A0A087Y2K1_POEFO Loading...

RNA helicase

AlphaFold DB , UniProt , Accession A0A087Y2K1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 729 aa.

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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	37	Very low	37	Very low	228 Å²	228	152.7 Å²	152.7	100%	1.123	85%	0.85	S	S	*	*				0	150.7	0	-65.3	-178.8	-173.4	0	0	107.8
2	L	32.3	Very low	36.4	Very low	145 Å²	145	156.9 Å²	156.9	76%	0.759	84%	0.843	S	S	*	*			trans	83.5	15.3	-172	-58	173	0	0	0	118.3	Q4	L2-Q4 PolarHBondContact O-N 3.07Å
3	E	39.3	Very low	36.2	Very low	204 Å²	204	154.3 Å²	154.3	95%	0.953	83%	0.829	S	S	*	*			trans	-76.8	40.5	147.7	-67.7	175.1	116.9	0	0	110.4
4	Q	41.4	Very low	35.7	Very low	153 Å²	153	155.4 Å²	155.4	72%	0.715	83%	0.826	S	S	*	*			trans	-133	28.1	-158	-149.4	171.1	9.8	0	0	113.1	L2	L2-Q4 PolarHBondContact O-N 3.07Å
5	L	41.7	Very low	35.4	Very low	154 Å²	154	154.3 Å²	154.3	81%	0.806	82%	0.821	S	S	*	*			trans	-130.8	64.1	173.7	-68.8	175.5	0	0	0	109.5
6	G	35.2	Very low	35.1	Very low	76 Å²	76	154.8 Å²	154.8	78%	0.784	82%	0.823	S	S	*	*			trans	-70.6	129.9	173.6	0	0	0	0	0	111.1
7	L	43.2	Very low	34.7	Very low	175 Å²	175	151.2 Å²	151.2	92%	0.916	81%	0.813	S	S	*	*			trans	-119.5	141.7	173.2	-77.3	168.9	0	0	0	110.7
8	I	37.3	Very low	35.1	Very low	173 Å²	173	148.8 Å²	148.8	89%	0.887	81%	0.807	S	S	*	*			trans	-87	151.6	-171.3	-66.2	160.4	0	0	0	109
9	G	32.8	Very low	34.7	Very low	72 Å²	72	149.9 Å²	149.9	74%	0.742	81%	0.806	S	S	*	*			cis	173.5	-129.2	0.9	0	0	0	0	0	114.2
10	T	33.8	Very low	34.5	Very low	129 Å²	129	150.9 Å²	150.9	79%	0.791	81%	0.805	S	S	*	*			trans	-83.2	153.7	-159.9	51.8	0	0	0	0	117
11	I	33	Very low	34.7	Very low	171 Å²	171	149.1 Å²	149.1	88%	0.877	80%	0.802	S	S	*	*			trans	-152.9	162.6	134.9	-101.5	152	0	0	0	108.1
12	R	29.4	Very low	34.3	Very low	203 Å²	203	142.5 Å²	142.5	77%	0.766	78%	0.784	S	S	*	*			trans	-134.2	179.4	-176	-58.3	176.1	167.9	-175.7	-4.9	111.3
13	D	33.7	Very low	34.1	Very low	123 Å²	123	141.7 Å²	141.7	66%	0.658	79%	0.785	S	S	*	*			trans	69	147.4	152.3	-52	-31.4	0	0	0	114.3
14	E	30.3	Very low	33.7	Very low	169 Å²	169	140.9 Å²	140.9	79%	0.79	78%	0.781	S	S	*	*			cis	-140.7	159.3	-2.8	-101.5	143.1	-179.3	0	0	107.4
15	D	31.3	Very low	33.1	Very low	139 Å²	139	139.3 Å²	139.3	74%	0.743	79%	0.787	S	S	*	*				-178.9	124.9	85	-92.4	-38.4	0	0	0	107.8
16	L	30.6	Very low	32.6	Very low	163 Å²	163	140.2 Å²	140.2	85%	0.853	79%	0.787	S	S	*	*				83.3	146.5	93.1	-77.6	172.7	0	0	0	118.2
17	S	28.2	Very low	32.8	Very low	94 Å²	94	141.4 Å²	141.4	66%	0.657	78%	0.781	S	S	*	*			trans	-104.2	-166.4	-165.9	69.2	0	0	0	0	113.2
18	P	40.9	Very low	32.1	Very low	108 Å²	108	141.3 Å²	141.3	70%	0.701	78%	0.776	S	S	*	*			cis	-117.7	170.6	32.6	14.7	12.9	0	0	0	113.9
19	E	28.2	Very low	31.7	Very low	169 Å²	169	141.6 Å²	141.6	79%	0.79	77%	0.774	S	S	*	*				59	137.7	59.1	-59.4	171.8	-179.2	0	0	113.2
20	E	30	Very low	31.6	Very low	169 Å²	169	146.7 Å²	146.7	79%	0.79	78%	0.778	S	S	*	*			cis	-161	-163.8	-1	-126.4	-157.3	-154	0	0	107
21	P	39.6	Very low	32.6	Very low	114 Å²	114	145.5 Å²	145.5	74%	0.74	77%	0.773	S	S	*	*			cis	-126.6	-170.8	-5.5	41.5	-23.8	0	0	0	114.3
22	A	27.7	Very low	32.2	Very low	90 Å²	90	145.3 Å²	145.3	74%	0.744	77%	0.772	S	S	*	*			trans	-107.6	176.6	-175.3	0	0	0	0	0	115.3
23	T	29.2	Very low	32.7	Very low	127 Å²	127	142.3 Å²	142.3	78%	0.779	77%	0.769	S	S	*	*			trans	-154.9	115.6	152	-24.8	0	0	0	0	111.7
24	E	30.6	Very low	32.4	Very low	188 Å²	188	144.7 Å²	144.7	88%	0.879	78%	0.781	S	S	*	*			trans	30.8	142.3	144.1	-59.5	168.8	-179.7	0	0	121
25	S	28.9	Very low	32.4	Very low	119 Å²	119	143.2 Å²	143.2	83%	0.832	78%	0.779	S	S	*	*			cis	-151.3	158.8	21	62.4	0	0	0	0	115.3
26	E	31.1	Very low	32.3	Very low	173 Å²	173	147.3 Å²	147.3	81%	0.808	78%	0.784	S	S	*	*			trans	-70.1	-172.4	172.8	-57	165	163.6	0	0	113.6
27	P	39.5	Very low	32.5	Very low	102 Å²	102	149.1 Å²	149.1	66%	0.662	79%	0.785	S	S	*	*			cis	-115.2	162.9	-16.7	2.5	23.4	0	0	0	113.2
28	E	28.5	Very low	32.5	Very low	173 Å²	173	154.1 Å²	154.1	81%	0.808	80%	0.795	S	S	*	*				59.7	146.8	82	-46.4	-174.6	134.3	0	0	114.4
29	E	27.8	Very low	31.9	Very low	179 Å²	179	157.3 Å²	157.3	84%	0.836	80%	0.797	S	S	*	*			cis	-157	147.4	25.4	-160.5	177.2	-145.1	0	0	111.8
30	E	32.1	Very low	31.7	Very low	179 Å²	179	158.1 Å²	158.1	84%	0.836	80%	0.799	S	S	*	*			trans	-118.2	170.4	163.7	-78.3	-159.6	165.4	0	0	109.1
31	P	53.1	Low	31.6	Very low	104 Å²	104	153.9 Å²	153.9	68%	0.675	80%	0.801	S	S	*	*				-123.6	-172.1	-53.1	37.9	-23.7	0	0	0	109.2
32	I	26.6	Very low	30.9	Very low	167 Å²	167	152.1 Å²	152.1	86%	0.856	80%	0.803	S	S	*	*			trans	-157.7	139.3	148.5	-108.7	147	0	0	0	116.2
33	I	39.6	Very low	31.4	Very low	140 Å²	140	157.5 Å²	157.5	72%	0.718	81%	0.813	S	S	*	*			trans	-44.2	143.5	174.6	-56.6	149.1	0	0	0	115.3
34	L	27.4	Very low	31.4	Very low	173 Å²	173	162.9 Å²	162.9	91%	0.906	82%	0.819	S	S	*	*			trans	-147	164	145.7	-112.8	173.8	0	0	0	112.9
35	N	30.3	Very low	31.5	Very low	137 Å²	137	158.7 Å²	158.7	73%	0.733	81%	0.81	S	S	*	*			trans	-136.2	165.6	-150.8	-149.7	-36.6	0	0	0	114.1
36	R	29.3	Very low	31.7	Very low	225 Å²	225	159.9 Å²	159.9	85%	0.849	81%	0.813	S	S	*	*			trans	79.8	106	166.8	-65	178.8	163	179	-4.1	122
37	K	34.3	Very low	32.2	Very low	201 Å²	201	157.8 Å²	157.8	87%	0.874	81%	0.807	S	S	*	*				20.7	123.6	127.6	-60.6	177.3	177.9	177.8	0	119.8
38	K	27.7	Very low	31.9	Very low	200 Å²	200	162.6 Å²	162.6	87%	0.87	82%	0.818	S	S	*	*				-176.8	129.4	109.6	-105	173.2	-177.3	175.6	0	116.7
39	K	27.9	Very low	32.6	Very low	175 Å²	175	160 Å²	160	76%	0.761	81%	0.81	S	S	*	*			trans	60.8	124.6	138	-85.8	-168.5	165.4	-162.5	0	123.6
40	F	24.9	Very low	33	Very low	185 Å²	185	157.6 Å²	157.6	81%	0.811	81%	0.811	S	S	*	*			trans	70	113.6	143.1	-81.4	-77	0	0	0	122.3
41	G	27.1	Very low	33.1	Very low	81 Å²	81	155.4 Å²	155.4	84%	0.835	81%	0.805	S	S	*	*				104.9	109.2	107.5	0	0	0	0	0	118
42	G	25.3	Very low	32.1	Very low	77 Å²	77	158 Å²	158	79%	0.794	81%	0.806	S	S	*	*			trans	158.4	131.4	168	0	0	0	0	0	112.7
43	Q	37.7	Very low	32.4	Very low	202 Å²	202	158.8 Å²	158.8	94%	0.944	81%	0.806	S	S	*	*			trans	-68.2	137.3	178.3	-65	155.7	-73.4	0	0	111.1
44	R	29	Very low	31.9	Very low	241 Å²	241	161.2 Å²	161.2	91%	0.909	81%	0.812	S	S	*	*			trans	-140.3	152.9	159.5	-93.7	-169.9	173.2	174.2	-1.6	111.6
45	S	34.1	Very low	32	Very low	99 Å²	99	156.5 Å²	156.5	69%	0.692	81%	0.805	S	S	*	*			trans	-68.8	131.7	-179.5	44.9	0	0	0	0	112.3	D47	S45-D47 VanDerWaalsContact C-N 3.32Å; S45-D47 PolarHBondContact O-N 3.03Å
46	T	32.4	Very low	32	Very low	144 Å²	144	159.2 Å²	159.2	88%	0.883	81%	0.813	S	S	*	*			trans	-89.5	68.6	168.6	55.2	0	0	0	0	110.4
47	D	41	Very low	32.4	Very low	129 Å²	129	159.8 Å²	159.8	69%	0.69	82%	0.815	S	S	*	*			trans	-93.5	152.4	154.7	-79.5	-57.2	0	0	0	108.3	S45	S45-D47 VanDerWaalsContact C-N 3.32Å; S45-D47 PolarHBondContact O-N 3.03Å
48	F	34.2	Very low	32.2	Very low	203 Å²	203	157.8 Å²	157.8	89%	0.89	81%	0.814	S	S	*	*	S	Bend	trans	70.4	113.4	-164.4	-58.6	-84.8	0	0	0	114.6
49	N	42.1	Very low	32.1	Very low	120 Å²	120	151.5 Å²	151.5	64%	0.642	81%	0.806	S	S	*	*			trans	-81.6	141.9	164.9	-168.8	42	0	0	0	109.5	D51	N49-D51 PolarHBondContact ND2-OD2 3.11Å
50	C	36.7	Very low	32.6	Very low	128 Å²	128	151.5 Å²	151.5	87%	0.865	81%	0.813	S	S	*	*	S	Bend	trans	-80.1	-17.2	-176.9	-64.4	0	0	0	0	113.9	F52	C50-F52 PolarHBondContact O-N 2.98Å
51	D	34.1	Very low	32.7	Very low	133 Å²	133	147.4 Å²	147.4	71%	0.711	81%	0.808	S	S	*	*			trans	-81	36.1	-177	-38.1	-47	0	0	0	113.4	N49	N49-D51 PolarHBondContact ND2-OD2 3.11Å
52	F	32.9	Very low	33.3	Very low	157 Å²	157	150.9 Å²	150.9	69%	0.689	81%	0.806	S	S	*	*			trans	-99.1	79.8	178.6	-167.8	-95.7	0	0	0	111.3	C50 F54	C50-F52 PolarHBondContact O-N 2.98Å; F52-F54 HydrophobicContact CD1-CD2 4.24Å; F52-F54 HydrophobicContact CD1-CE2 4.4Å; F52-F54 AromaticContact CE1-CD2 3.81Å; F52-F54 HydrophobicContact CE1-CD2 3.81Å; F52-F54 AromaticContact CE1-CE2 3.74Å; F52-F54 HydrophobicContact CE1-CE2 3.74Å; F52-F54 HydrophobicContact CE1-CZ 4.45Å
53	E	32.2	Very low	33.8	Very low	184 Å²	184	153.8 Å²	153.8	86%	0.86	80%	0.803	S	S	*	*			trans	-73.8	132.4	171	-66.4	-174.5	144	0	0	111.2	G55	E53-G55 PolarHBondContact O-N 3Å
54	F	29.9	Very low	33.7	Very low	192 Å²	192	148.6 Å²	148.6	84%	0.842	78%	0.782	S	S	*	*			trans	-78.3	83.9	173.5	-112.1	-88.7	0	0	0	109.8	F52 E56	F52-F54 HydrophobicContact CD1-CD2 4.24Å; F52-F54 HydrophobicContact CD1-CE2 4.4Å; F52-F54 AromaticContact CE1-CD2 3.81Å; F52-F54 HydrophobicContact CE1-CD2 3.81Å; F52-F54 AromaticContact CE1-CE2 3.74Å; F52-F54 HydrophobicContact CE1-CE2 3.74Å; F52-F54 HydrophobicContact CE1-CZ 4.45Å; F54-E56 PolarHBondContact O-N 3.27Å; F54-E56 VanDerWaalsContact O-N 3.11Å
55	G	28.9	Very low	34.5	Very low	73 Å²	73	139.5 Å²	139.5	75%	0.753	75%	0.752	S	S	*	*			trans	-62.8	110.3	174.5	0	0	0	0	0	111.7	E53	E53-G55 PolarHBondContact O-N 3Å
56	E	29.8	Very low	34.8	Very low	195 Å²	195	142.8 Å²	142.8	91%	0.911	75%	0.749	S	S	*	*			trans	-63.6	158.5	172.9	-67.4	-168.9	114.9	0	0	111.9	F54	F54-E56 PolarHBondContact O-N 3.27Å; F54-E56 VanDerWaalsContact O-N 3.11Å
57	R	37.8	Very low	35.4	Very low	236 Å²	236	136.9 Å²	136.9	89%	0.891	71%	0.714	S	S	*	*			trans	-91.5	116.7	172.2	-63.9	177.3	-177	165.9	0.9	109.4
58	D	30.6	Very low	35.7	Very low	160 Å²	160	133.4 Å²	133.4	86%	0.856	70%	0.695	S	S	*	*				-168.4	155.8	108.8	-99.6	-22.1	0	0	0	112.3
59	G	26.3	Very low	36.7	Very low	67 Å²	67	124.9 Å²	124.9	69%	0.691	66%	0.661	S	S	*	*			trans	156.4	80.4	-174	0	0	0	0	0	112.4	S61	G59-S61 PolarHBondContact O-N 2.81Å
60	L	37.6	Very low	37.2	Very low	176 Å²	176	121.1 Å²	121.1	92%	0.921	64%	0.64	S	S	*	*			trans	-78.2	79	-175.7	-73	168.4	0	0	0	113
61	S	26.8	Very low	38.2	Very low	99 Å²	99	115.8 Å²	115.8	69%	0.692	60%	0.604	S	S	*	*			trans	-85.2	109.3	161.8	58.9	0	0	0	0	110.4	G59 D63	G59-S61 PolarHBondContact O-N 2.81Å; S61-D63 PolarHBondContact O-N 2.97Å; S61-D63 VanDerWaalsContact O-N 3.1Å
62	L	39.6	Very low	39.1	Very low	153 Å²	153	110.7 Å²	110.7	80%	0.801	58%	0.576	S	S	*	*			trans	-86.2	70.9	-170.9	-169.4	103	0	0	0	112.7
63	D	35.3	Very low	40.2	Very low	138 Å²	138	110 Å²	110	74%	0.738	57%	0.573	S	S	*	*			trans	-114.4	143.5	179.8	-83.1	-62.2	0	0	0	114.6	S61 D65	S61-D63 PolarHBondContact O-N 2.97Å; S61-D63 VanDerWaalsContact O-N 3.1Å; D63-D65 PolarHBondContact O-N 3.41Å
64	D	36.1	Very low	41.2	Very low	93 Å²	93	107 Å²	107	50%	0.497	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.5	11.7	-166.1	-150.3	16.1	0	0	0	114.7	Q275	D64-Q275 PolarHBondContact OD1-NE2 3.48Å
65	D	46	Very low	42.1	Very low	50 Å²	50	99.3 Å²	99.3	27%	0.267	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-13.9	-158.1	-150.3	50.8	0	0	0	114.7	D63 A67 M68 S69 R471	D63-D65 PolarHBondContact O-N 3.41Å; D65-A67 PolarHBondContact O-N 3.1Å; D65-M68 PolarHBondContact O-N 3.48Å; D65-S69 PolarHBondContact O-N 2.85Å; D65-S69 VanDerWaalsContact O-N 3.13Å; D65-R471 IonicContact OD1-CZ 3.36Å; D65-R471 IonicContact OD1-NH1 3.04Å; D65-R471 IonicContact OD1-NH2 2.8Å; D65-R471 IonicContact OD2-CZ 3.81Å; D65-R471 IonicContact OD2-NH1 3.83Å; D65-R471 PolarHBondContact OD2-NH1 3.02Å; D65-R471 IonicContact OD2-NH2 3.41Å; D65-R471 PolarHBondContact OD2-NH2 3.14Å
66	W	40.6	Very low	42.8	Very low	169 Å²	169	104.1 Å²	104.1	64%	0.64	53%	0.527	S	S	*	.	H	α-helix	trans	-57.9	-45.5	-174.5	177.7	33	0	0	0	113	M68 S69 D70	W66-M68 PolarHBondContact O-N 3.41Å; W66-S69 WeakPolarHBondContact O-CB 3.38Å; W66-S69 PolarHBondContact O-N 3.02Å; W66-S69 VanDerWaalsContact O-N 3.11Å; W66-S69 PolarHBondContact O-OG 3.22Å; W66-D70 PolarHBondContact O-N 3.03Å; W66-D70 VanDerWaalsContact O-N 3.08Å
67	A	46	Very low	43.2	Very low	19 Å²	19	104.3 Å²	104.3	16%	0.157	53%	0.525	C	S	.	.	H	α-helix	trans	-64.8	-38.2	-172.8	0	0	0	0	0	113.4	D65 S271	D65-A67 PolarHBondContact O-N 3.1Å; A67-S271 WeakPolarHBondContact CB-OG 3.41Å
68	M	47.3	Very low	43.1	Very low	56 Å²	56	102.3 Å²	102.3	28%	0.276	52%	0.522	S	S	.	.	H	α-helix	trans	-73.5	-36	173.6	-163.5	68.6	73.5	0	0	111	D65 W66 D70 V71 L72 I267 L467	D65-M68 PolarHBondContact O-N 3.48Å; W66-M68 PolarHBondContact O-N 3.41Å; M68-D70 VanDerWaalsContact C-N 3.3Å; M68-D70 PolarHBondContact O-N 3.33Å; M68-V71 PolarHBondContact O-N 3.34Å; M68-L72 HydrophobicContact CG-CD1 3.93Å; M68-L72 HydrophobicContact CG-CG 4.44Å; M68-L72 WeakPolarHBondContact O-CB 3.38Å; M68-L72 VanDerWaalsContact O-CG 3.31Å; M68-L72 WeakPolarHBondContact O-CG 3.14Å; M68-L72 PolarHBondContact O-N 3.29Å; M68-I267 HydrophobicContact CE-CG2 4.33Å; M68-I267 HydrophobicContact SD-CG2 4.28Å; M68-L467 HydrophobicContact SD-CD2 4.13Å
69	S	54.2	Low	43.2	Very low	25 Å²	25	106.4 Å²	106.4	18%	0.175	53%	0.526	C	S	.	.	H	α-helix	trans	-60.9	-36	178.3	87.3	0	0	0	0	113.2	D65 W66 L72 K73	D65-S69 PolarHBondContact O-N 2.85Å; D65-S69 VanDerWaalsContact O-N 3.13Å; W66-S69 WeakPolarHBondContact O-CB 3.38Å; W66-S69 PolarHBondContact O-N 3.02Å; W66-S69 VanDerWaalsContact O-N 3.11Å; W66-S69 PolarHBondContact O-OG 3.22Å; S69-L72 PolarHBondContact O-N 3.39Å; S69-K73 WeakPolarHBondContact O-CB 3.29Å; S69-K73 VanDerWaalsContact O-CG 3.23Å; S69-K73 WeakPolarHBondContact O-CG 3.32Å; S69-K73 PolarHBondContact O-N 3.2Å
70	D	52.6	Low	43.7	Very low	40 Å²	40	109.6 Å²	109.6	21%	0.214	53%	0.532	C	S	.	.	H	α-helix	trans	-68.6	-46	-178.7	-164.7	21.8	0	0	0	111.1	W66 M68 L72 K73 Q74 R274	W66-D70 PolarHBondContact O-N 3.03Å; W66-D70 VanDerWaalsContact O-N 3.08Å; M68-D70 VanDerWaalsContact C-N 3.3Å; M68-D70 PolarHBondContact O-N 3.33Å; D70-L72 PolarHBondContact O-N 2.98Å; D70-K73 PolarHBondContact O-N 2.91Å; D70-Q74 PolarHBondContact O-N 3.32Å; D70-R274 IonicContact OD2-CZ 3.38Å; D70-R274 IonicContact OD2-NH1 2.72Å; D70-R274 PolarHBondContact OD2-NH1 2.94Å; D70-R274 IonicContact OD2-NH2 3.08Å; D70-R274 PolarHBondContact OD2-NH2 3.2Å; D70-R274 VanDerWaalsContact OD2-NH2 3.08Å
71	V	56.7	Low	43.7	Very low	17 Å²	17	106.8 Å²	106.8	10%	0.103	52%	0.517	C	S	.	.	H	α-helix	trans	-60.9	-44.6	172.3	179.3	0	0	0	0	110.8	M68 K73 Q74 L75 L291	M68-V71 PolarHBondContact O-N 3.34Å; V71-K73 PolarHBondContact O-N 3.32Å; V71-Q74 PolarHBondContact O-N 3.05Å; V71-L75 HydrophobicContact CG1-CD1 3.86Å; V71-L75 VanDerWaalsContact O-CG 3.26Å; V71-L75 WeakPolarHBondContact O-CG 3.45Å; V71-L75 PolarHBondContact O-N 3.28Å; V71-L291 HydrophobicContact CG1-CD2 3.9Å
72	L	53.3	Low	44.7	Very low	25 Å²	25	104.7 Å²	104.7	13%	0.131	50%	0.501	C	S	.	.	H	α-helix	trans	-65.6	-35	177.5	-72.7	167.6	0	0	0	113	M68 S69 D70 L75 K76	M68-L72 HydrophobicContact CG-CD1 3.93Å; M68-L72 HydrophobicContact CG-CG 4.44Å; M68-L72 WeakPolarHBondContact O-CB 3.38Å; M68-L72 VanDerWaalsContact O-CG 3.31Å; M68-L72 WeakPolarHBondContact O-CG 3.14Å; M68-L72 PolarHBondContact O-N 3.29Å; S69-L72 PolarHBondContact O-N 3.39Å; D70-L72 PolarHBondContact O-N 2.98Å; L72-L75 PolarHBondContact O-N 2.98Å; L72-K76 WeakPolarHBondContact O-CG 3.49Å; L72-K76 PolarHBondContact O-N 2.95Å
73	K	57.3	Low	46.1	Very low	143 Å²	143	99.7 Å²	99.7	62%	0.622	48%	0.476	S	S	*	.	H	α-helix	trans	-62	-43.6	174.5	-80.7	165.1	179	172.1	0	111.5	S69 D70 V71 L75	S69-K73 WeakPolarHBondContact O-CB 3.29Å; S69-K73 VanDerWaalsContact O-CG 3.23Å; S69-K73 WeakPolarHBondContact O-CG 3.32Å; S69-K73 PolarHBondContact O-N 3.2Å; D70-K73 PolarHBondContact O-N 2.91Å; V71-K73 PolarHBondContact O-N 3.32Å; K73-L75 VanDerWaalsContact C-N 3.25Å; K73-L75 PolarHBondContact O-N 3.08Å
74	Q	52.9	Low	48.1	Very low	121 Å²	121	94.3 Å²	94.3	57%	0.565	45%	0.448	S	S	*	.	H	α-helix	trans	-64.9	-29.3	174.9	-64.2	-177.1	15.4	0	0	112.7	D70 V71	D70-Q74 PolarHBondContact O-N 3.32Å; V71-Q74 PolarHBondContact O-N 3.05Å
75	L	48.7	Very low	50.1	Low	30 Å²	30	92.7 Å²	92.7	16%	0.157	44%	0.439	C	S	.	.	H	α-helix	trans	-89.8	-14.5	-176.2	-68.8	172.9	0	0	0	115.2	V71 L72 K73 K77 L291 L467	V71-L75 HydrophobicContact CG1-CD1 3.86Å; V71-L75 VanDerWaalsContact O-CG 3.26Å; V71-L75 WeakPolarHBondContact O-CG 3.45Å; V71-L75 PolarHBondContact O-N 3.28Å; L72-L75 PolarHBondContact O-N 2.98Å; K73-L75 VanDerWaalsContact C-N 3.25Å; K73-L75 PolarHBondContact O-N 3.08Å; L75-K77 PolarHBondContact O-N 3.08Å; L75-K77 VanDerWaalsContact O-N 3.07Å; L75-L291 HydrophobicContact CD1-CD2 3.94Å; L75-L291 HydrophobicContact CD2-CD2 4.04Å; L75-L291 HydrophobicContact CG-CD2 4.3Å; L75-L467 HydrophobicContact CD1-CD1 4.33Å
76	K	43.4	Very low	51.7	Low	174 Å²	174	94.6 Å²	94.6	76%	0.757	45%	0.446	S	S	*	.			trans	-70.4	1.3	-171.5	-99	-178.7	176.9	-175.2	0	116.5	L72 K78	L72-K76 WeakPolarHBondContact O-CG 3.49Å; L72-K76 PolarHBondContact O-N 2.95Å; K76-K78 PolarHBondContact O-N 2.97Å
77	K	38.8	Very low	53.6	Low	200 Å²	200	87.4 Å²	87.4	87%	0.87	42%	0.419	S	S	*	.			trans	-87.8	26.1	-165.1	-132.9	172.2	-174	175.9	0	116.6	L75	L75-K77 PolarHBondContact O-N 3.08Å; L75-K77 VanDerWaalsContact O-N 3.07Å
78	K	35.9	Very low	55.4	Low	193 Å²	193	86.9 Å²	86.9	84%	0.839	41%	0.414	S	S	*	.	S	Bend	trans	-137.7	140.5	172.2	-71.7	-171.8	177.9	179.6	0	111.7	K76	K76-K78 PolarHBondContact O-N 2.97Å
79	R	32.3	Very low	57.1	Low	247 Å²	247	88.8 Å²	88.8	93%	0.932	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-58.5	139.6	176.8	-71.4	178.1	171.2	171	-4.4	110.7
80	T	36.1	Very low	58.5	Low	134 Å²	134	93.6 Å²	93.6	82%	0.822	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-75.3	128	178.8	47.9	0	0	0	0	111.4
81	L	37.8	Very low	60	Low	116 Å²	116	92.5 Å²	92.5	61%	0.607	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-64.5	161	158.4	-69.1	84	0	0	0	109.3	T83 E584	L81-T83 PolarHBondContact O-N 2.77Å; L81-E584 HydrophobicContact CD2-CG 4.45Å
82	T	48	Very low	61.2	Low	56 Å²	56	95.8 Å²	95.8	34%	0.344	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-61.6	130.3	177.6	58	0	0	0	0	110.6	E584	T82-E584 PolarHBondContact OG1-OE1 2.97Å
83	T	68.3	Low	62.7	Low	47 Å²	47	100.5 Å²	100.5	29%	0.288	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-71	153.2	-176.6	67.3	0	0	0	0	110.8	L81 D85 Q86 K87	L81-T83 PolarHBondContact O-N 2.77Å; T83-D85 PolarHBondContact O-N 3.33Å; T83-D85 PolarHBondContact OG1-OD2 3.34Å; T83-Q86 WeakPolarHBondContact O-CB 3.34Å; T83-Q86 PolarHBondContact O-N 2.63Å; T83-Q86 WeakPolarHBondContact OG1-CG 3.17Å; T83-K87 PolarHBondContact O-N 3.5Å
84	L	77.4	Confident	64	Low	26 Å²	26	99.8 Å²	99.8	14%	0.136	46%	0.461	C	S	.	.	H	α-helix	trans	-52.2	-40.7	177.8	-174.7	59.2	0	0	0	111.4	Q86 K87 I88 H441 H444 I445 V577 E581	L84-Q86 VanDerWaalsContact C-N 3.33Å; L84-Q86 PolarHBondContact O-N 3.15Å; L84-K87 WeakPolarHBondContact O-CB 3.48Å; L84-K87 PolarHBondContact O-N 2.95Å; L84-I88 HydrophobicContact CG-CD1 4.14Å; L84-I88 WeakPolarHBondContact O-CG1 3.44Å; L84-I88 PolarHBondContact O-N 2.95Å; L84-H441 VanDerWaalsContact CD2-CE1 3.47Å; L84-H441 WeakPolarHBondContact CD2-CE1 3.46Å; L84-H444 WeakPolarHBondContact CD2-CD2 3.48Å; L84-I445 HydrophobicContact CD1-CG1 4.38Å; L84-V577 HydrophobicContact CD1-CG1 4.27Å; L84-E581 HydrophobicContact CD1-CG 4.37Å
85	D	78.4	Confident	65.4	Low	58 Å²	58	96.7 Å²	96.7	31%	0.31	45%	0.445	S	S	.	.	H	α-helix	trans	-60.3	-37.5	177.3	-27.6	-61.8	0	0	0	112.5	T83 K87 I88 E89 H444 R472	T83-D85 PolarHBondContact O-N 3.33Å; T83-D85 PolarHBondContact OG1-OD2 3.34Å; D85-K87 VanDerWaalsContact C-N 3.34Å; D85-I88 PolarHBondContact O-N 3.48Å; D85-E89 WeakPolarHBondContact O-CB 3.3Å; D85-E89 PolarHBondContact O-N 3.29Å; D85-H444 IonicContact OD1-NE2 3.55Å; D85-H444 PolarHBondContact OD1-NE2 3.16Å; D85-R472 IonicContact OD2-NH1 3.32Å
86	Q	81.1	Confident	67	Low	91 Å²	91	101.8 Å²	101.8	43%	0.425	47%	0.465	S	S	.	.	H	α-helix	trans	-68.1	-32.2	174.9	-68.1	170.7	-9.4	0	0	112.1	T83 L84 K90	T83-Q86 WeakPolarHBondContact O-CB 3.34Å; T83-Q86 PolarHBondContact O-N 2.63Å; T83-Q86 WeakPolarHBondContact OG1-CG 3.17Å; L84-Q86 VanDerWaalsContact C-N 3.33Å; L84-Q86 PolarHBondContact O-N 3.15Å; Q86-K90 WeakPolarHBondContact O-CB 3.48Å; Q86-K90 VanDerWaalsContact O-CG 3.25Å; Q86-K90 WeakPolarHBondContact O-CG 3.34Å; Q86-K90 PolarHBondContact O-N 3.43Å
87	K	80.3	Confident	68.9	Low	17 Å²	17	96.4 Å²	96.4	7%	0.074	45%	0.453	C	S	.	.	H	α-helix	trans	-70.1	-45.2	173.8	-57.2	-174.5	-175.9	-176.7	0	110.8	T83 L84 D85 E89 K90 V91 L580 E584	T83-K87 PolarHBondContact O-N 3.5Å; L84-K87 WeakPolarHBondContact O-CB 3.48Å; L84-K87 PolarHBondContact O-N 2.95Å; D85-K87 VanDerWaalsContact C-N 3.34Å; K87-E89 VanDerWaalsContact C-N 3.33Å; K87-E89 PolarHBondContact O-N 2.93Å; K87-K90 PolarHBondContact O-N 2.94Å; K87-V91 PolarHBondContact O-N 3.25Å; K87-L580 PolarHBondContact NZ-O 2.72Å; K87-E584 VanDerWaalsContact CE-OE2 3.29Å; K87-E584 WeakPolarHBondContact CE-OE2 3.36Å; K87-E584 IonicContact NZ-OE2 2.79Å; K87-E584 PolarHBondContact NZ-OE2 3.03Å
88	I	82.5	Confident	70.8	Confident	8 Å²	8	91 Å²	91	4%	0.041	43%	0.431	C	S	.	.	H	α-helix	trans	-57.7	-47.6	174	-67.9	167.4	0	0	0	109.7	L84 D85 K90 V91 R92 I445 L449 V577	L84-I88 HydrophobicContact CG-CD1 4.14Å; L84-I88 WeakPolarHBondContact O-CG1 3.44Å; L84-I88 PolarHBondContact O-N 2.95Å; D85-I88 PolarHBondContact O-N 3.48Å; I88-K90 PolarHBondContact O-N 2.92Å; I88-V91 PolarHBondContact O-N 3.41Å; I88-R92 HydrophobicContact CG2-CG 4.47Å; I88-R92 VanDerWaalsContact O-CG 3.27Å; I88-R92 WeakPolarHBondContact O-CG 3.2Å; I88-R92 PolarHBondContact O-N 3.02Å; I88-I445 HydrophobicContact CD1-CG1 4.45Å; I88-L449 HydrophobicContact CG2-CD2 4.14Å; I88-L449 HydrophobicContact CG2-CG 4.31Å; I88-V577 HydrophobicContact CG1-CG1 4.35Å
89	E	82.8	Confident	72.9	Confident	96 Å²	96	85.7 Å²	85.7	45%	0.449	41%	0.409	S	S	.	.	H	α-helix	trans	-63.8	-39.1	178.6	-155	-151.1	-176.7	0	0	112.7	D85 K87 R92 K93	D85-E89 WeakPolarHBondContact O-CB 3.3Å; D85-E89 PolarHBondContact O-N 3.29Å; K87-E89 VanDerWaalsContact C-N 3.33Å; K87-E89 PolarHBondContact O-N 2.93Å; E89-R92 PolarHBondContact O-N 3.39Å; E89-K93 VanDerWaalsContact CD-CE 3.48Å; E89-K93 HydrophobicContact CG-CD 4.34Å; E89-K93 WeakPolarHBondContact O-CB 3.39Å; E89-K93 WeakPolarHBondContact O-CG 3.38Å; E89-K93 PolarHBondContact O-N 2.86Å; E89-K93 WeakPolarHBondContact OE1-CE 3.49Å; E89-K93 IonicContact OE1-NZ 2.63Å; E89-K93 PolarHBondContact OE1-NZ 3.14Å; E89-K93 IonicContact OE2-NZ 3.55Å; E89-K93 PolarHBondContact OE2-NZ 3.41Å
90	K	83.4	Confident	75	Confident	126 Å²	126	81.2 Å²	81.2	55%	0.548	40%	0.397	S	S	.	.	H	α-helix	trans	-59.6	-46	173	-78.7	170.4	-178.7	179.3	0	112.1	Q86 K87 I88 K93 K94	Q86-K90 WeakPolarHBondContact O-CB 3.48Å; Q86-K90 VanDerWaalsContact O-CG 3.25Å; Q86-K90 WeakPolarHBondContact O-CG 3.34Å; Q86-K90 PolarHBondContact O-N 3.43Å; K87-K90 PolarHBondContact O-N 2.94Å; I88-K90 PolarHBondContact O-N 2.92Å; K90-K93 PolarHBondContact O-N 3.08Å; K90-K94 PolarHBondContact O-N 3.08Å
91	V	84.1	Confident	76.7	Confident	17 Å²	17	78.1 Å²	78.1	10%	0.103	38%	0.38	C	S	.	.	H	α-helix	trans	-64.8	-43.5	177.3	172.7	0	0	0	0	110.8	K87 I88 K93 K94 R95 L449 D573 V577	K87-V91 PolarHBondContact O-N 3.25Å; I88-V91 PolarHBondContact O-N 3.41Å; V91-K93 VanDerWaalsContact C-N 3.32Å; V91-K93 PolarHBondContact O-N 3.11Å; V91-K94 PolarHBondContact O-N 2.72Å; V91-R95 WeakPolarHBondContact O-CB 3.44Å; V91-R95 PolarHBondContact O-N 2.74Å; V91-L449 HydrophobicContact CB-CD2 4.48Å; V91-L449 HydrophobicContact CG1-CD2 4.12Å; V91-D573 HydrophobicContact CG1-CB 3.9Å; V91-V577 HydrophobicContact CB-CG2 4.21Å; V91-V577 HydrophobicContact CG1-CG2 4.49Å; V91-V577 HydrophobicContact CG2-CG2 3.75Å
92	R	82.8	Confident	78.1	Confident	87 Å²	87	74.9 Å²	74.9	33%	0.328	37%	0.367	S	S	.	.	H	α-helix	trans	-62.1	-36.1	174.7	-64.8	178.2	99.9	-147.7	1.3	112.9	I88 E89 K96 G448 L449 L450 G451	I88-R92 HydrophobicContact CG2-CG 4.47Å; I88-R92 VanDerWaalsContact O-CG 3.27Å; I88-R92 WeakPolarHBondContact O-CG 3.2Å; I88-R92 PolarHBondContact O-N 3.02Å; E89-R92 PolarHBondContact O-N 3.39Å; R92-K96 WeakPolarHBondContact O-CB 3.4Å; R92-K96 WeakPolarHBondContact O-CG 3.39Å; R92-K96 PolarHBondContact O-N 3.22Å; R92-G448 PolarHBondContact NE-O 3.36Å; R92-L449 HydrophobicContact CG-CD2 3.87Å; R92-L449 PolarHBondContact NE-O 3.29Å; R92-L449 PolarHBondContact NH2-O 2.7Å; R92-L450 PolarHBondContact NH2-O 3.4Å; R92-L450 VanDerWaalsContact NH2-O 3.12Å; R92-G451 VanDerWaalsContact NH1-CA 3.29Å
93	K	84.2	Confident	78.5	Confident	123 Å²	123	78.4 Å²	78.4	54%	0.535	38%	0.38	S	S	.	.	H	α-helix	trans	-69	-43.3	174.1	-79.9	167.9	172.1	165.6	0	111.9	E89 K90 V91 K96 A97	E89-K93 VanDerWaalsContact CD-CE 3.48Å; E89-K93 HydrophobicContact CG-CD 4.34Å; E89-K93 WeakPolarHBondContact O-CB 3.39Å; E89-K93 WeakPolarHBondContact O-CG 3.38Å; E89-K93 PolarHBondContact O-N 2.86Å; E89-K93 WeakPolarHBondContact OE1-CE 3.49Å; E89-K93 IonicContact OE1-NZ 2.63Å; E89-K93 PolarHBondContact OE1-NZ 3.14Å; E89-K93 IonicContact OE2-NZ 3.55Å; E89-K93 PolarHBondContact OE2-NZ 3.41Å; K90-K93 PolarHBondContact O-N 3.08Å; V91-K93 VanDerWaalsContact C-N 3.32Å; V91-K93 PolarHBondContact O-N 3.11Å; K93-K96 PolarHBondContact O-N 2.61Å; K93-A97 PolarHBondContact O-N 2.65Å; K93-A97 VanDerWaalsContact O-N 3.12Å
94	K	85	Confident	77.8	Confident	129 Å²	129	79.4 Å²	79.4	56%	0.561	39%	0.389	S	S	*	.	H	α-helix	trans	-60.3	-51.5	174.7	-176.4	174.6	-177.8	-80.7	0	111.1	K90 V91 K96 A97 E98	K90-K94 PolarHBondContact O-N 3.08Å; V91-K94 PolarHBondContact O-N 2.72Å; K94-K96 VanDerWaalsContact C-N 3.34Å; K94-K96 PolarHBondContact O-N 2.98Å; K94-A97 WeakPolarHBondContact O-CA 3.46Å; K94-A97 WeakPolarHBondContact O-CB 3.48Å; K94-A97 PolarHBondContact O-N 2.99Å; K94-E98 WeakPolarHBondContact CE-OE1 3.42Å; K94-E98 IonicContact NZ-OE1 3.1Å; K94-E98 PolarHBondContact NZ-OE1 3.14Å; K94-E98 IonicContact NZ-OE2 3.4Å; K94-E98 PolarHBondContact O-N 3.46Å
95	R	81.6	Confident	76.4	Confident	56 Å²	56	81.6 Å²	81.6	21%	0.211	41%	0.406	C	S	.	.	H	α-helix	trans	-57.9	-42.1	176.7	176.4	173.1	168.8	138.4	13.2	112.8	V91 A97 E98 E99 K569 D573	V91-R95 WeakPolarHBondContact O-CB 3.44Å; V91-R95 PolarHBondContact O-N 2.74Å; R95-A97 PolarHBondContact O-N 2.98Å; R95-E98 PolarHBondContact O-N 3.47Å; R95-E99 HydrophobicContact CG-CG 4.17Å; R95-E99 IonicContact CZ-OE1 2.67Å; R95-E99 VanDerWaalsContact CZ-OE1 3.23Å; R95-E99 IonicContact NE-OE1 3.95Å; R95-E99 PolarHBondContact NE-OE1 3.32Å; R95-E99 IonicContact NE-OE2 3.4Å; R95-E99 IonicContact NH2-OE1 3Å; R95-E99 PolarHBondContact NH2-OE1 2.96Å; R95-E99 WeakPolarHBondContact O-CB 3.46Å; R95-E99 WeakPolarHBondContact O-CG 3.39Å; R95-E99 PolarHBondContact O-N 3.43Å; R95-K569 PolarHBondContact NH1-O 2.72Å; R95-D573 VanDerWaalsContact CD-OD2 3.29Å; R95-D573 WeakPolarHBondContact CD-OD2 3.23Å; R95-D573 IonicContact CZ-OD2 3.35Å; R95-D573 IonicContact NE-OD2 2.74Å; R95-D573 IonicContact NH1-OD2 3.44Å; R95-D573 PolarHBondContact NH1-OD2 2.81Å
96	K	82.8	Confident	74.8	Confident	137 Å²	137	85.6 Å²	85.6	60%	0.596	42%	0.423	S	S	*	.	H	α-helix	trans	-66.9	-19.5	174.2	-80	-175.5	174.8	-169.7	0	114.4	R92 K93 K94 K100	R92-K96 WeakPolarHBondContact O-CB 3.4Å; R92-K96 WeakPolarHBondContact O-CG 3.39Å; R92-K96 PolarHBondContact O-N 3.22Å; K93-K96 PolarHBondContact O-N 2.61Å; K94-K96 VanDerWaalsContact C-N 3.34Å; K94-K96 PolarHBondContact O-N 2.98Å; K96-K100 WeakPolarHBondContact O-CB 3.31Å; K96-K100 VanDerWaalsContact O-CG 3.27Å; K96-K100 WeakPolarHBondContact O-CG 3.5Å
97	A	82.6	Confident	72.8	Confident	60 Å²	60	84.7 Å²	84.7	50%	0.496	43%	0.431	S	S	.	.	H	α-helix	trans	-81.7	-40.7	169.5	0	0	0	0	0	110.7	K93 K94 R95 K100 S101	K93-A97 PolarHBondContact O-N 2.65Å; K93-A97 VanDerWaalsContact O-N 3.12Å; K94-A97 WeakPolarHBondContact O-CA 3.46Å; K94-A97 WeakPolarHBondContact O-CB 3.48Å; K94-A97 PolarHBondContact O-N 2.99Å; R95-A97 PolarHBondContact O-N 2.98Å; A97-K100 PolarHBondContact O-N 3.31Å; A97-S101 PolarHBondContact O-N 3.15Å; A97-S101 PolarHBondContact O-OG 3.41Å
98	E	80.6	Confident	70.8	Confident	87 Å²	87	92.4 Å²	92.4	41%	0.407	47%	0.467	S	S	.	.	H	α-helix	trans	-63.1	-51	176.3	-68.9	168.9	156.9	0	0	111.8	K94 R95 K100 S101 S102	K94-E98 WeakPolarHBondContact CE-OE1 3.42Å; K94-E98 IonicContact NZ-OE1 3.1Å; K94-E98 PolarHBondContact NZ-OE1 3.14Å; K94-E98 IonicContact NZ-OE2 3.4Å; K94-E98 PolarHBondContact O-N 3.46Å; R95-E98 PolarHBondContact O-N 3.47Å; E98-K100 PolarHBondContact O-N 3.18Å; E98-S101 WeakPolarHBondContact CA-OG 3.47Å; E98-S101 PolarHBondContact O-N 2.98Å; E98-S101 PolarHBondContact O-OG 2.75Å; E98-S102 PolarHBondContact O-N 3.37Å; E98-S102 PolarHBondContact O-OG 3.38Å
99	E	79.2	Confident	68.6	Low	81 Å²	81	95.1 Å²	95.1	38%	0.379	50%	0.497	S	S	.	.	H	α-helix	trans	-59.6	-30.7	175.3	-71.7	173.8	160.9	0	0	112.4	R95 S102 Q103	R95-E99 HydrophobicContact CG-CG 4.17Å; R95-E99 IonicContact CZ-OE1 2.67Å; R95-E99 VanDerWaalsContact CZ-OE1 3.23Å; R95-E99 IonicContact NE-OE1 3.95Å; R95-E99 PolarHBondContact NE-OE1 3.32Å; R95-E99 IonicContact NE-OE2 3.4Å; R95-E99 IonicContact NH2-OE1 3Å; R95-E99 PolarHBondContact NH2-OE1 2.96Å; R95-E99 WeakPolarHBondContact O-CB 3.46Å; R95-E99 WeakPolarHBondContact O-CG 3.39Å; R95-E99 PolarHBondContact O-N 3.43Å; E99-S102 PolarHBondContact O-OG 3.26Å; E99-S102 VanDerWaalsContact O-OG 3.06Å; E99-Q103 VanDerWaalsContact O-CG 3.3Å; E99-Q103 WeakPolarHBondContact O-CG 3.39Å; E99-Q103 PolarHBondContact O-N 3.15Å
100	K	76.8	Confident	66.1	Low	154 Å²	154	95.1 Å²	95.1	67%	0.67	51%	0.508	S	S	*	.	H	α-helix	trans	-74.2	-40.9	171.8	-83.5	-175	170.6	-160.3	0	112.5	K96 A97 E98 S102 Q103 S104	K96-K100 WeakPolarHBondContact O-CB 3.31Å; K96-K100 VanDerWaalsContact O-CG 3.27Å; K96-K100 WeakPolarHBondContact O-CG 3.5Å; A97-K100 PolarHBondContact O-N 3.31Å; E98-K100 PolarHBondContact O-N 3.18Å; K100-S102 VanDerWaalsContact C-N 3.35Å; K100-Q103 PolarHBondContact O-N 2.73Å; K100-S104 PolarHBondContact O-N 3.34Å; K100-S104 PolarHBondContact O-OG 3.44Å
101	S	71	Confident	63.7	Low	68 Å²	68	97.7 Å²	97.7	48%	0.476	52%	0.522	S	S	.	.	H	α-helix	trans	-65.9	-37	179.8	64.4	0	0	0	0	112.3	A97 E98 S104 S105	A97-S101 PolarHBondContact O-N 3.15Å; A97-S101 PolarHBondContact O-OG 3.41Å; E98-S101 WeakPolarHBondContact CA-OG 3.47Å; E98-S101 PolarHBondContact O-N 2.98Å; E98-S101 PolarHBondContact O-OG 2.75Å; S101-S104 WeakPolarHBondContact CA-OG 3.49Å; S101-S104 PolarHBondContact O-N 3.26Å; S101-S104 PolarHBondContact O-OG 3.48Å; S101-S105 PolarHBondContact O-N 2.96Å; S101-S105 VanDerWaalsContact O-N 3.15Å; S101-S105 PolarHBondContact O-OG 2.79Å
102	S	66.8	Low	61	Low	48 Å²	48	105.6 Å²	105.6	34%	0.336	56%	0.56	S	S	.	*	H	α-helix	trans	-67	-40.3	172.7	57.8	0	0	0	0	111.8	E98 E99 K100 S104 S105 E106	E98-S102 PolarHBondContact O-N 3.37Å; E98-S102 PolarHBondContact O-OG 3.38Å; E99-S102 PolarHBondContact O-OG 3.26Å; E99-S102 VanDerWaalsContact O-OG 3.06Å; K100-S102 VanDerWaalsContact C-N 3.35Å; S102-S104 VanDerWaalsContact C-N 3.33Å; S102-S104 PolarHBondContact O-N 3.03Å; S102-S105 WeakPolarHBondContact CA-OG 3.31Å; S102-S105 PolarHBondContact O-N 3.31Å; S102-S105 PolarHBondContact O-OG 2.98Å; S102-E106 WeakPolarHBondContact O-CB 3.4Å; S102-E106 WeakPolarHBondContact O-CG 3.49Å; S102-E106 PolarHBondContact O-N 3.39Å
103	Q	57.1	Low	58.3	Low	131 Å²	131	108.9 Å²	108.9	61%	0.612	58%	0.576	S	S	*	*	H	α-helix	trans	-66.4	-30.7	176.2	-76.9	-178	-23.6	0	0	113.4	E99 K100 A107	E99-Q103 VanDerWaalsContact O-CG 3.3Å; E99-Q103 WeakPolarHBondContact O-CG 3.39Å; E99-Q103 PolarHBondContact O-N 3.15Å; K100-Q103 PolarHBondContact O-N 2.73Å; Q103-A107 WeakPolarHBondContact O-CB 3.31Å; Q103-A107 PolarHBondContact O-N 3.07Å
104	S	53.2	Low	55.6	Low	68 Å²	68	111.9 Å²	111.9	48%	0.476	59%	0.592	S	S	.	*	H	α-helix	trans	-69.5	-40.9	169.6	41	0	0	0	0	112.6	K100 S101 S102 A107 E108	K100-S104 PolarHBondContact O-N 3.34Å; K100-S104 PolarHBondContact O-OG 3.44Å; S101-S104 WeakPolarHBondContact CA-OG 3.49Å; S101-S104 PolarHBondContact O-N 3.26Å; S101-S104 PolarHBondContact O-OG 3.48Å; S102-S104 VanDerWaalsContact C-N 3.33Å; S102-S104 PolarHBondContact O-N 3.03Å; S104-A107 PolarHBondContact O-N 2.82Å; S104-E108 PolarHBondContact O-N 2.8Å
105	S	47.5	Very low	52.8	Low	72 Å²	72	113.2 Å²	113.2	50%	0.503	60%	0.601	S	S	.	*	H	α-helix	trans	-70.7	-30.4	177.3	52	0	0	0	0	113.7	S101 S102 A107 G109	S101-S105 PolarHBondContact O-N 2.96Å; S101-S105 VanDerWaalsContact O-N 3.15Å; S101-S105 PolarHBondContact O-OG 2.79Å; S102-S105 WeakPolarHBondContact CA-OG 3.31Å; S102-S105 PolarHBondContact O-N 3.31Å; S102-S105 PolarHBondContact O-OG 2.98Å; S105-A107 VanDerWaalsContact C-N 3.31Å; S105-G109 PolarHBondContact O-N 3.02Å
106	E	46.6	Very low	50.2	Low	142 Å²	142	119.7 Å²	119.7	66%	0.664	63%	0.633	S	S	*	*	H	α-helix	trans	-71.8	-26.2	173.3	-73.1	172	166.2	0	0	112	S102	S102-E106 WeakPolarHBondContact O-CB 3.4Å; S102-E106 WeakPolarHBondContact O-CG 3.49Å; S102-E106 PolarHBondContact O-N 3.39Å
107	A	37.9	Very low	47.4	Very low	71 Å²	71	121.8 Å²	121.8	59%	0.587	65%	0.645	S	S	*	*	H	α-helix	trans	-80.8	-23.6	177.4	0	0	0	0	0	114.1	Q103 S104 S105	Q103-A107 WeakPolarHBondContact O-CB 3.31Å; Q103-A107 PolarHBondContact O-N 3.07Å; S104-A107 PolarHBondContact O-N 2.82Å; S105-A107 VanDerWaalsContact C-N 3.31Å
108	E	38.5	Very low	44.7	Very low	179 Å²	179	127.3 Å²	127.3	84%	0.836	66%	0.661	S	S	*	*	S	Bend	trans	-92.4	-5.7	175.2	-67.6	-177.8	158	0	0	113	S104	S104-E108 PolarHBondContact O-N 2.8Å
109	G	35.6	Very low	42.1	Very low	65 Å²	65	131.2 Å²	131.2	67%	0.67	68%	0.679	S	S	*	*	S	Bend	trans	-97.9	7.8	-175.5	0	0	0	0	0	116.4	S105	S105-G109 PolarHBondContact O-N 3.02Å
110	S	30.6	Very low	39.8	Very low	96 Å²	96	133.8 Å²	133.8	67%	0.671	70%	0.703	S	S	*	*			trans	-104.7	16.6	-167.4	58.6	0	0	0	0	116.2
111	E	32.7	Very low	37.3	Very low	180 Å²	180	130.4 Å²	130.4	84%	0.841	70%	0.704	S	S	*	*			trans	-134.1	91.7	169.3	-71.3	-168.2	168.1	0	0	111.9
112	M	27.2	Very low	35.1	Very low	183 Å²	183	133.6 Å²	133.6	90%	0.901	72%	0.715	S	S	*	*			trans	178.1	126.7	131.4	-98.5	178.3	-161	0	0	113.7
113	K	27.4	Very low	33.2	Very low	156 Å²	156	141.5 Å²	141.5	68%	0.678	74%	0.738	S	S	*	*			trans	59.4	117	153.6	-82.7	176	154.4	-89.1	0	121.1	E115	K113-E115 IonicContact NZ-OE1 3.89Å; K113-E115 PolarHBondContact NZ-OE1 2.74Å; K113-E115 IonicContact NZ-OE2 3.59Å; K113-E115 PolarHBondContact NZ-OE2 3.13Å
114	E	27.3	Very low	31.8	Very low	186 Å²	186	140.7 Å²	140.7	87%	0.869	74%	0.738	S	S	*	*			trans	-73.1	150	142.2	-57.7	157.3	135.9	0	0	110
115	E	26.5	Very low	30.7	Very low	158 Å²	158	145.9 Å²	145.9	74%	0.738	75%	0.754	S	S	*	*			trans	-167	152.5	153.9	-112.5	140.1	-138.6	0	0	108.2	K113	K113-E115 IonicContact NZ-OE1 3.89Å; K113-E115 PolarHBondContact NZ-OE1 2.74Å; K113-E115 IonicContact NZ-OE2 3.59Å; K113-E115 PolarHBondContact NZ-OE2 3.13Å
116	E	26.3	Very low	29.8	Very low	192 Å²	192	149.5 Å²	149.5	90%	0.897	76%	0.763	S	S	*	*			trans	-106	-166.2	-168.2	-61.6	-176.5	110.9	0	0	113.2
117	E	25.1	Very low	28.9	Very low	180 Å²	180	149.8 Å²	149.8	84%	0.841	77%	0.77	S	S	*	*			trans	72.9	147.3	172.6	-55.4	179.3	173.7	0	0	116.5
118	E	25.1	Very low	28.5	Very low	176 Å²	176	154.6 Å²	154.6	82%	0.822	78%	0.78	S	S	*	*			cis	-156.7	170.1	-20.4	-117.4	-169.3	168.2	0	0	108.9
119	E	26.5	Very low	28.1	Very low	170 Å²	170	152.8 Å²	152.8	79%	0.794	78%	0.776	S	S	*	*			trans	-79.1	162.8	168.1	-69.3	-166.2	158.4	0	0	112.2
120	P	29.5	Very low	27.7	Very low	134 Å²	134	153.2 Å²	153.2	87%	0.87	78%	0.78	S	S	*	*				-142	167.9	110.1	38	-25.7	0	0	0	115
121	A	25.3	Very low	27.6	Very low	84 Å²	84	155.4 Å²	155.4	69%	0.694	78%	0.784	S	S	*	*			trans	-123.1	161.7	-167.9	0	0	0	0	0	115.4
122	D	25	Very low	27.4	Very low	134 Å²	134	156.4 Å²	156.4	72%	0.717	79%	0.789	S	S	*	*			trans	-162.9	128.8	143.3	-104.8	-13.8	0	0	0	107.7
123	R	26.9	Very low	27.5	Very low	214 Å²	214	156.4 Å²	156.4	81%	0.808	79%	0.787	S	S	*	*				79	136.4	67.4	-73.5	-168.2	-152	-167.6	1.8	115.1
124	N	27.7	Very low	27.6	Very low	114 Å²	114	158.6 Å²	158.6	61%	0.61	80%	0.799	S	S	*	*			cis	-112.4	-130.7	-21.8	-96.8	62.5	0	0	0	108.1	E126	N124-E126 PolarHBondContact ND2-OE1 3.47Å
125	E	29.1	Very low	27.7	Very low	177 Å²	177	158.7 Å²	158.7	83%	0.827	80%	0.8	S	S	*	*			cis	-150.1	141.9	0.2	-63.1	168.4	129.5	0	0	104.7
126	E	28.7	Very low	27.7	Very low	149 Å²	149	161.8 Å²	161.8	70%	0.696	81%	0.811	S	S	*	*				68.6	125.2	56.5	-68.3	159.3	-122.3	0	0	112	N124	N124-E126 PolarHBondContact ND2-OE1 3.47Å
127	D	27.3	Very low	27.6	Very low	148 Å²	148	155.8 Å²	155.8	79%	0.791	80%	0.801	S	S	*	*			cis	-111.6	161.7	14.2	-51.5	-52.7	0	0	0	112.6
128	E	31	Very low	27.8	Very low	172 Å²	172	152.4 Å²	152.4	80%	0.804	80%	0.797	S	S	*	*				63.2	135.1	52.1	-81.7	-176.4	-163.6	0	0	114.4
129	D	30.5	Very low	27.9	Very low	141 Å²	141	151.1 Å²	151.1	75%	0.754	79%	0.794	S	S	*	*			cis	-161.9	176.4	-4.7	-139.6	-0.6	0	0	0	112.8
130	G	26.2	Very low	27.9	Very low	73 Å²	73	150.2 Å²	150.2	75%	0.753	80%	0.795	S	S	*	*			trans	157.5	92	163.6	0	0	0	0	0	119
131	D	28.5	Very low	28.1	Very low	143 Å²	143	152.2 Å²	152.2	77%	0.765	79%	0.792	S	S	*	*			trans	-77.7	164.7	176.2	-66.7	-54.6	0	0	0	115.9
132	E	28.4	Very low	28.2	Very low	201 Å²	201	157.8 Å²	157.8	94%	0.939	80%	0.804	S	S	*	*				-163.5	126.2	124.2	-111.7	173	-163.7	0	0	111.3
133	E	29.7	Very low	28.5	Very low	182 Å²	182	156.7 Å²	156.7	85%	0.85	80%	0.802	S	S	*	*			trans	-97.4	148.3	174.5	-59.8	-174.9	129.8	0	0	111.7
134	E	28.2	Very low	28.4	Very low	203 Å²	203	153.9 Å²	153.9	95%	0.949	80%	0.802	S	S	*	*			trans	-143.8	120.3	150.3	-80.7	-157.7	148	0	0	111.4
135	E	29.8	Very low	28.5	Very low	187 Å²	187	154 Å²	154	87%	0.874	81%	0.807	S	S	*	*			trans	-127.9	112.4	168.3	-178.6	-176.5	-126.4	0	0	110.3
136	F	26.2	Very low	28.6	Very low	224 Å²	224	154.7 Å²	154.7	98%	0.982	81%	0.808	S	S	*	*			trans	-168.1	145.2	162.2	-116.8	-85	0	0	0	108.1
137	G	24.6	Very low	28.7	Very low	65 Å²	65	152.9 Å²	152.9	67%	0.67	81%	0.811	S	S	*	*			cis	-167.1	176.1	-7.8	0	0	0	0	0	109.6
138	S	29.3	Very low	28.7	Very low	110 Å²	110	153.2 Å²	153.2	77%	0.769	81%	0.813	S	S	*	*			trans	-100.1	-172.7	-179.5	59.4	0	0	0	0	112.8
139	I	27.8	Very low	28.6	Very low	148 Å²	148	150.4 Å²	150.4	76%	0.759	81%	0.808	S	S	*	*			trans	80.9	133.5	178.4	-56.5	173.6	0	0	0	112
140	D	26.5	Very low	28.6	Very low	151 Å²	151	150.7 Å²	150.7	81%	0.807	81%	0.808	S	S	*	*			cis	-138	167	18.3	-129.4	-29.6	0	0	0	114.4
141	E	33.6	Very low	28.6	Very low	176 Å²	176	156.9 Å²	156.9	82%	0.822	81%	0.809	S	S	*	*			trans	-96.9	146.3	158.5	-78.1	-162.1	141.2	0	0	110.1
142	E	27.9	Very low	28.8	Very low	201 Å²	201	159 Å²	159	94%	0.939	81%	0.814	S	S	*	*			trans	-153	157	141.2	-131	-173.2	-162.2	0	0	114.1
143	V	30.3	Very low	28.6	Very low	112 Å²	112	158.3 Å²	158.3	68%	0.679	81%	0.808	S	S	*	*			trans	-100.9	133.7	-171.6	173.7	0	0	0	0	110.9	T145	V143-T145 HydrophobicContact CG1-CG2 4.35Å
144	L	26.1	Very low	28.7	Very low	155 Å²	155	158.1 Å²	158.1	81%	0.812	81%	0.808	S	S	*	*			trans	-140.4	96.2	160.2	-117.8	167.6	0	0	0	112.9
145	T	29.2	Very low	28.7	Very low	116 Å²	116	160 Å²	160	71%	0.712	81%	0.806	S	S	*	*			trans	-71.4	137.4	167.4	51.2	0	0	0	0	110.5	V143	V143-T145 HydrophobicContact CG1-CG2 4.35Å
146	K	30.9	Very low	28.4	Very low	192 Å²	192	162.8 Å²	162.8	84%	0.835	81%	0.808	S	S	*	*			trans	-155.2	115.3	148.1	-112	149.8	-169.3	168.9	0	111
147	S	30.9	Very low	28.5	Very low	110 Å²	110	156 Å²	156	77%	0.769	80%	0.802	S	S	*	*			trans	-64.7	142.8	160.6	51.7	0	0	0	0	109.7
148	D	27.4	Very low	28.5	Very low	156 Å²	156	164.7 Å²	164.7	83%	0.834	82%	0.815	S	S	*	*			trans	-132.2	149.8	146.3	-148	-17.1	0	0	0	110.2
149	T	29.4	Very low	28.4	Very low	112 Å²	112	169.6 Å²	169.6	69%	0.687	82%	0.822	S	S	*	*			trans	-104.5	-179.1	-171.5	61.5	0	0	0	0	110.9
150	L	29.1	Very low	28.3	Very low	147 Å²	147	171.7 Å²	171.7	77%	0.77	83%	0.826	S	S	*	*			trans	102.4	133.3	176.8	-57.9	161.5	0	0	0	114.2
151	R	26.6	Very low	28.3	Very low	203 Å²	203	173.1 Å²	173.1	77%	0.766	83%	0.825	S	S	*	*			cis	-166.1	124.8	-14.2	-176.9	170.8	179.9	169.7	2.8	108.3
152	E	31.8	Very low	27.8	Very low	188 Å²	188	172.3 Å²	172.3	88%	0.879	83%	0.826	S	S	*	*			trans	-62.7	146.4	171.5	-76	-169.1	115.2	0	0	111.7
153	K	26.1	Very low	27.7	Very low	186 Å²	186	167.8 Å²	167.8	81%	0.809	81%	0.812	S	S	*	*			trans	-148.6	83.1	173.6	-127.5	176.5	-173.5	175.8	0	110.4
154	E	30.6	Very low	27.5	Very low	179 Å²	179	170.6 Å²	170.6	84%	0.836	82%	0.817	S	S	*	*			trans	-51.9	142.1	161.2	-67.2	-163.2	120.9	0	0	110.5
155	R	27.8	Very low	27.4	Very low	243 Å²	243	172.3 Å²	172.3	92%	0.917	82%	0.821	S	S	*	*			trans	-150.6	96.2	152.9	-127.3	175.4	-179.6	-162.1	-3	113.4
156	R	25.2	Very low	27.2	Very low	244 Å²	244	176.2 Å²	176.2	92%	0.921	83%	0.832	S	S	*	*			trans	6.2	117.7	149.1	-68.1	176	166.8	-176.7	-7	115.7
157	G	27.3	Very low	27.1	Very low	83 Å²	83	171.2 Å²	171.2	86%	0.856	83%	0.826	S	S	*	*			trans	-72.9	177.4	179.8	0	0	0	0	0	115.2
158	R	24.4	Very low	27.1	Very low	246 Å²	246	171.5 Å²	171.5	93%	0.928	83%	0.825	S	S	*	*			trans	-139.3	111.8	175.7	-169.8	174.4	-172.4	171.9	3.4	110
159	K	28.1	Very low	27.3	Very low	213 Å²	213	173.6 Å²	173.6	93%	0.926	83%	0.83	S	S	*	*			trans	-59.3	138.1	167.7	-77.6	-179.4	175.4	176.8	0	109.2
160	K	24.8	Very low	27.3	Very low	193 Å²	193	173.3 Å²	173.3	84%	0.839	83%	0.828	S	S	*	*			trans	-140.9	120.1	156.3	-142.3	-176.4	-178	-166.8	0	108.4
161	K	25.9	Very low	27.4	Very low	181 Å²	181	173.2 Å²	173.2	79%	0.787	82%	0.822	S	S	*	*			trans	-66.1	151.3	163.2	-73.3	-176.3	171.8	-172.7	0	108.3
162	N	23.5	Very low	28	Very low	159 Å²	159	166.2 Å²	166.2	85%	0.85	80%	0.804	S	S	*	*				-139.9	162.5	129.5	-102.4	18	0	0	0	107
163	V	25.8	Very low	28.4	Very low	105 Å²	105	163.3 Å²	163.3	64%	0.636	79%	0.791	S	S	*	*			trans	-121.3	175.4	-174.6	179.4	0	0	0	0	107.9
164	E	25.7	Very low	29.4	Very low	171 Å²	171	159.2 Å²	159.2	80%	0.799	78%	0.778	S	S	*	*			trans	69.8	143.3	-178.9	-67.7	119.7	-115.1	0	0	115.3
165	E	23.7	Very low	30.4	Very low	191 Å²	191	152.3 Å²	152.3	89%	0.893	75%	0.751	S	S	*	*			cis	-120.1	151.9	1.2	-66.1	177.3	121.8	0	0	111.6
166	E	26.8	Very low	31.7	Very low	198 Å²	198	143.5 Å²	143.5	93%	0.925	73%	0.727	S	S	*	*			trans	-90.1	141.7	172.9	-66.3	-173.9	150.1	0	0	111.9
167	A	27.1	Very low	33.3	Very low	87 Å²	87	140.7 Å²	140.7	72%	0.719	72%	0.724	S	S	*	*			trans	-118.1	136	159.4	0	0	0	0	0	108.2	E169	A167-E169 PolarHBondContact O-N 3.33Å
168	P	31.2	Very low	35.2	Very low	116 Å²	116	139.4 Å²	139.4	75%	0.753	69%	0.694	S	S	*	*			trans	-80.4	94.9	-160.9	30.1	-36.6	0	0	0	113.9	T170	P168-T170 VanDerWaalsContact C-N 3.35Å; P168-T170 PolarHBondContact O-N 3.37Å
169	E	31.6	Very low	37.6	Very low	200 Å²	200	131.8 Å²	131.8	94%	0.935	67%	0.672	S	S	*	*			trans	-72.5	90.3	157.9	-72.3	-156.3	167.3	0	0	109.9	A167	A167-E169 PolarHBondContact O-N 3.33Å
170	T	29.8	Very low	39.8	Very low	106 Å²	106	128.6 Å²	128.6	65%	0.65	66%	0.66	S	S	*	*			trans	-91.5	149.1	171.5	41.4	0	0	0	0	111.4	P168	P168-T170 VanDerWaalsContact C-N 3.35Å; P168-T170 PolarHBondContact O-N 3.37Å
171	F	31.9	Very low	42.3	Very low	146 Å²	146	127 Å²	127	64%	0.64	66%	0.656	S	S	*	*			trans	75.5	89.5	173.5	-60.9	-79.7	0	0	0	119.6	Q383	F171-Q383 HydrophobicContact CB-CG 4.39Å; F171-Q383 HydrophobicContact CD1-CG 3.99Å; F171-Q383 VanDerWaalsContact CD1-NE2 3.35Å; F171-Q383 HydrophobicContact CG-CG 4.2Å
172	S	38.4	Very low	45.1	Very low	56 Å²	56	119.8 Å²	119.8	39%	0.392	63%	0.625	S	S	.	*				-167.4	140.8	113.3	-176.3	0	0	0	0	110	P384	S172-P384 PolarHBondContact OG-O 2.65Å
173	E	40.3	Very low	48.2	Very low	127 Å²	127	115 Å²	115	59%	0.593	60%	0.602	S	S	*	*			trans	-84.3	118.3	170.1	-68.2	174.5	125	0	0	109.2	A175 R220	E173-A175 PolarHBondContact O-N 3.46Å; E173-R220 IonicContact OE2-CZ 3.14Å; E173-R220 IonicContact OE2-NH1 3.46Å; E173-R220 PolarHBondContact OE2-NH1 2.91Å; E173-R220 IonicContact OE2-NH2 3.5Å
174	D	46.9	Very low	51.2	Low	100 Å²	100	110.6 Å²	110.6	54%	0.535	57%	0.574	S	S	.	*	B	Isolated β-bridge	trans	-87	83.1	-177.5	-164.7	1.9	0	0	0	110.8	S176	D174-S176 PolarHBondContact O-N 3.42Å; D174-S176 PolarHBondContact O-OG 2.95Å
175	A	52.1	Low	54.1	Low	33 Å²	33	110 Å²	110	27%	0.273	57%	0.571	S	S	.	*			trans	-74.7	51.1	-177.5	0	0	0	0	0	112.8	E173 Q177 I385 R386	E173-A175 PolarHBondContact O-N 3.46Å; A175-Q177 VanDerWaalsContact C-N 3.29Å; A175-I385 HydrophobicContact CB-CG2 3.45Å; A175-I385 VanDerWaalsContact CB-CG2 3.45Å; A175-R386 PolarHBondContact N-O 2.97Å
176	S	54.7	Low	57.2	Low	59 Å²	59	105.9 Å²	105.9	41%	0.413	55%	0.552	S	S	.	*			trans	-74.5	-17.7	174.7	55.1	0	0	0	0	113.3	D174	D174-S176 PolarHBondContact O-N 3.42Å; D174-S176 PolarHBondContact O-OG 2.95Å
177	Q	59.7	Low	60	Low	185 Å²	185	96.9 Å²	96.9	86%	0.864	51%	0.51	S	S	*	.			trans	-88.4	113.9	174	-62.6	-178.6	6.5	0	0	110.3	A175	A175-Q177 VanDerWaalsContact C-N 3.29Å
178	Y	67.4	Low	62.8	Low	56 Å²	56	99.6 Å²	99.6	22%	0.22	51%	0.513	C	S	.	.			trans	-120.4	148.1	170.9	54.5	-84.5	0	0	0	109.1	E180 P207 K210 A211 V389	Y178-E180 HydrophobicContact CE2-CG 4.26Å; Y178-E180 PolarHBondContact O-N 3.22Å; Y178-P207 HydrophobicContact CE2-CB 3.81Å; Y178-K210 HydrophobicContact CD2-CB 4.05Å; Y178-A211 HydrophobicContact CD1-CB 4.22Å; Y178-A211 HydrophobicContact CG-CB 4.26Å; Y178-V389 HydrophobicContact CE1-CG2 4.37Å
179	N	75.2	Confident	65.7	Low	86 Å²	86	94.7 Å²	94.7	46%	0.46	48%	0.48	S	S	.	.			trans	-72.1	116.3	175.9	-179.5	5.6	0	0	0	109.6	Q181 L182	N179-Q181 PolarHBondContact O-N 2.96Å; N179-Q181 WeakPolarHBondContact OD1-CB 3.4Å; N179-Q181 PolarHBondContact OD1-N 3.42Å; N179-L182 HydrophobicContact CB-CB 4.19Å; N179-L182 WeakPolarHBondContact O-CB 3.22Å; N179-L182 PolarHBondContact O-N 2.86Å
180	E	72.5	Confident	68.6	Low	145 Å²	145	86.2 Å²	86.2	68%	0.678	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-23.6	178.9	-65.7	-166.6	145.1	0	0	113.1	Y178 K210	Y178-E180 HydrophobicContact CE2-CG 4.26Å; Y178-E180 PolarHBondContact O-N 3.22Å; E180-K210 WeakPolarHBondContact O-CE 3.1Å; E180-K210 PolarHBondContact O-NZ 2.73Å
181	Q	77.8	Confident	71.6	Confident	161 Å²	161	91.9 Å²	91.9	75%	0.752	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-11.6	-178	-64.4	170.3	-15.1	0	0	113.6	N179 T183	N179-Q181 PolarHBondContact O-N 2.96Å; N179-Q181 WeakPolarHBondContact OD1-CB 3.4Å; N179-Q181 PolarHBondContact OD1-N 3.42Å; Q181-T183 PolarHBondContact O-N 3.07Å
182	L	85.2	Confident	74.5	Confident	29 Å²	29	87 Å²	87	15%	0.152	44%	0.436	C	S	.	.			trans	-60.6	122.1	-171.4	-174.7	70.3	0	0	0	113.1	N179 E186 M187 P205 K210 P214	N179-L182 HydrophobicContact CB-CB 4.19Å; N179-L182 WeakPolarHBondContact O-CB 3.22Å; N179-L182 PolarHBondContact O-N 2.86Å; L182-E186 HydrophobicContact CD1-CB 3.73Å; L182-M187 HydrophobicContact CD2-CE 3.66Å; L182-M187 HydrophobicContact CD2-CG 4.23Å; L182-M187 HydrophobicContact CG-CE 3.97Å; L182-M187 HydrophobicContact CG-CG 4.35Å; L182-P205 WeakPolarHBondContact O-CG 3.27Å; L182-K210 HydrophobicContact CB-CG 4.37Å; L182-K210 WeakPolarHBondContact O-CE 3.15Å; L182-P214 HydrophobicContact CD2-CG 4.14Å
183	T	89.3	Confident	77.1	Confident	59 Å²	59	84.4 Å²	84.4	36%	0.362	42%	0.417	S	S	.	.			trans	-92	170.3	177.2	64.1	0	0	0	0	112.2	Q181 E185 E186 M187	Q181-T183 PolarHBondContact O-N 3.07Å; T183-E185 VanDerWaalsContact C-N 3.3Å; T183-E186 WeakPolarHBondContact CB-OE2 3.2Å; T183-E186 PolarHBondContact N-OE2 3.36Å; T183-E186 VanDerWaalsContact OG1-CD 3.3Å; T183-E186 VanDerWaalsContact OG1-CG 3.31Å; T183-E186 WeakPolarHBondContact OG1-CG 3.4Å; T183-E186 PolarHBondContact OG1-N 2.85Å; T183-E186 PolarHBondContact OG1-OE2 2.97Å; T183-M187 WeakPolarHBondContact O-CG 3.23Å
