å²	108.9	41%	0.406	59%	0.591	S	S	.	*			trans	-73.1	125.3	173.2	-178.3	0	0	0	0	110.3	V781 L785 E792	V781-V783 HydrophobicContact CG1-CG2 4.41Å; V781-V783 PolarHBondContact O-N 3.34Å; V783-L785 HydrophobicContact CG1-CD2 4.09Å; V783-E792 HydrophobicContact CG1-CB 3.77Å; V783-E792 HydrophobicContact CG1-CG 4.18Å
784	Y	76	Confident	58.8	Low	61 Å²	61	111.9 Å²	111.9	24%	0.239	59%	0.591	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.9	107.8	177.2	-61.5	-72.4	0	0	0	110.7	N782 F793 R795 R796	N782-Y784 HydrophobicContact CB-CE2 4.22Å; N782-Y784 WeakPolarHBondContact O-CD2 3.06Å; N782-Y784 WeakPolarHBondContact O-CE2 3.2Å; Y784-F793 WeakPolarHBondContact CB-O 3.45Å; Y784-F793 WeakPolarHBondContact CD2-O 3.4Å; Y784-F793 PolarHBondContact N-O 2.89Å; Y784-F793 PolarHBondContact O-N 3.28Å; Y784-R795 VanDerWaalsContact CD2-C 3.47Å; Y784-R796 HydrophobicContact CD2-CB 4.26Å; Y784-R796 VanDerWaalsContact CD2-N 3.3Å; Y784-R796 HydrophobicContact CE2-CB 4.01Å
785	L	78.7	Confident	60.8	Low	106 Å²	106	112.4 Å²	112.4	56%	0.555	58%	0.58	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-77.3	145.7	179.4	-57.3	-179.8	0	0	0	112.8	V783 E792 L799	V783-L785 HydrophobicContact CG1-CD2 4.09Å; L785-E792 HydrophobicContact CD2-CB 4.31Å; L785-E792 HydrophobicContact CD2-CG 3.66Å; L785-E792 WeakPolarHBondContact CD2-OE1 3.47Å; L785-L799 WeakPolarHBondContact O-CD1 3.46Å
786	C	79.9	Confident	62.8	Low	2 Å²	2	112.9 Å²	112.9	1%	0.014	57%	0.57	C	S	.	*			trans	-89.6	110.8	170.2	-174	0	0	0	0	112.1	T788 C789 G790 K791 F793 L799 H802	C786-T788 PolarHBondContact O-N 2.63Å; C786-C789 PolarHBondContact O-N 2.39Å; C786-C789 VanDerWaalsContact O-N 3.12Å; C786-G790 WeakPolarHBondContact O-CA 3.38Å; C786-G790 PolarHBondContact O-N 2.87Å; C786-K791 WeakPolarHBondContact CB-O 3.46Å; C786-K791 PolarHBondContact N-O 3.41Å; C786-F793 HydrophobicContact CB-CE2 4.16Å; C786-L799 HydrophobicContact CB-CD1 3.82Å; C786-H802 PolarHBondContact SG-CD2 2.83Å; C786-H802 PolarHBondContact SG-NE2 3.01Å; C786-H802 VanDerWaalsContact SG-NE2 3.37Å
787	S	72.7	Confident	64.9	Low	109 Å²	109	112.1 Å²	112.1	76%	0.762	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.4	-10	177.8	62.9	0	0	0	0	115.6
788	T	71.3	Confident	66.9	Low	85 Å²	85	106 Å²	106	52%	0.521	53%	0.533	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-12	-179.4	-19.1	0	0	0	0	113.9	C786 H806	C786-T788 PolarHBondContact O-N 2.63Å; T788-H806 HydrophobicContact CG2-CB 4.09Å
789	C	77.4	Confident	69.4	Low	57 Å²	57	98.8 Å²	98.8	39%	0.385	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-160.5	18.8	177.8	71.2	0	0	0	0	115.6	C786 K791 H802 H806	C786-C789 PolarHBondContact O-N 2.39Å; C786-C789 VanDerWaalsContact O-N 3.12Å; C789-K791 PolarHBondContact O-N 3.37Å; C789-H802 PolarHBondContact SG-NE2 3.35Å; C789-H806 VanDerWaalsContact SG-CE1 3.53Å; C789-H806 PolarHBondContact SG-NE2 3.26Å
790	G	76.8	Confident	71.5	Confident	50 Å²	50	92.9 Å²	92.9	52%	0.515	48%	0.479	S	S	.	.			trans	73.4	-27.5	179.3	0	0	0	0	0	115.9	C786 E792	C786-G790 WeakPolarHBondContact O-CA 3.38Å; C786-G790 PolarHBondContact O-N 2.87Å; G790-E792 PolarHBondContact O-N 3.44Å
791	K	75.8	Confident	73.1	Confident	129 Å²	129	89.3 Å²	89.3	56%	0.561	47%	0.466	S	S	*	.			trans	-49.6	134	-169	-69.4	-173.8	-177.1	-169.6	0	114.3	C786 C789 F793	C786-K791 WeakPolarHBondContact CB-O 3.46Å; C786-K791 PolarHBondContact N-O 3.41Å; C789-K791 PolarHBondContact O-N 3.37Å; K791-F793 HydrophobicContact CB-CE2 3.75Å; K791-F793 HydrophobicContact CB-CZ 3.99Å; K791-F793 VanDerWaalsContact O-CD2 3.27Å; K791-F793 WeakPolarHBondContact O-CD2 3.26Å; K791-F793 WeakPolarHBondContact O-CE2 3.34Å
792	E	76.4	Confident	74.6	Confident	137 Å²	137	87 Å²	87	64%	0.64	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	143.3	-174.9	-50.9	-149.5	139.2	0	0	112.4	V783 L785 G790	V783-E792 HydrophobicContact CG1-CB 3.77Å; V783-E792 HydrophobicContact CG1-CG 4.18Å; L785-E792 HydrophobicContact CD2-CB 4.31Å; L785-E792 HydrophobicContact CD2-CG 3.66Å; L785-E792 WeakPolarHBondContact CD2-OE1 3.47Å; G790-E792 PolarHBondContact O-N 3.44Å
