A0A087YCB1_POEFO Loading...

Tubulin beta chain

Tubulin is the major constituent of microtubules, a cylinder consisting of laterally associated linear protofilaments composed of alpha- and beta-tubulin heterodimers. Microtubules grow by the addition of GTP-tubulin dimers to the microtubule end, where a stabilizing cap forms. Below the cap, tubulin dimers are in GDP-bound state, owing to GTPase activity of alpha-tubulin.

AlphaFold DB , UniProt , Accession A0A087YCB1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 495 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	36	Very low	33.9	Very low	238 Å²	238	166 Å²	166	100%	1.172	85%	0.85	S	S	*	*				0	108.1	0	-99	167.6	-173.4	0	0	107
2	W	28.6	Very low	33.7	Very low	239 Å²	239	167.2 Å²	167.2	91%	0.905	85%	0.85	S	S	*	*			trans	-114.7	119.3	-173.2	-75	76.8	0	0	0	106.7
3	V	32.1	Very low	33.3	Very low	116 Å²	116	164.5 Å²	164.5	70%	0.703	85%	0.847	S	S	*	*				71.8	104.8	83.7	179.8	0	0	0	0	112.9
4	Y	32.4	Very low	33.2	Very low	216 Å²	216	165.5 Å²	165.5	85%	0.847	85%	0.853	S	S	*	*			trans	51.3	129.9	156.7	-75.7	-93.3	0	0	0	122.3
5	P	36.6	Very low	33	Very low	125 Å²	125	166.1 Å²	166.1	81%	0.812	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-79.5	143.3	175.6	32.9	-31.7	0	0	0	112.4
6	R	33.8	Very low	33.3	Very low	239 Å²	239	161.9 Å²	161.9	90%	0.902	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-70.4	149.9	-173.1	-62.6	179.5	-165.9	-167.6	2.5	113.2
7	P	34.7	Very low	33.1	Very low	113 Å²	113	165.8 Å²	165.8	73%	0.734	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-74.9	159.5	170.3	31.9	-33.6	0	0	0	112.3
8	P	37.4	Very low	33.1	Very low	119 Å²	119	165.6 Å²	165.6	77%	0.773	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-70.3	153.7	-180	29.7	-34.1	0	0	0	112.3
9	P	37.6	Very low	33.1	Very low	121 Å²	121	161.4 Å²	161.4	79%	0.786	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-71.8	154	176.7	30.3	-32.9	0	0	0	111.9
10	P	33	Very low	33.2	Very low	120 Å²	120	159.6 Å²	159.6	78%	0.779	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-76.5	154.2	-173.1	31.4	-34.3	0	0	0	113.3	E12	P10-E12 PolarHBondContact O-N 3.24Å
11	L	30.6	Very low	33.3	Very low	180 Å²	180	157.8 Å²	157.8	94%	0.942	81%	0.809	S	S	*	*			trans	-59.4	112.8	175	-80.8	107.7	0	0	0	111.4	T13	L11-T13 PolarHBondContact O-N 3.18Å
12	E	31.1	Very low	33.1	Very low	180 Å²	180	154.2 Å²	154.2	84%	0.841	79%	0.789	S	S	*	*			trans	-77.9	106.8	160.7	-79.8	177.7	158.7	0	0	109.2	P10 L14	P10-E12 PolarHBondContact O-N 3.24Å; E12-L14 PolarHBondContact O-N 3.46Å
13	T	29.5	Very low	33.2	Very low	133 Å²	133	152.8 Å²	152.8	82%	0.816	78%	0.784	S	S	*	*			trans	27.7	90.3	138.4	54.3	0	0	0	0	117.1	L11	L11-T13 PolarHBondContact O-N 3.18Å
14	L	30.9	Very low	33.2	Very low	178 Å²	178	154.7 Å²	154.7	93%	0.932	79%	0.785	S	S	*	*			trans	-89.6	109.7	151.3	-90.6	155.9	0	0	0	107.9	E12	E12-L14 PolarHBondContact O-N 3.46Å
15	Q	30.2	Very low	33.2	Very low	175 Å²	175	151 Å²	151	82%	0.818	78%	0.779	S	S	*	*			trans	-144.7	157.4	163.4	-113.8	-155.8	0.3	0	0	108.3
16	P	39	Very low	32.8	Very low	99 Å²	99	151.2 Å²	151.2	64%	0.643	77%	0.773	S	S	*	*				-123.1	-176.4	-104.1	30.2	-11.6	0	0	0	113.6	K18	P16-K18 VanDerWaalsContact C-N 3.3Å; P16-K18 PolarHBondContact O-N 2.92Å
17	Y	29.8	Very low	32.6	Very low	227 Å²	227	150.7 Å²	150.7	89%	0.89	77%	0.771	S	S	*	*			trans	-44.2	78.1	166.4	-88.2	-107.2	0	0	0	114.1
18	K	33	Very low	32.5	Very low	162 Å²	162	153.8 Å²	153.8	70%	0.704	78%	0.775	S	S	*	*			trans	-131.9	85.6	160.7	-83.9	-173.7	178.2	179.4	0	107.9	P16 E492	P16-K18 VanDerWaalsContact C-N 3.3Å; P16-K18 PolarHBondContact O-N 2.92Å; K18-E492 IonicContact NZ-OE1 3.52Å; K18-E492 PolarHBondContact NZ-OE1 2.64Å
19	S	32.9	Very low	32.1	Very low	87 Å²	87	156.7 Å²	156.7	61%	0.608	78%	0.778	S	S	*	*			trans	-166.3	3.9	162.1	63.1	0	0	0	0	117.3
20	I	34.8	Very low	31.8	Very low	125 Å²	125	155.8 Å²	155.8	64%	0.641	78%	0.775	S	S	*	*	S	Bend	trans	-81.4	-32.7	-179	-65.3	175.2	0	0	0	112
21	V	34.6	Very low	31.6	Very low	122 Å²	122	154.7 Å²	154.7	74%	0.739	78%	0.776	S	S	*	*	H	α-helix	trans	-76.9	-28.1	-175.2	-176.7	0	0	0	0	113.3
22	Q	32.2	Very low	31.4	Very low	162 Å²	162	152.2 Å²	152.2	76%	0.757	77%	0.771	S	S	*	*	H	α-helix	trans	-84.1	-12.4	179.1	-94.9	174.8	-14.8	0	0	114.6
23	R	30.4	Very low	31.4	Very low	209 Å²	209	155.7 Å²	155.7	79%	0.789	78%	0.776	S	S	*	*	H	α-helix	trans	-87	-22.7	-179.3	-107.6	-179.6	177.5	-169.8	0.9	114.3
24	E	32	Very low	31.3	Very low	156 Å²	156	154 Å²	154	73%	0.729	78%	0.776	S	S	*	*	H	α-helix	trans	-82.9	-25.8	178.4	-73.6	-163.6	147.1	0	0	113.6	L26	E24-L26 PolarHBondContact O-N 3.2Å
25	L	32.6	Very low	31.3	Very low	139 Å²	139	152.1 Å²	152.1	73%	0.728	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	-22.9	178.7	-93.1	132.7	0	0	0	114.2
26	L	29.3	Very low	31.2	Very low	130 Å²	130	151.9 Å²	151.9	68%	0.681	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-10.7	-178.4	-84.1	155.5	0	0	0	114.3	E24	E24-L26 PolarHBondContact O-N 3.2Å
27	W	29.8	Very low	30.7	Very low	228 Å²	228	151.3 Å²	151.3	86%	0.864	78%	0.778	S	S	*	*	G	3₁₀ helix	trans	-81.5	-16.7	-179.5	-151.7	-100.8	0	0	0	113.6
28	H	31.5	Very low	30.6	Very low	177 Å²	177	147.5 Å²	147.5	82%	0.819	78%	0.779	S	S	*	*	G	3₁₀ helix	trans	-86.9	-2.1	-176.2	-94.3	-58.9	0	0	0	115.6
29	Q	29.4	Very low	30.3	Very low	180 Å²	180	145 Å²	145	84%	0.841	78%	0.782	S	S	*	*	G	3₁₀ helix	trans	-116.1	7.2	-174.7	-74.1	-169.5	-4.3	0	0	116.3
30	S	30.6	Very low	30.2	Very low	103 Å²	103	147 Å²	147	72%	0.72	79%	0.793	S	S	*	*			trans	-147.2	84.4	179.8	41	0	0	0	0	114.5
31	A	28.4	Very low	29.8	Very low	96 Å²	96	152.3 Å²	152.3	79%	0.793	81%	0.805	S	S	*	*			trans	-151.1	130.1	154.4	0	0	0	0	0	111.7
32	P	27.6	Very low	29.7	Very low	128 Å²	128	152.5 Å²	152.5	83%	0.831	81%	0.811	S	S	*	*			trans	-80.3	148.8	-174.1	30.9	-33	0	0	0	113.6	A34	P32-A34 PolarHBondContact O-N 2.95Å
33	R	30.6	Very low	29.5	Very low	254 Å²	254	152.8 Å²	152.8	96%	0.958	82%	0.817	S	S	*	*			trans	-58	113.7	171.3	-81.1	176.3	165.7	172.4	-4	111.2
34	A	27.6	Very low	29.3	Very low	98 Å²	98	147.5 Å²	147.5	81%	0.81	81%	0.812	S	S	*	*			trans	-115.8	115.2	162.5	0	0	0	0	0	109.8	P32	P32-A34 PolarHBondContact O-N 2.95Å
35	V	30.7	Very low	29.1	Very low	137 Å²	137	149.2 Å²	149.2	83%	0.83	82%	0.82	S	S	*	*			trans	-78	124.3	171.9	173	0	0	0	0	108.1
36	L	28.1	Very low	28.8	Very low	171 Å²	171	151.7 Å²	151.7	90%	0.895	83%	0.825	S	S	*	*			trans	-153.9	116.8	157.1	-103.7	158.8	0	0	0	110.2
37	A	29.3	Very low	28.7	Very low	87 Å²	87	151.4 Å²	151.4	72%	0.719	83%	0.829	S	S	*	*			trans	-76	130.9	176.7	0	0	0	0	0	111.2
38	T	27.9	Very low	28.6	Very low	146 Å²	146	150.4 Å²	150.4	90%	0.896	83%	0.831	S	S	*	*			trans	-154.8	143.6	148.1	41.9	0	0	0	0	110.5
39	S	26.9	Very low	28.8	Very low	110 Å²	110	147.8 Å²	147.8	77%	0.769	83%	0.828	S	S	*	*			trans	-72	166	-169.6	56.3	0	0	0	0	115.2
40	P	30.5	Very low	29.4	Very low	129 Å²	129	143.3 Å²	143.3	84%	0.838	82%	0.816	S	S	*	*			trans	-86.5	135.3	-154.3	34.1	-31.8	0	0	0	113.1
41	R	25.1	Very low	30.3	Very low	237 Å²	237	142.3 Å²	142.3	89%	0.894	81%	0.806	S	S	*	*			trans	-113.4	126.7	159.3	-84.1	-176.3	174.3	177.4	-1.2	108.6	L43	R41-L43 PolarHBondContact O-N 3.02Å
42	S	32.8	Very low	31.7	Very low	125 Å²	125	141.8 Å²	141.8	87%	0.874	79%	0.788	S	S	*	*			trans	-41.8	108.7	177.4	52.5	0	0	0	0	113
43	L	28.2	Very low	34.1	Very low	168 Å²	168	140.3 Å²	140.3	88%	0.88	77%	0.766	S	S	*	*			trans	-96.9	110.8	159.7	-84	155.6	0	0	0	106.7	R41 E45	R41-L43 PolarHBondContact O-N 3.02Å; L43-E45 PolarHBondContact O-N 2.89Å
44	S	26.5	Very low	37	Very low	99 Å²	99	128.6 Å²	128.6	69%	0.692	72%	0.722	S	S	*	*			trans	-45.4	130.8	169.1	53.7	0	0	0	0	110.7	K46	S44-K46 PolarHBondContact O-N 3.49Å
45	E	27.3	Very low	40.2	Very low	191 Å²	191	124 Å²	124	89%	0.893	68%	0.684	S	S	*	*			trans	-47.6	104.9	164.8	-74.3	170.1	146.9	0	0	109.2	L43 T47	L43-E45 PolarHBondContact O-N 2.89Å; E45-T47 VanDerWaalsContact C-N 3.33Å; E45-T47 PolarHBondContact O-N 3Å
46	K	26.9	Very low	43.3	Very low	191 Å²	191	117.4 Å²	117.4	83%	0.83	64%	0.644	S	S	*	*			trans	-75.7	97.7	157.3	-77.7	-176.3	176.9	-178.5	0	105.4	S44 F48	S44-K46 PolarHBondContact O-N 3.49Å; K46-F48 PolarHBondContact O-N 3.03Å
47	T	26.4	Very low	46.6	Very low	124 Å²	124	109.3 Å²	109.3	76%	0.761	60%	0.601	S	S	*	*			trans	-47.7	110.2	159.3	-3.4	0	0	0	0	107.1	E45 T49	E45-T47 VanDerWaalsContact C-N 3.33Å; E45-T47 PolarHBondContact O-N 3Å; T47-T49 VanDerWaalsContact C-N 3.31Å; T47-T49 PolarHBondContact O-N 2.9Å
48	F	29.3	Very low	49.9	Very low	208 Å²	208	105.3 Å²	105.3	91%	0.912	57%	0.568	S	S	*	*			trans	-58.7	104.6	160.6	-106.9	-96.8	0	0	0	105	K46 S50	K46-F48 PolarHBondContact O-N 3.03Å; F48-S50 VanDerWaalsContact C-N 3.3Å; F48-S50 PolarHBondContact O-N 3.36Å
49	T	34	Very low	53.1	Low	122 Å²	122	98.3 Å²	98.3	75%	0.748	53%	0.525	S	S	*	.			trans	-60.6	102	165.4	49	0	0	0	0	105.4	T47 T51	T47-T49 VanDerWaalsContact C-N 3.31Å; T47-T49 PolarHBondContact O-N 2.9Å; T49-T51 PolarHBondContact O-N 3.16Å
50	S	43.3	Very low	56.4	Low	85 Å²	85	93.1 Å²	93.1	59%	0.594	49%	0.489	S	S	*	.			trans	-50.9	114.1	167.1	177.3	0	0	0	0	105.6	F48 M52	F48-S50 VanDerWaalsContact C-N 3.3Å; F48-S50 PolarHBondContact O-N 3.36Å; S50-M52 PolarHBondContact O-N 3.11Å; S50-M52 VanDerWaalsContact O-N 3.11Å
51	T	49.3	Very low	59.4	Low	82 Å²	82	87 Å²	87	50%	0.503	45%	0.449	S	S	.	.			trans	-54.1	124.5	169.6	40.7	0	0	0	0	106.4	T49 R53	T49-T51 PolarHBondContact O-N 3.16Å; T51-R53 VanDerWaalsContact O-CG 3.25Å; T51-R53 WeakPolarHBondContact O-CG 2.83Å
52	M	58.3	Low	62.6	Low	86 Å²	86	81.2 Å²	81.2	42%	0.424	43%	0.432	S	S	.	.			trans	-60.7	136.5	172.8	-65.3	-69.2	-130.5	0	0	107.1	S50 E54 S99 D179 C180	S50-M52 PolarHBondContact O-N 3.11Å; S50-M52 VanDerWaalsContact O-N 3.11Å; M52-E54 WeakPolarHBondContact CB-OE1 3.14Å; M52-S99 PolarHBondContact SD-OG 3.07Å; M52-D179 HydrophobicContact CB-CB 4.36Å; M52-C180 WeakPolarHBondContact O-CB 3.4Å
53	R	77.3	Confident	65.4	Low	97 Å²	97	76.8 Å²	76.8	37%	0.366	40%	0.401	S	S	.	.			trans	-132.9	93.8	-171.3	-59.7	-164.8	-175.2	-171.5	-1.7	110.6	T51 V100 Q182 D300	T51-R53 VanDerWaalsContact O-CG 3.25Å; T51-R53 WeakPolarHBondContact O-CG 2.83Å; R53-V100 WeakPolarHBondContact O-CG2 3.37Å; R53-Q182 HydrophobicContact CB-CG 3.56Å; R53-Q182 HydrophobicContact CG-CG 4.45Å; R53-Q182 PolarHBondContact O-NE2 3.36Å; R53-D300 IonicContact CZ-OD2 3.81Å; R53-D300 VanDerWaalsContact NH1-CG 3.29Å; R53-D300 IonicContact NH1-OD2 2.66Å; R53-D300 PolarHBondContact NH1-OD2 3.49Å
54	E	91.6	Very high	68.5	Low	7 Å²	7	68.8 Å²	68.8	3%	0.033	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	146.8	-171.3	-70.5	85	-177.4	0	0	113.4	M52 R113 C178 D179 C180 Q182	M52-E54 WeakPolarHBondContact CB-OE1 3.14Å; E54-R113 VanDerWaalsContact CG-NH1 3.33Å; E54-C178 HydrophobicContact CB-CB 3.69Å; E54-C178 WeakPolarHBondContact CB-SG 3.38Å; E54-C178 HydrophobicContact CG-CB 3.71Å; E54-D179 PolarHBondContact OE1-N 3.22Å; E54-D179 PolarHBondContact OE2-N 3.14Å; E54-C180 PolarHBondContact N-O 3.32Å; E54-C180 WeakPolarHBondContact OE2-CA 3.26Å; E54-C180 PolarHBondContact OE2-N 3.23Å; E54-C180 VanDerWaalsContact OE2-O 3.08Å; E54-Q182 WeakPolarHBondContact O-CB 3.44Å; E54-Q182 PolarHBondContact O-N 2.84Å
55	I	94.3	Very high	71.8	Confident	1 Å²	1	64 Å²	64	1%	0.005	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	133.8	168.2	-63.4	168.2	0	0	0	107.8	V100 Y101 R113 Q182 Q185 L291 L301	I55-V100 HydrophobicContact CB-CG1 4.5Å; I55-V100 HydrophobicContact CD1-CG1 3.75Å; I55-V100 HydrophobicContact CG1-CG1 4.07Å; I55-V100 PolarHBondContact N-O 3.45Å; I55-Y101 HydrophobicContact CB-CE1 4.38Å; I55-Y101 HydrophobicContact CD1-CE2 4.18Å; I55-Y101 HydrophobicContact CG2-CE1 4.16Å; I55-R113 WeakPolarHBondContact O-CD 2.9Å; I55-R113 PolarHBondContact O-NH1 2.64Å; I55-Q182 HydrophobicContact CG1-CB 4.22Å; I55-Q185 HydrophobicContact CG2-CB 3.98Å; I55-L291 HydrophobicContact CD1-CD1 3.67Å; I55-L301 HydrophobicContact CD1-CD1 3.68Å; I55-L301 HydrophobicContact CD1-CG 4.17Å; I55-L301 HydrophobicContact CG1-CD1 3.93Å
56	V	96.3	Very high	74.9	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	122.9	170.7	174.7	0	0	0	0	107.9	I58 R113 I115 E174 L181 G183 F184 Q185	V56-I58 HydrophobicContact CG1-CG1 4.27Å; V56-R113 VanDerWaalsContact CG2-CD 3.49Å; V56-R113 HydrophobicContact CG2-CG 4.09Å; V56-I115 HydrophobicContact CG1-CD1 3.87Å; V56-E174 HydrophobicContact CG2-CB 4.32Å; V56-L181 HydrophobicContact CB-CD1 4.41Å; V56-L181 HydrophobicContact CG2-CD1 3.7Å; V56-G183 PolarHBondContact N-O 3.48Å; V56-F184 HydrophobicContact CB-CD1 3.71Å; V56-F184 HydrophobicContact CB-CE1 3.95Å; V56-F184 HydrophobicContact CG1-CD1 3.98Å; V56-F184 HydrophobicContact CG1-CE1 4.19Å; V56-F184 HydrophobicContact CG2-CD1 4.47Å; V56-F184 HydrophobicContact CG2-CE1 4.23Å; V56-F184 WeakPolarHBondContact O-CA 3.31Å; V56-Q185 PolarHBondContact O-N 3.4Å
57	H	97.4	Very high	78.1	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	132.7	179.5	-175.7	68.7	0	0	0	110.8	Q59 W72 R113 A114 I115 Q185	H57-Q59 PolarHBondContact CD2-NE2 3.47Å; H57-Q59 VanDerWaalsContact NE2-CG 3.31Å; H57-Q59 WeakPolarHBondContact NE2-CG 3.36Å; H57-Q59 PolarHBondContact NE2-NE2 2.97Å; H57-W72 HydrophobicContact CB-CZ2 3.78Å; H57-W72 AromaticContact CD2-CE2 3.81Å; H57-W72 AromaticContact CD2-CZ2 3.89Å; H57-W72 AromaticContact CD2-NE1 3.24Å; H57-W72 PolarHBondContact CD2-NE1 3.13Å; H57-W72 AromaticContact NE2-NE1 3.75Å; H57-R113 PolarHBondContact N-O 3.28Å; H57-A114 CarbonylContact O-C 3.57Å; H57-A114 VanDerWaalsContact O-CA 3.3Å; H57-A114 WeakPolarHBondContact O-CA 3.36Å; H57-I115 PolarHBondContact O-N 3.39Å; H57-Q185 CarbonylContact C-O 3.5Å; H57-Q185 WeakPolarHBondContact CA-O 3.36Å; H57-Q185 PolarHBondContact ND1-O 2.83Å
58	I	97.6	Very high	81.3	Confident	3 Å²	3	43.5 Å²	43.5	2%	0.015	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	136	-178.3	-53.1	175	0	0	0	108.1	V56 I115 V117 V171 F184 Q185 L186 T187 I206	V56-I58 HydrophobicContact CG1-CG1 4.27Å; I58-I115 WeakPolarHBondContact CA-O 3.33Å; I58-I115 HydrophobicContact CG1-CB 4.49Å; I58-I115 HydrophobicContact CG1-CD1 4.49Å; I58-V117 HydrophobicContact CG2-CG2 4.38Å; I58-V171 HydrophobicContact CD1-CG2 4.02Å; I58-F184 HydrophobicContact CD1-CD1 4.18Å; I58-Q185 PolarHBondContact N-O 3.43Å; I58-L186 HydrophobicContact CB-CD1 3.79Å; I58-L186 HydrophobicContact CG2-CD1 3.62Å; I58-L186 CarbonylContact O-C 3.58Å; I58-L186 VanDerWaalsContact O-CA 3.31Å; I58-L186 WeakPolarHBondContact O-CA 3.25Å; I58-T187 PolarHBondContact O-N 3.25Å; I58-T187 PolarHBondContact O-OG1 3.39Å; I58-I206 HydrophobicContact CD1-CD1 3.45Å; I58-I206 VanDerWaalsContact CD1-CD1 3.45Å
59	Q	96.4	Very high	84.4	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	122	178.9	-52	-178.9	11.8	0	0	108.7	H57 N65 G68 I115 V117 T187	H57-Q59 PolarHBondContact CD2-NE2 3.47Å; H57-Q59 VanDerWaalsContact NE2-CG 3.31Å; H57-Q59 WeakPolarHBondContact NE2-CG 3.36Å; H57-Q59 PolarHBondContact NE2-NE2 2.97Å; Q59-N65 PolarHBondContact OE1-O 3.43Å; Q59-G68 VanDerWaalsContact CD-CA 3.43Å; Q59-G68 VanDerWaalsContact NE2-C 3.32Å; Q59-G68 VanDerWaalsContact NE2-CA 3.3Å; Q59-G68 PolarHBondContact NE2-O 3.14Å; Q59-I115 PolarHBondContact N-O 3.36Å; Q59-V117 WeakPolarHBondContact O-CA 3.46Å; Q59-V117 WeakPolarHBondContact O-CB 3.25Å; Q59-V117 PolarHBondContact O-N 2.87Å; Q59-T187 WeakPolarHBondContact CG-OG1 3.32Å
60	A	95.6	Very high	87.2	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	128.2	-176.2	0	0	0	0	0	112.2	V117 L186 T187 H188 G195	A60-V117 WeakPolarHBondContact CA-O 3.09Å; A60-L186 HydrophobicContact CB-CD1 4.06Å; A60-T187 PolarHBondContact N-O 3.18Å; A60-H188 HydrophobicContact CB-CB 4.29Å; A60-G195 WeakPolarHBondContact O-CA 3.4Å
61	G	94	Very high	89.7	Confident	1 Å²	1	28.1 Å²	28.1	1%	0.01	14%	0.141	C	C	.	.	H	α-helix	trans	72.8	176.8	176.7	0	0	0	0	0	114.4	C63 G64 N65 V117	G61-C63 PolarHBondContact O-N 3.42Å; G61-G64 PolarHBondContact O-N 2.79Å; G61-N65 WeakPolarHBondContact O-CB 3.46Å; G61-N65 PolarHBondContact O-N 3.08Å; G61-N65 PolarHBondContact O-ND2 3.16Å; G61-V117 PolarHBondContact N-O 3.29Å
62	Q	92	Very high	91.9	Very high	115 Å²	115	24.2 Å²	24.2	54%	0.537	12%	0.117	S	C	.	.	H	α-helix	trans	-56	-49	-173.9	-173.9	-176.3	6.4	0	0	113.5	Q66 D118	Q62-Q66 VanDerWaalsContact O-CG 3.32Å; Q62-Q66 WeakPolarHBondContact O-CG 3.27Å; Q62-Q66 PolarHBondContact O-N 3.33Å; Q62-Q66 VanDerWaalsContact O-N 3.14Å; Q62-D118 PolarHBondContact N-OD2 3.45Å
63	C	91.8	Very high	93.5	Very high	32 Å²	32	22.4 Å²	22.4	22%	0.216	11%	0.107	C	C	.	.	H	α-helix	trans	-67.2	-44.9	-179.4	179.7	0	0	0	0	111.8	G61 N65 Q66 I67	G61-C63 PolarHBondContact O-N 3.42Å; C63-N65 PolarHBondContact O-N 3.33Å; C63-Q66 PolarHBondContact O-N 2.8Å; C63-I67 WeakPolarHBondContact O-CG1 3.37Å; C63-I67 PolarHBondContact O-N 3.49Å; C63-I67 VanDerWaalsContact SG-CD1 3.56Å