184	F	88.9	Confident	79.6	Confident	11 Å²	11	80.2 Å²	80.2	5%	0.048	40%	0.399	C	S	.	.	S	Bend	trans	-68.6	-28	173.4	-76.1	-66.9	0	0	0	113.2	M187 L189 L194 I197 F202 P205 I213 L238	F184-M187 HydrophobicContact CD1-SD 3.98Å; F184-M187 WeakPolarHBondContact O-CB 3.33Å; F184-M187 PolarHBondContact O-N 3.39Å; F184-L189 HydrophobicContact CD1-CD1 4.43Å; F184-L194 HydrophobicContact CB-CD2 4.26Å; F184-I197 HydrophobicContact CB-CD1 4.46Å; F184-I197 HydrophobicContact CB-CG2 4.47Å; F184-I197 HydrophobicContact CD1-CD1 3.82Å; F184-I197 HydrophobicContact CD1-CG2 4.32Å; F184-I197 HydrophobicContact CD2-CG2 3.63Å; F184-I197 HydrophobicContact CE1-CD1 4.2Å; F184-I197 HydrophobicContact CE1-CG2 4.44Å; F184-I197 HydrophobicContact CE2-CG2 3.78Å; F184-I197 HydrophobicContact CG-CD1 4.19Å; F184-I197 HydrophobicContact CG-CG2 3.92Å; F184-I197 HydrophobicContact CZ-CG2 4.19Å; F184-F202 HydrophobicContact CE2-CB 3.97Å; F184-F202 HydrophobicContact CZ-CB 4.32Å; F184-P205 HydrophobicContact CD1-CB 4.06Å; F184-P205 HydrophobicContact CD1-CG 4.35Å; F184-P205 HydrophobicContact CD2-CB 4.34Å; F184-P205 HydrophobicContact CD2-CG 4.27Å; F184-P205 HydrophobicContact CE1-CB 3.67Å; F184-P205 HydrophobicContact CE1-CG 4.42Å; F184-P205 HydrophobicContact CE2-CB 3.96Å; F184-P205 HydrophobicContact CE2-CG 4.33Å; F184-P205 HydrophobicContact CG-CB 4.39Å; F184-P205 HydrophobicContact CG-CG 4.29Å; F184-P205 HydrophobicContact CZ-CB 3.61Å; F184-P205 HydrophobicContact CZ-CG 4.41Å; F184-I213 HydrophobicContact CE1-CD1 4.33Å; F184-L238 HydrophobicContact CD1-CD1 4.43Å; F184-L238 HydrophobicContact CE1-CD1 3.81Å
185	E	86.6	Confident	81.8	Confident	158 Å²	158	81.3 Å²	81.3	74%	0.738	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-40.1	-179	-59.6	-175.4	171.1	0	0	110.9	T183 M187 N188	T183-E185 VanDerWaalsContact C-N 3.3Å; E185-M187 PolarHBondContact O-N 3.43Å; E185-N188 PolarHBondContact O-N 3.43Å
186	E	87.1	Confident	83.8	Confident	106 Å²	106	79.7 Å²	79.7	50%	0.495	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-13.3	174.7	-68	164.9	136.7	0	0	113.9	L182 T183 N188	L182-E186 HydrophobicContact CD1-CB 3.73Å; T183-E186 WeakPolarHBondContact CB-OE2 3.2Å; T183-E186 PolarHBondContact N-OE2 3.36Å; T183-E186 VanDerWaalsContact OG1-CD 3.3Å; T183-E186 VanDerWaalsContact OG1-CG 3.31Å; T183-E186 WeakPolarHBondContact OG1-CG 3.4Å; T183-E186 PolarHBondContact OG1-N 2.85Å; T183-E186 PolarHBondContact OG1-OE2 2.97Å; E186-N188 PolarHBondContact O-N 3.15Å; E186-N188 PolarHBondContact O-ND2 3.47Å
187	M	86.9	Confident	85.6	Confident	9 Å²	9	77.1 Å²	77.1	4%	0.044	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	0.5	176.2	-68.9	175.6	-177.1	0	0	113.8	L182 T183 F184 E185 L189 P205 K210 I213 L217	L182-M187 HydrophobicContact CD2-CE 3.66Å; L182-M187 HydrophobicContact CD2-CG 4.23Å; L182-M187 HydrophobicContact CG-CE 3.97Å; L182-M187 HydrophobicContact CG-CG 4.35Å; T183-M187 WeakPolarHBondContact O-CG 3.23Å; F184-M187 HydrophobicContact CD1-SD 3.98Å; F184-M187 WeakPolarHBondContact O-CB 3.33Å; F184-M187 PolarHBondContact O-N 3.39Å; E185-M187 PolarHBondContact O-N 3.43Å; M187-L189 VanDerWaalsContact C-N 3.28Å; M187-L189 HydrophobicContact CB-CD1 4.24Å; M187-L189 HydrophobicContact CB-CG 3.97Å; M187-L189 PolarHBondContact O-N 3.28Å; M187-P205 HydrophobicContact CE-CB 3.71Å; M187-P205 HydrophobicContact CE-CG 3.63Å; M187-K210 HydrophobicContact CE-CG 4.41Å; M187-I213 HydrophobicContact CE-CD1 4.32Å; M187-I213 HydrophobicContact SD-CB 4.04Å; M187-I213 HydrophobicContact SD-CD1 3.75Å; M187-I213 HydrophobicContact SD-CG2 3.85Å; M187-L217 WeakPolarHBondContact O-CD1 3.37Å
188	N	86.1	Confident	87.1	Confident	144 Å²	144	73.5 Å²	73.5	77%	0.77	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	37.6	-178.8	-62.8	-76	0	0	0	113.7	E185 E186	E185-N188 PolarHBondContact O-N 3.43Å; E186-N188 PolarHBondContact O-N 3.15Å; E186-N188 PolarHBondContact O-ND2 3.47Å
189	L	91.3	Very high	88.2	Confident	12 Å²	12	72.8 Å²	72.8	6%	0.063	36%	0.363	C	S	.	.			trans	-79	148.1	176.5	-61.2	174.6	0	0	0	111.4	F184 M187 I193 L194 I197 I213 L217 E242	F184-L189 HydrophobicContact CD1-CD1 4.43Å; M187-L189 VanDerWaalsContact C-N 3.28Å; M187-L189 HydrophobicContact CB-CD1 4.24Å; M187-L189 HydrophobicContact CB-CG 3.97Å; M187-L189 PolarHBondContact O-N 3.28Å; L189-I193 HydrophobicContact CB-CG2 4.46Å; L189-I193 HydrophobicContact CD1-CG2 4.37Å; L189-L194 HydrophobicContact CB-CD2 4.04Å; L189-L194 HydrophobicContact CB-CG 4.09Å; L189-L194 HydrophobicContact CD1-CD2 4.48Å; L189-L194 WeakPolarHBondContact O-CD1 3.28Å; L189-I197 HydrophobicContact CD1-CD1 3.73Å; L189-I213 HydrophobicContact CD2-CG2 4.47Å; L189-L217 HydrophobicContact CD2-CD1 4.32Å; L189-L217 HydrophobicContact CD2-CD2 4.47Å; L189-E242 HydrophobicContact CD2-CB 4.34Å; L189-E242 HydrophobicContact CD2-CG 4.36Å
190	S	92.1	Very high	88.7	Confident	22 Å²	22	70.6 Å²	70.6	15%	0.154	35%	0.351	C	S	.	.			trans	-66.1	149	179.4	59.9	0	0	0	0	112.7	P192 I193 L194 E242	S190-P192 VanDerWaalsContact C-N 3.33Å; S190-I193 PolarHBondContact O-N 3.04Å; S190-L194 PolarHBondContact O-N 3.41Å; S190-E242 WeakPolarHBondContact CB-OE1 3.38Å; S190-E242 WeakPolarHBondContact CB-OE2 3.44Å; S190-E242 PolarHBondContact N-OE2 2.83Å; S190-E242 PolarHBondContact OG-OE2 3.19Å
191	R	92.4	Very high	89.4	Confident	225 Å²	225	66.1 Å²	66.1	85%	0.849	34%	0.344	S	S	*	.	H	α-helix	trans	-50.6	-40	-179	-65.4	-177.6	179.6	179.7	-0.6	114.6	I193 K195	R191-I193 VanDerWaalsContact C-N 3.34Å; R191-I193 PolarHBondContact O-N 3.48Å; R191-K195 WeakPolarHBondContact O-CB 3.43Å; R191-K195 PolarHBondContact O-N 3.19Å
192	P	93.4	Very high	89.9	Confident	45 Å²	45	61.9 Å²	61.9	29%	0.292	32%	0.324	S	S	.	.	H	α-helix	trans	-63	-38.2	176.2	-24.3	36.4	0	0	0	113.4	S190 A196 F279 T280	S190-P192 VanDerWaalsContact C-N 3.33Å; P192-A196 PolarHBondContact O-N 3.19Å; P192-A196 VanDerWaalsContact O-N 3.08Å; P192-F279 HydrophobicContact CB-CB 4.1Å; P192-T280 HydrophobicContact CB-CG2 3.99Å
193	I	93	Very high	89.9	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-74.8	-43.1	-179.6	-66.3	-174.8	0	0	0	110.4	L189 S190 R191 K195 A196 I197 L238 L241 E242 V245	L189-I193 HydrophobicContact CB-CG2 4.46Å; L189-I193 HydrophobicContact CD1-CG2 4.37Å; S190-I193 PolarHBondContact O-N 3.04Å; R191-I193 VanDerWaalsContact C-N 3.34Å; R191-I193 PolarHBondContact O-N 3.48Å; I193-K195 VanDerWaalsContact C-N 3.31Å; I193-K195 PolarHBondContact O-N 3.35Å; I193-A196 WeakPolarHBondContact O-CB 3.36Å; I193-A196 PolarHBondContact O-N 2.9Å; I193-A196 VanDerWaalsContact O-N 3.08Å; I193-I197 HydrophobicContact CG2-CD1 4.04Å; I193-I197 WeakPolarHBondContact O-CG1 3.31Å; I193-I197 PolarHBondContact O-N 2.89Å; I193-L238 HydrophobicContact CG2-CD2 3.41Å; I193-L238 VanDerWaalsContact CG2-CD2 3.41Å; I193-L241 HydrophobicContact CD1-CB 3.61Å; I193-E242 HydrophobicContact CD1-CB 4.09Å; I193-E242 VanDerWaalsContact CD1-N 3.32Å; I193-V245 HydrophobicContact CD1-CG2 4.38Å
194	L	93.1	Very high	89.8	Confident	40 Å²	40	74.2 Å²	74.2	21%	0.209	37%	0.373	C	S	.	.	H	α-helix	trans	-56.6	-45.3	171.4	-69.6	174.4	0	0	0	111.3	F184 L189 S190 A196 I197 T198	F184-L194 HydrophobicContact CB-CD2 4.26Å; L189-L194 HydrophobicContact CB-CD2 4.04Å; L189-L194 HydrophobicContact CB-CG 4.09Å; L189-L194 HydrophobicContact CD1-CD2 4.48Å; L189-L194 WeakPolarHBondContact O-CD1 3.28Å; S190-L194 PolarHBondContact O-N 3.41Å; L194-A196 VanDerWaalsContact C-N 3.29Å; L194-A196 PolarHBondContact O-N 2.86Å; L194-I197 HydrophobicContact CD2-CD1 4.42Å; L194-I197 WeakPolarHBondContact O-CB 3.43Å; L194-I197 PolarHBondContact O-N 3.36Å; L194-T198 PolarHBondContact O-N 3.03Å; L194-T198 PolarHBondContact O-OG1 2.75Å
195	K	93.3	Very high	89.8	Confident	122 Å²	122	73.9 Å²	73.9	53%	0.53	37%	0.372	S	S	.	.	H	α-helix	trans	-59.5	-37.3	175.1	-167.6	-173.5	175.1	-173.8	0	112.5	R191 I193 A199 F279	R191-K195 WeakPolarHBondContact O-CB 3.43Å; R191-K195 PolarHBondContact O-N 3.19Å; I193-K195 VanDerWaalsContact C-N 3.31Å; I193-K195 PolarHBondContact O-N 3.35Å; K195-A199 WeakPolarHBondContact O-CB 3.31Å; K195-A199 PolarHBondContact O-N 3.22Å; K195-F279 HydrophobicContact CB-CD2 3.82Å; K195-F279 HydrophobicContact CB-CE2 4.11Å; K195-F279 HydrophobicContact CD-CD1 4.13Å; K195-F279 HydrophobicContact CD-CD2 3.75Å; K195-F279 HydrophobicContact CD-CE1 4.16Å; K195-F279 HydrophobicContact CD-CE2 3.78Å; K195-F279 HydrophobicContact CD-CG 3.94Å; K195-F279 HydrophobicContact CD-CZ 4Å; K195-F279 HydrophobicContact CG-CD2 3.73Å; K195-F279 HydrophobicContact CG-CE2 3.59Å; K195-F279 HydrophobicContact CG-CG 4.43Å; K195-F279 HydrophobicContact CG-CZ 4.17Å
196	A	93.2	Very high	89.9	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-70.7	-39.2	176.7	0	0	0	0	0	112.7	P192 I193 L194 A199 L200 L276 Q278 F279	P192-A196 PolarHBondContact O-N 3.19Å; P192-A196 VanDerWaalsContact O-N 3.08Å; I193-A196 WeakPolarHBondContact O-CB 3.36Å; I193-A196 PolarHBondContact O-N 2.9Å; I193-A196 VanDerWaalsContact O-N 3.08Å; L194-A196 VanDerWaalsContact C-N 3.29Å; L194-A196 PolarHBondContact O-N 2.86Å; A196-A199 PolarHBondContact O-N 2.81Å; A196-L200 WeakPolarHBondContact O-CB 3.26Å; A196-L200 WeakPolarHBondContact O-CG 3.4Å; A196-L200 PolarHBondContact O-N 3.2Å; A196-L276 VanDerWaalsContact CB-O 3.3Å; A196-L276 WeakPolarHBondContact CB-O 3.46Å; A196-Q278 HydrophobicContact CB-CG 4.42Å; A196-F279 HydrophobicContact CB-CD2 4.01Å; A196-F279 HydrophobicContact CB-CE2 4.42Å
197	I	92.5	Very high	89.8	Confident	4 Å²	4	66 Å²	66	2%	0.021	34%	0.343	C	S	.	.	H	α-helix	trans	-59	-48.3	172.5	-69.6	166.2	0	0	0	110.1	F184 L189 I193 L194 L200 G201 F202 L238 L276	F184-I197 HydrophobicContact CB-CD1 4.46Å; F184-I197 HydrophobicContact CB-CG2 4.47Å; F184-I197 HydrophobicContact CD1-CD1 3.82Å; F184-I197 HydrophobicContact CD1-CG2 4.32Å; F184-I197 HydrophobicContact CD2-CG2 3.63Å; F184-I197 HydrophobicContact CE1-CD1 4.2Å; F184-I197 HydrophobicContact CE1-CG2 4.44Å; F184-I197 HydrophobicContact CE2-CG2 3.78Å; F184-I197 HydrophobicContact CG-CD1 4.19Å; F184-I197 HydrophobicContact CG-CG2 3.92Å; F184-I197 HydrophobicContact CZ-CG2 4.19Å; L189-I197 HydrophobicContact CD1-CD1 3.73Å; I193-I197 HydrophobicContact CG2-CD1 4.04Å; I193-I197 WeakPolarHBondContact O-CG1 3.31Å; I193-I197 PolarHBondContact O-N 2.89Å; L194-I197 HydrophobicContact CD2-CD1 4.42Å; L194-I197 WeakPolarHBondContact O-CB 3.43Å; L194-I197 PolarHBondContact O-N 3.36Å; I197-L200 PolarHBondContact O-N 3.37Å; I197-G201 PolarHBondContact O-N 3.1Å; I197-F202 HydrophobicContact CG2-CB 3.71Å; I197-F202 PolarHBondContact O-N 3.18Å; I197-F202 VanDerWaalsContact O-N 3.15Å; I197-L238 HydrophobicContact CD1-CD1 4.09Å; I197-L238 HydrophobicContact CD1-CD2 3.75Å; I197-L238 HydrophobicContact CG1-CD1 4.49Å; I197-L238 HydrophobicContact CG1-CD2 3.93Å; I197-L276 HydrophobicContact CG1-CD2 4.4Å
198	T	91.3	Very high	89.8	Confident	109 Å²	109	65.7 Å²	65.7	67%	0.669	34%	0.342	S	S	*	.	H	α-helix	trans	-63	-43.4	177.3	-48.6	0	0	0	0	112	L194 L200 G201	L194-T198 PolarHBondContact O-N 3.03Å; L194-T198 PolarHBondContact O-OG1 2.75Å; T198-L200 PolarHBondContact O-N 3.41Å; T198-G201 PolarHBondContact O-N 3.02Å
199	A	90.6	Very high	90	Very high	41 Å²	41	59.2 Å²	59.2	34%	0.339	31%	0.307	S	S	.	.	H	α-helix	trans	-64.4	-27	178.1	0	0	0	0	0	113.4	K195 A196 G201 F279	K195-A199 WeakPolarHBondContact O-CB 3.31Å; K195-A199 PolarHBondContact O-N 3.22Å; A196-A199 PolarHBondContact O-N 2.81Å; A199-G201 VanDerWaalsContact C-N 3.29Å; A199-F279 HydrophobicContact CB-CE2 4.15Å
200	L	86.6	Confident	90	Very high	40 Å²	40	59.7 Å²	59.7	21%	0.209	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	3	172.4	-75.7	167.1	0	0	0	113.8	A196 I197 T198 F202 Q275 L276	A196-L200 WeakPolarHBondContact O-CB 3.26Å; A196-L200 WeakPolarHBondContact O-CG 3.4Å; A196-L200 PolarHBondContact O-N 3.2Å; I197-L200 PolarHBondContact O-N 3.37Å; T198-L200 PolarHBondContact O-N 3.41Å; L200-F202 HydrophobicContact CB-CD1 4.03Å; L200-F202 HydrophobicContact CB-CD2 4.43Å; L200-F202 HydrophobicContact CB-CE1 4.04Å; L200-F202 HydrophobicContact CB-CE2 4.44Å; L200-F202 HydrophobicContact CB-CG 4.23Å; L200-F202 HydrophobicContact CB-CZ 4.25Å; L200-F202 HydrophobicContact CD1-CE2 4.21Å; L200-F202 HydrophobicContact CD1-CZ 4.28Å; L200-F202 WeakPolarHBondContact O-CD1 3.19Å; L200-F202 PolarHBondContact O-N 2.91Å; L200-Q275 HydrophobicContact CD1-CB 4.05Å; L200-Q275 HydrophobicContact CD2-CB 3.95Å; L200-Q275 HydrophobicContact CD2-CG 4.33Å; L200-Q275 HydrophobicContact CG-CB 4.39Å; L200-L276 HydrophobicContact CD1-CD2 3.64Å; L200-L276 HydrophobicContact CD1-CG 4.03Å
201	G	87.4	Confident	89.8	Confident	52 Å²	52	59.1 Å²	59.1	54%	0.536	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.2	15.9	-179.7	0	0	0	0	0	114.6	I197 T198 A199 K203	I197-G201 PolarHBondContact O-N 3.1Å; T198-G201 PolarHBondContact O-N 3.02Å; A199-G201 VanDerWaalsContact C-N 3.29Å; G201-K203 PolarHBondContact O-N 2.88Å
202	F	87.6	Confident	89.8	Confident	72 Å²	72	48.5 Å²	48.5	32%	0.316	27%	0.265	S	S	.	.			trans	-74.7	89.4	179.9	-70	-0.2	0	0	0	110.4	F184 I197 L200 A234 L276	F184-F202 HydrophobicContact CE2-CB 3.97Å; F184-F202 HydrophobicContact CZ-CB 4.32Å; I197-F202 HydrophobicContact CG2-CB 3.71Å; I197-F202 PolarHBondContact O-N 3.18Å; I197-F202 VanDerWaalsContact O-N 3.15Å; L200-F202 HydrophobicContact CB-CD1 4.03Å; L200-F202 HydrophobicContact CB-CD2 4.43Å; L200-F202 HydrophobicContact CB-CE1 4.04Å; L200-F202 HydrophobicContact CB-CE2 4.44Å; L200-F202 HydrophobicContact CB-CG 4.23Å; L200-F202 HydrophobicContact CB-CZ 4.25Å; L200-F202 HydrophobicContact CD1-CE2 4.21Å; L200-F202 HydrophobicContact CD1-CZ 4.28Å; L200-F202 WeakPolarHBondContact O-CD1 3.19Å; L200-F202 PolarHBondContact O-N 2.91Å; F202-A234 HydrophobicContact CE2-CB 4.06Å; F202-L276 HydrophobicContact CE2-CD2 4.47Å
203	K	84.6	Confident	89.8	Confident	197 Å²	197	46.3 Å²	46.3	86%	0.857	25%	0.251	S	S	*	.			trans	-70.7	-46.6	-176.5	-62.1	-173.2	179.9	-174.1	0	113.9	G201	G201-K203 PolarHBondContact O-N 2.88Å
204	E	87.1	Confident	89.7	Confident	149 Å²	149	48.7 Å²	48.7	70%	0.696	27%	0.267	S	S	*	.	S	Bend	trans	-130.7	142.2	-178.3	-72.3	-178.2	-145.2	0	0	110.5
205	P	89.9	Confident	89.6	Confident	5 Å²	5	47.6 Å²	47.6	3%	0.032	26%	0.261	C	S	.	.			trans	-72.3	136.1	174.7	23.2	-24.6	0	0	0	111	L182 F184 M187 Q209 K210	L182-P205 WeakPolarHBondContact O-CG 3.27Å; F184-P205 HydrophobicContact CD1-CB 4.06Å; F184-P205 HydrophobicContact CD1-CG 4.35Å; F184-P205 HydrophobicContact CD2-CB 4.34Å; F184-P205 HydrophobicContact CD2-CG 4.27Å; F184-P205 HydrophobicContact CE1-CB 3.67Å; F184-P205 HydrophobicContact CE1-CG 4.42Å; F184-P205 HydrophobicContact CE2-CB 3.96Å; F184-P205 HydrophobicContact CE2-CG 4.33Å; F184-P205 HydrophobicContact CG-CB 4.39Å; F184-P205 HydrophobicContact CG-CG 4.29Å; F184-P205 HydrophobicContact CZ-CB 3.61Å; F184-P205 HydrophobicContact CZ-CG 4.41Å; M187-P205 HydrophobicContact CE-CB 3.71Å; M187-P205 HydrophobicContact CE-CG 3.63Å; P205-Q209 VanDerWaalsContact CA-OE1 3.31Å; P205-Q209 HydrophobicContact CB-CB 3.91Å; P205-K210 HydrophobicContact CB-CG 4.03Å; P205-K210 HydrophobicContact CG-CG 3.9Å; P205-K210 WeakPolarHBondContact O-CD 3.39Å; P205-K210 WeakPolarHBondContact O-CE 3.42Å; P205-K210 PolarHBondContact O-NZ 3.18Å
206	T	87.4	Confident	89.5	Confident	41 Å²	41	41.8 Å²	41.8	25%	0.252	24%	0.236	S	C	.	.			trans	-67.3	160.5	177.1	72.4	0	0	0	0	111.2	I208 Q209 K210 T230	T206-I208 PolarHBondContact O-N 3.06Å; T206-I208 VanDerWaalsContact O-N 3.09Å; T206-I208 WeakPolarHBondContact OG1-CG2 3.47Å; T206-Q209 CarbonylContact O-C 3.58Å; T206-Q209 WeakPolarHBondContact O-CA 3.4Å; T206-Q209 WeakPolarHBondContact O-CB 3.26Å; T206-Q209 PolarHBondContact O-N 3.47Å; T206-Q209 WeakPolarHBondContact OG1-CG 2.98Å; T206-K210 PolarHBondContact O-N 3.37Å; T206-T230 WeakPolarHBondContact CB-O 3.43Å; T206-T230 WeakPolarHBondContact CG2-O 3.45Å; T206-T230 PolarHBondContact OG1-O 3.01Å
207	P	86	Confident	89.4	Confident	57 Å²	57	44.3 Å²	44.3	37%	0.37	25%	0.249	S	C	.	.	H	α-helix	trans	-52.9	-33.6	178.8	-32.9	39.4	0	0	0	115.2	Y178 A211 V389	Y178-P207 HydrophobicContact CE2-CB 3.81Å; P207-A211 PolarHBondContact O-N 3.07Å; P207-A211 VanDerWaalsContact O-N 3.13Å; P207-V389 HydrophobicContact CB-CG1 3.58Å
208	I	86.9	Confident	89.3	Confident	2 Å²	2	50.5 Å²	50.5	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-76.2	-28.5	175.4	-168.8	62.4	0	0	0	112.7	T206 C212 A224 A226 T230 I387 V389	T206-I208 PolarHBondContact O-N 3.06Å; T206-I208 VanDerWaalsContact O-N 3.09Å; T206-I208 WeakPolarHBondContact OG1-CG2 3.47Å; I208-C212 VanDerWaalsContact CD1-SG 3.51Å; I208-C212 WeakPolarHBondContact O-CB 3.47Å; I208-C212 PolarHBondContact O-N 3.37Å; I208-C212 PolarHBondContact O-SG 3.01Å; I208-A224 HydrophobicContact CD1-CB 4.28Å; I208-A226 HydrophobicContact CB-CB 4.2Å; I208-A226 HydrophobicContact CD1-CB 3.97Å; I208-A226 HydrophobicContact CG1-CB 3.86Å; I208-T230 WeakPolarHBondContact CG2-O 3.44Å; I208-I387 HydrophobicContact CD1-CG2 3.87Å; I208-V389 HydrophobicContact CB-CB 4.42Å; I208-V389 HydrophobicContact CB-CG1 4.34Å; I208-V389 HydrophobicContact CB-CG2 4.43Å; I208-V389 HydrophobicContact CD1-CB 4Å; I208-V389 HydrophobicContact CD1-CG2 3.7Å
209	Q	91.1	Very high	89.3	Confident	8 Å²	8	46.8 Å²	46.8	4%	0.037	27%	0.265	C	S	.	.	H	α-helix	trans	-71.8	-45.8	171.6	-68.8	164	0.2	0	0	110.7	P205 T206 A211 C212 I213 G231 A235	P205-Q209 VanDerWaalsContact CA-OE1 3.31Å; P205-Q209 HydrophobicContact CB-CB 3.91Å; T206-Q209 CarbonylContact O-C 3.58Å; T206-Q209 WeakPolarHBondContact O-CA 3.4Å; T206-Q209 WeakPolarHBondContact O-CB 3.26Å; T206-Q209 PolarHBondContact O-N 3.47Å; T206-Q209 WeakPolarHBondContact OG1-CG 2.98Å; Q209-A211 VanDerWaalsContact C-N 3.27Å; Q209-A211 PolarHBondContact O-N 3.27Å; Q209-C212 PolarHBondContact O-N 3.47Å; Q209-I213 HydrophobicContact CB-CD1 3.7Å; Q209-I213 HydrophobicContact CB-CG1 4.39Å; Q209-I213 HydrophobicContact CG-CD1 4.24Å; Q209-I213 WeakPolarHBondContact O-CB 3.45Å; Q209-I213 VanDerWaalsContact O-CG1 3.28Å; Q209-I213 WeakPolarHBondContact O-CG1 3.4Å; Q209-I213 PolarHBondContact O-N 2.65Å; Q209-G231 PolarHBondContact NE2-O 3.27Å; Q209-A235 HydrophobicContact CB-CB 4.42Å; Q209-A235 HydrophobicContact CG-CB 3.73Å
210	K	90.2	Very high	89.2	Confident	23 Å²	23	50.6 Å²	50.6	10%	0.1	27%	0.271	C	S	.	.	H	α-helix	trans	-54.5	-40.4	174.2	-71.9	173.5	169.2	166.3	0	112.3	Y178 E180 L182 M187 P205 T206 P214	Y178-K210 HydrophobicContact CD2-CB 4.05Å; E180-K210 WeakPolarHBondContact O-CE 3.1Å; E180-K210 PolarHBondContact O-NZ 2.73Å; L182-K210 HydrophobicContact CB-CG 4.37Å; L182-K210 WeakPolarHBondContact O-CE 3.15Å; M187-K210 HydrophobicContact CE-CG 4.41Å; P205-K210 HydrophobicContact CB-CG 4.03Å; P205-K210 HydrophobicContact CG-CG 3.9Å; P205-K210 WeakPolarHBondContact O-CD 3.39Å; P205-K210 WeakPolarHBondContact O-CE 3.42Å; P205-K210 PolarHBondContact O-NZ 3.18Å; T206-K210 PolarHBondContact O-N 3.37Å; K210-P214 WeakPolarHBondContact O-CD 3.4Å
211	A	88.9	Confident	89.6	Confident	10 Å²	10	49.3 Å²	49.3	8%	0.083	26%	0.264	C	S	.	.	H	α-helix	trans	-79.5	-46.6	176.6	0	0	0	0	0	114.2	Y178 P207 Q209 I387 V389	Y178-A211 HydrophobicContact CD1-CB 4.22Å; Y178-A211 HydrophobicContact CG-CB 4.26Å; P207-A211 PolarHBondContact O-N 3.07Å; P207-A211 VanDerWaalsContact O-N 3.13Å; Q209-A211 VanDerWaalsContact C-N 3.27Å; Q209-A211 PolarHBondContact O-N 3.27Å; A211-I387 HydrophobicContact CB-CG2 3.66Å; A211-V389 HydrophobicContact CB-CG2 4.04Å
212	C	91.6	Very high	89.8	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.007	24%	0.239	C	C	.	.	H	α-helix	trans	-83.7	-32.6	-170.5	-69.1	0	0	0	0	115.1	I208 Q209 V215 G216 A235 F365 I387	I208-C212 VanDerWaalsContact CD1-SG 3.51Å; I208-C212 WeakPolarHBondContact O-CB 3.47Å; I208-C212 PolarHBondContact O-N 3.37Å; I208-C212 PolarHBondContact O-SG 3.01Å; Q209-C212 PolarHBondContact O-N 3.47Å; C212-V215 PolarHBondContact O-N 2.93Å; C212-G216 PolarHBondContact O-N 3.43Å; C212-A235 HydrophobicContact CB-CB 4.17Å; C212-F365 HydrophobicContact CB-CZ 4.49Å; C212-I387 HydrophobicContact CB-CD1 4.44Å
213	I	93	Very high	90	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-64.3	-49.4	-172.5	-64	169.3	0	0	0	111.7	F184 M187 L189 Q209 V215 G216 L217 L238	F184-I213 HydrophobicContact CE1-CD1 4.33Å; M187-I213 HydrophobicContact CE-CD1 4.32Å; M187-I213 HydrophobicContact SD-CB 4.04Å; M187-I213 HydrophobicContact SD-CD1 3.75Å; M187-I213 HydrophobicContact SD-CG2 3.85Å; L189-I213 HydrophobicContact CD2-CG2 4.47Å; Q209-I213 HydrophobicContact CB-CD1 3.7Å; Q209-I213 HydrophobicContact CB-CG1 4.39Å; Q209-I213 HydrophobicContact CG-CD1 4.24Å; Q209-I213 WeakPolarHBondContact O-CB 3.45Å; Q209-I213 VanDerWaalsContact O-CG1 3.28Å; Q209-I213 WeakPolarHBondContact O-CG1 3.4Å; Q209-I213 PolarHBondContact O-N 2.65Å; I213-V215 VanDerWaalsContact C-N 3.34Å; I213-V215 PolarHBondContact O-N 3.05Å; I213-G216 PolarHBondContact O-N 2.79Å; I213-L217 HydrophobicContact CG2-CD1 4.13Å; I213-L217 HydrophobicContact CG2-CG 4.42Å; I213-L217 WeakPolarHBondContact O-CG 3.28Å; I213-L217 PolarHBondContact O-N 3.35Å; I213-L238 HydrophobicContact CD1-CB 4.27Å; I213-L238 HydrophobicContact CD1-CD1 3.62Å; I213-L238 HydrophobicContact CG1-CB 4.48Å
214	P	91.1	Very high	90.2	Very high	50 Å²	50	34.1 Å²	34.1	33%	0.325	18%	0.184	S	C	.	.	H	α-helix	trans	-61	-41.6	178.5	-23.3	35.1	0	0	0	112.6	L182 K210 G216 L217 L218	L182-P214 HydrophobicContact CD2-CG 4.14Å; K210-P214 WeakPolarHBondContact O-CD 3.4Å; P214-G216 PolarHBondContact O-N 2.99Å; P214-L217 PolarHBondContact O-N 3.49Å; P214-L218 WeakPolarHBondContact O-CG 3.4Å; P214-L218 PolarHBondContact O-N 2.88Å
215	V	91.2	Very high	90.1	Very high	16 Å²	16	27.6 Å²	27.6	10%	0.097	15%	0.154	C	C	.	.	H	α-helix	trans	-64.6	-39.6	176.7	174.3	0	0	0	0	111.7	C212 I213 L218 L222 I385 I387	C212-V215 PolarHBondContact O-N 2.93Å; I213-V215 VanDerWaalsContact C-N 3.34Å; I213-V215 PolarHBondContact O-N 3.05Å; V215-L218 PolarHBondContact O-N 3Å; V215-L222 HydrophobicContact CG1-CB 4.13Å; V215-L222 HydrophobicContact CG1-CD2 4.27Å; V215-I385 HydrophobicContact CG1-CB 4.15Å; V215-I385 HydrophobicContact CG1-CD1 3.78Å; V215-I385 HydrophobicContact CG1-CG2 4.28Å; V215-I385 HydrophobicContact CG2-CD1 4.36Å; V215-I385 HydrophobicContact CG2-CG2 4.5Å; V215-I387 HydrophobicContact CB-CD1 4.4Å; V215-I387 HydrophobicContact CG2-CD1 4.29Å
216	G	91.4	Very high	89.4	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63.4	-44.4	176.2	0	0	0	0	0	112.6	C212 I213 P214 L218 G219 R243 Q361	C212-G216 PolarHBondContact O-N 3.43Å; I213-G216 PolarHBondContact O-N 2.79Å; P214-G216 PolarHBondContact O-N 2.99Å; G216-L218 VanDerWaalsContact C-N 3.34Å; G216-L218 PolarHBondContact O-N 3.31Å; G216-G219 PolarHBondContact O-N 2.99Å; G216-G219 VanDerWaalsContact O-N 3.09Å; G216-R243 PolarHBondContact O-NH2 3.48Å; G216-Q361 PolarHBondContact O-NE2 2.73Å
217	L	91.7	Very high	88.4	Confident	53 Å²	53	26.6 Å²	26.6	28%	0.277	15%	0.15	S	C	.	.	H	α-helix	trans	-59.6	-41.8	177	-72.2	171.4	0	0	0	112	M187 L189 I213 P214 G219 P239 E242 R243	M187-L217 WeakPolarHBondContact O-CD1 3.37Å; L189-L217 HydrophobicContact CD2-CD1 4.32Å; L189-L217 HydrophobicContact CD2-CD2 4.47Å; I213-L217 HydrophobicContact CG2-CD1 4.13Å; I213-L217 HydrophobicContact CG2-CG 4.42Å; I213-L217 WeakPolarHBondContact O-CG 3.28Å; I213-L217 PolarHBondContact O-N 3.35Å; P214-L217 PolarHBondContact O-N 3.49Å; L217-G219 PolarHBondContact O-N 3.29Å; L217-G219 VanDerWaalsContact O-N 3.07Å; L217-P239 HydrophobicContact CD2-CB 4.02Å; L217-P239 HydrophobicContact CG-CB 3.99Å; L217-E242 HydrophobicContact CD2-CB 3.82Å; L217-E242 HydrophobicContact CD2-CG 3.76Å; L217-R243 PolarHBondContact O-NH2 2.97Å
218	L	90.4	Very high	87.5	Confident	134 Å²	134	25.2 Å²	25.2	70%	0.702	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-8.8	175.3	-70	172.6	0	0	0	114.7	P214 V215 G216 R220	P214-L218 WeakPolarHBondContact O-CG 3.4Å; P214-L218 PolarHBondContact O-N 2.88Å; V215-L218 PolarHBondContact O-N 3Å; G216-L218 VanDerWaalsContact C-N 3.34Å; G216-L218 PolarHBondContact O-N 3.31Å; L218-R220 VanDerWaalsContact C-N 3.28Å; L218-R220 PolarHBondContact O-N 3.4Å
219	G	89.4	Confident	86.4	Confident	31 Å²	31	27 Å²	27	32%	0.32	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	5.1	174.9	0	0	0	0	0	115.1	G216 L217 Q361	G216-G219 PolarHBondContact O-N 2.99Å; G216-G219 VanDerWaalsContact O-N 3.09Å; L217-G219 PolarHBondContact O-N 3.29Å; L217-G219 VanDerWaalsContact O-N 3.07Å; G219-Q361 VanDerWaalsContact C-NE2 3.25Å; G219-Q361 WeakPolarHBondContact O-CG 3.39Å
220	R	90.4	Very high	85.4	Confident	121 Å²	121	28.5 Å²	28.5	46%	0.457	17%	0.169	S	C	.	.			trans	-76.1	147.3	176.5	-68.2	-175.1	173.8	-157.4	8.6	111.7	E173 L218 Q361 I385	E173-R220 IonicContact OE2-CZ 3.14Å; E173-R220 IonicContact OE2-NH1 3.46Å; E173-R220 PolarHBondContact OE2-NH1 2.91Å; E173-R220 IonicContact OE2-NH2 3.5Å; L218-R220 VanDerWaalsContact C-N 3.28Å; L218-R220 PolarHBondContact O-N 3.4Å; R220-Q361 PolarHBondContact O-NE2 3.21Å; R220-I385 HydrophobicContact CB-CD1 4.28Å; R220-I385 VanDerWaalsContact CD-CD1 3.43Å
221	D	93.4	Very high	85	Confident	13 Å²	13	28.7 Å²	28.7	7%	0.07	18%	0.178	C	C	.	.			trans	-63	145.2	170.6	-80.8	15.3	0	0	0	110.8	Q361 T362 L381 K382 P384 I385	D221-Q361 WeakPolarHBondContact OD1-CA 3.45Å; D221-T362 WeakPolarHBondContact CA-O 3.32Å; D221-T362 PolarHBondContact OD1-N 3.38Å; D221-L381 HydrophobicContact CB-CB 4.43Å; D221-L381 HydrophobicContact CB-CD2 4.36Å; D221-L381 VanDerWaalsContact OD2-CA 3.26Å; D221-L381 WeakPolarHBondContact OD2-CA 3.39Å; D221-K382 PolarHBondContact OD2-N 3.44Å; D221-P384 HydrophobicContact CB-CB 4.13Å; D221-P384 VanDerWaalsContact O-CA 3.31Å; D221-P384 WeakPolarHBondContact O-CA 3.44Å; D221-I385 PolarHBondContact O-N 3.41Å
222	L	92.1	Very high	84.9	Confident	1 Å²	1	28.8 Å²	28.8	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	143.9	-176.5	66.9	92.3	0	0	0	112.7	V215 A224 T362 M363 L364 F365 I385	V215-L222 HydrophobicContact CG1-CB 4.13Å; V215-L222 HydrophobicContact CG1-CD2 4.27Å; L222-A224 HydrophobicContact CD1-CB 3.95Å; L222-T362 PolarHBondContact N-O 2.77Å; L222-M363 HydrophobicContact CD1-CB 3.96Å; L222-M363 HydrophobicContact CD1-CG 4.33Å; L222-M363 HydrophobicContact CD2-CB 4.42Å; L222-M363 HydrophobicContact CD2-CE 4.22Å; L222-M363 HydrophobicContact CD2-CG 3.88Å; L222-M363 HydrophobicContact CD2-SD 4.01Å; L222-M363 HydrophobicContact CG-CB 3.95Å; L222-M363 HydrophobicContact CG-CG 3.87Å; L222-L364 PolarHBondContact O-N 2.92Å; L222-F365 HydrophobicContact CD1-CE1 4.44Å; L222-F365 HydrophobicContact CD1-CE2 3.79Å; L222-F365 HydrophobicContact CD1-CZ 3.69Å; L222-I385 WeakPolarHBondContact CA-O 3.25Å
223	C	91.3	Very high	84.9	Confident	1 Å²	1	30.1 Å²	30.1	1%	0.007	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	100.7	177.9	-168.8	0	0	0	0	109.2	L364 M369 L381 P384 I385 R386 I387	C223-L364 WeakPolarHBondContact CA-O 3.14Å; C223-M369 WeakPolarHBondContact SG-CE 2.98Å; C223-L381 HydrophobicContact CB-CD1 3.85Å; C223-P384 HydrophobicContact CB-CB 4.27Å; C223-I385 PolarHBondContact N-O 3.19Å; C223-R386 HydrophobicContact CB-CG 4.46Å; C223-I387 PolarHBondContact O-N 2.94Å
224	A	89	Confident	84.8	Confident	1 Å²	1	30.2 Å²	30.2	1%	0.008	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	125.5	-165.4	0	0	0	0	0	111.9	I208 L222 L364 F365 S366 I387	I208-A224 HydrophobicContact CD1-CB 4.28Å; L222-A224 HydrophobicContact CD1-CB 3.95Å; A224-L364 PolarHBondContact N-O 3.4Å; A224-F365 HydrophobicContact CB-CD1 3.53Å; A224-F365 HydrophobicContact CB-CE1 3.49Å; A224-F365 VanDerWaalsContact CB-CE1 3.49Å; A224-F365 HydrophobicContact CB-CG 4.22Å; A224-F365 HydrophobicContact CB-CZ 4.14Å; A224-F365 WeakPolarHBondContact O-CA 3.43Å; A224-S366 PolarHBondContact O-N 3.5Å; A224-I387 WeakPolarHBondContact CA-O 3.45Å; A224-I387 HydrophobicContact CB-CB 4.45Å
225	C	84.7	Confident	84.9	Confident	12 Å²	12	27.9 Å²	27.9	8%	0.081	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	112.8	-178.4	-66.4	0	0	0	0	110.7	S366 I387 F388 V389	C225-S366 WeakPolarHBondContact CA-O 3.16Å; C225-I387 PolarHBondContact N-O 2.7Å; C225-F388 HydrophobicContact CB-CD1 3.7Å; C225-F388 HydrophobicContact CB-CE1 4.02Å; C225-V389 PolarHBondContact O-N 3.3Å
226	A	76.9	Confident	85	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.008	17%	0.166	C	C	.	.			trans	-157.8	152	179.6	0	0	0	0	0	111.8	I208 K232 S366	I208-A226 HydrophobicContact CB-CB 4.2Å; I208-A226 HydrophobicContact CD1-CB 3.97Å; I208-A226 HydrophobicContact CG1-CB 3.86Å; A226-K232 HydrophobicContact CB-CG 4.37Å; A226-S366 PolarHBondContact N-O 3.45Å; A226-S366 VanDerWaalsContact N-O 3.09Å
227	A	66.3	Low	85.2	Confident	23 Å²	23	27.1 Å²	27.1	19%	0.19	17%	0.166	C	C	.	.			trans	-62.3	158.4	177.6	0	0	0	0	0	113.8	T230 N392	A227-T230 HydrophobicContact CB-CG2 3.92Å; A227-T230 WeakPolarHBondContact O-CB 3.34Å; A227-T230 VanDerWaalsContact O-CG2 3.31Å; A227-T230 WeakPolarHBondContact O-CG2 3.47Å; A227-T230 PolarHBondContact O-N 3.17Å; A227-T230 PolarHBondContact O-OG1 3.21Å; A227-N392 HydrophobicContact CB-CB 3.91Å; A227-N392 WeakPolarHBondContact CB-OD1 3.43Å
228	T	65.7	Low	85.3	Confident	28 Å²	28	24.6 Å²	24.6	17%	0.172	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	139.5	165.6	55.4	0	0	0	0	110.6	E336 R517	T228-E336 WeakPolarHBondContact CG2-OE1 3.35Å; T228-R517 PolarHBondContact OG1-NH2 2.96Å
229	G	64.6	Low	85.5	Confident	40 Å²	40	18.2 Å²	18.2	41%	0.412	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.9	10.3	-176.4	0	0	0	0	0	115.1
230	T	71.1	Confident	85.8	Confident	39 Å²	39	16.8 Å²	16.8	24%	0.239	11%	0.105	C	C	.	.	S	Bend	trans	-90.2	2.6	175.3	55.4	0	0	0	0	114.1	T206 I208 A227	T206-T230 WeakPolarHBondContact CB-O 3.43Å; T206-T230 WeakPolarHBondContact CG2-O 3.45Å; T206-T230 PolarHBondContact OG1-O 3.01Å; I208-T230 WeakPolarHBondContact CG2-O 3.44Å; A227-T230 HydrophobicContact CB-CG2 3.92Å; A227-T230 WeakPolarHBondContact O-CB 3.34Å; A227-T230 VanDerWaalsContact O-CG2 3.31Å; A227-T230 WeakPolarHBondContact O-CG2 3.47Å; A227-T230 PolarHBondContact O-N 3.17Å; A227-T230 PolarHBondContact O-OG1 3.21Å
231	G	79.9	Confident	85.9	Confident	28 Å²	28	11 Å²	11	29%	0.289	8%	0.083	S	C	.	.	S	Bend	trans	86.1	17	-177.4	0	0	0	0	0	115.5	Q209 T233 A234 A235	Q209-G231 PolarHBondContact NE2-O 3.27Å; G231-T233 PolarHBondContact O-N 3.37Å; G231-T233 VanDerWaalsContact O-N 3.15Å; G231-A234 PolarHBondContact O-N 3.43Å; G231-A235 PolarHBondContact O-N 2.97Å
232	K	87.8	Confident	86	Confident	11 Å²	11	11.8 Å²	11.8	5%	0.048	9%	0.086	C	C	.	.	H	α-helix	trans	-45.5	-42.5	177.5	-63.5	-172.8	-67.8	143.4	0	113.8	A226 A234 A235 F236 D335 F365	A226-K232 HydrophobicContact CB-CG 4.37Å; K232-A234 PolarHBondContact O-N 3.22Å; K232-A235 WeakPolarHBondContact O-CA 3.29Å; K232-A235 VanDerWaalsContact O-CB 3.26Å; K232-A235 WeakPolarHBondContact O-CB 3.49Å; K232-A235 PolarHBondContact O-N 3.19Å; K232-F236 WeakPolarHBondContact O-CD1 3.16Å; K232-F236 PolarHBondContact O-N 2.84Å; K232-F236 VanDerWaalsContact O-N 3.15Å; K232-D335 VanDerWaalsContact NZ-CG 3.32Å; K232-D335 IonicContact NZ-OD1 2.78Å; K232-D335 PolarHBondContact NZ-OD1 2.82Å; K232-D335 IonicContact NZ-OD2 3.23Å; K232-D335 PolarHBondContact NZ-OD2 3.18Å; K232-F365 HydrophobicContact CB-CD1 4.27Å; K232-F365 HydrophobicContact CD-CB 4.41Å; K232-F365 HydrophobicContact CD-CD1 4.28Å; K232-F365 HydrophobicContact CG-CD1 4.34Å
233	T	91	Very high	86	Confident	29 Å²	29	14.6 Å²	14.6	18%	0.178	10%	0.097	C	C	.	.	H	α-helix	trans	-57.7	-48.7	-176.6	-45.8	0	0	0	0	112.1	G231 A235 F236 M237 V269 V272	G231-T233 PolarHBondContact O-N 3.37Å; G231-T233 VanDerWaalsContact O-N 3.15Å; T233-A235 VanDerWaalsContact C-N 3.32Å; T233-F236 HydrophobicContact CG2-CE2 4.32Å; T233-F236 HydrophobicContact CG2-CZ 4.09Å; T233-F236 WeakPolarHBondContact O-CD2 3.27Å; T233-F236 PolarHBondContact O-N 3.09Å; T233-M237 HydrophobicContact CG2-CG 4.3Å; T233-M237 VanDerWaalsContact O-CB 3.29Å; T233-M237 WeakPolarHBondContact O-CB 3.48Å; T233-M237 VanDerWaalsContact O-CG 3.27Å; T233-M237 WeakPolarHBondContact O-CG 3.28Å; T233-M237 PolarHBondContact O-N 3.23Å; T233-V269 HydrophobicContact CG2-CB 4.26Å; T233-V269 HydrophobicContact CG2-CG1 4.07Å; T233-V269 HydrophobicContact CG2-CG2 3.99Å; T233-V272 HydrophobicContact CG2-CB 3.95Å; T233-V272 HydrophobicContact CG2-CG1 3.81Å
234	A	91.3	Very high	86	Confident	3 Å²	3	15 Å²	15	3%	0.025	10%	0.098	C	C	.	.	H	α-helix	trans	-68.8	-32.7	174.6	0	0	0	0	0	111.8	F202 G231 K232 F236 M237 L238 L276	F202-A234 HydrophobicContact CE2-CB 4.06Å; G231-A234 PolarHBondContact O-N 3.43Å; K232-A234 PolarHBondContact O-N 3.22Å; A234-F236 PolarHBondContact O-N 3.15Å; A234-M237 PolarHBondContact O-N 3.45Å; A234-L238 HydrophobicContact CB-CD1 4.15Å; A234-L238 HydrophobicContact CB-CG 4.39Å; A234-L238 VanDerWaalsContact O-CB 3.27Å; A234-L238 WeakPolarHBondContact O-CB 3.45Å; A234-L238 WeakPolarHBondContact O-CG 3.43Å; A234-L238 PolarHBondContact O-N 3.46Å; A234-L276 HydrophobicContact CB-CD1 4.19Å
235	A	92.4	Very high	86.1	Confident	1 Å²	1	17.4 Å²	17.4	1%	0.008	11%	0.113	C	C	.	.	H	α-helix	trans	-60.7	-27.7	178	0	0	0	0	0	113.8	Q209 C212 G231 K232 T233 P239	Q209-A235 HydrophobicContact CB-CB 4.42Å; Q209-A235 HydrophobicContact CG-CB 3.73Å; C212-A235 HydrophobicContact CB-CB 4.17Å; G231-A235 PolarHBondContact O-N 2.97Å; K232-A235 WeakPolarHBondContact O-CA 3.29Å; K232-A235 VanDerWaalsContact O-CB 3.26Å; K232-A235 WeakPolarHBondContact O-CB 3.49Å; K232-A235 PolarHBondContact O-N 3.19Å; T233-A235 VanDerWaalsContact C-N 3.32Å; A235-P239 WeakPolarHBondContact O-CD 3.42Å
236	F	94	Very high	86.3	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-99.3	-35.6	169.5	61.4	-111.2	0	0	0	114.5	K232 T233 A234 L238 P239 V240 V258 V269 I333 D335 M363 F365	K232-F236 WeakPolarHBondContact O-CD1 3.16Å; K232-F236 PolarHBondContact O-N 2.84Å; K232-F236 VanDerWaalsContact O-N 3.15Å; T233-F236 HydrophobicContact CG2-CE2 4.32Å; T233-F236 HydrophobicContact CG2-CZ 4.09Å; T233-F236 WeakPolarHBondContact O-CD2 3.27Å; T233-F236 PolarHBondContact O-N 3.09Å; A234-F236 PolarHBondContact O-N 3.15Å; F236-L238 PolarHBondContact O-N 3.45Å; F236-P239 WeakPolarHBondContact O-CD 3.38Å; F236-P239 WeakPolarHBondContact O-CG 3.24Å; F236-V240 WeakPolarHBondContact O-CB 3.49Å; F236-V240 VanDerWaalsContact O-CG2 3.28Å; F236-V240 WeakPolarHBondContact O-CG2 3.38Å; F236-V240 PolarHBondContact O-N 2.78Å; F236-V258 HydrophobicContact CE2-CG1 4.08Å; F236-V258 HydrophobicContact CZ-CG1 4.26Å; F236-V269 HydrophobicContact CE2-CG1 4.12Å; F236-V269 HydrophobicContact CZ-CG1 4.13Å; F236-V269 HydrophobicContact CZ-CG2 4.44Å; F236-I333 HydrophobicContact CB-CD1 4.15Å; F236-I333 HydrophobicContact CB-CG1 4.44Å; F236-I333 HydrophobicContact CB-CG2 4.46Å; F236-I333 HydrophobicContact CD1-CG2 4.05Å; F236-I333 HydrophobicContact CD2-CD1 3.61Å; F236-I333 HydrophobicContact CD2-CG1 4.41Å; F236-I333 HydrophobicContact CD2-CG2 3.97Å; F236-I333 HydrophobicContact CE1-CG2 4.17Å; F236-I333 HydrophobicContact CE2-CD1 4.29Å; F236-I333 HydrophobicContact CE2-CG2 4.1Å; F236-I333 HydrophobicContact CG-CD1 4.15Å; F236-I333 HydrophobicContact CG-CG2 3.94Å; F236-I333 HydrophobicContact CZ-CG2 4.2Å; F236-D335 HydrophobicContact CE1-CB 4.13Å; F236-D335 HydrophobicContact CZ-CB 4.44Å; F236-M363 HydrophobicContact CB-SD 3.99Å; F236-F365 HydrophobicContact CB-CD2 4.46Å; F236-F365 HydrophobicContact CB-CE2 3.57Å; F236-F365 HydrophobicContact CB-CZ 3.81Å; F236-F365 AromaticContact CD1-CD2 3.77Å; F236-F365 HydrophobicContact CD1-CD2 3.77Å; F236-F365 HydrophobicContact CD1-CE1 4.49Å; F236-F365 AromaticContact CD1-CE2 3.66Å; F236-F365 HydrophobicContact CD1-CE2 3.66Å; F236-F365 HydrophobicContact CD1-CG 4.26Å; F236-F365 HydrophobicContact CD1-CZ 4.05Å; F236-F365 HydrophobicContact CE1-CD2 4.48Å; F236-F365 HydrophobicContact CG-CE2 4.06Å; F236-F365 HydrophobicContact CG-CZ 4.46Å
237	M	95.1	Very high	86.8	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-67.8	-36.2	-178.4	-73.5	-53.7	-48.1	0	0	112.6	T233 A234 V240 L241 A273 L276 V306	T233-M237 HydrophobicContact CG2-CG 4.3Å; T233-M237 VanDerWaalsContact O-CB 3.29Å; T233-M237 WeakPolarHBondContact O-CB 3.48Å; T233-M237 VanDerWaalsContact O-CG 3.27Å; T233-M237 WeakPolarHBondContact O-CG 3.28Å; T233-M237 PolarHBondContact O-N 3.23Å; A234-M237 PolarHBondContact O-N 3.45Å; M237-V240 PolarHBondContact O-N 2.81Å; M237-L241 HydrophobicContact CB-CD1 4.48Å; M237-L241 HydrophobicContact CE-CD1 4.19Å; M237-L241 HydrophobicContact CE-CD2 4.12Å; M237-L241 HydrophobicContact CE-CG 3.95Å; M237-L241 WeakPolarHBondContact O-CB 3.34Å; M237-L241 VanDerWaalsContact O-CG 3.23Å; M237-L241 WeakPolarHBondContact O-CG 3.27Å; M237-L241 PolarHBondContact O-N 2.9Å; M237-A273 HydrophobicContact CE-CB 3.69Å; M237-A273 HydrophobicContact CG-CB 4.34Å; M237-A273 HydrophobicContact SD-CB 4.07Å; M237-L276 HydrophobicContact CB-CD1 3.77Å; M237-V306 HydrophobicContact CE-CG1 4.4Å
238	L	94.6	Very high	87.4	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61.5	-55.5	-179.5	-70.2	172.8	0	0	0	113.7	F184 I193 I197 I213 A234 F236 V240 L241 E242 L276	F184-L238 HydrophobicContact CD1-CD1 4.43Å; F184-L238 HydrophobicContact CE1-CD1 3.81Å; I193-L238 HydrophobicContact CG2-CD2 3.41Å; I193-L238 VanDerWaalsContact CG2-CD2 3.41Å; I197-L238 HydrophobicContact CD1-CD1 4.09Å; I197-L238 HydrophobicContact CD1-CD2 3.75Å; I197-L238 HydrophobicContact CG1-CD1 4.49Å; I197-L238 HydrophobicContact CG1-CD2 3.93Å; I213-L238 HydrophobicContact CD1-CB 4.27Å; I213-L238 HydrophobicContact CD1-CD1 3.62Å; I213-L238 HydrophobicContact CG1-CB 4.48Å; A234-L238 HydrophobicContact CB-CD1 4.15Å; A234-L238 HydrophobicContact CB-CG 4.39Å; A234-L238 VanDerWaalsContact O-CB 3.27Å; A234-L238 WeakPolarHBondContact O-CB 3.45Å; A234-L238 WeakPolarHBondContact O-CG 3.43Å; A234-L238 PolarHBondContact O-N 3.46Å; F236-L238 PolarHBondContact O-N 3.45Å; L238-V240 PolarHBondContact O-N 3.07Å; L238-L241 PolarHBondContact O-N 2.82Å; L238-E242 WeakPolarHBondContact O-CB 3.42Å; L238-E242 PolarHBondContact O-N 3.33Å; L238-L276 HydrophobicContact CD2-CD1 4.38Å; L238-L276 HydrophobicContact CD2-CD2 3.89Å
239	P	94.8	Very high	88.1	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-65.2	-25.6	178.2	25.2	-35	0	0	0	113.3	L217 A235 F236 R243 M363	L217-P239 HydrophobicContact CD2-CB 4.02Å; L217-P239 HydrophobicContact CG-CB 3.99Å; A235-P239 WeakPolarHBondContact O-CD 3.42Å; F236-P239 WeakPolarHBondContact O-CD 3.38Å; F236-P239 WeakPolarHBondContact O-CG 3.24Å; P239-R243 PolarHBondContact O-N 2.78Å; P239-M363 HydrophobicContact CG-CE 4.37Å
240	V	94.6	Very high	88.7	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-71.2	-52.9	174	163.9	0	0	0	0	111.7	F236 M237 L238 E242 R243 L244 V256 I331 I333 M363	F236-V240 WeakPolarHBondContact O-CB 3.49Å; F236-V240 VanDerWaalsContact O-CG2 3.28Å; F236-V240 WeakPolarHBondContact O-CG2 3.38Å; F236-V240 PolarHBondContact O-N 2.78Å; M237-V240 PolarHBondContact O-N 2.81Å; L238-V240 PolarHBondContact O-N 3.07Å; V240-E242 VanDerWaalsContact C-N 3.28Å; V240-E242 PolarHBondContact O-N 2.89Å; V240-R243 PolarHBondContact O-N 3.03Å; V240-L244 HydrophobicContact CG1-CD1 3.97Å; V240-L244 HydrophobicContact CG1-CG 4.47Å; V240-L244 WeakPolarHBondContact O-CG 3.25Å; V240-L244 PolarHBondContact O-N 3.26Å; V240-V256 HydrophobicContact CG1-CB 4.41Å; V240-V256 HydrophobicContact CG1-CG1 3.97Å; V240-V256 HydrophobicContact CG1-CG2 3.74Å; V240-I331 HydrophobicContact CB-CD1 4.44Å; V240-I331 HydrophobicContact CG1-CD1 4.43Å; V240-I331 HydrophobicContact CG2-CD1 3.82Å; V240-I331 HydrophobicContact CG2-CG2 4.01Å; V240-I333 HydrophobicContact CG2-CD1 3.88Å; V240-M363 HydrophobicContact CG2-CE 4.25Å
241	L	94.4	Very high	89.2	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-61.2	-39.9	-179.6	-70.1	170.8	0	0	0	110.5	I193 M237 L238 R243 L244 V245 L276 A277 I282	I193-L241 HydrophobicContact CD1-CB 3.61Å; M237-L241 HydrophobicContact CB-CD1 4.48Å; M237-L241 HydrophobicContact CE-CD1 4.19Å; M237-L241 HydrophobicContact CE-CD2 4.12Å; M237-L241 HydrophobicContact CE-CG 3.95Å; M237-L241 WeakPolarHBondContact O-CB 3.34Å; M237-L241 VanDerWaalsContact O-CG 3.23Å; M237-L241 WeakPolarHBondContact O-CG 3.27Å; M237-L241 PolarHBondContact O-N 2.9Å; L238-L241 PolarHBondContact O-N 2.82Å; L241-R243 PolarHBondContact O-N 3.14Å; L241-L244 CarbonylContact O-C 3.49Å; L241-L244 PolarHBondContact O-N 3.27Å; L241-L244 VanDerWaalsContact O-N 3.14Å; L241-V245 WeakPolarHBondContact O-CG2 3.4Å; L241-V245 PolarHBondContact O-N 3.43Å; L241-L276 HydrophobicContact CD1-CB 3.5Å; L241-L276 VanDerWaalsContact CD1-CB 3.5Å; L241-A277 HydrophobicContact CD1-CB 4.47Å; L241-A277 HydrophobicContact CD2-CB 4.05Å; L241-I282 HydrophobicContact CB-CD1 4.3Å; L241-I282 HydrophobicContact CD2-CB 4.36Å; L241-I282 HydrophobicContact CD2-CD1 3.67Å; L241-I282 HydrophobicContact CD2-CG2 3.92Å
242	E	94.3	Very high	89.4	Confident	29 Å²	29	49.7 Å²	49.7	14%	0.136	25%	0.248	C	C	.	.	H	α-helix	trans	-58.6	-46	176.2	-173	55.9	-138.6	0	0	111.9	L189 S190 I193 L217 L238 V240 L244 V245 Y246	L189-E242 HydrophobicContact CD2-CB 4.34Å; L189-E242 HydrophobicContact CD2-CG 4.36Å; S190-E242 WeakPolarHBondContact CB-OE1 3.38Å; S190-E242 WeakPolarHBondContact CB-OE2 3.44Å; S190-E242 PolarHBondContact N-OE2 2.83Å; S190-E242 PolarHBondContact OG-OE2 3.19Å; I193-E242 HydrophobicContact CD1-CB 4.09Å; I193-E242 VanDerWaalsContact CD1-N 3.32Å; L217-E242 HydrophobicContact CD2-CB 3.82Å; L217-E242 HydrophobicContact CD2-CG 3.76Å; L238-E242 WeakPolarHBondContact O-CB 3.42Å; L238-E242 PolarHBondContact O-N 3.33Å; V240-E242 VanDerWaalsContact C-N 3.28Å; V240-E242 PolarHBondContact O-N 2.89Å; E242-L244 VanDerWaalsContact C-N 3.33Å; E242-L244 PolarHBondContact O-N 3.49Å; E242-V245 PolarHBondContact O-N 2.91Å; E242-Y246 PolarHBondContact O-N 3.19Å
243	R	92.4	Very high	89.4	Confident	61 Å²	61	50.8 Å²	50.8	23%	0.23	26%	0.255	C	S	.	.	H	α-helix	trans	-65.9	-34.3	176.3	-167.6	173.3	-60.5	125.3	9.9	112.7	G216 L217 P239 V240 L241 K247	G216-R243 PolarHBondContact O-NH2 3.48Å; L217-R243 PolarHBondContact O-NH2 2.97Å; P239-R243 PolarHBondContact O-N 2.78Å; V240-R243 PolarHBondContact O-N 3.03Å; L241-R243 PolarHBondContact O-N 3.14Å; R243-K247 WeakPolarHBondContact O-CB 3.43Å; R243-K247 PolarHBondContact O-N 3.01Å
244	L	91.8	Very high	89.5	Confident	8 Å²	8	50 Å²	50	4%	0.042	25%	0.25	C	S	.	.	H	α-helix	trans	-72.3	-28	176.1	-66.6	175.3	0	0	0	113.1	V240 L241 E242 K247 R255 V256 I282 V306	V240-L244 HydrophobicContact CG1-CD1 3.97Å; V240-L244 HydrophobicContact CG1-CG 4.47Å; V240-L244 WeakPolarHBondContact O-CG 3.25Å; V240-L244 PolarHBondContact O-N 3.26Å; L241-L244 CarbonylContact O-C 3.49Å; L241-L244 PolarHBondContact O-N 3.27Å; L241-L244 VanDerWaalsContact O-N 3.14Å; E242-L244 VanDerWaalsContact C-N 3.33Å; E242-L244 PolarHBondContact O-N 3.49Å; L244-K247 CarbonylContact O-C 3.53Å; L244-K247 VanDerWaalsContact O-O 3.09Å; L244-R255 HydrophobicContact CD2-CB 4.2Å; L244-V256 HydrophobicContact CD1-CG2 3.92Å; L244-V256 HydrophobicContact CD2-CG2 4.08Å; L244-V256 HydrophobicContact CG-CG2 4.32Å; L244-I282 HydrophobicContact CB-CD1 3.56Å; L244-I282 HydrophobicContact CB-CG1 4.1Å; L244-I282 HydrophobicContact CD1-CD1 4.37Å; L244-I282 HydrophobicContact CD1-CG2 3.94Å; L244-V306 HydrophobicContact CD1-CG2 3.55Å
245	V	91.6	Very high	89.6	Confident	52 Å²	52	50.4 Å²	50.4	32%	0.315	25%	0.251	S	S	.	.	H	α-helix	trans	-71.7	-50.4	169.9	170.4	0	0	0	0	110.2	I193 L241 E242 K247 T280 I282	I193-V245 HydrophobicContact CD1-CG2 4.38Å; L241-V245 WeakPolarHBondContact O-CG2 3.4Å; L241-V245 PolarHBondContact O-N 3.43Å; E242-V245 PolarHBondContact O-N 2.91Å; V245-K247 VanDerWaalsContact C-N 3.32Å; V245-K247 PolarHBondContact O-N 3.39Å; V245-T280 HydrophobicContact CG2-CG2 3.86Å; V245-I282 HydrophobicContact CG2-CD1 3.82Å
246	Y	88.2	Confident	89.7	Confident	201 Å²	201	50.3 Å²	50.3	79%	0.788	25%	0.251	S	S	*	.	H	α-helix	trans	-63.9	-36.3	-178.8	-173.7	-92.3	0	0	0	112.9	E242 P248	E242-Y246 PolarHBondContact O-N 3.19Å; Y246-P248 VanDerWaalsContact O-CD 3.29Å; Y246-P248 WeakPolarHBondContact O-CD 3.48Å
247	K	87	Confident	89.8	Confident	93 Å²	93	50.3 Å²	50.3	40%	0.404	25%	0.251	S	S	.	.	S	Bend	trans	-111.8	86.1	176.1	-173.4	-177.2	172	-168.5	0	109.5	R243 L244 V245 R255 E330	R243-K247 WeakPolarHBondContact O-CB 3.43Å; R243-K247 PolarHBondContact O-N 3.01Å; L244-K247 CarbonylContact O-C 3.53Å; L244-K247 VanDerWaalsContact O-O 3.09Å; V245-K247 VanDerWaalsContact C-N 3.32Å; V245-K247 PolarHBondContact O-N 3.39Å; K247-R255 PolarHBondContact O-NH1 3.02Å; K247-E330 IonicContact NZ-OE1 2.61Å; K247-E330 PolarHBondContact NZ-OE1 3.49Å; K247-E330 IonicContact NZ-OE2 2.81Å; K247-E330 PolarHBondContact NZ-OE2 2.9Å
248	P	79.6	Confident	89.9	Confident	94 Å²	94	50.3 Å²	50.3	61%	0.61	25%	0.251	S	S	*	.			trans	-61.8	157.1	176	26	-34.7	0	0	0	111.8	Y246	Y246-P248 VanDerWaalsContact O-CD 3.29Å; Y246-P248 WeakPolarHBondContact O-CD 3.48Å
249	R	79.1	Confident	89.9	Confident	110 Å²	110	50.3 Å²	50.3	42%	0.415	25%	0.251	S	S	.	.			trans	-71.4	129.9	-176	68.7	-172.7	-176.8	175.3	1.4	112.2	D305	R249-D305 IonicContact NH1-OD2 3.88Å
250	T	78.4	Confident	89.7	Confident	146 Å²	146	50.3 Å²	50.3	90%	0.896	25%	0.251	S	S	*	.	S	Bend	trans	-87.3	-24.4	171.8	-40.2	0	0	0	0	112.3
251	S	81	Confident	89.3	Confident	64 Å²	64	50.8 Å²	50.8	45%	0.448	25%	0.254	S	S	.	.	S	Bend	trans	-143.1	163.3	-178.2	55.5	0	0	0	0	111.1	V253	S251-V253 VanDerWaalsContact C-N 3.28Å; S251-V253 PolarHBondContact O-N 2.83Å; S251-V253 WeakPolarHBondContact OG-CG2 3.43Å
252	Q	83.4	Confident	88.7	Confident	142 Å²	142	51.8 Å²	51.8	66%	0.664	26%	0.26	S	S	*	.	S	Bend	trans	-81.1	71.7	178	-67.9	178.5	-8	0	0	110.6
253	V	89	Confident	88.1	Confident	33 Å²	33	55 Å²	55	20%	0.2	27%	0.271	C	S	.	.			trans	-130	144.8	-178.3	-60.4	0	0	0	0	111.3	S251 R255 H328	S251-V253 VanDerWaalsContact C-N 3.28Å; S251-V253 PolarHBondContact O-N 2.83Å; S251-V253 WeakPolarHBondContact OG-CG2 3.43Å; V253-R255 HydrophobicContact CG2-CG 4.18Å; V253-R255 PolarHBondContact O-N 2.83Å; V253-H328 HydrophobicContact CB-CB 3.98Å; V253-H328 HydrophobicContact CG2-CB 3.96Å
254	T	92.4	Very high	87.5	Confident	13 Å²	13	52.5 Å²	52.5	8%	0.08	26%	0.262	C	S	.	.			trans	-73.7	123.2	172.5	-62.2	0	0	0	0	110.7	V256 P304 L307 H328	T254-V256 WeakPolarHBondContact CG2-O 3.44Å; T254-P304 WeakPolarHBondContact CA-O 3.39Å; T254-P304 VanDerWaalsContact CB-O 3.31Å; T254-P304 WeakPolarHBondContact CB-O 3.3Å; T254-P304 PolarHBondContact OG1-O 3.44Å; T254-L307 HydrophobicContact CG2-CB 3.7Å; T254-H328 CarbonylContact O-C 3.53Å
255	R	93.5	Very high	87	Confident	11 Å²	11	52.7 Å²	52.7	4%	0.042	26%	0.263	C	S	.	.			trans	-106.3	-21	-174.5	-61.2	-176.1	-72.7	152.4	-6.3	112.6	L244 K247 V253 D305 E330 I331	L244-R255 HydrophobicContact CD2-CB 4.2Å; K247-R255 PolarHBondContact O-NH1 3.02Å; V253-R255 HydrophobicContact CG2-CG 4.18Å; V253-R255 PolarHBondContact O-N 2.83Å; R255-D305 IonicContact CZ-OD1 3.48Å; R255-D305 PolarHBondContact N-O 3.04Å; R255-D305 IonicContact NE-OD1 2.77Å; R255-D305 PolarHBondContact NE-OD1 3.17Å; R255-D305 IonicContact NH2-OD1 2.74Å; R255-D305 PolarHBondContact NH2-OD1 3.19Å; R255-E330 PolarHBondContact O-N 2.89Å; R255-I331 PolarHBondContact O-N 2.85Å
256	V	95.7	Very high	86.9	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	133.1	-179.7	-176.4	0	0	0	0	110.6	V240 L244 T254 V258 D305 V306 L307 I331 I333	V240-V256 HydrophobicContact CG1-CB 4.41Å; V240-V256 HydrophobicContact CG1-CG1 3.97Å; V240-V256 HydrophobicContact CG1-CG2 3.74Å; L244-V256 HydrophobicContact CD1-CG2 3.92Å; L244-V256 HydrophobicContact CD2-CG2 4.08Å; L244-V256 HydrophobicContact CG-CG2 4.32Å; T254-V256 WeakPolarHBondContact CG2-O 3.44Å; V256-V258 HydrophobicContact CG1-CG2 4.29Å; V256-D305 PolarHBondContact N-O 3.31Å; V256-V306 HydrophobicContact CB-CB 4.43Å; V256-V306 HydrophobicContact CB-CG1 4.23Å; V256-V306 HydrophobicContact CB-CG2 4.21Å; V256-V306 HydrophobicContact CG1-CG1 4.16Å; V256-V306 HydrophobicContact CG2-CG2 4.41Å; V256-L307 PolarHBondContact O-N 3.4Å; V256-I331 WeakPolarHBondContact CA-O 3.37Å; V256-I331 HydrophobicContact CG1-CB 4.38Å; V256-I331 HydrophobicContact CG2-CB 4.26Å; V256-I331 HydrophobicContact CG2-CD1 4.4Å; V256-I333 HydrophobicContact CG1-CD1 4.31Å