793	F	79.1	Confident	75.7	Confident	41 Å²	41	87.7 Å²	87.7	18%	0.18	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	122.8	178.7	-64	-80.9	0	0	0	112.1	Y784 C786 K791 R795 L799 H802	Y784-F793 WeakPolarHBondContact CB-O 3.45Å; Y784-F793 WeakPolarHBondContact CD2-O 3.4Å; Y784-F793 PolarHBondContact N-O 2.89Å; Y784-F793 PolarHBondContact O-N 3.28Å; C786-F793 HydrophobicContact CB-CE2 4.16Å; K791-F793 HydrophobicContact CB-CE2 3.75Å; K791-F793 HydrophobicContact CB-CZ 3.99Å; K791-F793 VanDerWaalsContact O-CD2 3.27Å; K791-F793 WeakPolarHBondContact O-CD2 3.26Å; K791-F793 WeakPolarHBondContact O-CE2 3.34Å; F793-R795 PolarHBondContact O-N 2.74Å; F793-R795 VanDerWaalsContact O-N 3.09Å; F793-L799 HydrophobicContact CB-CB 4.09Å; F793-L799 HydrophobicContact CD2-CB 4.11Å; F793-L799 HydrophobicContact CD2-CD1 3.83Å; F793-L799 HydrophobicContact CE2-CD1 4.31Å; F793-L799 HydrophobicContact CG-CB 4.19Å; F793-H802 HydrophobicContact CE1-CB 3.82Å; F793-H802 HydrophobicContact CE2-CB 3.88Å; F793-H802 AromaticContact CE2-CD2 3.22Å; F793-H802 WeakPolarHBondContact CE2-CD2 3.41Å; F793-H802 AromaticContact CE2-CG 3.59Å; F793-H802 AromaticContact CE2-NE2 3.97Å; F793-H802 HydrophobicContact CZ-CB 3.39Å; F793-H802 AromaticContact CZ-CD2 3.34Å; F793-H802 WeakPolarHBondContact CZ-CD2 3.22Å; F793-H802 AromaticContact CZ-CG 3.19Å; F793-H802 AromaticContact CZ-ND1 3.83Å
794	L	74.6	Confident	75.6	Confident	130 Å²	130	91.8 Å²	91.8	68%	0.681	46%	0.457	S	S	*	.	S	Bend	trans	-65.3	-9.1	175.9	-58.4	169.4	0	0	0	114.2	V781	V781-L794 HydrophobicContact CG1-CD2 3.51Å
795	R	71.6	Confident	75	Confident	180 Å²	180	92.3 Å²	92.3	68%	0.679	46%	0.464	S	S	*	.	S	Bend	trans	-144.7	137.8	-178.7	-63.8	-172.4	-177.4	-177.4	1.9	111.7	Y784 F793 D797 S798 L799	Y784-R795 VanDerWaalsContact CD2-C 3.47Å; F793-R795 PolarHBondContact O-N 2.74Å; F793-R795 VanDerWaalsContact O-N 3.09Å; R795-D797 PolarHBondContact O-N 3.32Å; R795-S798 WeakPolarHBondContact O-CB 3.5Å; R795-S798 PolarHBondContact O-N 3.06Å; R795-L799 PolarHBondContact O-N 2.84Å; R795-L799 VanDerWaalsContact O-N 3.12Å
796	R	74.3	Confident	74.6	Confident	165 Å²	165	90.3 Å²	90.3	62%	0.623	45%	0.452	S	S	*	.	H	α-helix	trans	-58.1	-33.1	178.8	-177.1	176.2	-73.3	160.5	-4.4	113.1	Y784 L799 A800	Y784-R796 HydrophobicContact CD2-CB 4.26Å; Y784-R796 VanDerWaalsContact CD2-N 3.3Å; Y784-R796 HydrophobicContact CE2-CB 4.01Å; R796-L799 PolarHBondContact O-N 3.08Å; R796-A800 WeakPolarHBondContact O-CB 3.49Å; R796-A800 PolarHBondContact O-N 3.2Å
797	D	73.9	Confident	73.8	Confident	115 Å²	115	95.2 Å²	95.2	62%	0.615	48%	0.482	S	S	*	.	H	α-helix	trans	-71.5	-31.8	177.8	-54.4	-42.7	0	0	0	112.4	R795 R801	R795-D797 PolarHBondContact O-N 3.32Å; D797-R801 VanDerWaalsContact O-CB 3.23Å; D797-R801 WeakPolarHBondContact O-CB 3.4Å; D797-R801 PolarHBondContact O-N 2.82Å
798	S	76.1	Confident	72.9	Confident	45 Å²	45	93.9 Å²	93.9	32%	0.315	47%	0.466	S	S	.	.	H	α-helix	trans	-69.3	-43.4	172.4	-57.3	0	0	0	0	110.7	R795 R801 H802	R795-S798 WeakPolarHBondContact O-CB 3.5Å; R795-S798 PolarHBondContact O-N 3.06Å; S798-R801 PolarHBondContact O-N 3.37Å; S798-H802 VanDerWaalsContact O-CB 3.29Å; S798-H802 WeakPolarHBondContact O-CB 3.47Å; S798-H802 PolarHBondContact O-N 3.18Å
799	L	81	Confident	72.2	Confident	24 Å²	24	93.4 Å²	93.4	13%	0.126	46%	0.464	C	S	.	.	H	α-helix	trans	-58.1	-48	170.9	174.5	68.1	0	0	0	111.4	L785 C786 F793 R795 R796 R801 H802 R803	L785-L799 WeakPolarHBondContact O-CD1 3.46Å; C786-L799 HydrophobicContact CB-CD1 3.82Å; F793-L799 HydrophobicContact CB-CB 4.09Å; F793-L799 HydrophobicContact CD2-CB 4.11Å; F793-L799 HydrophobicContact CD2-CD1 3.83Å; F793-L799 HydrophobicContact CE2-CD1 4.31Å; F793-L799 HydrophobicContact CG-CB 4.19Å; R795-L799 PolarHBondContact O-N 2.84Å; R795-L799 VanDerWaalsContact O-N 3.12Å; R796-L799 PolarHBondContact O-N 3.08Å; L799-R801 VanDerWaalsContact C-N 3.34Å; L799-R801 PolarHBondContact O-N 3.28Å; L799-H802 PolarHBondContact O-N 2.87Å; L799-R803 HydrophobicContact CD1-CG 4.19Å; L799-R803 HydrophobicContact CG-CG 4.46Å; L799-R803 WeakPolarHBondContact O-CG 3.43Å; L799-R803 PolarHBondContact O-N 2.97Å