64	G	93.6	Very high	94.3	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-58.7	-46.6	178.4	0	0	0	0	0	112.3	G61 Q66 G68 T187	G61-G64 PolarHBondContact O-N 2.79Å; G64-Q66 PolarHBondContact O-N 3.14Å; G64-G68 WeakPolarHBondContact O-CA 3.36Å; G64-G68 PolarHBondContact O-N 3.26Å; G64-T187 VanDerWaalsContact CA-O 3.28Å; G64-T187 WeakPolarHBondContact CA-O 3.47Å; G64-T187 PolarHBondContact O-OG1 2.95Å
65	N	94.8	Very high	94.3	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-66.4	-36.3	178.1	-75.6	-68.3	0	0	0	113	Q59 G61 C63 A69 V117 T123 V127	Q59-N65 PolarHBondContact OE1-O 3.43Å; G61-N65 WeakPolarHBondContact O-CB 3.46Å; G61-N65 PolarHBondContact O-N 3.08Å; G61-N65 PolarHBondContact O-ND2 3.16Å; C63-N65 PolarHBondContact O-N 3.33Å; N65-A69 WeakPolarHBondContact O-CB 3.25Å; N65-A69 PolarHBondContact O-N 2.78Å; N65-V117 PolarHBondContact ND2-O 3.05Å; N65-T123 HydrophobicContact CB-CG2 3.6Å; N65-V127 HydrophobicContact CB-CG2 4.07Å
66	Q	92.7	Very high	94.3	Very high	69 Å²	69	18.8 Å²	18.8	32%	0.322	10%	0.097	S	C	.	.	H	α-helix	trans	-67.9	-45.7	176.8	-75	179.6	39.4	0	0	112.6	Q62 C63 G64 K70	Q62-Q66 VanDerWaalsContact O-CG 3.32Å; Q62-Q66 WeakPolarHBondContact O-CG 3.27Å; Q62-Q66 PolarHBondContact O-N 3.33Å; Q62-Q66 VanDerWaalsContact O-N 3.14Å; C63-Q66 PolarHBondContact O-N 2.8Å; G64-Q66 PolarHBondContact O-N 3.14Å; Q66-K70 PolarHBondContact O-N 3.17Å
67	I	93.8	Very high	94	Very high	6 Å²	6	21.3 Å²	21.3	3%	0.031	11%	0.11	C	C	.	.	H	α-helix	trans	-67.4	-44.8	178.1	-70.5	169.3	0	0	0	109.9	C63 K70 F71 V220 N277 V280 M284	C63-I67 WeakPolarHBondContact O-CG1 3.37Å; C63-I67 PolarHBondContact O-N 3.49Å; C63-I67 VanDerWaalsContact SG-CD1 3.56Å; I67-K70 CarbonylContact O-C 3.52Å; I67-K70 PolarHBondContact O-N 2.84Å; I67-F71 WeakPolarHBondContact O-CB 3.31Å; I67-F71 PolarHBondContact O-N 3.32Å; I67-V220 HydrophobicContact CD1-CG2 3.38Å; I67-N277 WeakPolarHBondContact CG1-OD1 3.45Å; I67-V280 HydrophobicContact CD1-CG1 4.25Å; I67-V280 HydrophobicContact CG1-CG1 4.42Å; I67-V280 HydrophobicContact CG2-CB 4.25Å; I67-V280 HydrophobicContact CG2-CG1 3.45Å; I67-V280 VanDerWaalsContact CG2-CG1 3.45Å; I67-M284 HydrophobicContact CG2-SD 3.5Å; I67-M284 WeakPolarHBondContact CG2-SD 3.29Å
68	G	94.4	Very high	93.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-63.1	-40.9	178.3	0	0	0	0	0	112.8	Q59 G64 K70 F71 W72	Q59-G68 VanDerWaalsContact CD-CA 3.43Å; Q59-G68 VanDerWaalsContact NE2-C 3.32Å; Q59-G68 VanDerWaalsContact NE2-CA 3.3Å; Q59-G68 PolarHBondContact NE2-O 3.14Å; G64-G68 WeakPolarHBondContact O-CA 3.36Å; G64-G68 PolarHBondContact O-N 3.26Å; G68-K70 VanDerWaalsContact C-N 3.32Å; G68-K70 PolarHBondContact O-N 3.12Å; G68-F71 WeakPolarHBondContact O-CB 3.24Å; G68-F71 PolarHBondContact O-N 2.88Å; G68-W72 PolarHBondContact O-N 2.89Å
69	A	94	Very high	93.4	Very high	24 Å²	24	21.8 Å²	21.8	20%	0.198	11%	0.112	C	C	.	.	H	α-helix	trans	-59.9	-42.3	172.4	0	0	0	0	0	111.9	N65 W72 E73 V127	N65-A69 WeakPolarHBondContact O-CB 3.25Å; N65-A69 PolarHBondContact O-N 2.78Å; A69-W72 PolarHBondContact O-N 3.32Å; A69-E73 PolarHBondContact O-N 3.28Å; A69-V127 HydrophobicContact CB-CG1 4.36Å
70	K	93.3	Very high	93.1	Very high	68 Å²	68	22.6 Å²	22.6	30%	0.296	12%	0.12	S	C	.	.	H	α-helix	trans	-68.5	-35.9	175.3	-76.4	-71.4	168.6	-159.4	0	112.9	Q66 I67 G68 E73 V74 N277	Q66-K70 PolarHBondContact O-N 3.17Å; I67-K70 CarbonylContact O-C 3.52Å; I67-K70 PolarHBondContact O-N 2.84Å; G68-K70 VanDerWaalsContact C-N 3.32Å; G68-K70 PolarHBondContact O-N 3.12Å; K70-E73 IonicContact NZ-OE1 3.42Å; K70-E73 PolarHBondContact NZ-OE1 3Å; K70-E73 IonicContact NZ-OE2 2.9Å; K70-E73 PolarHBondContact NZ-OE2 2.66Å; K70-E73 PolarHBondContact O-N 2.98Å; K70-V74 WeakPolarHBondContact O-CG2 3.49Å; K70-V74 PolarHBondContact O-N 3.05Å; K70-N277 HydrophobicContact CG-CB 4.2Å
71	F	94.9	Very high	93	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-59	-50.7	172.5	168.6	-108	0	0	0	110.8	I67 G68 E73 V74 I75 Y101 M284 T288	I67-F71 WeakPolarHBondContact O-CB 3.31Å; I67-F71 PolarHBondContact O-N 3.32Å; G68-F71 WeakPolarHBondContact O-CB 3.24Å; G68-F71 PolarHBondContact O-N 2.88Å; F71-E73 VanDerWaalsContact C-N 3.34Å; F71-E73 PolarHBondContact O-N 3.49Å; F71-V74 PolarHBondContact O-N 3.16Å; F71-V74 VanDerWaalsContact O-N 3.17Å; F71-I75 HydrophobicContact CD1-CD1 4.33Å; F71-I75 HydrophobicContact CD2-CG2 4Å; F71-I75 HydrophobicContact CE1-CD1 3.66Å; F71-I75 HydrophobicContact CE1-CG1 4.34Å; F71-I75 HydrophobicContact CE2-CD1 4.43Å; F71-I75 HydrophobicContact CE2-CG2 3.57Å; F71-I75 HydrophobicContact CZ-CD1 3.73Å; F71-I75 HydrophobicContact CZ-CG1 4.36Å; F71-I75 HydrophobicContact CZ-CG2 3.95Å; F71-I75 WeakPolarHBondContact O-CG1 3.33Å; F71-I75 PolarHBondContact O-N 3.29Å; F71-Y101 HydrophobicContact CE1-CD1 4.35Å; F71-Y101 HydrophobicContact CE1-CE1 4.05Å; F71-Y101 HydrophobicContact CZ-CD1 4.48Å; F71-Y101 AromaticContact CZ-CE1 3.96Å; F71-Y101 HydrophobicContact CZ-CE1 3.96Å; F71-M284 HydrophobicContact CB-CE 3.74Å; F71-M284 HydrophobicContact CB-SD 4.03Å; F71-M284 HydrophobicContact CD1-CE 4.03Å; F71-M284 HydrophobicContact CD2-CB 3.53Å; F71-M284 HydrophobicContact CD2-CE 3.71Å; F71-M284 HydrophobicContact CD2-SD 4.3Å; F71-M284 HydrophobicContact CE2-CB 3.94Å; F71-M284 HydrophobicContact CE2-CE 4.29Å; F71-M284 HydrophobicContact CG-CB 4.43Å; F71-M284 HydrophobicContact CG-CE 3.54Å; F71-M284 HydrophobicContact CG-SD 4.32Å; F71-T288 HydrophobicContact CE2-CG2 4.33Å; F71-T288 HydrophobicContact CZ-CG2 4.35Å
72	W	95.4	Very high	92.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.7	-36.8	177.9	-74.3	111.8	0	0	0	113.5	H57 G68 A69 I75 S76 Y101 Y102 P112 A114 F136	H57-W72 HydrophobicContact CB-CZ2 3.78Å; H57-W72 AromaticContact CD2-CE2 3.81Å; H57-W72 AromaticContact CD2-CZ2 3.89Å; H57-W72 AromaticContact CD2-NE1 3.24Å; H57-W72 PolarHBondContact CD2-NE1 3.13Å; H57-W72 AromaticContact NE2-NE1 3.75Å; G68-W72 PolarHBondContact O-N 2.89Å; A69-W72 PolarHBondContact O-N 3.32Å; W72-I75 HydrophobicContact CD2-CD1 4.18Å; W72-I75 HydrophobicContact CE3-CD1 3.41Å; W72-I75 VanDerWaalsContact CE3-CD1 3.41Å; W72-I75 HydrophobicContact CE3-CG1 3.91Å; W72-I75 HydrophobicContact CH2-CD1 4.26Å; W72-I75 HydrophobicContact CZ3-CD1 3.46Å; W72-I75 VanDerWaalsContact CZ3-CD1 3.46Å; W72-I75 HydrophobicContact CZ3-CG1 4.41Å; W72-S76 WeakPolarHBondContact O-CB 3.31Å; W72-S76 PolarHBondContact O-N 3.42Å; W72-S76 PolarHBondContact O-OG 3.27Å; W72-Y101 AromaticContact CH2-CD1 3.73Å; W72-Y101 HydrophobicContact CH2-CD1 3.73Å; W72-Y101 HydrophobicContact CH2-CG 4.23Å; W72-Y101 VanDerWaalsContact CH2-O 3.31Å; W72-Y101 WeakPolarHBondContact CH2-O 3.44Å; W72-Y101 HydrophobicContact CZ2-CD1 4.32Å; W72-Y101 HydrophobicContact CZ3-CD1 4.36Å; W72-Y102 HydrophobicContact CE3-CE1 4.23Å; W72-Y102 AromaticContact CE3-CZ 3.93Å; W72-Y102 HydrophobicContact CZ3-CD2 4.49Å; W72-Y102 HydrophobicContact CZ3-CE1 4.06Å; W72-Y102 HydrophobicContact CZ3-CE2 4.02Å; W72-Y102 AromaticContact CZ3-CZ 3.78Å; W72-P112 HydrophobicContact CD2-CB 3.88Å; W72-P112 HydrophobicContact CD2-CG 4.16Å; W72-P112 HydrophobicContact CE3-CB 3.65Å; W72-P112 HydrophobicContact CE3-CG 3.75Å; W72-P112 HydrophobicContact CH2-CB 3.65Å; W72-P112 HydrophobicContact CZ2-CB 3.85Å; W72-P112 HydrophobicContact CZ3-CB 3.54Å; W72-P112 HydrophobicContact CZ3-CG 3.97Å; W72-A114 HydrophobicContact CZ2-CB 3.69Å; W72-F136 HydrophobicContact CB-CE1 4.38Å; W72-F136 HydrophobicContact CB-CZ 3.91Å; W72-F136 AromaticContact CD1-CE1 3.47Å; W72-F136 VanDerWaalsContact CD1-CE1 3.47Å; W72-F136 AromaticContact CD1-CZ 3.5Å; W72-F136 HydrophobicContact CD2-CE1 4.28Å; W72-F136 AromaticContact CG-CE1 3.81Å; W72-F136 HydrophobicContact CG-CE1 3.81Å; W72-F136 AromaticContact CG-CZ 3.78Å; W72-F136 HydrophobicContact CG-CZ 3.78Å; W72-F136 AromaticContact NE1-CE1 3.78Å
73	E	93.2	Very high	92.9	Very high	47 Å²	47	21.6 Å²	21.6	22%	0.22	12%	0.121	C	C	.	.	H	α-helix	trans	-58.7	-49.7	172.1	179.1	178.5	158.2	0	0	110.8	A69 K70 F71 S76 D77 F132	A69-E73 PolarHBondContact O-N 3.28Å; K70-E73 IonicContact NZ-OE1 3.42Å; K70-E73 PolarHBondContact NZ-OE1 3Å; K70-E73 IonicContact NZ-OE2 2.9Å; K70-E73 PolarHBondContact NZ-OE2 2.66Å; K70-E73 PolarHBondContact O-N 2.98Å; F71-E73 VanDerWaalsContact C-N 3.34Å; F71-E73 PolarHBondContact O-N 3.49Å; E73-S76 PolarHBondContact O-N 3.47Å; E73-D77 WeakPolarHBondContact O-CB 3.38Å; E73-D77 PolarHBondContact O-N 2.91Å; E73-F132 HydrophobicContact CB-CD2 3.93Å; E73-F132 HydrophobicContact CB-CE2 4.3Å; E73-F132 HydrophobicContact CG-CD2 3.8Å; E73-F132 HydrophobicContact CG-CE2 3.81Å
74	V	92.5	Very high	92.8	Very high	30 Å²	30	24 Å²	24	18%	0.182	14%	0.136	C	C	.	.	H	α-helix	trans	-65.6	-45.6	-178.7	171.7	0	0	0	0	112.1	K70 F71 D77 E78	K70-V74 WeakPolarHBondContact O-CG2 3.49Å; K70-V74 PolarHBondContact O-N 3.05Å; F71-V74 PolarHBondContact O-N 3.16Å; F71-V74 VanDerWaalsContact O-N 3.17Å; V74-D77 PolarHBondContact O-N 2.75Å; V74-E78 WeakPolarHBondContact O-CG 3.47Å; V74-E78 PolarHBondContact O-N 3.11Å
75	I	93.4	Very high	92.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-73.7	-32.6	-179.2	63.9	160.2	0	0	0	112.2	F71 W72 D77 E78 H79 Y101 Y102	F71-I75 HydrophobicContact CD1-CD1 4.33Å; F71-I75 HydrophobicContact CD2-CG2 4Å; F71-I75 HydrophobicContact CE1-CD1 3.66Å; F71-I75 HydrophobicContact CE1-CG1 4.34Å; F71-I75 HydrophobicContact CE2-CD1 4.43Å; F71-I75 HydrophobicContact CE2-CG2 3.57Å; F71-I75 HydrophobicContact CZ-CD1 3.73Å; F71-I75 HydrophobicContact CZ-CG1 4.36Å; F71-I75 HydrophobicContact CZ-CG2 3.95Å; F71-I75 WeakPolarHBondContact O-CG1 3.33Å; F71-I75 PolarHBondContact O-N 3.29Å; W72-I75 HydrophobicContact CD2-CD1 4.18Å; W72-I75 HydrophobicContact CE3-CD1 3.41Å; W72-I75 VanDerWaalsContact CE3-CD1 3.41Å; W72-I75 HydrophobicContact CE3-CG1 3.91Å; W72-I75 HydrophobicContact CH2-CD1 4.26Å; W72-I75 HydrophobicContact CZ3-CD1 3.46Å; W72-I75 VanDerWaalsContact CZ3-CD1 3.46Å; W72-I75 HydrophobicContact CZ3-CG1 4.41Å; I75-D77 VanDerWaalsContact C-N 3.34Å; I75-E78 PolarHBondContact O-N 2.95Å; I75-H79 PolarHBondContact O-CD2 2.81Å; I75-H79 PolarHBondContact O-N 3.21Å; I75-Y101 HydrophobicContact CD1-CD1 4.41Å; I75-Y101 HydrophobicContact CD1-CG 4.24Å; I75-Y102 HydrophobicContact CD1-CE2 4.27Å
76	S	93.1	Very high	92.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63.3	-44.4	173.8	-58.1	0	0	0	0	110.4	W72 E73 E78 H79 G80 I81 Y102 F132	W72-S76 WeakPolarHBondContact O-CB 3.31Å; W72-S76 PolarHBondContact O-N 3.42Å; W72-S76 PolarHBondContact O-OG 3.27Å; E73-S76 PolarHBondContact O-N 3.47Å; S76-E78 VanDerWaalsContact C-N 3.33Å; S76-E78 PolarHBondContact O-N 2.77Å; S76-H79 CarbonylContact O-C 3.53Å; S76-H79 PolarHBondContact O-N 3.43Å; S76-G80 PolarHBondContact O-N 2.76Å; S76-I81 PolarHBondContact O-N 2.86Å; S76-Y102 WeakPolarHBondContact CA-OH 3.43Å; S76-Y102 WeakPolarHBondContact CB-OH 3.23Å; S76-Y102 PolarHBondContact N-OH 2.78Å; S76-Y102 PolarHBondContact OG-OH 2.78Å; S76-F132 VanDerWaalsContact CB-CE1 3.49Å
77	D	91	Very high	92.5	Very high	53 Å²	53	25.2 Å²	25.2	28%	0.283	14%	0.142	S	C	.	.	H	α-helix	trans	-59.7	-41.5	173.7	-82.5	-19.2	0	0	0	112.4	E73 V74 I75 H79 G80 R410	E73-D77 WeakPolarHBondContact O-CB 3.38Å; E73-D77 PolarHBondContact O-N 2.91Å; V74-D77 PolarHBondContact O-N 2.75Å; I75-D77 VanDerWaalsContact C-N 3.34Å; D77-H79 VanDerWaalsContact C-N 3.33Å; D77-G80 PolarHBondContact O-N 3.43Å; D77-R410 IonicContact OD1-NH1 3.82Å; D77-R410 PolarHBondContact OD1-NH1 3.21Å; D77-R410 VanDerWaalsContact OD1-NH1 3.15Å; D77-R410 IonicContact OD2-CZ 2.78Å; D77-R410 IonicContact OD2-NH1 3.15Å; D77-R410 PolarHBondContact OD2-NH1 3.3Å
78	E	90.4	Very high	92.3	Very high	10 Å²	10	31.2 Å²	31.2	5%	0.047	17%	0.17	C	C	.	.	H	α-helix	trans	-67.2	-33	177.6	-75.7	-174	-172.8	0	0	113.1	V74 I75 S76 Q94 S285 R292 F293 R369	V74-E78 WeakPolarHBondContact O-CG 3.47Å; V74-E78 PolarHBondContact O-N 3.11Å; I75-E78 PolarHBondContact O-N 2.95Å; S76-E78 VanDerWaalsContact C-N 3.33Å; S76-E78 PolarHBondContact O-N 2.77Å; E78-Q94 PolarHBondContact O-NE2 3.4Å; E78-S285 PolarHBondContact OE1-OG 2.92Å; E78-S285 PolarHBondContact OE2-OG 2.97Å; E78-R292 IonicContact OE2-CZ 3.68Å; E78-R292 VanDerWaalsContact OE2-CZ 3.25Å; E78-R292 IonicContact OE2-NH1 2.71Å; E78-R292 PolarHBondContact OE2-NH1 3.47Å; E78-R292 IonicContact OE2-NH2 3.84Å; E78-R292 PolarHBondContact OE2-NH2 2.98Å; E78-F293 HydrophobicContact CB-CZ 4.21Å; E78-R369 IonicContact OE1-CZ 2.69Å; E78-R369 IonicContact OE1-NH1 3.27Å; E78-R369 PolarHBondContact OE1-NH1 3Å; E78-R369 IonicContact OE1-NH2 3.3Å; E78-R369 PolarHBondContact OE1-NH2 3.21Å; E78-R369 IonicContact OE2-CZ 2.85Å; E78-R369 IonicContact OE2-NH1 3.3Å; E78-R369 PolarHBondContact OE2-NH1 2.92Å; E78-R369 IonicContact OE2-NH2 2.82Å; E78-R369 PolarHBondContact OE2-NH2 3.06Å
79	H	90.8	Very high	91.8	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.009	18%	0.179	C	C	.	.	H	α-helix	trans	-88.7	0.1	175.8	-74.1	-74.8	0	0	0	113.4	I75 S76 D77 I81 Y87 Q94 I98 R292 F293	I75-H79 PolarHBondContact O-CD2 2.81Å; I75-H79 PolarHBondContact O-N 3.21Å; S76-H79 CarbonylContact O-C 3.53Å; S76-H79 PolarHBondContact O-N 3.43Å; D77-H79 VanDerWaalsContact C-N 3.33Å; H79-I81 VanDerWaalsContact C-N 3.29Å; H79-I81 HydrophobicContact CB-CD1 4.19Å; H79-I81 HydrophobicContact CB-CG1 4.31Å; H79-I81 PolarHBondContact O-N 2.92Å; H79-Y87 VanDerWaalsContact O-CD2 3.26Å; H79-Y87 WeakPolarHBondContact O-CD2 3.43Å; H79-Y87 WeakPolarHBondContact O-CE2 3.45Å; H79-Q94 PolarHBondContact ND1-O 3.12Å; H79-I98 HydrophobicContact CB-CD1 3.56Å; H79-I98 WeakPolarHBondContact ND1-CD1 3.49Å; H79-R292 PolarHBondContact NE2-NH1 2.79Å; H79-F293 AromaticContact CE1-CE1 3.58Å; H79-F293 AromaticContact CE1-CZ 3.81Å; H79-F293 AromaticContact ND1-CE1 3.89Å; H79-F293 AromaticContact NE2-CZ 3.99Å
80	G	90.8	Very high	91.3	Very high	17 Å²	17	39 Å²	39	18%	0.175	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	26.8	-179.8	0	0	0	0	0	113.9	S76 D77 H88 G89	S76-G80 PolarHBondContact O-N 2.76Å; D77-G80 PolarHBondContact O-N 3.43Å; G80-H88 PolarHBondContact O-N 3.33Å; G80-G89 PolarHBondContact O-N 2.82Å
81	I	92.9	Very high	90.8	Very high	5 Å²	5	37.9 Å²	37.9	3%	0.026	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-91	128.9	176.7	-64.4	170.2	0	0	0	109.1	S76 H79 I98 Y102 Y110 F132 I135	S76-I81 PolarHBondContact O-N 2.86Å; H79-I81 VanDerWaalsContact C-N 3.29Å; H79-I81 HydrophobicContact CB-CD1 4.19Å; H79-I81 HydrophobicContact CB-CG1 4.31Å; H79-I81 PolarHBondContact O-N 2.92Å; I81-I98 HydrophobicContact CD1-CD1 3.7Å; I81-I98 HydrophobicContact CD1-CG1 4.18Å; I81-Y102 HydrophobicContact CD1-CD1 3.78Å; I81-Y102 HydrophobicContact CD1-CD2 4.06Å; I81-Y102 HydrophobicContact CD1-CE1 3.6Å; I81-Y102 HydrophobicContact CD1-CE2 3.91Å; I81-Y102 HydrophobicContact CD1-CG 4.01Å; I81-Y110 HydrophobicContact CD1-CD2 4.26Å; I81-Y110 HydrophobicContact CD1-CG 4.03Å; I81-Y110 HydrophobicContact CG1-CD2 4.35Å; I81-F132 WeakPolarHBondContact O-CE1 3.35Å; I81-I135 HydrophobicContact CG2-CD1 3.71Å
82	D	92.4	Very high	90.3	Very high	35 Å²	35	44.4 Å²	44.4	19%	0.187	25%	0.248	C	C	.	.			trans	-83	171.4	175.8	76.6	12.8	0	0	0	112.8	T84 G85 T86 H88	D82-T84 PolarHBondContact O-N 2.83Å; D82-T84 VanDerWaalsContact OD1-CA 3.26Å; D82-T84 WeakPolarHBondContact OD1-CA 3.38Å; D82-T84 WeakPolarHBondContact OD1-CB 3.26Å; D82-T84 PolarHBondContact OD1-N 3.43Å; D82-T84 PolarHBondContact OD1-OG1 2.91Å; D82-T84 PolarHBondContact OD2-OG1 3.16Å; D82-G85 PolarHBondContact O-N 2.95Å; D82-G85 PolarHBondContact OD1-N 3.28Å; D82-T86 PolarHBondContact N-O 2.8Å; D82-T86 PolarHBondContact OD1-N 3.17Å; D82-T86 PolarHBondContact OD1-OG1 3.32Å; D82-T86 VanDerWaalsContact OD1-OG1 3.11Å; D82-T86 PolarHBondContact OD2-OG1 3.4Å; D82-H88 IonicContact OD2-CD2 3.21Å; D82-H88 PolarHBondContact OD2-CD2 3.28Å; D82-H88 IonicContact OD2-NE2 3.27Å; D82-H88 PolarHBondContact OD2-NE2 3.37Å
83	P	91.9	Very high	89.8	Confident	55 Å²	55	47.7 Å²	47.7	36%	0.357	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-14.1	177.3	-28.5	38	0	0	0	115.8	P131 F132	P83-P131 WeakPolarHBondContact CB-O 3.44Å; P83-F132 HydrophobicContact CB-CD1 4.39Å; P83-F132 HydrophobicContact CG-CD1 4.28Å; P83-F132 HydrophobicContact CG-CE1 4.07Å; P83-F132 HydrophobicContact CG-CE2 4.41Å; P83-F132 HydrophobicContact CG-CZ 4.14Å
84	T	89.1	Confident	89.5	Confident	84 Å²	84	46.8 Å²	46.8	52%	0.515	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-4.4	177.4	79.9	0	0	0	0	112.8	D82 T86	D82-T84 PolarHBondContact O-N 2.83Å; D82-T84 VanDerWaalsContact OD1-CA 3.26Å; D82-T84 WeakPolarHBondContact OD1-CA 3.38Å; D82-T84 WeakPolarHBondContact OD1-CB 3.26Å; D82-T84 PolarHBondContact OD1-N 3.43Å; D82-T84 PolarHBondContact OD1-OG1 2.91Å; D82-T84 PolarHBondContact OD2-OG1 3.16Å; T84-T86 PolarHBondContact OG1-OG1 3.48Å
85	G	90	Very high	89.2	Confident	2 Å²	2	47.8 Å²	47.8	2%	0.021	27%	0.265	C	S	.	.	S	Bend	trans	86.7	5	-178.3	0	0	0	0	0	113.7	D82 K109 Y110	D82-G85 PolarHBondContact O-N 2.95Å; D82-G85 PolarHBondContact OD1-N 3.28Å; G85-K109 CarbonylContact O-C 3.52Å; G85-K109 WeakPolarHBondContact O-CA 3.37Å; G85-Y110 PolarHBondContact O-N 2.88Å