257	L	96.2	Very high	86.8	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	126.2	171.3	176.3	60.2	0	0	0	110.5	L259 L307 A309 L314 L326 I329 I331 L332 I333 I352	L257-L259 HydrophobicContact CD1-CD2 3.99Å; L257-L259 HydrophobicContact CD2-CD1 4.47Å; L257-L259 HydrophobicContact CD2-CD2 4.07Å; L257-L259 HydrophobicContact CD2-CG 4.23Å; L257-L259 HydrophobicContact CG-CD2 4.05Å; L257-L259 HydrophobicContact CG-CG 4.11Å; L257-L307 CarbonylContact C-O 3.55Å; L257-L307 WeakPolarHBondContact CA-O 3.08Å; L257-L307 HydrophobicContact CD1-CB 4.36Å; L257-L307 HydrophobicContact CD1-CD2 4.21Å; L257-L307 HydrophobicContact CD1-CG 4.13Å; L257-A309 HydrophobicContact CD1-CB 4.28Å; L257-L314 HydrophobicContact CD1-CD1 4.43Å; L257-L314 HydrophobicContact CD1-CD2 3.86Å; L257-L314 HydrophobicContact CD2-CD2 3.69Å; L257-L314 HydrophobicContact CG-CD2 4.41Å; L257-L326 HydrophobicContact CD2-CD1 3.94Å; L257-I329 HydrophobicContact CB-CD1 3.59Å; L257-I329 HydrophobicContact CB-CG1 4.25Å; L257-I329 HydrophobicContact CB-CG2 4.49Å; L257-I329 HydrophobicContact CD2-CD1 3.7Å; L257-I329 HydrophobicContact CG-CD1 4.3Å; L257-I331 PolarHBondContact N-O 3.14Å; L257-L332 HydrophobicContact CB-CD1 4.13Å; L257-L332 HydrophobicContact CD2-CD1 3.94Å; L257-L332 HydrophobicContact CG-CD1 4Å; L257-L332 WeakPolarHBondContact O-CA 3.36Å; L257-I333 PolarHBondContact O-N 2.9Å; L257-I352 HydrophobicContact CD2-CG2 3.89Å
258	V	96.2	Very high	86.7	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	112.9	173.2	-169.5	0	0	0	0	108.9	F236 V256 V260 V269 V306 L307 I308 A309 I333	F236-V258 HydrophobicContact CE2-CG1 4.08Å; F236-V258 HydrophobicContact CZ-CG1 4.26Å; V256-V258 HydrophobicContact CG1-CG2 4.29Å; V258-V260 HydrophobicContact CG1-CG1 4.45Å; V258-V269 HydrophobicContact CG1-CG1 4.18Å; V258-V306 HydrophobicContact CG2-CG1 4.34Å; V258-L307 PolarHBondContact N-O 3.14Å; V258-I308 HydrophobicContact CB-CB 4.43Å; V258-I308 HydrophobicContact CB-CG1 3.86Å; V258-I308 HydrophobicContact CG2-CG1 3.94Å; V258-I308 WeakPolarHBondContact O-CA 3.31Å; V258-A309 PolarHBondContact O-N 2.83Å; V258-I333 HydrophobicContact CB-CB 4.41Å; V258-I333 HydrophobicContact CG1-CB 4.09Å; V258-I333 HydrophobicContact CG1-CG2 3.93Å; V258-I333 HydrophobicContact CG2-CB 4.27Å; V258-I333 HydrophobicContact CG2-CD1 3.89Å
259	L	93.9	Very high	87.3	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	132.4	176.6	-64.1	177.8	0	0	0	110.9	L257 A309 L314 L332 I333 L334 D335 M340 M349 I352	L257-L259 HydrophobicContact CD1-CD2 3.99Å; L257-L259 HydrophobicContact CD2-CD1 4.47Å; L257-L259 HydrophobicContact CD2-CD2 4.07Å; L257-L259 HydrophobicContact CD2-CG 4.23Å; L257-L259 HydrophobicContact CG-CD2 4.05Å; L257-L259 HydrophobicContact CG-CG 4.11Å; L259-A309 WeakPolarHBondContact CA-O 3.22Å; L259-L314 HydrophobicContact CD2-CD2 3.78Å; L259-L332 HydrophobicContact CD1-CD1 4.04Å; L259-L332 HydrophobicContact CG-CD1 4.27Å; L259-I333 PolarHBondContact N-O 2.86Å; L259-L334 HydrophobicContact CB-CD2 4.09Å; L259-L334 HydrophobicContact CD1-CD2 3.77Å; L259-L334 HydrophobicContact CG-CD2 4.33Å; L259-D335 PolarHBondContact O-N 2.74Å; L259-M340 HydrophobicContact CB-CE 4.32Å; L259-M340 HydrophobicContact CB-SD 3.97Å; L259-M349 HydrophobicContact CB-CE 4.13Å; L259-M349 HydrophobicContact CD1-CE 3.52Å; L259-M349 HydrophobicContact CD1-SD 4.1Å; L259-M349 HydrophobicContact CG-CE 4.46Å; L259-I352 HydrophobicContact CD1-CB 4.48Å; L259-I352 HydrophobicContact CD1-CD1 4.48Å; L259-I352 HydrophobicContact CD1-CG2 3.77Å; L259-I352 HydrophobicContact CD2-CD1 4.35Å; L259-I352 HydrophobicContact CD2-CG2 4.37Å
260	V	91.6	Very high	87.9	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.16	C	C	.	.			trans	-133.3	142.1	-178.7	-68.9	0	0	0	0	111.4	V258 T262 L265 V269 A309 T310 P311	V258-V260 HydrophobicContact CG1-CG1 4.45Å; V260-T262 PolarHBondContact O-N 2.88Å; V260-L265 HydrophobicContact CB-CD2 4.23Å; V260-L265 HydrophobicContact CB-CG 4.29Å; V260-L265 HydrophobicContact CG1-CD2 4.12Å; V260-L265 HydrophobicContact CG1-CG 4.03Å; V260-V269 HydrophobicContact CG1-CG2 4.43Å; V260-A309 WeakPolarHBondContact CG2-O 3.48Å; V260-A309 PolarHBondContact N-O 3.5Å; V260-A309 VanDerWaalsContact N-O 3.15Å; V260-T310 HydrophobicContact CG2-CG2 4.14Å; V260-P311 WeakPolarHBondContact O-CD 3.35Å
261	P	85.6	Confident	88.5	Confident	10 Å²	10	24.6 Å²	24.6	7%	0.065	13%	0.126	C	C	.	.	S	Bend	trans	-70.6	-28.9	-179.4	26.2	-36.4	0	0	0	114.1	L265 D335 E336 R339 M340	P261-L265 HydrophobicContact CG-CD2 4.43Å; P261-D335 WeakPolarHBondContact CD-O 3.25Å; P261-E336 HydrophobicContact CG-CB 3.75Å; P261-R339 HydrophobicContact CB-CB 3.93Å; P261-R339 HydrophobicContact CG-CB 4.05Å; P261-M340 HydrophobicContact CB-CG 3.76Å; P261-M340 HydrophobicContact CG-CG 4.21Å
262	T	81.6	Confident	89	Confident	21 Å²	21	23.3 Å²	23.3	13%	0.129	12%	0.116	C	C	.	.	S	Bend	trans	-123.5	148.8	-176	72.7	0	0	0	0	112.3	V260 E264 L265 G266	V260-T262 PolarHBondContact O-N 2.88Å; T262-E264 PolarHBondContact O-N 2.84Å; T262-L265 PolarHBondContact O-N 3.25Å; T262-L265 WeakPolarHBondContact OG1-CB 3.49Å; T262-L265 PolarHBondContact OG1-N 3.08Å; T262-G266 PolarHBondContact O-N 3.13Å; T262-G266 VanDerWaalsContact O-N 3.12Å
263	R	82.8	Confident	89.4	Confident	96 Å²	96	16.5 Å²	16.5	36%	0.362	8%	0.084	S	C	.	.	H	α-helix	trans	-63.7	-35.4	178.8	-55.2	160.7	172.5	-162.6	-4.2	111	G266 I267 V288 G289 T310	R263-G266 PolarHBondContact O-N 3.07Å; R263-I267 WeakPolarHBondContact O-CG1 3.32Å; R263-I267 PolarHBondContact O-N 3.17Å; R263-V288 HydrophobicContact CB-CB 4.01Å; R263-V288 HydrophobicContact CB-CG2 4.29Å; R263-V288 HydrophobicContact CG-CB 4.17Å; R263-G289 WeakPolarHBondContact CD-O 3.2Å; R263-G289 VanDerWaalsContact CZ-C 3.46Å; R263-G289 PolarHBondContact NE-O 2.83Å; R263-G289 VanDerWaalsContact NE-O 3.08Å; R263-G289 PolarHBondContact NH1-O 2.84Å; R263-T310 HydrophobicContact CG-CG2 4.12Å
264	E	78.5	Confident	89.7	Confident	8 Å²	8	18.8 Å²	18.8	4%	0.037	9%	0.089	C	C	.	.	H	α-helix	trans	-66.5	-47.1	-180	-64.4	74.7	-120.3	0	0	111.7	T262 G266 I267 Q268 Q463 R466 L491	T262-E264 PolarHBondContact O-N 2.84Å; E264-G266 VanDerWaalsContact C-N 3.25Å; E264-G266 PolarHBondContact O-N 2.82Å; E264-I267 PolarHBondContact O-N 2.79Å; E264-Q268 WeakPolarHBondContact O-CG 3.46Å; E264-Q268 PolarHBondContact O-N 3.24Å; E264-Q463 PolarHBondContact OE1-NE2 3.04Å; E264-R466 VanDerWaalsContact CD-CZ 3.4Å; E264-R466 IonicContact OE1-CZ 2.76Å; E264-R466 IonicContact OE1-NH1 2.7Å; E264-R466 PolarHBondContact OE1-NH1 2.97Å; E264-R466 IonicContact OE1-NH2 3.66Å; E264-R466 IonicContact OE2-CZ 3.06Å; E264-R466 IonicContact OE2-NH1 2.62Å; E264-R466 PolarHBondContact OE2-NH1 3.21Å; E264-R466 VanDerWaalsContact OE2-NH1 3.1Å; E264-R466 IonicContact OE2-NH2 2.74Å; E264-R466 PolarHBondContact OE2-NH2 3.04Å; E264-L491 HydrophobicContact CB-CD1 4.49Å; E264-L491 HydrophobicContact CB-CD2 3.61Å; E264-L491 HydrophobicContact CB-CG 3.81Å; E264-L491 HydrophobicContact CG-CD1 4.32Å; E264-L491 HydrophobicContact CG-CD2 4.02Å; E264-L491 HydrophobicContact CG-CG 4.17Å
265	L	82.4	Confident	89.7	Confident	12 Å²	12	20 Å²	20	6%	0.063	9%	0.093	C	C	.	.	H	α-helix	trans	-62.1	-36.8	173.5	179.3	60.3	0	0	0	110.8	V260 P261 T262 I267 Q268 V269 E336	V260-L265 HydrophobicContact CB-CD2 4.23Å; V260-L265 HydrophobicContact CB-CG 4.29Å; V260-L265 HydrophobicContact CG1-CD2 4.12Å; V260-L265 HydrophobicContact CG1-CG 4.03Å; P261-L265 HydrophobicContact CG-CD2 4.43Å; T262-L265 PolarHBondContact O-N 3.25Å; T262-L265 WeakPolarHBondContact OG1-CB 3.49Å; T262-L265 PolarHBondContact OG1-N 3.08Å; L265-I267 PolarHBondContact O-N 3.49Å; L265-Q268 PolarHBondContact O-N 3.2Å; L265-V269 HydrophobicContact CD1-CG2 3.89Å; L265-V269 HydrophobicContact CG-CG2 4.17Å; L265-V269 WeakPolarHBondContact O-CB 3.27Å; L265-V269 VanDerWaalsContact O-CG2 3.28Å; L265-V269 WeakPolarHBondContact O-CG2 3.06Å; L265-V269 PolarHBondContact O-N 2.82Å; L265-E336 HydrophobicContact CD2-CB 4.34Å; L265-E336 HydrophobicContact CD2-CG 3.85Å
266	G	88.4	Confident	89.7	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-58.4	-45.5	172.5	0	0	0	0	0	113.5	T262 R263 E264 Q268 H270 L286	T262-G266 PolarHBondContact O-N 3.13Å; T262-G266 VanDerWaalsContact O-N 3.12Å; R263-G266 PolarHBondContact O-N 3.07Å; E264-G266 VanDerWaalsContact C-N 3.25Å; E264-G266 PolarHBondContact O-N 2.82Å; G266-Q268 VanDerWaalsContact C-N 3.34Å; G266-Q268 PolarHBondContact O-N 2.88Å; G266-H270 VanDerWaalsContact O-CB 3.24Å; G266-H270 WeakPolarHBondContact O-CB 3.39Å; G266-H270 PolarHBondContact O-N 3.02Å; G266-L286 WeakPolarHBondContact O-CD1 3.2Å
267	I	86.6	Confident	89.5	Confident	9 Å²	9	19.7 Å²	19.7	5%	0.046	9%	0.093	C	C	.	.	H	α-helix	trans	-61.8	-42.7	175.6	-68	162.8	0	0	0	110.8	M68 R263 E264 L265 H270 S271 L286 L467	M68-I267 HydrophobicContact CE-CG2 4.33Å; M68-I267 HydrophobicContact SD-CG2 4.28Å; R263-I267 WeakPolarHBondContact O-CG1 3.32Å; R263-I267 PolarHBondContact O-N 3.17Å; E264-I267 PolarHBondContact O-N 2.79Å; L265-I267 PolarHBondContact O-N 3.49Å; I267-H270 PolarHBondContact O-N 3.43Å; I267-S271 PolarHBondContact O-N 2.88Å; I267-L286 HydrophobicContact CB-CD2 4.47Å; I267-L286 HydrophobicContact CG1-CD2 3.69Å; I267-L467 HydrophobicContact CD1-CD1 3.92Å; I267-L467 HydrophobicContact CD1-CD2 3.85Å; I267-L467 HydrophobicContact CD1-CG 4.45Å
268	Q	85.3	Confident	89.4	Confident	48 Å²	48	24.1 Å²	24.1	22%	0.224	11%	0.114	C	C	.	.	H	α-helix	trans	-68	-45.2	179.6	-70.4	179.8	-30.3	0	0	112.5	E264 L265 G266 H270 S271 V272 G490 D492	E264-Q268 WeakPolarHBondContact O-CG 3.46Å; E264-Q268 PolarHBondContact O-N 3.24Å; L265-Q268 PolarHBondContact O-N 3.2Å; G266-Q268 VanDerWaalsContact C-N 3.34Å; G266-Q268 PolarHBondContact O-N 2.88Å; Q268-H270 VanDerWaalsContact C-N 3.3Å; Q268-H270 PolarHBondContact O-N 2.68Å; Q268-S271 WeakPolarHBondContact O-CB 3.29Å; Q268-S271 PolarHBondContact O-N 2.9Å; Q268-V272 WeakPolarHBondContact O-CG2 3.31Å; Q268-V272 PolarHBondContact O-N 3.42Å; Q268-V272 VanDerWaalsContact O-N 3.07Å; Q268-G490 PolarHBondContact OE1-O 2.97Å; Q268-D492 PolarHBondContact NE2-O 3.32Å
269	V	91.1	Very high	89.2	Confident	1 Å²	1	27.9 Å²	27.9	1%	0.006	13%	0.131	C	C	.	.	H	α-helix	trans	-62.3	-38	174.2	173.8	0	0	0	0	111	T233 F236 V258 V260 L265 A273 I308	T233-V269 HydrophobicContact CG2-CB 4.26Å; T233-V269 HydrophobicContact CG2-CG1 4.07Å; T233-V269 HydrophobicContact CG2-CG2 3.99Å; F236-V269 HydrophobicContact CE2-CG1 4.12Å; F236-V269 HydrophobicContact CZ-CG1 4.13Å; F236-V269 HydrophobicContact CZ-CG2 4.44Å; V258-V269 HydrophobicContact CG1-CG1 4.18Å; V260-V269 HydrophobicContact CG1-CG2 4.43Å; L265-V269 HydrophobicContact CD1-CG2 3.89Å; L265-V269 HydrophobicContact CG-CG2 4.17Å; L265-V269 WeakPolarHBondContact O-CB 3.27Å; L265-V269 VanDerWaalsContact O-CG2 3.28Å; L265-V269 WeakPolarHBondContact O-CG2 3.06Å; L265-V269 PolarHBondContact O-N 2.82Å; V269-A273 WeakPolarHBondContact O-CB 3.27Å; V269-A273 PolarHBondContact O-N 3.11Å; V269-I308 HydrophobicContact CB-CG2 4.3Å; V269-I308 HydrophobicContact CG1-CD1 3.95Å; V269-I308 HydrophobicContact CG1-CG1 4.17Å; V269-I308 HydrophobicContact CG1-CG2 4.18Å
270	H	92.7	Very high	89.1	Confident	22 Å²	22	29.3 Å²	29.3	10%	0.102	14%	0.14	C	C	.	.	H	α-helix	trans	-68.5	-37.7	175.6	-178.4	-99.3	0	0	0	113.1	G266 I267 Q268 R274 T284 L286 I308	G266-H270 VanDerWaalsContact O-CB 3.24Å; G266-H270 WeakPolarHBondContact O-CB 3.39Å; G266-H270 PolarHBondContact O-N 3.02Å; I267-H270 PolarHBondContact O-N 3.43Å; Q268-H270 VanDerWaalsContact C-N 3.3Å; Q268-H270 PolarHBondContact O-N 2.68Å; H270-R274 VanDerWaalsContact O-CB 3.28Å; H270-R274 WeakPolarHBondContact O-CB 3.5Å; H270-R274 PolarHBondContact O-N 2.75Å; H270-T284 PolarHBondContact NE2-OG1 3.01Å; H270-T284 VanDerWaalsContact NE2-OG1 3.15Å; H270-L286 HydrophobicContact CB-CB 4.35Å; H270-L286 HydrophobicContact CB-CD1 4.06Å; H270-L286 HydrophobicContact CB-CD2 4.42Å; H270-I308 HydrophobicContact CB-CD1 3.88Å
271	S	90.3	Very high	89	Confident	27 Å²	27	34.8 Å²	34.8	19%	0.189	18%	0.178	C	C	.	.	H	α-helix	trans	-58	-55.6	172.2	-168	0	0	0	0	110.9	A67 I267 Q268 A273 R274 Q275	A67-S271 WeakPolarHBondContact CB-OG 3.41Å; I267-S271 PolarHBondContact O-N 2.88Å; Q268-S271 WeakPolarHBondContact O-CB 3.29Å; Q268-S271 PolarHBondContact O-N 2.9Å; S271-A273 PolarHBondContact O-N 3.42Å; S271-R274 PolarHBondContact O-N 2.88Å; S271-Q275 WeakPolarHBondContact O-CG 3.36Å; S271-Q275 PolarHBondContact O-N 3.16Å; S271-Q275 PolarHBondContact O-OE1 2.88Å
272	V	90.9	Very high	89.3	Confident	36 Å²	36	35.1 Å²	35.1	22%	0.218	18%	0.179	C	C	.	.	H	α-helix	trans	-63.7	-39.7	-178.9	175.5	0	0	0	0	111.6	T233 Q268 Q275 L276	T233-V272 HydrophobicContact CG2-CB 3.95Å; T233-V272 HydrophobicContact CG2-CG1 3.81Å; Q268-V272 WeakPolarHBondContact O-CG2 3.31Å; Q268-V272 PolarHBondContact O-N 3.42Å; Q268-V272 VanDerWaalsContact O-N 3.07Å; V272-Q275 PolarHBondContact O-N 3.26Å; V272-L276 HydrophobicContact CG1-CD1 3.85Å; V272-L276 HydrophobicContact CG1-CG 4.33Å; V272-L276 WeakPolarHBondContact O-CB 3.41Å; V272-L276 VanDerWaalsContact O-CG 3.31Å; V272-L276 WeakPolarHBondContact O-CG 3.36Å; V272-L276 PolarHBondContact O-N 3.09Å
273	A	93.8	Very high	89.8	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62	-44.1	175.6	0	0	0	0	0	112.1	M237 V269 S271 L276 A277 T284 I308	M237-A273 HydrophobicContact CE-CB 3.69Å; M237-A273 HydrophobicContact CG-CB 4.34Å; M237-A273 HydrophobicContact SD-CB 4.07Å; V269-A273 WeakPolarHBondContact O-CB 3.27Å; V269-A273 PolarHBondContact O-N 3.11Å; S271-A273 PolarHBondContact O-N 3.42Å; A273-L276 PolarHBondContact O-N 3.13Å; A273-A277 WeakPolarHBondContact O-CB 3.41Å; A273-A277 PolarHBondContact O-N 3.06Å; A273-T284 HydrophobicContact CB-CG2 4.29Å; A273-I308 HydrophobicContact CB-CD1 3.91Å
274	R	93.8	Very high	90.4	Very high	81 Å²	81	33.5 Å²	33.5	31%	0.306	18%	0.18	S	C	.	.	H	α-helix	trans	-68.2	-36.3	178.9	-164.4	178.1	-170.2	-178.9	3	111.9	D70 H270 S271 A277 Q278	D70-R274 IonicContact OD2-CZ 3.38Å; D70-R274 IonicContact OD2-NH1 2.72Å; D70-R274 PolarHBondContact OD2-NH1 2.94Å; D70-R274 IonicContact OD2-NH2 3.08Å; D70-R274 PolarHBondContact OD2-NH2 3.2Å; D70-R274 VanDerWaalsContact OD2-NH2 3.08Å; H270-R274 VanDerWaalsContact O-CB 3.28Å; H270-R274 WeakPolarHBondContact O-CB 3.5Å; H270-R274 PolarHBondContact O-N 2.75Å; S271-R274 PolarHBondContact O-N 2.88Å; R274-A277 PolarHBondContact O-N 3.48Å; R274-Q278 PolarHBondContact O-N 2.72Å; R274-Q278 VanDerWaalsContact O-N 3.15Å
275	Q	92.4	Very high	91.1	Very high	37 Å²	37	33.5 Å²	33.5	17%	0.173	18%	0.18	C	C	.	.	H	α-helix	trans	-68.7	-42.9	174.3	-70.8	169.5	-50.4	0	0	112.5	D64 L200 S271 V272 A277 Q278	D64-Q275 PolarHBondContact OD1-NE2 3.48Å; L200-Q275 HydrophobicContact CD1-CB 4.05Å; L200-Q275 HydrophobicContact CD2-CB 3.95Å; L200-Q275 HydrophobicContact CD2-CG 4.33Å; L200-Q275 HydrophobicContact CG-CB 4.39Å; S271-Q275 WeakPolarHBondContact O-CG 3.36Å; S271-Q275 PolarHBondContact O-N 3.16Å; S271-Q275 PolarHBondContact O-OE1 2.88Å; V272-Q275 PolarHBondContact O-N 3.26Å; Q275-A277 VanDerWaalsContact C-N 3.31Å; Q275-A277 PolarHBondContact O-N 3.22Å; Q275-Q278 WeakPolarHBondContact O-CB 3.21Å; Q275-Q278 WeakPolarHBondContact O-CG 3.44Å; Q275-Q278 PolarHBondContact O-N 2.86Å; Q275-Q278 PolarHBondContact O-NE2 3.43Å
276	L	93.3	Very high	91.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-67.2	-32.3	174.7	-71.7	171.9	0	0	0	112.3	A196 I197 L200 F202 A234 M237 L238 L241 V272 A273 Q278	A196-L276 VanDerWaalsContact CB-O 3.3Å; A196-L276 WeakPolarHBondContact CB-O 3.46Å; I197-L276 HydrophobicContact CG1-CD2 4.4Å; L200-L276 HydrophobicContact CD1-CD2 3.64Å; L200-L276 HydrophobicContact CD1-CG 4.03Å; F202-L276 HydrophobicContact CE2-CD2 4.47Å; A234-L276 HydrophobicContact CB-CD1 4.19Å; M237-L276 HydrophobicContact CB-CD1 3.77Å; L238-L276 HydrophobicContact CD2-CD1 4.38Å; L238-L276 HydrophobicContact CD2-CD2 3.89Å; L241-L276 HydrophobicContact CD1-CB 3.5Å; L241-L276 VanDerWaalsContact CD1-CB 3.5Å; V272-L276 HydrophobicContact CG1-CD1 3.85Å; V272-L276 HydrophobicContact CG1-CG 4.33Å; V272-L276 WeakPolarHBondContact O-CB 3.41Å; V272-L276 VanDerWaalsContact O-CG 3.31Å; V272-L276 WeakPolarHBondContact O-CG 3.36Å; V272-L276 PolarHBondContact O-N 3.09Å; A273-L276 PolarHBondContact O-N 3.13Å; L276-Q278 VanDerWaalsContact C-N 3.35Å
277	A	92.9	Very high	91.9	Very high	5 Å²	5	33.7 Å²	33.7	4%	0.041	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-4.1	176.8	0	0	0	0	0	114.3	L241 A273 R274 Q275 F279 T280 I282	L241-A277 HydrophobicContact CD1-CB 4.47Å; L241-A277 HydrophobicContact CD2-CB 4.05Å; A273-A277 WeakPolarHBondContact O-CB 3.41Å; A273-A277 PolarHBondContact O-N 3.06Å; R274-A277 PolarHBondContact O-N 3.48Å; Q275-A277 VanDerWaalsContact C-N 3.31Å; Q275-A277 PolarHBondContact O-N 3.22Å; A277-F279 PolarHBondContact O-N 2.93Å; A277-T280 WeakPolarHBondContact O-CA 3.17Å; A277-T280 WeakPolarHBondContact O-CB 3.47Å; A277-T280 PolarHBondContact O-N 2.76Å; A277-T280 PolarHBondContact O-OG1 2.62Å; A277-I282 HydrophobicContact CB-CB 4.49Å
278	Q	92.9	Very high	92.1	Very high	94 Å²	94	33.2 Å²	33.2	44%	0.439	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-24	-164.3	75.2	-174	-61.5	0	0	115.8	A196 R274 Q275 L276	A196-Q278 HydrophobicContact CB-CG 4.42Å; R274-Q278 PolarHBondContact O-N 2.72Å; R274-Q278 VanDerWaalsContact O-N 3.15Å; Q275-Q278 WeakPolarHBondContact O-CB 3.21Å; Q275-Q278 WeakPolarHBondContact O-CG 3.44Å; Q275-Q278 PolarHBondContact O-N 2.86Å; Q275-Q278 PolarHBondContact O-NE2 3.43Å; L276-Q278 VanDerWaalsContact C-N 3.35Å
279	F	92.6	Very high	92	Very high	78 Å²	78	31.2 Å²	31.2	34%	0.342	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	15.2	176.6	-58.2	-58.1	0	0	0	113.2	P192 K195 A196 A199 A277	P192-F279 HydrophobicContact CB-CB 4.1Å; K195-F279 HydrophobicContact CB-CD2 3.82Å; K195-F279 HydrophobicContact CB-CE2 4.11Å; K195-F279 HydrophobicContact CD-CD1 4.13Å; K195-F279 HydrophobicContact CD-CD2 3.75Å; K195-F279 HydrophobicContact CD-CE1 4.16Å; K195-F279 HydrophobicContact CD-CE2 3.78Å; K195-F279 HydrophobicContact CD-CG 3.94Å; K195-F279 HydrophobicContact CD-CZ 4Å; K195-F279 HydrophobicContact CG-CD2 3.73Å; K195-F279 HydrophobicContact CG-CE2 3.59Å; K195-F279 HydrophobicContact CG-CG 4.43Å; K195-F279 HydrophobicContact CG-CZ 4.17Å; A196-F279 HydrophobicContact CB-CD2 4.01Å; A196-F279 HydrophobicContact CB-CE2 4.42Å; A199-F279 HydrophobicContact CB-CE2 4.15Å; A277-F279 PolarHBondContact O-N 2.93Å
280	T	91	Very high	91.3	Very high	31 Å²	31	33.1 Å²	33.1	19%	0.19	19%	0.191	C	C	.	.	S	Bend	trans	-120.8	166.8	-178.5	75.1	0	0	0	0	111.2	P192 V245 A277 I282	P192-T280 HydrophobicContact CB-CG2 3.99Å; V245-T280 HydrophobicContact CG2-CG2 3.86Å; A277-T280 WeakPolarHBondContact O-CA 3.17Å; A277-T280 WeakPolarHBondContact O-CB 3.47Å; A277-T280 PolarHBondContact O-N 2.76Å; A277-T280 PolarHBondContact O-OG1 2.62Å; T280-I282 VanDerWaalsContact C-N 3.27Å; T280-I282 HydrophobicContact CG2-CD1 4.44Å; T280-I282 PolarHBondContact O-N 2.74Å; T280-I282 WeakPolarHBondContact OG1-CB 3.33Å; T280-I282 PolarHBondContact OG1-N 3.15Å
281	S	90	Very high	90.7	Very high	114 Å²	114	33.3 Å²	33.3	80%	0.797	19%	0.193	S	C	*	.			trans	-86.1	11	172.1	56.1	0	0	0	0	114
282	I	92.4	Very high	90.4	Very high	18 Å²	18	36.3 Å²	36.3	9%	0.092	21%	0.207	C	C	.	.			trans	-77.8	131	-173.1	-62.7	168	0	0	0	110.5	L241 L244 V245 A277 T280 D305 V306	L241-I282 HydrophobicContact CB-CD1 4.3Å; L241-I282 HydrophobicContact CD2-CB 4.36Å; L241-I282 HydrophobicContact CD2-CD1 3.67Å; L241-I282 HydrophobicContact CD2-CG2 3.92Å; L244-I282 HydrophobicContact CB-CD1 3.56Å; L244-I282 HydrophobicContact CB-CG1 4.1Å; L244-I282 HydrophobicContact CD1-CD1 4.37Å; L244-I282 HydrophobicContact CD1-CG2 3.94Å; V245-I282 HydrophobicContact CG2-CD1 3.82Å; A277-I282 HydrophobicContact CB-CB 4.49Å; T280-I282 VanDerWaalsContact C-N 3.27Å; T280-I282 HydrophobicContact CG2-CD1 4.44Å; T280-I282 PolarHBondContact O-N 2.74Å; T280-I282 WeakPolarHBondContact OG1-CB 3.33Å; T280-I282 PolarHBondContact OG1-N 3.15Å; I282-D305 HydrophobicContact CG2-CB 3.95Å; I282-V306 HydrophobicContact CG2-CG2 4Å
283	T	92.3	Very high	90.1	Very high	52 Å²	52	36.5 Å²	36.5	32%	0.319	21%	0.206	S	C	.	.			trans	-97.8	131.9	-178.5	54.7	0	0	0	0	112.6	P304 D305 V306	T283-P304 WeakPolarHBondContact OG1-CA 3.28Å; T283-D305 PolarHBondContact N-OD2 2.99Å; T283-D305 PolarHBondContact O-N 2.88Å; T283-D305 VanDerWaalsContact O-N 3.15Å; T283-D305 PolarHBondContact OG1-N 3.33Å; T283-D305 PolarHBondContact OG1-OD2 2.87Å; T283-V306 PolarHBondContact O-N 3.12Å
284	T	94	Very high	89.7	Confident	30 Å²	30	43.7 Å²	43.7	18%	0.184	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	141.5	178.3	64.9	0	0	0	0	111.4	H270 A273 V306	H270-T284 PolarHBondContact NE2-OG1 3.01Å; H270-T284 VanDerWaalsContact NE2-OG1 3.15Å; A273-T284 HydrophobicContact CB-CG2 4.29Å; T284-V306 CarbonylContact C-O 3.59Å; T284-V306 WeakPolarHBondContact CA-O 3.31Å; T284-V306 HydrophobicContact CG2-CB 4.33Å
285	C	94.1	Very high	89.4	Confident	8 Å²	8	41.9 Å²	41.9	5%	0.054	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	149.8	175.3	-179.8	0	0	0	0	111.3	P304 V306 L307 I308	C285-P304 HydrophobicContact CB-CB 3.56Å; C285-P304 HydrophobicContact CB-CG 3.47Å; C285-P304 VanDerWaalsContact CB-CG 3.47Å; C285-V306 PolarHBondContact N-O 2.75Å; C285-L307 HydrophobicContact CB-CD1 4.06Å; C285-I308 PolarHBondContact O-N 2.8Å
286	L	94.1	Very high	89.3	Confident	16 Å²	16	40.4 Å²	40.4	8%	0.084	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	112.6	-178.9	179.4	66.8	0	0	0	110.8	G266 I267 H270 V288 L291 I308	G266-L286 WeakPolarHBondContact O-CD1 3.2Å; I267-L286 HydrophobicContact CB-CD2 4.47Å; I267-L286 HydrophobicContact CG1-CD2 3.69Å; H270-L286 HydrophobicContact CB-CB 4.35Å; H270-L286 HydrophobicContact CB-CD1 4.06Å; H270-L286 HydrophobicContact CB-CD2 4.42Å; L286-V288 HydrophobicContact CD1-CG1 3.56Å; L286-V288 HydrophobicContact CD1-CG2 4.27Å; L286-V288 HydrophobicContact CD2-CG2 4.05Å; L286-V288 HydrophobicContact CG-CG1 4.09Å; L286-V288 HydrophobicContact CG-CG2 3.97Å; L286-L291 HydrophobicContact CD2-CD1 3.93Å; L286-L291 HydrophobicContact CG-CD1 4.4Å; L286-I308 CarbonylContact C-O 3.56Å; L286-I308 WeakPolarHBondContact CA-O 3.4Å; L286-I308 HydrophobicContact CD1-CB 4.36Å; L286-I308 HydrophobicContact CD1-CG2 4.04Å
287	A	92.9	Very high	89.1	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	85.2	176.1	0	0	0	0	0	111.1	Q296 L307 I308 A309 T310 R313	A287-Q296 VanDerWaalsContact CA-OE1 3.27Å; A287-L307 HydrophobicContact CB-CD1 3.86Å; A287-I308 PolarHBondContact N-O 3.15Å; A287-A309 HydrophobicContact CB-CB 3.96Å; A287-A309 VanDerWaalsContact O-CA 3.31Å; A287-A309 WeakPolarHBondContact O-CA 3.49Å; A287-T310 PolarHBondContact O-N 2.7Å; A287-T310 VanDerWaalsContact O-N 3.14Å; A287-R313 HydrophobicContact CB-CG 4.22Å; A287-R313 VanDerWaalsContact O-CG 3.28Å; A287-R313 WeakPolarHBondContact O-CG 3.26Å
288	V	90.3	Very high	89	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.26	C	S	.	.			trans	-128.2	140.4	178.8	-57.3	0	0	0	0	112.6	R263 L286 L291 Q296 T310	R263-V288 HydrophobicContact CB-CB 4.01Å; R263-V288 HydrophobicContact CB-CG2 4.29Å; R263-V288 HydrophobicContact CG-CB 4.17Å; L286-V288 HydrophobicContact CD1-CG1 3.56Å; L286-V288 HydrophobicContact CD1-CG2 4.27Å; L286-V288 HydrophobicContact CD2-CG2 4.05Å; L286-V288 HydrophobicContact CG-CG1 4.09Å; L286-V288 HydrophobicContact CG-CG2 3.97Å; V288-L291 HydrophobicContact CG2-CD1 3.67Å; V288-L291 HydrophobicContact CG2-CG 3.94Å; V288-Q296 PolarHBondContact O-NE2 3.4Å; V288-Q296 PolarHBondContact O-OE1 3.39Å; V288-T310 HydrophobicContact CB-CG2 4.44Å; V288-T310 HydrophobicContact CG1-CG2 3.97Å
289	G	83.2	Confident	88.8	Confident	6 Å²	6	43.1 Å²	43.1	6%	0.062	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	146.2	-179.9	0	0	0	0	0	112.3	R263	R263-G289 WeakPolarHBondContact CD-O 3.2Å; R263-G289 VanDerWaalsContact CZ-C 3.46Å; R263-G289 PolarHBondContact NE-O 2.83Å; R263-G289 VanDerWaalsContact NE-O 3.08Å; R263-G289 PolarHBondContact NH1-O 2.84Å
290	G	76.7	Confident	88.8	Confident	41 Å²	41	39.6 Å²	39.6	42%	0.423	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	93	-13.1	178.7	0	0	0	0	0	115.1
291	L	81.7	Confident	88.6	Confident	26 Å²	26	43.2 Å²	43.2	14%	0.136	25%	0.25	C	C	.	.	S	Bend	trans	-78.5	166.1	157.9	-56.7	-177.7	0	0	0	110	V71 L75 L286 V288 Q296	V71-L291 HydrophobicContact CG1-CD2 3.9Å; L75-L291 HydrophobicContact CD1-CD2 3.94Å; L75-L291 HydrophobicContact CD2-CD2 4.04Å; L75-L291 HydrophobicContact CG-CD2 4.3Å; L286-L291 HydrophobicContact CD2-CD1 3.93Å; L286-L291 HydrophobicContact CG-CD1 4.4Å; V288-L291 HydrophobicContact CG2-CD1 3.67Å; V288-L291 HydrophobicContact CG2-CG 3.94Å; L291-Q296 PolarHBondContact O-NE2 3.48Å
292	D	82.3	Confident	88.5	Confident	90 Å²	90	40.6 Å²	40.6	48%	0.481	24%	0.236	S	C	.	.			trans	-60.1	141	173.8	177.5	54.8	0	0	0	111.2	K294 S295 Q296	D292-K294 PolarHBondContact OD2-N 3.21Å; D292-S295 PolarHBondContact O-OG 2.7Å; D292-S295 PolarHBondContact OD2-N 2.75Å; D292-Q296 WeakPolarHBondContact O-CG 3.17Å; D292-Q296 PolarHBondContact O-NE2 3.24Å
293	L	85.6	Confident	88.3	Confident	39 Å²	39	40.1 Å²	40.1	20%	0.204	24%	0.235	C	C	.	.	H	α-helix	trans	-80.9	-39.5	-174.9	-167	155.4	0	0	0	111	Q296 E297 R313 R612	L293-Q296 PolarHBondContact O-N 2.83Å; L293-E297 HydrophobicContact CD2-CG 3.92Å; L293-E297 VanDerWaalsContact CD2-OE1 3.27Å; L293-E297 WeakPolarHBondContact CD2-OE1 3.26Å; L293-E297 PolarHBondContact O-N 2.85Å; L293-R313 VanDerWaalsContact CD1-NH1 3.27Å; L293-R612 VanDerWaalsContact CD2-CZ 3.43Å; L293-R612 VanDerWaalsContact CD2-NH2 3.26Å
294	K	85.8	Confident	88.3	Confident	152 Å²	152	38 Å²	38	66%	0.661	22%	0.222	S	C	*	.	H	α-helix	trans	-70	-36.9	-176.3	-65.7	-172.4	176.5	-173.1	0	111.3	D292 E297 V298	D292-K294 PolarHBondContact OD2-N 3.21Å; K294-E297 PolarHBondContact O-N 3.39Å; K294-V298 WeakPolarHBondContact O-CG2 3.25Å; K294-V298 PolarHBondContact O-N 2.93Å
295	S	87.4	Confident	88.3	Confident	42 Å²	42	36.7 Å²	36.7	29%	0.294	21%	0.214	S	C	.	.	H	α-helix	trans	-61.5	-42.2	171.6	69	0	0	0	0	112.4	D292 V298 A299	D292-S295 PolarHBondContact O-OG 2.7Å; D292-S295 PolarHBondContact OD2-N 2.75Å; S295-V298 PolarHBondContact O-N 3.24Å; S295-A299 WeakPolarHBondContact O-CB 3.43Å; S295-A299 PolarHBondContact O-N 3.4Å
296	Q	90.3	Very high	88.4	Confident	7 Å²	7	36.3 Å²	36.3	3%	0.033	21%	0.211	C	C	.	.	H	α-helix	trans	-62.1	-44.1	175	-76.8	170.7	92.4	0	0	112	A287 V288 L291 D292 L293 V298 A299 L300	A287-Q296 VanDerWaalsContact CA-OE1 3.27Å; V288-Q296 PolarHBondContact O-NE2 3.4Å; V288-Q296 PolarHBondContact O-OE1 3.39Å; L291-Q296 PolarHBondContact O-NE2 3.48Å; D292-Q296 WeakPolarHBondContact O-CG 3.17Å; D292-Q296 PolarHBondContact O-NE2 3.24Å; L293-Q296 PolarHBondContact O-N 2.83Å; Q296-V298 PolarHBondContact O-N 3.44Å; Q296-A299 PolarHBondContact O-N 3.12Å; Q296-L300 WeakPolarHBondContact O-CB 3.39Å; Q296-L300 VanDerWaalsContact O-CG 3.26Å; Q296-L300 WeakPolarHBondContact O-CG 3.42Å; Q296-L300 PolarHBondContact O-N 3.05Å
297	E	89.6	Confident	88.5	Confident	20 Å²	20	35.5 Å²	35.5	9%	0.093	21%	0.207	C	C	.	.	H	α-helix	trans	-63	-40.7	176.6	-67	-172.6	178.1	0	0	113.2	L293 K294 L300 R301 T321 R612	L293-E297 HydrophobicContact CD2-CG 3.92Å; L293-E297 VanDerWaalsContact CD2-OE1 3.27Å; L293-E297 WeakPolarHBondContact CD2-OE1 3.26Å; L293-E297 PolarHBondContact O-N 2.85Å; K294-E297 PolarHBondContact O-N 3.39Å; E297-L300 PolarHBondContact O-N 2.84Å; E297-R301 WeakPolarHBondContact O-CB 3.47Å; E297-R301 VanDerWaalsContact O-CG 3.31Å; E297-R301 WeakPolarHBondContact O-CG 3.49Å; E297-R301 PolarHBondContact O-N 2.94Å; E297-R301 IonicContact OE2-CZ 2.77Å; E297-R301 IonicContact OE2-NH1 3.02Å; E297-R301 PolarHBondContact OE2-NH1 2.84Å; E297-R301 IonicContact OE2-NH2 3.64Å; E297-R301 PolarHBondContact OE2-NH2 3.08Å; E297-T321 HydrophobicContact CB-CG2 4Å; E297-T321 HydrophobicContact CG-CG2 3.9Å; E297-R612 IonicContact OE1-CZ 3.19Å; E297-R612 IonicContact OE1-NH1 3.54Å; E297-R612 IonicContact OE1-NH2 3.77Å; E297-R612 PolarHBondContact OE1-NH2 3.1Å
298	V	89.5	Confident	88.6	Confident	95 Å²	95	35.5 Å²	35.5	58%	0.576	21%	0.207	S	C	*	.	H	α-helix	trans	-65.3	-41.4	176.9	172.2	0	0	0	0	110.6	K294 S295 Q296 R301 A302	K294-V298 WeakPolarHBondContact O-CG2 3.25Å; K294-V298 PolarHBondContact O-N 2.93Å; S295-V298 PolarHBondContact O-N 3.24Å; Q296-V298 PolarHBondContact O-N 3.44Å; V298-R301 PolarHBondContact O-N 2.77Å; V298-A302 PolarHBondContact O-N 3.21Å
299	A	90.1	Very high	88.8	Confident	40 Å²	40	35.5 Å²	35.5	33%	0.331	21%	0.207	S	C	.	.	H	α-helix	trans	-65.5	-36.5	176.1	0	0	0	0	0	113	S295 Q296 A302 P304	S295-A299 WeakPolarHBondContact O-CB 3.43Å; S295-A299 PolarHBondContact O-N 3.4Å; Q296-A299 PolarHBondContact O-N 3.12Å; A299-A302 PolarHBondContact O-N 3.3Å; A299-P304 WeakPolarHBondContact O-CD 3.32Å
300	L	91	Very high	89.3	Confident	5 Å²	5	35.9 Å²	35.9	3%	0.026	21%	0.208	C	C	.	.	H	α-helix	trans	-69.8	-42.3	175.3	-71	171.2	0	0	0	112.3	Q296 E297 A302 G303 P304 L307 H317 F324	Q296-L300 WeakPolarHBondContact O-CB 3.39Å; Q296-L300 VanDerWaalsContact O-CG 3.26Å; Q296-L300 WeakPolarHBondContact O-CG 3.42Å; Q296-L300 PolarHBondContact O-N 3.05Å; E297-L300 PolarHBondContact O-N 2.84Å; L300-A302 PolarHBondContact O-N 2.85Å; L300-G303 PolarHBondContact O-N 3.34Å; L300-G303 VanDerWaalsContact O-N 3.14Å; L300-P304 WeakPolarHBondContact O-CD 3.42Å; L300-L307 HydrophobicContact CD2-CD1 3.64Å; L300-L307 HydrophobicContact CD2-CD2 3.7Å; L300-L307 HydrophobicContact CD2-CG 4.32Å; L300-H317 HydrophobicContact CD1-CB 3.72Å; L300-H317 VanDerWaalsContact CD1-CG 3.45Å; L300-F324 HydrophobicContact CB-CD2 4.18Å; L300-F324 HydrophobicContact CB-CG 4.46Å; L300-F324 HydrophobicContact CD1-CD1 4.42Å; L300-F324 HydrophobicContact CD2-CD2 4.13Å; L300-F324 HydrophobicContact CD2-CE2 3.78Å; L300-F324 HydrophobicContact CD2-CZ 4.04Å
301	R	87.9	Confident	89.9	Confident	106 Å²	106	34 Å²	34	40%	0.4	19%	0.188	S	C	.	.	H	α-helix	trans	-63.7	-17.1	176.2	-72.1	177.7	-166.2	114.1	4.3	113.7	E297 V298 G303	E297-R301 WeakPolarHBondContact O-CB 3.47Å; E297-R301 VanDerWaalsContact O-CG 3.31Å; E297-R301 WeakPolarHBondContact O-CG 3.49Å; E297-R301 PolarHBondContact O-N 2.94Å; E297-R301 IonicContact OE2-CZ 2.77Å; E297-R301 IonicContact OE2-NH1 3.02Å; E297-R301 PolarHBondContact OE2-NH1 2.84Å; E297-R301 IonicContact OE2-NH2 3.64Å; E297-R301 PolarHBondContact OE2-NH2 3.08Å; V298-R301 PolarHBondContact O-N 2.77Å; R301-G303 PolarHBondContact O-N 2.99Å
302	A	88	Confident	90.3	Very high	60 Å²	60	33.7 Å²	33.7	50%	0.496	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-2.3	175.4	0	0	0	0	0	114.2	V298 A299 L300	V298-A302 PolarHBondContact O-N 3.21Å; A299-A302 PolarHBondContact O-N 3.3Å; L300-A302 PolarHBondContact O-N 2.85Å
303	G	88.4	Confident	90.7	Very high	7 Å²	7	31.4 Å²	31.4	7%	0.072	18%	0.176	C	C	.	.			trans	64.4	58	178.5	0	0	0	0	0	114	L300 R301	L300-G303 PolarHBondContact O-N 3.34Å; L300-G303 VanDerWaalsContact O-N 3.14Å; R301-G303 PolarHBondContact O-N 2.99Å
304	P	92.4	Very high	91	Very high	7 Å²	7	29.5 Å²	29.5	5%	0.045	17%	0.166	C	C	.	.			trans	-69.8	134.8	-177.9	29.8	-33.9	0	0	0	111.2	T254 T283 C285 A299 L300 V306	T254-P304 WeakPolarHBondContact CA-O 3.39Å; T254-P304 VanDerWaalsContact CB-O 3.31Å; T254-P304 WeakPolarHBondContact CB-O 3.3Å; T254-P304 PolarHBondContact OG1-O 3.44Å; T283-P304 WeakPolarHBondContact OG1-CA 3.28Å; C285-P304 HydrophobicContact CB-CB 3.56Å; C285-P304 HydrophobicContact CB-CG 3.47Å; C285-P304 VanDerWaalsContact CB-CG 3.47Å; A299-P304 WeakPolarHBondContact O-CD 3.32Å; L300-P304 WeakPolarHBondContact O-CD 3.42Å; P304-V306 VanDerWaalsContact C-N 3.33Å; P304-V306 PolarHBondContact O-N 3.31Å
305	D	93.6	Very high	91.2	Very high	3 Å²	3	22.3 Å²	22.3	2%	0.016	14%	0.135	C	C	.	.	S	Bend	trans	-58.2	-43.6	-177.6	-63.8	-87	0	0	0	112.4	R249 R255 V256 I282 T283	R249-D305 IonicContact NH1-OD2 3.88Å; R255-D305 IonicContact CZ-OD1 3.48Å; R255-D305 PolarHBondContact N-O 3.04Å; R255-D305 IonicContact NE-OD1 2.77Å; R255-D305 PolarHBondContact NE-OD1 3.17Å; R255-D305 IonicContact NH2-OD1 2.74Å; R255-D305 PolarHBondContact NH2-OD1 3.19Å; V256-D305 PolarHBondContact N-O 3.31Å; I282-D305 HydrophobicContact CG2-CB 3.95Å; T283-D305 PolarHBondContact N-OD2 2.99Å; T283-D305 PolarHBondContact O-N 2.88Å; T283-D305 VanDerWaalsContact O-N 3.15Å; T283-D305 PolarHBondContact OG1-N 3.33Å; T283-D305 PolarHBondContact OG1-OD2 2.87Å
306	V	95.4	Very high	91.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	120.9	-179	-173.4	0	0	0	0	110.6	M237 L244 V256 V258 I282 T283 T284 C285 P304 I308	M237-V306 HydrophobicContact CE-CG1 4.4Å; L244-V306 HydrophobicContact CD1-CG2 3.55Å; V256-V306 HydrophobicContact CB-CB 4.43Å; V256-V306 HydrophobicContact CB-CG1 4.23Å; V256-V306 HydrophobicContact CB-CG2 4.21Å; V256-V306 HydrophobicContact CG1-CG1 4.16Å; V256-V306 HydrophobicContact CG2-CG2 4.41Å; V258-V306 HydrophobicContact CG2-CG1 4.34Å; I282-V306 HydrophobicContact CG2-CG2 4Å; T283-V306 PolarHBondContact O-N 3.12Å; T284-V306 CarbonylContact C-O 3.59Å; T284-V306 WeakPolarHBondContact CA-O 3.31Å; T284-V306 HydrophobicContact CG2-CB 4.33Å; C285-V306 PolarHBondContact N-O 2.75Å; P304-V306 VanDerWaalsContact C-N 3.33Å; P304-V306 PolarHBondContact O-N 3.31Å; V306-I308 HydrophobicContact CG1-CG1 4.36Å
307	L	95.8	Very high	91.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	125.6	172.4	178.8	58	0	0	0	111	T254 V256 L257 V258 C285 A287 L300 A309 L314 F324	T254-L307 HydrophobicContact CG2-CB 3.7Å; V256-L307 PolarHBondContact O-N 3.4Å; L257-L307 CarbonylContact C-O 3.55Å; L257-L307 WeakPolarHBondContact CA-O 3.08Å; L257-L307 HydrophobicContact CD1-CB 4.36Å; L257-L307 HydrophobicContact CD1-CD2 4.21Å; L257-L307 HydrophobicContact CD1-CG 4.13Å; V258-L307 PolarHBondContact N-O 3.14Å; C285-L307 HydrophobicContact CB-CD1 4.06Å; A287-L307 HydrophobicContact CB-CD1 3.86Å; L300-L307 HydrophobicContact CD2-CD1 3.64Å; L300-L307 HydrophobicContact CD2-CD2 3.7Å; L300-L307 HydrophobicContact CD2-CG 4.32Å; L307-A309 HydrophobicContact CG-CB 4.37Å; L307-L314 HydrophobicContact CD2-CD1 3.64Å; L307-F324 HydrophobicContact CD2-CE1 4.46Å; L307-F324 HydrophobicContact CD2-CE2 3.93Å; L307-F324 HydrophobicContact CD2-CZ 3.45Å; L307-F324 VanDerWaalsContact CD2-CZ 3.45Å
308	I	96.4	Very high	91.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	120.9	174.2	-64.3	154.1	0	0	0	107.8	V258 V269 H270 A273 C285 L286 A287 V306	V258-I308 HydrophobicContact CB-CB 4.43Å; V258-I308 HydrophobicContact CB-CG1 3.86Å; V258-I308 HydrophobicContact CG2-CG1 3.94Å; V258-I308 WeakPolarHBondContact O-CA 3.31Å; V269-I308 HydrophobicContact CB-CG2 4.3Å; V269-I308 HydrophobicContact CG1-CD1 3.95Å; V269-I308 HydrophobicContact CG1-CG1 4.17Å; V269-I308 HydrophobicContact CG1-CG2 4.18Å; H270-I308 HydrophobicContact CB-CD1 3.88Å; A273-I308 HydrophobicContact CB-CD1 3.91Å; C285-I308 PolarHBondContact O-N 2.8Å; L286-I308 CarbonylContact C-O 3.56Å; L286-I308 WeakPolarHBondContact CA-O 3.4Å; L286-I308 HydrophobicContact CD1-CB 4.36Å; L286-I308 HydrophobicContact CD1-CG2 4.04Å; A287-I308 PolarHBondContact N-O 3.15Å; V306-I308 HydrophobicContact CG1-CG1 4.36Å
309	A	94.6	Very high	91	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	145.4	-167.9	0	0	0	0	0	114.9	L257 V258 L259 V260 A287 L307 L314	L257-A309 HydrophobicContact CD1-CB 4.28Å; V258-A309 PolarHBondContact O-N 2.83Å; L259-A309 WeakPolarHBondContact CA-O 3.22Å; V260-A309 WeakPolarHBondContact CG2-O 3.48Å; V260-A309 PolarHBondContact N-O 3.5Å; V260-A309 VanDerWaalsContact N-O 3.15Å; A287-A309 HydrophobicContact CB-CB 3.96Å; A287-A309 VanDerWaalsContact O-CA 3.31Å; A287-A309 WeakPolarHBondContact O-CA 3.49Å; L307-A309 HydrophobicContact CG-CB 4.37Å; A309-L314 HydrophobicContact CB-CB 4.04Å; A309-L314 HydrophobicContact CB-CD1 4.06Å; A309-L314 HydrophobicContact CB-CD2 4.45Å; A309-L314 HydrophobicContact CB-CG 4.42Å
310	T	92.1	Very high	90.8	Very high	13 Å²	13	20.6 Å²	20.6	8%	0.08	11%	0.111	C	C	.	.			trans	-84.3	133.7	163.6	49.4	0	0	0	0	110.2	V260 R263 A287 V288 G312 R313 L314	V260-T310 HydrophobicContact CG2-CG2 4.14Å; R263-T310 HydrophobicContact CG-CG2 4.12Å; A287-T310 PolarHBondContact O-N 2.7Å; A287-T310 VanDerWaalsContact O-N 3.14Å; V288-T310 HydrophobicContact CB-CG2 4.44Å; V288-T310 HydrophobicContact CG1-CG2 3.97Å; T310-G312 PolarHBondContact O-N 3.36Å; T310-R313 PolarHBondContact O-N 2.67Å; T310-R313 WeakPolarHBondContact OG1-CB 3.28Å; T310-L314 PolarHBondContact O-N 3.21Å
311	P	90.6	Very high	90.5	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.006	11%	0.112	C	C	.	.	H	α-helix	trans	-46.9	-53.5	-171.3	-33.8	36.3	0	0	0	115.5	V260 R313 L314 I315 M340 Q348 M349 I352	V260-P311 WeakPolarHBondContact O-CD 3.35Å; P311-R313 PolarHBondContact O-N 3.2Å; P311-L314 WeakPolarHBondContact O-CB 3.48Å; P311-L314 PolarHBondContact O-N 2.94Å; P311-L314 VanDerWaalsContact O-N 3.12Å; P311-I315 WeakPolarHBondContact O-CG1 3.41Å; P311-I315 PolarHBondContact O-N 3.25Å; P311-M340 HydrophobicContact CG-SD 4.43Å; P311-Q348 HydrophobicContact CB-CB 4.08Å; P311-M349 HydrophobicContact CB-SD 4.01Å; P311-M349 HydrophobicContact CG-SD 3.35Å; P311-M349 WeakPolarHBondContact CG-SD 3.32Å; P311-I352 HydrophobicContact CB-CD1 3.68Å; P311-I352 HydrophobicContact CG-CD1 4.44Å
312	G	88.8	Confident	90	Very high	20 Å²	20	19.5 Å²	19.5	21%	0.206	12%	0.118	C	C	.	.	H	α-helix	trans	-67.3	-18.6	-178.6	0	0	0	0	0	115.3	T310 W614	T310-G312 PolarHBondContact O-N 3.36Å; G312-W614 WeakPolarHBondContact O-CH2 3.49Å; G312-W614 WeakPolarHBondContact O-CZ3 3.47Å
313	R	90.6	Very high	89.6	Confident	42 Å²	42	22.4 Å²	22.4	16%	0.158	14%	0.135	C	C	.	.	H	α-helix	trans	-84.8	-37.8	171.3	173.1	51.7	46.5	-163.8	-13.4	111	A287 L293 T310 P311 I315 D316 H317	A287-R313 HydrophobicContact CB-CG 4.22Å; A287-R313 VanDerWaalsContact O-CG 3.28Å; A287-R313 WeakPolarHBondContact O-CG 3.26Å; L293-R313 VanDerWaalsContact CD1-NH1 3.27Å; T310-R313 PolarHBondContact O-N 2.67Å; T310-R313 WeakPolarHBondContact OG1-CB 3.28Å; P311-R313 PolarHBondContact O-N 3.2Å; R313-I315 VanDerWaalsContact C-N 3.32Å; R313-I315 PolarHBondContact O-N 3.05Å; R313-D316 IonicContact CZ-OD2 3.89Å; R313-D316 IonicContact NH1-OD2 3.57Å; R313-D316 PolarHBondContact NH1-OD2 3.08Å; R313-D316 IonicContact NH2-OD2 2.68Å; R313-D316 PolarHBondContact NH2-OD2 3.46Å; R313-D316 PolarHBondContact O-N 3.17Å; R313-H317 WeakPolarHBondContact CD-CD2 3.49Å; R313-H317 WeakPolarHBondContact CD-NE2 3.5Å; R313-H317 PolarHBondContact NH1-NE2 3.36Å; R313-H317 PolarHBondContact O-CD2 2.74Å; R313-H317 VanDerWaalsContact O-CD2 3.24Å; R313-H317 PolarHBondContact O-N 3.1Å; R313-H317 VanDerWaalsContact O-N 3.14Å
314	L	92.4	Very high	89.5	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.4	-44	175	-171.5	65	0	0	0	111.4	L257 L259 L307 A309 T310 P311 H317 L318 F324 L326 I352	L257-L314 HydrophobicContact CD1-CD1 4.43Å; L257-L314 HydrophobicContact CD1-CD2 3.86Å; L257-L314 HydrophobicContact CD2-CD2 3.69Å; L257-L314 HydrophobicContact CG-CD2 4.41Å; L259-L314 HydrophobicContact CD2-CD2 3.78Å; L307-L314 HydrophobicContact CD2-CD1 3.64Å; A309-L314 HydrophobicContact CB-CB 4.04Å; A309-L314 HydrophobicContact CB-CD1 4.06Å; A309-L314 HydrophobicContact CB-CD2 4.45Å; A309-L314 HydrophobicContact CB-CG 4.42Å; T310-L314 PolarHBondContact O-N 3.21Å; P311-L314 WeakPolarHBondContact O-CB 3.48Å; P311-L314 PolarHBondContact O-N 2.94Å; P311-L314 VanDerWaalsContact O-N 3.12Å; L314-H317 PolarHBondContact O-N 3.09Å; L314-H317 VanDerWaalsContact O-N 3.16Å; L314-L318 HydrophobicContact CD2-CD1 4.5Å; L314-L318 HydrophobicContact CG-CD1 3.98Å; L314-L318 HydrophobicContact CG-CG 4.48Å; L314-L318 WeakPolarHBondContact O-CG 3.38Å; L314-L318 PolarHBondContact O-N 3.16Å; L314-F324 HydrophobicContact CD1-CE1 3.8Å; L314-F324 HydrophobicContact CD1-CZ 3.88Å; L314-L326 HydrophobicContact CD1-CD2 4.43Å; L314-L326 HydrophobicContact CD2-CD1 4.21Å; L314-I352 HydrophobicContact CB-CD1 4.48Å; L314-I352 HydrophobicContact CD2-CD1 4.07Å; L314-I352 HydrophobicContact CD2-CG1 4.12Å; L314-I352 HydrophobicContact CD2-CG2 3.74Å
315	I	89.8	Confident	89.3	Confident	1 Å²	1	28.5 Å²	28.5	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-65.4	-41.4	179.3	-67.2	172.4	0	0	0	112.2	P311 R313 H317 L318 H319 Q348 I352 F615	P311-I315 WeakPolarHBondContact O-CG1 3.41Å; P311-I315 PolarHBondContact O-N 3.25Å; R313-I315 VanDerWaalsContact C-N 3.32Å; R313-I315 PolarHBondContact O-N 3.05Å; I315-H317 VanDerWaalsContact C-N 3.26Å; I315-H317 PolarHBondContact O-N 3.29Å; I315-L318 PolarHBondContact O-N 3.14Å; I315-H319 PolarHBondContact O-CD2 3.22Å; I315-H319 VanDerWaalsContact O-CD2 3.32Å; I315-H319 PolarHBondContact O-N 3.12Å; I315-H319 VanDerWaalsContact O-N 3.12Å; I315-Q348 HydrophobicContact CD1-CB 3.48Å; I315-Q348 VanDerWaalsContact CD1-CB 3.48Å; I315-Q348 HydrophobicContact CD1-CG 3.78Å; I315-I352 HydrophobicContact CD1-CD1 4.05Å; I315-I352 HydrophobicContact CD1-CG1 4.03Å; I315-I352 HydrophobicContact CG1-CD1 3.98Å; I315-I352 HydrophobicContact CG1-CG1 3.76Å; I315-F615 HydrophobicContact CD1-CD1 4.47Å; I315-F615 HydrophobicContact CD1-CE1 4.33Å; I315-F615 HydrophobicContact CD1-CZ 4.47Å; I315-F615 HydrophobicContact CG2-CB 3.65Å; I315-F615 HydrophobicContact CG2-CD1 3.56Å; I315-F615 HydrophobicContact CG2-CE1 4.36Å; I315-F615 HydrophobicContact CG2-CG 3.69Å
316	D	89.1	Confident	89.2	Confident	17 Å²	17	28.6 Å²	28.6	9%	0.091	16%	0.161	C	C	.	.	H	α-helix	trans	-54.7	-45.3	171.2	178.4	-3.6	0	0	0	110.4	R313 N320 R612 W614	R313-D316 IonicContact CZ-OD2 3.89Å; R313-D316 IonicContact NH1-OD2 3.57Å; R313-D316 PolarHBondContact NH1-OD2 3.08Å; R313-D316 IonicContact NH2-OD2 2.68Å; R313-D316 PolarHBondContact NH2-OD2 3.46Å; R313-D316 PolarHBondContact O-N 3.17Å; D316-N320 VanDerWaalsContact O-CB 3.29Å; D316-N320 WeakPolarHBondContact O-CB 3.28Å; D316-N320 PolarHBondContact O-N 3.42Å; D316-N320 PolarHBondContact O-ND2 3.32Å; D316-N320 PolarHBondContact OD1-ND2 3.02Å; D316-R612 IonicContact OD1-CZ 2.74Å; D316-R612 IonicContact OD1-NH1 3.27Å; D316-R612 PolarHBondContact OD1-NH1 3.4Å; D316-W614 HydrophobicContact CB-CZ3 4.36Å
317	H	90.6	Very high	88.9	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-67.5	-38.9	176.9	-75.4	-65.2	0	0	0	113.7	L300 R313 L314 I315 H319 T321 F324	L300-H317 HydrophobicContact CD1-CB 3.72Å; L300-H317 VanDerWaalsContact CD1-CG 3.45Å; R313-H317 WeakPolarHBondContact CD-CD2 3.49Å; R313-H317 WeakPolarHBondContact CD-NE2 3.5Å; R313-H317 PolarHBondContact NH1-NE2 3.36Å; R313-H317 PolarHBondContact O-CD2 2.74Å; R313-H317 VanDerWaalsContact O-CD2 3.24Å; R313-H317 PolarHBondContact O-N 3.1Å; R313-H317 VanDerWaalsContact O-N 3.14Å; L314-H317 PolarHBondContact O-N 3.09Å; L314-H317 VanDerWaalsContact O-N 3.16Å; I315-H317 VanDerWaalsContact C-N 3.26Å; I315-H317 PolarHBondContact O-N 3.29Å; H317-H319 VanDerWaalsContact C-N 3.35Å; H317-H319 PolarHBondContact O-N 3.48Å; H317-T321 VanDerWaalsContact CA-OG1 3.27Å; H317-T321 WeakPolarHBondContact CA-OG1 3.21Å; H317-T321 WeakPolarHBondContact CB-OG1 3.38Å; H317-T321 PolarHBondContact ND1-OG1 2.73Å; H317-T321 WeakPolarHBondContact O-CA 3.42Å; H317-T321 WeakPolarHBondContact O-CB 3.35Å; H317-T321 PolarHBondContact O-N 3.12Å; H317-T321 PolarHBondContact O-OG1 3.47Å; H317-F324 HydrophobicContact CB-CD1 4.18Å; H317-F324 HydrophobicContact CB-CE1 4.38Å
318	L	89.3	Confident	88.6	Confident	29 Å²	29	36.5 Å²	36.5	15%	0.152	21%	0.205	C	C	.	.	H	α-helix	trans	-66	-31.7	179.6	-72.3	165.6	0	0	0	114.1	L314 I315 F324 L326 L355	L314-L318 HydrophobicContact CD2-CD1 4.5Å; L314-L318 HydrophobicContact CG-CD1 3.98Å; L314-L318 HydrophobicContact CG-CG 4.48Å; L314-L318 WeakPolarHBondContact O-CG 3.38Å; L314-L318 PolarHBondContact O-N 3.16Å; I315-L318 PolarHBondContact O-N 3.14Å; L318-F324 HydrophobicContact CD2-CD1 3.69Å; L318-F324 HydrophobicContact CD2-CE1 3.5Å; L318-F324 HydrophobicContact CD2-CZ 4.38Å; L318-F324 HydrophobicContact CG-CD1 4.19Å; L318-F324 HydrophobicContact CG-CE1 3.87Å; L318-L326 HydrophobicContact CD1-CD1 3.87Å; L318-L326 HydrophobicContact CD1-CD2 4.39Å; L318-L326 HydrophobicContact CD1-CG 3.98Å; L318-L326 HydrophobicContact CD2-CD1 4.48Å; L318-L326 HydrophobicContact CD2-CD2 3.79Å; L318-L326 HydrophobicContact CD2-CG 3.68Å; L318-L326 HydrophobicContact CG-CG 4.44Å; L318-L355 HydrophobicContact CD1-CD1 4.01Å
319	H	84.7	Confident	88.4	Confident	87 Å²	87	36.6 Å²	36.6	40%	0.403	21%	0.205	S	C	.	.	H	α-helix	trans	-92.4	-24.7	177.6	-69.5	-74.8	0	0	0	113.9	I315 H317 F615	I315-H319 PolarHBondContact O-CD2 3.22Å; I315-H319 VanDerWaalsContact O-CD2 3.32Å; I315-H319 PolarHBondContact O-N 3.12Å; I315-H319 VanDerWaalsContact O-N 3.12Å; H317-H319 VanDerWaalsContact C-N 3.35Å; H317-H319 PolarHBondContact O-N 3.48Å; H319-F615 VanDerWaalsContact NE2-CB 3.25Å; H319-F615 WeakPolarHBondContact NE2-CB 3.31Å
320	N	85.6	Confident	88.4	Confident	34 Å²	34	39.7 Å²	39.7	18%	0.182	22%	0.22	C	C	.	.	H	α-helix	trans	-120.4	-4.5	-171	-55.4	-78.2	0	0	0	114.9	D316 R612 V613	D316-N320 VanDerWaalsContact O-CB 3.29Å; D316-N320 WeakPolarHBondContact O-CB 3.28Å; D316-N320 PolarHBondContact O-N 3.42Å; D316-N320 PolarHBondContact O-ND2 3.32Å; D316-N320 PolarHBondContact OD1-ND2 3.02Å; N320-R612 HydrophobicContact CB-CG 4.19Å; N320-R612 VanDerWaalsContact OD1-CA 3.23Å; N320-R612 WeakPolarHBondContact OD1-CA 3.38Å; N320-V613 PolarHBondContact ND2-O 2.98Å; N320-V613 PolarHBondContact OD1-N 2.79Å
321	T	83.8	Confident	88.5	Confident	7 Å²	7	39.2 Å²	39.2	4%	0.043	22%	0.217	C	C	.	.	S	Bend	trans	-103.1	110.8	175.1	-45.6	0	0	0	0	109.5	E297 H317 F324	E297-T321 HydrophobicContact CB-CG2 4Å; E297-T321 HydrophobicContact CG-CG2 3.9Å; H317-T321 VanDerWaalsContact CA-OG1 3.27Å; H317-T321 WeakPolarHBondContact CA-OG1 3.21Å; H317-T321 WeakPolarHBondContact CB-OG1 3.38Å; H317-T321 PolarHBondContact ND1-OG1 2.73Å; H317-T321 WeakPolarHBondContact O-CA 3.42Å; H317-T321 WeakPolarHBondContact O-CB 3.35Å; H317-T321 PolarHBondContact O-N 3.12Å; H317-T321 PolarHBondContact O-OG1 3.47Å; T321-F324 HydrophobicContact CG2-CB 4.26Å
322	P	77.2	Confident	88.7	Confident	81 Å²	81	39.2 Å²	39.2	53%	0.526	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	141.9	175	24.3	-34.8	0	0	0	111.1	F324	P322-F324 VanDerWaalsContact C-N 3.35Å; P322-F324 PolarHBondContact O-N 3.38Å
323	S	79.5	Confident	89.1	Confident	122 Å²	122	38.2 Å²	38.2	85%	0.853	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.9	25.3	177.7	-51	0	0	0	0	116
324	F	87.1	Confident	89.2	Confident	15 Å²	15	36.2 Å²	36.2	7%	0.066	20%	0.199	C	C	.	.			trans	-114	121.4	171.3	177.1	-112.3	0	0	0	111.7	L300 L307 L314 H317 L318 T321 P322 L326	L300-F324 HydrophobicContact CB-CD2 4.18Å; L300-F324 HydrophobicContact CB-CG 4.46Å; L300-F324 HydrophobicContact CD1-CD1 4.42Å; L300-F324 HydrophobicContact CD2-CD2 4.13Å; L300-F324 HydrophobicContact CD2-CE2 3.78Å; L300-F324 HydrophobicContact CD2-CZ 4.04Å; L307-F324 HydrophobicContact CD2-CE1 4.46Å; L307-F324 HydrophobicContact CD2-CE2 3.93Å; L307-F324 HydrophobicContact CD2-CZ 3.45Å; L307-F324 VanDerWaalsContact CD2-CZ 3.45Å; L314-F324 HydrophobicContact CD1-CE1 3.8Å; L314-F324 HydrophobicContact CD1-CZ 3.88Å; H317-F324 HydrophobicContact CB-CD1 4.18Å; H317-F324 HydrophobicContact CB-CE1 4.38Å; L318-F324 HydrophobicContact CD2-CD1 3.69Å; L318-F324 HydrophobicContact CD2-CE1 3.5Å; L318-F324 HydrophobicContact CD2-CZ 4.38Å; L318-F324 HydrophobicContact CG-CD1 4.19Å; L318-F324 HydrophobicContact CG-CE1 3.87Å; T321-F324 HydrophobicContact CG2-CB 4.26Å; P322-F324 VanDerWaalsContact C-N 3.35Å; P322-F324 PolarHBondContact O-N 3.38Å; F324-L326 HydrophobicContact CE1-CD2 4.1Å; F324-L326 HydrophobicContact CZ-CD2 3.7Å