800	A	75.4	Confident	71.1	Confident	50 Å²	50	101.1 Å²	101.1	41%	0.413	49%	0.485	S	S	.	.	H	α-helix	trans	-64.2	-39	-178.8	0	0	0	0	0	112.2	R796 K804	R796-A800 WeakPolarHBondContact O-CB 3.49Å; R796-A800 PolarHBondContact O-N 3.2Å; A800-K804 PolarHBondContact O-N 2.87Å
801	R	71.8	Confident	70.4	Confident	142 Å²	142	101.9 Å²	101.9	54%	0.536	48%	0.483	S	S	.	.	H	α-helix	trans	-65.4	-40.9	173.5	-167.6	-177	-52.8	170.7	4.5	111.6	D797 S798 L799 K804 N805	D797-R801 VanDerWaalsContact O-CB 3.23Å; D797-R801 WeakPolarHBondContact O-CB 3.4Å; D797-R801 PolarHBondContact O-N 2.82Å; S798-R801 PolarHBondContact O-N 3.37Å; L799-R801 VanDerWaalsContact C-N 3.34Å; L799-R801 PolarHBondContact O-N 3.28Å; R801-K804 PolarHBondContact O-N 3Å; R801-N805 PolarHBondContact O-OD1 2.95Å
802	H	78.8	Confident	70	Confident	23 Å²	23	97.3 Å²	97.3	11%	0.106	47%	0.465	C	S	.	.	H	α-helix	trans	-69.9	-41.1	177.6	169.7	64.2	0	0	0	113	C786 C789 F793 S798 L799 K804 N805 H806	C786-H802 PolarHBondContact SG-CD2 2.83Å; C786-H802 PolarHBondContact SG-NE2 3.01Å; C786-H802 VanDerWaalsContact SG-NE2 3.37Å; C789-H802 PolarHBondContact SG-NE2 3.35Å; F793-H802 HydrophobicContact CE1-CB 3.82Å; F793-H802 HydrophobicContact CE2-CB 3.88Å; F793-H802 AromaticContact CE2-CD2 3.22Å; F793-H802 WeakPolarHBondContact CE2-CD2 3.41Å; F793-H802 AromaticContact CE2-CG 3.59Å; F793-H802 AromaticContact CE2-NE2 3.97Å; F793-H802 HydrophobicContact CZ-CB 3.39Å; F793-H802 AromaticContact CZ-CD2 3.34Å; F793-H802 WeakPolarHBondContact CZ-CD2 3.22Å; F793-H802 AromaticContact CZ-CG 3.19Å; F793-H802 AromaticContact CZ-ND1 3.83Å; S798-H802 VanDerWaalsContact O-CB 3.29Å; S798-H802 WeakPolarHBondContact O-CB 3.47Å; S798-H802 PolarHBondContact O-N 3.18Å; L799-H802 PolarHBondContact O-N 2.87Å; H802-K804 PolarHBondContact O-N 3.49Å; H802-N805 VanDerWaalsContact O-CB 3.27Å; H802-N805 WeakPolarHBondContact O-CB 3.34Å; H802-N805 PolarHBondContact O-N 3.21Å; H802-H806 AromaticContact CD2-NE2 3.88Å; H802-H806 AromaticContact CE1-CE1 3.83Å; H802-H806 AromaticContact CE1-NE2 3.28Å; H802-H806 PolarHBondContact CE1-NE2 2.98Å; H802-H806 VanDerWaalsContact CE1-NE2 3.28Å; H802-H806 AromaticContact NE2-CD2 3.86Å; H802-H806 AromaticContact NE2-CE1 3.89Å; H802-H806 AromaticContact NE2-NE2 2.98Å; H802-H806 PolarHBondContact NE2-NE2 2.8Å
803	R	76.6	Confident	69.7	Low	124 Å²	124	93.2 Å²	93.2	47%	0.468	45%	0.45	S	S	.	.	H	α-helix	trans	-57.1	-31.4	175.5	-79.4	-175.8	65.7	176.4	-1.6	112.5	L799 N805 H806 T807	L799-R803 HydrophobicContact CD1-CG 4.19Å; L799-R803 HydrophobicContact CG-CG 4.46Å; L799-R803 WeakPolarHBondContact O-CG 3.43Å; L799-R803 PolarHBondContact O-N 2.97Å; R803-N805 PolarHBondContact O-N 3.18Å; R803-H806 PolarHBondContact O-N 3.45Å; R803-H806 VanDerWaalsContact O-N 3.1Å; R803-T807 PolarHBondContact O-N 2.84Å; R803-T807 VanDerWaalsContact O-N 3.11Å; R803-T807 PolarHBondContact O-OG1 3.31Å
804	K	68.6	Low	69.6	Low	152 Å²	152	91.3 Å²	91.3	66%	0.661	44%	0.442	S	S	*	.	H	α-helix	trans	-62.5	-26.1	174.5	-71.4	-177.3	176.7	-170.7	0	113.8	A800 R801 H802 H806 T807 N808	A800-K804 PolarHBondContact O-N 2.87Å; R801-K804 PolarHBondContact O-N 3Å; H802-K804 PolarHBondContact O-N 3.49Å; K804-H806 VanDerWaalsContact C-N 3.3Å; K804-H806 PolarHBondContact O-N 2.76Å; K804-T807 WeakPolarHBondContact CA-OG1 3.07Å; K804-N808 PolarHBondContact O-N 3.3Å
805	N	64.9	Low	69.6	Low	73 Å²	73	91 Å²	91	39%	0.39	44%	0.437	S	S	.	.	H	α-helix	trans	-66.8	-33.8	174.6	-61.3	13.6	0	0	0	111.5	R801 H802 R803 G822	R801-N805 PolarHBondContact O-OD1 2.95Å; H802-N805 VanDerWaalsContact O-CB 3.27Å; H802-N805 WeakPolarHBondContact O-CB 3.34Å; H802-N805 PolarHBondContact O-N 3.21Å; R803-N805 PolarHBondContact O-N 3.18Å; N805-G822 PolarHBondContact OD1-O 3.07Å