86	T	91.8	Very high	88.8	Confident	36 Å²	36	52.5 Å²	52.5	22%	0.221	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-86.9	139.7	178.6	35.1	0	0	0	0	111.9	D82 T84 H88 K109	D82-T86 PolarHBondContact N-O 2.8Å; D82-T86 PolarHBondContact OD1-N 3.17Å; D82-T86 PolarHBondContact OD1-OG1 3.32Å; D82-T86 VanDerWaalsContact OD1-OG1 3.11Å; D82-T86 PolarHBondContact OD2-OG1 3.4Å; T84-T86 PolarHBondContact OG1-OG1 3.48Å; T86-H88 PolarHBondContact OG1-NE2 3.17Å; T86-K109 HydrophobicContact CG2-CG 4.27Å
87	Y	92.6	Very high	88.5	Confident	55 Å²	55	55 Å²	55	22%	0.216	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-79.2	124.1	177	176	-98.7	0	0	0	111	H79 G89 S91 Q94 L95	H79-Y87 VanDerWaalsContact O-CD2 3.26Å; H79-Y87 WeakPolarHBondContact O-CD2 3.43Å; H79-Y87 WeakPolarHBondContact O-CE2 3.45Å; Y87-G89 VanDerWaalsContact OH-C 3.29Å; Y87-G89 WeakPolarHBondContact OH-CA 3.38Å; Y87-G89 PolarHBondContact OH-O 3.3Å; Y87-S91 PolarHBondContact OH-N 2.96Å; Y87-S91 PolarHBondContact OH-O 3.3Å; Y87-Q94 HydrophobicContact CE2-CB 4.03Å; Y87-Q94 PolarHBondContact OH-OE1 3.1Å; Y87-L95 HydrophobicContact CD1-CD1 3.96Å; Y87-L95 HydrophobicContact CD1-CD2 4.46Å; Y87-L95 HydrophobicContact CD1-CG 4.49Å; Y87-L95 HydrophobicContact CD2-CD1 4.39Å; Y87-L95 HydrophobicContact CD2-CD2 3.56Å; Y87-L95 HydrophobicContact CD2-CG 4.05Å; Y87-L95 HydrophobicContact CE1-CD1 3.77Å; Y87-L95 HydrophobicContact CE1-CG 4.24Å; Y87-L95 HydrophobicContact CE2-CD1 4.21Å; Y87-L95 HydrophobicContact CE2-CD2 3.76Å; Y87-L95 HydrophobicContact CE2-CG 3.76Å; Y87-L95 HydrophobicContact CG-CD1 4.26Å; Y87-L95 HydrophobicContact CG-CD2 3.92Å; Y87-L95 HydrophobicContact CG-CG 4.39Å
88	H	89.8	Confident	88.4	Confident	133 Å²	133	53 Å²	53	62%	0.616	29%	0.289	S	S	*	.			trans	-128.6	27.2	174.5	-68.8	-68.6	0	0	0	111.1	G80 D82 T86	G80-H88 PolarHBondContact O-N 3.33Å; D82-H88 IonicContact OD2-CD2 3.21Å; D82-H88 PolarHBondContact OD2-CD2 3.28Å; D82-H88 IonicContact OD2-NE2 3.27Å; D82-H88 PolarHBondContact OD2-NE2 3.37Å; T86-H88 PolarHBondContact OG1-NE2 3.17Å
89	G	83.9	Confident	88.4	Confident	19 Å²	19	53.5 Å²	53.5	20%	0.196	29%	0.293	C	S	.	.			trans	-76.3	165.7	178.5	0	0	0	0	0	113.5	G80 Y87	G80-G89 PolarHBondContact O-N 2.82Å; Y87-G89 VanDerWaalsContact OH-C 3.29Å; Y87-G89 WeakPolarHBondContact OH-CA 3.38Å; Y87-G89 PolarHBondContact OH-O 3.3Å
90	D	84.1	Confident	88.4	Confident	169 Å²	169	53.7 Å²	53.7	90%	0.904	30%	0.295	S	S	*	.	S	Bend	trans	-106.9	-3	-175.1	-62	-43.7	0	0	0	112.9
91	S	83.7	Confident	88.6	Confident	44 Å²	44	53 Å²	53	31%	0.308	29%	0.287	S	S	.	.			trans	-138	124.3	-168.6	177.4	0	0	0	0	112.2	Y87 L93 Q94	Y87-S91 PolarHBondContact OH-N 2.96Å; Y87-S91 PolarHBondContact OH-O 3.3Å; S91-L93 PolarHBondContact O-N 3.22Å; S91-L93 VanDerWaalsContact O-N 3.16Å; S91-Q94 VanDerWaalsContact O-CB 3.25Å; S91-Q94 WeakPolarHBondContact O-CB 3.29Å; S91-Q94 PolarHBondContact O-N 3.38Å; S91-Q94 PolarHBondContact O-OE1 3.21Å
92	D	83.9	Confident	88.7	Confident	136 Å²	136	52.9 Å²	52.9	73%	0.727	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-57.2	-32.9	179.2	-60.6	-27.9	0	0	0	112.6	Q94 L95 D96	D92-Q94 PolarHBondContact O-N 3.36Å; D92-L95 PolarHBondContact O-N 3.02Å; D92-D96 PolarHBondContact O-N 3.36Å
93	L	84.8	Confident	88.7	Confident	70 Å²	70	52.3 Å²	52.3	37%	0.366	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-59.9	-18.7	176.8	-62.9	175.6	0	0	0	113.6	S91 L95 P294 I407	S91-L93 PolarHBondContact O-N 3.22Å; S91-L93 VanDerWaalsContact O-N 3.16Å; L93-L95 VanDerWaalsContact C-N 3.3Å; L93-P294 HydrophobicContact CD2-CG 3.93Å; L93-I407 HydrophobicContact CB-CD1 3.72Å; L93-I407 HydrophobicContact CD1-CD1 4.27Å
94	Q	86.3	Confident	88.6	Confident	28 Å²	28	56.5 Å²	56.5	13%	0.131	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-72.6	-25.5	174.8	-66.7	172.1	-45.1	0	0	112.1	E78 H79 Y87 S91 D92	E78-Q94 PolarHBondContact O-NE2 3.4Å; H79-Q94 PolarHBondContact ND1-O 3.12Å; Y87-Q94 HydrophobicContact CE2-CB 4.03Å; Y87-Q94 PolarHBondContact OH-OE1 3.1Å; S91-Q94 VanDerWaalsContact O-CB 3.25Å; S91-Q94 WeakPolarHBondContact O-CB 3.29Å; S91-Q94 PolarHBondContact O-N 3.38Å; S91-Q94 PolarHBondContact O-OE1 3.21Å; D92-Q94 PolarHBondContact O-N 3.36Å
95	L	87.3	Confident	88.5	Confident	51 Å²	51	54.2 Å²	54.2	27%	0.267	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-23.8	-178.7	-67.3	177.8	0	0	0	113.1	Y87 D92 L93 R97 I98 Y110	Y87-L95 HydrophobicContact CD1-CD1 3.96Å; Y87-L95 HydrophobicContact CD1-CD2 4.46Å; Y87-L95 HydrophobicContact CD1-CG 4.49Å; Y87-L95 HydrophobicContact CD2-CD1 4.39Å; Y87-L95 HydrophobicContact CD2-CD2 3.56Å; Y87-L95 HydrophobicContact CD2-CG 4.05Å; Y87-L95 HydrophobicContact CE1-CD1 3.77Å; Y87-L95 HydrophobicContact CE1-CG 4.24Å; Y87-L95 HydrophobicContact CE2-CD1 4.21Å; Y87-L95 HydrophobicContact CE2-CD2 3.76Å; Y87-L95 HydrophobicContact CE2-CG 3.76Å; Y87-L95 HydrophobicContact CG-CD1 4.26Å; Y87-L95 HydrophobicContact CG-CD2 3.92Å; Y87-L95 HydrophobicContact CG-CG 4.39Å; D92-L95 PolarHBondContact O-N 3.02Å; L93-L95 VanDerWaalsContact C-N 3.3Å; L95-R97 PolarHBondContact O-N 2.66Å; L95-I98 HydrophobicContact CD2-CG2 4.43Å; L95-I98 VanDerWaalsContact O-CG2 3.31Å; L95-I98 WeakPolarHBondContact O-CG2 2.92Å; L95-I98 PolarHBondContact O-N 2.87Å; L95-I98 VanDerWaalsContact O-N 3.16Å; L95-Y110 HydrophobicContact CD2-CE2 4.06Å
96	D	84.9	Confident	88.2	Confident	98 Å²	98	60.7 Å²	60.7	52%	0.524	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-37.2	-175.2	-82.2	-2.4	0	0	0	115	D92 P294	D92-D96 PolarHBondContact O-N 3.36Å; D96-P294 HydrophobicContact CB-CG 4.37Å
97	R	86.3	Confident	87.6	Confident	52 Å²	52	62.5 Å²	62.5	20%	0.196	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.9	29.9	179.9	-68.6	-169	179.9	177.1	1.8	112.9	L95 S99 V100 C290 L291 R292 N298	L95-R97 PolarHBondContact O-N 2.66Å; R97-S99 PolarHBondContact O-N 2.8Å; R97-V100 HydrophobicContact CB-CG2 4.11Å; R97-V100 WeakPolarHBondContact O-CB 3.45Å; R97-V100 VanDerWaalsContact O-CG2 3.29Å; R97-V100 WeakPolarHBondContact O-CG2 3.23Å; R97-V100 PolarHBondContact O-N 3.3Å; R97-C290 PolarHBondContact NH1-O 3.21Å; R97-L291 VanDerWaalsContact CD-O 3.27Å; R97-L291 WeakPolarHBondContact CD-O 3.22Å; R97-R292 WeakPolarHBondContact CB-O 3.48Å; R97-N298 PolarHBondContact NH2-OD1 2.94Å
98	I	89.8	Confident	87.2	Confident	12 Å²	12	61.6 Å²	61.6	6%	0.062	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-65.6	-29.8	-179.6	-162.1	65.5	0	0	0	112.7	H79 I81 L95 V100 Y101 Y102 Y110	H79-I98 HydrophobicContact CB-CD1 3.56Å; H79-I98 WeakPolarHBondContact ND1-CD1 3.49Å; I81-I98 HydrophobicContact CD1-CD1 3.7Å; I81-I98 HydrophobicContact CD1-CG1 4.18Å; L95-I98 HydrophobicContact CD2-CG2 4.43Å; L95-I98 VanDerWaalsContact O-CG2 3.31Å; L95-I98 WeakPolarHBondContact O-CG2 2.92Å; L95-I98 PolarHBondContact O-N 2.87Å; L95-I98 VanDerWaalsContact O-N 3.16Å; I98-V100 PolarHBondContact O-N 3.11Å; I98-V100 VanDerWaalsContact O-N 3.1Å; I98-Y101 PolarHBondContact O-N 3.2Å; I98-Y102 HydrophobicContact CD1-CD2 3.5Å; I98-Y102 VanDerWaalsContact CD1-CD2 3.5Å; I98-Y102 HydrophobicContact CD1-CE2 3.86Å; I98-Y102 HydrophobicContact CD1-CG 4.27Å; I98-Y102 HydrophobicContact CG1-CD2 3.87Å; I98-Y102 HydrophobicContact CG1-CG 4.24Å; I98-Y102 PolarHBondContact O-N 3.04Å; I98-Y110 HydrophobicContact CG1-CD1 3.95Å; I98-Y110 HydrophobicContact CG1-CE1 4.18Å; I98-Y110 HydrophobicContact CG1-CG 4.42Å; I98-Y110 HydrophobicContact CG2-CD1 4.15Å; I98-Y110 HydrophobicContact CG2-CE1 3.64Å
99	S	90	Very high	87.3	Confident	20 Å²	20	60 Å²	60	14%	0.14	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-60.4	-19	179	55.5	0	0	0	0	114.3	M52 R97 Y101 Y102 R113	M52-S99 PolarHBondContact SD-OG 3.07Å; R97-S99 PolarHBondContact O-N 2.8Å; S99-Y101 PolarHBondContact O-N 3.31Å; S99-Y102 WeakPolarHBondContact CA-O 3.47Å; S99-R113 PolarHBondContact O-NH1 2.89Å; S99-R113 PolarHBondContact O-NH2 3.42Å
100	V	91.2	Very high	87.8	Confident	6 Å²	6	60.1 Å²	60.1	4%	0.036	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-59.8	-47.6	178.2	177.8	0	0	0	0	110.4	R53 I55 R97 I98 R113 L291	R53-V100 WeakPolarHBondContact O-CG2 3.37Å; I55-V100 HydrophobicContact CB-CG1 4.5Å; I55-V100 HydrophobicContact CD1-CG1 3.75Å; I55-V100 HydrophobicContact CG1-CG1 4.07Å; I55-V100 PolarHBondContact N-O 3.45Å; R97-V100 HydrophobicContact CB-CG2 4.11Å; R97-V100 WeakPolarHBondContact O-CB 3.45Å; R97-V100 VanDerWaalsContact O-CG2 3.29Å; R97-V100 WeakPolarHBondContact O-CG2 3.23Å; R97-V100 PolarHBondContact O-N 3.3Å; I98-V100 PolarHBondContact O-N 3.11Å; I98-V100 VanDerWaalsContact O-N 3.1Å; V100-R113 PolarHBondContact O-NH1 3.29Å; V100-L291 HydrophobicContact CG1-CB 4.37Å
101	Y	94.2	Very high	88.2	Confident	3 Å²	3	53.3 Å²	53.3	1%	0.012	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-20.9	-176.4	-81.4	-80.8	0	0	0	114.2	I55 F71 W72 I75 I98 S99 R113 Q185 T288 R292	I55-Y101 HydrophobicContact CB-CE1 4.38Å; I55-Y101 HydrophobicContact CD1-CE2 4.18Å; I55-Y101 HydrophobicContact CG2-CE1 4.16Å; F71-Y101 HydrophobicContact CE1-CD1 4.35Å; F71-Y101 HydrophobicContact CE1-CE1 4.05Å; F71-Y101 HydrophobicContact CZ-CD1 4.48Å; F71-Y101 AromaticContact CZ-CE1 3.96Å; F71-Y101 HydrophobicContact CZ-CE1 3.96Å; W72-Y101 AromaticContact CH2-CD1 3.73Å; W72-Y101 HydrophobicContact CH2-CD1 3.73Å; W72-Y101 HydrophobicContact CH2-CG 4.23Å; W72-Y101 VanDerWaalsContact CH2-O 3.31Å; W72-Y101 WeakPolarHBondContact CH2-O 3.44Å; W72-Y101 HydrophobicContact CZ2-CD1 4.32Å; W72-Y101 HydrophobicContact CZ3-CD1 4.36Å; I75-Y101 HydrophobicContact CD1-CD1 4.41Å; I75-Y101 HydrophobicContact CD1-CG 4.24Å; I98-Y101 PolarHBondContact O-N 3.2Å; S99-Y101 PolarHBondContact O-N 3.31Å; Y101-R113 WeakPolarHBondContact O-CB 3.29Å; Y101-R113 PolarHBondContact O-N 2.95Å; Y101-Q185 VanDerWaalsContact CE1-OE1 3.29Å; Y101-Q185 PolarHBondContact OH-OE1 3.35Å; Y101-T288 WeakPolarHBondContact OH-CG2 3.48Å; Y101-R292 HydrophobicContact CD2-CG 3.56Å; Y101-R292 HydrophobicContact CE2-CG 3.61Å
102	Y	94.5	Very high	88.8	Confident	3 Å²	3	51.3 Å²	51.3	1%	0.012	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	140.7	-177.9	-62.3	-98.4	0	0	0	111.5	W72 I75 S76 I81 I98 S99 V111 P112 I135	W72-Y102 HydrophobicContact CE3-CE1 4.23Å; W72-Y102 AromaticContact CE3-CZ 3.93Å; W72-Y102 HydrophobicContact CZ3-CD2 4.49Å; W72-Y102 HydrophobicContact CZ3-CE1 4.06Å; W72-Y102 HydrophobicContact CZ3-CE2 4.02Å; W72-Y102 AromaticContact CZ3-CZ 3.78Å; I75-Y102 HydrophobicContact CD1-CE2 4.27Å; S76-Y102 WeakPolarHBondContact CA-OH 3.43Å; S76-Y102 WeakPolarHBondContact CB-OH 3.23Å; S76-Y102 PolarHBondContact N-OH 2.78Å; S76-Y102 PolarHBondContact OG-OH 2.78Å; I81-Y102 HydrophobicContact CD1-CD1 3.78Å; I81-Y102 HydrophobicContact CD1-CD2 4.06Å; I81-Y102 HydrophobicContact CD1-CE1 3.6Å; I81-Y102 HydrophobicContact CD1-CE2 3.91Å; I81-Y102 HydrophobicContact CD1-CG 4.01Å; I98-Y102 HydrophobicContact CD1-CD2 3.5Å; I98-Y102 VanDerWaalsContact CD1-CD2 3.5Å; I98-Y102 HydrophobicContact CD1-CE2 3.86Å; I98-Y102 HydrophobicContact CD1-CG 4.27Å; I98-Y102 HydrophobicContact CG1-CD2 3.87Å; I98-Y102 HydrophobicContact CG1-CG 4.24Å; I98-Y102 PolarHBondContact O-N 3.04Å; S99-Y102 WeakPolarHBondContact CA-O 3.47Å; Y102-V111 CarbonylContact C-O 3.58Å; Y102-V111 WeakPolarHBondContact CA-O 3.43Å; Y102-P112 HydrophobicContact CD1-CG 4.1Å; Y102-P112 HydrophobicContact CE1-CG 3.8Å; Y102-I135 HydrophobicContact CE1-CD1 4.36Å
103	N	92.2	Very high	89.3	Confident	22 Å²	22	45 Å²	45	12%	0.118	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	131.5	164.6	-68.1	-36.9	0	0	0	108.9	A105 V111 R113 E174	N103-A105 PolarHBondContact O-N 2.93Å; N103-V111 PolarHBondContact N-O 2.95Å; N103-V111 PolarHBondContact O-N 3.23Å; N103-R113 PolarHBondContact OD1-NE 3.37Å; N103-R113 VanDerWaalsContact OD1-NE 3.17Å; N103-R113 PolarHBondContact OD1-NH2 3.05Å; N103-E174 PolarHBondContact ND2-OE2 3.24Å
104	E	89.8	Confident	89.9	Confident	143 Å²	143	41.8 Å²	41.8	67%	0.668	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	111.3	173	-170.5	178.1	172.9	0	0	109.7	Y110	E104-Y110 HydrophobicContact CB-CD1 4.41Å; E104-Y110 HydrophobicContact CB-CE1 4.15Å; E104-Y110 HydrophobicContact CG-CE1 4.02Å
105	A	87.1	Confident	90.4	Very high	36 Å²	36	40.4 Å²	40.4	30%	0.298	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	166.2	174.9	0	0	0	0	0	111.4	N103 G107 G108 K109 V111	N103-A105 PolarHBondContact O-N 2.93Å; A105-G107 PolarHBondContact O-N 3.47Å; A105-G108 PolarHBondContact O-N 2.78Å; A105-K109 WeakPolarHBondContact CA-O 3.42Å; A105-K109 HydrophobicContact CB-CB 4.32Å; A105-K109 WeakPolarHBondContact CB-O 3.45Å; A105-K109 PolarHBondContact N-O 2.7Å; A105-V111 HydrophobicContact CB-CG2 4.2Å
106	T	83.8	Confident	90.8	Very high	138 Å²	138	38 Å²	38	85%	0.847	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	134.7	177.8	50.6	0	0	0	0	112
107	G	80.6	Confident	91.3	Very high	75 Å²	75	33.3 Å²	33.3	77%	0.773	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.5	23	178.4	0	0	0	0	0	114.5	A105 K109	A105-G107 PolarHBondContact O-N 3.47Å; G107-K109 VanDerWaalsContact C-N 3.3Å; G107-K109 PolarHBondContact O-N 3.23Å
108	G	83.6	Confident	91.8	Very high	35 Å²	35	31 Å²	31	36%	0.361	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	30.6	177.2	0	0	0	0	0	112.9	A105	A105-G108 PolarHBondContact O-N 2.78Å
109	K	91.4	Very high	91.9	Very high	99 Å²	99	30.5 Å²	30.5	43%	0.43	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	127.1	178.4	-72.8	-169.8	174	-165.2	0	110.1	G85 T86 A105 G107	G85-K109 CarbonylContact O-C 3.52Å; G85-K109 WeakPolarHBondContact O-CA 3.37Å; T86-K109 HydrophobicContact CG2-CG 4.27Å; A105-K109 WeakPolarHBondContact CA-O 3.42Å; A105-K109 HydrophobicContact CB-CB 4.32Å; A105-K109 WeakPolarHBondContact CB-O 3.45Å; A105-K109 PolarHBondContact N-O 2.7Å; G107-K109 VanDerWaalsContact C-N 3.3Å; G107-K109 PolarHBondContact O-N 3.23Å
110	Y	93.8	Very high	91.8	Very high	23 Å²	23	33.3 Å²	33.3	9%	0.09	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	122.6	176.8	-64	-77.7	0	0	0	109.7	I81 G85 L95 I98 E104	I81-Y110 HydrophobicContact CD1-CD2 4.26Å; I81-Y110 HydrophobicContact CD1-CG 4.03Å; I81-Y110 HydrophobicContact CG1-CD2 4.35Å; G85-Y110 PolarHBondContact O-N 2.88Å; L95-Y110 HydrophobicContact CD2-CE2 4.06Å; I98-Y110 HydrophobicContact CG1-CD1 3.95Å; I98-Y110 HydrophobicContact CG1-CE1 4.18Å; I98-Y110 HydrophobicContact CG1-CG 4.42Å; I98-Y110 HydrophobicContact CG2-CD1 4.15Å; I98-Y110 HydrophobicContact CG2-CE1 3.64Å; E104-Y110 HydrophobicContact CB-CD1 4.41Å; E104-Y110 HydrophobicContact CB-CE1 4.15Å; E104-Y110 HydrophobicContact CG-CE1 4.02Å
111	V	94	Very high	91.6	Very high	26 Å²	26	35.4 Å²	35.4	16%	0.158	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	125.9	-179.7	178.7	0	0	0	0	108.6	Y102 N103 A105 R113 R137	Y102-V111 CarbonylContact C-O 3.58Å; Y102-V111 WeakPolarHBondContact CA-O 3.43Å; N103-V111 PolarHBondContact N-O 2.95Å; N103-V111 PolarHBondContact O-N 3.23Å; A105-V111 HydrophobicContact CB-CG2 4.2Å; V111-R113 PolarHBondContact O-N 3.26Å; V111-R137 HydrophobicContact CG1-CB 4.14Å
112	P	95.4	Very high	91.3	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.006	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.9	134.5	175.4	-33.2	40.3	0	0	0	113.4	W72 Y102 A114 I135 F136	W72-P112 HydrophobicContact CD2-CB 3.88Å; W72-P112 HydrophobicContact CD2-CG 4.16Å; W72-P112 HydrophobicContact CE3-CB 3.65Å; W72-P112 HydrophobicContact CE3-CG 3.75Å; W72-P112 HydrophobicContact CH2-CB 3.65Å; W72-P112 HydrophobicContact CZ2-CB 3.85Å; W72-P112 HydrophobicContact CZ3-CB 3.54Å; W72-P112 HydrophobicContact CZ3-CG 3.97Å; Y102-P112 HydrophobicContact CD1-CG 4.1Å; Y102-P112 HydrophobicContact CE1-CG 3.8Å; P112-A114 HydrophobicContact CB-CB 4.06Å; P112-A114 PolarHBondContact O-N 3.48Å; P112-I135 HydrophobicContact CG-CD1 4.23Å; P112-I135 HydrophobicContact CG-CG1 4.4Å; P112-I135 HydrophobicContact CG-CG2 3.72Å; P112-F136 HydrophobicContact CB-CD1 4.08Å; P112-F136 HydrophobicContact CB-CE1 4.04Å; P112-F136 HydrophobicContact CG-CD1 4.26Å; P112-F136 HydrophobicContact CG-CE1 4.2Å
113	R	95.3	Very high	90.9	Very high	5 Å²	5	37.6 Å²	37.6	2%	0.019	24%	0.237	C	C	.	.			trans	-79	65.6	166.1	-165.1	177.5	-56.6	114	-4.4	109.7	E54 I55 V56 H57 S99 V100 Y101 N103 V111 E174 C178	E54-R113 VanDerWaalsContact CG-NH1 3.33Å; I55-R113 WeakPolarHBondContact O-CD 2.9Å; I55-R113 PolarHBondContact O-NH1 2.64Å; V56-R113 VanDerWaalsContact CG2-CD 3.49Å; V56-R113 HydrophobicContact CG2-CG 4.09Å; H57-R113 PolarHBondContact N-O 3.28Å; S99-R113 PolarHBondContact O-NH1 2.89Å; S99-R113 PolarHBondContact O-NH2 3.42Å; V100-R113 PolarHBondContact O-NH1 3.29Å; Y101-R113 WeakPolarHBondContact O-CB 3.29Å; Y101-R113 PolarHBondContact O-N 2.95Å; N103-R113 PolarHBondContact OD1-NE 3.37Å; N103-R113 VanDerWaalsContact OD1-NE 3.17Å; N103-R113 PolarHBondContact OD1-NH2 3.05Å; V111-R113 PolarHBondContact O-N 3.26Å; R113-E174 HydrophobicContact CG-CB 4.24Å; R113-E174 HydrophobicContact CG-CG 4.49Å; R113-C178 PolarHBondContact NE-SG 3.45Å; R113-C178 VanDerWaalsContact NE-SG 3.4Å