325	E	88.8	Confident	89.1	Confident	126 Å²	126	36.3 Å²	36.3	59%	0.589	20%	0.2	S	C	*	.			trans	-137.2	158.3	-176.2	-70	-174.2	-156	0	0	112.6	S327	E325-S327 PolarHBondContact OE2-OG 2.92Å
326	L	90.6	Very high	88.9	Confident	5 Å²	5	36.4 Å²	36.4	3%	0.026	20%	0.2	C	C	.	.	S	Bend	trans	-99.8	3.6	174.9	-58.1	-160.9	0	0	0	113.8	L257 L314 L318 F324 H328 I329 I352 L355	L257-L326 HydrophobicContact CD2-CD1 3.94Å; L314-L326 HydrophobicContact CD1-CD2 4.43Å; L314-L326 HydrophobicContact CD2-CD1 4.21Å; L318-L326 HydrophobicContact CD1-CD1 3.87Å; L318-L326 HydrophobicContact CD1-CD2 4.39Å; L318-L326 HydrophobicContact CD1-CG 3.98Å; L318-L326 HydrophobicContact CD2-CD1 4.48Å; L318-L326 HydrophobicContact CD2-CD2 3.79Å; L318-L326 HydrophobicContact CD2-CG 3.68Å; L318-L326 HydrophobicContact CG-CG 4.44Å; F324-L326 HydrophobicContact CE1-CD2 4.1Å; F324-L326 HydrophobicContact CZ-CD2 3.7Å; L326-H328 PolarHBondContact O-N 2.97Å; L326-H328 VanDerWaalsContact O-N 3.1Å; L326-I329 HydrophobicContact CB-CD1 3.7Å; L326-I329 HydrophobicContact CB-CG1 4.49Å; L326-I329 HydrophobicContact CD1-CD1 4.15Å; L326-I329 HydrophobicContact CD2-CD1 4.06Å; L326-I329 HydrophobicContact CG-CD1 4.15Å; L326-I329 WeakPolarHBondContact O-CG1 3.28Å; L326-I329 PolarHBondContact O-N 3.28Å; L326-I352 HydrophobicContact CD1-CG2 3.79Å; L326-L355 HydrophobicContact CB-CB 4.47Å; L326-L355 WeakPolarHBondContact CB-O 3.1Å; L326-L355 HydrophobicContact CD1-CB 4.31Å
327	S	89.1	Confident	88.6	Confident	61 Å²	61	35.6 Å²	35.6	43%	0.427	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-26.8	-173.6	-52.2	0	0	0	0	114.2	E325	E325-S327 PolarHBondContact OE2-OG 2.92Å
328	H	90.1	Very high	88.1	Confident	106 Å²	106	36.8 Å²	36.8	49%	0.491	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	11.4	-174.5	-62.5	-62.1	0	0	0	115.2	V253 T254 L326 E330	V253-H328 HydrophobicContact CB-CB 3.98Å; V253-H328 HydrophobicContact CG2-CB 3.96Å; T254-H328 CarbonylContact O-C 3.53Å; L326-H328 PolarHBondContact O-N 2.97Å; L326-H328 VanDerWaalsContact O-N 3.1Å; H328-E330 PolarHBondContact O-N 3.43Å
329	I	93.1	Very high	87.4	Confident	2 Å²	2	36.1 Å²	36.1	1%	0.01	20%	0.198	C	C	.	.			trans	-67.3	118.8	178	-66.6	169.1	0	0	0	110.8	L257 L326 I331 L332 C356 S357	L257-I329 HydrophobicContact CB-CD1 3.59Å; L257-I329 HydrophobicContact CB-CG1 4.25Å; L257-I329 HydrophobicContact CB-CG2 4.49Å; L257-I329 HydrophobicContact CD2-CD1 3.7Å; L257-I329 HydrophobicContact CG-CD1 4.3Å; L326-I329 HydrophobicContact CB-CD1 3.7Å; L326-I329 HydrophobicContact CB-CG1 4.49Å; L326-I329 HydrophobicContact CD1-CD1 4.15Å; L326-I329 HydrophobicContact CD2-CD1 4.06Å; L326-I329 HydrophobicContact CG-CD1 4.15Å; L326-I329 WeakPolarHBondContact O-CG1 3.28Å; L326-I329 PolarHBondContact O-N 3.28Å; I329-I331 VanDerWaalsContact CG2-O 3.25Å; I329-I331 WeakPolarHBondContact CG2-O 3.41Å; I329-L332 HydrophobicContact CG2-CB 4.49Å; I329-C356 HydrophobicContact CD1-CB 4.38Å; I329-C356 VanDerWaalsContact CD1-SG 3.56Å; I329-S357 WeakPolarHBondContact O-CB 3.48Å
330	E	93.2	Very high	86.9	Confident	64 Å²	64	32 Å²	32	30%	0.299	18%	0.178	S	C	.	.	S	Bend	trans	-90.9	-26.4	171.9	-54.6	-169.5	175.1	0	0	111.7	K247 R255 H328 R360 Q361	K247-E330 IonicContact NZ-OE1 2.61Å; K247-E330 PolarHBondContact NZ-OE1 3.49Å; K247-E330 IonicContact NZ-OE2 2.81Å; K247-E330 PolarHBondContact NZ-OE2 2.9Å; R255-E330 PolarHBondContact O-N 2.89Å; H328-E330 PolarHBondContact O-N 3.43Å; E330-R360 CarbonylContact O-C 3.53Å; E330-R360 VanDerWaalsContact O-CA 3.27Å; E330-R360 WeakPolarHBondContact O-CA 3.36Å; E330-R360 WeakPolarHBondContact O-CB 3.41Å; E330-Q361 PolarHBondContact O-N 2.39Å
331	I	95.1	Very high	86.2	Confident	4 Å²	4	31.4 Å²	31.4	2%	0.021	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	124.9	-178.8	-44.8	178.3	0	0	0	111.7	V240 R255 V256 L257 I329 I333 Q361 M363	V240-I331 HydrophobicContact CB-CD1 4.44Å; V240-I331 HydrophobicContact CG1-CD1 4.43Å; V240-I331 HydrophobicContact CG2-CD1 3.82Å; V240-I331 HydrophobicContact CG2-CG2 4.01Å; R255-I331 PolarHBondContact O-N 2.85Å; V256-I331 WeakPolarHBondContact CA-O 3.37Å; V256-I331 HydrophobicContact CG1-CB 4.38Å; V256-I331 HydrophobicContact CG2-CB 4.26Å; V256-I331 HydrophobicContact CG2-CD1 4.4Å; L257-I331 PolarHBondContact N-O 3.14Å; I329-I331 VanDerWaalsContact CG2-O 3.25Å; I329-I331 WeakPolarHBondContact CG2-O 3.41Å; I331-I333 HydrophobicContact CG2-CG1 4.42Å; I331-Q361 CarbonylContact C-O 3.54Å; I331-Q361 WeakPolarHBondContact CA-O 3.48Å; I331-Q361 HydrophobicContact CG2-CB 4.4Å; I331-M363 HydrophobicContact CG2-CE 4.39Å
332	L	95.4	Very high	85.4	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	123.4	173.4	175.9	63.6	0	0	0	110.6	L257 L259 I329 L334 I353 Q361 T362 M363	L257-L332 HydrophobicContact CB-CD1 4.13Å; L257-L332 HydrophobicContact CD2-CD1 3.94Å; L257-L332 HydrophobicContact CG-CD1 4Å; L257-L332 WeakPolarHBondContact O-CA 3.36Å; L259-L332 HydrophobicContact CD1-CD1 4.04Å; L259-L332 HydrophobicContact CG-CD1 4.27Å; I329-L332 HydrophobicContact CG2-CB 4.49Å; L332-L334 HydrophobicContact CD1-CD2 4.04Å; L332-L334 HydrophobicContact CD2-CD2 4.2Å; L332-L334 HydrophobicContact CG-CD2 3.98Å; L332-L334 HydrophobicContact CG-CG 4.44Å; L332-I353 HydrophobicContact CD2-CG1 4.17Å; L332-Q361 PolarHBondContact N-O 3Å; L332-T362 HydrophobicContact CB-CG2 4.17Å; L332-T362 HydrophobicContact CD2-CG2 4.05Å; L332-T362 HydrophobicContact CG-CG2 4.15Å; L332-T362 CarbonylContact O-C 3.6Å; L332-T362 VanDerWaalsContact O-CA 3.28Å; L332-T362 WeakPolarHBondContact O-CA 3.31Å; L332-M363 PolarHBondContact O-N 3.15Å
333	I	95.3	Very high	84.4	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	135	174.8	-64.7	154.1	0	0	0	109.7	F236 V240 V256 L257 V258 L259 I331 M363 F365	F236-I333 HydrophobicContact CB-CD1 4.15Å; F236-I333 HydrophobicContact CB-CG1 4.44Å; F236-I333 HydrophobicContact CB-CG2 4.46Å; F236-I333 HydrophobicContact CD1-CG2 4.05Å; F236-I333 HydrophobicContact CD2-CD1 3.61Å; F236-I333 HydrophobicContact CD2-CG1 4.41Å; F236-I333 HydrophobicContact CD2-CG2 3.97Å; F236-I333 HydrophobicContact CE1-CG2 4.17Å; F236-I333 HydrophobicContact CE2-CD1 4.29Å; F236-I333 HydrophobicContact CE2-CG2 4.1Å; F236-I333 HydrophobicContact CG-CD1 4.15Å; F236-I333 HydrophobicContact CG-CG2 3.94Å; F236-I333 HydrophobicContact CZ-CG2 4.2Å; V240-I333 HydrophobicContact CG2-CD1 3.88Å; V256-I333 HydrophobicContact CG1-CD1 4.31Å; L257-I333 PolarHBondContact O-N 2.9Å; V258-I333 HydrophobicContact CB-CB 4.41Å; V258-I333 HydrophobicContact CG1-CB 4.09Å; V258-I333 HydrophobicContact CG1-CG2 3.93Å; V258-I333 HydrophobicContact CG2-CB 4.27Å; V258-I333 HydrophobicContact CG2-CD1 3.89Å; L259-I333 PolarHBondContact N-O 2.86Å; I331-I333 HydrophobicContact CG2-CG1 4.42Å; I333-M363 CarbonylContact C-O 3.59Å; I333-M363 WeakPolarHBondContact CA-O 3.35Å; I333-M363 HydrophobicContact CG1-CB 4.11Å; I333-M363 HydrophobicContact CG1-CG 4.36Å; I333-M363 HydrophobicContact CG1-SD 4.11Å; I333-F365 HydrophobicContact CG2-CD2 4.45Å
334	L	93.1	Very high	83.7	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	96.4	178.4	-51.9	179.6	0	0	0	108.8	L259 L332 M340 M349 T362 M363 L364 F365 L376	L259-L334 HydrophobicContact CB-CD2 4.09Å; L259-L334 HydrophobicContact CD1-CD2 3.77Å; L259-L334 HydrophobicContact CG-CD2 4.33Å; L332-L334 HydrophobicContact CD1-CD2 4.04Å; L332-L334 HydrophobicContact CD2-CD2 4.2Å; L332-L334 HydrophobicContact CG-CD2 3.98Å; L332-L334 HydrophobicContact CG-CG 4.44Å; L334-M340 HydrophobicContact CB-CE 3.77Å; L334-M340 HydrophobicContact CD2-CE 4.39Å; L334-M349 HydrophobicContact CD2-CE 3.72Å; L334-T362 HydrophobicContact CD1-CG2 4.43Å; L334-M363 PolarHBondContact N-O 2.85Å; L334-L364 HydrophobicContact CB-CG 4.37Å; L334-L364 HydrophobicContact CD1-CD1 4.31Å; L334-L364 HydrophobicContact CD1-CG 4.47Å; L334-F365 PolarHBondContact O-N 3.42Å; L334-L376 HydrophobicContact CD1-CD2 4.48Å
335	D	90.8	Very high	82.9	Confident	2 Å²	2	40.7 Å²	40.7	1%	0.011	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	144.8	178.9	-165.8	33.1	0	0	0	113.5	K232 F236 L259 P261 A337 M340 F365	K232-D335 VanDerWaalsContact NZ-CG 3.32Å; K232-D335 IonicContact NZ-OD1 2.78Å; K232-D335 PolarHBondContact NZ-OD1 2.82Å; K232-D335 IonicContact NZ-OD2 3.23Å; K232-D335 PolarHBondContact NZ-OD2 3.18Å; F236-D335 HydrophobicContact CE1-CB 4.13Å; F236-D335 HydrophobicContact CZ-CB 4.44Å; L259-D335 PolarHBondContact O-N 2.74Å; P261-D335 WeakPolarHBondContact CD-O 3.25Å; D335-A337 VanDerWaalsContact C-N 3.28Å; D335-A337 PolarHBondContact O-N 3.24Å; D335-M340 WeakPolarHBondContact O-CE 3.48Å; D335-F365 WeakPolarHBondContact OD1-CB 3.5Å
336	E	85.8	Confident	82.4	Confident	2 Å²	2	36.5 Å²	36.5	1%	0.009	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	47.9	-169.4	-62.8	-163.4	138.4	0	0	112.2	T228 P261 L265 D338 R339 M340 F365 G490	T228-E336 WeakPolarHBondContact CG2-OE1 3.35Å; P261-E336 HydrophobicContact CG-CB 3.75Å; L265-E336 HydrophobicContact CD2-CB 4.34Å; L265-E336 HydrophobicContact CD2-CG 3.85Å; E336-D338 PolarHBondContact O-N 3.27Å; E336-D338 VanDerWaalsContact O-N 3.12Å; E336-R339 PolarHBondContact O-N 3.16Å; E336-R339 IonicContact OE1-CZ 2.75Å; E336-R339 IonicContact OE1-NH1 3.97Å; E336-R339 PolarHBondContact OE1-NH1 2.88Å; E336-R339 IonicContact OE1-NH2 3.32Å; E336-R339 PolarHBondContact OE1-NH2 3.27Å; E336-R339 IonicContact OE2-CZ 3.21Å; E336-R339 VanDerWaalsContact OE2-CZ 3.28Å; E336-R339 IonicContact OE2-NE 2.84Å; E336-R339 IonicContact OE2-NH1 2.83Å; E336-R339 PolarHBondContact OE2-NH1 3.13Å; E336-R339 IonicContact OE2-NH2 3.96Å; E336-M340 PolarHBondContact O-N 3.01Å; E336-F365 PolarHBondContact N-O 3.37Å; E336-G490 WeakPolarHBondContact OE2-CA 3.39Å
337	A	83.6	Confident	81.8	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-29	-177.3	0	0	0	0	0	113.8	D335 R339 M340 L341 L364 F365 L376	D335-A337 VanDerWaalsContact C-N 3.28Å; D335-A337 PolarHBondContact O-N 3.24Å; A337-R339 PolarHBondContact O-N 3Å; A337-R339 VanDerWaalsContact O-N 3.16Å; A337-M340 HydrophobicContact CB-CE 4.48Å; A337-M340 PolarHBondContact O-N 3.14Å; A337-L341 WeakPolarHBondContact O-CG 3.23Å; A337-L364 HydrophobicContact CB-CD1 4.25Å; A337-L364 HydrophobicContact CB-CD2 3.65Å; A337-L364 HydrophobicContact CB-CG 3.79Å; A337-F365 PolarHBondContact N-O 2.97Å; A337-L376 HydrophobicContact CB-CD2 4.26Å
338	D	78.7	Confident	81.6	Confident	26 Å²	26	36.6 Å²	36.6	14%	0.139	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-7.7	173.4	65.3	-8.6	0	0	0	114.9	E336 S366 T368 V373	E336-D338 PolarHBondContact O-N 3.27Å; E336-D338 VanDerWaalsContact O-N 3.12Å; D338-S366 VanDerWaalsContact CB-OG 3.31Å; D338-S366 WeakPolarHBondContact CB-OG 3.49Å; D338-S366 VanDerWaalsContact CG-OG 3.27Å; D338-T368 WeakPolarHBondContact OD2-CB 3.35Å; D338-T368 PolarHBondContact OD2-N 3.44Å; D338-T368 PolarHBondContact OD2-OG1 3.37Å; D338-V373 HydrophobicContact CB-CG2 3.7Å
339	R	74.9	Confident	81.4	Confident	15 Å²	15	31.6 Å²	31.6	6%	0.057	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-20.3	173.2	-54.7	-176	-161.3	147.3	22.4	113.2	P261 E336 A337 L341	P261-R339 HydrophobicContact CB-CB 3.93Å; P261-R339 HydrophobicContact CG-CB 4.05Å; E336-R339 PolarHBondContact O-N 3.16Å; E336-R339 IonicContact OE1-CZ 2.75Å; E336-R339 IonicContact OE1-NH1 3.97Å; E336-R339 PolarHBondContact OE1-NH1 2.88Å; E336-R339 IonicContact OE1-NH2 3.32Å; E336-R339 PolarHBondContact OE1-NH2 3.27Å; E336-R339 IonicContact OE2-CZ 3.21Å; E336-R339 VanDerWaalsContact OE2-CZ 3.28Å; E336-R339 IonicContact OE2-NE 2.84Å; E336-R339 IonicContact OE2-NH1 2.83Å; E336-R339 PolarHBondContact OE2-NH1 3.13Å; E336-R339 IonicContact OE2-NH2 3.96Å; A337-R339 PolarHBondContact O-N 3Å; A337-R339 VanDerWaalsContact O-N 3.16Å; R339-L341 PolarHBondContact O-N 2.81Å
340	M	74.4	Confident	80.9	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	0.6	169	-62.8	-164.8	-68.2	0	0	112.9	L259 P261 P311 L334 D335 E336 A337 F345 M349	L259-M340 HydrophobicContact CB-CE 4.32Å; L259-M340 HydrophobicContact CB-SD 3.97Å; P261-M340 HydrophobicContact CB-CG 3.76Å; P261-M340 HydrophobicContact CG-CG 4.21Å; P311-M340 HydrophobicContact CG-SD 4.43Å; L334-M340 HydrophobicContact CB-CE 3.77Å; L334-M340 HydrophobicContact CD2-CE 4.39Å; D335-M340 WeakPolarHBondContact O-CE 3.48Å; E336-M340 PolarHBondContact O-N 3.01Å; A337-M340 HydrophobicContact CB-CE 4.48Å; A337-M340 PolarHBondContact O-N 3.14Å; M340-F345 VanDerWaalsContact O-CB 3.29Å; M340-F345 WeakPolarHBondContact O-CB 3.32Å; M340-M349 HydrophobicContact CB-CE 4.27Å; M340-M349 HydrophobicContact CB-CG 4.14Å; M340-M349 HydrophobicContact CB-SD 4.1Å; M340-M349 HydrophobicContact CE-CE 3.72Å; M340-M349 HydrophobicContact CG-SD 4.42Å; M340-M349 HydrophobicContact SD-CE 3.65Å; M340-M349 HydrophobicContact SD-SD 3.8Å
341	L	69.9	Low	80.6	Confident	21 Å²	21	35 Å²	35	11%	0.11	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	0.9	178.9	-68.9	170.1	0	0	0	114.7	A337 R339 E346 E372 V373 L376	A337-L341 WeakPolarHBondContact O-CG 3.23Å; R339-L341 PolarHBondContact O-N 2.81Å; L341-E346 HydrophobicContact CD2-CG 4.12Å; L341-E372 HydrophobicContact CB-CB 4.38Å; L341-E372 HydrophobicContact CD1-CB 4Å; L341-E372 WeakPolarHBondContact CD1-O 3.33Å; L341-V373 HydrophobicContact CD1-CB 4.34Å; L341-V373 HydrophobicContact CD1-CG2 3.84Å; L341-L376 HydrophobicContact CD1-CB 3.78Å; L341-L376 HydrophobicContact CD1-CD2 3.78Å; L341-L376 HydrophobicContact CD1-CG 4.39Å; L341-L376 HydrophobicContact CD2-CB 4.05Å; L341-L376 HydrophobicContact CD2-CD1 4.33Å; L341-L376 HydrophobicContact CD2-CD2 3.99Å; L341-L376 HydrophobicContact CD2-CG 4.33Å; L341-L376 HydrophobicContact CG-CB 4.43Å; L341-L376 HydrophobicContact CG-CD2 3.94Å
342	D	67.3	Low	80.3	Confident	88 Å²	88	34.8 Å²	34.8	47%	0.471	16%	0.158	S	C	.	.	S	Bend	trans	-55.2	150.6	164	-83	-36	0	0	0	109.9	Y344 F345	D342-Y344 PolarHBondContact O-N 2.68Å; D342-F345 PolarHBondContact O-N 3.22Å; D342-F345 VanDerWaalsContact O-N 3.07Å
343	E	56.1	Low	79.9	Confident	122 Å²	122	35.6 Å²	35.6	57%	0.57	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-45.1	-17	-168.8	-74.4	-170.4	-162	0	0	116.3	K653	E343-K653 IonicContact OE1-NZ 2.78Å; E343-K653 PolarHBondContact OE1-NZ 2.87Å; E343-K653 IonicContact OE2-NZ 2.79Å
344	Y	64.6	Low	79.5	Confident	151 Å²	151	44.2 Å²	44.2	59%	0.592	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-21.2	-173.3	-59	-80.6	0	0	0	115.7	D342 Q348	D342-Y344 PolarHBondContact O-N 2.68Å; Y344-Q348 PolarHBondContact O-NE2 3.02Å
345	F	71.4	Confident	79.3	Confident	60 Å²	60	47.4 Å²	47.4	26%	0.263	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-24.3	-169.8	-68	-60.1	0	0	0	114.6	M340 D342 E347 Q348 M349	M340-F345 VanDerWaalsContact O-CB 3.29Å; M340-F345 WeakPolarHBondContact O-CB 3.32Å; D342-F345 PolarHBondContact O-N 3.22Å; D342-F345 VanDerWaalsContact O-N 3.07Å; F345-E347 VanDerWaalsContact C-N 3.33Å; F345-E347 PolarHBondContact O-N 3.26Å; F345-Q348 WeakPolarHBondContact O-CA 3.38Å; F345-Q348 WeakPolarHBondContact O-CB 3.46Å; F345-Q348 PolarHBondContact O-N 2.67Å; F345-M349 WeakPolarHBondContact O-CG 3.2Å; F345-M349 PolarHBondContact O-N 2.66Å
346	E	77.3	Confident	79.3	Confident	38 Å²	38	47.7 Å²	47.7	18%	0.178	21%	0.214	C	C	.	.	H	α-helix	trans	-53.2	-43.9	-174.7	-171.2	-163.4	170.4	0	0	113.8	L341 Q348 M349 K350 K628	L341-E346 HydrophobicContact CD2-CG 4.12Å; E346-Q348 VanDerWaalsContact C-N 3.35Å; E346-Q348 PolarHBondContact O-N 2.86Å; E346-M349 PolarHBondContact O-N 3Å; E346-K350 HydrophobicContact CG-CD 4.49Å; E346-K350 WeakPolarHBondContact O-CG 3.44Å; E346-K350 PolarHBondContact O-N 2.68Å; E346-K350 VanDerWaalsContact OE1-CE 3.28Å; E346-K350 WeakPolarHBondContact OE1-CE 3.26Å; E346-K350 IonicContact OE1-NZ 3.1Å; E346-K350 PolarHBondContact OE1-NZ 2.81Å; E346-K628 IonicContact OE2-NZ 2.79Å; E346-K628 PolarHBondContact OE2-NZ 2.95Å
347	E	79.4	Confident	79.3	Confident	49 Å²	49	49.2 Å²	49.2	23%	0.229	23%	0.225	C	C	.	.	H	α-helix	trans	-64	-39.4	177.3	-63.5	-177.3	170.4	0	0	112.1	F345 K350 E351 Q616 S624	F345-E347 VanDerWaalsContact C-N 3.33Å; F345-E347 PolarHBondContact O-N 3.26Å; E347-K350 PolarHBondContact O-N 2.9Å; E347-E351 PolarHBondContact O-N 2.93Å; E347-E351 VanDerWaalsContact O-N 3.14Å; E347-Q616 PolarHBondContact OE2-NE2 3.27Å; E347-Q616 PolarHBondContact OE2-OE1 3.48Å; E347-S624 WeakPolarHBondContact OE1-CB 3.26Å; E347-S624 PolarHBondContact OE1-OG 3.05Å
348	Q	85.4	Confident	79.3	Confident	19 Å²	19	58.4 Å²	58.4	9%	0.089	26%	0.261	C	S	.	.	H	α-helix	trans	-67	-42.8	178	-63.4	173.1	29.2	0	0	110.6	P311 I315 Y344 F345 E346 E351 I352 F615	P311-Q348 HydrophobicContact CB-CB 4.08Å; I315-Q348 HydrophobicContact CD1-CB 3.48Å; I315-Q348 VanDerWaalsContact CD1-CB 3.48Å; I315-Q348 HydrophobicContact CD1-CG 3.78Å; Y344-Q348 PolarHBondContact O-NE2 3.02Å; F345-Q348 WeakPolarHBondContact O-CA 3.38Å; F345-Q348 WeakPolarHBondContact O-CB 3.46Å; F345-Q348 PolarHBondContact O-N 2.67Å; E346-Q348 VanDerWaalsContact C-N 3.35Å; E346-Q348 PolarHBondContact O-N 2.86Å; Q348-E351 PolarHBondContact O-N 3.38Å; Q348-I352 WeakPolarHBondContact O-CD1 3.31Å; Q348-I352 VanDerWaalsContact O-CG1 3.27Å; Q348-I352 WeakPolarHBondContact O-CG1 3.2Å; Q348-I352 PolarHBondContact O-N 3.18Å; Q348-F615 HydrophobicContact CG-CE1 4.05Å; Q348-F615 HydrophobicContact CG-CZ 3.92Å
349	M	84.8	Confident	79.8	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-60.7	-46.5	176.4	-65.7	-57.2	-66.3	0	0	111.6	L259 P311 L334 M340 F345 E346 E351 I352 I353	L259-M349 HydrophobicContact CB-CE 4.13Å; L259-M349 HydrophobicContact CD1-CE 3.52Å; L259-M349 HydrophobicContact CD1-SD 4.1Å; L259-M349 HydrophobicContact CG-CE 4.46Å; P311-M349 HydrophobicContact CB-SD 4.01Å; P311-M349 HydrophobicContact CG-SD 3.35Å; P311-M349 WeakPolarHBondContact CG-SD 3.32Å; L334-M349 HydrophobicContact CD2-CE 3.72Å; M340-M349 HydrophobicContact CB-CE 4.27Å; M340-M349 HydrophobicContact CB-CG 4.14Å; M340-M349 HydrophobicContact CB-SD 4.1Å; M340-M349 HydrophobicContact CE-CE 3.72Å; M340-M349 HydrophobicContact CG-SD 4.42Å; M340-M349 HydrophobicContact SD-CE 3.65Å; M340-M349 HydrophobicContact SD-SD 3.8Å; F345-M349 WeakPolarHBondContact O-CG 3.2Å; F345-M349 PolarHBondContact O-N 2.66Å; E346-M349 PolarHBondContact O-N 3Å; M349-E351 VanDerWaalsContact C-N 3.32Å; M349-E351 PolarHBondContact O-N 3Å; M349-I352 PolarHBondContact O-N 2.92Å; M349-I353 HydrophobicContact CB-CD1 4.48Å; M349-I353 WeakPolarHBondContact O-CB 3.47Å; M349-I353 WeakPolarHBondContact O-CD1 3.21Å; M349-I353 WeakPolarHBondContact O-CG1 3.49Å; M349-I353 PolarHBondContact O-N 3.14Å
350	K	83	Confident	80.6	Confident	107 Å²	107	64.8 Å²	64.8	47%	0.465	29%	0.294	S	S	.	.	H	α-helix	trans	-61.3	-39.8	178.7	-73.3	175.3	-175	174.2	0	112.3	E346 E347 R354	E346-K350 HydrophobicContact CG-CD 4.49Å; E346-K350 WeakPolarHBondContact O-CG 3.44Å; E346-K350 PolarHBondContact O-N 2.68Å; E346-K350 VanDerWaalsContact OE1-CE 3.28Å; E346-K350 WeakPolarHBondContact OE1-CE 3.26Å; E346-K350 IonicContact OE1-NZ 3.1Å; E346-K350 PolarHBondContact OE1-NZ 2.81Å; E347-K350 PolarHBondContact O-N 2.9Å; K350-R354 WeakPolarHBondContact O-CB 3.37Å; K350-R354 PolarHBondContact O-N 2.71Å
351	E	85.9	Confident	81.6	Confident	31 Å²	31	65.3 Å²	65.3	15%	0.145	30%	0.296	C	S	.	.	H	α-helix	trans	-67.3	-45.9	177.3	-172.4	55.2	-152.7	0	0	112.1	E347 Q348 M349 I353 R354 L355 F615	E347-E351 PolarHBondContact O-N 2.93Å; E347-E351 VanDerWaalsContact O-N 3.14Å; Q348-E351 PolarHBondContact O-N 3.38Å; M349-E351 VanDerWaalsContact C-N 3.32Å; M349-E351 PolarHBondContact O-N 3Å; E351-I353 VanDerWaalsContact C-N 3.34Å; E351-I353 PolarHBondContact O-N 3.1Å; E351-R354 WeakPolarHBondContact O-CB 3.37Å; E351-R354 PolarHBondContact O-N 3.41Å; E351-R354 VanDerWaalsContact O-N 3.15Å; E351-R354 IonicContact OE1-CZ 3.76Å; E351-R354 IonicContact OE1-NE 2.57Å; E351-R354 PolarHBondContact OE1-NE 2.94Å; E351-R354 IonicContact OE1-NH2 3.89Å; E351-R354 PolarHBondContact OE1-NH2 2.81Å; E351-R354 IonicContact OE2-CZ 2.76Å; E351-R354 VanDerWaalsContact OE2-CZ 3.22Å; E351-R354 IonicContact OE2-NE 3.88Å; E351-R354 PolarHBondContact OE2-NE 2.87Å; E351-R354 IonicContact OE2-NH2 3.71Å; E351-R354 PolarHBondContact OE2-NH2 2.94Å; E351-L355 HydrophobicContact CG-CD1 4.29Å; E351-L355 WeakPolarHBondContact O-CG 3.28Å; E351-L355 PolarHBondContact O-N 3.25Å; E351-L355 VanDerWaalsContact O-N 3.09Å; E351-F615 HydrophobicContact CB-CD2 4.4Å; E351-F615 HydrophobicContact CB-CE2 4.29Å; E351-F615 HydrophobicContact CG-CD2 4.08Å; E351-F615 HydrophobicContact CG-CE2 4.46Å
352	I	89.7	Confident	82.7	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-59.6	-45.8	175.5	-65.2	159.8	0	0	0	110.7	L257 L259 P311 L314 I315 L326 Q348 M349 R354 L355 C356	L257-I352 HydrophobicContact CD2-CG2 3.89Å; L259-I352 HydrophobicContact CD1-CB 4.48Å; L259-I352 HydrophobicContact CD1-CD1 4.48Å; L259-I352 HydrophobicContact CD1-CG2 3.77Å; L259-I352 HydrophobicContact CD2-CD1 4.35Å; L259-I352 HydrophobicContact CD2-CG2 4.37Å; P311-I352 HydrophobicContact CB-CD1 3.68Å; P311-I352 HydrophobicContact CG-CD1 4.44Å; L314-I352 HydrophobicContact CB-CD1 4.48Å; L314-I352 HydrophobicContact CD2-CD1 4.07Å; L314-I352 HydrophobicContact CD2-CG1 4.12Å; L314-I352 HydrophobicContact CD2-CG2 3.74Å; I315-I352 HydrophobicContact CD1-CD1 4.05Å; I315-I352 HydrophobicContact CD1-CG1 4.03Å; I315-I352 HydrophobicContact CG1-CD1 3.98Å; I315-I352 HydrophobicContact CG1-CG1 3.76Å; L326-I352 HydrophobicContact CD1-CG2 3.79Å; Q348-I352 WeakPolarHBondContact O-CD1 3.31Å; Q348-I352 VanDerWaalsContact O-CG1 3.27Å; Q348-I352 WeakPolarHBondContact O-CG1 3.2Å; Q348-I352 PolarHBondContact O-N 3.18Å; M349-I352 PolarHBondContact O-N 2.92Å; I352-R354 PolarHBondContact O-N 3.08Å; I352-L355 PolarHBondContact O-N 2.73Å; I352-L355 VanDerWaalsContact O-N 3.1Å; I352-C356 PolarHBondContact O-N 2.75Å; I352-C356 PolarHBondContact O-SG 3.06Å
353	I	87.7	Confident	84.1	Confident	17 Å²	17	60.2 Å²	60.2	9%	0.087	27%	0.269	C	S	.	.	H	α-helix	trans	-62.4	-30.3	179	-71	163.5	0	0	0	112.2	L332 M349 E351 R360 L376	L332-I353 HydrophobicContact CD2-CG1 4.17Å; M349-I353 HydrophobicContact CB-CD1 4.48Å; M349-I353 WeakPolarHBondContact O-CB 3.47Å; M349-I353 WeakPolarHBondContact O-CD1 3.21Å; M349-I353 WeakPolarHBondContact O-CG1 3.49Å; M349-I353 PolarHBondContact O-N 3.14Å; E351-I353 VanDerWaalsContact C-N 3.34Å; E351-I353 PolarHBondContact O-N 3.1Å; I353-R360 PolarHBondContact O-NH1 2.83Å; I353-L376 HydrophobicContact CD1-CD1 4.07Å
354	R	86.7	Confident	85.8	Confident	180 Å²	180	54.4 Å²	54.4	68%	0.679	24%	0.242	S	C	*	.	H	α-helix	trans	-73	-32.6	174.6	-176.1	175.2	77.9	138.3	3.5	112.9	K350 E351 I352	K350-R354 WeakPolarHBondContact O-CB 3.37Å; K350-R354 PolarHBondContact O-N 2.71Å; E351-R354 WeakPolarHBondContact O-CB 3.37Å; E351-R354 PolarHBondContact O-N 3.41Å; E351-R354 VanDerWaalsContact O-N 3.15Å; E351-R354 IonicContact OE1-CZ 3.76Å; E351-R354 IonicContact OE1-NE 2.57Å; E351-R354 PolarHBondContact OE1-NE 2.94Å; E351-R354 IonicContact OE1-NH2 3.89Å; E351-R354 PolarHBondContact OE1-NH2 2.81Å; E351-R354 IonicContact OE2-CZ 2.76Å; E351-R354 VanDerWaalsContact OE2-CZ 3.22Å; E351-R354 IonicContact OE2-NE 3.88Å; E351-R354 PolarHBondContact OE2-NE 2.87Å; E351-R354 IonicContact OE2-NH2 3.71Å; E351-R354 PolarHBondContact OE2-NH2 2.94Å; I352-R354 PolarHBondContact O-N 3.08Å
355	L	88.6	Confident	87	Confident	67 Å²	67	47.3 Å²	47.3	35%	0.351	21%	0.214	S	C	.	.	H	α-helix	trans	-83.9	-21.2	178.6	-64.8	170.5	0	0	0	113	L318 L326 E351 I352	L318-L355 HydrophobicContact CD1-CD1 4.01Å; L326-L355 HydrophobicContact CB-CB 4.47Å; L326-L355 WeakPolarHBondContact CB-O 3.1Å; L326-L355 HydrophobicContact CD1-CB 4.31Å; E351-L355 HydrophobicContact CG-CD1 4.29Å; E351-L355 WeakPolarHBondContact O-CG 3.28Å; E351-L355 PolarHBondContact O-N 3.25Å; E351-L355 VanDerWaalsContact O-N 3.09Å; I352-L355 PolarHBondContact O-N 2.73Å; I352-L355 VanDerWaalsContact O-N 3.1Å
356	C	89.7	Confident	87.7	Confident	9 Å²	9	44.4 Å²	44.4	6%	0.061	20%	0.201	C	C	.	.	S	Bend	trans	-69.4	147.4	171.4	-66.7	0	0	0	0	112.4	I329 I352 Y358	I329-C356 HydrophobicContact CD1-CB 4.38Å; I329-C356 VanDerWaalsContact CD1-SG 3.56Å; I352-C356 PolarHBondContact O-N 2.75Å; I352-C356 PolarHBondContact O-SG 3.06Å; C356-Y358 PolarHBondContact O-N 2.62Å
357	S	87.5	Confident	87.7	Confident	34 Å²	34	43.1 Å²	43.1	24%	0.238	20%	0.197	C	C	.	.			trans	-44.9	138.5	169.4	174.1	0	0	0	0	113	I329 N359 R360	I329-S357 WeakPolarHBondContact O-CB 3.48Å; S357-N359 VanDerWaalsContact C-N 3.33Å; S357-N359 PolarHBondContact OG-N 3.2Å; S357-N359 VanDerWaalsContact OG-N 3.13Å; S357-N359 PolarHBondContact OG-O 3.04Å; S357-N359 VanDerWaalsContact OG-O 3.08Å; S357-R360 VanDerWaalsContact O-CD 3.28Å; S357-R360 WeakPolarHBondContact O-CD 3.4Å; S357-R360 WeakPolarHBondContact O-CG 3.26Å; S357-R360 PolarHBondContact O-NH1 2.88Å
358	Y	83.2	Confident	87.4	Confident	192 Å²	192	41.6 Å²	41.6	75%	0.753	19%	0.191	S	C	*	.	S	Bend	trans	-72.9	-25.4	173.7	-174.7	-105.4	0	0	0	112.7	C356 K382	C356-Y358 PolarHBondContact O-N 2.62Å; Y358-K382 PolarHBondContact O-NZ 3.14Å
359	N	88	Confident	87	Confident	140 Å²	140	43.1 Å²	43.1	75%	0.749	20%	0.199	S	C	*	.	S	Bend	trans	-106.4	93.6	177.5	-164.7	33.4	0	0	0	109.7	S357	S357-N359 VanDerWaalsContact C-N 3.33Å; S357-N359 PolarHBondContact OG-N 3.2Å; S357-N359 VanDerWaalsContact OG-N 3.13Å; S357-N359 PolarHBondContact OG-O 3.04Å; S357-N359 VanDerWaalsContact OG-O 3.08Å
360	R	92.4	Very high	86.6	Confident	36 Å²	36	44.3 Å²	44.3	14%	0.136	21%	0.207	C	C	.	.	S	Bend	trans	-152.9	155.5	-175.6	62.9	174.9	-167.4	-103.3	-5.5	108.8	E330 I353 S357 T362 S380	E330-R360 CarbonylContact O-C 3.53Å; E330-R360 VanDerWaalsContact O-CA 3.27Å; E330-R360 WeakPolarHBondContact O-CA 3.36Å; E330-R360 WeakPolarHBondContact O-CB 3.41Å; I353-R360 PolarHBondContact O-NH1 2.83Å; S357-R360 VanDerWaalsContact O-CD 3.28Å; S357-R360 WeakPolarHBondContact O-CD 3.4Å; S357-R360 WeakPolarHBondContact O-CG 3.26Å; S357-R360 PolarHBondContact O-NH1 2.88Å; R360-T362 PolarHBondContact NE-OG1 3.49Å; R360-S380 PolarHBondContact NH2-O 3.36Å
361	Q	94.5	Very high	86.3	Confident	10 Å²	10	46.6 Å²	46.6	5%	0.047	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	138.8	160.7	-174.5	-178.3	24.7	0	0	108.7	G216 G219 R220 D221 E330 I331 L332 M363	G216-Q361 PolarHBondContact O-NE2 2.73Å; G219-Q361 VanDerWaalsContact C-NE2 3.25Å; G219-Q361 WeakPolarHBondContact O-CG 3.39Å; R220-Q361 PolarHBondContact O-NE2 3.21Å; D221-Q361 WeakPolarHBondContact OD1-CA 3.45Å; E330-Q361 PolarHBondContact O-N 2.39Å; I331-Q361 CarbonylContact C-O 3.54Å; I331-Q361 WeakPolarHBondContact CA-O 3.48Å; I331-Q361 HydrophobicContact CG2-CB 4.4Å; L332-Q361 PolarHBondContact N-O 3Å; Q361-M363 HydrophobicContact CG-CE 4.44Å
362	T	94.6	Very high	85.9	Confident	2 Å²	2	50.5 Å²	50.5	1%	0.012	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	130.1	173.7	-51.6	0	0	0	0	110.8	D221 L222 L332 L334 R360 L381	D221-T362 WeakPolarHBondContact CA-O 3.32Å; D221-T362 PolarHBondContact OD1-N 3.38Å; L222-T362 PolarHBondContact N-O 2.77Å; L332-T362 HydrophobicContact CB-CG2 4.17Å; L332-T362 HydrophobicContact CD2-CG2 4.05Å; L332-T362 HydrophobicContact CG-CG2 4.15Å; L332-T362 CarbonylContact O-C 3.6Å; L332-T362 VanDerWaalsContact O-CA 3.28Å; L332-T362 WeakPolarHBondContact O-CA 3.31Å; L334-T362 HydrophobicContact CD1-CG2 4.43Å; R360-T362 PolarHBondContact NE-OG1 3.49Å; T362-L381 HydrophobicContact CG2-CD2 3.57Å; T362-L381 VanDerWaalsContact O-CD2 3.3Å; T362-L381 WeakPolarHBondContact O-CD2 3.26Å
363	M	94.8	Very high	85.4	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	119.8	-178.8	-54	-174.4	177.9	0	0	110.1	L222 F236 P239 V240 I331 L332 I333 L334 Q361 F365	L222-M363 HydrophobicContact CD1-CB 3.96Å; L222-M363 HydrophobicContact CD1-CG 4.33Å; L222-M363 HydrophobicContact CD2-CB 4.42Å; L222-M363 HydrophobicContact CD2-CE 4.22Å; L222-M363 HydrophobicContact CD2-CG 3.88Å; L222-M363 HydrophobicContact CD2-SD 4.01Å; L222-M363 HydrophobicContact CG-CB 3.95Å; L222-M363 HydrophobicContact CG-CG 3.87Å; F236-M363 HydrophobicContact CB-SD 3.99Å; P239-M363 HydrophobicContact CG-CE 4.37Å; V240-M363 HydrophobicContact CG2-CE 4.25Å; I331-M363 HydrophobicContact CG2-CE 4.39Å; L332-M363 PolarHBondContact O-N 3.15Å; I333-M363 CarbonylContact C-O 3.59Å; I333-M363 WeakPolarHBondContact CA-O 3.35Å; I333-M363 HydrophobicContact CG1-CB 4.11Å; I333-M363 HydrophobicContact CG1-CG 4.36Å; I333-M363 HydrophobicContact CG1-SD 4.11Å; L334-M363 PolarHBondContact N-O 2.85Å; Q361-M363 HydrophobicContact CG-CE 4.44Å; M363-F365 HydrophobicContact CB-CD2 4.47Å; M363-F365 HydrophobicContact CB-CE2 3.91Å
364	L	92.7	Very high	85.1	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	123.6	179	-170.7	160.9	0	0	0	110.3	L222 C223 A224 L334 A337 V373 L376 A377 L381	L222-L364 PolarHBondContact O-N 2.92Å; C223-L364 WeakPolarHBondContact CA-O 3.14Å; A224-L364 PolarHBondContact N-O 3.4Å; L334-L364 HydrophobicContact CB-CG 4.37Å; L334-L364 HydrophobicContact CD1-CD1 4.31Å; L334-L364 HydrophobicContact CD1-CG 4.47Å; A337-L364 HydrophobicContact CB-CD1 4.25Å; A337-L364 HydrophobicContact CB-CD2 3.65Å; A337-L364 HydrophobicContact CB-CG 3.79Å; L364-V373 HydrophobicContact CD2-CG1 4.13Å; L364-L376 HydrophobicContact CD1-CD2 4.26Å; L364-L376 HydrophobicContact CD1-CG 4.38Å; L364-A377 HydrophobicContact CD1-CB 4.08Å; L364-L381 HydrophobicContact CB-CD1 4.1Å; L364-L381 HydrophobicContact CB-CD2 4.31Å; L364-L381 HydrophobicContact CD1-CD1 4.4Å
365	F	90.1	Very high	84.8	Confident	1 Å²	1	52.1 Å²	52.1	0%	0.004	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	130	175.6	-71.1	-94.7	0	0	0	110.8	C212 L222 A224 K232 F236 I333 L334 D335 E336 A337 M363	C212-F365 HydrophobicContact CB-CZ 4.49Å; L222-F365 HydrophobicContact CD1-CE1 4.44Å; L222-F365 HydrophobicContact CD1-CE2 3.79Å; L222-F365 HydrophobicContact CD1-CZ 3.69Å; A224-F365 HydrophobicContact CB-CD1 3.53Å; A224-F365 HydrophobicContact CB-CE1 3.49Å; A224-F365 VanDerWaalsContact CB-CE1 3.49Å; A224-F365 HydrophobicContact CB-CG 4.22Å; A224-F365 HydrophobicContact CB-CZ 4.14Å; A224-F365 WeakPolarHBondContact O-CA 3.43Å; K232-F365 HydrophobicContact CB-CD1 4.27Å; K232-F365 HydrophobicContact CD-CB 4.41Å; K232-F365 HydrophobicContact CD-CD1 4.28Å; K232-F365 HydrophobicContact CG-CD1 4.34Å; F236-F365 HydrophobicContact CB-CD2 4.46Å; F236-F365 HydrophobicContact CB-CE2 3.57Å; F236-F365 HydrophobicContact CB-CZ 3.81Å; F236-F365 AromaticContact CD1-CD2 3.77Å; F236-F365 HydrophobicContact CD1-CD2 3.77Å; F236-F365 HydrophobicContact CD1-CE1 4.49Å; F236-F365 AromaticContact CD1-CE2 3.66Å; F236-F365 HydrophobicContact CD1-CE2 3.66Å; F236-F365 HydrophobicContact CD1-CG 4.26Å; F236-F365 HydrophobicContact CD1-CZ 4.05Å; F236-F365 HydrophobicContact CE1-CD2 4.48Å; F236-F365 HydrophobicContact CG-CE2 4.06Å; F236-F365 HydrophobicContact CG-CZ 4.46Å; I333-F365 HydrophobicContact CG2-CD2 4.45Å; L334-F365 PolarHBondContact O-N 3.42Å; D335-F365 WeakPolarHBondContact OD1-CB 3.5Å; E336-F365 PolarHBondContact N-O 3.37Å; A337-F365 PolarHBondContact N-O 2.97Å; M363-F365 HydrophobicContact CB-CD2 4.47Å; M363-F365 HydrophobicContact CB-CE2 3.91Å
366	S	85.4	Confident	84.4	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	152.3	178.7	-167.7	0	0	0	0	112.2	A224 C225 A226 D338 T368	A224-S366 PolarHBondContact O-N 3.5Å; C225-S366 WeakPolarHBondContact CA-O 3.16Å; A226-S366 PolarHBondContact N-O 3.45Å; A226-S366 VanDerWaalsContact N-O 3.09Å; D338-S366 VanDerWaalsContact CB-OG 3.31Å; D338-S366 WeakPolarHBondContact CB-OG 3.49Å; D338-S366 VanDerWaalsContact CG-OG 3.27Å; S366-T368 PolarHBondContact OG-N 3.28Å; S366-T368 PolarHBondContact OG-O 3Å
367	A	78.4	Confident	84.1	Confident	11 Å²	11	49.6 Å²	49.6	9%	0.091	24%	0.242	C	C	.	.	S	Bend	trans	-77.4	-33	166.5	0	0	0	0	0	111.2
368	T	72.9	Confident	83.9	Confident	16 Å²	16	51.9 Å²	51.9	10%	0.098	26%	0.263	C	S	.	.			trans	-139.5	148.4	-178.7	73.2	0	0	0	0	113.5	D338 S366 K509	D338-T368 WeakPolarHBondContact OD2-CB 3.35Å; D338-T368 PolarHBondContact OD2-N 3.44Å; D338-T368 PolarHBondContact OD2-OG1 3.37Å; S366-T368 PolarHBondContact OG-N 3.28Å; S366-T368 PolarHBondContact OG-O 3Å; T368-K509 HydrophobicContact CG2-CD 4.02Å; T368-K509 HydrophobicContact CG2-CG 4.39Å; T368-K509 PolarHBondContact OG1-NZ 2.84Å
369	M	76	Confident	83.7	Confident	52 Å²	52	47.5 Å²	47.5	26%	0.256	26%	0.256	S	S	.	.			trans	-90.2	105.5	166.1	-78	-68.3	-154.4	0	0	109.6	C223 V373 K374 F388	C223-M369 WeakPolarHBondContact SG-CE 2.98Å; M369-V373 HydrophobicContact SD-CB 4.37Å; M369-V373 HydrophobicContact SD-CG1 3.71Å; M369-K374 HydrophobicContact SD-CG 4.15Å; M369-F388 HydrophobicContact CE-CE1 4.12Å; M369-F388 HydrophobicContact CE-CZ 3.97Å; M369-F388 HydrophobicContact CG-CE1 3.98Å
370	S	76.1	Confident	83.4	Confident	24 Å²	24	41.1 Å²	41.1	17%	0.168	22%	0.222	C	C	.	.			trans	-89.2	-179.6	159.6	70.8	0	0	0	0	110.6	E372 V373 K374	S370-E372 WeakPolarHBondContact CB-OE2 3.33Å; S370-E372 PolarHBondContact OG-N 2.82Å; S370-E372 PolarHBondContact OG-OE2 3.37Å; S370-V373 WeakPolarHBondContact OG-CG2 3.19Å; S370-V373 PolarHBondContact OG-N 2.96Å; S370-V373 VanDerWaalsContact OG-N 3.14Å; S370-K374 WeakPolarHBondContact O-CG 3.41Å; S370-K374 PolarHBondContact O-N 3.48Å
371	E	77.8	Confident	83.1	Confident	156 Å²	156	40.1 Å²	40.1	73%	0.729	22%	0.219	S	C	*	.	H	α-helix	trans	-67.2	-41.8	168.4	-66.8	179	172.4	0	0	109.7	V373 K374 D375	E371-V373 VanDerWaalsContact C-N 3.32Å; E371-V373 PolarHBondContact O-N 3.4Å; E371-K374 WeakPolarHBondContact O-CB 3.28Å; E371-K374 PolarHBondContact O-N 2.98Å; E371-D375 PolarHBondContact O-N 3.19Å
372	E	77.2	Confident	82.7	Confident	113 Å²	113	44 Å²	44	53%	0.528	24%	0.236	S	C	.	.	H	α-helix	trans	-61.3	-37.5	178.2	-49	99.1	166.7	0	0	112.8	L341 S370 K374 D375 L376	L341-E372 HydrophobicContact CB-CB 4.38Å; L341-E372 HydrophobicContact CD1-CB 4Å; L341-E372 WeakPolarHBondContact CD1-O 3.33Å; S370-E372 WeakPolarHBondContact CB-OE2 3.33Å; S370-E372 PolarHBondContact OG-N 2.82Å; S370-E372 PolarHBondContact OG-OE2 3.37Å; E372-K374 VanDerWaalsContact C-N 3.29Å; E372-K374 PolarHBondContact O-N 3.04Å; E372-D375 PolarHBondContact O-N 2.74Å; E372-L376 PolarHBondContact O-N 3.1Å
373	V	79.8	Confident	82.3	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-65.3	-34.2	177	175.9	0	0	0	0	111.4	D338 L341 L364 M369 S370 E371 A377	D338-V373 HydrophobicContact CB-CG2 3.7Å; L341-V373 HydrophobicContact CD1-CB 4.34Å; L341-V373 HydrophobicContact CD1-CG2 3.84Å; L364-V373 HydrophobicContact CD2-CG1 4.13Å; M369-V373 HydrophobicContact SD-CB 4.37Å; M369-V373 HydrophobicContact SD-CG1 3.71Å; S370-V373 WeakPolarHBondContact OG-CG2 3.19Å; S370-V373 PolarHBondContact OG-N 2.96Å; S370-V373 VanDerWaalsContact OG-N 3.14Å; E371-V373 VanDerWaalsContact C-N 3.32Å; E371-V373 PolarHBondContact O-N 3.4Å; V373-A377 WeakPolarHBondContact O-CB 3.38Å; V373-A377 PolarHBondContact O-N 3.03Å
374	K	81	Confident	82.1	Confident	122 Å²	122	50.9 Å²	50.9	53%	0.53	27%	0.27	S	S	.	.	H	α-helix	trans	-70.5	-38.3	174.5	-67.3	175.1	180	-177.2	0	111.4	M369 S370 E371 E372 A377 A378	M369-K374 HydrophobicContact SD-CG 4.15Å; S370-K374 WeakPolarHBondContact O-CG 3.41Å; S370-K374 PolarHBondContact O-N 3.48Å; E371-K374 WeakPolarHBondContact O-CB 3.28Å; E371-K374 PolarHBondContact O-N 2.98Å; E372-K374 VanDerWaalsContact C-N 3.29Å; E372-K374 PolarHBondContact O-N 3.04Å; K374-A377 WeakPolarHBondContact O-CB 3.21Å; K374-A377 PolarHBondContact O-N 3.02Å; K374-A378 WeakPolarHBondContact O-CB 3.41Å; K374-A378 PolarHBondContact O-N 3.36Å
375	D	80.9	Confident	81.9	Confident	109 Å²	109	51.5 Å²	51.5	58%	0.583	27%	0.273	S	S	*	.	H	α-helix	trans	-67	-43.2	176	-66.1	-19.6	0	0	0	111.2	E371 E372 A378 V379	E371-D375 PolarHBondContact O-N 3.19Å; E372-D375 PolarHBondContact O-N 2.74Å; D375-A378 PolarHBondContact O-N 3.04Å; D375-V379 WeakPolarHBondContact O-CG2 3.19Å; D375-V379 PolarHBondContact O-N 3.15Å
376	L	79.9	Confident	81.8	Confident	11 Å²	11	57.2 Å²	57.2	6%	0.058	29%	0.294	C	S	.	.	H	α-helix	trans	-61.5	-44	172.2	-179.8	67.4	0	0	0	111.5	L334 A337 L341 I353 L364 E372 A378 V379 S380	L334-L376 HydrophobicContact CD1-CD2 4.48Å; A337-L376 HydrophobicContact CB-CD2 4.26Å; L341-L376 HydrophobicContact CD1-CB 3.78Å; L341-L376 HydrophobicContact CD1-CD2 3.78Å; L341-L376 HydrophobicContact CD1-CG 4.39Å; L341-L376 HydrophobicContact CD2-CB 4.05Å; L341-L376 HydrophobicContact CD2-CD1 4.33Å; L341-L376 HydrophobicContact CD2-CD2 3.99Å; L341-L376 HydrophobicContact CD2-CG 4.33Å; L341-L376 HydrophobicContact CG-CB 4.43Å; L341-L376 HydrophobicContact CG-CD2 3.94Å; I353-L376 HydrophobicContact CD1-CD1 4.07Å; L364-L376 HydrophobicContact CD1-CD2 4.26Å; L364-L376 HydrophobicContact CD1-CG 4.38Å; E372-L376 PolarHBondContact O-N 3.1Å; L376-A378 VanDerWaalsContact C-N 3.32Å; L376-A378 PolarHBondContact O-N 2.74Å; L376-V379 PolarHBondContact O-N 3.5Å; L376-S380 WeakPolarHBondContact CD1-OG 3.37Å; L376-S380 WeakPolarHBondContact O-CB 3.24Å; L376-S380 PolarHBondContact O-N 3.3Å; L376-S380 PolarHBondContact O-OG 3.42Å
377	A	83.5	Confident	81.9	Confident	12 Å²	12	57.2 Å²	57.2	10%	0.099	30%	0.295	C	S	.	.	H	α-helix	trans	-58.5	-43.8	175.9	0	0	0	0	0	111.4	L364 V373 K374 V379 S380 L381	L364-A377 HydrophobicContact CD1-CB 4.08Å; V373-A377 WeakPolarHBondContact O-CB 3.38Å; V373-A377 PolarHBondContact O-N 3.03Å; K374-A377 WeakPolarHBondContact O-CB 3.21Å; K374-A377 PolarHBondContact O-N 3.02Å; A377-V379 VanDerWaalsContact C-N 3.33Å; A377-V379 PolarHBondContact O-N 2.91Å; A377-S380 PolarHBondContact O-N 3.41Å; A377-L381 HydrophobicContact CB-CD1 3.82Å; A377-L381 VanDerWaalsContact O-CB 3.24Å; A377-L381 WeakPolarHBondContact O-CB 3.37Å; A377-L381 WeakPolarHBondContact O-CG 3.38Å; A377-L381 PolarHBondContact O-N 3.42Å
378	A	82.8	Confident	82.1	Confident	82 Å²	82	61 Å²	61	68%	0.678	31%	0.309	S	S	*	.	H	α-helix	trans	-68.1	-27.3	178.2	0	0	0	0	0	113.9	K374 D375 L376	K374-A378 WeakPolarHBondContact O-CB 3.41Å; K374-A378 PolarHBondContact O-N 3.36Å; D375-A378 PolarHBondContact O-N 3.04Å; L376-A378 VanDerWaalsContact C-N 3.32Å; L376-A378 PolarHBondContact O-N 2.74Å
379	V	79.6	Confident	82	Confident	100 Å²	100	60.9 Å²	60.9	61%	0.606	31%	0.308	S	S	*	.	H	α-helix	trans	-84.4	-29.7	174.8	172.2	0	0	0	0	112.4	D375 L376 A377	D375-V379 WeakPolarHBondContact O-CG2 3.19Å; D375-V379 PolarHBondContact O-N 3.15Å; L376-V379 PolarHBondContact O-N 3.5Å; A377-V379 VanDerWaalsContact C-N 3.33Å; A377-V379 PolarHBondContact O-N 2.91Å
380	S	81.6	Confident	81.1	Confident	6 Å²	6	63.8 Å²	63.8	4%	0.042	33%	0.325	C	S	.	.	H	α-helix	trans	-100.9	-25.7	-168.6	-48.7	0	0	0	0	114.8	R360 L376 A377	R360-S380 PolarHBondContact NH2-O 3.36Å; L376-S380 WeakPolarHBondContact CD1-OG 3.37Å; L376-S380 WeakPolarHBondContact O-CB 3.24Å; L376-S380 PolarHBondContact O-N 3.3Å; L376-S380 PolarHBondContact O-OG 3.42Å; A377-S380 PolarHBondContact O-N 3.41Å
381	L	85.8	Confident	79.8	Confident	14 Å²	14	66.8 Å²	66.8	7%	0.073	35%	0.346	C	S	.	.			trans	-116.2	147.3	-169.2	-52.5	170.4	0	0	0	112	D221 C223 T362 L364 A377 P384	D221-L381 HydrophobicContact CB-CB 4.43Å; D221-L381 HydrophobicContact CB-CD2 4.36Å; D221-L381 VanDerWaalsContact OD2-CA 3.26Å; D221-L381 WeakPolarHBondContact OD2-CA 3.39Å; C223-L381 HydrophobicContact CB-CD1 3.85Å; T362-L381 HydrophobicContact CG2-CD2 3.57Å; T362-L381 VanDerWaalsContact O-CD2 3.3Å; T362-L381 WeakPolarHBondContact O-CD2 3.26Å; L364-L381 HydrophobicContact CB-CD1 4.1Å; L364-L381 HydrophobicContact CB-CD2 4.31Å; L364-L381 HydrophobicContact CD1-CD1 4.4Å; A377-L381 HydrophobicContact CB-CD1 3.82Å; A377-L381 VanDerWaalsContact O-CB 3.24Å; A377-L381 WeakPolarHBondContact O-CB 3.37Å; A377-L381 WeakPolarHBondContact O-CG 3.38Å; A377-L381 PolarHBondContact O-N 3.42Å; L381-P384 HydrophobicContact CB-CB 3.91Å; L381-P384 HydrophobicContact CB-CG 3.72Å; L381-P384 HydrophobicContact CD1-CB 3.74Å; L381-P384 HydrophobicContact CD1-CG 3.75Å; L381-P384 HydrophobicContact CG-CB 4.34Å; L381-P384 HydrophobicContact CG-CG 4.36Å
382	K	86	Confident	78.4	Confident	92 Å²	92	61.8 Å²	61.8	40%	0.4	32%	0.324	S	S	.	.	S	Bend	trans	-110.2	110.9	174.7	-69.2	171.8	175.8	173.5	0	110.3	D221 Y358	D221-K382 PolarHBondContact OD2-N 3.44Å; Y358-K382 PolarHBondContact O-NZ 3.14Å
383	Q	86.1	Confident	77.2	Confident	128 Å²	128	60.2 Å²	60.2	60%	0.598	32%	0.322	S	S	*	.	S	Bend	trans	45.6	50.3	-179.3	-62.6	178.1	-12.3	0	0	113.7	F171	F171-Q383 HydrophobicContact CB-CG 4.39Å; F171-Q383 HydrophobicContact CD1-CG 3.99Å; F171-Q383 VanDerWaalsContact CD1-NE2 3.35Å; F171-Q383 HydrophobicContact CG-CG 4.2Å
384	P	89.7	Confident	76.2	Confident	19 Å²	19	62.5 Å²	62.5	12%	0.123	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-64.2	141.2	-172.6	27.9	-36.5	0	0	0	112.3	S172 D221 C223 L381	S172-P384 PolarHBondContact OG-O 2.65Å; D221-P384 HydrophobicContact CB-CB 4.13Å; D221-P384 VanDerWaalsContact O-CA 3.31Å; D221-P384 WeakPolarHBondContact O-CA 3.44Å; C223-P384 HydrophobicContact CB-CB 4.27Å; L381-P384 HydrophobicContact CB-CB 3.91Å; L381-P384 HydrophobicContact CB-CG 3.72Å; L381-P384 HydrophobicContact CD1-CB 3.74Å; L381-P384 HydrophobicContact CD1-CG 3.75Å; L381-P384 HydrophobicContact CG-CB 4.34Å; L381-P384 HydrophobicContact CG-CG 4.36Å
385	I	90	Very high	75.4	Confident	13 Å²	13	57.8 Å²	57.8	7%	0.067	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	132.1	162	-70.7	171.8	0	0	0	108	A175 V215 R220 D221 L222 C223 I387	A175-I385 HydrophobicContact CB-CG2 3.45Å; A175-I385 VanDerWaalsContact CB-CG2 3.45Å; V215-I385 HydrophobicContact CG1-CB 4.15Å; V215-I385 HydrophobicContact CG1-CD1 3.78Å; V215-I385 HydrophobicContact CG1-CG2 4.28Å; V215-I385 HydrophobicContact CG2-CD1 4.36Å; V215-I385 HydrophobicContact CG2-CG2 4.5Å; R220-I385 HydrophobicContact CB-CD1 4.28Å; R220-I385 VanDerWaalsContact CD-CD1 3.43Å; D221-I385 PolarHBondContact O-N 3.41Å; L222-I385 WeakPolarHBondContact CA-O 3.25Å; C223-I385 PolarHBondContact N-O 3.19Å; I385-I387 HydrophobicContact CG2-CD1 4.42Å; I385-I387 HydrophobicContact CG2-CG1 4.08Å
386	R	88	Confident	74.8	Confident	121 Å²	121	54.1 Å²	54.1	46%	0.457	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	134.4	177.7	-65.8	179.7	177.4	161.8	3.4	109.6	A175 C223 F388	A175-R386 PolarHBondContact N-O 2.97Å; C223-R386 HydrophobicContact CB-CG 4.46Å; R386-F388 HydrophobicContact CB-CD2 4.36Å; R386-F388 HydrophobicContact CB-CE2 3.79Å
387	I	86.2	Confident	74.2	Confident	1 Å²	1	58 Å²	58	1%	0.005	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	110.1	-175.8	-66	174	0	0	0	108.2	I208 A211 C212 V215 C223 A224 C225 I385 V389	I208-I387 HydrophobicContact CD1-CG2 3.87Å; A211-I387 HydrophobicContact CB-CG2 3.66Å; C212-I387 HydrophobicContact CB-CD1 4.44Å; V215-I387 HydrophobicContact CB-CD1 4.4Å; V215-I387 HydrophobicContact CG2-CD1 4.29Å; C223-I387 PolarHBondContact O-N 2.94Å; A224-I387 WeakPolarHBondContact CA-O 3.45Å; A224-I387 HydrophobicContact CB-CB 4.45Å; C225-I387 PolarHBondContact N-O 2.7Å; I385-I387 HydrophobicContact CG2-CD1 4.42Å; I385-I387 HydrophobicContact CG2-CG1 4.08Å; I387-V389 HydrophobicContact CG2-CG2 3.76Å
388	F	82.2	Confident	73.9	Confident	91 Å²	91	63.3 Å²	63.3	40%	0.399	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	81.5	-177.5	-69.3	-73.4	0	0	0	111.2	C225 M369 R386 N390	C225-F388 HydrophobicContact CB-CD1 3.7Å; C225-F388 HydrophobicContact CB-CE1 4.02Å; M369-F388 HydrophobicContact CE-CE1 4.12Å; M369-F388 HydrophobicContact CE-CZ 3.97Å; M369-F388 HydrophobicContact CG-CE1 3.98Å; R386-F388 HydrophobicContact CB-CD2 4.36Å; R386-F388 HydrophobicContact CB-CE2 3.79Å; F388-N390 PolarHBondContact O-N 2.86Å
389	V	71.9	Confident	74	Confident	12 Å²	12	59.5 Å²	59.5	7%	0.073	32%	0.316	C	S	.	.			trans	-85.2	86.6	-177.9	177	0	0	0	0	110	Y178 P207 I208 A211 C225 I387 N392	Y178-V389 HydrophobicContact CE1-CG2 4.37Å; P207-V389 HydrophobicContact CB-CG1 3.58Å; I208-V389 HydrophobicContact CB-CB 4.42Å; I208-V389 HydrophobicContact CB-CG1 4.34Å; I208-V389 HydrophobicContact CB-CG2 4.43Å; I208-V389 HydrophobicContact CD1-CB 4Å; I208-V389 HydrophobicContact CD1-CG2 3.7Å; A211-V389 HydrophobicContact CB-CG2 4.04Å; C225-V389 PolarHBondContact O-N 3.3Å; I387-V389 HydrophobicContact CG2-CG2 3.76Å; V389-N392 PolarHBondContact O-ND2 3.35Å; V389-N392 VanDerWaalsContact O-ND2 3.08Å
390	N	57.5	Low	74.5	Confident	114 Å²	114	63.3 Å²	63.3	61%	0.61	32%	0.319	S	S	*	.	S	Bend	trans	61.5	137.4	-176.2	-65.4	-39.9	0	0	0	114.5	F388 N392	F388-N390 PolarHBondContact O-N 2.86Å; N390-N392 VanDerWaalsContact C-N 3.3Å; N390-N392 PolarHBondContact O-N 3.44Å; N390-N392 PolarHBondContact O-ND2 3.21Å
391	S	47.6	Very low	74.9	Confident	86 Å²	86	63.3 Å²	63.3	60%	0.601	32%	0.319	S	S	*	.			trans	-71.2	81.6	-179.5	54.9	0	0	0	0	111.4	T393 D394	S391-T393 PolarHBondContact O-N 2.91Å; S391-T393 PolarHBondContact O-OG1 3.03Å; S391-D394 PolarHBondContact O-N 2.92Å
392	N	48.8	Very low	75.2	Confident	52 Å²	52	63.7 Å²	63.7	28%	0.278	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	33.8	-174.8	-80.9	-77.4	0	0	0	114.7	A227 V389 N390	A227-N392 HydrophobicContact CB-CB 3.91Å; A227-N392 WeakPolarHBondContact CB-OD1 3.43Å; V389-N392 PolarHBondContact O-ND2 3.35Å; V389-N392 VanDerWaalsContact O-ND2 3.08Å; N390-N392 VanDerWaalsContact C-N 3.3Å; N390-N392 PolarHBondContact O-N 3.44Å; N390-N392 PolarHBondContact O-ND2 3.21Å
393	T	52.3	Low	75.5	Confident	80 Å²	80	61.3 Å²	61.3	49%	0.491	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-17.2	151.5	43.7	0	0	0	0	112.2	S391 V512	S391-T393 PolarHBondContact O-N 2.91Å; S391-T393 PolarHBondContact O-OG1 3.03Å; T393-V512 VanDerWaalsContact O-CG2 3.29Å; T393-V512 WeakPolarHBondContact O-CG2 3.44Å
394	D	59.3	Low	75.8	Confident	47 Å²	47	55.7 Å²	55.7	25%	0.251	28%	0.284	S	S	.	.	S	Bend	trans	-83.3	144.7	-173.8	-62.9	-3.6	0	0	0	111.8	S391 K547	S391-D394 PolarHBondContact O-N 2.92Å; D394-K547 WeakPolarHBondContact OD2-CE 3.19Å; D394-K547 IonicContact OD2-NZ 3.2Å; D394-K547 PolarHBondContact OD2-NZ 2.65Å
395	V	64.2	Low	75.8	Confident	24 Å²	24	62 Å²	62	15%	0.145	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-75.6	142.1	177.5	-176.8	0	0	0	0	110.1	L399 Q401 V512 V515	V395-L399 HydrophobicContact CG1-CB 4.14Å; V395-L399 HydrophobicContact CG1-CD2 3.39Å; V395-L399 HydrophobicContact CG1-CG 4.02Å; V395-Q401 HydrophobicContact CG1-CG 4.29Å; V395-V512 HydrophobicContact CG2-CG2 4.31Å; V395-V515 HydrophobicContact CG1-CG2 4.02Å
396	A	67.9	Low	75.7	Confident	31 Å²	31	62 Å²	62	26%	0.256	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-51	136.4	-178.4	0	0	0	0	0	112.7	F398 L399 A519	A396-F398 VanDerWaalsContact C-N 3.31Å; A396-F398 PolarHBondContact O-N 2.96Å; A396-L399 HydrophobicContact CB-CB 4.31Å; A396-L399 VanDerWaalsContact O-CB 3.28Å; A396-L399 WeakPolarHBondContact O-CB 3.38Å; A396-L399 PolarHBondContact O-N 3.1Å; A396-L399 VanDerWaalsContact O-N 3.09Å; A396-A519 HydrophobicContact CB-CB 3.98Å
397	P	67.3	Low	75.5	Confident	93 Å²	93	63.7 Å²	63.7	60%	0.604	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-29.9	-164.8	23.6	-34.3	0	0	0	114.3	N548	P397-N548 PolarHBondContact O-ND2 2.59Å
398	F	77.9	Confident	74.7	Confident	123 Å²	123	66.3 Å²	66.3	54%	0.539	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	12.1	179.9	-55.7	-64.3	0	0	0	114.1	A396 G522 G525	A396-F398 VanDerWaalsContact C-N 3.31Å; A396-F398 PolarHBondContact O-N 2.96Å; F398-G522 VanDerWaalsContact CD2-O 3.26Å; F398-G522 WeakPolarHBondContact CD2-O 3.29Å; F398-G525 PolarHBondContact O-N 2.56Å