806	H	69.4	Low	70	Confident	64 Å²	64	86.3 Å²	86.3	30%	0.296	42%	0.422	S	S	.	.	H	α-helix	trans	-79.1	-40.9	176.7	-56.8	-56	0	0	0	111.8	T788 C789 H802 R803 K804 N808	T788-H806 HydrophobicContact CG2-CB 4.09Å; C789-H806 VanDerWaalsContact SG-CE1 3.53Å; C789-H806 PolarHBondContact SG-NE2 3.26Å; H802-H806 AromaticContact CD2-NE2 3.88Å; H802-H806 AromaticContact CE1-CE1 3.83Å; H802-H806 AromaticContact CE1-NE2 3.28Å; H802-H806 PolarHBondContact CE1-NE2 2.98Å; H802-H806 VanDerWaalsContact CE1-NE2 3.28Å; H802-H806 AromaticContact NE2-CD2 3.86Å; H802-H806 AromaticContact NE2-CE1 3.89Å; H802-H806 AromaticContact NE2-NE2 2.98Å; H802-H806 PolarHBondContact NE2-NE2 2.8Å; R803-H806 PolarHBondContact O-N 3.45Å; R803-H806 VanDerWaalsContact O-N 3.1Å; K804-H806 VanDerWaalsContact C-N 3.3Å; K804-H806 PolarHBondContact O-N 2.76Å; H806-N808 PolarHBondContact O-N 2.81Å
807	T	63	Low	70.4	Confident	104 Å²	104	80.7 Å²	80.7	64%	0.638	41%	0.407	S	S	*	.	H	α-helix	trans	-80.1	-13.1	-174.1	61.8	0	0	0	0	114.5	R803 K804	R803-T807 PolarHBondContact O-N 2.84Å; R803-T807 VanDerWaalsContact O-N 3.11Å; R803-T807 PolarHBondContact O-OG1 3.31Å; K804-T807 WeakPolarHBondContact CA-OG1 3.07Å
808	N	54.7	Low	70.6	Confident	82 Å²	82	82.8 Å²	82.8	44%	0.439	41%	0.414	S	S	.	.			trans	-150.1	73.1	174.7	-161.5	-26.5	0	0	0	114.4	K804 H806 R810 S811	K804-N808 PolarHBondContact O-N 3.3Å; H806-N808 PolarHBondContact O-N 2.81Å; N808-R810 VanDerWaalsContact C-N 3.27Å; N808-R810 PolarHBondContact O-N 3.45Å; N808-S811 VanDerWaalsContact CG-CB 3.43Å; N808-S811 PolarHBondContact O-OG 2.94Å; N808-S811 WeakPolarHBondContact OD1-CB 3.39Å; N808-S811 PolarHBondContact OD1-N 2.89Å; N808-S811 PolarHBondContact OD1-OG 3.26Å
809	P	55.9	Low	70.7	Confident	74 Å²	74	87 Å²	87	48%	0.481	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-60.7	-32.9	177.9	-23.5	34.7	0	0	0	113.9
810	R	55	Low	70.3	Confident	219 Å²	219	91 Å²	91	83%	0.826	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-80.2	-20.3	-172.8	-73	-179	167.7	130.5	-3	114.4	N808 N812	N808-R810 VanDerWaalsContact C-N 3.27Å; N808-R810 PolarHBondContact O-N 3.45Å; R810-N812 PolarHBondContact O-N 3.26Å; R810-N812 VanDerWaalsContact O-N 3.15Å
811	S	61.3	Low	70.2	Confident	66 Å²	66	90.9 Å²	90.9	46%	0.462	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-65.9	-13.4	-175	57	0	0	0	0	116.9	N808	N808-S811 VanDerWaalsContact CG-CB 3.43Å; N808-S811 PolarHBondContact O-OG 2.94Å; N808-S811 WeakPolarHBondContact OD1-CB 3.39Å; N808-S811 PolarHBondContact OD1-N 2.89Å; N808-S811 PolarHBondContact OD1-OG 3.26Å
812	N	66.8	Low	69.9	Low	34 Å²	34	86 Å²	86	18%	0.182	43%	0.432	C	S	.	.	G	3₁₀ helix	trans	-135.6	42.9	-175.4	-67.3	-73	0	0	0	111.4	R810 F821 K824 L827	R810-N812 PolarHBondContact O-N 3.26Å; R810-N812 VanDerWaalsContact O-N 3.15Å; N812-F821 HydrophobicContact CB-CB 4.27Å; N812-F821 WeakPolarHBondContact CB-O 3.2Å; N812-F821 PolarHBondContact O-N 3.26Å; N812-K824 WeakPolarHBondContact OD1-CA 3.29Å; N812-K824 PolarHBondContact OD1-N 3.46Å; N812-L827 HydrophobicContact CB-CD2 4.38Å
813	C	70.6	Confident	69.2	Low	51 Å²	51	91.3 Å²	91.3	35%	0.345	45%	0.451	S	S	.	.	B	Isolated β-bridge	trans	-75.8	154.1	167.1	58.8	0	0	0	0	111.3	K819 L820 L827	C813-K819 CarbonylContact C-O 3.49Å; C813-K819 WeakPolarHBondContact CA-O 3.32Å; C813-L820 HydrophobicContact CB-CD2 3.74Å; C813-L827 VanDerWaalsContact O-CD1 3.32Å; C813-L827 WeakPolarHBondContact O-CD1 3.43Å; C813-L827 WeakPolarHBondContact O-CD2 3.37Å
814	C	77.6	Confident	69.1	Low	0 Å²	0	93 Å²	93	0%	0	46%	0.461	C	S	.	.			trans	-89.6	120.3	164.9	-174.9	0	0	0	0	109.8	F816 C817 Q818 K819 F821 L827 H830	C814-F816 PolarHBondContact O-N 2.84Å; C814-F816 VanDerWaalsContact O-N 3.16Å; C814-C817 PolarHBondContact O-N 3.41Å; C814-Q818 WeakPolarHBondContact O-CA 3.39Å; C814-Q818 PolarHBondContact O-N 3.5Å; C814-K819 PolarHBondContact N-O 2.86Å; C814-F821 HydrophobicContact CB-CE2 4.24Å; C814-L827 HydrophobicContact CB-CD1 3.75Å; C814-H830 WeakPolarHBondContact CB-NE2 3.46Å; C814-H830 PolarHBondContact SG-NE2 3.24Å