114	A	96.1	Very high	90.6	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.008	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	142.1	-177	0	0	0	0	0	111.2	H57 W72 P112 L116 F136 N140	H57-A114 CarbonylContact O-C 3.57Å; H57-A114 VanDerWaalsContact O-CA 3.3Å; H57-A114 WeakPolarHBondContact O-CA 3.36Å; W72-A114 HydrophobicContact CZ2-CB 3.69Å; P112-A114 HydrophobicContact CB-CB 4.06Å; P112-A114 PolarHBondContact O-N 3.48Å; A114-L116 HydrophobicContact CB-CD1 4.35Å; A114-F136 HydrophobicContact CB-CD1 3.91Å; A114-F136 HydrophobicContact CB-CE1 3.79Å; A114-N140 VanDerWaalsContact O-CB 3.28Å; A114-N140 WeakPolarHBondContact O-CB 3.39Å; A114-N140 PolarHBondContact O-ND2 2.98Å
115	I	96.9	Very high	90.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	122	173.6	-55.2	173.3	0	0	0	107.1	V56 H57 I58 Q59 V117 V167 V170 V171 E174	V56-I115 HydrophobicContact CG1-CD1 3.87Å; H57-I115 PolarHBondContact O-N 3.39Å; I58-I115 WeakPolarHBondContact CA-O 3.33Å; I58-I115 HydrophobicContact CG1-CB 4.49Å; I58-I115 HydrophobicContact CG1-CD1 4.49Å; Q59-I115 PolarHBondContact N-O 3.36Å; I115-V117 HydrophobicContact CG2-CG2 3.98Å; I115-V167 HydrophobicContact CG2-CG1 4.22Å; I115-V170 HydrophobicContact CD1-CG1 3.98Å; I115-V170 HydrophobicContact CG1-CG1 3.93Å; I115-V170 HydrophobicContact CG2-CG1 4.15Å; I115-V171 HydrophobicContact CD1-CB 4.09Å; I115-V171 HydrophobicContact CD1-CG2 3.46Å; I115-V171 VanDerWaalsContact CD1-CG2 3.46Å; I115-E174 HydrophobicContact CD1-CG 4.41Å
116	L	96.6	Very high	90.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	120.9	-176.1	-64.9	91.4	0	0	0	108.6	A114 M124 V127 F136 N140 F141 V142	A114-L116 HydrophobicContact CB-CD1 4.35Å; L116-M124 HydrophobicContact CB-CE 4.38Å; L116-M124 HydrophobicContact CB-SD 4.09Å; L116-V127 HydrophobicContact CD2-CB 4.38Å; L116-V127 HydrophobicContact CD2-CG1 3.65Å; L116-V127 HydrophobicContact CD2-CG2 4.45Å; L116-F136 HydrophobicContact CD1-CB 4.35Å; L116-F136 HydrophobicContact CD1-CD1 3.86Å; L116-F136 HydrophobicContact CD1-CE1 4.36Å; L116-F136 HydrophobicContact CD1-CG 4.09Å; L116-N140 PolarHBondContact N-O 2.98Å; L116-F141 HydrophobicContact CB-CD1 4.28Å; L116-F141 HydrophobicContact CD1-CE1 4.42Å; L116-F141 HydrophobicContact CD1-CZ 4.35Å; L116-F141 HydrophobicContact CD2-CD1 4.48Å; L116-F141 HydrophobicContact CD2-CE1 3.91Å; L116-F141 HydrophobicContact CD2-CZ 4.35Å; L116-V142 PolarHBondContact O-N 3.43Å
117	V	95.8	Very high	90.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	126.8	-173.1	-171.3	0	0	0	0	109.6	I58 Q59 A60 G61 N65 I115 V142 V167 M198 L202	I58-V117 HydrophobicContact CG2-CG2 4.38Å; Q59-V117 WeakPolarHBondContact O-CA 3.46Å; Q59-V117 WeakPolarHBondContact O-CB 3.25Å; Q59-V117 PolarHBondContact O-N 2.87Å; A60-V117 WeakPolarHBondContact CA-O 3.09Å; G61-V117 PolarHBondContact N-O 3.29Å; N65-V117 PolarHBondContact ND2-O 3.05Å; I115-V117 HydrophobicContact CG2-CG2 3.98Å; V117-V142 WeakPolarHBondContact CA-O 3.31Å; V117-V167 HydrophobicContact CB-CG2 4.44Å; V117-V167 HydrophobicContact CG1-CG2 3.72Å; V117-V167 HydrophobicContact CG2-CB 4.43Å; V117-V167 HydrophobicContact CG2-CG1 3.67Å; V117-V167 HydrophobicContact CG2-CG2 3.81Å; V117-M198 HydrophobicContact CG1-CE 3.51Å; V117-M198 HydrophobicContact CG1-SD 3.7Å; V117-L202 HydrophobicContact CG1-CD1 4.48Å
118	D	95.3	Very high	91.3	Very high	3 Å²	3	32 Å²	32	2%	0.016	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	145.2	166.3	-154.9	-19.8	0	0	0	110.7	Q62 E120 T123 M124 V142 F143 G144	Q62-D118 PolarHBondContact N-OD2 3.45Å; D118-E120 PolarHBondContact O-N 3Å; D118-E120 PolarHBondContact OD1-N 2.96Å; D118-T123 WeakPolarHBondContact OD2-CB 3.46Å; D118-T123 WeakPolarHBondContact OD2-CG2 3.22Å; D118-T123 PolarHBondContact OD2-OG1 3.33Å; D118-M124 HydrophobicContact CB-CE 3.3Å; D118-V142 PolarHBondContact N-O 3.15Å; D118-F143 CarbonylContact O-C 3.2Å; D118-F143 WeakPolarHBondContact O-CA 3.37Å; D118-F143 WeakPolarHBondContact O-CB 3.31Å; D118-G144 PolarHBondContact O-N 2.67Å
119	L	92.3	Very high	91.6	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.01	20%	0.2	C	C	.	.	S	Bend	trans	-76.5	-17	173.6	-69.3	170.4	0	0	0	111	G144 S146 A148 E159 L163 T194 M198	L119-G144 CarbonylContact O-C 3.44Å; L119-G144 WeakPolarHBondContact O-CA 3.33Å; L119-S146 WeakPolarHBondContact CB-O 3.46Å; L119-S146 CarbonylContact O-C 3.58Å; L119-S146 PolarHBondContact O-N 3.38Å; L119-A148 HydrophobicContact CD1-CB 3.95Å; L119-E159 HydrophobicContact CD1-CB 4.24Å; L119-E159 HydrophobicContact CD2-CB 4.24Å; L119-L163 HydrophobicContact CD2-CB 4.14Å; L119-L163 HydrophobicContact CD2-CD2 3.69Å; L119-T194 HydrophobicContact CB-CG2 4.07Å; L119-T194 HydrophobicContact CD1-CG2 3.9Å; L119-T194 HydrophobicContact CG-CG2 3.75Å; L119-M198 HydrophobicContact CD1-SD 4.36Å; L119-M198 HydrophobicContact CD2-SD 4.04Å; L119-M198 HydrophobicContact CG-SD 3.99Å
120	E	87.5	Confident	91.5	Very high	79 Å²	79	31.7 Å²	31.7	37%	0.369	19%	0.193	S	C	.	.	S	Bend	trans	-102.3	130.6	175.4	-65	-175.4	176.8	0	0	112.7	D118 G122 G147	D118-E120 PolarHBondContact O-N 3Å; D118-E120 PolarHBondContact OD1-N 2.96Å; E120-G122 VanDerWaalsContact C-N 3.34Å; E120-G122 PolarHBondContact O-N 3.01Å; E120-G147 VanDerWaalsContact CG-CA 3.46Å
121	P	87.1	Confident	91.3	Very high	49 Å²	49	34.9 Å²	34.9	32%	0.318	22%	0.216	S	C	.	.	H	α-helix	trans	-70.8	-27.5	-179.5	26.8	-33.7	0	0	0	113.2	T123 M124 F143	P121-T123 VanDerWaalsContact C-N 3.27Å; P121-T123 PolarHBondContact O-N 3.23Å; P121-M124 WeakPolarHBondContact O-CB 3.4Å; P121-M124 PolarHBondContact O-N 2.71Å; P121-M124 VanDerWaalsContact O-N 3.07Å; P121-F143 HydrophobicContact CB-CD2 4.08Å; P121-F143 HydrophobicContact CB-CE2 4.47Å
122	G	87.9	Confident	91.2	Very high	41 Å²	41	34.6 Å²	34.6	42%	0.423	21%	0.213	S	C	.	.	H	α-helix	trans	-63.9	-28.2	-173.6	0	0	0	0	0	114.5	E120 M124 S126	E120-G122 VanDerWaalsContact C-N 3.34Å; E120-G122 PolarHBondContact O-N 3.01Å; G122-M124 VanDerWaalsContact C-N 3.29Å; G122-M124 PolarHBondContact O-N 2.91Å; G122-S126 PolarHBondContact O-N 3.09Å; G122-S126 PolarHBondContact O-OG 2.89Å; G122-S126 VanDerWaalsContact O-OG 3.13Å
123	T	86.5	Confident	90.9	Very high	11 Å²	11	34.7 Å²	34.7	7%	0.067	21%	0.214	C	C	.	.	H	α-helix	trans	-64.4	-37	175.5	-56.1	0	0	0	0	111.1	N65 D118 P121 S126 V127	N65-T123 HydrophobicContact CB-CG2 3.6Å; D118-T123 WeakPolarHBondContact OD2-CB 3.46Å; D118-T123 WeakPolarHBondContact OD2-CG2 3.22Å; D118-T123 PolarHBondContact OD2-OG1 3.33Å; P121-T123 VanDerWaalsContact C-N 3.27Å; P121-T123 PolarHBondContact O-N 3.23Å; T123-S126 WeakPolarHBondContact O-CB 3.1Å; T123-S126 PolarHBondContact O-N 3.24Å; T123-V127 WeakPolarHBondContact O-CG2 3.4Å; T123-V127 PolarHBondContact O-N 3.19Å
124	M	86.8	Confident	90.6	Very high	4 Å²	4	41 Å²	41	2%	0.02	24%	0.243	C	C	.	.	H	α-helix	trans	-69.3	-38.7	-176.5	-60.5	-57.9	140.5	0	0	112.2	L116 D118 P121 G122 S126 V127 R128 F141 F143	L116-M124 HydrophobicContact CB-CE 4.38Å; L116-M124 HydrophobicContact CB-SD 4.09Å; D118-M124 HydrophobicContact CB-CE 3.3Å; P121-M124 WeakPolarHBondContact O-CB 3.4Å; P121-M124 PolarHBondContact O-N 2.71Å; P121-M124 VanDerWaalsContact O-N 3.07Å; G122-M124 VanDerWaalsContact C-N 3.29Å; G122-M124 PolarHBondContact O-N 2.91Å; M124-S126 VanDerWaalsContact C-N 3.28Å; M124-S126 PolarHBondContact O-N 3.39Å; M124-V127 PolarHBondContact O-N 3.39Å; M124-R128 WeakPolarHBondContact O-CB 3.39Å; M124-R128 PolarHBondContact O-N 3.32Å; M124-F141 HydrophobicContact CB-CD1 4.32Å; M124-F141 HydrophobicContact CG-CD1 4.36Å; M124-F141 HydrophobicContact SD-CD1 3.6Å; M124-F141 HydrophobicContact SD-CE1 4.21Å; M124-F143 HydrophobicContact CG-CB 3.96Å; M124-F143 HydrophobicContact CG-CD1 4.05Å; M124-F143 HydrophobicContact CG-CG 4.14Å
125	D	87.6	Confident	90.5	Very high	112 Å²	112	41.3 Å²	41.3	60%	0.599	25%	0.245	S	C	*	.	H	α-helix	trans	-62.7	-40	174.3	-71.2	-28	0	0	0	111.2	R128 S129	D125-R128 PolarHBondContact O-N 2.91Å; D125-S129 VanDerWaalsContact O-CB 3.31Å; D125-S129 WeakPolarHBondContact O-CB 3.26Å; D125-S129 PolarHBondContact O-N 2.73Å; D125-S129 PolarHBondContact O-OG 3.21Å
126	S	88.9	Confident	90.3	Very high	78 Å²	78	41.8 Å²	41.8	55%	0.545	25%	0.247	S	C	.	.	H	α-helix	trans	-62.8	-46.7	176.8	-59.4	0	0	0	0	111.4	G122 T123 M124 S129 G130	G122-S126 PolarHBondContact O-N 3.09Å; G122-S126 PolarHBondContact O-OG 2.89Å; G122-S126 VanDerWaalsContact O-OG 3.13Å; T123-S126 WeakPolarHBondContact O-CB 3.1Å; T123-S126 PolarHBondContact O-N 3.24Å; M124-S126 VanDerWaalsContact C-N 3.28Å; M124-S126 PolarHBondContact O-N 3.39Å; S126-S129 PolarHBondContact O-N 3.37Å; S126-S129 PolarHBondContact O-OG 3.34Å; S126-G130 PolarHBondContact O-N 3.34Å
127	V	90.1	Very high	90.1	Very high	12 Å²	12	45.2 Å²	45.2	7%	0.073	26%	0.26	C	S	.	.	H	α-helix	trans	-64.8	-43.8	177.3	177.8	0	0	0	0	111.5	N65 A69 L116 T123 M124 S129 G130 G133 F136	N65-V127 HydrophobicContact CB-CG2 4.07Å; A69-V127 HydrophobicContact CB-CG1 4.36Å; L116-V127 HydrophobicContact CD2-CB 4.38Å; L116-V127 HydrophobicContact CD2-CG1 3.65Å; L116-V127 HydrophobicContact CD2-CG2 4.45Å; T123-V127 WeakPolarHBondContact O-CG2 3.4Å; T123-V127 PolarHBondContact O-N 3.19Å; M124-V127 PolarHBondContact O-N 3.39Å; V127-S129 VanDerWaalsContact C-N 3.3Å; V127-S129 PolarHBondContact O-N 2.77Å; V127-G130 PolarHBondContact O-N 3.29Å; V127-G133 WeakPolarHBondContact O-CA 3.39Å; V127-F136 HydrophobicContact CG1-CD2 4.33Å; V127-F136 HydrophobicContact CG1-CE2 4.08Å
128	R	88.8	Confident	89.9	Confident	91 Å²	91	49.2 Å²	49.2	34%	0.343	29%	0.286	S	S	.	.	H	α-helix	trans	-64.8	-34	179.9	-169.9	-175.2	-60.6	-101.2	-1.1	112.7	M124 D125 Q134	M124-R128 WeakPolarHBondContact O-CB 3.39Å; M124-R128 PolarHBondContact O-N 3.32Å; D125-R128 PolarHBondContact O-N 2.91Å; R128-Q134 PolarHBondContact O-NE2 3.24Å
129	S	89.8	Confident	89.7	Confident	102 Å²	102	54 Å²	54	71%	0.713	31%	0.311	S	S	*	.	H	α-helix	trans	-75.9	-12.6	174.4	74.5	0	0	0	0	113.6	D125 S126 V127	D125-S129 VanDerWaalsContact O-CB 3.31Å; D125-S129 WeakPolarHBondContact O-CB 3.26Å; D125-S129 PolarHBondContact O-N 2.73Å; D125-S129 PolarHBondContact O-OG 3.21Å; S126-S129 PolarHBondContact O-N 3.37Å; S126-S129 PolarHBondContact O-OG 3.34Å; V127-S129 VanDerWaalsContact C-N 3.3Å; V127-S129 PolarHBondContact O-N 2.77Å
130	G	88.9	Confident	89.8	Confident	26 Å²	26	53.9 Å²	53.9	27%	0.268	31%	0.311	S	S	.	.	S	Bend	trans	-68	166.2	178.1	0	0	0	0	0	113.4	S126 V127 F132 G133	S126-G130 PolarHBondContact O-N 3.34Å; V127-G130 PolarHBondContact O-N 3.29Å; G130-F132 VanDerWaalsContact C-N 3.29Å; G130-F132 PolarHBondContact O-N 3.4Å; G130-G133 PolarHBondContact O-N 3.44Å
131	P	89.6	Confident	90.1	Very high	89 Å²	89	51 Å²	51	58%	0.578	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-38.7	-173.4	-24	33	0	0	0	114	P83	P83-P131 WeakPolarHBondContact CB-O 3.44Å
132	F	91.3	Very high	90.5	Very high	20 Å²	20	49.3 Å²	49.3	9%	0.088	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	14.4	177.8	-76.3	-96	0	0	0	112.6	E73 S76 I81 P83 G130 Q134 I135	E73-F132 HydrophobicContact CB-CD2 3.93Å; E73-F132 HydrophobicContact CB-CE2 4.3Å; E73-F132 HydrophobicContact CG-CD2 3.8Å; E73-F132 HydrophobicContact CG-CE2 3.81Å; S76-F132 VanDerWaalsContact CB-CE1 3.49Å; I81-F132 WeakPolarHBondContact O-CE1 3.35Å; P83-F132 HydrophobicContact CB-CD1 4.39Å; P83-F132 HydrophobicContact CG-CD1 4.28Å; P83-F132 HydrophobicContact CG-CE1 4.07Å; P83-F132 HydrophobicContact CG-CE2 4.41Å; P83-F132 HydrophobicContact CG-CZ 4.14Å; G130-F132 VanDerWaalsContact C-N 3.29Å; G130-F132 PolarHBondContact O-N 3.4Å; F132-Q134 PolarHBondContact O-N 2.78Å; F132-Q134 VanDerWaalsContact O-N 3.12Å; F132-I135 HydrophobicContact CB-CG2 4.34Å; F132-I135 WeakPolarHBondContact O-CG2 3.4Å; F132-I135 PolarHBondContact O-N 3.41Å
133	G	88.9	Confident	90.7	Very high	3 Å²	3	51.5 Å²	51.5	3%	0.031	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-25	-175.3	0	0	0	0	0	114.7	V127 G130	V127-G133 WeakPolarHBondContact O-CA 3.39Å; G130-G133 PolarHBondContact O-N 3.44Å
134	Q	90	Very high	90.9	Very high	137 Å²	137	51.5 Å²	51.5	64%	0.64	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-11.4	-177.5	-56.4	-57.8	-43.9	0	0	114	R128 F132 F136	R128-Q134 PolarHBondContact O-NE2 3.24Å; F132-Q134 PolarHBondContact O-N 2.78Å; F132-Q134 VanDerWaalsContact O-N 3.12Å; Q134-F136 VanDerWaalsContact C-N 3.34Å
135	I	93.3	Very high	90.9	Very high	9 Å²	9	59 Å²	59	5%	0.046	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-24.8	-179.6	-155	-177.9	0	0	0	111.8	I81 Y102 P112 F132	I81-I135 HydrophobicContact CG2-CD1 3.71Å; Y102-I135 HydrophobicContact CE1-CD1 4.36Å; P112-I135 HydrophobicContact CG-CD1 4.23Å; P112-I135 HydrophobicContact CG-CG1 4.4Å; P112-I135 HydrophobicContact CG-CG2 3.72Å; F132-I135 HydrophobicContact CB-CG2 4.34Å; F132-I135 WeakPolarHBondContact O-CG2 3.4Å; F132-I135 PolarHBondContact O-N 3.41Å
136	F	93.8	Very high	90.8	Very high	9 Å²	9	55.8 Å²	55.8	4%	0.039	31%	0.308	C	S	.	.	S	Bend	trans	-70.9	141.8	-178.2	-64.7	-69.6	0	0	0	111.3	W72 P112 A114 L116 V127 Q134 P138 F141	W72-F136 HydrophobicContact CB-CE1 4.38Å; W72-F136 HydrophobicContact CB-CZ 3.91Å; W72-F136 AromaticContact CD1-CE1 3.47Å; W72-F136 VanDerWaalsContact CD1-CE1 3.47Å; W72-F136 AromaticContact CD1-CZ 3.5Å; W72-F136 HydrophobicContact CD2-CE1 4.28Å; W72-F136 AromaticContact CG-CE1 3.81Å; W72-F136 HydrophobicContact CG-CE1 3.81Å; W72-F136 AromaticContact CG-CZ 3.78Å; W72-F136 HydrophobicContact CG-CZ 3.78Å; W72-F136 AromaticContact NE1-CE1 3.78Å; P112-F136 HydrophobicContact CB-CD1 4.08Å; P112-F136 HydrophobicContact CB-CE1 4.04Å; P112-F136 HydrophobicContact CG-CD1 4.26Å; P112-F136 HydrophobicContact CG-CE1 4.2Å; A114-F136 HydrophobicContact CB-CD1 3.91Å; A114-F136 HydrophobicContact CB-CE1 3.79Å; L116-F136 HydrophobicContact CD1-CB 4.35Å; L116-F136 HydrophobicContact CD1-CD1 3.86Å; L116-F136 HydrophobicContact CD1-CE1 4.36Å; L116-F136 HydrophobicContact CD1-CG 4.09Å; V127-F136 HydrophobicContact CG1-CD2 4.33Å; V127-F136 HydrophobicContact CG1-CE2 4.08Å; Q134-F136 VanDerWaalsContact C-N 3.34Å; F136-P138 WeakPolarHBondContact O-CD 3.13Å; F136-F141 HydrophobicContact CB-CE2 3.58Å; F136-F141 HydrophobicContact CB-CZ 3.68Å; F136-F141 HydrophobicContact CD2-CZ 4.41Å; F136-F141 HydrophobicContact CG-CZ 4.32Å
137	R	92	Very high	90.6	Very high	72 Å²	72	53.2 Å²	53.2	27%	0.272	29%	0.293	S	S	.	.			trans	-65.4	123.3	175.1	-175.5	176.1	-75.2	168.2	-5.2	109.3	V111 D139 N140 F141 E174	V111-R137 HydrophobicContact CG1-CB 4.14Å; R137-D139 HydrophobicContact CG-CB 4.07Å; R137-D139 PolarHBondContact O-N 3.24Å; R137-N140 HydrophobicContact CB-CB 4.31Å; R137-N140 WeakPolarHBondContact CD-OD1 3.22Å; R137-N140 PolarHBondContact O-N 2.72Å; R137-F141 VanDerWaalsContact O-CD2 3.32Å; R137-F141 WeakPolarHBondContact O-CD2 3.48Å; R137-E174 IonicContact CZ-OE1 2.67Å; R137-E174 IonicContact NH1-OE1 2.85Å; R137-E174 PolarHBondContact NH1-OE1 2.98Å; R137-E174 IonicContact NH1-OE2 3.85Å
138	P	91.1	Very high	90.5	Very high	84 Å²	84	52.7 Å²	52.7	55%	0.545	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-57.4	-32.7	179.7	-28.1	36.6	0	0	0	114	F136 N140 F141	F136-P138 WeakPolarHBondContact O-CD 3.13Å; P138-N140 PolarHBondContact O-N 3.03Å; P138-F141 WeakPolarHBondContact O-CD2 3.48Å; P138-F141 PolarHBondContact O-N 3.23Å
139	D	91.9	Very high	90.4	Very high	103 Å²	103	50.9 Å²	50.9	55%	0.551	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-65.5	-19.6	177.2	-58.7	-4.3	0	0	0	113.3	R137 F141 K173	R137-D139 HydrophobicContact CG-CB 4.07Å; R137-D139 PolarHBondContact O-N 3.24Å; D139-F141 VanDerWaalsContact C-N 3.33Å; D139-K173 IonicContact OD2-NZ 2.87Å; D139-K173 PolarHBondContact OD2-NZ 2.81Å
140	N	94.1	Very high	90.5	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-93.7	6.7	-175.7	-64.1	13.2	0	0	0	112.7	A114 L116 R137 P138 V170 E174	A114-N140 VanDerWaalsContact O-CB 3.28Å; A114-N140 WeakPolarHBondContact O-CB 3.39Å; A114-N140 PolarHBondContact O-ND2 2.98Å; L116-N140 PolarHBondContact N-O 2.98Å; R137-N140 HydrophobicContact CB-CB 4.31Å; R137-N140 WeakPolarHBondContact CD-OD1 3.22Å; R137-N140 PolarHBondContact O-N 2.72Å; P138-N140 PolarHBondContact O-N 3.03Å; N140-V170 HydrophobicContact CB-CG1 4.24Å; N140-E174 PolarHBondContact ND2-OE1 2.91Å; N140-E174 PolarHBondContact OD1-OE1 3.44Å