399	L	85	Confident	74.4	Confident	2 Å²	2	71.1 Å²	71.1	1%	0.01	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	115.4	178.5	177.6	49	0	0	0	111.4	V395 A396 Q401 V515 T518 A519 G525	V395-L399 HydrophobicContact CG1-CB 4.14Å; V395-L399 HydrophobicContact CG1-CD2 3.39Å; V395-L399 HydrophobicContact CG1-CG 4.02Å; A396-L399 HydrophobicContact CB-CB 4.31Å; A396-L399 VanDerWaalsContact O-CB 3.28Å; A396-L399 WeakPolarHBondContact O-CB 3.38Å; A396-L399 PolarHBondContact O-N 3.1Å; A396-L399 VanDerWaalsContact O-N 3.09Å; L399-Q401 HydrophobicContact CG-CG 4.09Å; L399-Q401 PolarHBondContact O-N 3.01Å; L399-V515 HydrophobicContact CD2-CB 3.66Å; L399-V515 HydrophobicContact CD2-CG2 3.63Å; L399-T518 HydrophobicContact CD1-CG2 3.7Å; L399-A519 HydrophobicContact CB-CB 3.96Å; L399-G525 VanDerWaalsContact CD1-C 3.49Å; L399-G525 WeakPolarHBondContact CD1-O 3.44Å
400	R	88.4	Confident	74.7	Confident	180 Å²	180	75 Å²	75	68%	0.679	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.3	109	171.8	-64.5	-178.7	179.8	-178	1.4	109.2	G525 R526 S527	R400-G525 PolarHBondContact N-O 3.28Å; R400-R526 HydrophobicContact CB-CG 4.37Å; R400-R526 WeakPolarHBondContact O-CA 3.42Å; R400-S527 PolarHBondContact O-N 3.37Å
401	Q	90.1	Very high	75.5	Confident	7 Å²	7	73.9 Å²	73.9	3%	0.033	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	124.6	-179.1	-58.3	178.1	84.4	0	0	110.5	V395 L399 Y511 V550 K551	V395-Q401 HydrophobicContact CG1-CG 4.29Å; L399-Q401 HydrophobicContact CG-CG 4.09Å; L399-Q401 PolarHBondContact O-N 3.01Å; Q401-Y511 PolarHBondContact OE1-OH 3.32Å; Q401-V550 HydrophobicContact CB-CB 4.42Å; Q401-V550 HydrophobicContact CB-CG1 3.9Å; Q401-V550 HydrophobicContact CB-CG2 4.25Å; Q401-V550 WeakPolarHBondContact O-CA 3.2Å; Q401-K551 PolarHBondContact O-N 3Å
402	E	92.6	Very high	77.1	Confident	21 Å²	21	72.9 Å²	72.9	10%	0.098	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	145.7	179.9	-63	172	-144.3	0	0	110.1	R526 S527 V528 S529 K551 R553	E402-R526 IonicContact OE1-CZ 2.66Å; E402-R526 IonicContact OE1-NE 2.75Å; E402-R526 PolarHBondContact OE1-NE 3.25Å; E402-R526 VanDerWaalsContact OE1-NE 3.11Å; E402-R526 IonicContact OE1-NH2 2.73Å; E402-R526 PolarHBondContact OE1-NH2 3.03Å; E402-R526 IonicContact OE2-NH2 3.01Å; E402-S527 PolarHBondContact N-O 2.91Å; E402-V528 HydrophobicContact CB-CG2 4.28Å; E402-V528 CarbonylContact O-C 3.58Å; E402-V528 WeakPolarHBondContact O-CA 3.4Å; E402-S529 PolarHBondContact O-N 3.15Å; E402-K551 CarbonylContact C-O 3.29Å; E402-K551 VanDerWaalsContact CA-O 3.25Å; E402-K551 WeakPolarHBondContact CA-O 3.35Å; E402-R553 IonicContact OE1-NH2 3.52Å; E402-R553 IonicContact OE2-CZ 2.74Å; E402-R553 IonicContact OE2-NE 2.97Å; E402-R553 PolarHBondContact OE2-NE 3.22Å; E402-R553 IonicContact OE2-NH2 2.65Å; E402-R553 PolarHBondContact OE2-NH2 3.39Å
403	F	92.7	Very high	78.8	Confident	43 Å²	43	71.7 Å²	71.7	19%	0.189	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	143.6	171	74.5	-87.5	0	0	0	112	R405 S529 V531 L539 V550 K551 A552 R553	F403-R405 HydrophobicContact CE2-CB 4.47Å; F403-S529 CarbonylContact C-O 3.59Å; F403-S529 VanDerWaalsContact CA-O 3.27Å; F403-S529 WeakPolarHBondContact CA-O 3.39Å; F403-V531 HydrophobicContact CB-CG2 4.27Å; F403-L539 HydrophobicContact CB-CD1 4.33Å; F403-L539 HydrophobicContact CD1-CD1 4.47Å; F403-L539 HydrophobicContact CD2-CD2 3.95Å; F403-L539 HydrophobicContact CE2-CD2 4.12Å; F403-L539 HydrophobicContact CG-CD1 4.31Å; F403-L539 HydrophobicContact CG-CD2 4.23Å; F403-V550 HydrophobicContact CD1-CG1 3.91Å; F403-K551 WeakPolarHBondContact CD1-O 3.28Å; F403-K551 PolarHBondContact N-O 3.37Å; F403-A552 HydrophobicContact CE1-CB 3.87Å; F403-A552 HydrophobicContact CE2-CB 4.15Å; F403-A552 HydrophobicContact CZ-CB 3.62Å; F403-R553 PolarHBondContact O-N 3.1Å
404	V	91.9	Very high	80.6	Confident	9 Å²	9	68.9 Å²	68.9	6%	0.055	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	118	172	178.7	0	0	0	0	107.7	V417 V528 S529 L530 V531 R553 L555	V404-V417 HydrophobicContact CG1-CG1 4.12Å; V404-V528 HydrophobicContact CG2-CG1 4.04Å; V404-S529 PolarHBondContact N-O 3.19Å; V404-L530 HydrophobicContact CB-CD2 3.77Å; V404-L530 HydrophobicContact CG1-CD2 3.9Å; V404-V531 PolarHBondContact O-N 2.96Å; V404-R553 HydrophobicContact CG2-CB 3.93Å; V404-R553 HydrophobicContact CG2-CG 4.11Å; V404-L555 HydrophobicContact CB-CD1 4.48Å; V404-L555 HydrophobicContact CG1-CD1 3.88Å; V404-L555 HydrophobicContact CG2-CD1 3.69Å
405	R	89.9	Confident	82.1	Confident	151 Å²	151	68 Å²	68	57%	0.57	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.7	122.9	177.6	179.4	178.3	174.9	-163.6	-5.2	110.1	F403	F403-R405 HydrophobicContact CE2-CB 4.47Å
406	I	87.9	Confident	83.4	Confident	13 Å²	13	66.9 Å²	66.9	7%	0.067	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-86.9	147.3	171.3	-64.8	152.6	0	0	0	108.8	R410 R414 L530 V531	I406-R410 VanDerWaalsContact CG2-O 3.24Å; I406-R410 WeakPolarHBondContact CG2-O 3.34Å; I406-R414 HydrophobicContact CD1-CG 3.47Å; I406-R414 VanDerWaalsContact CD1-CG 3.47Å; I406-L530 HydrophobicContact CD1-CB 3.89Å; I406-L530 HydrophobicContact CD1-CD2 3.86Å; I406-L530 HydrophobicContact CD1-CG 4.39Å; I406-L530 HydrophobicContact CG1-CD2 4.14Å; I406-V531 PolarHBondContact N-O 3.3Å
407	R	84.1	Confident	84.6	Confident	157 Å²	157	65.8 Å²	65.8	59%	0.592	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-82	149.2	176.5	-64.9	-172.8	-176.4	-164.7	1.6	110.2	R410	R407-R410 HydrophobicContact CB-CB 4.38Å; R407-R410 HydrophobicContact CB-CG 4.42Å; R407-R410 PolarHBondContact O-N 2.91Å; R407-R410 VanDerWaalsContact O-N 3.14Å
408	P	69.8	Low	85.8	Confident	56 Å²	56	61.3 Å²	61.3	36%	0.364	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	150.6	167.5	25.6	-34.5	0	0	0	110.5	R410	P408-R410 PolarHBondContact O-N 3.38Å
409	H	74.5	Confident	86.4	Confident	192 Å²	192	55.5 Å²	55.5	89%	0.889	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	2.4	-172.8	-42.5	-75.6	0	0	0	116.1
410	R	78.4	Confident	86.7	Confident	95 Å²	95	55.4 Å²	55.4	36%	0.358	26%	0.257	S	S	.	.			trans	-115.8	32.2	175.9	-62.1	-161.9	-176.6	-162.4	-1	113.7	I406 R407 P408 G412 D413	I406-R410 VanDerWaalsContact CG2-O 3.24Å; I406-R410 WeakPolarHBondContact CG2-O 3.34Å; R407-R410 HydrophobicContact CB-CB 4.38Å; R407-R410 HydrophobicContact CB-CG 4.42Å; R407-R410 PolarHBondContact O-N 2.91Å; R407-R410 VanDerWaalsContact O-N 3.14Å; P408-R410 PolarHBondContact O-N 3.38Å; R410-G412 PolarHBondContact O-N 3.09Å; R410-D413 WeakPolarHBondContact CD-OD2 3.33Å; R410-D413 WeakPolarHBondContact O-CB 3.17Å; R410-D413 PolarHBondContact O-N 3.43Å; R410-D413 VanDerWaalsContact O-N 3.13Å
411	E	75.8	Confident	86.9	Confident	90 Å²	90	46.9 Å²	46.9	42%	0.421	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-22	179.2	-63	-137.6	107.4	0	0	113.5	D413 R414	E411-D413 VanDerWaalsContact C-N 3.28Å; E411-D413 PolarHBondContact O-N 2.85Å; E411-R414 WeakPolarHBondContact O-CB 3.29Å; E411-R414 WeakPolarHBondContact O-CD 3.38Å; E411-R414 VanDerWaalsContact O-CG 3.22Å; E411-R414 WeakPolarHBondContact O-CG 3.48Å; E411-R414 PolarHBondContact O-N 2.9Å; E411-R414 IonicContact OE1-CZ 3.91Å; E411-R414 IonicContact OE1-NE 2.87Å; E411-R414 IonicContact OE1-NH2 3.07Å; E411-R414 PolarHBondContact OE1-NH2 3.34Å
412	G	79.2	Confident	87	Confident	65 Å²	65	46.6 Å²	46.6	67%	0.67	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-27.5	171.2	0	0	0	0	0	113.8	R410 R414 E415	R410-G412 PolarHBondContact O-N 3.09Å; G412-R414 PolarHBondContact O-N 3.04Å; G412-E415 PolarHBondContact O-N 3.08Å
413	D	85.1	Confident	86.8	Confident	26 Å²	26	47.2 Å²	47.2	14%	0.139	23%	0.229	C	C	.	.	H	α-helix	trans	-64.7	-8.3	179	-67	0.2	0	0	0	112.5	R410 E411 E415 A416 V417 V560	R410-D413 WeakPolarHBondContact CD-OD2 3.33Å; R410-D413 WeakPolarHBondContact O-CB 3.17Å; R410-D413 PolarHBondContact O-N 3.43Å; R410-D413 VanDerWaalsContact O-N 3.13Å; E411-D413 VanDerWaalsContact C-N 3.28Å; E411-D413 PolarHBondContact O-N 2.85Å; D413-E415 VanDerWaalsContact C-N 3.27Å; D413-E415 PolarHBondContact O-N 3.05Å; D413-A416 PolarHBondContact O-N 3.25Å; D413-V417 WeakPolarHBondContact O-CB 3.35Å; D413-V417 VanDerWaalsContact O-CG2 3.31Å; D413-V417 WeakPolarHBondContact O-CG2 3.39Å; D413-V417 PolarHBondContact O-N 2.83Å; D413-V560 HydrophobicContact CB-CG1 3.9Å
414	R	90.3	Very high	86.5	Confident	21 Å²	21	53 Å²	53	8%	0.079	25%	0.25	C	C	.	.	H	α-helix	trans	-52.4	-42.2	175.1	-75.4	174.4	-169.2	-106.7	4.4	112.4	I406 E411 G412 V418 F502 E535	I406-R414 HydrophobicContact CD1-CG 3.47Å; I406-R414 VanDerWaalsContact CD1-CG 3.47Å; E411-R414 WeakPolarHBondContact O-CB 3.29Å; E411-R414 WeakPolarHBondContact O-CD 3.38Å; E411-R414 VanDerWaalsContact O-CG 3.22Å; E411-R414 WeakPolarHBondContact O-CG 3.48Å; E411-R414 PolarHBondContact O-N 2.9Å; E411-R414 IonicContact OE1-CZ 3.91Å; E411-R414 IonicContact OE1-NE 2.87Å; E411-R414 IonicContact OE1-NH2 3.07Å; E411-R414 PolarHBondContact OE1-NH2 3.34Å; G412-R414 PolarHBondContact O-N 3.04Å; R414-V418 PolarHBondContact O-N 3.09Å; R414-V418 VanDerWaalsContact O-N 3.07Å; R414-F502 HydrophobicContact CB-CD2 4.33Å; R414-F502 HydrophobicContact CB-CE1 4.37Å; R414-F502 HydrophobicContact CB-CE2 3.68Å; R414-F502 HydrophobicContact CB-CZ 3.7Å; R414-F502 PolarHBondContact NH1-O 3.27Å; R414-E535 IonicContact CZ-OE1 1.97Å; R414-E535 IonicContact CZ-OE2 2.61Å; R414-E535 IonicContact NH1-OE1 2.71Å; R414-E535 PolarHBondContact NH1-OE1 3.46Å; R414-E535 IonicContact NH1-OE2 2.74Å; R414-E535 PolarHBondContact NH1-OE2 3.02Å; R414-E535 VanDerWaalsContact NH1-OE2 3.1Å; R414-E535 VanDerWaalsContact NH2-CD 3.34Å; R414-E535 IonicContact NH2-OE1 2.58Å; R414-E535 IonicContact NH2-OE2 2.79Å; R414-E535 PolarHBondContact NH2-OE2 3.39Å
415	E	91.8	Very high	86.1	Confident	28 Å²	28	55.8 Å²	55.8	13%	0.131	27%	0.267	C	S	.	.	H	α-helix	trans	-69	-45	179	-64.6	-173.4	166.8	0	0	111.1	G412 D413 V417 V418 A419 R442 L446 F502 I567	G412-E415 PolarHBondContact O-N 3.08Å; D413-E415 VanDerWaalsContact C-N 3.27Å; D413-E415 PolarHBondContact O-N 3.05Å; E415-V417 PolarHBondContact O-N 2.91Å; E415-V418 PolarHBondContact O-N 3.41Å; E415-A419 WeakPolarHBondContact O-CB 3.42Å; E415-A419 PolarHBondContact O-N 3Å; E415-R442 VanDerWaalsContact CD-NE 3.35Å; E415-R442 WeakPolarHBondContact OE1-CD 3.27Å; E415-R442 IonicContact OE1-CZ 3.79Å; E415-R442 IonicContact OE1-NE 3.24Å; E415-R442 PolarHBondContact OE1-NE 2.91Å; E415-R442 IonicContact OE1-NH2 3.5Å; E415-R442 IonicContact OE2-CZ 3.67Å; E415-R442 IonicContact OE2-NE 2.98Å; E415-R442 PolarHBondContact OE2-NE 3.08Å; E415-R442 VanDerWaalsContact OE2-NE 3.09Å; E415-R442 IonicContact OE2-NH2 3.72Å; E415-R442 PolarHBondContact OE2-NH2 2.8Å; E415-L446 HydrophobicContact CB-CD2 4.04Å; E415-F502 HydrophobicContact CG-CE2 3.85Å; E415-F502 HydrophobicContact CG-CZ 3.9Å; E415-I567 HydrophobicContact CB-CD1 4.05Å
416	A	91.1	Very high	86	Confident	2 Å²	2	49 Å²	49	2%	0.017	24%	0.241	C	C	.	.	H	α-helix	trans	-61.6	-40.1	176	0	0	0	0	0	112.9	D413 A420 V560 F563 R564 I567	D413-A416 PolarHBondContact O-N 3.25Å; A416-A420 VanDerWaalsContact O-CB 3.29Å; A416-A420 WeakPolarHBondContact O-CB 3.4Å; A416-A420 PolarHBondContact O-N 3.09Å; A416-V560 HydrophobicContact CB-CG1 4.16Å; A416-F563 HydrophobicContact CB-CB 3.97Å; A416-R564 HydrophobicContact CB-CB 4.19Å; A416-I567 VanDerWaalsContact CA-CD1 3.47Å; A416-I567 HydrophobicContact CB-CD1 3.93Å
417	V	91.9	Very high	85.7	Confident	7 Å²	7	53.9 Å²	53.9	4%	0.042	26%	0.264	C	S	.	.	H	α-helix	trans	-69.9	-40.2	177.7	174.9	0	0	0	0	111.6	V404 D413 E415 A420 L421 L530 L555 V560	V404-V417 HydrophobicContact CG1-CG1 4.12Å; D413-V417 WeakPolarHBondContact O-CB 3.35Å; D413-V417 VanDerWaalsContact O-CG2 3.31Å; D413-V417 WeakPolarHBondContact O-CG2 3.39Å; D413-V417 PolarHBondContact O-N 2.83Å; E415-V417 PolarHBondContact O-N 2.91Å; V417-A420 PolarHBondContact O-N 3.12Å; V417-L421 HydrophobicContact CG1-CD1 4.03Å; V417-L421 HydrophobicContact CG1-CG 4.32Å; V417-L421 WeakPolarHBondContact O-CB 3.38Å; V417-L421 VanDerWaalsContact O-CG 3.22Å; V417-L421 WeakPolarHBondContact O-CG 3.32Å; V417-L421 PolarHBondContact O-N 3.06Å; V417-L530 HydrophobicContact CB-CD2 4.1Å; V417-L530 HydrophobicContact CG1-CD1 4.47Å; V417-L530 HydrophobicContact CG1-CD2 3.48Å; V417-L530 VanDerWaalsContact CG1-CD2 3.48Å; V417-L555 HydrophobicContact CG1-CD1 4.31Å; V417-L555 HydrophobicContact CG1-CD2 4.13Å; V417-V560 HydrophobicContact CG2-CG1 3.87Å; V417-V560 HydrophobicContact CG2-CG2 3.92Å
418	V	92.9	Very high	85.8	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-65.8	-43.9	174.4	169.2	0	0	0	0	111.4	R414 E415 A420 L421 L422 V432 L443 I500 F502 L530	R414-V418 PolarHBondContact O-N 3.09Å; R414-V418 VanDerWaalsContact O-N 3.07Å; E415-V418 PolarHBondContact O-N 3.41Å; V418-A420 PolarHBondContact O-N 2.89Å; V418-L421 PolarHBondContact O-N 3.04Å; V418-L422 HydrophobicContact CG1-CD1 3.45Å; V418-L422 VanDerWaalsContact CG1-CD1 3.45Å; V418-L422 HydrophobicContact CG1-CG 4.2Å; V418-L422 WeakPolarHBondContact O-CB 3.28Å; V418-L422 WeakPolarHBondContact O-CD1 3.23Å; V418-L422 VanDerWaalsContact O-CG 3.27Å; V418-L422 WeakPolarHBondContact O-CG 3.47Å; V418-L422 PolarHBondContact O-N 2.95Å; V418-V432 HydrophobicContact CG1-CG1 4.39Å; V418-L443 HydrophobicContact CG1-CD1 4.39Å; V418-L443 HydrophobicContact CG1-CD2 4.41Å; V418-I500 HydrophobicContact CG2-CG2 4.14Å; V418-F502 HydrophobicContact CG2-CD2 3.8Å; V418-L530 HydrophobicContact CG2-CD1 3.44Å; V418-L530 VanDerWaalsContact CG2-CD1 3.44Å
419	A	91.8	Very high	86.7	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-56.5	-48	173.4	0	0	0	0	0	111.8	E415 L421 L422 T423 L447 L450 F563	E415-A419 WeakPolarHBondContact O-CB 3.42Å; E415-A419 PolarHBondContact O-N 3Å; A419-L421 PolarHBondContact O-N 3.44Å; A419-L422 PolarHBondContact O-N 3.04Å; A419-T423 WeakPolarHBondContact O-CB 3.25Å; A419-T423 VanDerWaalsContact O-CG2 3.28Å; A419-T423 WeakPolarHBondContact O-CG2 3.43Å; A419-T423 PolarHBondContact O-N 3.49Å; A419-T423 PolarHBondContact O-OG1 3.38Å; A419-L447 HydrophobicContact CB-CD2 4.39Å; A419-L450 HydrophobicContact CB-CD1 3.76Å; A419-F563 HydrophobicContact CB-CD1 3.78Å; A419-F563 HydrophobicContact CB-CE1 4.26Å; A419-F563 HydrophobicContact CB-CG 4.4Å
420	A	91.2	Very high	87.6	Confident	1 Å²	1	39 Å²	39	1%	0.008	20%	0.199	C	C	.	.	H	α-helix	trans	-61	-41.6	176.7	0	0	0	0	0	113.3	A416 V417 V418 T423 R424 L555 V559 F563	A416-A420 VanDerWaalsContact O-CB 3.29Å; A416-A420 WeakPolarHBondContact O-CB 3.4Å; A416-A420 PolarHBondContact O-N 3.09Å; V417-A420 PolarHBondContact O-N 3.12Å; V418-A420 PolarHBondContact O-N 2.89Å; A420-T423 PolarHBondContact O-OG1 2.88Å; A420-R424 VanDerWaalsContact O-CB 3.25Å; A420-R424 WeakPolarHBondContact O-CB 3.46Å; A420-R424 WeakPolarHBondContact O-CG 3.41Å; A420-R424 PolarHBondContact O-N 2.84Å; A420-L555 HydrophobicContact CB-CD2 3.99Å; A420-V559 HydrophobicContact CB-CG1 4Å; A420-F563 HydrophobicContact CB-CD2 3.55Å; A420-F563 HydrophobicContact CB-CE2 3.85Å; A420-F563 HydrophobicContact CB-CG 4.18Å
421	L	91.6	Very high	88.3	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-65.1	-44	178.2	-76.7	174	0	0	0	112.7	V417 V418 A419 T425 F426 I500 V528 R553 L555	V417-L421 HydrophobicContact CG1-CD1 4.03Å; V417-L421 HydrophobicContact CG1-CG 4.32Å; V417-L421 WeakPolarHBondContact O-CB 3.38Å; V417-L421 VanDerWaalsContact O-CG 3.22Å; V417-L421 WeakPolarHBondContact O-CG 3.32Å; V417-L421 PolarHBondContact O-N 3.06Å; V418-L421 PolarHBondContact O-N 3.04Å; A419-L421 PolarHBondContact O-N 3.44Å; L421-T425 PolarHBondContact O-N 2.86Å; L421-F426 HydrophobicContact CB-CD2 4.26Å; L421-F426 HydrophobicContact CD2-CD2 4.48Å; L421-F426 HydrophobicContact CD2-CE2 4.16Å; L421-F426 PolarHBondContact O-N 3.03Å; L421-I500 HydrophobicContact CB-CD1 4.41Å; L421-V528 HydrophobicContact CD1-CG1 3.93Å; L421-R553 VanDerWaalsContact CD2-NH1 3.32Å; L421-L555 HydrophobicContact CD2-CD1 4.14Å; L421-L555 HydrophobicContact CD2-CD2 4.29Å; L421-L555 HydrophobicContact CG-CD2 4.33Å
422	L	92	Very high	89.1	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-69.7	-53.3	-178.1	-66.8	165.6	0	0	0	110.9	V418 A419 R424 F426 Q427 V430 V432 L447 L452 I480 I500	V418-L422 HydrophobicContact CG1-CD1 3.45Å; V418-L422 VanDerWaalsContact CG1-CD1 3.45Å; V418-L422 HydrophobicContact CG1-CG 4.2Å; V418-L422 WeakPolarHBondContact O-CB 3.28Å; V418-L422 WeakPolarHBondContact O-CD1 3.23Å; V418-L422 VanDerWaalsContact O-CG 3.27Å; V418-L422 WeakPolarHBondContact O-CG 3.47Å; V418-L422 PolarHBondContact O-N 2.95Å; A419-L422 PolarHBondContact O-N 3.04Å; L422-R424 VanDerWaalsContact C-N 3.31Å; L422-R424 PolarHBondContact O-N 2.85Å; L422-F426 WeakPolarHBondContact CA-O 3.35Å; L422-F426 CarbonylContact O-C 3.59Å; L422-F426 VanDerWaalsContact O-C 3.29Å; L422-F426 PolarHBondContact O-N 3.2Å; L422-F426 VanDerWaalsContact O-O 3.11Å; L422-Q427 WeakPolarHBondContact O-CG 3.23Å; L422-V430 HydrophobicContact CD2-CB 3.94Å; L422-V430 HydrophobicContact CD2-CG1 3.69Å; L422-V430 HydrophobicContact CD2-CG2 4.02Å; L422-V432 HydrophobicContact CD1-CG2 4.48Å; L422-V432 HydrophobicContact CD2-CG2 4.44Å; L422-L447 HydrophobicContact CD1-CD1 3.6Å; L422-L447 HydrophobicContact CD1-CD2 3.75Å; L422-L447 HydrophobicContact CD1-CG 4.35Å; L422-L452 HydrophobicContact CB-CD1 3.92Å; L422-I480 HydrophobicContact CB-CD1 4.18Å; L422-I480 HydrophobicContact CD1-CD1 4.09Å; L422-I480 HydrophobicContact CD1-CG2 4.36Å; L422-I480 HydrophobicContact CD2-CD1 3.92Å; L422-I480 HydrophobicContact CD2-CG1 4.22Å; L422-I480 HydrophobicContact CD2-CG2 4.25Å; L422-I480 HydrophobicContact CG-CD1 4.27Å; L422-I500 HydrophobicContact CD2-CD1 3.81Å; L422-I500 HydrophobicContact CG-CD1 4.27Å
423	T	88.5	Confident	89.8	Confident	35 Å²	35	27.2 Å²	27.2	22%	0.215	13%	0.131	C	C	.	.	H	α-helix	trans	-60.4	-32.6	179.1	53.9	0	0	0	0	114.4	A419 A420 Q427 L452 F563	A419-T423 WeakPolarHBondContact O-CB 3.25Å; A419-T423 VanDerWaalsContact O-CG2 3.28Å; A419-T423 WeakPolarHBondContact O-CG2 3.43Å; A419-T423 PolarHBondContact O-N 3.49Å; A419-T423 PolarHBondContact O-OG1 3.38Å; A420-T423 PolarHBondContact O-OG1 2.88Å; T423-Q427 PolarHBondContact O-NE2 2.71Å; T423-L452 HydrophobicContact CG2-CD1 4.25Å; T423-L452 HydrophobicContact CG2-CD2 4.35Å; T423-F563 HydrophobicContact CG2-CE1 4.06Å; T423-F563 HydrophobicContact CG2-CZ 4.1Å; T423-F563 WeakPolarHBondContact OG1-CZ 3.46Å
424	R	86.1	Confident	90.2	Very high	165 Å²	165	26 Å²	26	62%	0.623	12%	0.124	S	C	*	.	H	α-helix	trans	-111.2	-11.8	-171.1	-60.4	-176.7	59.9	138.5	2	116.6	A420 L422	A420-R424 VanDerWaalsContact O-CB 3.25Å; A420-R424 WeakPolarHBondContact O-CB 3.46Å; A420-R424 WeakPolarHBondContact O-CG 3.41Å; A420-R424 PolarHBondContact O-N 2.84Å; L422-R424 VanDerWaalsContact C-N 3.31Å; L422-R424 PolarHBondContact O-N 2.85Å
425	T	85.1	Confident	90.1	Very high	67 Å²	67	31.2 Å²	31.2	41%	0.411	15%	0.149	S	C	.	.	H	α-helix	trans	-144.5	-27.1	-174.8	-47.8	0	0	0	0	114.4	L421 R553	L421-T425 PolarHBondContact O-N 2.86Å; T425-R553 PolarHBondContact OG1-NH1 2.66Å
426	F	87.4	Confident	90	Very high	7 Å²	7	32.7 Å²	32.7	3%	0.031	16%	0.16	C	C	.	.			trans	-133.7	77.6	-172.1	-57	-67.1	0	0	0	109.7	L421 L422 V430 T498 I500 V528	L421-F426 HydrophobicContact CB-CD2 4.26Å; L421-F426 HydrophobicContact CD2-CD2 4.48Å; L421-F426 HydrophobicContact CD2-CE2 4.16Å; L421-F426 PolarHBondContact O-N 3.03Å; L422-F426 WeakPolarHBondContact CA-O 3.35Å; L422-F426 CarbonylContact O-C 3.59Å; L422-F426 VanDerWaalsContact O-C 3.29Å; L422-F426 PolarHBondContact O-N 3.2Å; L422-F426 VanDerWaalsContact O-O 3.11Å; F426-V430 HydrophobicContact CB-CG2 3.75Å; F426-V430 WeakPolarHBondContact O-CG2 3.41Å; F426-T498 HydrophobicContact CD1-CG2 3.64Å; F426-T498 VanDerWaalsContact CD1-OG1 3.23Å; F426-T498 WeakPolarHBondContact CD1-OG1 3.18Å; F426-T498 HydrophobicContact CD2-CG2 4.35Å; F426-T498 HydrophobicContact CE1-CG2 3.71Å; F426-T498 HydrophobicContact CE2-CG2 4.42Å; F426-T498 HydrophobicContact CG-CG2 3.94Å; F426-T498 HydrophobicContact CZ-CG2 4.09Å; F426-I500 HydrophobicContact CD2-CD1 4.4Å; F426-V528 HydrophobicContact CE2-CG2 3.64Å; F426-V528 HydrophobicContact CZ-CG2 3.61Å
427	Q	80.9	Confident	89.9	Confident	117 Å²	117	38 Å²	38	55%	0.547	18%	0.18	S	C	.	.			trans	-91.2	-12.2	179.4	-65.7	176.4	-7.7	0	0	112.6	L422 T423 D479	L422-Q427 WeakPolarHBondContact O-CG 3.23Å; T423-Q427 PolarHBondContact O-NE2 2.71Å; Q427-D479 WeakPolarHBondContact O-CB 3.46Å
428	D	86.4	Confident	89.9	Confident	80 Å²	80	46.5 Å²	46.5	43%	0.428	22%	0.216	S	C	.	.	S	Bend	trans	-115.7	130.8	-173.6	-62	29.6	0	0	0	112.5	V430 K497	D428-V430 VanDerWaalsContact O-CG2 3.26Å; D428-V430 WeakPolarHBondContact O-CG2 3.34Å; D428-V430 PolarHBondContact O-N 3.03Å; D428-K497 HydrophobicContact CB-CD 3.72Å; D428-K497 IonicContact OD2-NZ 2.9Å; D428-K497 PolarHBondContact OD2-NZ 2.81Å
429	H	89.4	Confident	89.8	Confident	11 Å²	11	49.4 Å²	49.4	5%	0.051	23%	0.23	C	C	.	.	S	Bend	trans	45.8	54.5	162	-71.8	77.7	0	0	0	114	F473 E476 D479 K497 T498	H429-F473 HydrophobicContact CB-CZ 4.23Å; H429-E476 VanDerWaalsContact CE1-CD 3.46Å; H429-E476 IonicContact CE1-OE1 2.71Å; H429-E476 PolarHBondContact CE1-OE1 2.95Å; H429-E476 IonicContact NE2-OE1 3.61Å; H429-D479 CarbonylContact C-O 3.58Å; H429-D479 VanDerWaalsContact CA-O 3.26Å; H429-D479 WeakPolarHBondContact CA-O 3.25Å; H429-D479 PolarHBondContact N-O 3.27Å; H429-K497 HydrophobicContact CB-CB 4.37Å; H429-K497 HydrophobicContact CB-CD 4.33Å; H429-K497 HydrophobicContact CB-CG 3.98Å; H429-K497 PolarHBondContact O-N 3.43Å; H429-T498 PolarHBondContact O-N 3.14Å
430	V	92.6	Very high	89.8	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	127	-174.7	-168.7	0	0	0	0	111.1	L422 F426 D428 V432 D479 I480 L481 T498 I500	L422-V430 HydrophobicContact CD2-CB 3.94Å; L422-V430 HydrophobicContact CD2-CG1 3.69Å; L422-V430 HydrophobicContact CD2-CG2 4.02Å; F426-V430 HydrophobicContact CB-CG2 3.75Å; F426-V430 WeakPolarHBondContact O-CG2 3.41Å; D428-V430 VanDerWaalsContact O-CG2 3.26Å; D428-V430 WeakPolarHBondContact O-CG2 3.34Å; D428-V430 PolarHBondContact O-N 3.03Å; V430-V432 HydrophobicContact CG1-CG2 4.19Å; V430-D479 PolarHBondContact N-O 3.48Å; V430-I480 HydrophobicContact CB-CG1 4.46Å; V430-I480 CarbonylContact O-C 3.58Å; V430-I480 WeakPolarHBondContact O-CA 3.43Å; V430-L481 PolarHBondContact O-N 2.78Å; V430-T498 WeakPolarHBondContact CA-O 3.26Å; V430-T498 HydrophobicContact CG1-CG2 4.28Å; V430-I500 HydrophobicContact CG1-CD1 3.72Å; V430-I500 HydrophobicContact CG1-CG1 3.79Å
431	M	92.6	Very high	89.8	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	118	173.1	-165.3	174.6	-166.7	0	0	110.8	F433 L481 A483 A488 I493 V496 T498 V499 I500 R517	M431-F433 HydrophobicContact CE-CE1 4.41Å; M431-F433 HydrophobicContact CE-CE2 4.24Å; M431-F433 HydrophobicContact CE-CZ 3.82Å; M431-F433 HydrophobicContact CG-CD2 4.37Å; M431-F433 HydrophobicContact CG-CE2 3.87Å; M431-F433 HydrophobicContact CG-CZ 4.4Å; M431-F433 HydrophobicContact SD-CE2 3.69Å; M431-F433 HydrophobicContact SD-CZ 3.78Å; M431-L481 WeakPolarHBondContact CA-O 3.42Å; M431-L481 HydrophobicContact CE-CD2 4.24Å; M431-A483 HydrophobicContact CE-CB 3.67Å; M431-A488 HydrophobicContact CE-CB 3.45Å; M431-A488 VanDerWaalsContact CE-CB 3.45Å; M431-I493 HydrophobicContact CE-CD1 3.64Å; M431-I493 HydrophobicContact SD-CD1 4.09Å; M431-V496 HydrophobicContact CB-CG1 3.9Å; M431-T498 PolarHBondContact N-O 2.75Å; M431-V499 CarbonylContact O-C 3.51Å; M431-V499 WeakPolarHBondContact O-CA 3.33Å; M431-I500 PolarHBondContact O-N 3.37Å; M431-R517 HydrophobicContact SD-CB 3.99Å; M431-R517 HydrophobicContact SD-CG 3.71Å
432	V	93.9	Very high	89.9	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	114.2	-176.6	-171.4	0	0	0	0	110.6	V418 L422 V430 L443 I480 L481 V482 A483 I500 F502	V418-V432 HydrophobicContact CG1-CG1 4.39Å; L422-V432 HydrophobicContact CD1-CG2 4.48Å; L422-V432 HydrophobicContact CD2-CG2 4.44Å; V430-V432 HydrophobicContact CG1-CG2 4.19Å; V432-L443 HydrophobicContact CG1-CD2 3.87Å; V432-I480 HydrophobicContact CG2-CG2 3.85Å; V432-L481 PolarHBondContact N-O 3.02Å; V432-V482 HydrophobicContact CB-CG2 4.28Å; V432-V482 CarbonylContact O-C 3.54Å; V432-V482 WeakPolarHBondContact O-CA 3.34Å; V432-A483 PolarHBondContact O-N 3.39Å; V432-I500 CarbonylContact C-O 3.57Å; V432-I500 WeakPolarHBondContact CA-O 3.48Å; V432-I500 HydrophobicContact CG1-CB 4.36Å; V432-I500 HydrophobicContact CG1-CG2 4.39Å; V432-I500 HydrophobicContact CG2-CB 4.3Å; V432-F502 HydrophobicContact CG1-CB 4.4Å
433	F	94.1	Very high	89.9	Confident	4 Å²	4	52.9 Å²	52.9	2%	0.018	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	119.6	-179.1	-80.1	-88.7	0	0	0	112.8	M431 A483 A488 V499 I500 F502 R514 R517	M431-F433 HydrophobicContact CE-CE1 4.41Å; M431-F433 HydrophobicContact CE-CE2 4.24Å; M431-F433 HydrophobicContact CE-CZ 3.82Å; M431-F433 HydrophobicContact CG-CD2 4.37Å; M431-F433 HydrophobicContact CG-CE2 3.87Å; M431-F433 HydrophobicContact CG-CZ 4.4Å; M431-F433 HydrophobicContact SD-CE2 3.69Å; M431-F433 HydrophobicContact SD-CZ 3.78Å; F433-A483 WeakPolarHBondContact CA-O 3.34Å; F433-A488 HydrophobicContact CE1-CB 3.54Å; F433-A488 HydrophobicContact CZ-CB 3.93Å; F433-V499 HydrophobicContact CD2-CG1 3.77Å; F433-V499 HydrophobicContact CE2-CG1 3.88Å; F433-I500 PolarHBondContact N-O 2.69Å; F433-F502 WeakPolarHBondContact O-CB 3.49Å; F433-F502 PolarHBondContact O-N 3.27Å; F433-R514 HydrophobicContact CD1-CB 4.47Å; F433-R514 HydrophobicContact CD1-CG 3.68Å; F433-R514 HydrophobicContact CD2-CB 4.1Å; F433-R514 HydrophobicContact CD2-CG 4.17Å; F433-R514 HydrophobicContact CE1-CB 4.32Å; F433-R514 HydrophobicContact CE1-CG 3.69Å; F433-R514 HydrophobicContact CE2-CB 3.95Å; F433-R514 HydrophobicContact CE2-CG 4.18Å; F433-R514 HydrophobicContact CG-CB 4.35Å; F433-R514 HydrophobicContact CG-CG 3.91Å; F433-R514 HydrophobicContact CZ-CB 4.07Å; F433-R514 HydrophobicContact CZ-CG 3.95Å; F433-R517 HydrophobicContact CE2-CG 4.05Å; F433-R517 HydrophobicContact CZ-CG 3.82Å
434	T	92.9	Very high	90.1	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	157.6	172.8	60.7	0	0	0	0	111.3	Q439 A440 L443 V482 A483 F502	T434-Q439 HydrophobicContact CG2-CB 4.32Å; T434-A440 WeakPolarHBondContact OG1-CB 3.4Å; T434-L443 HydrophobicContact CG2-CD2 4.12Å; T434-V482 HydrophobicContact CG2-CG1 4.11Å; T434-A483 PolarHBondContact N-O 2.82Å; T434-A483 PolarHBondContact OG1-O 3.36Å; T434-F502 HydrophobicContact CG2-CB 4.13Å; T434-F502 HydrophobicContact CG2-CD1 4.3Å; T434-F502 HydrophobicContact CG2-CG 4.26Å
435	Q	88.3	Confident	90.4	Very high	130 Å²	130	43.6 Å²	43.6	61%	0.607	21%	0.205	S	C	*	.	S	Bend	trans	-80.9	-37	178.4	-172.5	178.4	3.5	0	0	112.7	T503	Q435-T503 HydrophobicContact CB-CG2 4.29Å
436	T	89.8	Confident	90.8	Very high	59 Å²	59	40.4 Å²	40.4	36%	0.362	19%	0.185	S	C	.	.	S	Bend	trans	-120.1	151.6	-173.7	72.2	0	0	0	0	113	K438 Q439 A440	T436-K438 VanDerWaalsContact C-N 3.31Å; T436-K438 PolarHBondContact O-N 3.32Å; T436-Q439 PolarHBondContact O-N 3.4Å; T436-Q439 WeakPolarHBondContact OG1-CB 3.45Å; T436-Q439 VanDerWaalsContact OG1-CG 3.26Å; T436-Q439 WeakPolarHBondContact OG1-CG 3.27Å; T436-Q439 PolarHBondContact OG1-N 2.91Å; T436-Q439 PolarHBondContact OG1-OE1 3.48Å; T436-A440 PolarHBondContact O-N 3.46Å
437	R	89.3	Confident	91	Very high	115 Å²	115	40.1 Å²	40.1	43%	0.434	18%	0.184	S	C	.	.	H	α-helix	trans	-61.7	-39	178.2	-49.9	-175.2	-172.7	-177.1	-4.6	112.2	Q439 A440 H441 H458 G459 T484	R437-Q439 VanDerWaalsContact C-N 3.35Å; R437-Q439 PolarHBondContact O-N 2.87Å; R437-A440 WeakPolarHBondContact O-CB 3.43Å; R437-A440 PolarHBondContact O-N 3.04Å; R437-H441 PolarHBondContact O-N 2.84Å; R437-H458 HydrophobicContact CB-CB 4.26Å; R437-H458 HydrophobicContact CG-CB 4.12Å; R437-G459 VanDerWaalsContact NH1-C 3.32Å; R437-G459 PolarHBondContact NH1-O 3.26Å; R437-T484 HydrophobicContact CG-CG2 4.38Å
438	K	90.4	Very high	91.4	Very high	185 Å²	185	35.1 Å²	35.1	80%	0.804	16%	0.163	S	C	*	.	H	α-helix	trans	-60.1	-42.1	175.9	-66.2	-171.8	175.6	-173.1	0	112.2	T436 R442	T436-K438 VanDerWaalsContact C-N 3.31Å; T436-K438 PolarHBondContact O-N 3.32Å; K438-R442 VanDerWaalsContact O-CB 3.3Å; K438-R442 WeakPolarHBondContact O-CB 3.41Å; K438-R442 PolarHBondContact O-N 3Å
439	Q	91.3	Very high	91.6	Very high	60 Å²	60	31.7 Å²	31.7	28%	0.28	15%	0.145	S	C	.	.	H	α-helix	trans	-67.5	-39	174.4	-73.6	162.4	-37.4	0	0	112.2	T434 T436 R437 L443	T434-Q439 HydrophobicContact CG2-CB 4.32Å; T436-Q439 PolarHBondContact O-N 3.4Å; T436-Q439 WeakPolarHBondContact OG1-CB 3.45Å; T436-Q439 VanDerWaalsContact OG1-CG 3.26Å; T436-Q439 WeakPolarHBondContact OG1-CG 3.27Å; T436-Q439 PolarHBondContact OG1-N 2.91Å; T436-Q439 PolarHBondContact OG1-OE1 3.48Å; R437-Q439 VanDerWaalsContact C-N 3.35Å; R437-Q439 PolarHBondContact O-N 2.87Å; Q439-L443 WeakPolarHBondContact O-CB 3.48Å; Q439-L443 PolarHBondContact O-N 3.48Å
440	A	91.8	Very high	91.6	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-58.8	-49.7	175.5	0	0	0	0	0	111.7	T434 T436 R437 L443 H444 V482 T484	T434-A440 WeakPolarHBondContact OG1-CB 3.4Å; T436-A440 PolarHBondContact O-N 3.46Å; R437-A440 WeakPolarHBondContact O-CB 3.43Å; R437-A440 PolarHBondContact O-N 3.04Å; A440-L443 PolarHBondContact O-N 3.11Å; A440-H444 PolarHBondContact O-N 3.2Å; A440-V482 HydrophobicContact CB-CG1 3.99Å; A440-T484 HydrophobicContact CB-CG2 4Å
441	H	91.9	Very high	91.3	Very high	11 Å²	11	34.9 Å²	34.9	5%	0.051	17%	0.171	C	C	.	.	H	α-helix	trans	-69.3	-44.9	-177.5	-168	73.9	0	0	0	112.7	L84 R437 L443 H444 I445 E456 H458 E581	L84-H441 VanDerWaalsContact CD2-CE1 3.47Å; L84-H441 WeakPolarHBondContact CD2-CE1 3.46Å; R437-H441 PolarHBondContact O-N 2.84Å; H441-L443 VanDerWaalsContact C-N 3.29Å; H441-L443 PolarHBondContact O-N 3.35Å; H441-H444 PolarHBondContact O-N 3.38Å; H441-I445 WeakPolarHBondContact O-CG1 3.5Å; H441-I445 PolarHBondContact O-N 3.12Å; H441-E456 WeakPolarHBondContact CA-OE2 3.46Å; H441-E456 IonicContact CE1-OE1 2.79Å; H441-E456 IonicContact CG-OE2 2.6Å; H441-E456 VanDerWaalsContact ND1-CD 3.32Å; H441-E456 IonicContact ND1-OE1 2.75Å; H441-E456 PolarHBondContact ND1-OE1 3.26Å; H441-E456 IonicContact ND1-OE2 2.65Å; H441-E456 PolarHBondContact ND1-OE2 3.02Å; H441-H458 AromaticContact CG-NE2 3.97Å; H441-H458 AromaticContact ND1-NE2 3.39Å; H441-H458 PolarHBondContact ND1-NE2 3.07Å; H441-E581 IonicContact CE1-OE1 3.09Å; H441-E581 IonicContact NE2-OE1 2.73Å; H441-E581 IonicContact NE2-OE2 3.31Å
442	R	92.6	Very high	91.1	Very high	62 Å²	62	36.8 Å²	36.8	23%	0.234	18%	0.181	C	C	.	.	H	α-helix	trans	-55.9	-44.5	172.6	176.8	-179.5	165.5	86	7.1	111.4	E415 K438 I445 L446 E571 V574	E415-R442 VanDerWaalsContact CD-NE 3.35Å; E415-R442 WeakPolarHBondContact OE1-CD 3.27Å; E415-R442 IonicContact OE1-CZ 3.79Å; E415-R442 IonicContact OE1-NE 3.24Å; E415-R442 PolarHBondContact OE1-NE 2.91Å; E415-R442 IonicContact OE1-NH2 3.5Å; E415-R442 IonicContact OE2-CZ 3.67Å; E415-R442 IonicContact OE2-NE 2.98Å; E415-R442 PolarHBondContact OE2-NE 3.08Å; E415-R442 VanDerWaalsContact OE2-NE 3.09Å; E415-R442 IonicContact OE2-NH2 3.72Å; E415-R442 PolarHBondContact OE2-NH2 2.8Å; K438-R442 VanDerWaalsContact O-CB 3.3Å; K438-R442 WeakPolarHBondContact O-CB 3.41Å; K438-R442 PolarHBondContact O-N 3Å; R442-I445 PolarHBondContact O-N 2.92Å; R442-L446 WeakPolarHBondContact O-CB 3.31Å; R442-L446 PolarHBondContact O-N 2.69Å; R442-E571 IonicContact CZ-OE1 3.42Å; R442-E571 IonicContact CZ-OE2 2.7Å; R442-E571 IonicContact NH1-OE1 2.66Å; R442-E571 PolarHBondContact NH1-OE1 3.35Å; R442-E571 IonicContact NH1-OE2 3.81Å; R442-E571 PolarHBondContact NH1-OE2 3.12Å; R442-E571 IonicContact NH2-OE1 3.28Å; R442-E571 IonicContact NH2-OE2 3.3Å; R442-E571 PolarHBondContact NH2-OE2 3.01Å; R442-V574 HydrophobicContact CG-CG1 4.43Å
443	L	92.8	Very high	91	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-69.7	-34.5	-179.5	-172.9	63.6	0	0	0	112.2	V418 V432 T434 Q439 A440 H441 L447 V482 F502	V418-L443 HydrophobicContact CG1-CD1 4.39Å; V418-L443 HydrophobicContact CG1-CD2 4.41Å; V432-L443 HydrophobicContact CG1-CD2 3.87Å; T434-L443 HydrophobicContact CG2-CD2 4.12Å; Q439-L443 WeakPolarHBondContact O-CB 3.48Å; Q439-L443 PolarHBondContact O-N 3.48Å; A440-L443 PolarHBondContact O-N 3.11Å; H441-L443 VanDerWaalsContact C-N 3.29Å; H441-L443 PolarHBondContact O-N 3.35Å; L443-L447 HydrophobicContact CD1-CD1 3.91Å; L443-L447 HydrophobicContact CD1-CD2 4.33Å; L443-L447 HydrophobicContact CD1-CG 3.9Å; L443-L447 HydrophobicContact CD2-CD1 4.44Å; L443-L447 HydrophobicContact CG-CD1 3.76Å; L443-L447 HydrophobicContact CG-CG 4.18Å; L443-L447 WeakPolarHBondContact O-CB 3.22Å; L443-L447 WeakPolarHBondContact O-CG 3.27Å; L443-L447 PolarHBondContact O-N 2.88Å; L443-V482 HydrophobicContact CB-CG1 4.31Å; L443-V482 HydrophobicContact CD2-CG1 4.03Å; L443-V482 HydrophobicContact CD2-CG2 4.24Å; L443-V482 HydrophobicContact CG-CG1 4.47Å; L443-V482 HydrophobicContact CG-CG2 4.31Å; L443-F502 HydrophobicContact CD2-CD2 4.32Å
444	H	92.8	Very high	90.9	Very high	6 Å²	6	42 Å²	42	3%	0.028	21%	0.205	C	C	.	.	H	α-helix	trans	-59.7	-51.2	170.2	177.5	106.9	0	0	0	111.2	L84 D85 A440 H441 L446 L447 G448 V454 G455 E456	L84-H444 WeakPolarHBondContact CD2-CD2 3.48Å; D85-H444 IonicContact OD1-NE2 3.55Å; D85-H444 PolarHBondContact OD1-NE2 3.16Å; A440-H444 PolarHBondContact O-N 3.2Å; H441-H444 PolarHBondContact O-N 3.38Å; H444-L446 PolarHBondContact O-N 3.27Å; H444-L447 PolarHBondContact O-N 2.88Å; H444-G448 PolarHBondContact O-N 3.45Å; H444-V454 HydrophobicContact CB-CG1 4.34Å; H444-V454 WeakPolarHBondContact CE1-CG1 3.39Å; H444-V454 PolarHBondContact NE2-O 2.88Å; H444-G455 WeakPolarHBondContact CE1-CA 3.41Å; H444-G455 PolarHBondContact CE1-N 3.24Å; H444-G455 PolarHBondContact CE1-O 2.9Å; H444-G455 WeakPolarHBondContact NE2-CA 3.49Å; H444-E456 HydrophobicContact CB-CB 4.17Å; H444-E456 HydrophobicContact CB-CG 4.49Å; H444-E456 VanDerWaalsContact CE1-CB 3.42Å; H444-E456 WeakPolarHBondContact CE1-CB 3.33Å; H444-E456 PolarHBondContact CE1-N 3.38Å
445	I	92.2	Very high	90.7	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-58.7	-49.1	178.5	-65.1	166.8	0	0	0	110.6	L84 I88 H441 R442 L447 G448 L449 V574 V577 M578	L84-I445 HydrophobicContact CD1-CG1 4.38Å; I88-I445 HydrophobicContact CD1-CG1 4.45Å; H441-I445 WeakPolarHBondContact O-CG1 3.5Å; H441-I445 PolarHBondContact O-N 3.12Å; R442-I445 PolarHBondContact O-N 2.92Å; I445-L447 PolarHBondContact O-N 3.37Å; I445-G448 PolarHBondContact O-N 3.36Å; I445-L449 HydrophobicContact CG2-CD1 3.81Å; I445-L449 HydrophobicContact CG2-CG 4.31Å; I445-L449 WeakPolarHBondContact O-CB 3.45Å; I445-L449 VanDerWaalsContact O-CG 3.29Å; I445-L449 WeakPolarHBondContact O-CG 3.36Å; I445-L449 PolarHBondContact O-N 3.44Å; I445-V574 HydrophobicContact CG2-CB 4.42Å; I445-V574 HydrophobicContact CG2-CG1 4.27Å; I445-V574 HydrophobicContact CG2-CG2 4.22Å; I445-V577 HydrophobicContact CD1-CB 4.42Å; I445-V577 HydrophobicContact CD1-CG1 3.79Å; I445-V577 HydrophobicContact CG1-CG1 3.95Å; I445-V577 HydrophobicContact CG2-CB 3.92Å; I445-V577 HydrophobicContact CG2-CG1 3.96Å; I445-V577 HydrophobicContact CG2-CG2 4.23Å; I445-M578 HydrophobicContact CD1-CG 3.97Å; I445-M578 HydrophobicContact CD1-SD 3.55Å; I445-M578 VanDerWaalsContact CD1-SD 3.55Å
446	L	93.1	Very high	90.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61.6	-46.6	-177.5	-173.8	68	0	0	0	112.5	E415 R442 H444 L449 L450 I567 L570 V574	E415-L446 HydrophobicContact CB-CD2 4.04Å; R442-L446 WeakPolarHBondContact O-CB 3.31Å; R442-L446 PolarHBondContact O-N 2.69Å; H444-L446 PolarHBondContact O-N 3.27Å; L446-L449 PolarHBondContact O-N 3.05Å; L446-L450 WeakPolarHBondContact O-CG 3.32Å; L446-L450 PolarHBondContact O-N 2.9Å; L446-I567 HydrophobicContact CD1-CG1 4.15Å; L446-I567 HydrophobicContact CD1-CG2 4.1Å; L446-I567 HydrophobicContact CD2-CD1 4.06Å; L446-I567 HydrophobicContact CD2-CG1 4.08Å; L446-I567 HydrophobicContact CD2-CG2 4.28Å; L446-I567 HydrophobicContact CG-CG1 4.49Å; L446-L570 HydrophobicContact CD1-CB 4.24Å; L446-L570 HydrophobicContact CD1-CD1 4.34Å; L446-V574 HydrophobicContact CB-CG2 4.48Å; L446-V574 HydrophobicContact CD1-CG2 3.87Å
447	L	92	Very high	90.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-71.3	-31.8	179.1	-63.6	173.7	0	0	0	112.3	A419 L422 L443 H444 I445 L450 G451 L452 V454 V482	A419-L447 HydrophobicContact CB-CD2 4.39Å; L422-L447 HydrophobicContact CD1-CD1 3.6Å; L422-L447 HydrophobicContact CD1-CD2 3.75Å; L422-L447 HydrophobicContact CD1-CG 4.35Å; L443-L447 HydrophobicContact CD1-CD1 3.91Å; L443-L447 HydrophobicContact CD1-CD2 4.33Å; L443-L447 HydrophobicContact CD1-CG 3.9Å; L443-L447 HydrophobicContact CD2-CD1 4.44Å; L443-L447 HydrophobicContact CG-CD1 3.76Å; L443-L447 HydrophobicContact CG-CG 4.18Å; L443-L447 WeakPolarHBondContact O-CB 3.22Å; L443-L447 WeakPolarHBondContact O-CG 3.27Å; L443-L447 PolarHBondContact O-N 2.88Å; H444-L447 PolarHBondContact O-N 2.88Å; I445-L447 PolarHBondContact O-N 3.37Å; L447-L450 HydrophobicContact CD2-CD1 4.25Å; L447-L450 WeakPolarHBondContact O-CB 3.49Å; L447-L450 PolarHBondContact O-N 3.24Å; L447-G451 PolarHBondContact O-N 2.87Å; L447-L452 HydrophobicContact CB-CD1 4.35Å; L447-L452 HydrophobicContact CD2-CD1 3.99Å; L447-L452 PolarHBondContact O-N 2.95Å; L447-V454 HydrophobicContact CB-CG2 3.55Å; L447-V454 HydrophobicContact CD1-CG2 4.29Å; L447-V482 HydrophobicContact CD1-CG2 4.24Å
448	G	90.3	Very high	90.7	Very high	12 Å²	12	28.4 Å²	28.4	12%	0.124	14%	0.142	C	C	.	.	H	α-helix	trans	-68.9	-36.6	172.1	0	0	0	0	0	113.2	R92 H444 I445 G451	R92-G448 PolarHBondContact NE-O 3.36Å; H444-G448 PolarHBondContact O-N 3.45Å; I445-G448 PolarHBondContact O-N 3.36Å; G448-G451 WeakPolarHBondContact O-CA 3.27Å; G448-G451 PolarHBondContact O-N 2.95Å
449	L	89.3	Confident	90.1	Very high	9 Å²	9	21.2 Å²	21.2	5%	0.047	12%	0.121	C	C	.	.	H	α-helix	trans	-67.7	-33.8	171.2	-71.5	169.3	0	0	0	112.1	I88 V91 R92 I445 L446 G451 L570 D573 V574	I88-L449 HydrophobicContact CG2-CD2 4.14Å; I88-L449 HydrophobicContact CG2-CG 4.31Å; V91-L449 HydrophobicContact CB-CD2 4.48Å; V91-L449 HydrophobicContact CG1-CD2 4.12Å; R92-L449 HydrophobicContact CG-CD2 3.87Å; R92-L449 PolarHBondContact NE-O 3.29Å; R92-L449 PolarHBondContact NH2-O 2.7Å; I445-L449 HydrophobicContact CG2-CD1 3.81Å; I445-L449 HydrophobicContact CG2-CG 4.31Å; I445-L449 WeakPolarHBondContact O-CB 3.45Å; I445-L449 VanDerWaalsContact O-CG 3.29Å; I445-L449 WeakPolarHBondContact O-CG 3.36Å; I445-L449 PolarHBondContact O-N 3.44Å; L446-L449 PolarHBondContact O-N 3.05Å; L449-G451 VanDerWaalsContact C-N 3.26Å; L449-G451 PolarHBondContact O-N 3.17Å; L449-L570 HydrophobicContact CB-CD2 4.06Å; L449-D573 HydrophobicContact CD1-CB 3.78Å; L449-D573 HydrophobicContact CD2-CB 4.18Å; L449-V574 HydrophobicContact CD1-CB 4.48Å; L449-V574 HydrophobicContact CD1-CG2 3.63Å
450	L	89.1	Confident	89.6	Confident	39 Å²	39	23.3 Å²	23.3	20%	0.204	13%	0.13	C	C	.	.	H	α-helix	trans	-67.8	-25.9	167.2	-69.5	168	0	0	0	112.3	R92 A419 L446 L447 L566 L570	R92-L450 PolarHBondContact NH2-O 3.4Å; R92-L450 VanDerWaalsContact NH2-O 3.12Å; A419-L450 HydrophobicContact CB-CD1 3.76Å; L446-L450 WeakPolarHBondContact O-CG 3.32Å; L446-L450 PolarHBondContact O-N 2.9Å; L447-L450 HydrophobicContact CD2-CD1 4.25Å; L447-L450 WeakPolarHBondContact O-CB 3.49Å; L447-L450 PolarHBondContact O-N 3.24Å; L450-L566 HydrophobicContact CD2-CD2 3.44Å; L450-L566 VanDerWaalsContact CD2-CD2 3.44Å; L450-L566 HydrophobicContact CD2-CG 3.97Å; L450-L570 HydrophobicContact CD2-CD1 3.63Å; L450-L570 HydrophobicContact CG-CD1 3.96Å
451	G	86.5	Confident	89.1	Confident	38 Å²	38	24.3 Å²	24.3	39%	0.392	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	102.6	19.2	170.4	0	0	0	0	0	115.6	R92 L447 G448 L449	R92-G451 VanDerWaalsContact NH1-CA 3.29Å; L447-G451 PolarHBondContact O-N 2.87Å; G448-G451 WeakPolarHBondContact O-CA 3.27Å; G448-G451 PolarHBondContact O-N 2.95Å; L449-G451 VanDerWaalsContact C-N 3.26Å; L449-G451 PolarHBondContact O-N 3.17Å
452	L	89.6	Confident	88.6	Confident	40 Å²	40	26.3 Å²	26.3	21%	0.209	15%	0.151	C	C	.	.			trans	-81.2	146.8	171.8	-54.3	170.4	0	0	0	109.2	L422 T423 L447 V454 I480	L422-L452 HydrophobicContact CB-CD1 3.92Å; T423-L452 HydrophobicContact CG2-CD1 4.25Å; T423-L452 HydrophobicContact CG2-CD2 4.35Å; L447-L452 HydrophobicContact CB-CD1 4.35Å; L447-L452 HydrophobicContact CD2-CD1 3.99Å; L447-L452 PolarHBondContact O-N 2.95Å; L452-V454 HydrophobicContact CB-CG2 3.96Å; L452-V454 WeakPolarHBondContact O-CG2 3.3Å; L452-V454 PolarHBondContact O-N 3.4Å; L452-V454 VanDerWaalsContact O-N 3.14Å; L452-I480 HydrophobicContact CB-CD1 3.71Å; L452-I480 HydrophobicContact CD1-CD1 3.73Å; L452-I480 HydrophobicContact CG-CD1 4.21Å
453	K	90.6	Very high	87.6	Confident	105 Å²	105	23.8 Å²	23.8	46%	0.457	14%	0.142	S	C	.	.			trans	-76	103.4	173.7	-47.6	-172.1	-135.3	98.3	0	108.7	Q477 D479 I480	K453-Q477 VanDerWaalsContact CD-O 3.25Å; K453-Q477 WeakPolarHBondContact CD-O 3.37Å; K453-D479 HydrophobicContact CB-CB 4.48Å; K453-D479 VanDerWaalsContact CB-OD2 3.28Å; K453-D479 WeakPolarHBondContact CB-OD2 3.25Å; K453-D479 WeakPolarHBondContact CD-OD2 3.15Å; K453-D479 WeakPolarHBondContact CE-OD2 3.36Å; K453-D479 WeakPolarHBondContact CG-OD2 3.29Å; K453-D479 IonicContact NZ-OD1 2.73Å; K453-D479 PolarHBondContact NZ-OD1 3.12Å; K453-D479 IonicContact NZ-OD2 3.44Å; K453-D479 PolarHBondContact NZ-OD2 3.36Å; K453-D479 PolarHBondContact O-N 3.18Å; K453-D479 VanDerWaalsContact O-N 3.08Å; K453-I480 PolarHBondContact O-N 3.32Å; K453-I480 VanDerWaalsContact O-N 3.1Å
454	V	91.6	Very high	86.8	Confident	9 Å²	9	26.6 Å²	26.6	6%	0.055	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	145.8	-175.9	-169.9	0	0	0	0	110.9	H444 L447 L452 I480 V482	H444-V454 HydrophobicContact CB-CG1 4.34Å; H444-V454 WeakPolarHBondContact CE1-CG1 3.39Å; H444-V454 PolarHBondContact NE2-O 2.88Å; L447-V454 HydrophobicContact CB-CG2 3.55Å; L447-V454 HydrophobicContact CD1-CG2 4.29Å; L452-V454 HydrophobicContact CB-CG2 3.96Å; L452-V454 WeakPolarHBondContact O-CG2 3.3Å; L452-V454 PolarHBondContact O-N 3.4Å; L452-V454 VanDerWaalsContact O-N 3.14Å; V454-I480 CarbonylContact C-O 3.59Å; V454-I480 VanDerWaalsContact CA-O 3.31Å; V454-I480 WeakPolarHBondContact CA-O 3.42Å; V454-I480 HydrophobicContact CG1-CB 4.41Å; V454-I480 HydrophobicContact CG1-CG2 4.36Å; V454-I480 WeakPolarHBondContact CG1-O 3.28Å; V454-I480 HydrophobicContact CG2-CB 4.13Å; V454-I480 HydrophobicContact CG2-CD1 4.25Å; V454-V482 HydrophobicContact CG1-CG2 3.64Å
455	G	90.6	Very high	86.3	Confident	0 Å²	0	31 Å²	31	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	149.9	169.3	0	0	0	0	0	109.8	H444 I478 I480 V482	H444-G455 WeakPolarHBondContact CE1-CA 3.41Å; H444-G455 PolarHBondContact CE1-N 3.24Å; H444-G455 PolarHBondContact CE1-O 2.9Å; H444-G455 WeakPolarHBondContact NE2-CA 3.49Å; G455-I478 VanDerWaalsContact N-CG2 3.27Å; G455-I480 PolarHBondContact N-O 3.03Å; G455-V482 PolarHBondContact O-N 2.85Å
456	E	91	Very high	85.8	Confident	10 Å²	10	31.7 Å²	31.7	5%	0.047	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	149	178.6	52.2	165.1	-170.9	0	0	113.3	H441 H444 H458 L461 N469 V482	H441-E456 WeakPolarHBondContact CA-OE2 3.46Å; H441-E456 IonicContact CE1-OE1 2.79Å; H441-E456 IonicContact CG-OE2 2.6Å; H441-E456 VanDerWaalsContact ND1-CD 3.32Å; H441-E456 IonicContact ND1-OE1 2.75Å; H441-E456 PolarHBondContact ND1-OE1 3.26Å; H441-E456 IonicContact ND1-OE2 2.65Å; H441-E456 PolarHBondContact ND1-OE2 3.02Å; H444-E456 HydrophobicContact CB-CB 4.17Å; H444-E456 HydrophobicContact CB-CG 4.49Å; H444-E456 VanDerWaalsContact CE1-CB 3.42Å; H444-E456 WeakPolarHBondContact CE1-CB 3.33Å; H444-E456 PolarHBondContact CE1-N 3.38Å; E456-H458 IonicContact OE1-NE2 2.74Å; E456-H458 PolarHBondContact OE1-NE2 3.28Å; E456-H458 IonicContact OE2-CD2 3.21Å; E456-H458 PolarHBondContact OE2-CD2 1.97Å; E456-H458 IonicContact OE2-NE2 3Å; E456-H458 PolarHBondContact OE2-NE2 2.99Å; E456-L461 HydrophobicContact CG-CD1 4.07Å; E456-L461 HydrophobicContact CG-CD2 4.45Å; E456-L461 WeakPolarHBondContact O-CD1 3.12Å; E456-N469 PolarHBondContact N-ND2 3.3Å; E456-N469 PolarHBondContact O-ND2 2.93Å; E456-V482 CarbonylContact C-O 3.57Å; E456-V482 WeakPolarHBondContact CA-O 3.11Å
457	L	88.1	Confident	85.1	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	92.8	-177.5	-170.7	70.2	0	0	0	111.4	R466 L470 L481 V482 A483 T484 A487 A488 L491	L457-R466 HydrophobicContact CD1-CB 3.95Å; L457-R466 HydrophobicContact CD1-CG 4.01Å; L457-L470 HydrophobicContact CD1-CD1 4.16Å; L457-L470 HydrophobicContact CD1-CG 4.19Å; L457-L470 HydrophobicContact CD2-CD2 4.14Å; L457-L481 HydrophobicContact CB-CD1 4.17Å; L457-L481 HydrophobicContact CD2-CD2 4.32Å; L457-V482 PolarHBondContact N-O 3.35Å; L457-A483 HydrophobicContact CB-CB 3.97Å; L457-A483 HydrophobicContact CD2-CB 4.18Å; L457-A483 WeakPolarHBondContact O-CA 3.41Å; L457-T484 PolarHBondContact O-N 2.71Å; L457-T484 PolarHBondContact O-OG1 3.39Å; L457-A487 WeakPolarHBondContact CD2-O 3.27Å; L457-A487 HydrophobicContact CG-CB 4.1Å; L457-A487 WeakPolarHBondContact O-CB 3.35Å; L457-A488 HydrophobicContact CD2-CB 4.47Å; L457-L491 HydrophobicContact CD2-CD1 3.75Å
458	H	87.3	Confident	84.7	Confident	8 Å²	8	35.1 Å²	35.1	4%	0.037	20%	0.196	C	C	.	.			trans	-143.6	158.7	176.1	60.2	88.7	0	0	0	112.4	R437 H441 E456 E460 L461 T484	R437-H458 HydrophobicContact CB-CB 4.26Å; R437-H458 HydrophobicContact CG-CB 4.12Å; H441-H458 AromaticContact CG-NE2 3.97Å; H441-H458 AromaticContact ND1-NE2 3.39Å; H441-H458 PolarHBondContact ND1-NE2 3.07Å; E456-H458 IonicContact OE1-NE2 2.74Å; E456-H458 PolarHBondContact OE1-NE2 3.28Å; E456-H458 IonicContact OE2-CD2 3.21Å; E456-H458 PolarHBondContact OE2-CD2 1.97Å; E456-H458 IonicContact OE2-NE2 3Å; E456-H458 PolarHBondContact OE2-NE2 2.99Å; H458-E460 VanDerWaalsContact CE1-CB 3.46Å; H458-E460 WeakPolarHBondContact CE1-CB 3.4Å; H458-E460 PolarHBondContact O-N 2.87Å; H458-L461 PolarHBondContact O-N 3.34Å; H458-T484 WeakPolarHBondContact CA-OG1 3.45Å; H458-T484 HydrophobicContact CB-CG2 3.91Å
459	G	78.1	Confident	84.4	Confident	35 Å²	35	35.4 Å²	35.4	36%	0.361	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	27.8	-173.3	0	0	0	0	0	116	R437	R437-G459 VanDerWaalsContact NH1-C 3.32Å; R437-G459 PolarHBondContact NH1-O 3.26Å
460	E	81.4	Confident	84.1	Confident	103 Å²	103	36.1 Å²	36.1	48%	0.481	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-26.7	167.3	-168.5	178.7	139.5	0	0	111.8	H458 R585	H458-E460 VanDerWaalsContact CE1-CB 3.46Å; H458-E460 WeakPolarHBondContact CE1-CB 3.4Å; H458-E460 PolarHBondContact O-N 2.87Å; E460-R585 IonicContact OE1-CZ 2.68Å; E460-R585 IonicContact OE1-NE 3.76Å; E460-R585 IonicContact OE1-NH2 3.66Å; E460-R585 PolarHBondContact OE1-NH2 3.39Å
461	L	81	Confident	83.8	Confident	22 Å²	22	37.5 Å²	37.5	12%	0.115	20%	0.201	C	C	.	.	S	Bend	trans	-56.5	144.5	168.9	-66.6	168.1	0	0	0	111.4	E456 H458 Q465 R466	E456-L461 HydrophobicContact CG-CD1 4.07Å; E456-L461 HydrophobicContact CG-CD2 4.45Å; E456-L461 WeakPolarHBondContact O-CD1 3.12Å; H458-L461 PolarHBondContact O-N 3.34Å; L461-Q465 HydrophobicContact CB-CB 4.29Å; L461-Q465 HydrophobicContact CD2-CB 4.27Å; L461-R466 HydrophobicContact CB-CG 3.63Å; L461-R466 HydrophobicContact CD1-CG 4.11Å
462	S	79.9	Confident	83.8	Confident	52 Å²	52	38.6 Å²	38.6	36%	0.364	19%	0.193	S	C	.	.			trans	-62.1	157	170.3	69.3	0	0	0	0	111.4	N464 Q465 R466	S462-N464 PolarHBondContact O-N 2.77Å; S462-Q465 VanDerWaalsContact CB-OE1 3.3Å; S462-Q465 PolarHBondContact O-N 2.87Å; S462-Q465 VanDerWaalsContact OG-CD 3.28Å; S462-Q465 WeakPolarHBondContact OG-CG 3.41Å; S462-Q465 PolarHBondContact OG-N 3.19Å; S462-Q465 PolarHBondContact OG-OE1 2.77Å; S462-R466 PolarHBondContact O-N 3.39Å