815	E	74.6	Confident	69.4	Low	123 Å²	123	90.7 Å²	90.7	58%	0.575	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-40.3	178	-64.6	96.6	-113.8	0	0	112.8	K831	E815-K831 WeakPolarHBondContact OE1-CE 3.27Å; E815-K831 IonicContact OE1-NZ 2.67Å; E815-K831 PolarHBondContact OE1-NZ 2.61Å; E815-K831 IonicContact OE2-NZ 2.61Å; E815-K831 PolarHBondContact OE2-NZ 2.89Å
816	F	78.8	Confident	70.2	Confident	82 Å²	82	90 Å²	90	36%	0.36	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-23.9	-171.4	-51.9	-69.9	0	0	0	115.9	C814 H835 Q838 M839	C814-F816 PolarHBondContact O-N 2.84Å; C814-F816 VanDerWaalsContact O-N 3.16Å; F816-H835 HydrophobicContact CB-CB 4.42Å; F816-H835 WeakPolarHBondContact CB-CE1 3.47Å; F816-H835 WeakPolarHBondContact CB-ND1 3.19Å; F816-H835 HydrophobicContact CD2-CB 3.45Å; F816-H835 VanDerWaalsContact CD2-CB 3.45Å; F816-H835 AromaticContact CD2-CG 3.52Å; F816-H835 AromaticContact CD2-ND1 3.94Å; F816-H835 HydrophobicContact CE2-CB 3.88Å; F816-H835 HydrophobicContact CG-CB 4.08Å; F816-H835 AromaticContact CG-CG 3.83Å; F816-H835 AromaticContact CG-ND1 3.75Å; F816-Q838 HydrophobicContact CD1-CB 4.04Å; F816-Q838 HydrophobicContact CE1-CB 3.72Å; F816-Q838 HydrophobicContact CE2-CB 4.42Å; F816-Q838 HydrophobicContact CZ-CB 3.93Å; F816-Q838 WeakPolarHBondContact CZ-O 3.44Å; F816-M839 HydrophobicContact CE2-CE 4.09Å; F816-M839 HydrophobicContact CE2-CG 4.17Å; F816-M839 HydrophobicContact CE2-SD 4.48Å; F816-M839 HydrophobicContact CZ-CE 4.26Å
817	C	83.9	Confident	70.8	Confident	48 Å²	48	87.8 Å²	87.8	32%	0.324	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142.7	12.3	179.9	74.7	0	0	0	0	114.8	C814 K819 H830 H835	C814-C817 PolarHBondContact O-N 3.41Å; C817-K819 PolarHBondContact O-N 3.08Å; C817-H830 PolarHBondContact SG-CE1 3.48Å; C817-H830 PolarHBondContact SG-NE2 3.01Å; C817-H835 PolarHBondContact SG-NE2 3.1Å; C817-H835 VanDerWaalsContact SG-NE2 3.37Å
818	Q	77.6	Confident	71.6	Confident	159 Å²	159	86.8 Å²	86.8	74%	0.743	44%	0.435	S	S	*	.			trans	58.1	1.5	173.6	-54.6	-174.7	9	0	0	116.9	C814 L820	C814-Q818 WeakPolarHBondContact O-CA 3.39Å; C814-Q818 PolarHBondContact O-N 3.5Å; Q818-L820 PolarHBondContact O-N 3.44Å
819	K	78.1	Confident	72.9	Confident	133 Å²	133	90.5 Å²	90.5	58%	0.578	45%	0.448	S	S	*	.			trans	-58.4	135.3	176.3	-70.2	-173.2	179.1	-170.9	0	111.6	C813 C814 C817 F821	C813-K819 CarbonylContact C-O 3.49Å; C813-K819 WeakPolarHBondContact CA-O 3.32Å; C814-K819 PolarHBondContact N-O 2.86Å; C817-K819 PolarHBondContact O-N 3.08Å; K819-F821 HydrophobicContact CB-CE2 3.64Å; K819-F821 HydrophobicContact CB-CZ 3.93Å; K819-F821 VanDerWaalsContact O-CD2 3.27Å; K819-F821 WeakPolarHBondContact O-CD2 3.32Å; K819-F821 VanDerWaalsContact O-CE2 3.23Å; K819-F821 WeakPolarHBondContact O-CE2 3.37Å
820	L	73.2	Confident	74.3	Confident	109 Å²	109	87.9 Å²	87.9	57%	0.571	43%	0.429	S	S	*	.	B	Isolated β-bridge	trans	-94.8	134.8	-177.9	-53.2	-179.5	0	0	0	110.8	C813 Q818	C813-L820 HydrophobicContact CB-CD2 3.74Å; Q818-L820 PolarHBondContact O-N 3.44Å
821	F	74.1	Confident	75.7	Confident	46 Å²	46	78.6 Å²	78.6	20%	0.202	39%	0.394	C	S	.	.			trans	-121.8	136.6	-175.5	-68.6	-88.6	0	0	0	112.8	N812 C814 K819 R823 L827 H830	N812-F821 HydrophobicContact CB-CB 4.27Å; N812-F821 WeakPolarHBondContact CB-O 3.2Å; N812-F821 PolarHBondContact O-N 3.26Å; C814-F821 HydrophobicContact CB-CE2 4.24Å; K819-F821 HydrophobicContact CB-CE2 3.64Å; K819-F821 HydrophobicContact CB-CZ 3.93Å; K819-F821 VanDerWaalsContact O-CD2 3.27Å; K819-F821 WeakPolarHBondContact O-CD2 3.32Å; K819-F821 VanDerWaalsContact O-CE2 3.23Å; K819-F821 WeakPolarHBondContact O-CE2 3.37Å; F821-R823 PolarHBondContact O-N 2.97Å; F821-L827 HydrophobicContact CB-CB 3.94Å; F821-L827 HydrophobicContact CD2-CB 4.06Å; F821-L827 HydrophobicContact CD2-CD1 3.74Å; F821-L827 HydrophobicContact CE2-CD1 4.13Å; F821-L827 HydrophobicContact CG-CB 4.04Å; F821-H830 HydrophobicContact CD1-CB 4.47Å; F821-H830 HydrophobicContact CE1-CB 3.63Å; F821-H830 AromaticContact CE1-CG 3.9Å; F821-H830 HydrophobicContact CE2-CB 4.13Å; F821-H830 AromaticContact CE2-CD2 3.23Å; F821-H830 WeakPolarHBondContact CE2-CD2 3.48Å; F821-H830 AromaticContact CE2-CG 3.75Å; F821-H830 AromaticContact CE2-NE2 3.92Å; F821-H830 HydrophobicContact CZ-CB 3.45Å; F821-H830 VanDerWaalsContact CZ-CB 3.45Å; F821-H830 AromaticContact CZ-CD2 3.19Å; F821-H830 WeakPolarHBondContact CZ-CD2 3.04Å; F821-H830 AromaticContact CZ-CG 3.19Å; F821-H830 AromaticContact CZ-ND1 3.91Å; F821-H830 AromaticContact CZ-NE2 3.9Å