141	F	94.3	Very high	90.7	Very high	18 Å²	18	48.2 Å²	48.2	8%	0.079	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	106.9	171.1	-71.2	-99.9	0	0	0	108.8	L116 M124 F136 R137 P138 D139 F143	L116-F141 HydrophobicContact CB-CD1 4.28Å; L116-F141 HydrophobicContact CD1-CE1 4.42Å; L116-F141 HydrophobicContact CD1-CZ 4.35Å; L116-F141 HydrophobicContact CD2-CD1 4.48Å; L116-F141 HydrophobicContact CD2-CE1 3.91Å; L116-F141 HydrophobicContact CD2-CZ 4.35Å; M124-F141 HydrophobicContact CB-CD1 4.32Å; M124-F141 HydrophobicContact CG-CD1 4.36Å; M124-F141 HydrophobicContact SD-CD1 3.6Å; M124-F141 HydrophobicContact SD-CE1 4.21Å; F136-F141 HydrophobicContact CB-CE2 3.58Å; F136-F141 HydrophobicContact CB-CZ 3.68Å; F136-F141 HydrophobicContact CD2-CZ 4.41Å; F136-F141 HydrophobicContact CG-CZ 4.32Å; R137-F141 VanDerWaalsContact O-CD2 3.32Å; R137-F141 WeakPolarHBondContact O-CD2 3.48Å; P138-F141 WeakPolarHBondContact O-CD2 3.48Å; P138-F141 PolarHBondContact O-N 3.23Å; D139-F141 VanDerWaalsContact C-N 3.33Å; F141-F143 HydrophobicContact CB-CD1 4.39Å
142	V	94.4	Very high	91	Very high	13 Å²	13	44.2 Å²	44.2	8%	0.079	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	113.3	177.2	-175.1	0	0	0	0	107.9	L116 V117 D118 L163 V167 V170	L116-V142 PolarHBondContact O-N 3.43Å; V117-V142 WeakPolarHBondContact CA-O 3.31Å; D118-V142 PolarHBondContact N-O 3.15Å; V142-L163 HydrophobicContact CG1-CD1 3.7Å; V142-L163 HydrophobicContact CG1-CD2 4.35Å; V142-L163 HydrophobicContact CG1-CG 3.96Å; V142-V167 HydrophobicContact CB-CG2 3.96Å; V142-V167 HydrophobicContact CG1-CG2 3.55Å; V142-V167 HydrophobicContact CG2-CG2 4.45Å; V142-V170 HydrophobicContact CG2-CG2 3.82Å
143	F	92.8	Very high	91.2	Very high	87 Å²	87	43.2 Å²	43.2	38%	0.382	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	146	-177	59.5	-88.2	0	0	0	113.9	D118 P121 M124 F141	D118-F143 CarbonylContact O-C 3.2Å; D118-F143 WeakPolarHBondContact O-CA 3.37Å; D118-F143 WeakPolarHBondContact O-CB 3.31Å; P121-F143 HydrophobicContact CB-CD2 4.08Å; P121-F143 HydrophobicContact CB-CE2 4.47Å; M124-F143 HydrophobicContact CG-CB 3.96Å; M124-F143 HydrophobicContact CG-CD1 4.05Å; M124-F143 HydrophobicContact CG-CG 4.14Å; F141-F143 HydrophobicContact CB-CD1 4.39Å
144	G	89.9	Confident	91.4	Very high	12 Å²	12	46.1 Å²	46.1	12%	0.124	25%	0.252	C	S	.	.			trans	-83.5	177.9	174.6	0	0	0	0	0	113	D118 L119	D118-G144 PolarHBondContact O-N 2.67Å; L119-G144 CarbonylContact O-C 3.44Å; L119-G144 WeakPolarHBondContact O-CA 3.33Å
145	Q	87.3	Confident	91.6	Very high	161 Å²	161	39.6 Å²	39.6	75%	0.752	22%	0.222	S	C	*	.	S	Bend	trans	-106.2	-15.1	170.9	-63.1	-65.9	-32.9	0	0	112.3
146	S	85.4	Confident	91.7	Very high	45 Å²	45	40 Å²	40	32%	0.315	22%	0.223	S	C	.	.	S	Bend	trans	-122.9	121.5	-172.4	-175.3	0	0	0	0	108.6	L119 E159	L119-S146 WeakPolarHBondContact CB-O 3.46Å; L119-S146 CarbonylContact O-C 3.58Å; L119-S146 PolarHBondContact O-N 3.38Å; S146-E159 VanDerWaalsContact CB-CD 3.48Å; S146-E159 WeakPolarHBondContact CB-OE1 3.28Å; S146-E159 WeakPolarHBondContact CB-OE2 3.01Å; S146-E159 VanDerWaalsContact OG-CD 3.29Å; S146-E159 PolarHBondContact OG-OE1 2.98Å
147	G	86	Confident	91.7	Very high	23 Å²	23	44.2 Å²	44.2	24%	0.237	24%	0.24	C	C	.	.			trans	-78.7	152.4	179.5	0	0	0	0	0	113	E120 G149	E120-G147 VanDerWaalsContact CG-CA 3.46Å; G147-G149 PolarHBondContact O-N 3.43Å
148	A	86.6	Confident	91.7	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.008	24%	0.239	C	C	.	.			trans	-71.2	-15.5	176.9	0	0	0	0	0	113.9	L119 N150 N151 K154	L119-A148 HydrophobicContact CD1-CB 3.95Å; A148-N150 VanDerWaalsContact C-N 3.34Å; A148-N150 PolarHBondContact O-N 2.8Å; A148-N151 WeakPolarHBondContact O-CB 3.28Å; A148-N151 PolarHBondContact O-N 2.72Å; A148-K154 HydrophobicContact CB-CB 4.39Å
149	G	87.9	Confident	91.7	Very high	53 Å²	53	41.5 Å²	41.5	55%	0.546	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	40	175.5	0	0	0	0	0	114.6	G147 N151	G147-G149 PolarHBondContact O-N 3.43Å; G149-N151 PolarHBondContact O-N 3.26Å
150	N	90.9	Very high	91.7	Very high	65 Å²	65	36.6 Å²	36.6	35%	0.348	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	26.6	-174.3	-64.2	-33.6	0	0	0	115	A148 T229 V231 N235	A148-N150 VanDerWaalsContact C-N 3.34Å; A148-N150 PolarHBondContact O-N 2.8Å; N150-T229 HydrophobicContact CB-CG2 4.07Å; N150-V231 HydrophobicContact CB-CG2 4.3Å; N150-V231 WeakPolarHBondContact O-CG2 3.28Å; N150-N235 PolarHBondContact O-ND2 2.87Å
151	N	93.8	Very high	91.6	Very high	8 Å²	8	38.3 Å²	38.3	4%	0.043	21%	0.214	C	C	.	.			trans	-109.1	114.6	174.6	-172.8	-18.5	0	0	0	110.4	A148 G149 A153 K154 G155 G193 W448 Y449	A148-N151 WeakPolarHBondContact O-CB 3.28Å; A148-N151 PolarHBondContact O-N 2.72Å; G149-N151 PolarHBondContact O-N 3.26Å; N151-A153 VanDerWaalsContact C-N 3.33Å; N151-A153 PolarHBondContact O-N 3.02Å; N151-A153 VanDerWaalsContact OD1-CB 3.31Å; N151-A153 WeakPolarHBondContact OD1-CB 3.4Å; N151-A153 PolarHBondContact OD1-N 3.5Å; N151-K154 HydrophobicContact CB-CB 4.22Å; N151-K154 HydrophobicContact CB-CD 4.26Å; N151-K154 HydrophobicContact CB-CG 4.08Å; N151-K154 PolarHBondContact O-N 2.9Å; N151-G155 PolarHBondContact O-N 3.41Å; N151-G193 WeakPolarHBondContact O-CA 3.49Å; N151-W448 PolarHBondContact ND2-O 3.49Å; N151-Y449 WeakPolarHBondContact OD1-CD1 3.36Å
152	W	96.1	Very high	91.5	Very high	4 Å²	4	45 Å²	45	2%	0.015	25%	0.245	C	C	.	.	H	α-helix	trans	-60.8	-39.9	176.7	-176	99.2	0	0	0	112.5	K154 G155 H156 Y157 G197 N235 L238 S239 Q242 Y449 M454	W152-K154 VanDerWaalsContact C-N 3.27Å; W152-K154 PolarHBondContact O-N 3.24Å; W152-G155 CarbonylContact O-C 3.59Å; W152-G155 PolarHBondContact O-N 3.24Å; W152-G155 VanDerWaalsContact O-N 3.08Å; W152-H156 HydrophobicContact CD2-CB 4.13Å; W152-H156 HydrophobicContact CE3-CB 3.86Å; W152-H156 HydrophobicContact CH2-CB 3.76Å; W152-H156 AromaticContact CH2-CD2 3.46Å; W152-H156 VanDerWaalsContact CH2-CD2 3.46Å; W152-H156 WeakPolarHBondContact CH2-CD2 3.13Å; W152-H156 AromaticContact CH2-CE1 3.93Å; W152-H156 AromaticContact CH2-CG 3.33Å; W152-H156 AromaticContact CH2-ND1 3.65Å; W152-H156 AromaticContact CH2-NE2 3.85Å; W152-H156 HydrophobicContact CZ2-CB 4.04Å; W152-H156 AromaticContact CZ2-CE1 3.92Å; W152-H156 AromaticContact CZ2-CG 3.62Å; W152-H156 AromaticContact CZ2-ND1 3.48Å; W152-H156 WeakPolarHBondContact CZ2-ND1 3.35Å; W152-H156 HydrophobicContact CZ3-CB 3.67Å; W152-H156 AromaticContact CZ3-CD2 3.93Å; W152-H156 AromaticContact CZ3-CG 3.74Å; W152-H156 WeakPolarHBondContact O-CB 3.41Å; W152-H156 PolarHBondContact O-N 2.94Å; W152-Y157 HydrophobicContact CH2-CE2 4.44Å; W152-Y157 HydrophobicContact CZ3-CD2 4.36Å; W152-Y157 AromaticContact CZ3-CE2 3.78Å; W152-Y157 HydrophobicContact CZ3-CE2 3.78Å; W152-G197 VanDerWaalsContact CD1-CA 3.4Å; W152-G197 VanDerWaalsContact CD1-N 3.3Å; W152-N235 HydrophobicContact CB-CB 4.17Å; W152-N235 WeakPolarHBondContact CB-OD1 3.37Å; W152-N235 PolarHBondContact N-OD1 2.61Å; W152-L238 HydrophobicContact CB-CD1 4.28Å; W152-L238 HydrophobicContact CD2-CB 3.83Å; W152-L238 HydrophobicContact CD2-CD1 3.91Å; W152-L238 HydrophobicContact CD2-CG 4.5Å; W152-L238 HydrophobicContact CE3-CB 4.21Å; W152-L238 HydrophobicContact CE3-CD1 3.72Å; W152-L238 HydrophobicContact CE3-CG 4.48Å; W152-L238 HydrophobicContact CG-CB 4.18Å; W152-L238 HydrophobicContact CG-CD1 4.16Å; W152-L238 HydrophobicContact CH2-CB 4.5Å; W152-L238 HydrophobicContact CZ2-CB 4.14Å; W152-L238 HydrophobicContact CZ3-CD1 4.35Å; W152-S239 VanDerWaalsContact CD1-OG 3.26Å; W152-S239 PolarHBondContact NE1-OG 2.85Å; W152-S239 VanDerWaalsContact NE1-OG 3.13Å; W152-Q242 HydrophobicContact CZ2-CG 4.2Å; W152-Y449 HydrophobicContact CB-CE1 4.09Å; W152-M454 HydrophobicContact CE3-CE 4.06Å; W152-M454 HydrophobicContact CE3-SD 3.78Å; W152-M454 HydrophobicContact CZ3-CE 3.71Å; W152-M454 HydrophobicContact CZ3-SD 3.8Å
153	A	95	Very high	91.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.5	-38.6	-179.2	0	0	0	0	0	111.8	N151 H156 Y157 Y449 E452 M454	N151-A153 VanDerWaalsContact C-N 3.33Å; N151-A153 PolarHBondContact O-N 3.02Å; N151-A153 VanDerWaalsContact OD1-CB 3.31Å; N151-A153 WeakPolarHBondContact OD1-CB 3.4Å; N151-A153 PolarHBondContact OD1-N 3.5Å; A153-H156 PolarHBondContact O-N 2.71Å; A153-Y157 WeakPolarHBondContact O-CB 3.44Å; A153-Y157 PolarHBondContact O-N 3.45Å; A153-Y449 HydrophobicContact CB-CD1 3.97Å; A153-Y449 HydrophobicContact CB-CG 4.49Å; A153-E452 HydrophobicContact CB-CB 3.77Å; A153-E452 HydrophobicContact CB-CG 4.16Å; A153-M454 HydrophobicContact CB-CG 3.92Å; A153-M454 HydrophobicContact CB-SD 3.46Å; A153-M454 WeakPolarHBondContact CB-SD 3.44Å
154	K	94.1	Very high	91.6	Very high	63 Å²	63	41.6 Å²	41.6	27%	0.274	23%	0.231	S	C	.	.	H	α-helix	trans	-63.6	-43.9	174.9	-74	-168.6	166.7	-165.4	0	112.8	A148 N151 W152 H156 T158 E159 G160 E452	A148-K154 HydrophobicContact CB-CB 4.39Å; N151-K154 HydrophobicContact CB-CB 4.22Å; N151-K154 HydrophobicContact CB-CD 4.26Å; N151-K154 HydrophobicContact CB-CG 4.08Å; N151-K154 PolarHBondContact O-N 2.9Å; W152-K154 VanDerWaalsContact C-N 3.27Å; W152-K154 PolarHBondContact O-N 3.24Å; K154-H156 VanDerWaalsContact C-N 3.28Å; K154-H156 PolarHBondContact O-N 2.91Å; K154-T158 VanDerWaalsContact CA-OG1 3.31Å; K154-T158 WeakPolarHBondContact CA-OG1 3.38Å; K154-T158 CarbonylContact O-C 3.58Å; K154-T158 PolarHBondContact O-N 3.03Å; K154-T158 PolarHBondContact O-OG1 2.84Å; K154-E159 PolarHBondContact O-N 3.11Å; K154-G160 PolarHBondContact O-N 2.75Å; K154-E452 VanDerWaalsContact CE-CD 3.43Å; K154-E452 WeakPolarHBondContact CE-OE1 3.46Å; K154-E452 VanDerWaalsContact CG-CD 3.46Å; K154-E452 HydrophobicContact CG-CG 3.71Å; K154-E452 WeakPolarHBondContact CG-OE2 3.42Å; K154-E452 IonicContact NZ-OE1 3.85Å
155	G	93.8	Very high	91.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-66.3	-31.3	176.4	0	0	0	0	0	112.8	N151 W152 G160 G197 M198	N151-G155 PolarHBondContact O-N 3.41Å; W152-G155 CarbonylContact O-C 3.59Å; W152-G155 PolarHBondContact O-N 3.24Å; W152-G155 VanDerWaalsContact O-N 3.08Å; G155-G160 VanDerWaalsContact O-CA 3.23Å; G155-G160 WeakPolarHBondContact O-CA 3.42Å; G155-G197 CarbonylContact O-C 3.5Å; G155-M198 WeakPolarHBondContact O-CA 3.1Å; G155-M198 WeakPolarHBondContact O-CB 3.24Å; G155-M198 PolarHBondContact O-N 3.27Å
156	H	94.9	Very high	92.1	Very high	17 Å²	17	41.2 Å²	41.2	8%	0.079	24%	0.236	C	C	.	.	H	α-helix	trans	-94.5	-39.7	-172.7	-159.2	80.5	0	0	0	114	W152 A153 K154 G197 T200 L201	W152-H156 HydrophobicContact CD2-CB 4.13Å; W152-H156 HydrophobicContact CE3-CB 3.86Å; W152-H156 HydrophobicContact CH2-CB 3.76Å; W152-H156 AromaticContact CH2-CD2 3.46Å; W152-H156 VanDerWaalsContact CH2-CD2 3.46Å; W152-H156 WeakPolarHBondContact CH2-CD2 3.13Å; W152-H156 AromaticContact CH2-CE1 3.93Å; W152-H156 AromaticContact CH2-CG 3.33Å; W152-H156 AromaticContact CH2-ND1 3.65Å; W152-H156 AromaticContact CH2-NE2 3.85Å; W152-H156 HydrophobicContact CZ2-CB 4.04Å; W152-H156 AromaticContact CZ2-CE1 3.92Å; W152-H156 AromaticContact CZ2-CG 3.62Å; W152-H156 AromaticContact CZ2-ND1 3.48Å; W152-H156 WeakPolarHBondContact CZ2-ND1 3.35Å; W152-H156 HydrophobicContact CZ3-CB 3.67Å; W152-H156 AromaticContact CZ3-CD2 3.93Å; W152-H156 AromaticContact CZ3-CG 3.74Å; W152-H156 WeakPolarHBondContact O-CB 3.41Å; W152-H156 PolarHBondContact O-N 2.94Å; A153-H156 PolarHBondContact O-N 2.71Å; K154-H156 VanDerWaalsContact C-N 3.28Å; K154-H156 PolarHBondContact O-N 2.91Å; H156-G197 PolarHBondContact ND1-O 3.06Å; H156-T200 PolarHBondContact ND1-OG1 3.23Å; H156-L201 WeakPolarHBondContact O-CD2 3.32Å
157	Y	93.5	Very high	92.6	Very high	99 Å²	99	39 Å²	39	39%	0.388	22%	0.221	S	C	.	.	H	α-helix	trans	-112.6	-26.6	-170.2	-67.7	-65	0	0	0	114.8	W152 A153 M454 E458	W152-Y157 HydrophobicContact CH2-CE2 4.44Å; W152-Y157 HydrophobicContact CZ3-CD2 4.36Å; W152-Y157 AromaticContact CZ3-CE2 3.78Å; W152-Y157 HydrophobicContact CZ3-CE2 3.78Å; A153-Y157 WeakPolarHBondContact O-CB 3.44Å; A153-Y157 PolarHBondContact O-N 3.45Å; Y157-M454 HydrophobicContact CD2-CG 3.64Å; Y157-M454 HydrophobicContact CD2-SD 4.31Å; Y157-M454 HydrophobicContact CE2-CE 4.34Å; Y157-M454 HydrophobicContact CE2-CG 3.36Å; Y157-M454 HydrophobicContact CE2-SD 3.97Å; Y157-E458 PolarHBondContact OH-OE2 2.89Å
158	T	92.3	Very high	93.1	Very high	40 Å²	40	38.2 Å²	38.2	25%	0.245	21%	0.211	C	C	.	.	S	Bend	trans	-112.7	-95.7	-174.8	62.5	0	0	0	0	111.8	K154 G160 A161 E162 E452	K154-T158 VanDerWaalsContact CA-OG1 3.31Å; K154-T158 WeakPolarHBondContact CA-OG1 3.38Å; K154-T158 CarbonylContact O-C 3.58Å; K154-T158 PolarHBondContact O-N 3.03Å; K154-T158 PolarHBondContact O-OG1 2.84Å; T158-G160 VanDerWaalsContact C-N 3.34Å; T158-G160 PolarHBondContact O-N 2.89Å; T158-A161 PolarHBondContact O-N 2.83Å; T158-A161 VanDerWaalsContact O-N 3.11Å; T158-E162 PolarHBondContact O-N 3.25Å; T158-E452 HydrophobicContact CG2-CB 4.23Å; T158-E452 VanDerWaalsContact CG2-OE2 3.28Å; T158-E452 WeakPolarHBondContact CG2-OE2 3.48Å; T158-E452 PolarHBondContact OG1-OE2 2.94Å
159	E	91.6	Very high	93.5	Very high	59 Å²	59	42.8 Å²	42.8	28%	0.276	24%	0.235	S	C	.	.	H	α-helix	trans	-59.2	-41.8	-173.3	-60.9	-74.8	-175.3	0	0	112.7	L119 S146 K154 E162 L163	L119-E159 HydrophobicContact CD1-CB 4.24Å; L119-E159 HydrophobicContact CD2-CB 4.24Å; S146-E159 VanDerWaalsContact CB-CD 3.48Å; S146-E159 WeakPolarHBondContact CB-OE1 3.28Å; S146-E159 WeakPolarHBondContact CB-OE2 3.01Å; S146-E159 VanDerWaalsContact OG-CD 3.29Å; S146-E159 PolarHBondContact OG-OE1 2.98Å; K154-E159 PolarHBondContact O-N 3.11Å; E159-E162 PolarHBondContact O-N 2.63Å; E159-L163 PolarHBondContact O-N 3.01Å
160	G	90.6	Very high	93.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-73	-28.7	179	0	0	0	0	0	113.6	K154 G155 T158 E162 L163 V164	K154-G160 PolarHBondContact O-N 2.75Å; G155-G160 VanDerWaalsContact O-CA 3.23Å; G155-G160 WeakPolarHBondContact O-CA 3.42Å; T158-G160 VanDerWaalsContact C-N 3.34Å; T158-G160 PolarHBondContact O-N 2.89Å; G160-E162 VanDerWaalsContact C-N 3.34Å; G160-L163 PolarHBondContact O-N 3.3Å; G160-V164 WeakPolarHBondContact O-CB 3.43Å; G160-V164 PolarHBondContact O-N 3.22Å
161	A	92.4	Very high	94.1	Very high	36 Å²	36	38.1 Å²	38.1	30%	0.298	20%	0.198	S	C	.	.	H	α-helix	trans	-70.7	-30	175.1	0	0	0	0	0	112.2	T158 V164 L201	T158-A161 PolarHBondContact O-N 2.83Å; T158-A161 VanDerWaalsContact O-N 3.11Å; A161-V164 WeakPolarHBondContact O-CG1 3.42Å; A161-L201 HydrophobicContact CB-CD2 4.17Å
162	E	92.6	Very high	94.2	Very high	158 Å²	158	41.2 Å²	41.2	74%	0.738	21%	0.21	S	C	*	.	H	α-helix	trans	-71.4	-34.2	172.7	-65.5	-172.2	178.4	0	0	112.3	T158 E159 G160	T158-E162 PolarHBondContact O-N 3.25Å; E159-E162 PolarHBondContact O-N 2.63Å; G160-E162 VanDerWaalsContact C-N 3.34Å
163	L	93.8	Very high	94.2	Very high	22 Å²	22	45.8 Å²	45.8	12%	0.115	23%	0.229	C	C	.	.	H	α-helix	trans	-86.9	-23	-177.1	-168.5	63.8	0	0	0	113.5	L119 V142 E159 G160 D165 S166 V167 M198	L119-L163 HydrophobicContact CD2-CB 4.14Å; L119-L163 HydrophobicContact CD2-CD2 3.69Å; V142-L163 HydrophobicContact CG1-CD1 3.7Å; V142-L163 HydrophobicContact CG1-CD2 4.35Å; V142-L163 HydrophobicContact CG1-CG 3.96Å; E159-L163 PolarHBondContact O-N 3.01Å; G160-L163 PolarHBondContact O-N 3.3Å; L163-D165 VanDerWaalsContact C-N 3.3Å; L163-D165 PolarHBondContact O-N 2.92Å; L163-S166 WeakPolarHBondContact O-CB 3.37Å; L163-S166 PolarHBondContact O-N 3.06Å; L163-S166 VanDerWaalsContact O-N 3.14Å; L163-V167 PolarHBondContact O-N 2.83Å; L163-M198 HydrophobicContact CB-CE 3.75Å; L163-M198 HydrophobicContact CD2-CE 3.86Å; L163-M198 HydrophobicContact CD2-SD 4.31Å; L163-M198 HydrophobicContact CG-CE 3.83Å
164	V	94.4	Very high	94.1	Very high	8 Å²	8	45.8 Å²	45.8	5%	0.048	23%	0.229	C	C	.	.	H	α-helix	trans	-56.9	-40.1	-172.4	76.4	0	0	0	0	112.8	G160 A161 S166 V167 L168 L201 L202	G160-V164 WeakPolarHBondContact O-CB 3.43Å; G160-V164 PolarHBondContact O-N 3.22Å; A161-V164 WeakPolarHBondContact O-CG1 3.42Å; V164-S166 VanDerWaalsContact C-N 3.31Å; V164-S166 PolarHBondContact O-N 3.26Å; V164-V167 WeakPolarHBondContact O-CB 3.28Å; V164-V167 PolarHBondContact O-N 3.12Å; V164-V167 VanDerWaalsContact O-N 3.09Å; V164-L168 HydrophobicContact CG2-CD1 4.27Å; V164-L168 HydrophobicContact CG2-CG 4.4Å; V164-L168 WeakPolarHBondContact O-CG 3.38Å; V164-L168 PolarHBondContact O-N 2.89Å; V164-L201 HydrophobicContact CB-CD2 3.99Å; V164-L201 HydrophobicContact CG1-CD2 4.16Å; V164-L201 HydrophobicContact CG2-CD2 4.06Å; V164-L201 HydrophobicContact CG2-CG 4.19Å; V164-L202 HydrophobicContact CG2-CD2 3.48Å; V164-L202 VanDerWaalsContact CG2-CD2 3.48Å; V164-L202 HydrophobicContact CG2-CG 3.99Å
165	D	94.2	Very high	94.1	Very high	102 Å²	102	43.3 Å²	43.3	55%	0.545	22%	0.22	S	C	.	.	H	α-helix	trans	-63.5	-39.1	-178.2	-72.6	-26.6	0	0	0	111.6	L163 V167 L168 D169	L163-D165 VanDerWaalsContact C-N 3.3Å; L163-D165 PolarHBondContact O-N 2.92Å; D165-V167 VanDerWaalsContact C-N 3.31Å; D165-V167 PolarHBondContact O-N 3.34Å; D165-L168 PolarHBondContact O-N 3.45Å; D165-D169 PolarHBondContact O-N 2.97Å
166	S	95.1	Very high	94	Very high	62 Å²	62	51.3 Å²	51.3	43%	0.434	26%	0.257	S	S	.	.	H	α-helix	trans	-65.2	-36.7	175.8	-62.1	0	0	0	0	111.7	L163 V164 V170	L163-S166 WeakPolarHBondContact O-CB 3.37Å; L163-S166 PolarHBondContact O-N 3.06Å; L163-S166 VanDerWaalsContact O-N 3.14Å; V164-S166 VanDerWaalsContact C-N 3.31Å; V164-S166 PolarHBondContact O-N 3.26Å; S166-V170 PolarHBondContact O-N 2.75Å