463	Q	71.6	Confident	83.7	Confident	9 Å²	9	36.7 Å²	36.7	4%	0.042	18%	0.183	C	C	.	.	H	α-helix	trans	-56	-41.1	178.9	-162.4	65.2	34	0	0	111.5	E264 R466 L467	E264-Q463 PolarHBondContact OE1-NE2 3.04Å; Q463-R466 PolarHBondContact O-N 2.93Å; Q463-L467 HydrophobicContact CG-CD1 4.25Å; Q463-L467 WeakPolarHBondContact O-CG 3.47Å; Q463-L467 PolarHBondContact O-N 3.48Å
464	N	76.6	Confident	83.3	Confident	61 Å²	61	36.8 Å²	36.8	33%	0.326	18%	0.184	S	C	.	.	H	α-helix	trans	-62.2	-47.4	178.8	-57.4	23.2	0	0	0	111.3	S462 R466 L467 E468	S462-N464 PolarHBondContact O-N 2.77Å; N464-R466 VanDerWaalsContact C-N 3.33Å; N464-R466 PolarHBondContact O-N 3.49Å; N464-L467 PolarHBondContact O-N 3.28Å; N464-E468 WeakPolarHBondContact O-CB 3.38Å; N464-E468 PolarHBondContact O-N 3.18Å
465	Q	82.1	Confident	83	Confident	98 Å²	98	38.9 Å²	38.9	46%	0.458	19%	0.194	S	C	.	.	H	α-helix	trans	-62.9	-38	177.2	-73.5	160.4	-48.8	0	0	112.2	L461 S462 N469	L461-Q465 HydrophobicContact CB-CB 4.29Å; L461-Q465 HydrophobicContact CD2-CB 4.27Å; S462-Q465 VanDerWaalsContact CB-OE1 3.3Å; S462-Q465 PolarHBondContact O-N 2.87Å; S462-Q465 VanDerWaalsContact OG-CD 3.28Å; S462-Q465 WeakPolarHBondContact OG-CG 3.41Å; S462-Q465 PolarHBondContact OG-N 3.19Å; S462-Q465 PolarHBondContact OG-OE1 2.77Å; Q465-N469 WeakPolarHBondContact O-CB 3.45Å; Q465-N469 VanDerWaalsContact O-CG 3.22Å; Q465-N469 PolarHBondContact O-N 3.27Å; Q465-N469 PolarHBondContact O-OD1 2.89Å
466	R	81	Confident	82.7	Confident	16 Å²	16	44.8 Å²	44.8	6%	0.06	22%	0.222	C	C	.	.	H	α-helix	trans	-66.2	-43.8	176.5	-67.7	-178.4	63.7	-140.9	-2.7	111.9	E264 L457 L461 S462 Q463 N464 L470 A487	E264-R466 VanDerWaalsContact CD-CZ 3.4Å; E264-R466 IonicContact OE1-CZ 2.76Å; E264-R466 IonicContact OE1-NH1 2.7Å; E264-R466 PolarHBondContact OE1-NH1 2.97Å; E264-R466 IonicContact OE1-NH2 3.66Å; E264-R466 IonicContact OE2-CZ 3.06Å; E264-R466 IonicContact OE2-NH1 2.62Å; E264-R466 PolarHBondContact OE2-NH1 3.21Å; E264-R466 VanDerWaalsContact OE2-NH1 3.1Å; E264-R466 IonicContact OE2-NH2 2.74Å; E264-R466 PolarHBondContact OE2-NH2 3.04Å; L457-R466 HydrophobicContact CD1-CB 3.95Å; L457-R466 HydrophobicContact CD1-CG 4.01Å; L461-R466 HydrophobicContact CB-CG 3.63Å; L461-R466 HydrophobicContact CD1-CG 4.11Å; S462-R466 PolarHBondContact O-N 3.39Å; Q463-R466 PolarHBondContact O-N 2.93Å; N464-R466 VanDerWaalsContact C-N 3.33Å; N464-R466 PolarHBondContact O-N 3.49Å; R466-L470 WeakPolarHBondContact O-CB 3.29Å; R466-L470 WeakPolarHBondContact O-CD1 3.35Å; R466-L470 WeakPolarHBondContact O-CG 3.43Å; R466-L470 PolarHBondContact O-N 2.81Å; R466-L470 VanDerWaalsContact O-N 3.08Å; R466-A487 PolarHBondContact NH2-O 3.44Å
467	L	78.9	Confident	82.4	Confident	6 Å²	6	49.5 Å²	49.5	3%	0.031	24%	0.244	C	C	.	.	H	α-helix	trans	-67.6	-41.2	177	-68.7	170.7	0	0	0	112.1	M68 L75 I267 Q463 N464 L470 R471	M68-L467 HydrophobicContact SD-CD2 4.13Å; L75-L467 HydrophobicContact CD1-CD1 4.33Å; I267-L467 HydrophobicContact CD1-CD1 3.92Å; I267-L467 HydrophobicContact CD1-CD2 3.85Å; I267-L467 HydrophobicContact CD1-CG 4.45Å; Q463-L467 HydrophobicContact CG-CD1 4.25Å; Q463-L467 WeakPolarHBondContact O-CG 3.47Å; Q463-L467 PolarHBondContact O-N 3.48Å; N464-L467 PolarHBondContact O-N 3.28Å; L467-L470 PolarHBondContact O-N 2.96Å; L467-R471 WeakPolarHBondContact O-CB 3.45Å; L467-R471 PolarHBondContact O-N 3.35Å
468	E	83.4	Confident	82.5	Confident	65 Å²	65	50 Å²	50	30%	0.304	25%	0.247	S	C	.	.	H	α-helix	trans	-61.6	-48.8	175.3	-179.5	69.2	-175	0	0	111.5	N464 L470 R471 R472	N464-E468 WeakPolarHBondContact O-CB 3.38Å; N464-E468 PolarHBondContact O-N 3.18Å; E468-L470 VanDerWaalsContact C-N 3.31Å; E468-L470 PolarHBondContact O-N 3.13Å; E468-R471 PolarHBondContact O-N 3.3Å; E468-R472 WeakPolarHBondContact O-CB 3.47Å; E468-R472 VanDerWaalsContact O-CG 3.31Å; E468-R472 WeakPolarHBondContact O-CG 3.41Å; E468-R472 PolarHBondContact O-N 2.9Å; E468-R472 IonicContact OE1-CZ 2.78Å; E468-R472 IonicContact OE1-NE 2.74Å; E468-R472 PolarHBondContact OE1-NE 2.62Å; E468-R472 IonicContact OE1-NH2 3.33Å; E468-R472 PolarHBondContact OE1-NH2 3.32Å
469	N	85.4	Confident	82.6	Confident	18 Å²	18	51.2 Å²	51.2	10%	0.096	25%	0.253	C	S	.	.	H	α-helix	trans	-64	-35.3	178.1	-72.5	-0.9	0	0	0	112.3	E456 Q465 F473	E456-N469 PolarHBondContact N-ND2 3.3Å; E456-N469 PolarHBondContact O-ND2 2.93Å; Q465-N469 WeakPolarHBondContact O-CB 3.45Å; Q465-N469 VanDerWaalsContact O-CG 3.22Å; Q465-N469 PolarHBondContact O-N 3.27Å; Q465-N469 PolarHBondContact O-OD1 2.89Å; N469-F473 WeakPolarHBondContact O-CB 3.34Å; N469-F473 PolarHBondContact O-N 2.78Å; N469-F473 VanDerWaalsContact O-N 3.12Å
470	L	82.8	Confident	83.3	Confident	24 Å²	24	49.6 Å²	49.6	13%	0.126	24%	0.237	C	C	.	.	H	α-helix	trans	-69.6	-41.2	174.1	-75.4	164.5	0	0	0	112.2	L457 R466 L467 E468 F473 K474 L481 L491 I493	L457-L470 HydrophobicContact CD1-CD1 4.16Å; L457-L470 HydrophobicContact CD1-CG 4.19Å; L457-L470 HydrophobicContact CD2-CD2 4.14Å; R466-L470 WeakPolarHBondContact O-CB 3.29Å; R466-L470 WeakPolarHBondContact O-CD1 3.35Å; R466-L470 WeakPolarHBondContact O-CG 3.43Å; R466-L470 PolarHBondContact O-N 2.81Å; R466-L470 VanDerWaalsContact O-N 3.08Å; L467-L470 PolarHBondContact O-N 2.96Å; E468-L470 VanDerWaalsContact C-N 3.31Å; E468-L470 PolarHBondContact O-N 3.13Å; L470-F473 PolarHBondContact O-N 3.1Å; L470-K474 PolarHBondContact O-N 3.47Å; L470-L481 HydrophobicContact CD2-CD2 4.03Å; L470-L491 HydrophobicContact CD1-CD1 3.75Å; L470-L491 HydrophobicContact CD1-CD2 3.53Å; L470-L491 HydrophobicContact CD1-CG 4.31Å; L470-L491 HydrophobicContact CD2-CD1 4.04Å; L470-L491 HydrophobicContact CD2-CD2 4.34Å; L470-I493 HydrophobicContact CD2-CD1 3.86Å; L470-I493 HydrophobicContact CD2-CG1 4.2Å
471	R	82.9	Confident	83.8	Confident	68 Å²	68	44.7 Å²	44.7	26%	0.257	21%	0.214	S	C	.	.	H	α-helix	trans	-59.6	-52.6	172.8	179.6	-179.2	175.7	115.4	22.9	110.2	D65 L467 E468 F473 K474 D475	D65-R471 IonicContact OD1-CZ 3.36Å; D65-R471 IonicContact OD1-NH1 3.04Å; D65-R471 IonicContact OD1-NH2 2.8Å; D65-R471 IonicContact OD2-CZ 3.81Å; D65-R471 IonicContact OD2-NH1 3.83Å; D65-R471 PolarHBondContact OD2-NH1 3.02Å; D65-R471 IonicContact OD2-NH2 3.41Å; D65-R471 PolarHBondContact OD2-NH2 3.14Å; L467-R471 WeakPolarHBondContact O-CB 3.45Å; L467-R471 PolarHBondContact O-N 3.35Å; E468-R471 PolarHBondContact O-N 3.3Å; R471-F473 PolarHBondContact O-N 2.88Å; R471-F473 VanDerWaalsContact O-N 3.14Å; R471-K474 CarbonylContact O-C 3.51Å; R471-K474 WeakPolarHBondContact O-CA 3.36Å; R471-K474 WeakPolarHBondContact O-CB 3.46Å; R471-K474 PolarHBondContact O-N 3.47Å; R471-D475 WeakPolarHBondContact CG-OD2 3.21Å; R471-D475 IonicContact CZ-OD2 3.65Å; R471-D475 VanDerWaalsContact CZ-OD2 3.32Å; R471-D475 IonicContact NE-OD2 2.89Å; R471-D475 PolarHBondContact NE-OD2 3.11Å; R471-D475 IonicContact NH2-OD2 3.57Å; R471-D475 PolarHBondContact NH2-OD2 3.48Å; R471-D475 WeakPolarHBondContact O-CB 3.38Å; R471-D475 VanDerWaalsContact O-CG 3.3Å; R471-D475 PolarHBondContact O-N 3.46Å
472	R	86.4	Confident	84.3	Confident	61 Å²	61	43.7 Å²	43.7	23%	0.23	21%	0.208	C	C	.	.	H	α-helix	trans	-58.2	-29.1	178.9	-69.7	177.8	-172.4	-169.5	2.6	113.5	D85 E468 Q477 I478	D85-R472 IonicContact OD2-NH1 3.32Å; E468-R472 WeakPolarHBondContact O-CB 3.47Å; E468-R472 VanDerWaalsContact O-CG 3.31Å; E468-R472 WeakPolarHBondContact O-CG 3.41Å; E468-R472 PolarHBondContact O-N 2.9Å; E468-R472 IonicContact OE1-CZ 2.78Å; E468-R472 IonicContact OE1-NE 2.74Å; E468-R472 PolarHBondContact OE1-NE 2.62Å; E468-R472 IonicContact OE1-NH2 3.33Å; E468-R472 PolarHBondContact OE1-NH2 3.32Å; R472-Q477 HydrophobicContact CB-CB 4.15Å; R472-Q477 CarbonylContact O-C 3.57Å; R472-Q477 WeakPolarHBondContact O-CA 3.27Å; R472-Q477 WeakPolarHBondContact O-CB 3.23Å; R472-Q477 PolarHBondContact O-N 3.39Å; R472-I478 HydrophobicContact CB-CB 4.39Å; R472-I478 HydrophobicContact CB-CD1 3.59Å; R472-I478 HydrophobicContact CB-CG1 3.85Å; R472-I478 HydrophobicContact CG-CD1 4.4Å; R472-I478 PolarHBondContact O-N 2.63Å
473	F	86.3	Confident	84.9	Confident	1 Å²	1	41.2 Å²	41.2	0%	0.004	19%	0.191	C	C	.	.	H	α-helix	trans	-78.6	-29.3	172.8	-174.2	-91.9	0	0	0	113.3	H429 N469 L470 R471 I478 L481 I493 V496	H429-F473 HydrophobicContact CB-CZ 4.23Å; N469-F473 WeakPolarHBondContact O-CB 3.34Å; N469-F473 PolarHBondContact O-N 2.78Å; N469-F473 VanDerWaalsContact O-N 3.12Å; L470-F473 PolarHBondContact O-N 3.1Å; R471-F473 PolarHBondContact O-N 2.88Å; R471-F473 VanDerWaalsContact O-N 3.14Å; F473-I478 HydrophobicContact CD2-CG2 4.32Å; F473-I478 VanDerWaalsContact CD2-O 3.26Å; F473-I478 WeakPolarHBondContact CD2-O 3.41Å; F473-L481 HydrophobicContact CD1-CD2 4.35Å; F473-L481 HydrophobicContact CD2-CB 3.67Å; F473-L481 HydrophobicContact CE2-CB 3.77Å; F473-L481 HydrophobicContact CG-CB 4.18Å; F473-L481 HydrophobicContact CG-CD2 4.25Å; F473-L481 HydrophobicContact CZ-CB 4.38Å; F473-I493 HydrophobicContact CD1-CG2 3.69Å; F473-I493 HydrophobicContact CE1-CG2 3.64Å; F473-V496 HydrophobicContact CE1-CG2 3.82Å; F473-V496 HydrophobicContact CZ-CG2 4.17Å
474	K	83.1	Confident	85.8	Confident	107 Å²	107	41.1 Å²	41.1	47%	0.465	19%	0.191	S	C	.	.	H	α-helix	trans	-73.3	-40.9	170.7	-168.5	-164.1	177.8	-168.4	0	111.5	L470 R471 E476	L470-K474 PolarHBondContact O-N 3.47Å; R471-K474 CarbonylContact O-C 3.51Å; R471-K474 WeakPolarHBondContact O-CA 3.36Å; R471-K474 WeakPolarHBondContact O-CB 3.46Å; R471-K474 PolarHBondContact O-N 3.47Å; K474-E476 PolarHBondContact O-N 2.83Å
475	D	84.4	Confident	85.9	Confident	52 Å²	52	39.3 Å²	39.3	28%	0.278	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	17.5	-176.5	-60.8	13.8	0	0	0	112.4	R471 Q477	R471-D475 WeakPolarHBondContact CG-OD2 3.21Å; R471-D475 IonicContact CZ-OD2 3.65Å; R471-D475 VanDerWaalsContact CZ-OD2 3.32Å; R471-D475 IonicContact NE-OD2 2.89Å; R471-D475 PolarHBondContact NE-OD2 3.11Å; R471-D475 IonicContact NH2-OD2 3.57Å; R471-D475 PolarHBondContact NH2-OD2 3.48Å; R471-D475 WeakPolarHBondContact O-CB 3.38Å; R471-D475 VanDerWaalsContact O-CG 3.3Å; R471-D475 PolarHBondContact O-N 3.46Å; D475-Q477 HydrophobicContact CB-CG 4.17Å; D475-Q477 WeakPolarHBondContact O-CG 3.47Å; D475-Q477 PolarHBondContact O-N 2.71Å
476	E	84.4	Confident	85.2	Confident	124 Å²	124	39.5 Å²	39.5	58%	0.579	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.8	13	-176.6	-46.6	-152	135.7	0	0	116.6	H429 K474	H429-E476 VanDerWaalsContact CE1-CD 3.46Å; H429-E476 IonicContact CE1-OE1 2.71Å; H429-E476 PolarHBondContact CE1-OE1 2.95Å; H429-E476 IonicContact NE2-OE1 3.61Å; K474-E476 PolarHBondContact O-N 2.83Å
477	Q	85.8	Confident	84.4	Confident	110 Å²	110	38.9 Å²	38.9	51%	0.514	19%	0.187	S	C	.	.	S	Bend	trans	-77.4	-20.6	179.5	-56.3	-178.2	13.6	0	0	113.5	K453 R472 D475	K453-Q477 VanDerWaalsContact CD-O 3.25Å; K453-Q477 WeakPolarHBondContact CD-O 3.37Å; R472-Q477 HydrophobicContact CB-CB 4.15Å; R472-Q477 CarbonylContact O-C 3.57Å; R472-Q477 WeakPolarHBondContact O-CA 3.27Å; R472-Q477 WeakPolarHBondContact O-CB 3.23Å; R472-Q477 PolarHBondContact O-N 3.39Å; D475-Q477 HydrophobicContact CB-CG 4.17Å; D475-Q477 WeakPolarHBondContact O-CG 3.47Å; D475-Q477 PolarHBondContact O-N 2.71Å
478	I	88.8	Confident	83.4	Confident	11 Å²	11	38.6 Å²	38.6	6%	0.056	19%	0.186	C	C	.	.			trans	-126.7	120.9	176.9	-71.6	177.8	0	0	0	108.6	G455 R472 F473 I480	G455-I478 VanDerWaalsContact N-CG2 3.27Å; R472-I478 HydrophobicContact CB-CB 4.39Å; R472-I478 HydrophobicContact CB-CD1 3.59Å; R472-I478 HydrophobicContact CB-CG1 3.85Å; R472-I478 HydrophobicContact CG-CD1 4.4Å; R472-I478 PolarHBondContact O-N 2.63Å; F473-I478 HydrophobicContact CD2-CG2 4.32Å; F473-I478 VanDerWaalsContact CD2-O 3.26Å; F473-I478 WeakPolarHBondContact CD2-O 3.41Å; I478-I480 WeakPolarHBondContact CG2-O 3.28Å
479	D	90	Very high	82.6	Confident	32 Å²	32	37.1 Å²	37.1	17%	0.171	18%	0.178	C	C	.	.	S	Bend	trans	-80.5	-27.2	-175.9	-54	-49.1	0	0	0	112.5	Q427 H429 V430 K453	Q427-D479 WeakPolarHBondContact O-CB 3.46Å; H429-D479 CarbonylContact C-O 3.58Å; H429-D479 VanDerWaalsContact CA-O 3.26Å; H429-D479 WeakPolarHBondContact CA-O 3.25Å; H429-D479 PolarHBondContact N-O 3.27Å; V430-D479 PolarHBondContact N-O 3.48Å; K453-D479 HydrophobicContact CB-CB 4.48Å; K453-D479 VanDerWaalsContact CB-OD2 3.28Å; K453-D479 WeakPolarHBondContact CB-OD2 3.25Å; K453-D479 WeakPolarHBondContact CD-OD2 3.15Å; K453-D479 WeakPolarHBondContact CE-OD2 3.36Å; K453-D479 WeakPolarHBondContact CG-OD2 3.29Å; K453-D479 IonicContact NZ-OD1 2.73Å; K453-D479 PolarHBondContact NZ-OD1 3.12Å; K453-D479 IonicContact NZ-OD2 3.44Å; K453-D479 PolarHBondContact NZ-OD2 3.36Å; K453-D479 PolarHBondContact O-N 3.18Å; K453-D479 VanDerWaalsContact O-N 3.08Å
480	I	92.4	Very high	81.2	Confident	2 Å²	2	36.5 Å²	36.5	1%	0.01	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	120.9	-168.4	-53.4	169.5	0	0	0	110.7	L422 V430 V432 L452 K453 V454 G455 I478 V482	L422-I480 HydrophobicContact CB-CD1 4.18Å; L422-I480 HydrophobicContact CD1-CD1 4.09Å; L422-I480 HydrophobicContact CD1-CG2 4.36Å; L422-I480 HydrophobicContact CD2-CD1 3.92Å; L422-I480 HydrophobicContact CD2-CG1 4.22Å; L422-I480 HydrophobicContact CD2-CG2 4.25Å; L422-I480 HydrophobicContact CG-CD1 4.27Å; V430-I480 HydrophobicContact CB-CG1 4.46Å; V430-I480 CarbonylContact O-C 3.58Å; V430-I480 WeakPolarHBondContact O-CA 3.43Å; V432-I480 HydrophobicContact CG2-CG2 3.85Å; L452-I480 HydrophobicContact CB-CD1 3.71Å; L452-I480 HydrophobicContact CD1-CD1 3.73Å; L452-I480 HydrophobicContact CG-CD1 4.21Å; K453-I480 PolarHBondContact O-N 3.32Å; K453-I480 VanDerWaalsContact O-N 3.1Å; V454-I480 CarbonylContact C-O 3.59Å; V454-I480 VanDerWaalsContact CA-O 3.31Å; V454-I480 WeakPolarHBondContact CA-O 3.42Å; V454-I480 HydrophobicContact CG1-CB 4.41Å; V454-I480 HydrophobicContact CG1-CG2 4.36Å; V454-I480 WeakPolarHBondContact CG1-O 3.28Å; V454-I480 HydrophobicContact CG2-CB 4.13Å; V454-I480 HydrophobicContact CG2-CD1 4.25Å; G455-I480 PolarHBondContact N-O 3.03Å; I478-I480 WeakPolarHBondContact CG2-O 3.28Å; I480-V482 HydrophobicContact CG2-CG2 4.44Å
481	L	91.8	Very high	80.5	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	105.2	178	-172.4	64	0	0	0	110.8	V430 M431 V432 L457 L470 F473 I493	V430-L481 PolarHBondContact O-N 2.78Å; M431-L481 WeakPolarHBondContact CA-O 3.42Å; M431-L481 HydrophobicContact CE-CD2 4.24Å; V432-L481 PolarHBondContact N-O 3.02Å; L457-L481 HydrophobicContact CB-CD1 4.17Å; L457-L481 HydrophobicContact CD2-CD2 4.32Å; L470-L481 HydrophobicContact CD2-CD2 4.03Å; F473-L481 HydrophobicContact CD1-CD2 4.35Å; F473-L481 HydrophobicContact CD2-CB 3.67Å; F473-L481 HydrophobicContact CE2-CB 3.77Å; F473-L481 HydrophobicContact CG-CB 4.18Å; F473-L481 HydrophobicContact CG-CD2 4.25Å; F473-L481 HydrophobicContact CZ-CB 4.38Å; L481-I493 HydrophobicContact CD2-CD1 4.04Å
482	V	93.2	Very high	79.7	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	113.7	176.1	-177.5	0	0	0	0	109.5	V432 T434 A440 L443 L447 V454 G455 E456 L457 I480	V432-V482 HydrophobicContact CB-CG2 4.28Å; V432-V482 CarbonylContact O-C 3.54Å; V432-V482 WeakPolarHBondContact O-CA 3.34Å; T434-V482 HydrophobicContact CG2-CG1 4.11Å; A440-V482 HydrophobicContact CB-CG1 3.99Å; L443-V482 HydrophobicContact CB-CG1 4.31Å; L443-V482 HydrophobicContact CD2-CG1 4.03Å; L443-V482 HydrophobicContact CD2-CG2 4.24Å; L443-V482 HydrophobicContact CG-CG1 4.47Å; L443-V482 HydrophobicContact CG-CG2 4.31Å; L447-V482 HydrophobicContact CD1-CG2 4.24Å; V454-V482 HydrophobicContact CG1-CG2 3.64Å; G455-V482 PolarHBondContact O-N 2.85Å; E456-V482 CarbonylContact C-O 3.57Å; E456-V482 WeakPolarHBondContact CA-O 3.11Å; L457-V482 PolarHBondContact N-O 3.35Å; I480-V482 HydrophobicContact CG2-CG2 4.44Å
483	A	91.8	Very high	79.1	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	151.3	-170.3	0	0	0	0	0	113.6	M431 V432 F433 T434 L457 A488	M431-A483 HydrophobicContact CE-CB 3.67Å; V432-A483 PolarHBondContact O-N 3.39Å; F433-A483 WeakPolarHBondContact CA-O 3.34Å; T434-A483 PolarHBondContact N-O 2.82Å; T434-A483 PolarHBondContact OG1-O 3.36Å; L457-A483 HydrophobicContact CB-CB 3.97Å; L457-A483 HydrophobicContact CD2-CB 4.18Å; L457-A483 WeakPolarHBondContact O-CA 3.41Å; A483-A488 HydrophobicContact CB-CB 3.98Å
484	T	90.1	Very high	78.3	Confident	7 Å²	7	37.7 Å²	37.7	4%	0.043	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	147.9	167.9	53.9	0	0	0	0	110.7	R437 A440 L457 H458 V486 A487 A488	R437-T484 HydrophobicContact CG-CG2 4.38Å; A440-T484 HydrophobicContact CB-CG2 4Å; L457-T484 PolarHBondContact O-N 2.71Å; L457-T484 PolarHBondContact O-OG1 3.39Å; H458-T484 WeakPolarHBondContact CA-OG1 3.45Å; H458-T484 HydrophobicContact CB-CG2 3.91Å; T484-V486 PolarHBondContact O-N 2.72Å; T484-V486 VanDerWaalsContact O-N 3.11Å; T484-A487 PolarHBondContact O-N 3.46Å; T484-A488 PolarHBondContact O-N 2.79Å; T484-A488 VanDerWaalsContact O-N 3.12Å
485	D	78.4	Confident	78	Confident	23 Å²	23	34.3 Å²	34.3	12%	0.123	19%	0.187	C	C	.	.	H	α-helix	trans	-42.4	-48.6	178.3	-108.5	-60.7	0	0	0	113.5	A487 R489 R514	D485-A487 PolarHBondContact O-N 3.26Å; D485-R489 WeakPolarHBondContact O-CD 3.49Å; D485-R489 WeakPolarHBondContact O-CG 3.49Å; D485-R489 PolarHBondContact O-N 2.84Å; D485-R489 PolarHBondContact O-NE 3Å; D485-R489 IonicContact OD1-CZ 3.52Å; D485-R489 IonicContact OD1-NE 3.51Å; D485-R489 PolarHBondContact OD1-NE 3.42Å; D485-R489 IonicContact OD1-NH2 2.76Å; D485-R489 PolarHBondContact OD1-NH2 2.99Å; D485-R489 IonicContact OD2-NH2 3.59Å; D485-R514 IonicContact OD1-NE 3.21Å; D485-R514 IonicContact OD2-CZ 3.22Å; D485-R514 VanDerWaalsContact OD2-CZ 3.31Å; D485-R514 IonicContact OD2-NE 2.62Å; D485-R514 PolarHBondContact OD2-NE 3.36Å; D485-R514 VanDerWaalsContact OD2-NE 3.14Å; D485-R514 IonicContact OD2-NH2 2.94Å; D485-R514 PolarHBondContact OD2-NH2 3.21Å
486	V	68	Low	78.2	Confident	103 Å²	103	32.2 Å²	32.2	62%	0.624	18%	0.176	S	C	*	.	H	α-helix	trans	-66	-38.2	-176.2	-179.4	0	0	0	0	112.2	T484	T484-V486 PolarHBondContact O-N 2.72Å; T484-V486 VanDerWaalsContact O-N 3.11Å
487	A	63.3	Low	78.5	Confident	2 Å²	2	31 Å²	31	2%	0.017	17%	0.168	C	C	.	.	H	α-helix	trans	-90.7	-13.2	-172	0	0	0	0	0	114.1	L457 R466 T484 D485 L491	L457-A487 WeakPolarHBondContact CD2-O 3.27Å; L457-A487 HydrophobicContact CG-CB 4.1Å; L457-A487 WeakPolarHBondContact O-CB 3.35Å; R466-A487 PolarHBondContact NH2-O 3.44Å; T484-A487 PolarHBondContact O-N 3.46Å; D485-A487 PolarHBondContact O-N 3.26Å; A487-L491 VanDerWaalsContact O-CD1 3.28Å; A487-L491 WeakPolarHBondContact O-CD1 3.29Å
488	A	59.1	Low	78.7	Confident	1 Å²	1	26.1 Å²	26.1	1%	0.008	15%	0.146	C	C	.	.	H	α-helix	trans	-97.7	-12.2	175.2	0	0	0	0	0	114.1	M431 F433 L457 A483 T484	M431-A488 HydrophobicContact CE-CB 3.45Å; M431-A488 VanDerWaalsContact CE-CB 3.45Å; F433-A488 HydrophobicContact CE1-CB 3.54Å; F433-A488 HydrophobicContact CZ-CB 3.93Å; L457-A488 HydrophobicContact CD2-CB 4.47Å; A483-A488 HydrophobicContact CB-CB 3.98Å; T484-A488 PolarHBondContact O-N 2.79Å; T484-A488 VanDerWaalsContact O-N 3.12Å
489	R	66.6	Low	78.9	Confident	34 Å²	34	25.6 Å²	25.6	13%	0.128	14%	0.144	C	C	.	.	S	Bend	trans	-72	139.8	176.1	-81.2	162.2	-161.9	-159.8	1	110.6	D485 L491 H510	D485-R489 WeakPolarHBondContact O-CD 3.49Å; D485-R489 WeakPolarHBondContact O-CG 3.49Å; D485-R489 PolarHBondContact O-N 2.84Å; D485-R489 PolarHBondContact O-NE 3Å; D485-R489 IonicContact OD1-CZ 3.52Å; D485-R489 IonicContact OD1-NE 3.51Å; D485-R489 PolarHBondContact OD1-NE 3.42Å; D485-R489 IonicContact OD1-NH2 2.76Å; D485-R489 PolarHBondContact OD1-NH2 2.99Å; D485-R489 IonicContact OD2-NH2 3.59Å; R489-L491 PolarHBondContact O-N 3.02Å; R489-H510 PolarHBondContact NH1-CE1 3.47Å; R489-H510 PolarHBondContact NH2-CD2 2.94Å; R489-H510 PolarHBondContact NH2-CE1 3.33Å; R489-H510 VanDerWaalsContact NH2-CE1 3.29Å; R489-H510 VanDerWaalsContact NH2-CG 3.26Å; R489-H510 PolarHBondContact NH2-ND1 2.85Å; R489-H510 PolarHBondContact NH2-NE2 3.17Å
490	G	56.3	Low	79.1	Confident	5 Å²	5	24 Å²	24	5%	0.052	14%	0.135	C	C	.	.	S	Bend	trans	82.1	-18.5	178.5	0	0	0	0	0	114.7	Q268 E336 D492	Q268-G490 PolarHBondContact OE1-O 2.97Å; E336-G490 WeakPolarHBondContact OE2-CA 3.39Å; G490-D492 PolarHBondContact O-N 3.41Å
491	L	66.7	Low	79.2	Confident	6 Å²	6	24 Å²	24	3%	0.031	14%	0.135	C	C	.	.			trans	-73.9	119.8	176.8	-82	160.5	0	0	0	112.5	E264 L457 L470 A487 R489 I493 R517	E264-L491 HydrophobicContact CB-CD1 4.49Å; E264-L491 HydrophobicContact CB-CD2 3.61Å; E264-L491 HydrophobicContact CB-CG 3.81Å; E264-L491 HydrophobicContact CG-CD1 4.32Å; E264-L491 HydrophobicContact CG-CD2 4.02Å; E264-L491 HydrophobicContact CG-CG 4.17Å; L457-L491 HydrophobicContact CD2-CD1 3.75Å; L470-L491 HydrophobicContact CD1-CD1 3.75Å; L470-L491 HydrophobicContact CD1-CD2 3.53Å; L470-L491 HydrophobicContact CD1-CG 4.31Å; L470-L491 HydrophobicContact CD2-CD1 4.04Å; L470-L491 HydrophobicContact CD2-CD2 4.34Å; A487-L491 VanDerWaalsContact O-CD1 3.28Å; A487-L491 WeakPolarHBondContact O-CD1 3.29Å; R489-L491 PolarHBondContact O-N 3.02Å; L491-I493 HydrophobicContact CB-CD1 4.07Å; L491-I493 HydrophobicContact CB-CG1 3.8Å; L491-I493 HydrophobicContact CD1-CD1 4.42Å; L491-R517 PolarHBondContact O-NH1 3.36Å
492	D	66.3	Low	79.3	Confident	64 Å²	64	24.4 Å²	24.4	34%	0.342	14%	0.137	S	C	.	.			trans	-65.6	131.8	149.3	-124.4	-46.3	0	0	0	109.4	Q268 G490 R520	Q268-D492 PolarHBondContact NE2-O 3.32Å; G490-D492 PolarHBondContact O-N 3.41Å; D492-R520 IonicContact OD1-CZ 3.11Å; D492-R520 IonicContact OD1-NH1 3.89Å; D492-R520 PolarHBondContact OD1-NH1 3.07Å
493	I	74.8	Confident	79.1	Confident	12 Å²	12	25 Å²	25	6%	0.062	14%	0.141	C	C	.	.			trans	-143.3	101.1	178.7	-51.2	-179.3	0	0	0	104.8	M431 L470 F473 L481 L491 V496	M431-I493 HydrophobicContact CE-CD1 3.64Å; M431-I493 HydrophobicContact SD-CD1 4.09Å; L470-I493 HydrophobicContact CD2-CD1 3.86Å; L470-I493 HydrophobicContact CD2-CG1 4.2Å; F473-I493 HydrophobicContact CD1-CG2 3.69Å; F473-I493 HydrophobicContact CE1-CG2 3.64Å; L481-I493 HydrophobicContact CD2-CD1 4.04Å; L491-I493 HydrophobicContact CB-CD1 4.07Å; L491-I493 HydrophobicContact CB-CG1 3.8Å; L491-I493 HydrophobicContact CD1-CD1 4.42Å; I493-V496 HydrophobicContact CB-CG2 4.14Å; I493-V496 HydrophobicContact CG2-CG2 3.73Å
494	D	69.9	Low	78.9	Confident	97 Å²	97	25.6 Å²	25.6	52%	0.519	14%	0.144	S	C	.	.			trans	-70.1	170.9	177	-70.3	-69.2	0	0	0	111.8	V496	D494-V496 PolarHBondContact O-N 3Å
495	G	76.4	Confident	78.8	Confident	35 Å²	35	25.5 Å²	25.5	36%	0.361	14%	0.143	S	C	.	.			trans	74.3	-18.8	172.6	0	0	0	0	0	116.7	K497	G495-K497 WeakPolarHBondContact O-CG 3.38Å; G495-K497 PolarHBondContact O-N 3.06Å
496	V	88.3	Confident	78.9	Confident	9 Å²	9	29.1 Å²	29.1	6%	0.055	17%	0.17	C	C	.	.			trans	-54.4	101.3	-174.8	-175.3	0	0	0	0	112.3	M431 F473 I493 D494 V499 T518	M431-V496 HydrophobicContact CB-CG1 3.9Å; F473-V496 HydrophobicContact CE1-CG2 3.82Å; F473-V496 HydrophobicContact CZ-CG2 4.17Å; I493-V496 HydrophobicContact CB-CG2 4.14Å; I493-V496 HydrophobicContact CG2-CG2 3.73Å; D494-V496 PolarHBondContact O-N 3Å; V496-V499 HydrophobicContact CG1-CG2 3.93Å; V496-T518 WeakPolarHBondContact O-CB 3.41Å; V496-T518 PolarHBondContact O-OG1 3.41Å
497	K	89.6	Confident	79.6	Confident	97 Å²	97	26.9 Å²	26.9	42%	0.422	16%	0.157	S	C	.	.			trans	-78	-36.3	-178.8	-60.5	-179	-160.2	-178.8	0	111.5	D428 H429 G495 T518 R526	D428-K497 HydrophobicContact CB-CD 3.72Å; D428-K497 IonicContact OD2-NZ 2.9Å; D428-K497 PolarHBondContact OD2-NZ 2.81Å; H429-K497 HydrophobicContact CB-CB 4.37Å; H429-K497 HydrophobicContact CB-CD 4.33Å; H429-K497 HydrophobicContact CB-CG 3.98Å; H429-K497 PolarHBondContact O-N 3.43Å; G495-K497 WeakPolarHBondContact O-CG 3.38Å; G495-K497 PolarHBondContact O-N 3.06Å; K497-T518 PolarHBondContact O-OG1 3.06Å; K497-R526 PolarHBondContact O-N 2.86Å
498	T	91.6	Very high	80.4	Confident	8 Å²	8	28.3 Å²	28.3	5%	0.049	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	138.5	-176	-54.4	0	0	0	0	112.4	F426 H429 V430 M431 I500 R526	F426-T498 HydrophobicContact CD1-CG2 3.64Å; F426-T498 VanDerWaalsContact CD1-OG1 3.23Å; F426-T498 WeakPolarHBondContact CD1-OG1 3.18Å; F426-T498 HydrophobicContact CD2-CG2 4.35Å; F426-T498 HydrophobicContact CE1-CG2 3.71Å; F426-T498 HydrophobicContact CE2-CG2 4.42Å; F426-T498 HydrophobicContact CG-CG2 3.94Å; F426-T498 HydrophobicContact CZ-CG2 4.09Å; H429-T498 PolarHBondContact O-N 3.14Å; V430-T498 WeakPolarHBondContact CA-O 3.26Å; V430-T498 HydrophobicContact CG1-CG2 4.28Å; M431-T498 PolarHBondContact N-O 2.75Å; T498-I500 HydrophobicContact CG2-CG1 4.16Å; T498-R526 CarbonylContact C-O 3.58Å; T498-R526 WeakPolarHBondContact CA-O 3.39Å; T498-R526 HydrophobicContact CG2-CB 4.4Å
499	V	93	Very high	81.3	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	122.8	170.5	175	0	0	0	0	110.1	M431 F433 V496 R517 T518 R526 S527 V528	M431-V499 CarbonylContact O-C 3.51Å; M431-V499 WeakPolarHBondContact O-CA 3.33Å; F433-V499 HydrophobicContact CD2-CG1 3.77Å; F433-V499 HydrophobicContact CE2-CG1 3.88Å; V496-V499 HydrophobicContact CG1-CG2 3.93Å; V499-R517 HydrophobicContact CG2-CB 4.05Å; V499-T518 HydrophobicContact CB-CG2 4.4Å; V499-T518 HydrophobicContact CG2-CG2 3.78Å; V499-R526 PolarHBondContact N-O 3.32Å; V499-S527 CarbonylContact O-C 3.55Å; V499-S527 VanDerWaalsContact O-CA 3.25Å; V499-S527 WeakPolarHBondContact O-CA 3.41Å; V499-V528 PolarHBondContact O-N 3.44Å
500	I	94.6	Very high	81.9	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	123.6	175.4	-57.8	-176.6	0	0	0	109.8	V418 L421 L422 F426 V430 M431 V432 F433 T498 V528	V418-I500 HydrophobicContact CG2-CG2 4.14Å; L421-I500 HydrophobicContact CB-CD1 4.41Å; L422-I500 HydrophobicContact CD2-CD1 3.81Å; L422-I500 HydrophobicContact CG-CD1 4.27Å; F426-I500 HydrophobicContact CD2-CD1 4.4Å; V430-I500 HydrophobicContact CG1-CD1 3.72Å; V430-I500 HydrophobicContact CG1-CG1 3.79Å; M431-I500 PolarHBondContact O-N 3.37Å; V432-I500 CarbonylContact C-O 3.57Å; V432-I500 WeakPolarHBondContact CA-O 3.48Å; V432-I500 HydrophobicContact CG1-CB 4.36Å; V432-I500 HydrophobicContact CG1-CG2 4.39Å; V432-I500 HydrophobicContact CG2-CB 4.3Å; F433-I500 PolarHBondContact N-O 2.69Å; T498-I500 HydrophobicContact CG2-CG1 4.16Å; I500-V528 CarbonylContact C-O 3.45Å; I500-V528 VanDerWaalsContact CA-O 3.29Å; I500-V528 WeakPolarHBondContact CA-O 3.43Å; I500-V528 HydrophobicContact CG1-CB 4.47Å
501	N	94.5	Very high	83.2	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	109.7	168	-64.7	-67.2	0	0	0	109.3	R514 V528 S529 L530	N501-R514 WeakPolarHBondContact OD1-CD 3.44Å; N501-R514 PolarHBondContact OD1-NH1 3.48Å; N501-V528 PolarHBondContact N-O 3.05Å; N501-S529 PolarHBondContact ND2-OG 2.79Å; N501-L530 WeakPolarHBondContact O-CB 3.36Å; N501-L530 PolarHBondContact O-N 2.85Å
502	F	93	Very high	83.9	Confident	10 Å²	10	33.3 Å²	33.3	4%	0.044	19%	0.188	C	C	.	.	S	Bend	trans	-72.3	-35.6	173.5	178.6	-88.3	0	0	0	111.9	R414 E415 V418 V432 F433 T434 L443	R414-F502 HydrophobicContact CB-CD2 4.33Å; R414-F502 HydrophobicContact CB-CE1 4.37Å; R414-F502 HydrophobicContact CB-CE2 3.68Å; R414-F502 HydrophobicContact CB-CZ 3.7Å; R414-F502 PolarHBondContact NH1-O 3.27Å; E415-F502 HydrophobicContact CG-CE2 3.85Å; E415-F502 HydrophobicContact CG-CZ 3.9Å; V418-F502 HydrophobicContact CG2-CD2 3.8Å; V432-F502 HydrophobicContact CG1-CB 4.4Å; F433-F502 WeakPolarHBondContact O-CB 3.49Å; F433-F502 PolarHBondContact O-N 3.27Å; T434-F502 HydrophobicContact CG2-CB 4.13Å; T434-F502 HydrophobicContact CG2-CD1 4.3Å; T434-F502 HydrophobicContact CG2-CG 4.26Å; L443-F502 HydrophobicContact CD2-CD2 4.32Å
503	T	88.6	Confident	84.5	Confident	13 Å²	13	31.4 Å²	31.4	8%	0.08	18%	0.177	C	C	.	.	S	Bend	trans	-127.6	134.7	170.7	-43.9	0	0	0	0	107.7	Q435 R514 E535	Q435-T503 HydrophobicContact CB-CG2 4.29Å; T503-R514 PolarHBondContact O-NH1 3.02Å; T503-E535 WeakPolarHBondContact CA-OE1 3.43Å; T503-E535 VanDerWaalsContact CG2-OE1 3.22Å; T503-E535 WeakPolarHBondContact CG2-OE1 3.37Å
504	M	88.8	Confident	85	Confident	12 Å²	12	31 Å²	31	6%	0.059	18%	0.175	C	C	.	.			trans	-63.6	139.8	172.6	-79	-68.6	-75.2	0	0	110.1	Y511 V531 E535 T538 V542	M504-Y511 HydrophobicContact CE-CD2 3.87Å; M504-Y511 HydrophobicContact CE-CE2 4.04Å; M504-Y511 HydrophobicContact SD-CD2 4.16Å; M504-Y511 HydrophobicContact SD-CE2 4.08Å; M504-V531 HydrophobicContact CG-CG2 3.98Å; M504-V531 HydrophobicContact SD-CG2 4.31Å; M504-E535 HydrophobicContact CB-CB 3.9Å; M504-E535 HydrophobicContact CB-CG 3.84Å; M504-E535 HydrophobicContact CG-CB 4.06Å; M504-E535 HydrophobicContact CG-CG 4.39Å; M504-E535 PolarHBondContact N-OE1 2.92Å; M504-T538 HydrophobicContact CE-CG2 4Å; M504-V542 HydrophobicContact CE-CG2 4.15Å
505	P	86.5	Confident	85.7	Confident	4 Å²	4	26.4 Å²	26.4	3%	0.026	15%	0.15	C	C	.	.			trans	-69	157.8	175.6	28.3	-31.6	0	0	0	111.2	T507 H510 Y511 T538	P505-T507 PolarHBondContact O-N 3.25Å; P505-H510 HydrophobicContact CB-CB 3.69Å; P505-H510 HydrophobicContact CG-CB 4.36Å; P505-Y511 HydrophobicContact CG-CD2 4.2Å; P505-T538 WeakPolarHBondContact O-CG2 3.4Å
506	S	81.5	Confident	85.8	Confident	99 Å²	99	25.8 Å²	25.8	69%	0.692	14%	0.144	S	C	*	.	S	Bend	trans	-69.5	-14.3	-179.8	53.4	0	0	0	0	114.9
507	T	81.9	Confident	85.5	Confident	56 Å²	56	25.7 Å²	25.7	34%	0.344	14%	0.143	S	C	.	.	S	Bend	trans	-142.8	149.8	-179.1	69.9	0	0	0	0	112.2	P505 K509 H510 Y511	P505-T507 PolarHBondContact O-N 3.25Å; T507-K509 VanDerWaalsContact C-N 3.28Å; T507-K509 PolarHBondContact O-N 2.99Å; T507-H510 PolarHBondContact O-N 3.44Å; T507-H510 VanDerWaalsContact O-N 3.14Å; T507-H510 VanDerWaalsContact OG1-CG 3.27Å; T507-H510 PolarHBondContact OG1-N 2.88Å; T507-Y511 PolarHBondContact O-N 3.21Å
508	T	81.3	Confident	85.1	Confident	32 Å²	32	21.3 Å²	21.3	20%	0.196	12%	0.124	C	C	.	.	H	α-helix	trans	-61.1	-34.1	174.6	-45.6	0	0	0	0	112.3	H510 Y511 V512 V542	T508-H510 VanDerWaalsContact C-N 3.35Å; T508-H510 PolarHBondContact O-N 3.42Å; T508-Y511 WeakPolarHBondContact O-CB 3.4Å; T508-Y511 PolarHBondContact O-N 3.27Å; T508-Y511 VanDerWaalsContact O-N 3.16Å; T508-V512 WeakPolarHBondContact O-CG2 3.37Å; T508-V512 PolarHBondContact O-N 3.06Å; T508-V542 HydrophobicContact CG2-CG2 4.18Å
509	K	76.3	Confident	84.3	Confident	81 Å²	81	21.5 Å²	21.5	35%	0.352	13%	0.127	S	C	.	.	H	α-helix	trans	-56.2	-47.9	171.8	-74.7	-170.3	172.6	-167.2	0	111.6	T368 T507 Y511 V512 H513	T368-K509 HydrophobicContact CG2-CD 4.02Å; T368-K509 HydrophobicContact CG2-CG 4.39Å; T368-K509 PolarHBondContact OG1-NZ 2.84Å; T507-K509 VanDerWaalsContact C-N 3.28Å; T507-K509 PolarHBondContact O-N 2.99Å; K509-Y511 VanDerWaalsContact C-N 3.35Å; K509-V512 PolarHBondContact O-N 3.39Å; K509-H513 PolarHBondContact O-CD2 2.93Å; K509-H513 PolarHBondContact O-N 3.21Å; K509-H513 VanDerWaalsContact O-N 3.07Å
510	H	80.1	Confident	83.2	Confident	47 Å²	47	23 Å²	23	22%	0.218	13%	0.133	C	C	.	.	H	α-helix	trans	-66.4	-36.1	176.9	-68.4	-9.6	0	0	0	112.1	R489 P505 T507 T508 H513 R514	R489-H510 PolarHBondContact NH1-CE1 3.47Å; R489-H510 PolarHBondContact NH2-CD2 2.94Å; R489-H510 PolarHBondContact NH2-CE1 3.33Å; R489-H510 VanDerWaalsContact NH2-CE1 3.29Å; R489-H510 VanDerWaalsContact NH2-CG 3.26Å; R489-H510 PolarHBondContact NH2-ND1 2.85Å; R489-H510 PolarHBondContact NH2-NE2 3.17Å; P505-H510 HydrophobicContact CB-CB 3.69Å; P505-H510 HydrophobicContact CG-CB 4.36Å; T507-H510 PolarHBondContact O-N 3.44Å; T507-H510 VanDerWaalsContact O-N 3.14Å; T507-H510 VanDerWaalsContact OG1-CG 3.27Å; T507-H510 PolarHBondContact OG1-N 2.88Å; T508-H510 VanDerWaalsContact C-N 3.35Å; T508-H510 PolarHBondContact O-N 3.42Å; H510-H513 PolarHBondContact O-N 3.25Å; H510-R514 WeakPolarHBondContact O-CG 3.49Å; H510-R514 PolarHBondContact O-N 2.76Å
511	Y	84.7	Confident	81.7	Confident	4 Å²	4	27.5 Å²	27.5	2%	0.016	17%	0.17	C	C	.	.	H	α-helix	trans	-56.2	-51.9	172.7	-175.5	-94.3	0	0	0	111.8	Q401 M504 P505 T507 T508 K509 H513 R514 V515 V542	Q401-Y511 PolarHBondContact OE1-OH 3.32Å; M504-Y511 HydrophobicContact CE-CD2 3.87Å; M504-Y511 HydrophobicContact CE-CE2 4.04Å; M504-Y511 HydrophobicContact SD-CD2 4.16Å; M504-Y511 HydrophobicContact SD-CE2 4.08Å; P505-Y511 HydrophobicContact CG-CD2 4.2Å; T507-Y511 PolarHBondContact O-N 3.21Å; T508-Y511 WeakPolarHBondContact O-CB 3.4Å; T508-Y511 PolarHBondContact O-N 3.27Å; T508-Y511 VanDerWaalsContact O-N 3.16Å; K509-Y511 VanDerWaalsContact C-N 3.35Å; Y511-H513 VanDerWaalsContact C-N 3.35Å; Y511-H513 PolarHBondContact O-N 3.31Å; Y511-R514 PolarHBondContact O-N 3.02Å; Y511-R514 VanDerWaalsContact O-N 3.17Å; Y511-V515 HydrophobicContact CD1-CG1 4.28Å; Y511-V515 HydrophobicContact CD1-CG2 4.31Å; Y511-V515 HydrophobicContact CD2-CG1 4.45Å; Y511-V515 HydrophobicContact CE1-CG1 3.79Å; Y511-V515 HydrophobicContact CE1-CG2 4.07Å; Y511-V515 HydrophobicContact CE2-CG1 4Å; Y511-V515 PolarHBondContact O-N 2.96Å; Y511-V542 HydrophobicContact CD1-CG1 3.88Å; Y511-V542 HydrophobicContact CD1-CG2 3.87Å; Y511-V542 HydrophobicContact CD2-CG2 4.16Å; Y511-V542 HydrophobicContact CE1-CG1 3.53Å; Y511-V542 HydrophobicContact CE1-CG2 4.33Å; Y511-V542 HydrophobicContact CE2-CG1 4.42Å; Y511-V542 HydrophobicContact CG-CG1 4.48Å; Y511-V542 HydrophobicContact CG-CG2 3.79Å
512	V	80.6	Confident	80.3	Confident	19 Å²	19	30.1 Å²	30.1	12%	0.115	20%	0.196	C	C	.	.	H	α-helix	trans	-58.2	-45	177.6	177.1	0	0	0	0	111.1	T393 V395 T508 K509 R514 V515 G516	T393-V512 VanDerWaalsContact O-CG2 3.29Å; T393-V512 WeakPolarHBondContact O-CG2 3.44Å; V395-V512 HydrophobicContact CG2-CG2 4.31Å; T508-V512 WeakPolarHBondContact O-CG2 3.37Å; T508-V512 PolarHBondContact O-N 3.06Å; K509-V512 PolarHBondContact O-N 3.39Å; V512-R514 VanDerWaalsContact C-N 3.3Å; V512-R514 PolarHBondContact O-N 3.49Å; V512-V515 PolarHBondContact O-N 3.4Å; V512-G516 PolarHBondContact O-N 3.36Å
513	H	79	Confident	79.4	Confident	24 Å²	24	37.2 Å²	37.2	11%	0.111	22%	0.223	C	C	.	.	H	α-helix	trans	-64.5	-29	178.5	-70	-175	0	0	0	114.4	K509 H510 Y511 R517	K509-H513 PolarHBondContact O-CD2 2.93Å; K509-H513 PolarHBondContact O-N 3.21Å; K509-H513 VanDerWaalsContact O-N 3.07Å; H510-H513 PolarHBondContact O-N 3.25Å; Y511-H513 VanDerWaalsContact C-N 3.35Å; Y511-H513 PolarHBondContact O-N 3.31Å; H513-R517 PolarHBondContact O-NE 2.78Å; H513-R517 PolarHBondContact O-NH2 2.79Å
514	R	85.6	Confident	79.1	Confident	3 Å²	3	41.2 Å²	41.2	1%	0.011	25%	0.251	C	S	.	.	H	α-helix	trans	-78.8	-50.5	174.4	-70	-174.7	-176.7	-176.9	3.1	112	F433 D485 N501 T503 H510 Y511 V512 G516 R517	F433-R514 HydrophobicContact CD1-CB 4.47Å; F433-R514 HydrophobicContact CD1-CG 3.68Å; F433-R514 HydrophobicContact CD2-CB 4.1Å; F433-R514 HydrophobicContact CD2-CG 4.17Å; F433-R514 HydrophobicContact CE1-CB 4.32Å; F433-R514 HydrophobicContact CE1-CG 3.69Å; F433-R514 HydrophobicContact CE2-CB 3.95Å; F433-R514 HydrophobicContact CE2-CG 4.18Å; F433-R514 HydrophobicContact CG-CB 4.35Å; F433-R514 HydrophobicContact CG-CG 3.91Å; F433-R514 HydrophobicContact CZ-CB 4.07Å; F433-R514 HydrophobicContact CZ-CG 3.95Å; D485-R514 IonicContact OD1-NE 3.21Å; D485-R514 IonicContact OD2-CZ 3.22Å; D485-R514 VanDerWaalsContact OD2-CZ 3.31Å; D485-R514 IonicContact OD2-NE 2.62Å; D485-R514 PolarHBondContact OD2-NE 3.36Å; D485-R514 VanDerWaalsContact OD2-NE 3.14Å; D485-R514 IonicContact OD2-NH2 2.94Å; D485-R514 PolarHBondContact OD2-NH2 3.21Å; N501-R514 WeakPolarHBondContact OD1-CD 3.44Å; N501-R514 PolarHBondContact OD1-NH1 3.48Å; T503-R514 PolarHBondContact O-NH1 3.02Å; H510-R514 WeakPolarHBondContact O-CG 3.49Å; H510-R514 PolarHBondContact O-N 2.76Å; Y511-R514 PolarHBondContact O-N 3.02Å; Y511-R514 VanDerWaalsContact O-N 3.17Å; V512-R514 VanDerWaalsContact C-N 3.3Å; V512-R514 PolarHBondContact O-N 3.49Å; R514-G516 VanDerWaalsContact C-N 3.28Å; R514-G516 PolarHBondContact O-N 2.99Å; R514-R517 WeakPolarHBondContact O-CB 3.3Å; R514-R517 VanDerWaalsContact O-CG 3.27Å; R514-R517 WeakPolarHBondContact O-CG 3.4Å; R514-R517 PolarHBondContact O-N 2.91Å; R514-R517 VanDerWaalsContact O-N 3.09Å
515	V	84.6	Confident	79	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.006	25%	0.249	C	C	.	.	H	α-helix	trans	-70.4	-28.5	-177.8	-54.9	0	0	0	0	112	V395 L399 Y511 V512 R517 T518	V395-V515 HydrophobicContact CG1-CG2 4.02Å; L399-V515 HydrophobicContact CD2-CB 3.66Å; L399-V515 HydrophobicContact CD2-CG2 3.63Å; Y511-V515 HydrophobicContact CD1-CG1 4.28Å; Y511-V515 HydrophobicContact CD1-CG2 4.31Å; Y511-V515 HydrophobicContact CD2-CG1 4.45Å; Y511-V515 HydrophobicContact CE1-CG1 3.79Å; Y511-V515 HydrophobicContact CE1-CG2 4.07Å; Y511-V515 HydrophobicContact CE2-CG1 4Å; Y511-V515 PolarHBondContact O-N 2.96Å; V512-V515 PolarHBondContact O-N 3.4Å; V515-R517 PolarHBondContact O-N 2.99Å; V515-T518 VanDerWaalsContact O-CG2 3.26Å; V515-T518 WeakPolarHBondContact O-CG2 3.42Å; V515-T518 PolarHBondContact O-N 2.94Å; V515-T518 VanDerWaalsContact O-N 3.08Å
516	G	78.2	Confident	79.2	Confident	23 Å²	23	44.5 Å²	44.5	24%	0.237	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	15.9	167.4	0	0	0	0	0	115.5	V512 R514 R520	V512-G516 PolarHBondContact O-N 3.36Å; R514-G516 VanDerWaalsContact C-N 3.28Å; R514-G516 PolarHBondContact O-N 2.99Å; G516-R520 VanDerWaalsContact O-CZ 3.3Å; G516-R520 PolarHBondContact O-NE 3.1Å; G516-R520 PolarHBondContact O-NH2 3.29Å
517	R	82.3	Confident	79.7	Confident	6 Å²	6	39.8 Å²	39.8	2%	0.023	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-30.6	157.7	-59.5	-60.7	120.5	-169.3	-8.3	111.6	T228 M431 F433 L491 V499 H513 R514 V515 R520	T228-R517 PolarHBondContact OG1-NH2 2.96Å; M431-R517 HydrophobicContact SD-CB 3.99Å; M431-R517 HydrophobicContact SD-CG 3.71Å; F433-R517 HydrophobicContact CE2-CG 4.05Å; F433-R517 HydrophobicContact CZ-CG 3.82Å; L491-R517 PolarHBondContact O-NH1 3.36Å; V499-R517 HydrophobicContact CG2-CB 4.05Å; H513-R517 PolarHBondContact O-NE 2.78Å; H513-R517 PolarHBondContact O-NH2 2.79Å; R514-R517 WeakPolarHBondContact O-CB 3.3Å; R514-R517 VanDerWaalsContact O-CG 3.27Å; R514-R517 WeakPolarHBondContact O-CG 3.4Å; R514-R517 PolarHBondContact O-N 2.91Å; R514-R517 VanDerWaalsContact O-N 3.09Å; V515-R517 PolarHBondContact O-N 2.99Å; R517-R520 VanDerWaalsContact NH1-NH2 3.1Å
518	T	81.7	Confident	80.3	Confident	5 Å²	5	37.1 Å²	37.1	3%	0.031	21%	0.214	C	C	.	.	S	Bend	trans	-99.3	179.3	170.8	-169.1	0	0	0	0	111.1	L399 V496 K497 V499 V515 R520 G525	L399-T518 HydrophobicContact CD1-CG2 3.7Å; V496-T518 WeakPolarHBondContact O-CB 3.41Å; V496-T518 PolarHBondContact O-OG1 3.41Å; K497-T518 PolarHBondContact O-OG1 3.06Å; V499-T518 HydrophobicContact CB-CG2 4.4Å; V499-T518 HydrophobicContact CG2-CG2 3.78Å; V515-T518 VanDerWaalsContact O-CG2 3.26Å; V515-T518 WeakPolarHBondContact O-CG2 3.42Å; V515-T518 PolarHBondContact O-N 2.94Å; V515-T518 VanDerWaalsContact O-N 3.08Å; T518-R520 VanDerWaalsContact C-N 3.26Å; T518-R520 PolarHBondContact O-N 3.11Å; T518-G525 WeakPolarHBondContact OG1-CA 3.48Å
519	A	74.1	Confident	80.9	Confident	13 Å²	13	35.7 Å²	35.7	11%	0.107	21%	0.205	C	C	.	.	S	Bend	trans	55.4	32.2	-179.6	0	0	0	0	0	115.4	A396 L399 R523	A396-A519 HydrophobicContact CB-CB 3.98Å; L399-A519 HydrophobicContact CB-CB 3.96Å; A519-R523 CarbonylContact C-O 3.55Å; A519-R523 WeakPolarHBondContact CA-O 3.46Å; A519-R523 WeakPolarHBondContact CB-O 3.35Å
520	R	69.3	Low	81.7	Confident	32 Å²	32	31.9 Å²	31.9	12%	0.121	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-76.3	153.9	177.4	-66	-173.9	170.2	179.7	-0.6	111.7	D492 G516 R517 T518 G522 R523	D492-R520 IonicContact OD1-CZ 3.11Å; D492-R520 IonicContact OD1-NH1 3.89Å; D492-R520 PolarHBondContact OD1-NH1 3.07Å; G516-R520 VanDerWaalsContact O-CZ 3.3Å; G516-R520 PolarHBondContact O-NE 3.1Å; G516-R520 PolarHBondContact O-NH2 3.29Å; R517-R520 VanDerWaalsContact NH1-NH2 3.1Å; T518-R520 VanDerWaalsContact C-N 3.26Å; T518-R520 PolarHBondContact O-N 3.11Å; R520-G522 PolarHBondContact O-N 3.14Å; R520-G522 VanDerWaalsContact O-N 3.14Å; R520-R523 WeakPolarHBondContact O-CB 3.29Å; R520-R523 WeakPolarHBondContact O-CG 3.16Å; R520-R523 PolarHBondContact O-N 3.3Å
521	A	63.1	Low	82.2	Confident	94 Å²	94	29.9 Å²	29.9	78%	0.777	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	47.1	42	178.5	0	0	0	0	0	114.2	R523	A521-R523 PolarHBondContact O-N 3.36Å
522	G	64.4	Low	82.4	Confident	54 Å²	54	29.9 Å²	29.9	56%	0.557	18%	0.181	S	C	*	.	G	3₁₀ helix	trans	76.2	-4.2	178.6	0	0	0	0	0	116	F398 R520	F398-G522 VanDerWaalsContact CD2-O 3.26Å; F398-G522 WeakPolarHBondContact CD2-O 3.29Å; R520-G522 PolarHBondContact O-N 3.14Å; R520-G522 VanDerWaalsContact O-N 3.14Å
523	R	74.1	Confident	82.6	Confident	160 Å²	160	34.3 Å²	34.3	60%	0.604	20%	0.2	S	C	*	.			trans	-64.6	149.7	177.4	-57.9	-179.1	-168.7	-177	6.5	110.8	A519 R520 A521	A519-R523 CarbonylContact C-O 3.55Å; A519-R523 WeakPolarHBondContact CA-O 3.46Å; A519-R523 WeakPolarHBondContact CB-O 3.35Å; R520-R523 WeakPolarHBondContact O-CB 3.29Å; R520-R523 WeakPolarHBondContact O-CG 3.16Å; R520-R523 PolarHBondContact O-N 3.3Å; A521-R523 PolarHBondContact O-N 3.36Å
524	S	82.4	Confident	82.8	Confident	96 Å²	96	37.5 Å²	37.5	67%	0.671	23%	0.225	S	C	*	.			trans	-71.8	140.4	169.8	62.6	0	0	0	0	111.2
525	G	87	Confident	82.9	Confident	2 Å²	2	38 Å²	38	2%	0.021	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	167.5	176	0	0	0	0	0	112.6	F398 L399 R400 T518	F398-G525 PolarHBondContact O-N 2.56Å; L399-G525 VanDerWaalsContact CD1-C 3.49Å; L399-G525 WeakPolarHBondContact CD1-O 3.44Å; R400-G525 PolarHBondContact N-O 3.28Å; T518-G525 WeakPolarHBondContact OG1-CA 3.48Å
526	R	90.5	Very high	82.9	Confident	84 Å²	84	43.3 Å²	43.3	32%	0.317	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	135.9	174.6	-61.6	-179.7	76.9	170.5	8.4	110.8	R400 E402 K497 T498 V499 R553	R400-R526 HydrophobicContact CB-CG 4.37Å; R400-R526 WeakPolarHBondContact O-CA 3.42Å; E402-R526 IonicContact OE1-CZ 2.66Å; E402-R526 IonicContact OE1-NE 2.75Å; E402-R526 PolarHBondContact OE1-NE 3.25Å; E402-R526 VanDerWaalsContact OE1-NE 3.11Å; E402-R526 IonicContact OE1-NH2 2.73Å; E402-R526 PolarHBondContact OE1-NH2 3.03Å; E402-R526 IonicContact OE2-NH2 3.01Å; K497-R526 PolarHBondContact O-N 2.86Å; T498-R526 CarbonylContact C-O 3.58Å; T498-R526 WeakPolarHBondContact CA-O 3.39Å; T498-R526 HydrophobicContact CG2-CB 4.4Å; V499-R526 PolarHBondContact N-O 3.32Å; R526-R553 VanDerWaalsContact NH2-NH2 3.16Å
527	S	92.3	Very high	83.4	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	136.3	166.5	64	0	0	0	0	110.4	R400 E402 V499	R400-S527 PolarHBondContact O-N 3.37Å; E402-S527 PolarHBondContact N-O 2.91Å; V499-S527 CarbonylContact O-C 3.55Å; V499-S527 VanDerWaalsContact O-CA 3.25Å; V499-S527 WeakPolarHBondContact O-CA 3.41Å
528	V	94.1	Very high	83.5	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	123.4	176	-173	0	0	0	0	108.5	E402 V404 L421 F426 V499 I500 N501	E402-V528 HydrophobicContact CB-CG2 4.28Å; E402-V528 CarbonylContact O-C 3.58Å; E402-V528 WeakPolarHBondContact O-CA 3.4Å; V404-V528 HydrophobicContact CG2-CG1 4.04Å; L421-V528 HydrophobicContact CD1-CG1 3.93Å; F426-V528 HydrophobicContact CE2-CG2 3.64Å; F426-V528 HydrophobicContact CZ-CG2 3.61Å; V499-V528 PolarHBondContact O-N 3.44Å; I500-V528 CarbonylContact C-O 3.45Å; I500-V528 VanDerWaalsContact CA-O 3.29Å; I500-V528 WeakPolarHBondContact CA-O 3.43Å; I500-V528 HydrophobicContact CG1-CB 4.47Å; N501-V528 PolarHBondContact N-O 3.05Å
529	S	93.9	Very high	83.8	Confident	2 Å²	2	51.8 Å²	51.8	1%	0.014	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	123.2	-175.9	-52.2	0	0	0	0	111.6	E402 F403 V404 N501	E402-S529 PolarHBondContact O-N 3.15Å; F403-S529 CarbonylContact C-O 3.59Å; F403-S529 VanDerWaalsContact CA-O 3.27Å; F403-S529 WeakPolarHBondContact CA-O 3.39Å; V404-S529 PolarHBondContact N-O 3.19Å; N501-S529 PolarHBondContact ND2-OG 2.79Å
530	L	93.3	Very high	84.4	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	128.7	170.4	-74.8	165.8	0	0	0	109.5	V404 I406 V417 V418 N501	V404-L530 HydrophobicContact CB-CD2 3.77Å; V404-L530 HydrophobicContact CG1-CD2 3.9Å; I406-L530 HydrophobicContact CD1-CB 3.89Å; I406-L530 HydrophobicContact CD1-CD2 3.86Å; I406-L530 HydrophobicContact CD1-CG 4.39Å; I406-L530 HydrophobicContact CG1-CD2 4.14Å; V417-L530 HydrophobicContact CB-CD2 4.1Å; V417-L530 HydrophobicContact CG1-CD1 4.47Å; V417-L530 HydrophobicContact CG1-CD2 3.48Å; V417-L530 VanDerWaalsContact CG1-CD2 3.48Å; V418-L530 HydrophobicContact CG2-CD1 3.44Å; V418-L530 VanDerWaalsContact CG2-CD1 3.44Å; N501-L530 WeakPolarHBondContact O-CB 3.36Å; N501-L530 PolarHBondContact O-N 2.85Å
531	V	91.3	Very high	85.2	Confident	5 Å²	5	62.3 Å²	62.3	3%	0.03	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	106.1	-175.2	-172.8	0	0	0	0	109.8	F403 V404 I406 M504 E535 L539	F403-V531 HydrophobicContact CB-CG2 4.27Å; V404-V531 PolarHBondContact O-N 2.96Å; I406-V531 PolarHBondContact N-O 3.3Å; M504-V531 HydrophobicContact CG-CG2 3.98Å; M504-V531 HydrophobicContact SD-CG2 4.31Å; V531-E535 HydrophobicContact CG1-CB 4.04Å; V531-L539 HydrophobicContact CB-CD2 4.43Å; V531-L539 HydrophobicContact CG1-CB 4.05Å; V531-L539 HydrophobicContact CG1-CD2 4Å; V531-L539 HydrophobicContact CG2-CD1 4.38Å; V531-L539 HydrophobicContact CG2-CD2 4.23Å
532	G	88.3	Confident	86.2	Confident	4 Å²	4	57.9 Å²	57.9	4%	0.041	29%	0.29	C	S	.	.			trans	-79.2	-175	164.5	0	0	0	0	0	112.5	E535	G532-E535 PolarHBondContact N-OE2 2.71Å
533	E	85.1	Confident	87.2	Confident	113 Å²	113	58.8 Å²	58.8	53%	0.528	28%	0.284	S	S	.	.	S	Bend	trans	-71.3	-42	-173.8	-178	140	-114	0	0	113.2	E535 R536	E533-E535 VanDerWaalsContact C-N 3.26Å; E533-E535 PolarHBondContact O-N 3.28Å; E533-R536 WeakPolarHBondContact O-CB 3.39Å; E533-R536 PolarHBondContact O-N 2.98Å
534	S	84.3	Confident	87.7	Confident	90 Å²	90	60.3 Å²	60.3	63%	0.629	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-38.3	176.2	52.1	0	0	0	0	112.7	R536	S534-R536 VanDerWaalsContact C-N 3.31Å; S534-R536 PolarHBondContact O-N 3Å
535	E	87.1	Confident	87.4	Confident	15 Å²	15	57.8 Å²	57.8	7%	0.07	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-8.7	-176.1	-63.1	164.2	140.9	0	0	113.3	R414 T503 M504 V531 G532 E533 K537 T538 L539	R414-E535 IonicContact CZ-OE1 1.97Å; R414-E535 IonicContact CZ-OE2 2.61Å; R414-E535 IonicContact NH1-OE1 2.71Å; R414-E535 PolarHBondContact NH1-OE1 3.46Å; R414-E535 IonicContact NH1-OE2 2.74Å; R414-E535 PolarHBondContact NH1-OE2 3.02Å; R414-E535 VanDerWaalsContact NH1-OE2 3.1Å; R414-E535 VanDerWaalsContact NH2-CD 3.34Å; R414-E535 IonicContact NH2-OE1 2.58Å; R414-E535 IonicContact NH2-OE2 2.79Å; R414-E535 PolarHBondContact NH2-OE2 3.39Å; T503-E535 WeakPolarHBondContact CA-OE1 3.43Å; T503-E535 VanDerWaalsContact CG2-OE1 3.22Å; T503-E535 WeakPolarHBondContact CG2-OE1 3.37Å; M504-E535 HydrophobicContact CB-CB 3.9Å; M504-E535 HydrophobicContact CB-CG 3.84Å; M504-E535 HydrophobicContact CG-CB 4.06Å; M504-E535 HydrophobicContact CG-CG 4.39Å; M504-E535 PolarHBondContact N-OE1 2.92Å; V531-E535 HydrophobicContact CG1-CB 4.04Å; G532-E535 PolarHBondContact N-OE2 2.71Å; E533-E535 VanDerWaalsContact C-N 3.26Å; E533-E535 PolarHBondContact O-N 3.28Å; E535-K537 PolarHBondContact O-N 3.02Å; E535-K537 VanDerWaalsContact O-N 3.12Å; E535-T538 PolarHBondContact O-N 2.82Å; E535-T538 VanDerWaalsContact O-N 3.08Å; E535-L539 PolarHBondContact O-N 3.22Å; E535-L539 VanDerWaalsContact O-N 3.11Å
536	R	84.9	Confident	86.8	Confident	112 Å²	112	58.5 Å²	58.5	42%	0.423	28%	0.284	S	S	.	.	H	α-helix	trans	-63	-20.8	-174.4	-164.7	174.1	-174.9	-176.3	-1.3	113.9	E533 S534 K540	E533-R536 WeakPolarHBondContact O-CB 3.39Å; E533-R536 PolarHBondContact O-N 2.98Å; S534-R536 VanDerWaalsContact C-N 3.31Å; S534-R536 PolarHBondContact O-N 3Å; R536-K540 PolarHBondContact O-N 3.41Å