822	G	63.5	Low	76.8	Confident	41 Å²	41	84.2 Å²	84.2	42%	0.423	41%	0.406	S	S	.	.	S	Bend	trans	-71.4	-5.1	178	0	0	0	0	0	115.6	N805	N805-G822 PolarHBondContact OD1-O 3.07Å
823	R	65.3	Low	77.7	Confident	134 Å²	134	86.9 Å²	86.9	51%	0.506	43%	0.427	S	S	.	.	S	Bend	trans	-148.8	147.3	176.9	-55.8	-176	-168.6	173.7	7.2	110.4	F821 D825 T826 L827	F821-R823 PolarHBondContact O-N 2.97Å; R823-D825 PolarHBondContact O-N 3Å; R823-T826 HydrophobicContact CB-CG2 4.44Å; R823-T826 PolarHBondContact N-OG1 3.11Å; R823-T826 PolarHBondContact O-N 3.27Å; R823-T826 PolarHBondContact O-OG1 2.75Å; R823-L827 PolarHBondContact O-N 3.04Å
824	K	73.6	Confident	78.1	Confident	159 Å²	159	92 Å²	92	69%	0.691	44%	0.444	S	S	*	.	H	α-helix	trans	-60.3	-34.4	173	-167.8	174.6	-178.2	179.4	0	111.8	N812 L827 L828	N812-K824 WeakPolarHBondContact OD1-CA 3.29Å; N812-K824 PolarHBondContact OD1-N 3.46Å; K824-L827 WeakPolarHBondContact O-CB 3.39Å; K824-L827 PolarHBondContact O-N 2.87Å; K824-L828 WeakPolarHBondContact O-CB 3.47Å; K824-L828 PolarHBondContact O-N 2.75Å
825	D	76.4	Confident	78.4	Confident	104 Å²	104	93 Å²	93	56%	0.556	45%	0.448	S	S	*	.	H	α-helix	trans	-69	-35.2	178.2	-19.7	-54.9	0	0	0	112.2	R823 L828 K829	R823-D825 PolarHBondContact O-N 3Å; D825-L828 PolarHBondContact O-N 2.91Å; D825-K829 WeakPolarHBondContact O-CB 3.35Å; D825-K829 WeakPolarHBondContact O-CG 3.46Å; D825-K829 PolarHBondContact O-N 2.83Å
826	T	80.3	Confident	78.3	Confident	58 Å²	58	89.4 Å²	89.4	36%	0.356	44%	0.44	S	S	.	.	H	α-helix	trans	-75.8	-34.9	175.6	51.1	0	0	0	0	111.7	R823 H830	R823-T826 HydrophobicContact CB-CG2 4.44Å; R823-T826 PolarHBondContact N-OG1 3.11Å; R823-T826 PolarHBondContact O-N 3.27Å; R823-T826 PolarHBondContact O-OG1 2.75Å; T826-H830 WeakPolarHBondContact O-CB 3.31Å; T826-H830 PolarHBondContact O-N 3.16Å
827	L	82.9	Confident	78	Confident	17 Å²	17	91.7 Å²	91.7	9%	0.089	46%	0.46	C	S	.	.	H	α-helix	trans	-58.3	-47.5	165.9	172.1	60.2	0	0	0	111.3	N812 C813 C814 F821 R823 K824 H830 K831	N812-L827 HydrophobicContact CB-CD2 4.38Å; C813-L827 VanDerWaalsContact O-CD1 3.32Å; C813-L827 WeakPolarHBondContact O-CD1 3.43Å; C813-L827 WeakPolarHBondContact O-CD2 3.37Å; C814-L827 HydrophobicContact CB-CD1 3.75Å; F821-L827 HydrophobicContact CB-CB 3.94Å; F821-L827 HydrophobicContact CD2-CB 4.06Å; F821-L827 HydrophobicContact CD2-CD1 3.74Å; F821-L827 HydrophobicContact CE2-CD1 4.13Å; F821-L827 HydrophobicContact CG-CB 4.04Å; R823-L827 PolarHBondContact O-N 3.04Å; K824-L827 WeakPolarHBondContact O-CB 3.39Å; K824-L827 PolarHBondContact O-N 2.87Å; L827-H830 PolarHBondContact O-N 3.17Å; L827-K831 HydrophobicContact CD1-CD 4.43Å; L827-K831 HydrophobicContact CD1-CG 4.12Å; L827-K831 PolarHBondContact O-N 2.97Å
828	L	79.7	Confident	77.3	Confident	83 Å²	83	94.7 Å²	94.7	44%	0.435	47%	0.469	S	S	.	.	H	α-helix	trans	-67.3	-40.2	-178.3	-166.4	68.8	0	0	0	112.1	K824 D825 H830 K831 R832	K824-L828 WeakPolarHBondContact O-CB 3.47Å; K824-L828 PolarHBondContact O-N 2.75Å; D825-L828 PolarHBondContact O-N 2.91Å; L828-H830 VanDerWaalsContact C-N 3.33Å; L828-H830 PolarHBondContact O-N 2.99Å; L828-K831 PolarHBondContact O-N 2.82Å; L828-R832 WeakPolarHBondContact O-CB 3.48Å; L828-R832 VanDerWaalsContact O-CG 3.31Å; L828-R832 WeakPolarHBondContact O-CG 3.47Å; L828-R832 PolarHBondContact O-N 3.49Å