167	V	95.5	Very high	93.8	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-68.1	-45.2	175	-179.3	0	0	0	0	110.4	I115 V117 V142 L163 V164 D165 D169 V170 V171 M198 L202	I115-V167 HydrophobicContact CG2-CG1 4.22Å; V117-V167 HydrophobicContact CB-CG2 4.44Å; V117-V167 HydrophobicContact CG1-CG2 3.72Å; V117-V167 HydrophobicContact CG2-CB 4.43Å; V117-V167 HydrophobicContact CG2-CG1 3.67Å; V117-V167 HydrophobicContact CG2-CG2 3.81Å; V142-V167 HydrophobicContact CB-CG2 3.96Å; V142-V167 HydrophobicContact CG1-CG2 3.55Å; V142-V167 HydrophobicContact CG2-CG2 4.45Å; L163-V167 PolarHBondContact O-N 2.83Å; V164-V167 WeakPolarHBondContact O-CB 3.28Å; V164-V167 PolarHBondContact O-N 3.12Å; V164-V167 VanDerWaalsContact O-N 3.09Å; D165-V167 VanDerWaalsContact C-N 3.31Å; D165-V167 PolarHBondContact O-N 3.34Å; V167-D169 VanDerWaalsContact C-N 3.27Å; V167-D169 PolarHBondContact O-N 3.21Å; V167-V170 PolarHBondContact O-N 3.19Å; V167-V170 VanDerWaalsContact O-N 3.08Å; V167-V171 HydrophobicContact CG1-CG2 4.19Å; V167-V171 WeakPolarHBondContact O-CG2 3.43Å; V167-V171 PolarHBondContact O-N 2.71Å; V167-M198 HydrophobicContact CG2-CE 3.75Å; V167-L202 HydrophobicContact CB-CD2 3.84Å; V167-L202 HydrophobicContact CG1-CD1 4.14Å; V167-L202 HydrophobicContact CG1-CD2 3.57Å
168	L	95.4	Very high	93.6	Very high	6 Å²	6	49.5 Å²	49.5	3%	0.031	26%	0.261	C	S	.	.	H	α-helix	trans	-61	-35.7	179.9	-71.7	171.8	0	0	0	112.1	V164 D165 V170 V171 R172 K205 I206	V164-L168 HydrophobicContact CG2-CD1 4.27Å; V164-L168 HydrophobicContact CG2-CG 4.4Å; V164-L168 WeakPolarHBondContact O-CG 3.38Å; V164-L168 PolarHBondContact O-N 2.89Å; D165-L168 PolarHBondContact O-N 3.45Å; L168-V170 VanDerWaalsContact C-N 3.33Å; L168-V170 PolarHBondContact O-N 2.66Å; L168-V171 PolarHBondContact O-N 3.2Å; L168-R172 WeakPolarHBondContact O-CB 3.4Å; L168-R172 VanDerWaalsContact O-CG 3.28Å; L168-R172 WeakPolarHBondContact O-CG 3.03Å; L168-R172 PolarHBondContact O-N 3.37Å; L168-K205 HydrophobicContact CD1-CB 3.84Å; L168-K205 HydrophobicContact CD1-CG 4.26Å; L168-K205 HydrophobicContact CD2-CB 4.1Å; L168-I206 HydrophobicContact CD2-CG1 3.96Å
169	D	96	Very high	93.5	Very high	96 Å²	96	54.1 Å²	54.1	51%	0.513	28%	0.284	S	S	.	.	H	α-helix	trans	-62.7	-39.1	174.1	-74.9	-15	0	0	0	112.6	D165 V167 R172 K173	D165-D169 PolarHBondContact O-N 2.97Å; V167-D169 VanDerWaalsContact C-N 3.27Å; V167-D169 PolarHBondContact O-N 3.21Å; D169-R172 IonicContact OD1-CZ 2.83Å; D169-R172 IonicContact OD1-NH1 3.29Å; D169-R172 PolarHBondContact OD1-NH1 3.44Å; D169-K173 WeakPolarHBondContact O-CB 3.25Å; D169-K173 PolarHBondContact O-N 2.96Å
170	V	96.1	Very high	93.4	Very high	20 Å²	20	54 Å²	54	12%	0.121	29%	0.289	C	S	.	.	H	α-helix	trans	-69.7	-41.1	173.9	-178.9	0	0	0	0	110.9	I115 N140 V142 S166 V167 L168 R172 K173 E174	I115-V170 HydrophobicContact CD1-CG1 3.98Å; I115-V170 HydrophobicContact CG1-CG1 3.93Å; I115-V170 HydrophobicContact CG2-CG1 4.15Å; N140-V170 HydrophobicContact CB-CG1 4.24Å; V142-V170 HydrophobicContact CG2-CG2 3.82Å; S166-V170 PolarHBondContact O-N 2.75Å; V167-V170 PolarHBondContact O-N 3.19Å; V167-V170 VanDerWaalsContact O-N 3.08Å; L168-V170 VanDerWaalsContact C-N 3.33Å; L168-V170 PolarHBondContact O-N 2.66Å; V170-R172 VanDerWaalsContact C-N 3.32Å; V170-R172 PolarHBondContact O-N 3.11Å; V170-K173 PolarHBondContact O-N 2.88Å; V170-E174 PolarHBondContact O-N 2.88Å
171	V	95.8	Very high	93.5	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-58.5	-44.4	175.3	174.6	0	0	0	0	110.8	I58 I115 V167 L168 E174 S175 F184 I206	I58-V171 HydrophobicContact CD1-CG2 4.02Å; I115-V171 HydrophobicContact CD1-CB 4.09Å; I115-V171 HydrophobicContact CD1-CG2 3.46Å; I115-V171 VanDerWaalsContact CD1-CG2 3.46Å; V167-V171 HydrophobicContact CG1-CG2 4.19Å; V167-V171 WeakPolarHBondContact O-CG2 3.43Å; V167-V171 PolarHBondContact O-N 2.71Å; L168-V171 PolarHBondContact O-N 3.2Å; V171-E174 PolarHBondContact O-N 2.77Å; V171-S175 VanDerWaalsContact O-CB 3.26Å; V171-S175 WeakPolarHBondContact O-CB 3.48Å; V171-S175 PolarHBondContact O-N 2.89Å; V171-S175 PolarHBondContact O-OG 3.1Å; V171-F184 HydrophobicContact CG1-CD1 4.28Å; V171-F184 HydrophobicContact CG1-CE1 3.51Å; V171-F184 HydrophobicContact CG1-CZ 4.1Å; V171-I206 HydrophobicContact CG1-CD1 4.42Å; V171-I206 HydrophobicContact CG1-CG1 4.45Å; V171-I206 HydrophobicContact CG2-CD1 4.48Å
172	R	95.6	Very high	93.3	Very high	74 Å²	74	54 Å²	54	28%	0.279	28%	0.283	S	S	.	.	H	α-helix	trans	-60	-50.3	175	-75.8	169.4	-166	130.3	6.8	111.4	L168 D169 V170 E174 S175 E176 E209	L168-R172 WeakPolarHBondContact O-CB 3.4Å; L168-R172 VanDerWaalsContact O-CG 3.28Å; L168-R172 WeakPolarHBondContact O-CG 3.03Å; L168-R172 PolarHBondContact O-N 3.37Å; D169-R172 IonicContact OD1-CZ 2.83Å; D169-R172 IonicContact OD1-NH1 3.29Å; D169-R172 PolarHBondContact OD1-NH1 3.44Å; V170-R172 VanDerWaalsContact C-N 3.32Å; V170-R172 PolarHBondContact O-N 3.11Å; R172-E174 VanDerWaalsContact C-N 3.32Å; R172-E174 PolarHBondContact O-N 3.39Å; R172-S175 PolarHBondContact O-N 3.49Å; R172-S175 VanDerWaalsContact O-N 3.12Å; R172-E176 WeakPolarHBondContact O-CB 3.06Å; R172-E176 WeakPolarHBondContact O-CG 3.42Å; R172-E176 PolarHBondContact O-N 2.8Å; R172-E209 WeakPolarHBondContact CD-OE1 3.49Å; R172-E209 WeakPolarHBondContact CG-OE1 3.32Å; R172-E209 IonicContact CZ-OE1 2.75Å; R172-E209 IonicContact CZ-OE2 3.25Å; R172-E209 VanDerWaalsContact CZ-OE2 3.29Å; R172-E209 VanDerWaalsContact NE-CD 3.33Å; R172-E209 IonicContact NE-OE1 3.3Å; R172-E209 PolarHBondContact NE-OE1 3.08Å; R172-E209 IonicContact NE-OE2 3.5Å; R172-E209 PolarHBondContact NE-OE2 2.89Å; R172-E209 IonicContact NH2-OE1 4Å; R172-E209 IonicContact NH2-OE2 3.88Å; R172-E209 PolarHBondContact NH2-OE2 3.1Å
173	K	95	Very high	93.3	Very high	99 Å²	99	46.4 Å²	46.4	43%	0.43	25%	0.248	S	C	.	.	H	α-helix	trans	-57.3	-43.4	179.2	-176.7	-178	175	-173.3	0	112.4	D139 D169 V170 S177	D139-K173 IonicContact OD2-NZ 2.87Å; D139-K173 PolarHBondContact OD2-NZ 2.81Å; D169-K173 WeakPolarHBondContact O-CB 3.25Å; D169-K173 PolarHBondContact O-N 2.96Å; V170-K173 PolarHBondContact O-N 2.88Å; K173-S177 PolarHBondContact O-N 3.45Å
174	E	93.8	Very high	93.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-71.3	-38.5	176.9	-68.4	-63.5	156.3	0	0	111.6	V56 N103 R113 I115 R137 N140 V170 V171 R172 S177 C178	V56-E174 HydrophobicContact CG2-CB 4.32Å; N103-E174 PolarHBondContact ND2-OE2 3.24Å; R113-E174 HydrophobicContact CG-CB 4.24Å; R113-E174 HydrophobicContact CG-CG 4.49Å; I115-E174 HydrophobicContact CD1-CG 4.41Å; R137-E174 IonicContact CZ-OE1 2.67Å; R137-E174 IonicContact NH1-OE1 2.85Å; R137-E174 PolarHBondContact NH1-OE1 2.98Å; R137-E174 IonicContact NH1-OE2 3.85Å; N140-E174 PolarHBondContact ND2-OE1 2.91Å; N140-E174 PolarHBondContact OD1-OE1 3.44Å; V170-E174 PolarHBondContact O-N 2.88Å; V171-E174 PolarHBondContact O-N 2.77Å; R172-E174 VanDerWaalsContact C-N 3.32Å; R172-E174 PolarHBondContact O-N 3.39Å; E174-S177 PolarHBondContact O-N 3.42Å; E174-S177 PolarHBondContact O-OG 2.94Å; E174-C178 PolarHBondContact O-SG 2.93Å
175	S	92.9	Very high	93.5	Very high	11 Å²	11	45.3 Å²	45.3	8%	0.077	24%	0.242	C	C	.	.	H	α-helix	trans	-65.3	-40.9	178.1	-59.7	0	0	0	0	112.8	V171 R172 S177 C178	V171-S175 VanDerWaalsContact O-CB 3.26Å; V171-S175 WeakPolarHBondContact O-CB 3.48Å; V171-S175 PolarHBondContact O-N 2.89Å; V171-S175 PolarHBondContact O-OG 3.1Å; R172-S175 PolarHBondContact O-N 3.49Å; R172-S175 VanDerWaalsContact O-N 3.12Å; S175-S177 PolarHBondContact O-N 3.44Å; S175-C178 WeakPolarHBondContact O-CB 3.47Å; S175-C178 PolarHBondContact O-N 3.24Å
176	E	92.8	Very high	93.6	Very high	168 Å²	168	40.7 Å²	40.7	79%	0.785	22%	0.217	S	C	*	.	H	α-helix	trans	-67.1	-24.1	175	-72.6	-175.8	168.1	0	0	112.8	R172 C178	R172-E176 WeakPolarHBondContact O-CB 3.06Å; R172-E176 WeakPolarHBondContact O-CG 3.42Å; R172-E176 PolarHBondContact O-N 2.8Å; E176-C178 VanDerWaalsContact C-N 3.27Å
177	S	89.8	Confident	93.7	Very high	62 Å²	62	37.8 Å²	37.8	43%	0.434	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-6.6	176.2	78.1	0	0	0	0	113.9	K173 E174 S175	K173-S177 PolarHBondContact O-N 3.45Å; E174-S177 PolarHBondContact O-N 3.42Å; E174-S177 PolarHBondContact O-OG 2.94Å; S175-S177 PolarHBondContact O-N 3.44Å
178	C	90.9	Very high	93.8	Very high	17 Å²	17	37.9 Å²	37.9	12%	0.115	20%	0.197	C	C	.	.			trans	-89.7	141.1	-179.8	-61.3	0	0	0	0	111.4	E54 R113 E174 S175 E176 L181	E54-C178 HydrophobicContact CB-CB 3.69Å; E54-C178 WeakPolarHBondContact CB-SG 3.38Å; E54-C178 HydrophobicContact CG-CB 3.71Å; R113-C178 PolarHBondContact NE-SG 3.45Å; R113-C178 VanDerWaalsContact NE-SG 3.4Å; E174-C178 PolarHBondContact O-SG 2.93Å; S175-C178 WeakPolarHBondContact O-CB 3.47Å; S175-C178 PolarHBondContact O-N 3.24Å; E176-C178 VanDerWaalsContact C-N 3.27Å; C178-L181 HydrophobicContact CB-CB 4.26Å
179	D	89.3	Confident	93.7	Very high	136 Å²	136	38.4 Å²	38.4	73%	0.727	20%	0.201	S	C	*	.	S	Bend	trans	-71.8	-45.1	173.7	-71.7	-24	0	0	0	111.2	M52 E54	M52-D179 HydrophobicContact CB-CB 4.36Å; E54-D179 PolarHBondContact OE1-N 3.22Å; E54-D179 PolarHBondContact OE2-N 3.14Å
180	C	89.4	Confident	93.6	Very high	56 Å²	56	34.1 Å²	34.1	38%	0.378	18%	0.178	S	C	.	.	S	Bend	trans	-149.4	85.9	176.7	-168.8	0	0	0	0	111.7	M52 E54 Q182	M52-C180 WeakPolarHBondContact O-CB 3.4Å; E54-C180 PolarHBondContact N-O 3.32Å; E54-C180 WeakPolarHBondContact OE2-CA 3.26Å; E54-C180 PolarHBondContact OE2-N 3.23Å; E54-C180 VanDerWaalsContact OE2-O 3.08Å; C180-Q182 PolarHBondContact O-N 2.84Å
181	L	91.8	Very high	93.3	Very high	9 Å²	9	33.3 Å²	33.3	5%	0.047	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55	121.3	176	-178.8	65.1	0	0	0	112.2	V56 C178 F184 R213	V56-L181 HydrophobicContact CB-CD1 4.41Å; V56-L181 HydrophobicContact CG2-CD1 3.7Å; C178-L181 HydrophobicContact CB-CB 4.26Å; L181-F184 HydrophobicContact CD2-CE1 4.21Å; L181-F184 HydrophobicContact CD2-CE2 4.07Å; L181-F184 HydrophobicContact CD2-CZ 3.64Å; L181-R213 HydrophobicContact CD2-CG 4.35Å; L181-R213 WeakPolarHBondContact O-CD 3.3Å; L181-R213 PolarHBondContact O-NH1 2.94Å
182	Q	89.4	Confident	93.1	Very high	27 Å²	27	34 Å²	34	13%	0.126	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	-44.4	172.2	-62.7	-167.6	60.9	0	0	111.7	R53 E54 I55 C180 I214 L301	R53-Q182 HydrophobicContact CB-CG 3.56Å; R53-Q182 HydrophobicContact CG-CG 4.45Å; R53-Q182 PolarHBondContact O-NE2 3.36Å; E54-Q182 WeakPolarHBondContact O-CB 3.44Å; E54-Q182 PolarHBondContact O-N 2.84Å; I55-Q182 HydrophobicContact CG1-CB 4.22Å; C180-Q182 PolarHBondContact O-N 2.84Å; Q182-I214 PolarHBondContact O-N 3.48Å; Q182-L301 HydrophobicContact CB-CD1 4.23Å
183	G	92.9	Very high	92.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.3	-173.8	-166.4	0	0	0	0	0	113.9	V56 I214	V56-G183 PolarHBondContact N-O 3.48Å; G183-I214 CarbonylContact C-O 3.59Å; G183-I214 WeakPolarHBondContact CA-O 3.2Å
184	F	96.2	Very high	92.8	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.009	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	142.3	-177.7	-57.5	-85.3	0	0	0	110	V56 I58 V171 L181 I206 Y210 R213 I214 M215 N216	V56-F184 HydrophobicContact CB-CD1 3.71Å; V56-F184 HydrophobicContact CB-CE1 3.95Å; V56-F184 HydrophobicContact CG1-CD1 3.98Å; V56-F184 HydrophobicContact CG1-CE1 4.19Å; V56-F184 HydrophobicContact CG2-CD1 4.47Å; V56-F184 HydrophobicContact CG2-CE1 4.23Å; V56-F184 WeakPolarHBondContact O-CA 3.31Å; I58-F184 HydrophobicContact CD1-CD1 4.18Å; V171-F184 HydrophobicContact CG1-CD1 4.28Å; V171-F184 HydrophobicContact CG1-CE1 3.51Å; V171-F184 HydrophobicContact CG1-CZ 4.1Å; L181-F184 HydrophobicContact CD2-CE1 4.21Å; L181-F184 HydrophobicContact CD2-CE2 4.07Å; L181-F184 HydrophobicContact CD2-CZ 3.64Å; F184-I206 HydrophobicContact CD1-CG2 4.3Å; F184-I206 HydrophobicContact CD2-CG2 3.31Å; F184-I206 HydrophobicContact CE1-CG2 4.31Å; F184-I206 HydrophobicContact CE2-CG2 3.29Å; F184-I206 HydrophobicContact CG-CG2 3.83Å; F184-I206 HydrophobicContact CZ-CG2 3.82Å; F184-Y210 AromaticContact CE2-CD2 3.95Å; F184-Y210 HydrophobicContact CE2-CD2 3.95Å; F184-Y210 AromaticContact CE2-CG 3.85Å; F184-Y210 HydrophobicContact CE2-CG 3.85Å; F184-Y210 HydrophobicContact CZ-CD1 4.36Å; F184-Y210 AromaticContact CZ-CD2 3.74Å; F184-Y210 HydrophobicContact CZ-CD2 3.74Å; F184-Y210 HydrophobicContact CZ-CE2 4.11Å; F184-Y210 AromaticContact CZ-CG 3.9Å; F184-Y210 HydrophobicContact CZ-CG 3.9Å; F184-R213 HydrophobicContact CE2-CB 4.21Å; F184-I214 PolarHBondContact N-O 2.92Å; F184-M215 HydrophobicContact CB-CE 3.79Å; F184-M215 HydrophobicContact CB-SD 3.93Å; F184-M215 HydrophobicContact CD2-CE 4.07Å; F184-M215 HydrophobicContact CG-CE 4.18Å; F184-N216 PolarHBondContact O-N 2.84Å
185	Q	95.8	Very high	92.8	Very high	5 Å²	5	26.5 Å²	26.5	2%	0.023	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	108	174.4	-178.1	-174.5	-11.5	0	0	109.4	I55 V56 H57 I58 Y101 N216 F218	I55-Q185 HydrophobicContact CG2-CB 3.98Å; V56-Q185 PolarHBondContact O-N 3.4Å; H57-Q185 CarbonylContact C-O 3.5Å; H57-Q185 WeakPolarHBondContact CA-O 3.36Å; H57-Q185 PolarHBondContact ND1-O 2.83Å; I58-Q185 PolarHBondContact N-O 3.43Å; Y101-Q185 VanDerWaalsContact CE1-OE1 3.29Å; Y101-Q185 PolarHBondContact OH-OE1 3.35Å; Q185-N216 CarbonylContact C-O 3.54Å; Q185-N216 WeakPolarHBondContact CA-O 3.42Å; Q185-F218 HydrophobicContact CG-CD2 3.81Å; Q185-F218 HydrophobicContact CG-CE2 3.66Å
186	L	97	Very high	92.8	Very high	4 Å²	4	26 Å²	26	2%	0.021	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	133.7	176.4	-176.8	68.5	0	0	0	111.3	I58 A60 H188 I203 N216 T217 F218	I58-L186 HydrophobicContact CB-CD1 3.79Å; I58-L186 HydrophobicContact CG2-CD1 3.62Å; I58-L186 CarbonylContact O-C 3.58Å; I58-L186 VanDerWaalsContact O-CA 3.31Å; I58-L186 WeakPolarHBondContact O-CA 3.25Å; A60-L186 HydrophobicContact CB-CD1 4.06Å; L186-H188 HydrophobicContact CD2-CB 4.37Å; L186-H188 WeakPolarHBondContact CD2-ND1 3.46Å; L186-H188 HydrophobicContact CG-CB 4.33Å; L186-I203 HydrophobicContact CD2-CD1 3.47Å; L186-I203 VanDerWaalsContact CD2-CD1 3.47Å; L186-I203 HydrophobicContact CD2-CG1 3.69Å; L186-N216 PolarHBondContact N-O 2.9Å; L186-T217 HydrophobicContact CB-CG2 4.25Å; L186-T217 CarbonylContact O-C 3.49Å; L186-T217 WeakPolarHBondContact O-CA 3.4Å; L186-F218 PolarHBondContact O-N 3.5Å
187	T	96.8	Very high	92.9	Very high	1 Å²	1	18 Å²	18	1%	0.006	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	123.5	164.1	51.2	0	0	0	0	110.2	I58 Q59 A60 G64 F218 M284	I58-T187 PolarHBondContact O-N 3.25Å; I58-T187 PolarHBondContact O-OG1 3.39Å; Q59-T187 WeakPolarHBondContact CG-OG1 3.32Å; A60-T187 PolarHBondContact N-O 3.18Å; G64-T187 VanDerWaalsContact CA-O 3.28Å; G64-T187 WeakPolarHBondContact CA-O 3.47Å; G64-T187 PolarHBondContact O-OG1 2.95Å; T187-F218 HydrophobicContact CG2-CB 3.9Å; T187-F218 HydrophobicContact CG2-CD2 4.34Å; T187-F218 HydrophobicContact CG2-CG 4.42Å; T187-M284 HydrophobicContact CG2-CE 3.3Å; T187-M284 HydrophobicContact CG2-SD 4.11Å
188	H	96.7	Very high	93.2	Very high	2 Å²	2	15 Å²	15	1%	0.009	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	171.6	-178.2	69.6	171.9	0	0	0	112.3	A60 L186 G195 F218 S219 V220	A60-H188 HydrophobicContact CB-CB 4.29Å; L186-H188 HydrophobicContact CD2-CB 4.37Å; L186-H188 WeakPolarHBondContact CD2-ND1 3.46Å; L186-H188 HydrophobicContact CG-CB 4.33Å; H188-G195 WeakPolarHBondContact CB-O 3.18Å; H188-G195 PolarHBondContact ND1-O 3.36Å; H188-F218 PolarHBondContact N-O 2.83Å; H188-F218 VanDerWaalsContact N-O 3.15Å; H188-S219 PolarHBondContact CD2-OG 3.1Å; H188-S219 PolarHBondContact NE2-OG 2.96Å; H188-V220 PolarHBondContact O-N 3.2Å
189	S	94.7	Very high	93.4	Very high	18 Å²	18	14.2 Å²	14.2	13%	0.126	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	139.4	171.7	58.9	0	0	0	0	110.6	G195 S196	S189-G195 CarbonylContact O-C 3.39Å; S189-S196 WeakPolarHBondContact O-CB 3.27Å; S189-S196 PolarHBondContact O-N 3.45Å
190	L	94.1	Very high	93.7	Very high	5 Å²	5	7.8 Å²	7.8	3%	0.026	5%	0.051	C	C	.	.	S	Bend	trans	-80.9	-20.8	178.4	-52.5	-175.4	0	0	0	113.2	S196 V220 V221 N235 A236 V240 L243	L190-S196 WeakPolarHBondContact O-CB 3.3Å; L190-V220 PolarHBondContact N-O 3.43Å; L190-V221 HydrophobicContact CD1-CG2 4.22Å; L190-N235 CarbonylContact O-C 3.59Å; L190-N235 VanDerWaalsContact O-CB 3.32Å; L190-N235 WeakPolarHBondContact O-CB 3.19Å; L190-A236 HydrophobicContact CB-CB 4.16Å; L190-A236 WeakPolarHBondContact O-CA 3.48Å; L190-A236 PolarHBondContact O-N 2.7Å; L190-V240 HydrophobicContact CD1-CG2 3.94Å; L190-L243 HydrophobicContact CD1-CD1 4.21Å; L190-L243 HydrophobicContact CD2-CD1 3.63Å
191	G	89.7	Confident	94	Very high	4 Å²	4	6 Å²	6	4%	0.041	4%	0.038	C	C	.	.	S	Bend	trans	-82.5	-21.3	-178	0	0	0	0	0	115.4	N235	G191-N235 PolarHBondContact O-ND2 3.37Å
192	G	90.4	Very high	94.2	Very high	13 Å²	13	5.7 Å²	5.7	13%	0.134	4%	0.036	C	C	.	.	S	Bend	trans	-75.4	-166.5	-178	0	0	0	0	0	113.3	S196 N235	G192-S196 WeakPolarHBondContact O-CB 3.41Å; G192-S196 PolarHBondContact O-OG 2.96Å; G192-N235 WeakPolarHBondContact O-CB 3.32Å; G192-N235 VanDerWaalsContact O-CG 3.23Å; G192-N235 PolarHBondContact O-ND2 2.96Å