537	K	87.1	Confident	85.8	Confident	164 Å²	164	62.7 Å²	62.7	71%	0.713	30%	0.304	S	S	*	.	H	α-helix	trans	-70.1	-51.5	171.6	-67.5	177.9	-177	172.8	0	110.8	E535 L539 K540 E541	E535-K537 PolarHBondContact O-N 3.02Å; E535-K537 VanDerWaalsContact O-N 3.12Å; K537-L539 VanDerWaalsContact C-N 3.29Å; K537-L539 PolarHBondContact O-N 3.18Å; K537-K540 WeakPolarHBondContact O-CB 3.36Å; K537-K540 PolarHBondContact O-N 3.45Å; K537-E541 PolarHBondContact O-N 2.67Å; K537-E541 VanDerWaalsContact O-N 3.13Å
538	T	85.3	Confident	84.8	Confident	23 Å²	23	66 Å²	66	14%	0.141	32%	0.322	C	S	.	.	H	α-helix	trans	-58.9	-39.1	176.1	-41.3	0	0	0	0	111.8	M504 P505 E535 K540 E541 V542	M504-T538 HydrophobicContact CE-CG2 4Å; P505-T538 WeakPolarHBondContact O-CG2 3.4Å; E535-T538 PolarHBondContact O-N 2.82Å; E535-T538 VanDerWaalsContact O-N 3.08Å; T538-K540 VanDerWaalsContact C-N 3.35Å; T538-K540 PolarHBondContact O-N 3.24Å; T538-E541 PolarHBondContact O-N 3.07Å; T538-V542 HydrophobicContact CG2-CG2 4.47Å; T538-V542 WeakPolarHBondContact O-CG2 3.48Å; T538-V542 PolarHBondContact O-N 2.57Å
539	L	87.1	Confident	83.9	Confident	24 Å²	24	70.7 Å²	70.7	13%	0.126	35%	0.354	C	S	.	.	H	α-helix	trans	-60.1	-42.3	174.6	179.9	64.2	0	0	0	112.1	F403 V531 E535 K537 E541 V542 V543	F403-L539 HydrophobicContact CB-CD1 4.33Å; F403-L539 HydrophobicContact CD1-CD1 4.47Å; F403-L539 HydrophobicContact CD2-CD2 3.95Å; F403-L539 HydrophobicContact CE2-CD2 4.12Å; F403-L539 HydrophobicContact CG-CD1 4.31Å; F403-L539 HydrophobicContact CG-CD2 4.23Å; V531-L539 HydrophobicContact CB-CD2 4.43Å; V531-L539 HydrophobicContact CG1-CB 4.05Å; V531-L539 HydrophobicContact CG1-CD2 4Å; V531-L539 HydrophobicContact CG2-CD1 4.38Å; V531-L539 HydrophobicContact CG2-CD2 4.23Å; E535-L539 PolarHBondContact O-N 3.22Å; E535-L539 VanDerWaalsContact O-N 3.11Å; K537-L539 VanDerWaalsContact C-N 3.29Å; K537-L539 PolarHBondContact O-N 3.18Å; L539-E541 VanDerWaalsContact C-N 3.32Å; L539-E541 PolarHBondContact O-N 3.06Å; L539-V542 PolarHBondContact O-N 3.39Å; L539-V543 HydrophobicContact CD1-CG2 3.97Å; L539-V543 HydrophobicContact CG-CG2 4.28Å; L539-V543 WeakPolarHBondContact O-CB 3.43Å; L539-V543 VanDerWaalsContact O-CG2 3.25Å; L539-V543 WeakPolarHBondContact O-CG2 3.38Å; L539-V543 PolarHBondContact O-N 3.31Å
540	K	86.9	Confident	83.5	Confident	155 Å²	155	71.7 Å²	71.7	67%	0.674	36%	0.361	S	S	*	.	H	α-helix	trans	-63.2	-38	176.2	-74.4	-177.4	175.8	-171.2	0	112.2	R536 K537 T538 K544	R536-K540 PolarHBondContact O-N 3.41Å; K537-K540 WeakPolarHBondContact O-CB 3.36Å; K537-K540 PolarHBondContact O-N 3.45Å; T538-K540 VanDerWaalsContact C-N 3.35Å; T538-K540 PolarHBondContact O-N 3.24Å; K540-K544 VanDerWaalsContact O-CB 3.32Å; K540-K544 WeakPolarHBondContact O-CB 3.45Å; K540-K544 PolarHBondContact O-N 3.35Å
541	E	86.2	Confident	83.3	Confident	112 Å²	112	78.5 Å²	78.5	52%	0.523	39%	0.39	S	S	.	.	H	α-helix	trans	-67.6	-46.1	176.3	-69.3	173.5	-158.2	0	0	111.6	K537 T538 L539 K544 S545	K537-E541 PolarHBondContact O-N 2.67Å; K537-E541 VanDerWaalsContact O-N 3.13Å; T538-E541 PolarHBondContact O-N 3.07Å; L539-E541 VanDerWaalsContact C-N 3.32Å; L539-E541 PolarHBondContact O-N 3.06Å; E541-K544 PolarHBondContact O-N 2.95Å; E541-S545 PolarHBondContact O-N 3.05Å; E541-S545 PolarHBondContact O-OG 3.3Å
542	V	84.8	Confident	83.2	Confident	1 Å²	1	81.5 Å²	81.5	1%	0.006	42%	0.416	C	S	.	.	H	α-helix	trans	-58.5	-50.4	174.9	168.2	0	0	0	0	111	M504 T508 Y511 T538 L539 K544 S545 A546	M504-V542 HydrophobicContact CE-CG2 4.15Å; T508-V542 HydrophobicContact CG2-CG2 4.18Å; Y511-V542 HydrophobicContact CD1-CG1 3.88Å; Y511-V542 HydrophobicContact CD1-CG2 3.87Å; Y511-V542 HydrophobicContact CD2-CG2 4.16Å; Y511-V542 HydrophobicContact CE1-CG1 3.53Å; Y511-V542 HydrophobicContact CE1-CG2 4.33Å; Y511-V542 HydrophobicContact CE2-CG1 4.42Å; Y511-V542 HydrophobicContact CG-CG1 4.48Å; Y511-V542 HydrophobicContact CG-CG2 3.79Å; T538-V542 HydrophobicContact CG2-CG2 4.47Å; T538-V542 WeakPolarHBondContact O-CG2 3.48Å; T538-V542 PolarHBondContact O-N 2.57Å; L539-V542 PolarHBondContact O-N 3.39Å; V542-K544 VanDerWaalsContact C-N 3.28Å; V542-K544 PolarHBondContact O-N 3.32Å; V542-S545 WeakPolarHBondContact CA-OG 3.36Å; V542-S545 CarbonylContact O-C 3.55Å; V542-S545 PolarHBondContact O-N 2.91Å; V542-S545 PolarHBondContact O-OG 3.44Å; V542-A546 WeakPolarHBondContact O-CB 3.37Å; V542-A546 PolarHBondContact O-N 3.02Å
543	V	85.8	Confident	83.3	Confident	72 Å²	72	83.3 Å²	83.3	44%	0.436	42%	0.421	S	S	.	.	H	α-helix	trans	-61	-35.8	178.1	170.6	0	0	0	0	111.8	L539 V550	L539-V543 HydrophobicContact CD1-CG2 3.97Å; L539-V543 HydrophobicContact CG-CG2 4.28Å; L539-V543 WeakPolarHBondContact O-CB 3.43Å; L539-V543 VanDerWaalsContact O-CG2 3.25Å; L539-V543 WeakPolarHBondContact O-CG2 3.38Å; L539-V543 PolarHBondContact O-N 3.31Å; V543-V550 HydrophobicContact CG2-CB 4.11Å; V543-V550 HydrophobicContact CG2-CG2 3.95Å
544	K	83.8	Confident	83.4	Confident	192 Å²	192	84.1 Å²	84.1	84%	0.835	43%	0.434	S	S	*	.	H	α-helix	trans	-70.7	-29.4	174.9	-174.8	176.1	177.5	-178	0	113.1	K540 E541 V542	K540-K544 VanDerWaalsContact O-CB 3.32Å; K540-K544 WeakPolarHBondContact O-CB 3.45Å; K540-K544 PolarHBondContact O-N 3.35Å; E541-K544 PolarHBondContact O-N 2.95Å; V542-K544 VanDerWaalsContact C-N 3.28Å; V542-K544 PolarHBondContact O-N 3.32Å
545	S	75.6	Confident	83.4	Confident	43 Å²	43	81.2 Å²	81.2	30%	0.301	41%	0.411	S	S	.	.	H	α-helix	trans	-85.8	-17.7	176	61.9	0	0	0	0	114.4	E541 V542 K547	E541-S545 PolarHBondContact O-N 3.05Å; E541-S545 PolarHBondContact O-OG 3.3Å; V542-S545 WeakPolarHBondContact CA-OG 3.36Å; V542-S545 CarbonylContact O-C 3.55Å; V542-S545 PolarHBondContact O-N 2.91Å; V542-S545 PolarHBondContact O-OG 3.44Å; S545-K547 PolarHBondContact O-N 2.87Å
546	A	75	Confident	83.5	Confident	18 Å²	18	84.3 Å²	84.3	15%	0.149	43%	0.432	C	S	.	.			trans	-80	118.3	-175.5	0	0	0	0	0	111.6	V542 N548 V550	V542-A546 WeakPolarHBondContact O-CB 3.37Å; V542-A546 PolarHBondContact O-N 3.02Å; A546-N548 VanDerWaalsContact C-N 3.27Å; A546-N548 WeakPolarHBondContact CB-O 3.38Å; A546-N548 PolarHBondContact O-N 2.6Å; A546-V550 HydrophobicContact CB-CG2 3.87Å
547	K	69.7	Low	83.5	Confident	172 Å²	172	82 Å²	82	75%	0.748	43%	0.431	S	S	*	.	S	Bend	trans	-64.6	-31.3	170.5	-71.2	174.5	170.7	169.4	0	112.7	D394 S545	D394-K547 WeakPolarHBondContact OD2-CE 3.19Å; D394-K547 IonicContact OD2-NZ 3.2Å; D394-K547 PolarHBondContact OD2-NZ 2.65Å; S545-K547 PolarHBondContact O-N 2.87Å
548	N	70.9	Confident	83.5	Confident	70 Å²	70	80.3 Å²	80.3	37%	0.374	43%	0.425	S	S	.	.	S	Bend	trans	-97.1	146.3	177.3	-68.1	-9	0	0	0	111.2	P397 A546 V550	P397-N548 PolarHBondContact O-ND2 2.59Å; A546-N548 VanDerWaalsContact C-N 3.27Å; A546-N548 WeakPolarHBondContact CB-O 3.38Å; A546-N548 PolarHBondContact O-N 2.6Å; N548-V550 PolarHBondContact O-N 2.92Å
549	S	75.8	Confident	83.6	Confident	97 Å²	97	80 Å²	80	68%	0.678	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-65	120.9	177.4	52.6	0	0	0	0	112.4	K551	S549-K551 PolarHBondContact O-N 3.47Å
550	V	84.8	Confident	83.7	Confident	24 Å²	24	79.6 Å²	79.6	15%	0.145	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-79.4	117.5	174.4	-167.3	0	0	0	0	108.7	Q401 F403 V543 A546 N548	Q401-V550 HydrophobicContact CB-CB 4.42Å; Q401-V550 HydrophobicContact CB-CG1 3.9Å; Q401-V550 HydrophobicContact CB-CG2 4.25Å; Q401-V550 WeakPolarHBondContact O-CA 3.2Å; F403-V550 HydrophobicContact CD1-CG1 3.91Å; V543-V550 HydrophobicContact CG2-CB 4.11Å; V543-V550 HydrophobicContact CG2-CG2 3.95Å; A546-V550 HydrophobicContact CB-CG2 3.87Å; N548-V550 PolarHBondContact O-N 2.92Å
551	K	89.6	Confident	83.8	Confident	142 Å²	142	75 Å²	75	62%	0.617	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.8	140.5	-173.9	-65.1	-169.4	176.4	-170.4	0	112	Q401 E402 F403 S549	Q401-K551 PolarHBondContact O-N 3Å; E402-K551 CarbonylContact C-O 3.29Å; E402-K551 VanDerWaalsContact CA-O 3.25Å; E402-K551 WeakPolarHBondContact CA-O 3.35Å; F403-K551 WeakPolarHBondContact CD1-O 3.28Å; F403-K551 PolarHBondContact N-O 3.37Å; S549-K551 PolarHBondContact O-N 3.47Å
552	A	89.6	Confident	84	Confident	69 Å²	69	76.3 Å²	76.3	57%	0.57	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	124.6	167.4	0	0	0	0	0	109.5	F403	F403-A552 HydrophobicContact CE1-CB 3.87Å; F403-A552 HydrophobicContact CE2-CB 4.15Å; F403-A552 HydrophobicContact CZ-CB 3.62Å
553	R	89.2	Confident	84.2	Confident	41 Å²	41	77.7 Å²	77.7	16%	0.155	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-97.4	122.7	165.8	176.5	-173.8	-76.1	-130.5	0.1	108.5	E402 F403 V404 L421 T425 R526 L555	E402-R553 IonicContact OE1-NH2 3.52Å; E402-R553 IonicContact OE2-CZ 2.74Å; E402-R553 IonicContact OE2-NE 2.97Å; E402-R553 PolarHBondContact OE2-NE 3.22Å; E402-R553 IonicContact OE2-NH2 2.65Å; E402-R553 PolarHBondContact OE2-NH2 3.39Å; F403-R553 PolarHBondContact O-N 3.1Å; V404-R553 HydrophobicContact CG2-CB 3.93Å; V404-R553 HydrophobicContact CG2-CG 4.11Å; L421-R553 VanDerWaalsContact CD2-NH1 3.32Å; T425-R553 PolarHBondContact OG1-NH1 2.66Å; R526-R553 VanDerWaalsContact NH2-NH2 3.16Å; R553-L555 HydrophobicContact CG-CD1 4.08Å
554	V	87.3	Confident	84.4	Confident	131 Å²	131	80.1 Å²	80.1	79%	0.794	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-92.9	135.3	168.3	-176.6	0	0	0	0	108.4
555	L	86.1	Confident	84.8	Confident	29 Å²	29	74.2 Å²	74.2	15%	0.152	39%	0.393	C	S	.	.			trans	-106.5	140.5	162.7	-77.9	83.8	0	0	0	108.2	V404 V417 A420 L421 R553 T557 V560	V404-L555 HydrophobicContact CB-CD1 4.48Å; V404-L555 HydrophobicContact CG1-CD1 3.88Å; V404-L555 HydrophobicContact CG2-CD1 3.69Å; V417-L555 HydrophobicContact CG1-CD1 4.31Å; V417-L555 HydrophobicContact CG1-CD2 4.13Å; A420-L555 HydrophobicContact CB-CD2 3.99Å; L421-L555 HydrophobicContact CD2-CD1 4.14Å; L421-L555 HydrophobicContact CD2-CD2 4.29Å; L421-L555 HydrophobicContact CG-CD2 4.33Å; R553-L555 HydrophobicContact CG-CD1 4.08Å; L555-T557 PolarHBondContact O-N 3.03Å; L555-V560 HydrophobicContact CB-CG2 4.25Å
556	P	87.2	Confident	85.4	Confident	79 Å²	79	75.3 Å²	75.3	51%	0.513	40%	0.395	S	S	.	.			trans	-62	133	172.7	-20.2	32	0	0	0	111	E558 V559 V560	P556-E558 VanDerWaalsContact C-N 3.27Å; P556-E558 PolarHBondContact O-N 2.78Å; P556-V559 HydrophobicContact CB-CG2 4.14Å; P556-V559 HydrophobicContact CG-CG2 4.34Å; P556-V559 WeakPolarHBondContact O-CB 3.33Å; P556-V559 PolarHBondContact O-N 2.75Å; P556-V560 PolarHBondContact O-N 3.11Å
557	T	85	Confident	86.1	Confident	65 Å²	65	75.1 Å²	75.1	40%	0.399	39%	0.392	S	S	.	.	H	α-helix	trans	-58.8	-37.6	-175.1	-47.6	0	0	0	0	112.4	L555 V559 V560 L561	L555-T557 PolarHBondContact O-N 3.03Å; T557-V559 PolarHBondContact O-N 2.79Å; T557-V560 PolarHBondContact O-N 3.19Å; T557-V560 VanDerWaalsContact O-N 3.13Å; T557-L561 HydrophobicContact CG2-CD1 4.25Å; T557-L561 HydrophobicContact CG2-CG 4.43Å; T557-L561 WeakPolarHBondContact O-CG 3.46Å; T557-L561 PolarHBondContact O-N 3.39Å
558	E	87.8	Confident	87.2	Confident	128 Å²	128	71.2 Å²	71.2	60%	0.598	39%	0.386	S	S	*	.	H	α-helix	trans	-54.6	-38.1	175.1	-64.2	163.8	-127.8	0	0	113.4	P556 L561 K562	P556-E558 VanDerWaalsContact C-N 3.27Å; P556-E558 PolarHBondContact O-N 2.78Å; E558-L561 PolarHBondContact O-N 3.49Å; E558-K562 WeakPolarHBondContact O-CB 3.36Å; E558-K562 VanDerWaalsContact O-CG 3.29Å; E558-K562 WeakPolarHBondContact O-CG 3.45Å; E558-K562 PolarHBondContact O-N 3.47Å
559	V	88.4	Confident	88.1	Confident	16 Å²	16	75.1 Å²	75.1	10%	0.097	40%	0.4	C	S	.	.	H	α-helix	trans	-70.2	-41.9	-179.5	-179.9	0	0	0	0	109.4	A420 P556 T557 L561 K562 F563	A420-V559 HydrophobicContact CB-CG1 4Å; P556-V559 HydrophobicContact CB-CG2 4.14Å; P556-V559 HydrophobicContact CG-CG2 4.34Å; P556-V559 WeakPolarHBondContact O-CB 3.33Å; P556-V559 PolarHBondContact O-N 2.75Å; T557-V559 PolarHBondContact O-N 2.79Å; V559-L561 VanDerWaalsContact C-N 3.35Å; V559-K562 PolarHBondContact O-N 2.92Å; V559-F563 HydrophobicContact CG1-CD2 3.93Å; V559-F563 HydrophobicContact CG1-CE2 4.04Å; V559-F563 WeakPolarHBondContact O-CD2 3.41Å; V559-F563 PolarHBondContact O-N 2.89Å
560	V	87.4	Confident	88.8	Confident	15 Å²	15	71 Å²	71	9%	0.091	37%	0.37	C	S	.	.	H	α-helix	trans	-63.5	-41.6	176.1	-174.4	0	0	0	0	110.9	D413 A416 V417 L555 P556 T557 F563 R564	D413-V560 HydrophobicContact CB-CG1 3.9Å; A416-V560 HydrophobicContact CB-CG1 4.16Å; V417-V560 HydrophobicContact CG2-CG1 3.87Å; V417-V560 HydrophobicContact CG2-CG2 3.92Å; L555-V560 HydrophobicContact CB-CG2 4.25Å; P556-V560 PolarHBondContact O-N 3.11Å; T557-V560 PolarHBondContact O-N 3.19Å; T557-V560 VanDerWaalsContact O-N 3.13Å; V560-F563 PolarHBondContact O-N 3.49Å; V560-R564 WeakPolarHBondContact O-CB 3.01Å; V560-R564 PolarHBondContact O-N 2.79Å
561	L	89.1	Confident	89.1	Confident	58 Å²	58	72.5 Å²	72.5	30%	0.304	38%	0.375	S	S	.	.	H	α-helix	trans	-62.6	-50.8	175.1	-68.9	170.8	0	0	0	111.7	T557 E558 V559 F563 R564 D565	T557-L561 HydrophobicContact CG2-CD1 4.25Å; T557-L561 HydrophobicContact CG2-CG 4.43Å; T557-L561 WeakPolarHBondContact O-CG 3.46Å; T557-L561 PolarHBondContact O-N 3.39Å; E558-L561 PolarHBondContact O-N 3.49Å; V559-L561 VanDerWaalsContact C-N 3.35Å; L561-F563 VanDerWaalsContact C-N 3.25Å; L561-F563 PolarHBondContact O-N 2.9Å; L561-R564 WeakPolarHBondContact O-CB 3.41Å; L561-R564 PolarHBondContact O-N 3.28Å; L561-D565 PolarHBondContact O-N 3.45Å
562	K	90.8	Very high	89.1	Confident	140 Å²	140	74 Å²	74	61%	0.609	38%	0.382	S	S	*	.	H	α-helix	trans	-55.4	-38.9	176.9	-74.7	168.3	179.4	170.3	0	112.5	E558 V559 L566	E558-K562 WeakPolarHBondContact O-CB 3.36Å; E558-K562 VanDerWaalsContact O-CG 3.29Å; E558-K562 WeakPolarHBondContact O-CG 3.45Å; E558-K562 PolarHBondContact O-N 3.47Å; V559-K562 PolarHBondContact O-N 2.92Å; K562-L566 WeakPolarHBondContact O-CB 3.19Å; K562-L566 PolarHBondContact O-N 3.31Å; K562-L566 VanDerWaalsContact O-N 3.16Å
563	F	90	Very high	89.1	Confident	31 Å²	31	71.8 Å²	71.8	14%	0.136	36%	0.36	C	S	.	.	H	α-helix	trans	-74.9	-35.2	173.8	-84.3	-75.4	0	0	0	113.8	A416 A419 A420 T423 V559 V560 L561 L566 I567	A416-F563 HydrophobicContact CB-CB 3.97Å; A419-F563 HydrophobicContact CB-CD1 3.78Å; A419-F563 HydrophobicContact CB-CE1 4.26Å; A419-F563 HydrophobicContact CB-CG 4.4Å; A420-F563 HydrophobicContact CB-CD2 3.55Å; A420-F563 HydrophobicContact CB-CE2 3.85Å; A420-F563 HydrophobicContact CB-CG 4.18Å; T423-F563 HydrophobicContact CG2-CE1 4.06Å; T423-F563 HydrophobicContact CG2-CZ 4.1Å; T423-F563 WeakPolarHBondContact OG1-CZ 3.46Å; V559-F563 HydrophobicContact CG1-CD2 3.93Å; V559-F563 HydrophobicContact CG1-CE2 4.04Å; V559-F563 WeakPolarHBondContact O-CD2 3.41Å; V559-F563 PolarHBondContact O-N 2.89Å; V560-F563 PolarHBondContact O-N 3.49Å; L561-F563 VanDerWaalsContact C-N 3.25Å; L561-F563 PolarHBondContact O-N 2.9Å; F563-L566 HydrophobicContact CD1-CD2 4.11Å; F563-L566 HydrophobicContact CE1-CD2 4.18Å; F563-L566 PolarHBondContact O-N 3.26Å; F563-I567 WeakPolarHBondContact O-CB 3.36Å; F563-I567 WeakPolarHBondContact O-CD1 3.25Å; F563-I567 WeakPolarHBondContact O-CG1 3.15Å; F563-I567 PolarHBondContact O-N 2.94Å
564	R	90.1	Very high	89.1	Confident	123 Å²	123	69.9 Å²	69.9	46%	0.464	35%	0.353	S	S	.	.	H	α-helix	trans	-61.2	-44.5	173.6	-175.7	-159.4	69.6	162	1.3	111.2	A416 V560 L561 L566 I567 S568	A416-R564 HydrophobicContact CB-CB 4.19Å; V560-R564 WeakPolarHBondContact O-CB 3.01Å; V560-R564 PolarHBondContact O-N 2.79Å; L561-R564 WeakPolarHBondContact O-CB 3.41Å; L561-R564 PolarHBondContact O-N 3.28Å; R564-L566 VanDerWaalsContact C-N 3.35Å; R564-I567 PolarHBondContact O-N 3.33Å; R564-S568 PolarHBondContact O-N 2.78Å
565	D	90.9	Very high	89.3	Confident	68 Å²	68	69.6 Å²	69.6	36%	0.364	34%	0.343	S	S	.	.	H	α-helix	trans	-73	-32.2	-177.3	-54.1	-22.6	0	0	0	110.9	L561 S568 K569	L561-D565 PolarHBondContact O-N 3.45Å; D565-S568 PolarHBondContact O-N 2.92Å; D565-K569 WeakPolarHBondContact O-CG 3.44Å; D565-K569 PolarHBondContact O-N 3.44Å; D565-K569 VanDerWaalsContact O-N 3.14Å
566	L	89.3	Confident	89.5	Confident	66 Å²	66	70.2 Å²	70.2	35%	0.346	35%	0.352	S	S	.	.	H	α-helix	trans	-64.9	-41.6	168.4	-176.8	62.7	0	0	0	112.3	L450 K562 F563 R564 K569 L570	L450-L566 HydrophobicContact CD2-CD2 3.44Å; L450-L566 VanDerWaalsContact CD2-CD2 3.44Å; L450-L566 HydrophobicContact CD2-CG 3.97Å; K562-L566 WeakPolarHBondContact O-CB 3.19Å; K562-L566 PolarHBondContact O-N 3.31Å; K562-L566 VanDerWaalsContact O-N 3.16Å; F563-L566 HydrophobicContact CD1-CD2 4.11Å; F563-L566 HydrophobicContact CE1-CD2 4.18Å; F563-L566 PolarHBondContact O-N 3.26Å; R564-L566 VanDerWaalsContact C-N 3.35Å; L566-K569 PolarHBondContact O-N 2.92Å; L566-L570 HydrophobicContact CG-CD1 4.26Å; L566-L570 WeakPolarHBondContact O-CG 3.22Å; L566-L570 PolarHBondContact O-N 3.06Å; L566-L570 VanDerWaalsContact O-N 3.15Å
567	I	90.1	Very high	89.6	Confident	14 Å²	14	66.4 Å²	66.4	7%	0.072	33%	0.328	C	S	.	.	H	α-helix	trans	-65.8	-41.2	175.5	-69.6	165.4	0	0	0	110.7	E415 A416 L446 F563 R564 K569 L570 E571	E415-I567 HydrophobicContact CB-CD1 4.05Å; A416-I567 VanDerWaalsContact CA-CD1 3.47Å; A416-I567 HydrophobicContact CB-CD1 3.93Å; L446-I567 HydrophobicContact CD1-CG1 4.15Å; L446-I567 HydrophobicContact CD1-CG2 4.1Å; L446-I567 HydrophobicContact CD2-CD1 4.06Å; L446-I567 HydrophobicContact CD2-CG1 4.08Å; L446-I567 HydrophobicContact CD2-CG2 4.28Å; L446-I567 HydrophobicContact CG-CG1 4.49Å; F563-I567 WeakPolarHBondContact O-CB 3.36Å; F563-I567 WeakPolarHBondContact O-CD1 3.25Å; F563-I567 WeakPolarHBondContact O-CG1 3.15Å; F563-I567 PolarHBondContact O-N 2.94Å; R564-I567 PolarHBondContact O-N 3.33Å; I567-K569 VanDerWaalsContact C-N 3.29Å; I567-K569 PolarHBondContact O-N 3.07Å; I567-L570 CarbonylContact O-C 3.57Å; I567-L570 WeakPolarHBondContact O-CA 3.48Å; I567-L570 WeakPolarHBondContact O-CB 3.47Å; I567-L570 PolarHBondContact O-N 2.83Å; I567-E571 PolarHBondContact O-N 2.86Å
568	S	91.1	Very high	89.7	Confident	89 Å²	89	66.2 Å²	66.2	62%	0.622	32%	0.323	S	S	*	.	H	α-helix	trans	-57	-41.4	173.6	-175.7	0	0	0	0	112.1	R564 D565 L570 E571	R564-S568 PolarHBondContact O-N 2.78Å; D565-S568 PolarHBondContact O-N 2.92Å; S568-L570 PolarHBondContact O-N 3.05Å; S568-E571 PolarHBondContact O-N 2.98Å
569	K	91.2	Very high	89.8	Confident	153 Å²	153	65.7 Å²	65.7	67%	0.665	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-14.8	172.6	-70.1	-177.7	179.8	-170.1	0	114.6	R95 D565 L566 I567	R95-K569 PolarHBondContact NH1-O 2.72Å; D565-K569 WeakPolarHBondContact O-CG 3.44Å; D565-K569 PolarHBondContact O-N 3.44Å; D565-K569 VanDerWaalsContact O-N 3.14Å; L566-K569 PolarHBondContact O-N 2.92Å; I567-K569 VanDerWaalsContact C-N 3.29Å; I567-K569 PolarHBondContact O-N 3.07Å
570	L	89.8	Confident	89.8	Confident	9 Å²	9	68.9 Å²	68.9	5%	0.047	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-12.5	178.1	-74.3	168.1	0	0	0	112.9	L446 L449 L450 L566 I567 S568 K572 D573 V574	L446-L570 HydrophobicContact CD1-CB 4.24Å; L446-L570 HydrophobicContact CD1-CD1 4.34Å; L449-L570 HydrophobicContact CB-CD2 4.06Å; L450-L570 HydrophobicContact CD2-CD1 3.63Å; L450-L570 HydrophobicContact CG-CD1 3.96Å; L566-L570 HydrophobicContact CG-CD1 4.26Å; L566-L570 WeakPolarHBondContact O-CG 3.22Å; L566-L570 PolarHBondContact O-N 3.06Å; L566-L570 VanDerWaalsContact O-N 3.15Å; I567-L570 CarbonylContact O-C 3.57Å; I567-L570 WeakPolarHBondContact O-CA 3.48Å; I567-L570 WeakPolarHBondContact O-CB 3.47Å; I567-L570 PolarHBondContact O-N 2.83Å; S568-L570 PolarHBondContact O-N 3.05Å; L570-K572 VanDerWaalsContact C-N 3.29Å; L570-K572 PolarHBondContact O-N 3.37Å; L570-D573 WeakPolarHBondContact O-CA 3.42Å; L570-D573 WeakPolarHBondContact O-CB 3.32Å; L570-D573 PolarHBondContact O-N 3.43Å; L570-V574 WeakPolarHBondContact O-CG2 3.42Å; L570-V574 PolarHBondContact O-N 2.95Å
571	E	90.4	Very high	89.7	Confident	57 Å²	57	69.8 Å²	69.8	27%	0.266	34%	0.338	S	S	.	.	H	α-helix	trans	-58.4	-41.4	-174.5	-165.5	62.4	-144.1	0	0	111.7	R442 I567 S568 D573 V574 E575	R442-E571 IonicContact CZ-OE1 3.42Å; R442-E571 IonicContact CZ-OE2 2.7Å; R442-E571 IonicContact NH1-OE1 2.66Å; R442-E571 PolarHBondContact NH1-OE1 3.35Å; R442-E571 IonicContact NH1-OE2 3.81Å; R442-E571 PolarHBondContact NH1-OE2 3.12Å; R442-E571 IonicContact NH2-OE1 3.28Å; R442-E571 IonicContact NH2-OE2 3.3Å; R442-E571 PolarHBondContact NH2-OE2 3.01Å; I567-E571 PolarHBondContact O-N 2.86Å; S568-E571 PolarHBondContact O-N 2.98Å; E571-D573 VanDerWaalsContact C-N 3.33Å; E571-D573 PolarHBondContact O-N 3.24Å; E571-V574 PolarHBondContact O-N 2.68Å; E571-E575 WeakPolarHBondContact O-CG 3.33Å; E571-E575 PolarHBondContact O-N 3.16Å
572	K	90.9	Very high	89.6	Confident	173 Å²	173	73 Å²	73	75%	0.752	35%	0.346	S	S	*	.	H	α-helix	trans	-60.2	-38.3	173.4	-63.1	-177.8	179.5	-179.4	0	113	L570 A576	L570-K572 VanDerWaalsContact C-N 3.29Å; L570-K572 PolarHBondContact O-N 3.37Å; K572-A576 WeakPolarHBondContact O-CB 3.07Å; K572-A576 PolarHBondContact O-N 3.14Å
573	D	89.6	Confident	89.5	Confident	22 Å²	22	70.3 Å²	70.3	12%	0.118	34%	0.336	C	S	.	.	H	α-helix	trans	-70.1	-40.1	177	-64.7	-42	0	0	0	110.9	V91 R95 L449 L570 E571 A576 V577	V91-D573 HydrophobicContact CG1-CB 3.9Å; R95-D573 VanDerWaalsContact CD-OD2 3.29Å; R95-D573 WeakPolarHBondContact CD-OD2 3.23Å; R95-D573 IonicContact CZ-OD2 3.35Å; R95-D573 IonicContact NE-OD2 2.74Å; R95-D573 IonicContact NH1-OD2 3.44Å; R95-D573 PolarHBondContact NH1-OD2 2.81Å; L449-D573 HydrophobicContact CD1-CB 3.78Å; L449-D573 HydrophobicContact CD2-CB 4.18Å; L570-D573 WeakPolarHBondContact O-CA 3.42Å; L570-D573 WeakPolarHBondContact O-CB 3.32Å; L570-D573 PolarHBondContact O-N 3.43Å; E571-D573 VanDerWaalsContact C-N 3.33Å; E571-D573 PolarHBondContact O-N 3.24Å; D573-A576 PolarHBondContact O-N 2.91Å; D573-V577 WeakPolarHBondContact O-CG2 3.46Å; D573-V577 PolarHBondContact O-N 3.44Å
574	V	89.7	Confident	89.3	Confident	2 Å²	2	71.7 Å²	71.7	1%	0.012	34%	0.342	C	S	.	.	H	α-helix	trans	-62.7	-47.7	175.1	175.2	0	0	0	0	110.4	R442 I445 L446 L449 L570 E571 A576 V577 M578	R442-V574 HydrophobicContact CG-CG1 4.43Å; I445-V574 HydrophobicContact CG2-CB 4.42Å; I445-V574 HydrophobicContact CG2-CG1 4.27Å; I445-V574 HydrophobicContact CG2-CG2 4.22Å; L446-V574 HydrophobicContact CB-CG2 4.48Å; L446-V574 HydrophobicContact CD1-CG2 3.87Å; L449-V574 HydrophobicContact CD1-CB 4.48Å; L449-V574 HydrophobicContact CD1-CG2 3.63Å; L570-V574 WeakPolarHBondContact O-CG2 3.42Å; L570-V574 PolarHBondContact O-N 2.95Å; E571-V574 PolarHBondContact O-N 2.68Å; V574-A576 VanDerWaalsContact C-N 3.33Å; V574-A576 PolarHBondContact O-N 3.25Å; V574-V577 PolarHBondContact O-N 3.34Å; V574-M578 HydrophobicContact CG1-CG 4.29Å; V574-M578 WeakPolarHBondContact O-CB 3.39Å; V574-M578 WeakPolarHBondContact O-CG 3.29Å; V574-M578 PolarHBondContact O-N 2.93Å
575	E	90.3	Very high	89	Confident	125 Å²	125	70.8 Å²	70.8	58%	0.584	34%	0.339	S	S	*	.	H	α-helix	trans	-61	-39.9	176.5	-73.1	-172	151.8	0	0	112.2	E571 M578 K579	E571-E575 WeakPolarHBondContact O-CG 3.33Å; E571-E575 PolarHBondContact O-N 3.16Å; E575-M578 PolarHBondContact O-N 2.8Å; E575-K579 WeakPolarHBondContact O-CB 3.45Å; E575-K579 PolarHBondContact O-N 2.77Å
576	A	89.8	Confident	88.9	Confident	41 Å²	41	73.3 Å²	73.3	34%	0.339	35%	0.349	S	S	.	.	H	α-helix	trans	-62.9	-45.9	175.4	0	0	0	0	0	112.4	K572 D573 V574 K579 L580	K572-A576 WeakPolarHBondContact O-CB 3.07Å; K572-A576 PolarHBondContact O-N 3.14Å; D573-A576 PolarHBondContact O-N 2.91Å; V574-A576 VanDerWaalsContact C-N 3.33Å; V574-A576 PolarHBondContact O-N 3.25Å; A576-K579 PolarHBondContact O-N 3.41Å; A576-L580 WeakPolarHBondContact O-CG 3.36Å; A576-L580 PolarHBondContact O-N 3.15Å
577	V	89.2	Confident	88.8	Confident	0 Å²	0	75.4 Å²	75.4	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-62.7	-44.8	175	176.6	0	0	0	0	110.9	L84 I88 V91 I445 D573 V574 K579 L580 E581	L84-V577 HydrophobicContact CD1-CG1 4.27Å; I88-V577 HydrophobicContact CG1-CG1 4.35Å; V91-V577 HydrophobicContact CB-CG2 4.21Å; V91-V577 HydrophobicContact CG1-CG2 4.49Å; V91-V577 HydrophobicContact CG2-CG2 3.75Å; I445-V577 HydrophobicContact CD1-CB 4.42Å; I445-V577 HydrophobicContact CD1-CG1 3.79Å; I445-V577 HydrophobicContact CG1-CG1 3.95Å; I445-V577 HydrophobicContact CG2-CB 3.92Å; I445-V577 HydrophobicContact CG2-CG1 3.96Å; I445-V577 HydrophobicContact CG2-CG2 4.23Å; D573-V577 WeakPolarHBondContact O-CG2 3.46Å; D573-V577 PolarHBondContact O-N 3.44Å; V574-V577 PolarHBondContact O-N 3.34Å; V577-K579 VanDerWaalsContact C-N 3.27Å; V577-K579 PolarHBondContact O-N 2.89Å; V577-L580 PolarHBondContact O-N 3.32Å; V577-E581 WeakPolarHBondContact O-CB 3.37Å; V577-E581 PolarHBondContact O-N 3.35Å
578	M	88.2	Confident	88.5	Confident	61 Å²	61	76.5 Å²	76.5	30%	0.3	37%	0.369	S	S	.	.	H	α-helix	trans	-62.1	-32	177.3	-72.4	-71.7	-61.2	0	0	112.9	I445 V574 E575 R582	I445-M578 HydrophobicContact CD1-CG 3.97Å; I445-M578 HydrophobicContact CD1-SD 3.55Å; I445-M578 VanDerWaalsContact CD1-SD 3.55Å; V574-M578 HydrophobicContact CG1-CG 4.29Å; V574-M578 WeakPolarHBondContact O-CB 3.39Å; V574-M578 WeakPolarHBondContact O-CG 3.29Å; V574-M578 PolarHBondContact O-N 2.93Å; E575-M578 PolarHBondContact O-N 2.8Å; M578-R582 PolarHBondContact O-N 3.4Å
579	K	89.7	Confident	88.3	Confident	117 Å²	117	74.3 Å²	74.3	51%	0.509	36%	0.356	S	S	.	.	H	α-helix	trans	-71.2	-49.1	174.8	-173.3	177.8	175.6	-175.6	0	111.1	E575 A576 V577 E581 R582 E583	E575-K579 WeakPolarHBondContact O-CB 3.45Å; E575-K579 PolarHBondContact O-N 2.77Å; A576-K579 PolarHBondContact O-N 3.41Å; V577-K579 VanDerWaalsContact C-N 3.27Å; V577-K579 PolarHBondContact O-N 2.89Å; K579-E581 PolarHBondContact O-N 2.76Å; K579-R582 WeakPolarHBondContact O-CB 3.19Å; K579-R582 PolarHBondContact O-N 2.67Å; K579-R582 VanDerWaalsContact O-N 3.13Å; K579-E583 WeakPolarHBondContact CE-OE1 3.4Å; K579-E583 WeakPolarHBondContact CG-OE1 3.44Å; K579-E583 WeakPolarHBondContact O-CG 3.48Å; K579-E583 PolarHBondContact O-N 3.09Å
580	L	87.9	Confident	88.1	Confident	82 Å²	82	69.1 Å²	69.1	43%	0.429	34%	0.34	S	S	.	.	H	α-helix	trans	-62.8	-26.5	176.4	-67.5	168.5	0	0	0	113.4	K87 A576 V577 E584	K87-L580 PolarHBondContact NZ-O 2.72Å; A576-L580 WeakPolarHBondContact O-CG 3.36Å; A576-L580 PolarHBondContact O-N 3.15Å; V577-L580 PolarHBondContact O-N 3.32Å; L580-E584 PolarHBondContact O-N 2.82Å
581	E	86.4	Confident	88.1	Confident	34 Å²	34	74.5 Å²	74.5	16%	0.159	36%	0.364	C	S	.	.	H	α-helix	trans	-81.4	-30.2	176.1	-159	-92.8	168.7	0	0	112.4	L84 H441 V577 K579 R585	L84-E581 HydrophobicContact CD1-CG 4.37Å; H441-E581 IonicContact CE1-OE1 3.09Å; H441-E581 IonicContact NE2-OE1 2.73Å; H441-E581 IonicContact NE2-OE2 3.31Å; V577-E581 WeakPolarHBondContact O-CB 3.37Å; V577-E581 PolarHBondContact O-N 3.35Å; K579-E581 PolarHBondContact O-N 2.76Å; E581-R585 WeakPolarHBondContact O-CB 3.03Å; E581-R585 PolarHBondContact O-N 2.95Å; E581-R585 PolarHBondContact O-NH1 3.39Å; E581-R585 IonicContact OE1-CZ 3.84Å; E581-R585 IonicContact OE1-NH1 2.82Å; E581-R585 PolarHBondContact OE1-NH1 3.27Å; E581-R585 IonicContact OE1-NH2 3.98Å; E581-R585 PolarHBondContact OE1-NH2 2.88Å; E581-R585 IonicContact OE2-CZ 2.68Å; E581-R585 IonicContact OE2-NH1 2.8Å; E581-R585 PolarHBondContact OE2-NH1 2.76Å; E581-R585 IonicContact OE2-NH2 3.37Å
582	R	86.4	Confident	87.8	Confident	126 Å²	126	74.4 Å²	74.4	48%	0.475	37%	0.374	S	S	.	.	H	α-helix	trans	-68.9	-48.8	167.4	-172.8	-177.2	-54.1	107.8	8	112.1	M578 K579 E584 R585 E586	M578-R582 PolarHBondContact O-N 3.4Å; K579-R582 WeakPolarHBondContact O-CB 3.19Å; K579-R582 PolarHBondContact O-N 2.67Å; K579-R582 VanDerWaalsContact O-N 3.13Å; R582-E584 PolarHBondContact O-N 3.29Å; R582-R585 PolarHBondContact O-N 3.36Å; R582-R585 VanDerWaalsContact O-N 3.14Å; R582-E586 WeakPolarHBondContact CD-OE1 3.44Å; R582-E586 HydrophobicContact CG-CG 4.45Å; R582-E586 WeakPolarHBondContact CG-OE1 3.46Å; R582-E586 WeakPolarHBondContact O-CG 3.35Å; R582-E586 PolarHBondContact O-N 3.16Å
583	E	88	Confident	87.6	Confident	83 Å²	83	73.5 Å²	73.5	39%	0.388	37%	0.37	S	S	.	.	H	α-helix	trans	-61	-44.8	-177.8	-72	165.4	167.8	0	0	111.9	K579 R585 E586 M587	K579-E583 WeakPolarHBondContact CE-OE1 3.4Å; K579-E583 WeakPolarHBondContact CG-OE1 3.44Å; K579-E583 WeakPolarHBondContact O-CG 3.48Å; K579-E583 PolarHBondContact O-N 3.09Å; E583-R585 PolarHBondContact O-N 3.38Å; E583-E586 PolarHBondContact O-N 2.84Å; E583-M587 WeakPolarHBondContact O-CG 3.47Å; E583-M587 PolarHBondContact O-N 3.5Å
584	E	86	Confident	87.5	Confident	60 Å²	60	78 Å²	78	28%	0.28	39%	0.393	S	S	.	.	H	α-helix	trans	-63.6	-39.3	174	-170.9	-173.1	-133.6	0	0	112	L81 T82 K87 L580 R582 M587 A588	L81-E584 HydrophobicContact CD2-CG 4.45Å; T82-E584 PolarHBondContact OG1-OE1 2.97Å; K87-E584 VanDerWaalsContact CE-OE2 3.29Å; K87-E584 WeakPolarHBondContact CE-OE2 3.36Å; K87-E584 IonicContact NZ-OE2 2.79Å; K87-E584 PolarHBondContact NZ-OE2 3.03Å; L580-E584 PolarHBondContact O-N 2.82Å; R582-E584 PolarHBondContact O-N 3.29Å; E584-M587 PolarHBondContact O-N 3Å; E584-A588 VanDerWaalsContact O-CB 3.32Å; E584-A588 WeakPolarHBondContact O-CB 3.38Å; E584-A588 PolarHBondContact O-N 3.49Å
585	R	84.3	Confident	87.3	Confident	104 Å²	104	80 Å²	80	39%	0.392	41%	0.407	S	S	.	.	H	α-helix	trans	-67	-36.4	177.9	-172.7	-168.6	-93.8	82.7	-10.2	111.8	E460 E581 R582 E583 A589	E460-R585 IonicContact OE1-CZ 2.68Å; E460-R585 IonicContact OE1-NE 3.76Å; E460-R585 IonicContact OE1-NH2 3.66Å; E460-R585 PolarHBondContact OE1-NH2 3.39Å; E581-R585 WeakPolarHBondContact O-CB 3.03Å; E581-R585 PolarHBondContact O-N 2.95Å; E581-R585 PolarHBondContact O-NH1 3.39Å; E581-R585 IonicContact OE1-CZ 3.84Å; E581-R585 IonicContact OE1-NH1 2.82Å; E581-R585 PolarHBondContact OE1-NH1 3.27Å; E581-R585 IonicContact OE1-NH2 3.98Å; E581-R585 PolarHBondContact OE1-NH2 2.88Å; E581-R585 IonicContact OE2-CZ 2.68Å; E581-R585 IonicContact OE2-NH1 2.8Å; E581-R585 PolarHBondContact OE2-NH1 2.76Å; E581-R585 IonicContact OE2-NH2 3.37Å; R582-R585 PolarHBondContact O-N 3.36Å; R582-R585 VanDerWaalsContact O-N 3.14Å; E583-R585 PolarHBondContact O-N 3.38Å; R585-A589 WeakPolarHBondContact O-CB 3.46Å; R585-A589 PolarHBondContact O-N 2.91Å
586	E	88.4	Confident	87	Confident	121 Å²	121	77.7 Å²	77.7	57%	0.565	40%	0.402	S	S	*	.	H	α-helix	trans	-70.9	-40.8	175.9	-74.5	173.9	-165.7	0	0	111.9	R582 E583 A589 S590	R582-E586 WeakPolarHBondContact CD-OE1 3.44Å; R582-E586 HydrophobicContact CG-CG 4.45Å; R582-E586 WeakPolarHBondContact CG-OE1 3.46Å; R582-E586 WeakPolarHBondContact O-CG 3.35Å; R582-E586 PolarHBondContact O-N 3.16Å; E583-E586 PolarHBondContact O-N 2.84Å; E586-A589 PolarHBondContact O-N 2.83Å; E586-S590 PolarHBondContact O-N 2.89Å
587	M	86.5	Confident	86.8	Confident	111 Å²	111	78.2 Å²	78.2	55%	0.547	41%	0.406	S	S	.	.	H	α-helix	trans	-63	-50.5	172.1	-72.7	-61.9	-66.2	0	0	112.1	E583 E584 A589 S590 E591	E583-M587 WeakPolarHBondContact O-CG 3.47Å; E583-M587 PolarHBondContact O-N 3.5Å; E584-M587 PolarHBondContact O-N 3Å; M587-A589 PolarHBondContact O-N 2.82Å; M587-S590 PolarHBondContact O-N 3.02Å; M587-S590 PolarHBondContact O-OG 3.23Å; M587-E591 WeakPolarHBondContact O-CG 3.46Å; M587-E591 PolarHBondContact O-N 3.31Å
588	A	85.3	Confident	86.7	Confident	36 Å²	36	83.4 Å²	83.4	30%	0.298	43%	0.43	S	S	.	.	H	α-helix	trans	-60	-32.6	176.6	0	0	0	0	0	112.4	E584 A592	E584-A588 VanDerWaalsContact O-CB 3.32Å; E584-A588 WeakPolarHBondContact O-CB 3.38Å; E584-A588 PolarHBondContact O-N 3.49Å; A588-A592 VanDerWaalsContact O-CB 3.25Å; A588-A592 WeakPolarHBondContact O-CB 3.3Å; A588-A592 PolarHBondContact O-N 3.47Å
589	A	85.9	Confident	86.3	Confident	43 Å²	43	85.9 Å²	85.9	36%	0.355	44%	0.439	S	S	.	.	H	α-helix	trans	-74.5	-24	174.3	0	0	0	0	0	113.8	R585 E586 M587 K593	R585-A589 WeakPolarHBondContact O-CB 3.46Å; R585-A589 PolarHBondContact O-N 2.91Å; E586-A589 PolarHBondContact O-N 2.83Å; M587-A589 PolarHBondContact O-N 2.82Å; A589-K593 VanDerWaalsContact O-CD 3.28Å; A589-K593 WeakPolarHBondContact O-CD 3.19Å; A589-K593 WeakPolarHBondContact O-CE 3.3Å; A589-K593 VanDerWaalsContact O-CG 3.23Å; A589-K593 WeakPolarHBondContact O-CG 3.26Å
590	S	87.9	Confident	85.9	Confident	45 Å²	45	89.5 Å²	89.5	32%	0.315	45%	0.449	S	S	.	.	H	α-helix	trans	-80.1	-45.7	172.5	80.2	0	0	0	0	110.8	E586 M587 A592 K593 L594	E586-S590 PolarHBondContact O-N 2.89Å; M587-S590 PolarHBondContact O-N 3.02Å; M587-S590 PolarHBondContact O-OG 3.23Å; S590-A592 VanDerWaalsContact C-N 3.33Å; S590-A592 PolarHBondContact O-N 3.03Å; S590-K593 WeakPolarHBondContact O-CB 3.35Å; S590-K593 PolarHBondContact O-N 3.26Å; S590-K593 VanDerWaalsContact O-N 3.1Å; S590-L594 WeakPolarHBondContact O-CG 3.39Å; S590-L594 PolarHBondContact O-N 3.47Å
591	E	88.8	Confident	85.5	Confident	121 Å²	121	93.2 Å²	93.2	57%	0.565	47%	0.469	S	S	*	.	H	α-helix	trans	-56	-44	173.1	-70.5	178.4	-179	0	0	112.2	M587 K593 L594 S595	M587-E591 WeakPolarHBondContact O-CG 3.46Å; M587-E591 PolarHBondContact O-N 3.31Å; E591-K593 VanDerWaalsContact C-N 3.34Å; E591-K593 PolarHBondContact O-N 3.01Å; E591-L594 PolarHBondContact O-N 3.34Å; E591-S595 WeakPolarHBondContact O-CB 3.35Å; E591-S595 PolarHBondContact O-N 2.92Å
592	A	84	Confident	85.1	Confident	56 Å²	56	97 Å²	97	46%	0.463	49%	0.487	S	S	.	.	H	α-helix	trans	-62.2	-39.2	176.7	0	0	0	0	0	112.5	A588 S590 V596	A588-A592 VanDerWaalsContact O-CB 3.25Å; A588-A592 WeakPolarHBondContact O-CB 3.3Å; A588-A592 PolarHBondContact O-N 3.47Å; S590-A592 VanDerWaalsContact C-N 3.33Å; S590-A592 PolarHBondContact O-N 3.03Å; A592-V596 WeakPolarHBondContact O-CG2 3.35Å; A592-V596 PolarHBondContact O-N 3.27Å; A592-V596 VanDerWaalsContact O-N 3.14Å
593	K	87.1	Confident	83.8	Confident	153 Å²	153	94 Å²	94	67%	0.665	49%	0.494	S	S	*	.	H	α-helix	trans	-67.3	-43.4	175	-70.2	165.2	-170.6	170.7	0	111.2	A589 S590 E591 V596 A597	A589-K593 VanDerWaalsContact O-CD 3.28Å; A589-K593 WeakPolarHBondContact O-CD 3.19Å; A589-K593 WeakPolarHBondContact O-CE 3.3Å; A589-K593 VanDerWaalsContact O-CG 3.23Å; A589-K593 WeakPolarHBondContact O-CG 3.26Å; S590-K593 WeakPolarHBondContact O-CB 3.35Å; S590-K593 PolarHBondContact O-N 3.26Å; S590-K593 VanDerWaalsContact O-N 3.1Å; E591-K593 VanDerWaalsContact C-N 3.34Å; E591-K593 PolarHBondContact O-N 3.01Å; K593-V596 PolarHBondContact O-N 2.88Å; K593-A597 WeakPolarHBondContact O-CB 3.35Å; K593-A597 PolarHBondContact O-N 2.98Å
594	L	87.4	Confident	81.9	Confident	117 Å²	117	93.4 Å²	93.4	61%	0.613	50%	0.5	S	S	*	.	H	α-helix	trans	-61.5	-44.9	176.6	-70.3	170.9	0	0	0	111.3	S590 E591 V596 A597 Q598	S590-L594 WeakPolarHBondContact O-CG 3.39Å; S590-L594 PolarHBondContact O-N 3.47Å; E591-L594 PolarHBondContact O-N 3.34Å; L594-V596 VanDerWaalsContact C-N 3.31Å; L594-V596 PolarHBondContact O-N 3.46Å; L594-A597 PolarHBondContact O-N 2.86Å; L594-Q598 VanDerWaalsContact O-CB 3.32Å; L594-Q598 WeakPolarHBondContact O-CB 3.25Å; L594-Q598 PolarHBondContact O-N 2.89Å
595	S	85.9	Confident	80.1	Confident	45 Å²	45	93.9 Å²	93.9	32%	0.315	51%	0.514	S	S	.	.	H	α-helix	trans	-62.7	-35.3	176.2	-171.2	0	0	0	0	112.9	E591 K599	E591-S595 WeakPolarHBondContact O-CB 3.35Å; E591-S595 PolarHBondContact O-N 2.92Å; S595-K599 WeakPolarHBondContact O-CB 3.33Å; S595-K599 WeakPolarHBondContact O-CD 3.36Å; S595-K599 VanDerWaalsContact O-CG 3.31Å; S595-K599 WeakPolarHBondContact O-CG 3.4Å; S595-K599 PolarHBondContact O-N 3.06Å; S595-K599 VanDerWaalsContact O-N 3.16Å; S595-K599 PolarHBondContact OG-NZ 3.41Å; S595-K599 VanDerWaalsContact OG-NZ 3.11Å
596	V	83.9	Confident	78.1	Confident	76 Å²	76	92.7 Å²	92.7	46%	0.461	52%	0.521	S	S	.	.	H	α-helix	trans	-72.4	-37.7	174.3	170.4	0	0	0	0	111.7	A592 K593 L594 R600	A592-V596 WeakPolarHBondContact O-CG2 3.35Å; A592-V596 PolarHBondContact O-N 3.27Å; A592-V596 VanDerWaalsContact O-N 3.14Å; K593-V596 PolarHBondContact O-N 2.88Å; L594-V596 VanDerWaalsContact C-N 3.31Å; L594-V596 PolarHBondContact O-N 3.46Å; V596-R600 WeakPolarHBondContact O-CG 3.29Å; V596-R600 PolarHBondContact O-N 3.46Å
597	A	85.1	Confident	75.9	Confident	51 Å²	51	93.3 Å²	93.3	42%	0.421	54%	0.539	S	S	.	.	H	α-helix	trans	-66.2	-45.8	174.9	0	0	0	0	0	111.6	K593 L594 K599 R600 L601	K593-A597 WeakPolarHBondContact O-CB 3.35Å; K593-A597 PolarHBondContact O-N 2.98Å; L594-A597 PolarHBondContact O-N 2.86Å; A597-K599 PolarHBondContact O-N 2.89Å; A597-R600 WeakPolarHBondContact O-CB 3.41Å; A597-R600 PolarHBondContact O-N 3Å; A597-R600 VanDerWaalsContact O-N 3.13Å; A597-L601 PolarHBondContact O-N 3.21Å
598	Q	86.6	Confident	73.9	Confident	109 Å²	109	92.3 Å²	92.3	51%	0.509	54%	0.543	S	S	.	.	H	α-helix	trans	-56.6	-50.2	176.2	178.9	175.8	1.5	0	0	111.6	L594 R600 L601 E602	L594-Q598 VanDerWaalsContact O-CB 3.32Å; L594-Q598 WeakPolarHBondContact O-CB 3.25Å; L594-Q598 PolarHBondContact O-N 2.89Å; Q598-R600 PolarHBondContact O-N 3.16Å; Q598-L601 WeakPolarHBondContact O-CA 3.47Å; Q598-L601 WeakPolarHBondContact O-CB 3.27Å; Q598-L601 PolarHBondContact O-N 3.43Å; Q598-E602 VanDerWaalsContact CG-CD 3.46Å; Q598-E602 HydrophobicContact CG-CG 4.13Å; Q598-E602 WeakPolarHBondContact CG-OE1 3.5Å; Q598-E602 PolarHBondContact NE2-OE1 3.03Å; Q598-E602 WeakPolarHBondContact O-CG 3.31Å; Q598-E602 PolarHBondContact O-N 3.41Å
599	K	81.3	Confident	72.1	Confident	113 Å²	113	97.3 Å²	97.3	49%	0.491	56%	0.564	S	S	.	*	H	α-helix	trans	-63.3	-23.3	177.5	-73.5	166.5	-178.4	152.8	0	114.5	S595 A597 S604	S595-K599 WeakPolarHBondContact O-CB 3.33Å; S595-K599 WeakPolarHBondContact O-CD 3.36Å; S595-K599 VanDerWaalsContact O-CG 3.31Å; S595-K599 WeakPolarHBondContact O-CG 3.4Å; S595-K599 PolarHBondContact O-N 3.06Å; S595-K599 VanDerWaalsContact O-N 3.16Å; S595-K599 PolarHBondContact OG-NZ 3.41Å; S595-K599 VanDerWaalsContact OG-NZ 3.11Å; A597-K599 PolarHBondContact O-N 2.89Å; K599-S604 PolarHBondContact O-OG 3.14Å
600	R	80.2	Confident	70.7	Confident	193 Å²	193	99.8 Å²	99.8	73%	0.728	58%	0.58	S	S	*	*	H	α-helix	trans	-79.7	-31.7	170.8	-71.9	171.5	175.6	-168.9	-1.9	112.1	V596 A597 Q598	V596-R600 WeakPolarHBondContact O-CG 3.29Å; V596-R600 PolarHBondContact O-N 3.46Å; A597-R600 WeakPolarHBondContact O-CB 3.41Å; A597-R600 PolarHBondContact O-N 3Å; A597-R600 VanDerWaalsContact O-N 3.13Å; Q598-R600 PolarHBondContact O-N 3.16Å
601	L	79.9	Confident	69.4	Low	160 Å²	160	106.5 Å²	106.5	84%	0.838	61%	0.606	S	S	*	*	H	α-helix	trans	-76.2	-40.3	178.4	-135.4	84.1	0	0	0	112.5	A597 Q598 G603	A597-L601 PolarHBondContact O-N 3.21Å; Q598-L601 WeakPolarHBondContact O-CA 3.47Å; Q598-L601 WeakPolarHBondContact O-CB 3.27Å; Q598-L601 PolarHBondContact O-N 3.43Å; L601-G603 PolarHBondContact O-N 2.85Å; L601-G603 VanDerWaalsContact O-N 3.16Å
602	E	78.6	Confident	68.3	Low	115 Å²	115	105.6 Å²	105.6	54%	0.537	60%	0.597	S	S	.	*	S	Bend	trans	-72.5	-0.5	-175.3	-72.1	172	163.3	0	0	114.4	Q598 S604	Q598-E602 VanDerWaalsContact CG-CD 3.46Å; Q598-E602 HydrophobicContact CG-CG 4.13Å; Q598-E602 WeakPolarHBondContact CG-OE1 3.5Å; Q598-E602 PolarHBondContact NE2-OE1 3.03Å; Q598-E602 WeakPolarHBondContact O-CG 3.31Å; Q598-E602 PolarHBondContact O-N 3.41Å; E602-S604 PolarHBondContact O-N 3.44Å
603	G	58.2	Low	67.8	Low	61 Å²	61	107.6 Å²	107.6	63%	0.629	60%	0.604	S	S	*	*	S	Bend	trans	67	-6.3	-176.3	0	0	0	0	0	115.2	L601 A605	L601-G603 PolarHBondContact O-N 2.85Å; L601-G603 VanDerWaalsContact O-N 3.16Å; G603-A605 PolarHBondContact O-N 2.84Å
604	S	49.1	Very low	67.3	Low	72 Å²	72	105.1 Å²	105.1	50%	0.503	59%	0.59	S	S	.	*			trans	-66.6	-4.1	178.3	62.8	0	0	0	0	114.3	K599 E602 S606	K599-S604 PolarHBondContact O-OG 3.14Å; E602-S604 PolarHBondContact O-N 3.44Å; S604-S606 PolarHBondContact O-N 2.97Å
605	A	47.2	Very low	66.7	Low	70 Å²	70	101.4 Å²	101.4	58%	0.579	57%	0.569	S	S	*	*			trans	-69	67.4	162.4	0	0	0	0	0	111.5	G603 S607	G603-A605 PolarHBondContact O-N 2.84Å; A605-S607 PolarHBondContact O-N 3.5Å
606	S	43	Very low	66.1	Low	78 Å²	78	100.8 Å²	100.8	55%	0.545	56%	0.561	S	S	.	*			trans	-51.9	134.4	170.5	56.6	0	0	0	0	110.6	S604 S608	S604-S606 PolarHBondContact O-N 2.97Å; S606-S608 PolarHBondContact O-N 2.89Å; S606-S608 PolarHBondContact OG-OG 3.28Å
607	S	42.2	Very low	65.8	Low	134 Å²	134	100.8 Å²	100.8	94%	0.937	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	10	-174.8	49.7	0	0	0	0	116	A605	A605-S607 PolarHBondContact O-N 3.5Å
608	S	43.7	Very low	65.1	Low	90 Å²	90	106.2 Å²	106.2	63%	0.629	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	-15.2	-178.5	57.9	0	0	0	0	115.2	S606 S610	S606-S608 PolarHBondContact O-N 2.89Å; S606-S608 PolarHBondContact OG-OG 3.28Å; S608-S610 PolarHBondContact O-N 3.2Å
609	D	49.2	Very low	64.4	Low	141 Å²	141	107.9 Å²	107.9	75%	0.754	59%	0.586	S	S	*	*			trans	-83.6	68.5	177.2	-151.9	36.5	0	0	0	109.6	Q611	D609-Q611 PolarHBondContact O-N 3.47Å
610	S	56.4	Low	64.2	Low	96 Å²	96	107.3 Å²	107.3	67%	0.671	59%	0.585	S	S	*	*			trans	-56.7	131.7	178.5	52.3	0	0	0	0	110.3	S608 R612	S608-S610 PolarHBondContact O-N 3.2Å; S610-R612 PolarHBondContact O-N 2.98Å
611	Q	59.3	Low	63.9	Low	185 Å²	185	102.9 Å²	102.9	86%	0.864	57%	0.568	S	S	*	*			trans	-59.7	114.6	-176.7	-70.7	-171.3	-3.3	0	0	110.2	D609 V613	D609-Q611 PolarHBondContact O-N 3.47Å; Q611-V613 PolarHBondContact O-N 2.96Å
612	R	66.3	Low	63.4	Low	102 Å²	102	102.4 Å²	102.4	39%	0.385	56%	0.559	S	S	.	*	P	Polyproline II helix	trans	-57.7	124.8	-178.7	-73.3	-173.4	175.4	-98.8	-24.3	111.1	L293 E297 D316 N320 S610	L293-R612 VanDerWaalsContact CD2-CZ 3.43Å; L293-R612 VanDerWaalsContact CD2-NH2 3.26Å; E297-R612 IonicContact OE1-CZ 3.19Å; E297-R612 IonicContact OE1-NH1 3.54Å; E297-R612 IonicContact OE1-NH2 3.77Å; E297-R612 PolarHBondContact OE1-NH2 3.1Å; D316-R612 IonicContact OD1-CZ 2.74Å; D316-R612 IonicContact OD1-NH1 3.27Å; D316-R612 PolarHBondContact OD1-NH1 3.4Å; N320-R612 HydrophobicContact CB-CG 4.19Å; N320-R612 VanDerWaalsContact OD1-CA 3.23Å; N320-R612 WeakPolarHBondContact OD1-CA 3.38Å; S610-R612 PolarHBondContact O-N 2.98Å
613	V	72.6	Confident	63.2	Low	99 Å²	99	103 Å²	103	60%	0.6	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-81.4	130.9	177.7	-175.7	0	0	0	0	108.2	N320 Q611	N320-V613 PolarHBondContact ND2-O 2.98Å; N320-V613 PolarHBondContact OD1-N 2.79Å; Q611-V613 PolarHBondContact O-N 2.96Å
614	W	77.3	Confident	63.8	Low	100 Å²	100	102.1 Å²	102.1	38%	0.379	55%	0.546	S	S	.	.	P	Polyproline II helix	trans	-93.2	143.9	168.7	-171.9	-109.4	0	0	0	109.1	G312 D316 Q616	G312-W614 WeakPolarHBondContact O-CH2 3.49Å; G312-W614 WeakPolarHBondContact O-CZ3 3.47Å; D316-W614 HydrophobicContact CB-CZ3 4.36Å; W614-Q616 PolarHBondContact O-N 2.81Å
615	F	73.9	Confident	64.9	Low	40 Å²	40	106 Å²	106	18%	0.175	55%	0.55	C	S	.	.	S	Bend	trans	-60.5	-9.8	-172.5	83.5	-71.3	0	0	0	116	I315 H319 Q348 E351	I315-F615 HydrophobicContact CD1-CD1 4.47Å; I315-F615 HydrophobicContact CD1-CE1 4.33Å; I315-F615 HydrophobicContact CD1-CZ 4.47Å; I315-F615 HydrophobicContact CG2-CB 3.65Å; I315-F615 HydrophobicContact CG2-CD1 3.56Å; I315-F615 HydrophobicContact CG2-CE1 4.36Å; I315-F615 HydrophobicContact CG2-CG 3.69Å; H319-F615 VanDerWaalsContact NE2-CB 3.25Å; H319-F615 WeakPolarHBondContact NE2-CB 3.31Å; Q348-F615 HydrophobicContact CG-CE1 4.05Å; Q348-F615 HydrophobicContact CG-CZ 3.92Å; E351-F615 HydrophobicContact CB-CD2 4.4Å; E351-F615 HydrophobicContact CB-CE2 4.29Å; E351-F615 HydrophobicContact CG-CD2 4.08Å; E351-F615 HydrophobicContact CG-CE2 4.46Å
616	Q	73.5	Confident	65.7	Low	31 Å²	31	105 Å²	105	15%	0.145	53%	0.534	C	S	.	.	S	Bend	trans	-135.7	137.8	172.9	-69.3	171.6	-16.1	0	0	109.1	E347 W614 R621	E347-Q616 PolarHBondContact OE2-NE2 3.27Å; E347-Q616 PolarHBondContact OE2-OE1 3.48Å; W614-Q616 PolarHBondContact O-N 2.81Å; Q616-R621 HydrophobicContact CB-CB 4.38Å; Q616-R621 VanDerWaalsContact OE1-CG 3.27Å
617	T	77.6	Confident	67.1	Low	76 Å²	76	104.9 Å²	104.9	47%	0.466	53%	0.533	S	S	.	.			trans	-66.6	160.6	160.3	64.8	0	0	0	0	110.9	Q619 E620 R621	T617-Q619 PolarHBondContact O-N 3.48Å; T617-Q619 PolarHBondContact OG1-N 2.9Å; T617-E620 VanDerWaalsContact CB-OE2 3.23Å; T617-E620 WeakPolarHBondContact CB-OE2 3.22Å; T617-E620 VanDerWaalsContact CG2-OE2 3.27Å; T617-E620 WeakPolarHBondContact CG2-OE2 3.34Å; T617-E620 PolarHBondContact N-OE2 3.31Å; T617-E620 PolarHBondContact O-N 3.43Å; T617-E620 WeakPolarHBondContact OG1-CG 3.44Å; T617-E620 PolarHBondContact OG1-N 3.43Å; T617-E620 VanDerWaalsContact OG1-N 3.1Å; T617-E620 PolarHBondContact OG1-OE2 2.79Å; T617-R621 PolarHBondContact O-N 3.3Å
618	Q	71.5	Confident	68.4	Low	165 Å²	165	102 Å²	102	77%	0.771	50%	0.504	S	S	*	.	H	α-helix	trans	-60.9	-24.1	171.7	-69.2	-166.9	8.1	0	0	112.9	K622	Q618-K622 WeakPolarHBondContact O-CG 3.22Å; Q618-K622 PolarHBondContact O-N 3.26Å
619	Q	70.8	Confident	69.5	Low	145 Å²	145	99.5 Å²	99.5	68%	0.678	49%	0.488	S	S	*	.	H	α-helix	trans	-76.2	-49.1	178.2	-65.9	-174.8	-3.3	0	0	111	T617 R621 K622 Q623	T617-Q619 PolarHBondContact O-N 3.48Å; T617-Q619 PolarHBondContact OG1-N 2.9Å; Q619-R621 VanDerWaalsContact C-N 3.31Å; Q619-R621 PolarHBondContact O-N 2.93Å; Q619-K622 WeakPolarHBondContact O-CB 3.5Å; Q619-K622 PolarHBondContact O-N 2.95Å; Q619-K622 VanDerWaalsContact O-N 3.1Å; Q619-Q623 WeakPolarHBondContact O-CG 3.45Å; Q619-Q623 PolarHBondContact O-N 2.61Å
620	E	77.5	Confident	70.4	Confident	100 Å²	100	93.8 Å²	93.8	47%	0.467	46%	0.458	S	S	.	.	H	α-helix	trans	-59.8	-41.3	174.8	-69.9	157.5	128	0	0	111.5	T617 K622 Q623 S624	T617-E620 VanDerWaalsContact CB-OE2 3.23Å; T617-E620 WeakPolarHBondContact CB-OE2 3.22Å; T617-E620 VanDerWaalsContact CG2-OE2 3.27Å; T617-E620 WeakPolarHBondContact CG2-OE2 3.34Å; T617-E620 PolarHBondContact N-OE2 3.31Å; T617-E620 PolarHBondContact O-N 3.43Å; T617-E620 WeakPolarHBondContact OG1-CG 3.44Å; T617-E620 PolarHBondContact OG1-N 3.43Å; T617-E620 VanDerWaalsContact OG1-N 3.1Å; T617-E620 PolarHBondContact OG1-OE2 2.79Å; E620-K622 VanDerWaalsContact C-N 3.3Å; E620-K622 PolarHBondContact O-N 2.78Å; E620-Q623 CarbonylContact O-C 3.58Å; E620-Q623 PolarHBondContact O-N 2.99Å; E620-Q623 VanDerWaalsContact O-N 3.11Å; E620-S624 PolarHBondContact O-N 3.11Å
621	R	73.8	Confident	70.9	Confident	101 Å²	101	96 Å²	96	38%	0.381	46%	0.458	S	S	.	.	H	α-helix	trans	-65.3	-30.9	176.4	-166.2	172.5	-177.3	-155.3	0.4	113.2	Q616 T617 Q619 R625	Q616-R621 HydrophobicContact CB-CB 4.38Å; Q616-R621 VanDerWaalsContact OE1-CG 3.27Å; T617-R621 PolarHBondContact O-N 3.3Å; Q619-R621 VanDerWaalsContact C-N 3.31Å; Q619-R621 PolarHBondContact O-N 2.93Å; R621-R625 VanDerWaalsContact O-CG 3.3Å; R621-R625 WeakPolarHBondContact O-CG 3.29Å; R621-R625 PolarHBondContact O-N 3.34Å
622	K	70.6	Confident	71.1	Confident	149 Å²	149	91.7 Å²	91.7	65%	0.648	44%	0.437	S	S	*	.	H	α-helix	trans	-68.7	-46.2	168.8	-77.7	177.9	178.1	-173.4	0	110.8	Q618 Q619 E620 S624 R625 M626	Q618-K622 WeakPolarHBondContact O-CG 3.22Å; Q618-K622 PolarHBondContact O-N 3.26Å; Q619-K622 WeakPolarHBondContact O-CB 3.5Å; Q619-K622 PolarHBondContact O-N 2.95Å; Q619-K622 VanDerWaalsContact O-N 3.1Å; E620-K622 VanDerWaalsContact C-N 3.3Å; E620-K622 PolarHBondContact O-N 2.78Å; K622-S624 PolarHBondContact O-N 2.93Å; K622-R625 PolarHBondContact O-N 3.43Å; K622-M626 WeakPolarHBondContact O-CG 3.49Å; K622-M626 PolarHBondContact O-N 2.75Å
623	Q	73.4	Confident	70.8	Confident	129 Å²	129	88.7 Å²	88.7	60%	0.603	43%	0.427	S	S	*	.	H	α-helix	trans	-62.2	-42	179.4	-69.1	175.4	11.6	0	0	112.6	Q619 E620 M626 S627	Q619-Q623 WeakPolarHBondContact O-CG 3.45Å; Q619-Q623 PolarHBondContact O-N 2.61Å; E620-Q623 CarbonylContact O-C 3.58Å; E620-Q623 PolarHBondContact O-N 2.99Å; E620-Q623 VanDerWaalsContact O-N 3.11Å; Q623-M626 PolarHBondContact O-N 3.22Å; Q623-S627 WeakPolarHBondContact O-CB 3.28Å; Q623-S627 PolarHBondContact O-N 3.45Å
624	S	71.9	Confident	70.3	Confident	42 Å²	42	84.8 Å²	84.8	29%	0.294	40%	0.403	S	S	.	.	H	α-helix	trans	-60	-48.3	175.7	-174.6	0	0	0	0	111.6	E347 E620 K622 M626 S627 K628	E347-S624 WeakPolarHBondContact OE1-CB 3.26Å; E347-S624 PolarHBondContact OE1-OG 3.05Å; E620-S624 PolarHBondContact O-N 3.11Å; K622-S624 PolarHBondContact O-N 2.93Å; S624-M626 VanDerWaalsContact C-N 3.33Å; S624-M626 PolarHBondContact O-N 3.13Å; S624-S627 WeakPolarHBondContact O-CB 3.22Å; S624-S627 PolarHBondContact O-N 3.13Å; S624-S627 VanDerWaalsContact O-N 3.16Å; S624-K628 PolarHBondContact O-N 3.22Å