829	K	82.7	Confident	76.4	Confident	160 Å²	160	91.7 Å²	91.7	70%	0.696	46%	0.456	S	S	*	.	H	α-helix	trans	-61.7	-39.4	171.3	-77	-170.3	178.1	-166.6	0	112.1	D825 S833	D825-K829 WeakPolarHBondContact O-CB 3.35Å; D825-K829 WeakPolarHBondContact O-CG 3.46Å; D825-K829 PolarHBondContact O-N 2.83Å; K829-S833 WeakPolarHBondContact O-CB 3.37Å; K829-S833 PolarHBondContact O-N 3.14Å; K829-S833 PolarHBondContact O-OG 3.15Å; K829-S833 VanDerWaalsContact O-OG 3.06Å
830	H	84.9	Confident	75.4	Confident	20 Å²	20	93.1 Å²	93.1	9%	0.093	48%	0.476	C	S	.	.	H	α-helix	trans	-68.5	-45.8	176.2	161.1	61.3	0	0	0	112.6	C814 C817 F821 T826 L827 L828 R832 S833 K834 H835	C814-H830 WeakPolarHBondContact CB-NE2 3.46Å; C814-H830 PolarHBondContact SG-NE2 3.24Å; C817-H830 PolarHBondContact SG-CE1 3.48Å; C817-H830 PolarHBondContact SG-NE2 3.01Å; F821-H830 HydrophobicContact CD1-CB 4.47Å; F821-H830 HydrophobicContact CE1-CB 3.63Å; F821-H830 AromaticContact CE1-CG 3.9Å; F821-H830 HydrophobicContact CE2-CB 4.13Å; F821-H830 AromaticContact CE2-CD2 3.23Å; F821-H830 WeakPolarHBondContact CE2-CD2 3.48Å; F821-H830 AromaticContact CE2-CG 3.75Å; F821-H830 AromaticContact CE2-NE2 3.92Å; F821-H830 HydrophobicContact CZ-CB 3.45Å; F821-H830 VanDerWaalsContact CZ-CB 3.45Å; F821-H830 AromaticContact CZ-CD2 3.19Å; F821-H830 WeakPolarHBondContact CZ-CD2 3.04Å; F821-H830 AromaticContact CZ-CG 3.19Å; F821-H830 AromaticContact CZ-ND1 3.91Å; F821-H830 AromaticContact CZ-NE2 3.9Å; T826-H830 WeakPolarHBondContact O-CB 3.31Å; T826-H830 PolarHBondContact O-N 3.16Å; L827-H830 PolarHBondContact O-N 3.17Å; L828-H830 VanDerWaalsContact C-N 3.33Å; L828-H830 PolarHBondContact O-N 2.99Å; H830-R832 VanDerWaalsContact C-N 3.31Å; H830-R832 PolarHBondContact O-N 2.92Å; H830-S833 PolarHBondContact O-N 2.85Å; H830-S833 VanDerWaalsContact O-N 3.11Å; H830-S833 PolarHBondContact O-OG 2.97Å; H830-K834 PolarHBondContact O-N 3.4Å; H830-H835 AromaticContact CE1-CD2 3.68Å; H830-H835 AromaticContact CE1-NE2 3.5Å; H830-H835 PolarHBondContact CE1-NE2 2.82Å; H830-H835 AromaticContact NE2-CD2 3.62Å; H830-H835 AromaticContact NE2-NE2 3.55Å
831	K	84.6	Confident	75.5	Confident	23 Å²	23	92.4 Å²	92.4	10%	0.1	47%	0.472	C	S	.	.	H	α-helix	trans	-56.4	-47	173.3	-75.6	-169.2	180	-170.8	0	110.8	E815 L827 L828 S833 H835 A836 M839	E815-K831 WeakPolarHBondContact OE1-CE 3.27Å; E815-K831 IonicContact OE1-NZ 2.67Å; E815-K831 PolarHBondContact OE1-NZ 2.61Å; E815-K831 IonicContact OE2-NZ 2.61Å; E815-K831 PolarHBondContact OE2-NZ 2.89Å; L827-K831 HydrophobicContact CD1-CD 4.43Å; L827-K831 HydrophobicContact CD1-CG 4.12Å; L827-K831 PolarHBondContact O-N 2.97Å; L828-K831 PolarHBondContact O-N 2.82Å; K831-S833 VanDerWaalsContact C-N 3.28Å; K831-S833 PolarHBondContact O-N 3.37Å; K831-H835 CarbonylContact O-C 3.5Å; K831-H835 VanDerWaalsContact O-CA 3.25Å; K831-H835 WeakPolarHBondContact O-CA 3.23Å; K831-H835 WeakPolarHBondContact O-CB 3.32Å; K831-H835 PolarHBondContact O-N 2.88Å; K831-A836 PolarHBondContact O-N 2.95Å; K831-M839 HydrophobicContact CB-CG 4.4Å; K831-M839 HydrophobicContact CB-SD 3.68Å; K831-M839 HydrophobicContact CD-CE 4.2Å; K831-M839 HydrophobicContact CD-SD 3.79Å; K831-M839 HydrophobicContact CG-SD 4.28Å
832	R	83.9	Confident	75.6	Confident	184 Å²	184	94.8 Å²	94.8	69%	0.694	49%	0.486	S	S	*	.	H	α-helix	trans	-65.8	-17.8	176.2	-72.6	179.9	178.8	-171.3	-0.6	115.4	L828 H830	L828-R832 WeakPolarHBondContact O-CB 3.48Å; L828-R832 VanDerWaalsContact O-CG 3.31Å; L828-R832 WeakPolarHBondContact O-CG 3.47Å; L828-R832 PolarHBondContact O-N 3.49Å; H830-R832 VanDerWaalsContact C-N 3.31Å; H830-R832 PolarHBondContact O-N 2.92Å
833	S	84.6	Confident	76.3	Confident	90 Å²	90	97.8 Å²	97.8	63%	0.629	49%	0.489	S	S	*	.	H	α-helix	trans	-111	-22.5	-177.5	69.1	0	0	0	0	115.3	K829 H830 K831	K829-S833 WeakPolarHBondContact O-CB 3.37Å; K829-S833 PolarHBondContact O-N 3.14Å; K829-S833 PolarHBondContact O-OG 3.15Å; K829-S833 VanDerWaalsContact O-OG 3.06Å; H830-S833 PolarHBondContact O-N 2.85Å; H830-S833 VanDerWaalsContact O-N 3.11Å; H830-S833 PolarHBondContact O-OG 2.97Å; K831-S833 VanDerWaalsContact C-N 3.28Å; K831-S833 PolarHBondContact O-N 3.37Å