193	G	91.6	Very high	94.5	Very high	3 Å²	3	4.6 Å²	4.6	3%	0.031	3%	0.031	C	C	.	.	S	Bend	trans	-105.5	-48	169.2	0	0	0	0	0	112.8	N151 S196 G197	N151-G193 WeakPolarHBondContact O-CA 3.49Å; G193-S196 PolarHBondContact O-OG 2.96Å; G193-G197 PolarHBondContact O-N 3.25Å
194	T	93.7	Very high	94.6	Very high	12 Å²	12	5.8 Å²	5.8	7%	0.074	4%	0.04	C	C	.	.	I	π-helix	trans	-69.1	-58.1	179.3	-49.5	0	0	0	0	111.7	L119 S196 M198 G199	L119-T194 HydrophobicContact CB-CG2 4.07Å; L119-T194 HydrophobicContact CD1-CG2 3.9Å; L119-T194 HydrophobicContact CG-CG2 3.75Å; T194-S196 PolarHBondContact O-N 2.89Å; T194-M198 HydrophobicContact CG2-CB 4.42Å; T194-M198 HydrophobicContact CG2-SD 4.33Å; T194-M198 WeakPolarHBondContact O-CA 3.21Å; T194-M198 WeakPolarHBondContact O-CB 3.35Å; T194-M198 PolarHBondContact O-N 2.98Å; T194-G199 PolarHBondContact O-N 3.06Å
195	G	93	Very high	94.6	Very high	2 Å²	2	9 Å²	9	2%	0.021	5%	0.054	C	C	.	.	I	π-helix	trans	-61.8	-33.7	-175.8	0	0	0	0	0	112.5	A60 H188 S189 G199	A60-G195 WeakPolarHBondContact O-CA 3.4Å; H188-G195 WeakPolarHBondContact CB-O 3.18Å; H188-G195 PolarHBondContact ND1-O 3.36Å; S189-G195 CarbonylContact O-C 3.39Å; G195-G199 WeakPolarHBondContact O-CA 3.38Å; G195-G199 PolarHBondContact O-N 3.21Å
196	S	94.1	Very high	94.6	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.053	C	C	.	.	I	π-helix	trans	-80.7	-66.8	-179.5	62.8	0	0	0	0	110.9	S189 L190 G192 G193 T194 T200 S239	S189-S196 WeakPolarHBondContact O-CB 3.27Å; S189-S196 PolarHBondContact O-N 3.45Å; L190-S196 WeakPolarHBondContact O-CB 3.3Å; G192-S196 WeakPolarHBondContact O-CB 3.41Å; G192-S196 PolarHBondContact O-OG 2.96Å; G193-S196 PolarHBondContact O-OG 2.96Å; T194-S196 PolarHBondContact O-N 2.89Å; S196-T200 WeakPolarHBondContact O-CB 3.1Å; S196-T200 VanDerWaalsContact O-CG2 3.27Å; S196-T200 WeakPolarHBondContact O-CG2 3.39Å; S196-T200 PolarHBondContact O-N 3.03Å; S196-T200 PolarHBondContact O-OG1 3.24Å; S196-S239 VanDerWaalsContact CB-OG 3.27Å; S196-S239 WeakPolarHBondContact CB-OG 3.49Å
197	G	94.5	Very high	94.4	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.064	C	C	.	.	I	π-helix	trans	-68.7	-50.7	-173.5	0	0	0	0	0	113.7	W152 G155 H156 G193 T200 L201	W152-G197 VanDerWaalsContact CD1-CA 3.4Å; W152-G197 VanDerWaalsContact CD1-N 3.3Å; G155-G197 CarbonylContact O-C 3.5Å; H156-G197 PolarHBondContact ND1-O 3.06Å; G193-G197 PolarHBondContact O-N 3.25Å; G197-T200 PolarHBondContact O-OG1 3.43Å; G197-T200 VanDerWaalsContact O-OG1 3.05Å; G197-L201 WeakPolarHBondContact O-CB 3.36Å; G197-L201 PolarHBondContact O-N 3.19Å; G197-L201 VanDerWaalsContact O-N 3.1Å
198	M	95.1	Very high	94.3	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.091	C	C	.	.	I	π-helix	trans	-71.9	-34.7	177.6	-169	-171.8	177.8	0	0	110.9	V117 L119 G155 L163 V167 T194 L201 L202	V117-M198 HydrophobicContact CG1-CE 3.51Å; V117-M198 HydrophobicContact CG1-SD 3.7Å; L119-M198 HydrophobicContact CD1-SD 4.36Å; L119-M198 HydrophobicContact CD2-SD 4.04Å; L119-M198 HydrophobicContact CG-SD 3.99Å; G155-M198 WeakPolarHBondContact O-CA 3.1Å; G155-M198 WeakPolarHBondContact O-CB 3.24Å; G155-M198 PolarHBondContact O-N 3.27Å; L163-M198 HydrophobicContact CB-CE 3.75Å; L163-M198 HydrophobicContact CD2-CE 3.86Å; L163-M198 HydrophobicContact CD2-SD 4.31Å; L163-M198 HydrophobicContact CG-CE 3.83Å; V167-M198 HydrophobicContact CG2-CE 3.75Å; T194-M198 HydrophobicContact CG2-CB 4.42Å; T194-M198 HydrophobicContact CG2-SD 4.33Å; T194-M198 WeakPolarHBondContact O-CA 3.21Å; T194-M198 WeakPolarHBondContact O-CB 3.35Å; T194-M198 PolarHBondContact O-N 2.98Å; M198-L201 PolarHBondContact O-N 3.1Å; M198-L202 HydrophobicContact CE-CD1 4.39Å; M198-L202 HydrophobicContact CG-CD1 4.39Å; M198-L202 WeakPolarHBondContact O-CB 3.36Å; M198-L202 WeakPolarHBondContact O-CG 3.28Å; M198-L202 PolarHBondContact O-N 3.3Å
199	G	95	Very high	94.2	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-61.1	-45.6	175.8	0	0	0	0	0	112.7	T194 G195 L202 I203	T194-G199 PolarHBondContact O-N 3.06Å; G195-G199 WeakPolarHBondContact O-CA 3.38Å; G195-G199 PolarHBondContact O-N 3.21Å; G199-L202 PolarHBondContact O-N 3.43Å; G199-I203 VanDerWaalsContact O-CG1 3.31Å; G199-I203 WeakPolarHBondContact O-CG1 3.36Å; G199-I203 PolarHBondContact O-N 3.14Å
200	T	95.4	Very high	94.2	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.006	11%	0.109	C	C	.	.	H	α-helix	trans	-69.9	-35.7	176.8	55.6	0	0	0	0	112.7	H156 S196 G197 L202 I203 S204 Q242	H156-T200 PolarHBondContact ND1-OG1 3.23Å; S196-T200 WeakPolarHBondContact O-CB 3.1Å; S196-T200 VanDerWaalsContact O-CG2 3.27Å; S196-T200 WeakPolarHBondContact O-CG2 3.39Å; S196-T200 PolarHBondContact O-N 3.03Å; S196-T200 PolarHBondContact O-OG1 3.24Å; G197-T200 PolarHBondContact O-OG1 3.43Å; G197-T200 VanDerWaalsContact O-OG1 3.05Å; T200-L202 VanDerWaalsContact C-N 3.35Å; T200-I203 PolarHBondContact O-N 3.12Å; T200-S204 PolarHBondContact O-N 3.41Å; T200-Q242 HydrophobicContact CG2-CB 3.8Å; T200-Q242 HydrophobicContact CG2-CG 4.46Å
201	L	95.8	Very high	94.1	Very high	19 Å²	19	25.5 Å²	25.5	10%	0.099	13%	0.13	C	C	.	.	H	α-helix	trans	-59.7	-46.5	172.1	-178.1	67.5	0	0	0	111.2	H156 A161 V164 G197 M198 I203 S204 K205	H156-L201 WeakPolarHBondContact O-CD2 3.32Å; A161-L201 HydrophobicContact CB-CD2 4.17Å; V164-L201 HydrophobicContact CB-CD2 3.99Å; V164-L201 HydrophobicContact CG1-CD2 4.16Å; V164-L201 HydrophobicContact CG2-CD2 4.06Å; V164-L201 HydrophobicContact CG2-CG 4.19Å; G197-L201 WeakPolarHBondContact O-CB 3.36Å; G197-L201 PolarHBondContact O-N 3.19Å; G197-L201 VanDerWaalsContact O-N 3.1Å; M198-L201 PolarHBondContact O-N 3.1Å; L201-I203 VanDerWaalsContact C-N 3.33Å; L201-I203 PolarHBondContact O-N 3.26Å; L201-S204 PolarHBondContact O-N 2.98Å; L201-K205 WeakPolarHBondContact O-CG 3.42Å; L201-K205 PolarHBondContact O-N 3.2Å
202	L	95.9	Very high	94.2	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.01	16%	0.162	C	C	.	.	H	α-helix	trans	-60	-43.1	176.5	-80.2	168.3	0	0	0	111.8	V117 V164 V167 M198 G199 T200 K205 I206	V117-L202 HydrophobicContact CG1-CD1 4.48Å; V164-L202 HydrophobicContact CG2-CD2 3.48Å; V164-L202 VanDerWaalsContact CG2-CD2 3.48Å; V164-L202 HydrophobicContact CG2-CG 3.99Å; V167-L202 HydrophobicContact CB-CD2 3.84Å; V167-L202 HydrophobicContact CG1-CD1 4.14Å; V167-L202 HydrophobicContact CG1-CD2 3.57Å; M198-L202 HydrophobicContact CE-CD1 4.39Å; M198-L202 HydrophobicContact CG-CD1 4.39Å; M198-L202 WeakPolarHBondContact O-CB 3.36Å; M198-L202 WeakPolarHBondContact O-CG 3.28Å; M198-L202 PolarHBondContact O-N 3.3Å; G199-L202 PolarHBondContact O-N 3.43Å; T200-L202 VanDerWaalsContact C-N 3.35Å; L202-K205 PolarHBondContact O-N 3.42Å; L202-I206 WeakPolarHBondContact O-CB 3.47Å; L202-I206 WeakPolarHBondContact O-CG1 3.26Å; L202-I206 PolarHBondContact O-N 3.17Å
203	I	96.3	Very high	94.2	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.015	17%	0.172	C	C	.	.	H	α-helix	trans	-58.7	-49.8	176.8	-71.5	162.2	0	0	0	110.6	L186 G199 T200 L201 K205 I206 R207 M215 T217 L243 N246 T247	L186-I203 HydrophobicContact CD2-CD1 3.47Å; L186-I203 VanDerWaalsContact CD2-CD1 3.47Å; L186-I203 HydrophobicContact CD2-CG1 3.69Å; G199-I203 VanDerWaalsContact O-CG1 3.31Å; G199-I203 WeakPolarHBondContact O-CG1 3.36Å; G199-I203 PolarHBondContact O-N 3.14Å; T200-I203 PolarHBondContact O-N 3.12Å; L201-I203 VanDerWaalsContact C-N 3.33Å; L201-I203 PolarHBondContact O-N 3.26Å; I203-K205 PolarHBondContact O-N 3.05Å; I203-I206 PolarHBondContact O-N 3.44Å; I203-R207 WeakPolarHBondContact O-CB 3.3Å; I203-R207 PolarHBondContact O-N 3.04Å; I203-M215 HydrophobicContact CG1-SD 4.21Å; I203-M215 HydrophobicContact CG2-CG 4.02Å; I203-T217 HydrophobicContact CD1-CG2 3.81Å; I203-L243 HydrophobicContact CD1-CD2 3.69Å; I203-N246 HydrophobicContact CG2-CB 3.52Å; I203-T247 HydrophobicContact CD1-CG2 4.12Å; I203-T247 HydrophobicContact CG2-CG2 3.87Å
204	S	95.2	Very high	94.3	Very high	26 Å²	26	35.4 Å²	35.4	18%	0.182	17%	0.172	C	C	.	.	H	α-helix	trans	-59.1	-46.7	179.9	176.7	0	0	0	0	111.2	T200 L201 I206 R207 E208	T200-S204 PolarHBondContact O-N 3.41Å; L201-S204 PolarHBondContact O-N 2.98Å; S204-I206 PolarHBondContact O-N 3.16Å; S204-R207 PolarHBondContact O-N 2.84Å; S204-R207 VanDerWaalsContact O-N 3.16Å; S204-E208 WeakPolarHBondContact O-CG 3.36Å; S204-E208 PolarHBondContact O-N 2.96Å
205	K	95.6	Very high	94.3	Very high	70 Å²	70	35 Å²	35	30%	0.304	17%	0.169	S	C	.	.	H	α-helix	trans	-65.8	-38.3	177.9	-66.9	-61.7	171.4	-152	0	114.1	L168 L201 L202 I203 R207 E208 E209	L168-K205 HydrophobicContact CD1-CB 3.84Å; L168-K205 HydrophobicContact CD1-CG 4.26Å; L168-K205 HydrophobicContact CD2-CB 4.1Å; L201-K205 WeakPolarHBondContact O-CG 3.42Å; L201-K205 PolarHBondContact O-N 3.2Å; L202-K205 PolarHBondContact O-N 3.42Å; I203-K205 PolarHBondContact O-N 3.05Å; K205-R207 VanDerWaalsContact C-N 3.31Å; K205-E208 WeakPolarHBondContact CD-OE2 3.48Å; K205-E208 VanDerWaalsContact NZ-CD 3.3Å; K205-E208 IonicContact NZ-OE1 2.66Å; K205-E208 PolarHBondContact NZ-OE1 3.35Å; K205-E208 IonicContact NZ-OE2 3.18Å; K205-E208 PolarHBondContact NZ-OE2 3.04Å; K205-E208 PolarHBondContact O-N 3.42Å; K205-E209 PolarHBondContact O-N 3.05Å; K205-E209 VanDerWaalsContact O-N 3.1Å
206	I	95.6	Very high	94.4	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.015	17%	0.17	C	C	.	.	H	α-helix	trans	-67.4	-35.8	174.1	-69.5	167.3	0	0	0	110.6	I58 L168 V171 F184 L202 I203 S204 E209 Y210 M215	I58-I206 HydrophobicContact CD1-CD1 3.45Å; I58-I206 VanDerWaalsContact CD1-CD1 3.45Å; L168-I206 HydrophobicContact CD2-CG1 3.96Å; V171-I206 HydrophobicContact CG1-CD1 4.42Å; V171-I206 HydrophobicContact CG1-CG1 4.45Å; V171-I206 HydrophobicContact CG2-CD1 4.48Å; F184-I206 HydrophobicContact CD1-CG2 4.3Å; F184-I206 HydrophobicContact CD2-CG2 3.31Å; F184-I206 HydrophobicContact CE1-CG2 4.31Å; F184-I206 HydrophobicContact CE2-CG2 3.29Å; F184-I206 HydrophobicContact CG-CG2 3.83Å; F184-I206 HydrophobicContact CZ-CG2 3.82Å; L202-I206 WeakPolarHBondContact O-CB 3.47Å; L202-I206 WeakPolarHBondContact O-CG1 3.26Å; L202-I206 PolarHBondContact O-N 3.17Å; I203-I206 PolarHBondContact O-N 3.44Å; S204-I206 PolarHBondContact O-N 3.16Å; I206-E209 PolarHBondContact O-N 3.08Å; I206-Y210 HydrophobicContact CG2-CD2 4.12Å; I206-Y210 WeakPolarHBondContact O-CA 3.39Å; I206-Y210 WeakPolarHBondContact O-CB 3.38Å; I206-Y210 PolarHBondContact O-N 3.41Å; I206-M215 HydrophobicContact CB-CE 3.76Å; I206-M215 HydrophobicContact CD1-CE 4.33Å; I206-M215 HydrophobicContact CG2-CE 3.37Å
207	R	93.8	Very high	94.5	Very high	65 Å²	65	35.2 Å²	35.2	25%	0.245	17%	0.17	C	C	.	.	H	α-helix	trans	-68.8	-35.7	176.7	-168.3	59.7	167.8	-156.8	-13.4	112.3	I203 S204 K205 P211 R213 D248	I203-R207 WeakPolarHBondContact O-CB 3.3Å; I203-R207 PolarHBondContact O-N 3.04Å; S204-R207 PolarHBondContact O-N 2.84Å; S204-R207 VanDerWaalsContact O-N 3.16Å; K205-R207 VanDerWaalsContact C-N 3.31Å; R207-P211 WeakPolarHBondContact O-CA 3.38Å; R207-R213 PolarHBondContact NH1-O 3.27Å; R207-R213 VanDerWaalsContact NH1-O 3.14Å; R207-D248 IonicContact CZ-OD1 2.92Å; R207-D248 IonicContact CZ-OD2 3.56Å; R207-D248 IonicContact NH1-OD1 3.41Å; R207-D248 PolarHBondContact NH1-OD1 2.96Å; R207-D248 IonicContact NH1-OD2 3.78Å; R207-D248 PolarHBondContact NH1-OD2 3.24Å; R207-D248 IonicContact NH2-OD1 3.06Å; R207-D248 PolarHBondContact NH2-OD1 3.15Å; R207-D248 IonicContact NH2-OD2 3.87Å
208	E	94.4	Very high	94.6	Very high	124 Å²	124	35.5 Å²	35.5	58%	0.579	17%	0.171	S	C	*	.	H	α-helix	trans	-61.9	-44.6	171.3	-72.4	174.2	-162.3	0	0	111.7	S204 K205	S204-E208 WeakPolarHBondContact O-CG 3.36Å; S204-E208 PolarHBondContact O-N 2.96Å; K205-E208 WeakPolarHBondContact CD-OE2 3.48Å; K205-E208 VanDerWaalsContact NZ-CD 3.3Å; K205-E208 IonicContact NZ-OE1 2.66Å; K205-E208 PolarHBondContact NZ-OE1 3.35Å; K205-E208 IonicContact NZ-OE2 3.18Å; K205-E208 PolarHBondContact NZ-OE2 3.04Å; K205-E208 PolarHBondContact O-N 3.42Å
209	E	94.8	Very high	94.7	Very high	69 Å²	69	35.5 Å²	35.5	32%	0.322	17%	0.171	S	C	.	.	H	α-helix	trans	-83.2	-33.1	-175.4	-167.5	174.7	153.4	0	0	113.5	R172 K205 I206 P211	R172-E209 WeakPolarHBondContact CD-OE1 3.49Å; R172-E209 WeakPolarHBondContact CG-OE1 3.32Å; R172-E209 IonicContact CZ-OE1 2.75Å; R172-E209 IonicContact CZ-OE2 3.25Å; R172-E209 VanDerWaalsContact CZ-OE2 3.29Å; R172-E209 VanDerWaalsContact NE-CD 3.33Å; R172-E209 IonicContact NE-OE1 3.3Å; R172-E209 PolarHBondContact NE-OE1 3.08Å; R172-E209 IonicContact NE-OE2 3.5Å; R172-E209 PolarHBondContact NE-OE2 2.89Å; R172-E209 IonicContact NH2-OE1 4Å; R172-E209 IonicContact NH2-OE2 3.88Å; R172-E209 PolarHBondContact NH2-OE2 3.1Å; K205-E209 PolarHBondContact O-N 3.05Å; K205-E209 VanDerWaalsContact O-N 3.1Å; I206-E209 PolarHBondContact O-N 3.08Å; E209-P211 VanDerWaalsContact C-CD 3.45Å; E209-P211 WeakPolarHBondContact O-CD 3.42Å
210	Y	94.5	Very high	94.7	Very high	45 Å²	45	35.7 Å²	35.7	18%	0.176	17%	0.172	C	C	.	.			trans	-127.4	61.9	-176	-57.8	-85.3	0	0	0	112.1	F184 I206 D212 R213	F184-Y210 AromaticContact CE2-CD2 3.95Å; F184-Y210 HydrophobicContact CE2-CD2 3.95Å; F184-Y210 AromaticContact CE2-CG 3.85Å; F184-Y210 HydrophobicContact CE2-CG 3.85Å; F184-Y210 HydrophobicContact CZ-CD1 4.36Å; F184-Y210 AromaticContact CZ-CD2 3.74Å; F184-Y210 HydrophobicContact CZ-CD2 3.74Å; F184-Y210 HydrophobicContact CZ-CE2 4.11Å; F184-Y210 AromaticContact CZ-CG 3.9Å; F184-Y210 HydrophobicContact CZ-CG 3.9Å; I206-Y210 HydrophobicContact CG2-CD2 4.12Å; I206-Y210 WeakPolarHBondContact O-CA 3.39Å; I206-Y210 WeakPolarHBondContact O-CB 3.38Å; I206-Y210 PolarHBondContact O-N 3.41Å; Y210-D212 VanDerWaalsContact C-N 3.27Å; Y210-D212 PolarHBondContact O-N 3.47Å; Y210-R213 HydrophobicContact CD1-CG 4.4Å; Y210-R213 PolarHBondContact O-N 2.89Å
211	P	92.6	Very high	94.5	Very high	74 Å²	74	35.7 Å²	35.7	48%	0.481	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-29.8	-175.1	25.8	-35.5	0	0	0	113.6	R207 E209 R213	R207-P211 WeakPolarHBondContact O-CA 3.38Å; E209-P211 VanDerWaalsContact C-CD 3.45Å; E209-P211 WeakPolarHBondContact O-CD 3.42Å; P211-R213 VanDerWaalsContact C-N 3.27Å; P211-R213 PolarHBondContact O-N 3.04Å
212	D	89.9	Confident	94.1	Very high	131 Å²	131	35.4 Å²	35.4	70%	0.701	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.2	2.4	-178.9	-65.3	-38.3	0	0	0	113.7	Y210 R302	Y210-D212 VanDerWaalsContact C-N 3.27Å; Y210-D212 PolarHBondContact O-N 3.47Å; D212-R302 PolarHBondContact O-NH2 3.36Å
213	R	92.4	Very high	93.4	Very high	92 Å²	92	35.4 Å²	35.4	35%	0.347	17%	0.171	S	C	.	.	S	Bend	trans	-106	145.4	-176.5	-56.3	-58.4	178.2	-175.4	-7.3	110.9	L181 F184 R207 Y210 P211	L181-R213 HydrophobicContact CD2-CG 4.35Å; L181-R213 WeakPolarHBondContact O-CD 3.3Å; L181-R213 PolarHBondContact O-NH1 2.94Å; F184-R213 HydrophobicContact CE2-CB 4.21Å; R207-R213 PolarHBondContact NH1-O 3.27Å; R207-R213 VanDerWaalsContact NH1-O 3.14Å; Y210-R213 HydrophobicContact CD1-CG 4.4Å; Y210-R213 PolarHBondContact O-N 2.89Å; P211-R213 VanDerWaalsContact C-N 3.27Å; P211-R213 PolarHBondContact O-N 3.04Å
214	I	92.4	Very high	92.3	Very high	6 Å²	6	39 Å²	39	3%	0.031	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	132.8	-179.6	-66.2	-65.1	0	0	0	109.8	Q182 G183 F184 N216 D248 L301 R302 A305	Q182-I214 PolarHBondContact O-N 3.48Å; G183-I214 CarbonylContact C-O 3.59Å; G183-I214 WeakPolarHBondContact CA-O 3.2Å; F184-I214 PolarHBondContact N-O 2.92Å; I214-N216 WeakPolarHBondContact CG2-OD1 3.45Å; I214-D248 VanDerWaalsContact CA-OD2 3.32Å; I214-D248 WeakPolarHBondContact CA-OD2 3.41Å; I214-D248 HydrophobicContact CD1-CB 4.29Å; I214-D248 HydrophobicContact CG2-CB 4.32Å; I214-L301 HydrophobicContact CB-CB 4.45Å; I214-L301 HydrophobicContact CG2-CB 4.19Å; I214-R302 HydrophobicContact CD1-CB 4.36Å; I214-R302 HydrophobicContact CD1-CG 4.47Å; I214-R302 HydrophobicContact CG1-CB 4.15Å; I214-A305 HydrophobicContact CD1-CB 4.45Å
215	M	94.9	Very high	91.3	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.02	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	111.3	174.7	179.6	59.2	68.8	0	0	110.5	F184 I203 I206 T247 D248 E249	F184-M215 HydrophobicContact CB-CE 3.79Å; F184-M215 HydrophobicContact CB-SD 3.93Å; F184-M215 HydrophobicContact CD2-CE 4.07Å; F184-M215 HydrophobicContact CG-CE 4.18Å; I203-M215 HydrophobicContact CG1-SD 4.21Å; I203-M215 HydrophobicContact CG2-CG 4.02Å; I206-M215 HydrophobicContact CB-CE 3.76Å; I206-M215 HydrophobicContact CD1-CE 4.33Å; I206-M215 HydrophobicContact CG2-CE 3.37Å; M215-T247 HydrophobicContact CG-CG2 4Å; M215-D248 PolarHBondContact N-OD2 3.45Å; M215-D248 PolarHBondContact O-N 3.08Å; M215-E249 PolarHBondContact O-N 2.71Å
216	N	94.5	Very high	90.2	Very high	6 Å²	6	40.3 Å²	40.3	3%	0.032	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	137	179.3	-77.3	15.7	0	0	0	111.1	F184 Q185 L186 I214 E249 L301	F184-N216 PolarHBondContact O-N 2.84Å; Q185-N216 CarbonylContact C-O 3.54Å; Q185-N216 WeakPolarHBondContact CA-O 3.42Å; L186-N216 PolarHBondContact N-O 2.9Å; I214-N216 WeakPolarHBondContact CG2-OD1 3.45Å; N216-E249 CarbonylContact C-O 3.58Å; N216-E249 WeakPolarHBondContact CA-O 3.33Å; N216-E249 PolarHBondContact ND2-OE2 2.99Å; N216-E249 WeakPolarHBondContact OD1-CB 3.1Å; N216-L301 WeakPolarHBondContact ND2-CD2 3.41Å