625	R	70.3	Confident	69.5	Low	152 Å²	152	84.7 Å²	84.7	57%	0.574	41%	0.409	S	S	*	.	H	α-helix	trans	-61.3	-39.8	176.8	-69	178.1	79.2	-148.7	2.8	112.4	R621 K622 A629	R621-R625 VanDerWaalsContact O-CG 3.3Å; R621-R625 WeakPolarHBondContact O-CG 3.29Å; R621-R625 PolarHBondContact O-N 3.34Å; K622-R625 PolarHBondContact O-N 3.43Å; R625-A629 WeakPolarHBondContact O-CB 3.49Å; R625-A629 PolarHBondContact O-N 2.93Å
626	M	65.1	Low	68.8	Low	51 Å²	51	83.1 Å²	83.1	25%	0.251	40%	0.404	S	S	.	.	H	α-helix	trans	-64.8	-45.4	173.5	-67.6	-64.8	-82.5	0	0	111.4	K622 Q623 S624 K628 A629 L630 Q662	K622-M626 WeakPolarHBondContact O-CG 3.49Å; K622-M626 PolarHBondContact O-N 2.75Å; Q623-M626 PolarHBondContact O-N 3.22Å; S624-M626 VanDerWaalsContact C-N 3.33Å; S624-M626 PolarHBondContact O-N 3.13Å; M626-K628 PolarHBondContact O-N 3.11Å; M626-A629 PolarHBondContact O-N 3.33Å; M626-L630 WeakPolarHBondContact O-CD1 3.35Å; M626-L630 VanDerWaalsContact O-CG 3.22Å; M626-L630 WeakPolarHBondContact O-CG 3.45Å; M626-L630 PolarHBondContact O-N 3.44Å; M626-Q662 HydrophobicContact CE-CB 3.84Å
627	S	72.1	Confident	67.9	Low	74 Å²	74	84.3 Å²	84.3	52%	0.517	41%	0.411	S	S	.	.	H	α-helix	trans	-59.9	-45.8	177.7	-169.4	0	0	0	0	112.4	Q623 S624 L630 Q631	Q623-S627 WeakPolarHBondContact O-CB 3.28Å; Q623-S627 PolarHBondContact O-N 3.45Å; S624-S627 WeakPolarHBondContact O-CB 3.22Å; S624-S627 PolarHBondContact O-N 3.13Å; S624-S627 VanDerWaalsContact O-N 3.16Å; S627-L630 WeakPolarHBondContact O-CB 3.32Å; S627-L630 PolarHBondContact O-N 3.13Å; S627-Q631 PolarHBondContact O-N 3.3Å
628	K	68.8	Low	66.9	Low	74 Å²	74	89.7 Å²	89.7	32%	0.322	42%	0.423	S	S	.	.	H	α-helix	trans	-62.7	-45.5	175	-173.7	176.8	174.9	-178	0	111.8	E346 S624 M626 L630 Q631 E632	E346-K628 IonicContact OE2-NZ 2.79Å; E346-K628 PolarHBondContact OE2-NZ 2.95Å; S624-K628 PolarHBondContact O-N 3.22Å; M626-K628 PolarHBondContact O-N 3.11Å; K628-L630 VanDerWaalsContact C-N 3.26Å; K628-L630 PolarHBondContact O-N 3.08Å; K628-Q631 PolarHBondContact O-N 3.12Å; K628-Q631 VanDerWaalsContact O-N 3.11Å; K628-E632 WeakPolarHBondContact CE-OE1 3.17Å; K628-E632 WeakPolarHBondContact O-CG 3.37Å; K628-E632 PolarHBondContact O-N 2.71Å
629	A	68.3	Low	66.1	Low	37 Å²	37	83.1 Å²	83.1	31%	0.306	40%	0.399	S	S	.	.	H	α-helix	trans	-60.7	-34.3	176.5	0	0	0	0	0	112.8	R625 M626 F633	R625-A629 WeakPolarHBondContact O-CB 3.49Å; R625-A629 PolarHBondContact O-N 2.93Å; M626-A629 PolarHBondContact O-N 3.33Å; A629-F633 VanDerWaalsContact O-CB 3.29Å; A629-F633 WeakPolarHBondContact O-CB 3.44Å; A629-F633 PolarHBondContact O-N 3.24Å
630	L	66.8	Low	65	Low	22 Å²	22	85.1 Å²	85.1	12%	0.115	41%	0.405	C	S	.	.	H	α-helix	trans	-72.2	-36.7	173.7	-69.6	159.8	0	0	0	112.8	M626 S627 K628 F633 D634 F663 L666	M626-L630 WeakPolarHBondContact O-CD1 3.35Å; M626-L630 VanDerWaalsContact O-CG 3.22Å; M626-L630 WeakPolarHBondContact O-CG 3.45Å; M626-L630 PolarHBondContact O-N 3.44Å; S627-L630 WeakPolarHBondContact O-CB 3.32Å; S627-L630 PolarHBondContact O-N 3.13Å; K628-L630 VanDerWaalsContact C-N 3.26Å; K628-L630 PolarHBondContact O-N 3.08Å; L630-F633 PolarHBondContact O-N 3.02Å; L630-D634 PolarHBondContact O-N 2.86Å; L630-F663 HydrophobicContact CD2-CE2 4.46Å; L630-L666 HydrophobicContact CD1-CD1 3.69Å; L630-L666 HydrophobicContact CD1-CD2 3.43Å; L630-L666 VanDerWaalsContact CD1-CD2 3.43Å; L630-L666 HydrophobicContact CD1-CG 4.05Å; L630-L666 HydrophobicContact CD2-CB 4.46Å; L630-L666 HydrophobicContact CD2-CD2 4.03Å; L630-L666 HydrophobicContact CG-CD2 4.38Å
631	Q	67.2	Low	63.9	Low	143 Å²	143	89.3 Å²	89.3	67%	0.668	42%	0.422	S	S	*	.	H	α-helix	trans	-66.5	-43.6	175.5	-168	176.4	17.7	0	0	111.1	S627 K628 F633 D634 L635	S627-Q631 PolarHBondContact O-N 3.3Å; K628-Q631 PolarHBondContact O-N 3.12Å; K628-Q631 VanDerWaalsContact O-N 3.11Å; Q631-F633 VanDerWaalsContact C-N 3.31Å; Q631-F633 PolarHBondContact O-N 2.74Å; Q631-D634 PolarHBondContact O-N 2.79Å; Q631-L635 WeakPolarHBondContact O-CB 3.38Å; Q631-L635 PolarHBondContact O-N 2.58Å
632	E	63.8	Low	62.9	Low	93 Å²	93	90.4 Å²	90.4	44%	0.435	43%	0.429	S	S	.	.	H	α-helix	trans	-59.8	-40.8	170.5	-72.4	176	-159.8	0	0	111.7	K628 L635 A636 F646	K628-E632 WeakPolarHBondContact CE-OE1 3.17Å; K628-E632 WeakPolarHBondContact O-CG 3.37Å; K628-E632 PolarHBondContact O-N 2.71Å; E632-L635 PolarHBondContact O-N 2.85Å; E632-A636 WeakPolarHBondContact O-CB 3.47Å; E632-A636 PolarHBondContact O-N 3.21Å; E632-F646 HydrophobicContact CB-CE2 4.39Å
633	F	61.1	Low	62	Low	39 Å²	39	87.2 Å²	87.2	17%	0.171	41%	0.413	C	S	.	.	H	α-helix	trans	-66.5	-42.7	177.3	-176.3	-119.7	0	0	0	113.1	A629 L630 Q631 L635 A636 L637 F646 F663 K667	A629-F633 VanDerWaalsContact O-CB 3.29Å; A629-F633 WeakPolarHBondContact O-CB 3.44Å; A629-F633 PolarHBondContact O-N 3.24Å; L630-F633 PolarHBondContact O-N 3.02Å; Q631-F633 VanDerWaalsContact C-N 3.31Å; Q631-F633 PolarHBondContact O-N 2.74Å; F633-L635 VanDerWaalsContact C-N 3.34Å; F633-A636 PolarHBondContact O-N 2.89Å; F633-L637 HydrophobicContact CD1-CD1 3.91Å; F633-L637 HydrophobicContact CE1-CD1 3.66Å; F633-L637 HydrophobicContact CE1-CG 4.39Å; F633-L637 HydrophobicContact CE2-CG 4.41Å; F633-L637 HydrophobicContact CG-CD1 4.45Å; F633-L637 HydrophobicContact CZ-CD1 3.99Å; F633-L637 HydrophobicContact CZ-CD2 4.4Å; F633-L637 HydrophobicContact CZ-CG 4.3Å; F633-L637 WeakPolarHBondContact O-CB 3.24Å; F633-L637 VanDerWaalsContact O-CG 3.32Å; F633-L637 WeakPolarHBondContact O-CG 3.39Å; F633-L637 PolarHBondContact O-N 3.29Å; F633-F646 AromaticContact CD2-CE1 3.89Å; F633-F646 HydrophobicContact CD2-CE1 3.89Å; F633-F646 HydrophobicContact CD2-CZ 4.38Å; F633-F663 HydrophobicContact CB-CE2 4.43Å; F633-F663 HydrophobicContact CB-CZ 4.26Å; F633-F663 HydrophobicContact CD1-CE2 4.42Å; F633-F663 AromaticContact CD1-CZ 3.79Å; F633-F663 HydrophobicContact CD1-CZ 3.79Å; F633-F663 AromaticContact CD2-CZ 3.76Å; F633-F663 HydrophobicContact CD2-CZ 3.76Å; F633-F663 HydrophobicContact CE1-CE1 4.3Å; F633-F663 AromaticContact CE1-CZ 3.97Å; F633-F663 HydrophobicContact CE1-CZ 3.97Å; F633-F663 HydrophobicContact CE2-CE1 4.28Å; F633-F663 AromaticContact CE2-CZ 3.93Å; F633-F663 HydrophobicContact CE2-CZ 3.93Å; F633-F663 HydrophobicContact CG-CE2 4.3Å; F633-F663 AromaticContact CG-CZ 3.68Å; F633-F663 HydrophobicContact CG-CZ 3.68Å; F633-F663 HydrophobicContact CZ-CE1 4.16Å; F633-F663 HydrophobicContact CZ-CZ 4.03Å; F633-K667 HydrophobicContact CE1-CG 4.41Å
634	D	60.3	Low	61	Low	18 Å²	18	86.2 Å²	86.2	10%	0.096	41%	0.409	C	S	.	.	H	α-helix	trans	-64.7	-39.2	173.2	-166.6	71.3	0	0	0	111.5	L630 Q631 A636 L637 R638 R674	L630-D634 PolarHBondContact O-N 2.86Å; Q631-D634 PolarHBondContact O-N 2.79Å; D634-A636 VanDerWaalsContact C-N 3.3Å; D634-A636 PolarHBondContact O-N 2.88Å; D634-L637 PolarHBondContact O-N 2.99Å; D634-R638 WeakPolarHBondContact O-CG 3.39Å; D634-R638 PolarHBondContact O-N 3.36Å; D634-R638 IonicContact OD2-CZ 3.55Å; D634-R638 VanDerWaalsContact OD2-CZ 3.24Å; D634-R638 IonicContact OD2-NE 2.78Å; D634-R638 PolarHBondContact OD2-NE 3.34Å; D634-R638 IonicContact OD2-NH2 3.34Å; D634-R638 PolarHBondContact OD2-NH2 2.82Å; D634-R674 IonicContact OD1-CZ 2.71Å; D634-R674 IonicContact OD1-NH1 2.61Å; D634-R674 PolarHBondContact OD1-NH1 3.43Å; D634-R674 IonicContact OD1-NH2 3.2Å; D634-R674 PolarHBondContact OD1-NH2 3.06Å
635	L	60.9	Low	60.1	Low	97 Å²	97	91 Å²	91	51%	0.508	42%	0.424	S	S	.	.	H	α-helix	trans	-64.8	-34.3	176	-164.3	69.4	0	0	0	112.1	Q631 E632 F633	Q631-L635 WeakPolarHBondContact O-CB 3.38Å; Q631-L635 PolarHBondContact O-N 2.58Å; E632-L635 PolarHBondContact O-N 2.85Å; F633-L635 VanDerWaalsContact C-N 3.34Å
636	A	58.7	Low	59.3	Low	8 Å²	8	87.2 Å²	87.2	7%	0.066	41%	0.412	C	S	.	.	H	α-helix	trans	-70.9	-41.3	171.8	0	0	0	0	0	112.3	E632 F633 D634 R638 G639 R643 F646	E632-A636 WeakPolarHBondContact O-CB 3.47Å; E632-A636 PolarHBondContact O-N 3.21Å; F633-A636 PolarHBondContact O-N 2.89Å; D634-A636 VanDerWaalsContact C-N 3.3Å; D634-A636 PolarHBondContact O-N 2.88Å; A636-R638 VanDerWaalsContact C-N 3.26Å; A636-R638 PolarHBondContact O-N 3.24Å; A636-G639 PolarHBondContact O-N 3.3Å; A636-R643 PolarHBondContact O-N 3.27Å; A636-F646 HydrophobicContact CB-CB 3.84Å; A636-F646 HydrophobicContact CB-CD1 4.38Å; A636-F646 HydrophobicContact CB-CD2 4.11Å; A636-F646 HydrophobicContact CB-CG 3.87Å
637	L	56	Low	58.8	Low	55 Å²	55	89.2 Å²	89.2	29%	0.288	42%	0.423	S	S	.	.	H	α-helix	trans	-61.8	-30.5	176.7	-77	170.7	0	0	0	113	F633 D634 G639	F633-L637 HydrophobicContact CD1-CD1 3.91Å; F633-L637 HydrophobicContact CE1-CD1 3.66Å; F633-L637 HydrophobicContact CE1-CG 4.39Å; F633-L637 HydrophobicContact CE2-CG 4.41Å; F633-L637 HydrophobicContact CG-CD1 4.45Å; F633-L637 HydrophobicContact CZ-CD1 3.99Å; F633-L637 HydrophobicContact CZ-CD2 4.4Å; F633-L637 HydrophobicContact CZ-CG 4.3Å; F633-L637 WeakPolarHBondContact O-CB 3.24Å; F633-L637 VanDerWaalsContact O-CG 3.32Å; F633-L637 WeakPolarHBondContact O-CG 3.39Å; F633-L637 PolarHBondContact O-N 3.29Å; D634-L637 PolarHBondContact O-N 2.99Å; L637-G639 PolarHBondContact O-N 2.78Å; L637-G639 VanDerWaalsContact O-N 3.16Å
638	R	56.9	Low	58	Low	190 Å²	190	91.9 Å²	91.9	72%	0.717	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-9.3	179.5	-75.5	173.5	-166.6	-148.4	4.7	115.4	D634 A636	D634-R638 WeakPolarHBondContact O-CG 3.39Å; D634-R638 PolarHBondContact O-N 3.36Å; D634-R638 IonicContact OD2-CZ 3.55Å; D634-R638 VanDerWaalsContact OD2-CZ 3.24Å; D634-R638 IonicContact OD2-NE 2.78Å; D634-R638 PolarHBondContact OD2-NE 3.34Å; D634-R638 IonicContact OD2-NH2 3.34Å; D634-R638 PolarHBondContact OD2-NH2 2.82Å; A636-R638 VanDerWaalsContact C-N 3.26Å; A636-R638 PolarHBondContact O-N 3.24Å
639	G	53.3	Low	57.1	Low	26 Å²	26	91.8 Å²	91.8	27%	0.268	43%	0.429	S	S	.	.			trans	-157.4	129.6	178.3	0	0	0	0	0	115.2	A636 L637 K641 K642 R643	A636-G639 PolarHBondContact O-N 3.3Å; L637-G639 PolarHBondContact O-N 2.78Å; L637-G639 VanDerWaalsContact O-N 3.16Å; G639-K641 VanDerWaalsContact C-N 3.34Å; G639-K641 PolarHBondContact O-N 3.33Å; G639-K642 WeakPolarHBondContact O-CA 3.33Å; G639-K642 PolarHBondContact O-N 3.46Å; G639-R643 PolarHBondContact O-N 3.41Å
640	K	49	Very low	56.4	Low	187 Å²	187	91.9 Å²	91.9	81%	0.813	43%	0.433	S	S	*	.	H	α-helix	trans	-47.9	-48.3	-176.5	-68.9	-172	176.2	-173.9	0	113.8	K642 R643 E644	K640-K642 VanDerWaalsContact C-N 3.35Å; K640-K642 PolarHBondContact O-N 2.95Å; K640-R643 PolarHBondContact O-N 2.71Å; K640-E644 PolarHBondContact O-N 3.07Å; K640-E644 VanDerWaalsContact O-N 3.1Å
641	K	52.8	Low	55.6	Low	189 Å²	189	99.9 Å²	99.9	82%	0.822	47%	0.467	S	S	*	.	H	α-helix	trans	-65.8	-31.7	178.6	-69	-174.8	176.1	-178.5	0	113.3	G639 K645	G639-K641 VanDerWaalsContact C-N 3.34Å; G639-K641 PolarHBondContact O-N 3.33Å; K641-K645 PolarHBondContact O-N 3.14Å
642	K	54.2	Low	54.6	Low	123 Å²	123	100.6 Å²	100.6	54%	0.535	47%	0.468	S	S	.	.	H	α-helix	trans	-75.9	-43.1	175.6	-67.4	-163.2	176.2	-166.4	0	111.3	G639 K640 E644 K645 F646	G639-K642 WeakPolarHBondContact O-CA 3.33Å; G639-K642 PolarHBondContact O-N 3.46Å; K640-K642 VanDerWaalsContact C-N 3.35Å; K640-K642 PolarHBondContact O-N 2.95Å; K642-E644 VanDerWaalsContact C-N 3.3Å; K642-E644 PolarHBondContact O-N 3.45Å; K642-K645 PolarHBondContact O-N 2.85Å; K642-F646 WeakPolarHBondContact O-CB 3.48Å; K642-F646 PolarHBondContact O-N 2.99Å
643	R	50.8	Low	53.9	Low	82 Å²	82	102.8 Å²	102.8	31%	0.309	48%	0.476	S	S	.	.	H	α-helix	trans	-54.7	-43.2	172.5	-174.7	173.9	172.2	-177.7	-7.3	111.8	A636 G639 K640 L647 E714	A636-R643 PolarHBondContact O-N 3.27Å; G639-R643 PolarHBondContact O-N 3.41Å; K640-R643 PolarHBondContact O-N 2.71Å; R643-L647 HydrophobicContact CG-CD1 4.26Å; R643-L647 WeakPolarHBondContact O-CD1 3.32Å; R643-L647 PolarHBondContact O-N 3.4Å; R643-E714 IonicContact CZ-OE2 3.42Å; R643-E714 IonicContact NH1-OE2 2.97Å; R643-E714 PolarHBondContact NH1-OE2 3.37Å; R643-E714 VanDerWaalsContact NH2-CD 3.31Å; R643-E714 IonicContact NH2-OE1 2.89Å; R643-E714 PolarHBondContact NH2-OE1 3.18Å; R643-E714 IonicContact NH2-OE2 2.86Å; R643-E714 PolarHBondContact NH2-OE2 3.27Å
644	E	52.2	Low	53.3	Low	108 Å²	108	110 Å²	110	51%	0.505	51%	0.51	S	S	.	.	H	α-helix	trans	-66.6	-41.9	179.1	-161.5	-160.7	137.5	0	0	113.1	K640 K642 L647 K648	K640-E644 PolarHBondContact O-N 3.07Å; K640-E644 VanDerWaalsContact O-N 3.1Å; K642-E644 VanDerWaalsContact C-N 3.3Å; K642-E644 PolarHBondContact O-N 3.45Å; E644-L647 PolarHBondContact O-N 3.42Å; E644-K648 WeakPolarHBondContact O-CG 3.31Å; E644-K648 PolarHBondContact O-N 3.28Å; E644-K648 VanDerWaalsContact O-N 3.15Å; E644-K648 WeakPolarHBondContact OE1-CE 3.27Å; E644-K648 IonicContact OE1-NZ 3.83Å; E644-K648 PolarHBondContact OE1-NZ 3.47Å
645	K	53.4	Low	52.9	Low	144 Å²	144	113 Å²	113	63%	0.626	53%	0.526	S	S	*	.	H	α-helix	trans	-63.2	-47.4	175.3	-168.8	-175.8	178.1	-168.3	0	110.9	K641 K642 L647 K648 D649	K641-K645 PolarHBondContact O-N 3.14Å; K642-K645 PolarHBondContact O-N 2.85Å; K645-L647 VanDerWaalsContact C-N 3.34Å; K645-L647 PolarHBondContact O-N 3Å; K645-K648 WeakPolarHBondContact O-CB 3.46Å; K645-K648 PolarHBondContact O-N 3.43Å; K645-D649 PolarHBondContact O-N 2.89Å
646	F	54.4	Low	53	Low	72 Å²	72	111.7 Å²	111.7	32%	0.316	52%	0.522	S	S	.	.	H	α-helix	trans	-58.1	-42.5	177.8	-171.2	-93.5	0	0	0	112.3	E632 F633 A636 K642 K648 D649 G650	E632-F646 HydrophobicContact CB-CE2 4.39Å; F633-F646 AromaticContact CD2-CE1 3.89Å; F633-F646 HydrophobicContact CD2-CE1 3.89Å; F633-F646 HydrophobicContact CD2-CZ 4.38Å; A636-F646 HydrophobicContact CB-CB 3.84Å; A636-F646 HydrophobicContact CB-CD1 4.38Å; A636-F646 HydrophobicContact CB-CD2 4.11Å; A636-F646 HydrophobicContact CB-CG 3.87Å; K642-F646 WeakPolarHBondContact O-CB 3.48Å; K642-F646 PolarHBondContact O-N 2.99Å; F646-K648 VanDerWaalsContact C-N 3.31Å; F646-K648 PolarHBondContact O-N 2.95Å; F646-D649 PolarHBondContact O-N 3.46Å; F646-G650 PolarHBondContact O-N 3.11Å
647	L	53.5	Low	52.6	Low	93 Å²	93	115.6 Å²	115.6	49%	0.487	55%	0.549	S	S	.	.	H	α-helix	trans	-66.9	-27.2	174.7	-99.7	68.6	0	0	0	113.8	R643 E644 K645 K651	R643-L647 HydrophobicContact CG-CD1 4.26Å; R643-L647 WeakPolarHBondContact O-CD1 3.32Å; R643-L647 PolarHBondContact O-N 3.4Å; E644-L647 PolarHBondContact O-N 3.42Å; K645-L647 VanDerWaalsContact C-N 3.34Å; K645-L647 PolarHBondContact O-N 3Å; L647-K651 WeakPolarHBondContact O-CG 3.44Å
648	K	55.2	Low	52.6	Low	129 Å²	129	119.6 Å²	119.6	56%	0.561	57%	0.566	S	S	*	*	H	α-helix	trans	-77.8	-34.1	177	-78.4	173.3	169.9	171.7	0	112.7	E644 K645 F646	E644-K648 WeakPolarHBondContact O-CG 3.31Å; E644-K648 PolarHBondContact O-N 3.28Å; E644-K648 VanDerWaalsContact O-N 3.15Å; E644-K648 WeakPolarHBondContact OE1-CE 3.27Å; E644-K648 IonicContact OE1-NZ 3.83Å; E644-K648 PolarHBondContact OE1-NZ 3.47Å; K645-K648 WeakPolarHBondContact O-CB 3.46Å; K645-K648 PolarHBondContact O-N 3.43Å; F646-K648 VanDerWaalsContact C-N 3.31Å; F646-K648 PolarHBondContact O-N 2.95Å
649	D	51.3	Low	52.5	Low	73 Å²	73	114.5 Å²	114.5	39%	0.39	55%	0.551	S	S	.	*	H	α-helix	trans	-86.1	-36.7	177.2	-70.3	-45.5	0	0	0	112.7	K645 F646 K651 K652	K645-D649 PolarHBondContact O-N 2.89Å; F646-D649 PolarHBondContact O-N 3.46Å; D649-K651 PolarHBondContact O-N 3.32Å; D649-K652 WeakPolarHBondContact O-CB 3.4Å; D649-K652 PolarHBondContact O-N 3.45Å; D649-K652 IonicContact OD1-NZ 3.72Å; D649-K652 PolarHBondContact OD1-NZ 2.87Å
650	G	53	Low	52.7	Low	39 Å²	39	118.8 Å²	118.8	40%	0.402	56%	0.558	S	S	.	*	H	α-helix	trans	-58.3	-32.8	175.1	0	0	0	0	0	113.7	F646 K652 K653	F646-G650 PolarHBondContact O-N 3.11Å; G650-K652 PolarHBondContact O-N 3.32Å; G650-K653 PolarHBondContact O-N 3.17Å
651	K	49.7	Very low	53.2	Low	189 Å²	189	112.2 Å²	112.2	82%	0.822	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-7.1	173.8	-82.3	-176.6	175.2	-168.4	0	115.1	L647 D649	L647-K651 WeakPolarHBondContact O-CG 3.44Å; D649-K651 PolarHBondContact O-N 3.32Å
652	K	46.8	Very low	53.5	Low	158 Å²	158	107.8 Å²	107.8	69%	0.687	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-17.8	178.3	-58.5	169.1	-173.6	160	0	114.1	D649 G650	D649-K652 WeakPolarHBondContact O-CB 3.4Å; D649-K652 PolarHBondContact O-N 3.45Å; D649-K652 IonicContact OD1-NZ 3.72Å; D649-K652 PolarHBondContact OD1-NZ 2.87Å; G650-K652 PolarHBondContact O-N 3.32Å
653	K	49.2	Very low	53.5	Low	139 Å²	139	104.4 Å²	104.4	60%	0.604	51%	0.507	S	S	*	.	S	Bend	trans	-100.2	112.2	173.6	-78.6	-178.7	177	175.3	0	108.2	E343 G650 L655	E343-K653 IonicContact OE1-NZ 2.78Å; E343-K653 PolarHBondContact OE1-NZ 2.87Å; E343-K653 IonicContact OE2-NZ 2.79Å; G650-K653 PolarHBondContact O-N 3.17Å; K653-L655 PolarHBondContact O-N 3.42Å; K653-L655 VanDerWaalsContact O-N 3.07Å
654	Q	47.2	Very low	54	Low	191 Å²	191	105.1 Å²	105.1	89%	0.893	51%	0.513	S	S	*	.			trans	-73.4	94.1	168.9	-73.3	-175.8	-8.8	0	0	109
655	L	53.2	Low	54.6	Low	81 Å²	81	104.9 Å²	104.9	42%	0.424	52%	0.515	S	S	.	.			trans	-67.3	146.5	169.9	-66.9	105.7	0	0	0	110.5	K653 E659 R660	K653-L655 PolarHBondContact O-N 3.42Å; K653-L655 VanDerWaalsContact O-N 3.07Å; L655-E659 WeakPolarHBondContact CA-OE2 3.15Å; L655-E659 HydrophobicContact CB-CB 4.23Å; L655-E659 HydrophobicContact CD2-CB 4.08Å; L655-R660 HydrophobicContact CB-CG 4.14Å; L655-R660 PolarHBondContact O-NE 2.91Å; L655-R660 PolarHBondContact O-NH2 3.28Å
656	T	61.5	Low	54.6	Low	69 Å²	69	100.3 Å²	100.3	42%	0.423	50%	0.497	S	S	.	.			trans	-68.1	164.4	175.4	70.7	0	0	0	0	111.4	E658 E659 R660	T656-E658 VanDerWaalsContact C-N 3.31Å; T656-E658 PolarHBondContact O-N 3.27Å; T656-E659 PolarHBondContact N-OE2 3.49Å; T656-E659 PolarHBondContact O-N 3.2Å; T656-E659 VanDerWaalsContact OG1-CG 3.28Å; T656-E659 WeakPolarHBondContact OG1-CG 3.34Å; T656-E659 PolarHBondContact OG1-N 3.37Å; T656-E659 PolarHBondContact OG1-OE2 3.04Å; T656-R660 VanDerWaalsContact O-CG 3.31Å; T656-R660 WeakPolarHBondContact O-CG 3.3Å; T656-R660 PolarHBondContact O-N 2.9Å; T656-R660 VanDerWaalsContact O-N 3.14Å
657	S	51.6	Low	55	Low	91 Å²	91	99.9 Å²	99.9	64%	0.636	50%	0.495	S	S	*	.	H	α-helix	trans	-58.8	-42.2	175.9	42.6	0	0	0	0	112.2	R660 A661	S657-R660 PolarHBondContact O-N 3.01Å; S657-A661 PolarHBondContact O-N 2.92Å
658	E	56.5	Low	55.3	Low	138 Å²	138	98.3 Å²	98.3	65%	0.645	50%	0.495	S	S	*	.	H	α-helix	trans	-64.1	-44.7	178	-60.5	-174.8	165.3	0	0	112.4	T656 R660 A661 Q662	T656-E658 VanDerWaalsContact C-N 3.31Å; T656-E658 PolarHBondContact O-N 3.27Å; E658-R660 VanDerWaalsContact C-N 3.32Å; E658-R660 PolarHBondContact O-N 3.01Å; E658-A661 PolarHBondContact O-N 3.38Å; E658-Q662 WeakPolarHBondContact O-CB 3.36Å; E658-Q662 VanDerWaalsContact O-CG 3.3Å; E658-Q662 WeakPolarHBondContact O-CG 3.31Å; E658-Q662 PolarHBondContact O-N 3.28Å
659	E	53.6	Low	55.6	Low	84 Å²	84	97.8 Å²	97.8	39%	0.393	50%	0.495	S	S	.	.	H	α-helix	trans	-61.3	-40.2	177.6	-73	171.7	157.5	0	0	111.5	L655 T656 F663	L655-E659 WeakPolarHBondContact CA-OE2 3.15Å; L655-E659 HydrophobicContact CB-CB 4.23Å; L655-E659 HydrophobicContact CD2-CB 4.08Å; T656-E659 PolarHBondContact N-OE2 3.49Å; T656-E659 PolarHBondContact O-N 3.2Å; T656-E659 VanDerWaalsContact OG1-CG 3.28Å; T656-E659 WeakPolarHBondContact OG1-CG 3.34Å; T656-E659 PolarHBondContact OG1-N 3.37Å; T656-E659 PolarHBondContact OG1-OE2 3.04Å; E659-F663 VanDerWaalsContact O-CB 3.27Å; E659-F663 WeakPolarHBondContact O-CB 3.3Å; E659-F663 PolarHBondContact O-N 2.95Å
660	R	58.3	Low	55.7	Low	115 Å²	115	97.5 Å²	97.5	43%	0.434	49%	0.492	S	S	.	.	H	α-helix	trans	-65	-45.2	175.3	-66.3	172.8	-153.4	-175.8	6.4	112	L655 T656 S657 E658 F663 E664	L655-R660 HydrophobicContact CB-CG 4.14Å; L655-R660 PolarHBondContact O-NE 2.91Å; L655-R660 PolarHBondContact O-NH2 3.28Å; T656-R660 VanDerWaalsContact O-CG 3.31Å; T656-R660 WeakPolarHBondContact O-CG 3.3Å; T656-R660 PolarHBondContact O-N 2.9Å; T656-R660 VanDerWaalsContact O-N 3.14Å; S657-R660 PolarHBondContact O-N 3.01Å; E658-R660 VanDerWaalsContact C-N 3.32Å; E658-R660 PolarHBondContact O-N 3.01Å; R660-F663 PolarHBondContact O-N 3.25Å; R660-E664 PolarHBondContact O-N 3.45Å
661	A	58.8	Low	56.3	Low	49 Å²	49	99.7 Å²	99.7	41%	0.405	49%	0.491	S	S	.	.	H	α-helix	trans	-63	-45.5	179.6	0	0	0	0	0	111.5	S657 E658 F663 E664 I665	S657-A661 PolarHBondContact O-N 2.92Å; E658-A661 PolarHBondContact O-N 3.38Å; A661-F663 VanDerWaalsContact C-N 3.31Å; A661-F663 PolarHBondContact O-N 3.36Å; A661-E664 PolarHBondContact O-N 2.89Å; A661-I665 WeakPolarHBondContact O-CD1 3.45Å; A661-I665 VanDerWaalsContact O-CG1 3.25Å; A661-I665 WeakPolarHBondContact O-CG1 3.33Å; A661-I665 PolarHBondContact O-N 3.34Å
662	Q	59.9	Low	57.1	Low	97 Å²	97	93.4 Å²	93.4	45%	0.453	47%	0.474	S	S	.	.	H	α-helix	trans	-61.3	-40.2	175.2	-68.8	172.1	24.6	0	0	111.7	M626 E658 I665 L666	M626-Q662 HydrophobicContact CE-CB 3.84Å; E658-Q662 WeakPolarHBondContact O-CB 3.36Å; E658-Q662 VanDerWaalsContact O-CG 3.3Å; E658-Q662 WeakPolarHBondContact O-CG 3.31Å; E658-Q662 PolarHBondContact O-N 3.28Å; Q662-I665 PolarHBondContact O-N 3.06Å; Q662-L666 WeakPolarHBondContact O-CB 3.25Å; Q662-L666 PolarHBondContact O-N 3.14Å
663	F	52.7	Low	57.7	Low	51 Å²	51	90.3 Å²	90.3	22%	0.224	46%	0.462	C	S	.	.	H	α-helix	trans	-65.2	-43.2	176.5	-173.6	-95.3	0	0	0	112.9	L630 F633 E659 R660 A661 K667	L630-F663 HydrophobicContact CD2-CE2 4.46Å; F633-F663 HydrophobicContact CB-CE2 4.43Å; F633-F663 HydrophobicContact CB-CZ 4.26Å; F633-F663 HydrophobicContact CD1-CE2 4.42Å; F633-F663 AromaticContact CD1-CZ 3.79Å; F633-F663 HydrophobicContact CD1-CZ 3.79Å; F633-F663 AromaticContact CD2-CZ 3.76Å; F633-F663 HydrophobicContact CD2-CZ 3.76Å; F633-F663 HydrophobicContact CE1-CE1 4.3Å; F633-F663 AromaticContact CE1-CZ 3.97Å; F633-F663 HydrophobicContact CE1-CZ 3.97Å; F633-F663 HydrophobicContact CE2-CE1 4.28Å; F633-F663 AromaticContact CE2-CZ 3.93Å; F633-F663 HydrophobicContact CE2-CZ 3.93Å; F633-F663 HydrophobicContact CG-CE2 4.3Å; F633-F663 AromaticContact CG-CZ 3.68Å; F633-F663 HydrophobicContact CG-CZ 3.68Å; F633-F663 HydrophobicContact CZ-CE1 4.16Å; F633-F663 HydrophobicContact CZ-CZ 4.03Å; E659-F663 VanDerWaalsContact O-CB 3.27Å; E659-F663 WeakPolarHBondContact O-CB 3.3Å; E659-F663 PolarHBondContact O-N 2.95Å; R660-F663 PolarHBondContact O-N 3.25Å; A661-F663 VanDerWaalsContact C-N 3.31Å; A661-F663 PolarHBondContact O-N 3.36Å; F663-K667 WeakPolarHBondContact O-CB 3.27Å; F663-K667 PolarHBondContact O-N 3.4Å
664	E	62	Low	58.4	Low	97 Å²	97	88.6 Å²	88.6	45%	0.453	45%	0.452	S	S	.	.	H	α-helix	trans	-62.8	-43.8	174.5	-78.5	-68.3	114.4	0	0	112.3	R660 A661 K667 A668	R660-E664 PolarHBondContact O-N 3.45Å; A661-E664 PolarHBondContact O-N 2.89Å; E664-K667 WeakPolarHBondContact O-CB 3.4Å; E664-K667 PolarHBondContact O-N 3.01Å; E664-K667 WeakPolarHBondContact OE1-CD 3.3Å; E664-K667 IonicContact OE1-NZ 2.63Å; E664-K667 PolarHBondContact OE1-NZ 3.18Å; E664-K667 IonicContact OE2-NZ 2.88Å; E664-K667 PolarHBondContact OE2-NZ 3.1Å; E664-A668 PolarHBondContact O-N 3.15Å
665	I	63.7	Low	59.4	Low	103 Å²	103	81 Å²	81	53%	0.528	42%	0.421	S	S	.	.	H	α-helix	trans	-60.4	-47.6	177.8	-69.9	164.3	0	0	0	110.8	A661 Q662 A668 Q669	A661-I665 WeakPolarHBondContact O-CD1 3.45Å; A661-I665 VanDerWaalsContact O-CG1 3.25Å; A661-I665 WeakPolarHBondContact O-CG1 3.33Å; A661-I665 PolarHBondContact O-N 3.34Å; Q662-I665 PolarHBondContact O-N 3.06Å; I665-A668 WeakPolarHBondContact O-CB 3.5Å; I665-A668 PolarHBondContact O-N 3.37Å; I665-A668 VanDerWaalsContact O-N 3.15Å; I665-Q669 PolarHBondContact O-N 3.43Å
666	L	55.1	Low	60.2	Low	49 Å²	49	78.7 Å²	78.7	26%	0.257	41%	0.414	S	S	.	.	H	α-helix	trans	-74.7	-31.7	-175.6	-142.7	163.1	0	0	0	111.6	L630 Q662 A668 Q669 M670	L630-L666 HydrophobicContact CD1-CD1 3.69Å; L630-L666 HydrophobicContact CD1-CD2 3.43Å; L630-L666 VanDerWaalsContact CD1-CD2 3.43Å; L630-L666 HydrophobicContact CD1-CG 4.05Å; L630-L666 HydrophobicContact CD2-CB 4.46Å; L630-L666 HydrophobicContact CD2-CD2 4.03Å; L630-L666 HydrophobicContact CG-CD2 4.38Å; Q662-L666 WeakPolarHBondContact O-CB 3.25Å; Q662-L666 PolarHBondContact O-N 3.14Å; L666-A668 VanDerWaalsContact C-N 3.31Å; L666-A668 PolarHBondContact O-N 3.43Å; L666-Q669 PolarHBondContact O-N 3.06Å; L666-M670 HydrophobicContact CD2-CG 3.86Å; L666-M670 WeakPolarHBondContact O-CB 3.18Å; L666-M670 VanDerWaalsContact O-CG 3.3Å; L666-M670 WeakPolarHBondContact O-CG 3.45Å; L666-M670 PolarHBondContact O-N 3.03Å
667	K	61.2	Low	60.7	Low	62 Å²	62	80.9 Å²	80.9	27%	0.27	42%	0.418	S	S	.	.	H	α-helix	trans	-57.4	-39.9	165.3	165.4	-171.1	162	-146.9	0	112.1	F633 F663 E664 F671	F633-K667 HydrophobicContact CE1-CG 4.41Å; F663-K667 WeakPolarHBondContact O-CB 3.27Å; F663-K667 PolarHBondContact O-N 3.4Å; E664-K667 WeakPolarHBondContact O-CB 3.4Å; E664-K667 PolarHBondContact O-N 3.01Å; E664-K667 WeakPolarHBondContact OE1-CD 3.3Å; E664-K667 IonicContact OE1-NZ 2.63Å; E664-K667 PolarHBondContact OE1-NZ 3.18Å; E664-K667 IonicContact OE2-NZ 2.88Å; E664-K667 PolarHBondContact OE2-NZ 3.1Å; K667-F671 PolarHBondContact O-N 3.35Å; K667-F671 VanDerWaalsContact O-N 3.16Å
668	A	61.3	Low	61.5	Low	60 Å²	60	84.9 Å²	84.9	50%	0.496	42%	0.419	S	S	.	.	H	α-helix	trans	-69.3	-43	175.2	0	0	0	0	0	112.4	E664 I665 L666 M670 F671 A672	E664-A668 PolarHBondContact O-N 3.15Å; I665-A668 WeakPolarHBondContact O-CB 3.5Å; I665-A668 PolarHBondContact O-N 3.37Å; I665-A668 VanDerWaalsContact O-N 3.15Å; L666-A668 VanDerWaalsContact C-N 3.31Å; L666-A668 PolarHBondContact O-N 3.43Å; A668-M670 PolarHBondContact O-N 2.96Å; A668-F671 WeakPolarHBondContact O-CB 3.46Å; A668-F671 PolarHBondContact O-N 3.19Å; A668-F671 VanDerWaalsContact O-N 3.15Å; A668-A672 PolarHBondContact O-N 3Å
669	Q	60.2	Low	62	Low	119 Å²	119	85.9 Å²	85.9	56%	0.556	42%	0.424	S	S	*	.	H	α-helix	trans	-58.9	-45.1	173.8	-69.2	174.4	-12.5	0	0	111.9	I665 L666 F671 A672 E673	I665-Q669 PolarHBondContact O-N 3.43Å; L666-Q669 PolarHBondContact O-N 3.06Å; Q669-F671 PolarHBondContact O-N 2.95Å; Q669-A672 PolarHBondContact O-N 3.17Å; Q669-E673 PolarHBondContact O-N 3.47Å
670	M	54.3	Low	62.8	Low	67 Å²	67	92.5 Å²	92.5	33%	0.33	45%	0.445	S	S	.	.	H	α-helix	trans	-66.7	-20.6	177	-75	-73.4	-85.5	0	0	113.9	L666 A668 R674	L666-M670 HydrophobicContact CD2-CG 3.86Å; L666-M670 WeakPolarHBondContact O-CB 3.18Å; L666-M670 VanDerWaalsContact O-CG 3.3Å; L666-M670 WeakPolarHBondContact O-CG 3.45Å; L666-M670 PolarHBondContact O-N 3.03Å; A668-M670 PolarHBondContact O-N 2.96Å; M670-R674 VanDerWaalsContact O-CB 3.31Å; M670-R674 WeakPolarHBondContact O-CB 3.39Å
671	F	64.6	Low	62.9	Low	84 Å²	84	96.5 Å²	96.5	37%	0.368	46%	0.46	S	S	.	.	H	α-helix	trans	-78.4	-47.5	168.6	177.1	-105.1	0	0	0	111.2	K667 A668 Q669 E673 R674 A675 F711 L715	K667-F671 PolarHBondContact O-N 3.35Å; K667-F671 VanDerWaalsContact O-N 3.16Å; A668-F671 WeakPolarHBondContact O-CB 3.46Å; A668-F671 PolarHBondContact O-N 3.19Å; A668-F671 VanDerWaalsContact O-N 3.15Å; Q669-F671 PolarHBondContact O-N 2.95Å; F671-E673 PolarHBondContact O-N 3.39Å; F671-R674 CarbonylContact O-C 3.58Å; F671-R674 PolarHBondContact O-N 2.92Å; F671-R674 VanDerWaalsContact O-N 3.11Å; F671-A675 PolarHBondContact O-N 3.16Å; F671-F711 HydrophobicContact CD2-CD1 4.49Å; F671-F711 AromaticContact CD2-CE1 3.56Å; F671-F711 HydrophobicContact CD2-CE1 3.56Å; F671-F711 HydrophobicContact CD2-CZ 4.29Å; F671-F711 HydrophobicContact CE2-CD1 4.33Å; F671-F711 AromaticContact CE2-CE1 3.77Å; F671-F711 HydrophobicContact CE2-CE1 3.77Å; F671-F711 HydrophobicContact CG-CE1 4.41Å; F671-L715 HydrophobicContact CE1-CD1 4.34Å; F671-L715 HydrophobicContact CE2-CD1 4.16Å; F671-L715 HydrophobicContact CZ-CD1 4.07Å
672	A	67.8	Low	63.1	Low	57 Å²	57	98.8 Å²	98.8	47%	0.471	48%	0.479	S	S	.	.	H	α-helix	trans	-59.2	-44.5	178.4	0	0	0	0	0	112.4	A668 Q669 R674 A675 A676	A668-A672 PolarHBondContact O-N 3Å; Q669-A672 PolarHBondContact O-N 3.17Å; A672-R674 PolarHBondContact O-N 3.34Å; A672-A675 PolarHBondContact O-N 3.02Å; A672-A676 PolarHBondContact O-N 3.16Å
673	E	59.3	Low	63.1	Low	94 Å²	94	103.9 Å²	103.9	44%	0.439	50%	0.5	S	S	.	.	H	α-helix	trans	-62.7	-34.2	176.7	-156.7	-140	-170.1	0	0	112	Q669 F671 K677	Q669-E673 PolarHBondContact O-N 3.47Å; F671-E673 PolarHBondContact O-N 3.39Å; E673-K677 VanDerWaalsContact CD-CE 3.5Å; E673-K677 WeakPolarHBondContact O-CB 3.47Å; E673-K677 VanDerWaalsContact O-CG 3.3Å; E673-K677 WeakPolarHBondContact O-CG 3.47Å; E673-K677 PolarHBondContact O-N 3.3Å; E673-K677 WeakPolarHBondContact OE1-CE 3.49Å; E673-K677 IonicContact OE1-NZ 2.82Å; E673-K677 PolarHBondContact OE1-NZ 3.49Å; E673-K677 IonicContact OE2-NZ 2.71Å; E673-K677 PolarHBondContact OE2-NZ 2.61Å
674	R	62.9	Low	63	Low	103 Å²	103	111.4 Å²	111.4	39%	0.389	53%	0.532	S	S	.	.	H	α-helix	trans	-78.4	-29.1	179.5	-153.3	-179.9	-55.9	-147.3	-3.4	112.5	D634 M670 F671 A672 R678	D634-R674 IonicContact OD1-CZ 2.71Å; D634-R674 IonicContact OD1-NH1 2.61Å; D634-R674 PolarHBondContact OD1-NH1 3.43Å; D634-R674 IonicContact OD1-NH2 3.2Å; D634-R674 PolarHBondContact OD1-NH2 3.06Å; M670-R674 VanDerWaalsContact O-CB 3.31Å; M670-R674 WeakPolarHBondContact O-CB 3.39Å; F671-R674 CarbonylContact O-C 3.58Å; F671-R674 PolarHBondContact O-N 2.92Å; F671-R674 VanDerWaalsContact O-N 3.11Å; A672-R674 PolarHBondContact O-N 3.34Å; R674-R678 WeakPolarHBondContact O-CG 3.34Å; R674-R678 PolarHBondContact O-N 3.18Å
675	A	68.6	Low	62.3	Low	30 Å²	30	111.4 Å²	111.4	25%	0.248	55%	0.549	C	S	.	.	H	α-helix	trans	-67.5	-51.5	168	0	0	0	0	0	110.5	F671 A672 K677 R678 E679	F671-A675 PolarHBondContact O-N 3.16Å; A672-A675 PolarHBondContact O-N 3.02Å; A675-K677 VanDerWaalsContact C-N 3.3Å; A675-K677 PolarHBondContact O-N 3.02Å; A675-R678 CarbonylContact O-C 3.54Å; A675-R678 WeakPolarHBondContact O-CA 3.45Å; A675-R678 WeakPolarHBondContact O-CB 3.47Å; A675-R678 PolarHBondContact O-N 3.44Å; A675-E679 PolarHBondContact O-N 3.15Å
676	A	69.9	Low	61.5	Low	34 Å²	34	118.2 Å²	118.2	28%	0.281	57%	0.568	S	S	.	*	H	α-helix	trans	-58	-39.2	175.4	0	0	0	0	0	112.5	A672 R678 E679 R680	A672-A676 PolarHBondContact O-N 3.16Å; A676-R678 VanDerWaalsContact C-N 3.29Å; A676-R678 PolarHBondContact O-N 2.86Å; A676-E679 PolarHBondContact O-N 3.15Å; A676-R680 WeakPolarHBondContact O-CB 3.38Å; A676-R680 VanDerWaalsContact O-CG 3.27Å; A676-R680 WeakPolarHBondContact O-CG 3.4Å; A676-R680 PolarHBondContact O-N 2.92Å
677	K	72.6	Confident	61	Low	115 Å²	115	120.6 Å²	120.6	50%	0.5	60%	0.595	S	S	.	*	H	α-helix	trans	-69.3	-19.2	172.8	-77.5	172	178.6	166.7	0	114.2	E673 A675	E673-K677 VanDerWaalsContact CD-CE 3.5Å; E673-K677 WeakPolarHBondContact O-CB 3.47Å; E673-K677 VanDerWaalsContact O-CG 3.3Å; E673-K677 WeakPolarHBondContact O-CG 3.47Å; E673-K677 PolarHBondContact O-N 3.3Å; E673-K677 WeakPolarHBondContact OE1-CE 3.49Å; E673-K677 IonicContact OE1-NZ 2.82Å; E673-K677 PolarHBondContact OE1-NZ 3.49Å; E673-K677 IonicContact OE2-NZ 2.71Å; E673-K677 PolarHBondContact OE2-NZ 2.61Å; A675-K677 VanDerWaalsContact C-N 3.3Å; A675-K677 PolarHBondContact O-N 3.02Å
678	R	68.5	Low	60.2	Low	174 Å²	174	125.5 Å²	125.5	66%	0.657	62%	0.621	S	S	*	*	H	α-helix	trans	-82.5	-41.4	169.2	-79.1	173.8	168.9	-177.6	-2.6	111.4	R674 A675 A676 R681	R674-R678 WeakPolarHBondContact O-CG 3.34Å; R674-R678 PolarHBondContact O-N 3.18Å; A675-R678 CarbonylContact O-C 3.54Å; A675-R678 WeakPolarHBondContact O-CA 3.45Å; A675-R678 WeakPolarHBondContact O-CB 3.47Å; A675-R678 PolarHBondContact O-N 3.44Å; A676-R678 VanDerWaalsContact C-N 3.29Å; A676-R678 PolarHBondContact O-N 2.86Å; R678-R681 WeakPolarHBondContact O-CB 3.38Å; R678-R681 PolarHBondContact O-N 2.9Å
679	E	66.9	Low	59.4	Low	159 Å²	159	128.3 Å²	128.3	74%	0.743	63%	0.634	S	S	*	*	H	α-helix	trans	-67.3	-37.9	178.6	-69.6	163.9	172.8	0	0	111.9	A675 A676 R681	A675-E679 PolarHBondContact O-N 3.15Å; A676-E679 PolarHBondContact O-N 3.15Å; E679-R681 PolarHBondContact O-N 3.25Å
680	R	69.8	Low	58.8	Low	223 Å²	223	131.5 Å²	131.5	84%	0.842	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	-5.6	173	-70.3	177.7	-178.1	-165.6	1.1	114.5	A676 A682	A676-R680 WeakPolarHBondContact O-CB 3.38Å; A676-R680 VanDerWaalsContact O-CG 3.27Å; A676-R680 WeakPolarHBondContact O-CG 3.4Å; A676-R680 PolarHBondContact O-N 2.92Å; R680-A682 PolarHBondContact O-N 3.27Å
681	R	61.5	Low	58.5	Low	199 Å²	199	136.2 Å²	136.2	75%	0.751	68%	0.675	S	S	*	*	S	Bend	trans	-81.9	109.6	171.4	-80.3	178.5	170.5	-154	-5.3	109.4	R678 E679 K683	R678-R681 WeakPolarHBondContact O-CB 3.38Å; R678-R681 PolarHBondContact O-N 2.9Å; E679-R681 PolarHBondContact O-N 3.25Å; R681-K683 PolarHBondContact O-N 2.63Å
682	A	61.5	Low	57.2	Low	97 Å²	97	141.3 Å²	141.3	80%	0.802	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-49	128.7	169.4	0	0	0	0	0	110.5	R680 K684	R680-A682 PolarHBondContact O-N 3.27Å; A682-K684 PolarHBondContact O-N 3.03Å
683	K	60.3	Low	56	Low	204 Å²	204	143.9 Å²	143.9	89%	0.887	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-62.4	126.8	174.7	-64.6	173.8	-177	171.3	0	107.6	R681 A685	R681-K683 PolarHBondContact O-N 2.63Å; K683-A685 PolarHBondContact O-N 2.97Å
684	K	50.2	Low	55.1	Low	209 Å²	209	145.2 Å²	145.2	91%	0.909	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-55	124.5	171.1	-85.5	-167.4	170.1	-168.4	0	108.5	A682 R686	A682-K684 PolarHBondContact O-N 3.03Å; K684-R686 PolarHBondContact O-N 2.86Å
685	A	48.7	Very low	53.7	Low	98 Å²	98	148.9 Å²	148.9	81%	0.81	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-58	137.6	169.9	0	0	0	0	0	109.4	K683	K683-A685 PolarHBondContact O-N 2.97Å
686	R	46.8	Very low	52.2	Low	246 Å²	246	157 Å²	157	93%	0.928	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-77.3	120.1	167.5	-97.3	-177.9	164.4	-175.8	-6.5	107.7	K684	K684-R686 PolarHBondContact O-N 2.86Å
687	A	43.2	Very low	50.5	Low	99 Å²	99	159.6 Å²	159.6	82%	0.818	81%	0.807	S	S	*	*			trans	-94.9	88.6	169	0	0	0	0	0	109.2
688	M	46.2	Very low	48.7	Very low	165 Å²	165	160.3 Å²	160.3	81%	0.813	82%	0.821	S	S	*	*			trans	-152.8	139.7	154	-78.6	-52.6	-68.3	0	0	107
689	P	43.5	Very low	47	Very low	118 Å²	118	159.5 Å²	159.5	77%	0.766	83%	0.83	S	S	*	*			trans	-67.9	163.9	172.6	-17.6	32.2	0	0	0	112.6
690	E	48.8	Very low	45.9	Very low	186 Å²	186	161.2 Å²	161.2	87%	0.869	84%	0.838	S	S	*	*			trans	-88.4	121.6	163.3	-60.3	-173.3	144.5	0	0	108.8
691	D	46.3	Very low	44.5	Very low	166 Å²	166	160.3 Å²	160.3	89%	0.888	84%	0.84	S	S	*	*			trans	178.1	95.5	148.8	-100.1	-27.2	0	0	0	110.7
692	E	38.6	Very low	43.3	Very low	191 Å²	191	155.3 Å²	155.3	89%	0.893	84%	0.841	S	S	*	*			trans	-165.1	142.7	152.9	-114.2	-176.9	-171.1	0	0	109.9
693	P	42.5	Very low	42	Very low	111 Å²	111	155.8 Å²	155.8	72%	0.721	85%	0.845	S	S	*	*			trans	-83	157.1	-167.9	32.3	-35.4	0	0	0	114.6	L695	P693-L695 PolarHBondContact O-N 2.89Å
694	P	39.7	Very low	41	Very low	123 Å²	123	151.3 Å²	151.3	80%	0.799	84%	0.84	S	S	*	*			trans	-80.2	107.6	-168.7	30.8	-35.9	0	0	0	114.2
695	L	34	Very low	40.7	Very low	179 Å²	179	152.9 Å²	152.9	94%	0.937	84%	0.84	S	S	*	*			trans	-67.2	129.3	164.8	-72.2	171.9	0	0	0	111.1	P693	P693-L695 PolarHBondContact O-N 2.89Å
696	K	36	Very low	40.4	Very low	200 Å²	200	151.2 Å²	151.2	87%	0.87	83%	0.832	S	S	*	*			trans	-91.5	141.9	-175.9	-76.9	-178.9	176.4	174.1	0	113.3
697	A	36	Very low	40.4	Very low	90 Å²	90	151.6 Å²	151.6	74%	0.744	83%	0.833	S	S	*	*			trans	63.8	126	159.6	0	0	0	0	0	117
698	T	33.2	Very low	40.9	Very low	130 Å²	130	152.9 Å²	152.9	80%	0.798	82%	0.821	S	S	*	*				-161.5	177.2	69.7	30.7	0	0	0	0	112.8
699	N	33.7	Very low	41.5	Very low	157 Å²	157	147.7 Å²	147.7	84%	0.84	80%	0.801	S	S	*	*			trans	62.4	75.3	171.8	-72	-17.9	0	0	0	117.9	K701	N699-K701 PolarHBondContact O-N 3.01Å
700	Q	43.8	Very low	41.8	Very low	194 Å²	194	146.3 Å²	146.3	91%	0.907	79%	0.79	S	S	*	*			trans	-67.2	111.8	148.3	-67.4	-179.7	-0.5	0	0	110.5
701	K	39.2	Very low	41.9	Very low	204 Å²	204	140.3 Å²	140.3	89%	0.887	76%	0.761	S	S	*	*			trans	-169	157.3	148.1	-107.6	156.3	-171.8	175.5	0	110.2	N699	N699-K701 PolarHBondContact O-N 3.01Å
702	A	36.3	Very low	42.3	Very low	95 Å²	95	134.7 Å²	134.7	79%	0.785	73%	0.731	S	S	*	*			trans	56.6	64.5	-178.8	0	0	0	0	0	115.4	S704	A702-S704 PolarHBondContact O-N 2.58Å
703	A	35.7	Very low	43.4	Very low	106 Å²	106	131 Å²	131	88%	0.876	71%	0.714	S	S	*	*			trans	-59.1	103.8	157.6	0	0	0	0	0	109	R705	A703-R705 PolarHBondContact O-N 3.4Å; A703-R705 VanDerWaalsContact O-N 3.12Å
704	S	38.5	Very low	44.3	Very low	111 Å²	111	130.5 Å²	130.5	78%	0.776	70%	0.702	S	S	*	*			trans	-67	113.3	-176.7	55.9	0	0	0	0	109.7	A702 G706	A702-S704 PolarHBondContact O-N 2.58Å; S704-G706 PolarHBondContact O-N 2.98Å
705	R	44.3	Very low	45.1	Very low	242 Å²	242	129.5 Å²	129.5	91%	0.913	69%	0.689	S	S	*	*			trans	-56.6	110.8	166.3	-76.8	-177.5	173.3	178.5	-1.1	107	A703 R707	A703-R705 PolarHBondContact O-N 3.4Å; A703-R705 VanDerWaalsContact O-N 3.12Å; R705-R707 PolarHBondContact O-N 3.44Å
706	G	41.8	Very low	46.1	Very low	63 Å²	63	125 Å²	125	65%	0.649	67%	0.669	S	S	*	*			trans	-51.4	133.9	176.6	0	0	0	0	0	109.3	S704 K708	S704-G706 PolarHBondContact O-N 2.98Å; G706-K708 PolarHBondContact O-N 2.88Å
707	R	48.2	Very low	47.2	Very low	253 Å²	253	119.5 Å²	119.5	96%	0.955	65%	0.649	S	S	*	*			trans	-57.8	95.5	-175.4	-77	179.1	170.2	165.9	-2.6	110.1	R705	R705-R707 PolarHBondContact O-N 3.44Å
708	K	52.7	Low	48.3	Very low	127 Å²	127	121 Å²	121	55%	0.552	65%	0.65	S	S	*	*			trans	-52.2	145.3	161.5	-75.2	-168.4	175.2	-169.6	0	107.9	G706 D712 E713	G706-K708 PolarHBondContact O-N 2.88Å; K708-D712 HydrophobicContact CB-CB 4.27Å; K708-D712 HydrophobicContact CD-CB 4.42Å; K708-E713 HydrophobicContact CB-CG 4.29Å
709	S	58.1	Low	50.2	Low	56 Å²	56	117.1 Å²	117.1	39%	0.392	63%	0.628	S	S	.	*			trans	-69.4	149	169.6	76.7	0	0	0	0	108.3	F711 D712 E713	S709-F711 PolarHBondContact O-N 3.44Å; S709-D712 WeakPolarHBondContact CA-OD2 3.27Å; S709-D712 VanDerWaalsContact CB-OD2 3.27Å; S709-D712 WeakPolarHBondContact CB-OD2 3.48Å; S709-D712 PolarHBondContact N-OD2 2.84Å; S709-D712 WeakPolarHBondContact O-CB 3.38Å; S709-D712 PolarHBondContact O-N 3.38Å; S709-D712 PolarHBondContact OG-N 3.28Å; S709-D712 PolarHBondContact OG-OD2 2.85Å; S709-E713 PolarHBondContact O-N 2.87Å
710	V	51.4	Low	51.3	Low	89 Å²	89	120.6 Å²	120.6	54%	0.539	63%	0.629	S	S	.	*	H	α-helix	trans	-56.4	-25	177.3	-178.8	0	0	0	0	111.1	E713 E714	V710-E713 PolarHBondContact O-N 2.76Å; V710-E714 WeakPolarHBondContact O-CG 3.45Å; V710-E714 PolarHBondContact O-N 3.33Å
711	F	50.3	Low	52.4	Low	60 Å²	60	119.3 Å²	119.3	26%	0.263	62%	0.62	S	S	.	*	H	α-helix	trans	-68	-37	173.8	-171.2	-91.1	0	0	0	113.2	F671 S709 E713 E714 L715	F671-F711 HydrophobicContact CD2-CD1 4.49Å; F671-F711 AromaticContact CD2-CE1 3.56Å; F671-F711 HydrophobicContact CD2-CE1 3.56Å; F671-F711 HydrophobicContact CD2-CZ 4.29Å; F671-F711 HydrophobicContact CE2-CD1 4.33Å; F671-F711 AromaticContact CE2-CE1 3.77Å; F671-F711 HydrophobicContact CE2-CE1 3.77Å; F671-F711 HydrophobicContact CG-CE1 4.41Å; S709-F711 PolarHBondContact O-N 3.44Å; F711-E713 VanDerWaalsContact C-N 3.32Å; F711-E714 PolarHBondContact O-N 3.14Å; F711-L715 HydrophobicContact CD1-CD1 3.82Å; F711-L715 HydrophobicContact CD1-CG 4.47Å; F711-L715 HydrophobicContact CE1-CD1 3.41Å; F711-L715 VanDerWaalsContact CE1-CD1 3.41Å; F711-L715 HydrophobicContact CE1-CG 4.22Å; F711-L715 HydrophobicContact CZ-CD1 4.17Å; F711-L715 WeakPolarHBondContact O-CB 3.44Å; F711-L715 PolarHBondContact O-N 3.33Å
712	D	54	Low	53.7	Low	48 Å²	48	111.6 Å²	111.6	26%	0.257	59%	0.592	S	S	.	*	H	α-helix	trans	-70.8	-30.4	174.6	-50.1	-61.3	0	0	0	111.3	K708 S709 T716	K708-D712 HydrophobicContact CB-CB 4.27Å; K708-D712 HydrophobicContact CD-CB 4.42Å; S709-D712 WeakPolarHBondContact CA-OD2 3.27Å; S709-D712 VanDerWaalsContact CB-OD2 3.27Å; S709-D712 WeakPolarHBondContact CB-OD2 3.48Å; S709-D712 PolarHBondContact N-OD2 2.84Å; S709-D712 WeakPolarHBondContact O-CB 3.38Å; S709-D712 PolarHBondContact O-N 3.38Å; S709-D712 PolarHBondContact OG-N 3.28Å; S709-D712 PolarHBondContact OG-OD2 2.85Å; D712-T716 WeakPolarHBondContact O-CB 3.38Å; D712-T716 PolarHBondContact O-N 2.69Å; D712-T716 VanDerWaalsContact O-N 3.15Å; D712-T716 PolarHBondContact O-OG1 3.15Å
713	E	63.1	Low	54.9	Low	113 Å²	113	111.1 Å²	111.1	53%	0.528	58%	0.576	S	S	.	*	H	α-helix	trans	-74.2	-41.5	171.5	-66.9	-174.6	138.6	0	0	111.8	K708 S709 V710 F711 L715 T716 N717	K708-E713 HydrophobicContact CB-CG 4.29Å; S709-E713 PolarHBondContact O-N 2.87Å; V710-E713 PolarHBondContact O-N 2.76Å; F711-E713 VanDerWaalsContact C-N 3.32Å; E713-L715 VanDerWaalsContact C-N 3.33Å; E713-L715 PolarHBondContact O-N 3.2Å; E713-T716 PolarHBondContact O-N 3.45Å; E713-N717 WeakPolarHBondContact O-CB 3.49Å; E713-N717 PolarHBondContact O-N 2.99Å; E713-N717 VanDerWaalsContact O-N 3.14Å
714	E	60.5	Low	56.1	Low	101 Å²	101	113.8 Å²	113.8	47%	0.472	57%	0.567	S	S	.	*	H	α-helix	trans	-57	-44.5	171.6	-76	-179.3	111.9	0	0	111.2	R643 V710 F711	R643-E714 IonicContact CZ-OE2 3.42Å; R643-E714 IonicContact NH1-OE2 2.97Å; R643-E714 PolarHBondContact NH1-OE2 3.37Å; R643-E714 VanDerWaalsContact NH2-CD 3.31Å; R643-E714 IonicContact NH2-OE1 2.89Å; R643-E714 PolarHBondContact NH2-OE1 3.18Å; R643-E714 IonicContact NH2-OE2 2.86Å; R643-E714 PolarHBondContact NH2-OE2 3.27Å; V710-E714 WeakPolarHBondContact O-CG 3.45Å; V710-E714 PolarHBondContact O-N 3.33Å; F711-E714 PolarHBondContact O-N 3.14Å
715	L	57	Low	57.3	Low	102 Å²	102	114.1 Å²	114.1	53%	0.534	56%	0.561	S	S	.	*	H	α-helix	trans	-72.5	-26.9	179.3	-78.4	175.8	0	0	0	114.9	F671 F711 E713	F671-L715 HydrophobicContact CE1-CD1 4.34Å; F671-L715 HydrophobicContact CE2-CD1 4.16Å; F671-L715 HydrophobicContact CZ-CD1 4.07Å; F711-L715 HydrophobicContact CD1-CD1 3.82Å; F711-L715 HydrophobicContact CD1-CG 4.47Å; F711-L715 HydrophobicContact CE1-CD1 3.41Å; F711-L715 VanDerWaalsContact CE1-CD1 3.41Å; F711-L715 HydrophobicContact CE1-CG 4.22Å; F711-L715 HydrophobicContact CZ-CD1 4.17Å; F711-L715 WeakPolarHBondContact O-CB 3.44Å; F711-L715 PolarHBondContact O-N 3.33Å; E713-L715 VanDerWaalsContact C-N 3.33Å; E713-L715 PolarHBondContact O-N 3.2Å
716	T	53.4	Low	57.9	Low	84 Å²	84	112.1 Å²	112.1	52%	0.515	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.5	7.6	177.8	53.4	0	0	0	0	113.5	D712 E713 T718	D712-T716 WeakPolarHBondContact O-CB 3.38Å; D712-T716 PolarHBondContact O-N 2.69Å; D712-T716 VanDerWaalsContact O-N 3.15Å; D712-T716 PolarHBondContact O-OG1 3.15Å; E713-T716 PolarHBondContact O-N 3.45Å; T716-T718 PolarHBondContact O-N 2.94Å
717	N	60.2	Low	58.6	Low	84 Å²	84	119.4 Å²	119.4	45%	0.449	56%	0.563	S	S	.	*			trans	-79.7	84.6	-179.2	-169.8	-20	0	0	0	112.5	E713 S719 S722	E713-N717 WeakPolarHBondContact O-CB 3.49Å; E713-N717 PolarHBondContact O-N 2.99Å; E713-N717 VanDerWaalsContact O-N 3.14Å; N717-S719 PolarHBondContact O-N 3.36Å; N717-S719 VanDerWaalsContact O-N 3.16Å; N717-S719 WeakPolarHBondContact OD1-CB 3.49Å; N717-S719 PolarHBondContact OD1-N 3.26Å; N717-S719 VanDerWaalsContact OD1-N 3.13Å; N717-S719 PolarHBondContact OD1-OG 3.46Å; N717-S719 VanDerWaalsContact OD1-OG 3.08Å; N717-S722 PolarHBondContact O-OG 3.24Å; N717-S722 PolarHBondContact OD1-OG 3.27Å
718	T	59	Low	58.9	Low	123 Å²	123	111.4 Å²	111.4	76%	0.755	55%	0.55	S	S	*	*			trans	-76.3	15.8	175.5	54	0	0	0	0	114.5	T716	T716-T718 PolarHBondContact O-N 2.94Å
719	S	73.8	Confident	58.3	Low	48 Å²	48	110.5 Å²	110.5	34%	0.336	58%	0.577	S	S	.	*			trans	-59.3	149.3	-178.1	79.4	0	0	0	0	112.8	N717 K721 S722 L723	N717-S719 PolarHBondContact O-N 3.36Å; N717-S719 VanDerWaalsContact O-N 3.16Å; N717-S719 WeakPolarHBondContact OD1-CB 3.49Å; N717-S719 PolarHBondContact OD1-N 3.26Å; N717-S719 VanDerWaalsContact OD1-N 3.13Å; N717-S719 PolarHBondContact OD1-OG 3.46Å; N717-S719 VanDerWaalsContact OD1-OG 3.08Å; S719-K721 PolarHBondContact O-N 3.13Å; S719-K721 PolarHBondContact OG-N 3.33Å; S719-S722 PolarHBondContact N-OG 3.37Å; S719-S722 PolarHBondContact O-N 3.4Å; S719-S722 PolarHBondContact O-OG 3.08Å; S719-S722 PolarHBondContact OG-N 3.13Å; S719-S722 PolarHBondContact OG-OG 3.13Å; S719-L723 PolarHBondContact O-N 2.86Å
720	R	56.6	Low	58.3	Low	230 Å²	230	113.3 Å²	113.3	87%	0.868	59%	0.587	S	S	*	*	H	α-helix	trans	-56.6	-18.4	172.3	-81.6	179.2	166	168.5	-5.1	113.6	K724	R720-K724 WeakPolarHBondContact O-CB 3.11Å; R720-K724 WeakPolarHBondContact O-CG 3.43Å; R720-K724 PolarHBondContact O-N 2.99Å; R720-K724 VanDerWaalsContact O-N 3.13Å
721	K	66.9	Low	58.7	Low	167 Å²	167	114.5 Å²	114.5	73%	0.726	59%	0.589	S	S	*	*	H	α-helix	trans	-83.6	-44.5	179	-162.3	170	-174.9	173.7	0	112.2	S719 K724 N725	S719-K721 PolarHBondContact O-N 3.13Å; S719-K721 PolarHBondContact OG-N 3.33Å; K721-K724 PolarHBondContact O-N 2.99Å; K721-N725 PolarHBondContact O-N 3.16Å; K721-N725 VanDerWaalsContact O-N 3.13Å; K721-N725 PolarHBondContact O-OD1 3.12Å
722	S	64.9	Low	59.2	Low	42 Å²	42	117.6 Å²	117.6	29%	0.294	61%	0.607	S	S	.	*	H	α-helix	trans	-63.5	-41.8	170.5	33.7	0	0	0	0	111.3	N717 S719 K724 N725 Y726	N717-S722 PolarHBondContact O-OG 3.24Å; N717-S722 PolarHBondContact OD1-OG 3.27Å; S719-S722 PolarHBondContact N-OG 3.37Å; S719-S722 PolarHBondContact O-N 3.4Å; S719-S722 PolarHBondContact O-OG 3.08Å; S719-S722 PolarHBondContact OG-N 3.13Å; S719-S722 PolarHBondContact OG-OG 3.13Å; S722-K724 PolarHBondContact O-N 3.02Å; S722-N725 PolarHBondContact O-N 3.19Å; S722-Y726 PolarHBondContact O-N 3.26Å
723	L	63.1	Low	59.5	Low	84 Å²	84	121.6 Å²	121.6	44%	0.44	63%	0.628	S	S	.	*	H	α-helix	trans	-64.4	-34.2	175.8	-106.5	161.2	0	0	0	114	S719 R727	S719-L723 PolarHBondContact O-N 2.86Å; L723-R727 WeakPolarHBondContact O-CG 3.43Å; L723-R727 PolarHBondContact O-N 2.74Å
724	K	61.2	Low	59.3	Low	162 Å²	162	122.2 Å²	122.2	70%	0.704	63%	0.634	S	S	*	*	H	α-helix	trans	-67.4	-44.5	171.6	-89	-166.1	172.8	-167.1	0	111.8	R720 K721 S722 Y726 R727 A728	R720-K724 WeakPolarHBondContact O-CB 3.11Å; R720-K724 WeakPolarHBondContact O-CG 3.43Å; R720-K724 PolarHBondContact O-N 2.99Å; R720-K724 VanDerWaalsContact O-N 3.13Å; K721-K724 PolarHBondContact O-N 2.99Å; S722-K724 PolarHBondContact O-N 3.02Å; K724-Y726 VanDerWaalsContact C-N 3.35Å; K724-Y726 PolarHBondContact O-N 3.32Å; K724-R727 PolarHBondContact O-N 3.36Å; K724-A728 PolarHBondContact O-N 2.68Å
725	N	62	Low	59.2	Low	118 Å²	118	123.6 Å²	123.6	63%	0.631	65%	0.645	S	S	*	*	H	α-helix	trans	-61.8	-41.5	177.9	-72.5	15.8	0	0	0	112	K721 S722 R727 A728	K721-N725 PolarHBondContact O-N 3.16Å; K721-N725 VanDerWaalsContact O-N 3.13Å; K721-N725 PolarHBondContact O-OD1 3.12Å; S722-N725 PolarHBondContact O-N 3.19Å; N725-R727 VanDerWaalsContact C-N 3.27Å; N725-R727 PolarHBondContact O-N 3.03Å; N725-A728 PolarHBondContact O-N 2.95Å
726	Y	57.3	Low	59.3	Low	200 Å²	200	125.1 Å²	125.1	78%	0.784	65%	0.653	S	S	*	*	H	α-helix	trans	-64.5	-30.2	177	-172.7	-94	0	0	0	113.2	S722 K724 A728	S722-Y726 PolarHBondContact O-N 3.26Å; K724-Y726 VanDerWaalsContact C-N 3.35Å; K724-Y726 PolarHBondContact O-N 3.32Å; Y726-A728 VanDerWaalsContact C-N 3.35Å
727	R	55.8	Low	59.8	Low	217 Å²	217	128.3 Å²	128.3	82%	0.819	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	-0.2	176.4	-74.7	-176.5	170.3	-166.3	-3.7	114.3	L723 K724 N725	L723-R727 WeakPolarHBondContact O-CG 3.43Å; L723-R727 PolarHBondContact O-N 2.74Å; K724-R727 PolarHBondContact O-N 3.36Å; N725-R727 VanDerWaalsContact C-N 3.27Å; N725-R727 PolarHBondContact O-N 3.03Å
728	A	54.5	Low	59.7	Low	84 Å²	84	132 Å²	132	69%	0.694	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	-23.4	-173.1	0	0	0	0	0	115.2	K724 N725 Y726	K724-A728 PolarHBondContact O-N 2.68Å; N725-A728 PolarHBondContact O-N 2.95Å; Y726-A728 VanDerWaalsContact C-N 3.35Å
729	G	41.8	Very low	59.8	Low	109 Å²	109	132.8 Å²	132.8	100%	1.124	68%	0.675	S	S	*	*			trans	100.4	0	-178.2	0	0	0	0	0	115.3

Retrieved 729 of 729 residues in 683.5 ms (Link to these results)

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