834	K	80.3	Confident	76.9	Confident	160 Å²	160	95.6 Å²	95.6	70%	0.696	49%	0.488	S	S	*	.	H	α-helix	trans	-113	-19.4	177.8	-76.8	-73.3	-178.7	-176.6	0	113.8	H830	H830-K834 PolarHBondContact O-N 3.4Å
835	H	83.7	Confident	77.1	Confident	20 Å²	20	91.7 Å²	91.7	9%	0.093	48%	0.476	C	S	.	.	S	Bend	trans	-133.5	25.3	-172.3	-57.2	-71.7	0	0	0	111.8	F816 C817 H830 K831 V837 Q838 M839	F816-H835 HydrophobicContact CB-CB 4.42Å; F816-H835 WeakPolarHBondContact CB-CE1 3.47Å; F816-H835 WeakPolarHBondContact CB-ND1 3.19Å; F816-H835 HydrophobicContact CD2-CB 3.45Å; F816-H835 VanDerWaalsContact CD2-CB 3.45Å; F816-H835 AromaticContact CD2-CG 3.52Å; F816-H835 AromaticContact CD2-ND1 3.94Å; F816-H835 HydrophobicContact CE2-CB 3.88Å; F816-H835 HydrophobicContact CG-CB 4.08Å; F816-H835 AromaticContact CG-CG 3.83Å; F816-H835 AromaticContact CG-ND1 3.75Å; C817-H835 PolarHBondContact SG-NE2 3.1Å; C817-H835 VanDerWaalsContact SG-NE2 3.37Å; H830-H835 AromaticContact CE1-CD2 3.68Å; H830-H835 AromaticContact CE1-NE2 3.5Å; H830-H835 PolarHBondContact CE1-NE2 2.82Å; H830-H835 AromaticContact NE2-CD2 3.62Å; H830-H835 AromaticContact NE2-NE2 3.55Å; K831-H835 CarbonylContact O-C 3.5Å; K831-H835 VanDerWaalsContact O-CA 3.25Å; K831-H835 WeakPolarHBondContact O-CA 3.23Å; K831-H835 WeakPolarHBondContact O-CB 3.32Å; K831-H835 PolarHBondContact O-N 2.88Å; H835-V837 VanDerWaalsContact C-N 3.34Å; H835-V837 PolarHBondContact O-N 2.76Å; H835-Q838 HydrophobicContact CB-CB 4.32Å; H835-Q838 PolarHBondContact ND1-OE1 2.98Å; H835-Q838 CarbonylContact O-C 3.51Å; H835-Q838 WeakPolarHBondContact O-CA 3.41Å; H835-Q838 PolarHBondContact O-N 2.8Å; H835-M839 WeakPolarHBondContact O-CG 2.94Å; H835-M839 PolarHBondContact O-N 3.15Å
836	A	73.1	Confident	77.2	Confident	48 Å²	48	90.9 Å²	90.9	40%	0.397	47%	0.47	S	S	.	.	G	3₁₀ helix	trans	-55	-48.4	-180	0	0	0	0	0	112	K831 Q838 M839 T840	K831-A836 PolarHBondContact O-N 2.95Å; A836-Q838 PolarHBondContact O-N 3.07Å; A836-Q838 VanDerWaalsContact O-N 3.15Å; A836-M839 PolarHBondContact O-N 2.91Å; A836-T840 PolarHBondContact O-N 3.02Å; A836-T840 PolarHBondContact O-OG1 3.36Å
837	V	72.2	Confident	76.9	Confident	129 Å²	129	93.2 Å²	93.2	78%	0.782	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-69.2	-5.6	177.5	-169.8	0	0	0	0	112.9	H835	H835-V837 VanDerWaalsContact C-N 3.34Å; H835-V837 PolarHBondContact O-N 2.76Å
838	Q	69.7	Low	76.5	Confident	111 Å²	111	99.1 Å²	99.1	52%	0.519	51%	0.509	S	S	.	.	G	3₁₀ helix	trans	-113.4	2.2	174.2	-61	176.3	-41.5	0	0	111.7	F816 H835 A836	F816-Q838 HydrophobicContact CD1-CB 4.04Å; F816-Q838 HydrophobicContact CE1-CB 3.72Å; F816-Q838 HydrophobicContact CE2-CB 4.42Å; F816-Q838 HydrophobicContact CZ-CB 3.93Å; F816-Q838 WeakPolarHBondContact CZ-O 3.44Å; H835-Q838 HydrophobicContact CB-CB 4.32Å; H835-Q838 PolarHBondContact ND1-OE1 2.98Å; H835-Q838 CarbonylContact O-C 3.51Å; H835-Q838 WeakPolarHBondContact O-CA 3.41Å; H835-Q838 PolarHBondContact O-N 2.8Å; A836-Q838 PolarHBondContact O-N 3.07Å; A836-Q838 VanDerWaalsContact O-N 3.15Å
839	M	57.8	Low	76.2	Confident	96 Å²	96	100.4 Å²	100.4	47%	0.473	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-11.8	173.8	-66.8	-111.8	78.4	0	0	112.2	F816 K831 H835 A836	F816-M839 HydrophobicContact CE2-CE 4.09Å; F816-M839 HydrophobicContact CE2-CG 4.17Å; F816-M839 HydrophobicContact CE2-SD 4.48Å; F816-M839 HydrophobicContact CZ-CE 4.26Å; K831-M839 HydrophobicContact CB-CG 4.4Å; K831-M839 HydrophobicContact CB-SD 3.68Å; K831-M839 HydrophobicContact CD-CE 4.2Å; K831-M839 HydrophobicContact CD-SD 3.79Å; K831-M839 HydrophobicContact CG-SD 4.28Å; H835-M839 WeakPolarHBondContact O-CG 2.94Å; H835-M839 PolarHBondContact O-N 3.15Å; A836-M839 PolarHBondContact O-N 2.91Å
840	T	56.9	Low	75.6	Confident	164 Å²	164	95 Å²	95	100%	1.006	50%	0.498	S	S	*	.			trans	-89	0	164.6	51.9	0	0	0	0	109.7	A836	A836-T840 PolarHBondContact O-N 3.02Å; A836-T840 PolarHBondContact O-OG1 3.36Å

Retrieved 840 of 840 residues in 473.5 ms (Link to these results)

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