217	T	96.6	Very high	89.1	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	139.9	176.7	80.9	0	0	0	0	112.6	L186 I203 S219 L243 T247 E249 T250 Y251	L186-T217 HydrophobicContact CB-CG2 4.25Å; L186-T217 CarbonylContact O-C 3.49Å; L186-T217 WeakPolarHBondContact O-CA 3.4Å; I203-T217 HydrophobicContact CD1-CG2 3.81Å; T217-S219 PolarHBondContact OG1-OG 3.44Å; T217-L243 HydrophobicContact CG2-CD2 4.05Å; T217-T247 HydrophobicContact CG2-CG2 3.55Å; T217-E249 PolarHBondContact N-O 3.37Å; T217-T250 WeakPolarHBondContact OG1-CG2 3.35Å; T217-T250 PolarHBondContact OG1-OG1 3.27Å; T217-Y251 WeakPolarHBondContact O-CD2 3.46Å; T217-Y251 PolarHBondContact O-N 3.24Å
218	F	96.8	Very high	88	Confident	5 Å²	5	46 Å²	46	2%	0.022	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	100.3	165.2	-70.6	-87	0	0	0	106.9	Q185 L186 T187 H188 Y251 I253 M284 V287	Q185-F218 HydrophobicContact CG-CD2 3.81Å; Q185-F218 HydrophobicContact CG-CE2 3.66Å; L186-F218 PolarHBondContact O-N 3.5Å; T187-F218 HydrophobicContact CG2-CB 3.9Å; T187-F218 HydrophobicContact CG2-CD2 4.34Å; T187-F218 HydrophobicContact CG2-CG 4.42Å; H188-F218 PolarHBondContact N-O 2.83Å; H188-F218 VanDerWaalsContact N-O 3.15Å; F218-Y251 HydrophobicContact CD1-CD2 4.08Å; F218-Y251 AromaticContact CD1-CG 3.97Å; F218-Y251 HydrophobicContact CD1-CG 3.97Å; F218-Y251 HydrophobicContact CE1-CD1 4.25Å; F218-Y251 AromaticContact CE1-CD2 3.69Å; F218-Y251 HydrophobicContact CE1-CD2 3.69Å; F218-Y251 HydrophobicContact CE1-CE2 4.37Å; F218-Y251 AromaticContact CE1-CG 3.65Å; F218-Y251 HydrophobicContact CE1-CG 3.65Å; F218-Y251 HydrophobicContact CE2-CD2 4.19Å; F218-Y251 AromaticContact CZ-CD2 3.77Å; F218-Y251 HydrophobicContact CZ-CD2 3.77Å; F218-Y251 HydrophobicContact CZ-CE2 4.08Å; F218-Y251 HydrophobicContact CZ-CG 4.19Å; F218-I253 HydrophobicContact CB-CD1 4.14Å; F218-I253 HydrophobicContact CD1-CD1 4.1Å; F218-M284 HydrophobicContact CD1-CG 3.64Å; F218-M284 HydrophobicContact CD2-CE 4.13Å; F218-M284 HydrophobicContact CE1-CB 4.39Å; F218-M284 HydrophobicContact CE1-CG 3.71Å; F218-M284 HydrophobicContact CG-CE 4.24Å; F218-M284 HydrophobicContact CG-CG 4.07Å; F218-M284 HydrophobicContact CG-SD 4.42Å; F218-M284 HydrophobicContact CZ-CG 4.23Å; F218-V287 HydrophobicContact CZ-CB 4.4Å; F218-V287 HydrophobicContact CZ-CG1 4.13Å
219	S	95.9	Very high	87.5	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	111.9	-168	-70.3	0	0	0	0	110.2	H188 T217 V221 Y251 I253	H188-S219 PolarHBondContact CD2-OG 3.1Å; H188-S219 PolarHBondContact NE2-OG 2.96Å; T217-S219 PolarHBondContact OG1-OG 3.44Å; S219-V221 PolarHBondContact O-N 2.92Å; S219-Y251 PolarHBondContact N-O 2.83Å; S219-I253 PolarHBondContact O-N 3.01Å
220	V	94.4	Very high	87.1	Confident	4 Å²	4	42.9 Å²	42.9	2%	0.024	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	115.9	175.3	-175.3	0	0	0	0	110	I67 H188 L190 I253 N255	I67-V220 HydrophobicContact CD1-CG2 3.38Å; H188-V220 PolarHBondContact O-N 3.2Å; L190-V220 PolarHBondContact N-O 3.43Å; V220-I253 CarbonylContact C-O 3.48Å; V220-I253 VanDerWaalsContact CA-O 3.27Å; V220-I253 WeakPolarHBondContact CA-O 3.42Å; V220-I253 HydrophobicContact CG2-CB 4.33Å; V220-I253 HydrophobicContact CG2-CG2 4.27Å; V220-N255 WeakPolarHBondContact CG1-OD1 3.44Å
221	V	91.5	Very high	87.1	Confident	1 Å²	1	41 Å²	41	1%	0.006	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	132.1	178.9	-176.7	0	0	0	0	109	L190 S219 I253 N255 L428 I432	L190-V221 HydrophobicContact CD1-CG2 4.22Å; S219-V221 PolarHBondContact O-N 2.92Å; V221-I253 PolarHBondContact N-O 3.21Å; V221-N255 PolarHBondContact O-N 2.87Å; V221-L428 HydrophobicContact CB-CD1 4.34Å; V221-L428 HydrophobicContact CG1-CD1 4.2Å; V221-L428 HydrophobicContact CG1-CD2 4.03Å; V221-L428 HydrophobicContact CG1-CG 4.17Å; V221-L428 HydrophobicContact CG2-CD1 4.07Å; V221-L428 HydrophobicContact CG2-CD2 4.12Å; V221-I432 HydrophobicContact CG1-CD1 3.57Å; V221-I432 HydrophobicContact CG1-CG1 4.36Å
222	P	87.1	Confident	87	Confident	14 Å²	14	38.5 Å²	38.5	9%	0.091	21%	0.206	C	C	.	.			trans	-65.6	154.3	178.6	25.3	-33	0	0	0	112.5	E232 A236	P222-E232 HydrophobicContact CB-CB 3.7Å; P222-E232 HydrophobicContact CB-CG 4.17Å; P222-E232 WeakPolarHBondContact CB-OE2 3.33Å; P222-E232 HydrophobicContact CG-CB 3.98Å; P222-A236 HydrophobicContact CG-CB 3.87Å
223	S	81.3	Confident	87.2	Confident	1 Å²	1	32.8 Å²	32.8	1%	0.007	18%	0.176	C	C	.	.			trans	-142.9	135.5	172.3	176.3	0	0	0	0	110.9	K225 V226 S227 E256	S223-K225 PolarHBondContact O-N 3.09Å; S223-K225 VanDerWaalsContact O-N 3.1Å; S223-K225 PolarHBondContact OG-N 3.13Å; S223-V226 PolarHBondContact O-N 2.94Å; S223-S227 PolarHBondContact O-N 3.3Å; S223-S227 VanDerWaalsContact O-N 3.11Å; S223-E256 WeakPolarHBondContact OG-CB 3.24Å
224	P	74	Confident	87.3	Confident	78 Å²	78	28.4 Å²	28.4	51%	0.506	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-11.8	177	27.8	-35.6	0	0	0	113.6	V226	P224-V226 VanDerWaalsContact C-N 3.32Å
225	K	74.1	Confident	87.5	Confident	94 Å²	94	28.1 Å²	28.1	41%	0.409	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-22.1	173.3	-69	-175.8	-176.1	159.3	0	113	S223 E256 D260	S223-K225 PolarHBondContact O-N 3.09Å; S223-K225 VanDerWaalsContact O-N 3.1Å; S223-K225 PolarHBondContact OG-N 3.13Å; K225-E256 HydrophobicContact CD-CG 4.04Å; K225-E256 WeakPolarHBondContact CE-OE1 3.47Å; K225-E256 IonicContact NZ-OE1 2.71Å; K225-E256 PolarHBondContact NZ-OE1 3.18Å; K225-D260 IonicContact NZ-OD1 3.32Å; K225-D260 PolarHBondContact NZ-OD1 3.02Å; K225-D260 IonicContact NZ-OD2 3.32Å; K225-D260 PolarHBondContact NZ-OD2 2.89Å
226	V	72	Confident	87.4	Confident	31 Å²	31	27.9 Å²	27.9	19%	0.188	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-29.8	-169.5	178.2	0	0	0	0	111.9	S223 P224 N255 Y259 Y273 L276	S223-V226 PolarHBondContact O-N 2.94Å; P224-V226 VanDerWaalsContact C-N 3.32Å; V226-N255 HydrophobicContact CB-CB 4.09Å; V226-N255 HydrophobicContact CG1-CB 4.24Å; V226-N255 HydrophobicContact CG2-CB 3.96Å; V226-Y259 HydrophobicContact CG2-CD2 4.23Å; V226-Y259 HydrophobicContact CG2-CG 4.37Å; V226-Y273 HydrophobicContact CG1-CE1 3.72Å; V226-Y273 WeakPolarHBondContact CG1-OH 3.34Å; V226-Y273 PolarHBondContact O-OH 3.34Å; V226-L276 HydrophobicContact CG1-CD2 4.43Å
227	S	72.9	Confident	87.5	Confident	25 Å²	25	27.7 Å²	27.7	18%	0.175	16%	0.156	C	C	.	.			trans	-127.6	140.4	179.1	-176.4	0	0	0	0	112.1	S223 T229 E232	S223-S227 PolarHBondContact O-N 3.3Å; S223-S227 VanDerWaalsContact O-N 3.11Å; S227-T229 VanDerWaalsContact C-N 3.33Å; S227-T229 PolarHBondContact OG-N 3.1Å; S227-T229 PolarHBondContact OG-OG1 3.02Å; S227-E232 WeakPolarHBondContact CB-OE1 3.46Å; S227-E232 PolarHBondContact OG-OE1 2.85Å
228	D	71.5	Confident	87.5	Confident	163 Å²	163	27.9 Å²	27.9	87%	0.872	16%	0.157	S	C	*	.			trans	-88.8	0.7	176.4	-65.6	-42.8	0	0	0	112.6	V230	D228-V230 PolarHBondContact O-N 2.86Å
229	T	83.8	Confident	87.4	Confident	44 Å²	44	27.7 Å²	27.7	27%	0.27	16%	0.156	S	C	.	.			trans	-75	115.2	-176.2	-59	0	0	0	0	110.5	N150 S227 V231 E232	N150-T229 HydrophobicContact CB-CG2 4.07Å; S227-T229 VanDerWaalsContact C-N 3.33Å; S227-T229 PolarHBondContact OG-N 3.1Å; S227-T229 PolarHBondContact OG-OG1 3.02Å; T229-V231 VanDerWaalsContact C-N 3.31Å; T229-V231 HydrophobicContact CG2-CG2 3.66Å; T229-V231 PolarHBondContact O-N 2.83Å; T229-E232 HydrophobicContact CG2-CG 3.93Å; T229-E232 WeakPolarHBondContact O-CG 3.11Å
230	V	87	Confident	87.4	Confident	83 Å²	83	27.8 Å²	27.8	50%	0.503	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-22	-175.4	-61.6	0	0	0	0	114	D228 P233 M439 F445	D228-V230 PolarHBondContact O-N 2.86Å; V230-P233 WeakPolarHBondContact O-CD 3.33Å; V230-M439 WeakPolarHBondContact O-CE 3.48Å; V230-M439 VanDerWaalsContact O-SD 3.33Å; V230-F445 HydrophobicContact CG2-CD2 4.07Å; V230-F445 HydrophobicContact CG2-CE2 3.54Å; V230-F445 HydrophobicContact CG2-CZ 3.94Å
231	V	92.4	Very high	87.4	Confident	4 Å²	4	29.3 Å²	29.3	2%	0.024	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-1.5	-175.3	-62	0	0	0	0	114.9	N150 T229 P233 Y234 N235 F445	N150-V231 HydrophobicContact CB-CG2 4.3Å; N150-V231 WeakPolarHBondContact O-CG2 3.28Å; T229-V231 VanDerWaalsContact C-N 3.31Å; T229-V231 HydrophobicContact CG2-CG2 3.66Å; T229-V231 PolarHBondContact O-N 2.83Å; V231-P233 VanDerWaalsContact C-CD 3.4Å; V231-P233 VanDerWaalsContact C-N 3.33Å; V231-Y234 WeakPolarHBondContact O-CB 3.14Å; V231-Y234 PolarHBondContact O-N 2.82Å; V231-N235 PolarHBondContact O-N 2.77Å; V231-F445 HydrophobicContact CG1-CB 3.82Å; V231-F445 HydrophobicContact CG1-CD2 4.1Å; V231-F445 HydrophobicContact CG1-CG 3.92Å
232	E	92	Very high	87.6	Confident	22 Å²	22	30.8 Å²	30.8	10%	0.103	17%	0.171	C	C	.	.	H	α-helix	trans	-55.7	-37.1	-179.8	-64.8	-177.5	160.8	0	0	114.7	P222 S227 T229 Y234 N235 A236	P222-E232 HydrophobicContact CB-CB 3.7Å; P222-E232 HydrophobicContact CB-CG 4.17Å; P222-E232 WeakPolarHBondContact CB-OE2 3.33Å; P222-E232 HydrophobicContact CG-CB 3.98Å; S227-E232 WeakPolarHBondContact CB-OE1 3.46Å; S227-E232 PolarHBondContact OG-OE1 2.85Å; T229-E232 HydrophobicContact CG2-CG 3.93Å; T229-E232 WeakPolarHBondContact O-CG 3.11Å; E232-Y234 VanDerWaalsContact C-N 3.29Å; E232-Y234 PolarHBondContact O-N 3.5Å; E232-N235 PolarHBondContact O-N 3.16Å; E232-A236 WeakPolarHBondContact O-CB 3.42Å; E232-A236 PolarHBondContact O-N 2.81Å
233	P	93.8	Very high	88	Confident	11 Å²	11	30.1 Å²	30.1	7%	0.071	17%	0.166	C	C	.	.	H	α-helix	trans	-61	-35.3	176.1	-24.9	35.7	0	0	0	113.2	V230 V231 T237 Q435 F436	V230-P233 WeakPolarHBondContact O-CD 3.33Å; V231-P233 VanDerWaalsContact C-CD 3.4Å; V231-P233 VanDerWaalsContact C-N 3.33Å; P233-T237 WeakPolarHBondContact O-CB 3.47Å; P233-T237 PolarHBondContact O-N 2.92Å; P233-T237 PolarHBondContact O-OG1 2.84Å; P233-Q435 HydrophobicContact CB-CB 3.94Å; P233-Q435 HydrophobicContact CG-CB 3.72Å; P233-F436 HydrophobicContact CB-CB 4.31Å
234	Y	95.1	Very high	88.6	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-64.4	-52	175	-74.5	-51.4	0	0	0	111.1	V231 E232 A236 T237 L238 F436 M439 F440 A444 Y449 F459	V231-Y234 WeakPolarHBondContact O-CB 3.14Å; V231-Y234 PolarHBondContact O-N 2.82Å; E232-Y234 VanDerWaalsContact C-N 3.29Å; E232-Y234 PolarHBondContact O-N 3.5Å; Y234-A236 VanDerWaalsContact C-N 3.27Å; Y234-A236 PolarHBondContact O-N 3.14Å; Y234-T237 PolarHBondContact O-N 3.49Å; Y234-L238 VanDerWaalsContact O-CG 3.31Å; Y234-L238 WeakPolarHBondContact O-CG 3.24Å; Y234-L238 PolarHBondContact O-N 3.42Å; Y234-L238 VanDerWaalsContact O-N 3.08Å; Y234-F436 AromaticContact CD1-CD2 3.56Å; Y234-F436 HydrophobicContact CD1-CD2 3.56Å; Y234-F436 AromaticContact CD1-CE2 3.4Å; Y234-F436 HydrophobicContact CD1-CE2 3.4Å; Y234-F436 HydrophobicContact CD1-CZ 4.19Å; Y234-F436 HydrophobicContact CE1-CD2 4.05Å; Y234-F436 AromaticContact CE1-CE2 3.87Å; Y234-F436 HydrophobicContact CE1-CE2 3.87Å; Y234-F436 HydrophobicContact CE1-CZ 4.26Å; Y234-M439 HydrophobicContact CD2-CE 3.44Å; Y234-M439 VanDerWaalsContact CD2-CE 3.44Å; Y234-M439 HydrophobicContact CE2-CB 4.05Å; Y234-M439 HydrophobicContact CE2-CE 3.37Å; Y234-M439 HydrophobicContact CE2-SD 4.45Å; Y234-M439 HydrophobicContact CG-CE 4.26Å; Y234-M439 PolarHBondContact OH-O 2.79Å; Y234-F440 HydrophobicContact CE1-CB 4.04Å; Y234-F440 HydrophobicContact CE1-CD2 4.11Å; Y234-F440 WeakPolarHBondContact OH-CA 3.31Å; Y234-F440 PolarHBondContact OH-N 3.32Å; Y234-F440 VanDerWaalsContact OH-N 3.08Å; Y234-A444 VanDerWaalsContact CE2-O 3.31Å; Y234-A444 WeakPolarHBondContact CE2-O 3.38Å; Y234-A444 PolarHBondContact OH-O 3.47Å; Y234-Y449 WeakPolarHBondContact CB-OH 3.47Å; Y234-Y449 HydrophobicContact CD2-CE2 4.06Å; Y234-Y449 HydrophobicContact CG-CE2 4.42Å; Y234-F459 AromaticContact CD1-CD1 3.73Å; Y234-F459 HydrophobicContact CD1-CD1 3.73Å; Y234-F459 AromaticContact CD1-CE1 3.55Å; Y234-F459 HydrophobicContact CD1-CE1 3.55Å; Y234-F459 HydrophobicContact CE1-CD1 4Å; Y234-F459 HydrophobicContact CE1-CE1 4.07Å; Y234-F459 HydrophobicContact CG-CE1 4.03Å
235	N	95.1	Very high	89.4	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-59	-41.3	180	-61.4	-27.6	0	0	0	111.2	N150 W152 L190 G191 G192 V231 E232 S239 Y449	N150-N235 PolarHBondContact O-ND2 2.87Å; W152-N235 HydrophobicContact CB-CB 4.17Å; W152-N235 WeakPolarHBondContact CB-OD1 3.37Å; W152-N235 PolarHBondContact N-OD1 2.61Å; L190-N235 CarbonylContact O-C 3.59Å; L190-N235 VanDerWaalsContact O-CB 3.32Å; L190-N235 WeakPolarHBondContact O-CB 3.19Å; G191-N235 PolarHBondContact O-ND2 3.37Å; G192-N235 WeakPolarHBondContact O-CB 3.32Å; G192-N235 VanDerWaalsContact O-CG 3.23Å; G192-N235 PolarHBondContact O-ND2 2.96Å; V231-N235 PolarHBondContact O-N 2.77Å; E232-N235 PolarHBondContact O-N 3.16Å; N235-S239 VanDerWaalsContact O-CB 3.28Å; N235-S239 WeakPolarHBondContact O-CB 3.49Å; N235-S239 PolarHBondContact O-N 2.8Å; N235-S239 PolarHBondContact O-OG 3.3Å; N235-Y449 WeakPolarHBondContact OD1-CE1 3.36Å; N235-Y449 PolarHBondContact OD1-OH 3.3Å
236	A	94.7	Very high	90.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-68.5	-46.3	-179.7	0	0	0	0	0	112.5	L190 P222 E232 Y234 S239 V240 I432	L190-A236 HydrophobicContact CB-CB 4.16Å; L190-A236 WeakPolarHBondContact O-CA 3.48Å; L190-A236 PolarHBondContact O-N 2.7Å; P222-A236 HydrophobicContact CG-CB 3.87Å; E232-A236 WeakPolarHBondContact O-CB 3.42Å; E232-A236 PolarHBondContact O-N 2.81Å; Y234-A236 VanDerWaalsContact C-N 3.27Å; Y234-A236 PolarHBondContact O-N 3.14Å; A236-S239 PolarHBondContact O-N 2.99Å; A236-V240 WeakPolarHBondContact O-CG2 3.48Å; A236-V240 PolarHBondContact O-N 2.9Å; A236-I432 HydrophobicContact CB-CD1 4.49Å; A236-I432 HydrophobicContact CB-CG2 3.99Å
237	T	95.4	Very high	91.5	Very high	1 Å²	1	28 Å²	28	1%	0.006	15%	0.151	C	C	.	.	H	α-helix	trans	-61.5	-46.5	178.7	-61.9	0	0	0	0	111.7	P233 Y234 S239 V240 H241 F436 A462 M466	P233-T237 WeakPolarHBondContact O-CB 3.47Å; P233-T237 PolarHBondContact O-N 2.92Å; P233-T237 PolarHBondContact O-OG1 2.84Å; Y234-T237 PolarHBondContact O-N 3.49Å; T237-S239 VanDerWaalsContact C-N 3.29Å; T237-S239 PolarHBondContact O-N 2.93Å; T237-V240 PolarHBondContact O-N 3.48Å; T237-H241 PolarHBondContact O-N 3.32Å; T237-H241 VanDerWaalsContact O-N 3.13Å; T237-F436 VanDerWaalsContact CB-CD2 3.49Å; T237-F436 HydrophobicContact CG2-CD2 3.83Å; T237-F436 HydrophobicContact CG2-CE2 3.78Å; T237-F436 HydrophobicContact CG2-CG 4.27Å; T237-F436 HydrophobicContact CG2-CZ 4.27Å; T237-F436 VanDerWaalsContact OG1-CD2 3.28Å; T237-F436 WeakPolarHBondContact OG1-CD2 3.31Å; T237-A462 HydrophobicContact CG2-CB 4.06Å; T237-M466 HydrophobicContact CG2-CE 4.2Å
238	L	95.9	Very high	92.5	Very high	5 Å²	5	28.5 Å²	28.5	3%	0.026	15%	0.151	C	C	.	.	H	α-helix	trans	-61.7	-38.8	176.6	-66.7	169.2	0	0	0	111.7	W152 Y234 Q242 Y449 M454 F459 A462	W152-L238 HydrophobicContact CB-CD1 4.28Å; W152-L238 HydrophobicContact CD2-CB 3.83Å; W152-L238 HydrophobicContact CD2-CD1 3.91Å; W152-L238 HydrophobicContact CD2-CG 4.5Å; W152-L238 HydrophobicContact CE3-CB 4.21Å; W152-L238 HydrophobicContact CE3-CD1 3.72Å; W152-L238 HydrophobicContact CE3-CG 4.48Å; W152-L238 HydrophobicContact CG-CB 4.18Å; W152-L238 HydrophobicContact CG-CD1 4.16Å; W152-L238 HydrophobicContact CH2-CB 4.5Å; W152-L238 HydrophobicContact CZ2-CB 4.14Å; W152-L238 HydrophobicContact CZ3-CD1 4.35Å; Y234-L238 VanDerWaalsContact O-CG 3.31Å; Y234-L238 WeakPolarHBondContact O-CG 3.24Å; Y234-L238 PolarHBondContact O-N 3.42Å; Y234-L238 VanDerWaalsContact O-N 3.08Å; L238-Q242 PolarHBondContact O-N 2.82Å; L238-Y449 HydrophobicContact CD1-CD1 4.33Å; L238-Y449 HydrophobicContact CD1-CE1 4.3Å; L238-M454 HydrophobicContact CD1-CE 3.86Å; L238-M454 HydrophobicContact CD1-SD 4.37Å; L238-M454 HydrophobicContact CD2-CE 3.78Å; L238-M454 HydrophobicContact CG-CE 4.47Å; L238-F459 HydrophobicContact CD1-CE1 3.94Å; L238-F459 HydrophobicContact CD1-CZ 4.05Å; L238-A462 HydrophobicContact CD2-CB 3.88Å
239	S	95.8	Very high	93.6	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-70.9	-43.2	179.6	-57.8	0	0	0	0	113	W152 S196 N235 A236 T237 H241 Q242 L243	W152-S239 VanDerWaalsContact CD1-OG 3.26Å; W152-S239 PolarHBondContact NE1-OG 2.85Å; W152-S239 VanDerWaalsContact NE1-OG 3.13Å; S196-S239 VanDerWaalsContact CB-OG 3.27Å; S196-S239 WeakPolarHBondContact CB-OG 3.49Å; N235-S239 VanDerWaalsContact O-CB 3.28Å; N235-S239 WeakPolarHBondContact O-CB 3.49Å; N235-S239 PolarHBondContact O-N 2.8Å; N235-S239 PolarHBondContact O-OG 3.3Å; A236-S239 PolarHBondContact O-N 2.99Å; T237-S239 VanDerWaalsContact C-N 3.29Å; T237-S239 PolarHBondContact O-N 2.93Å; S239-H241 VanDerWaalsContact C-N 3.28Å; S239-H241 PolarHBondContact O-N 2.85Å; S239-Q242 PolarHBondContact O-N 2.84Å; S239-Q242 VanDerWaalsContact O-N 3.13Å; S239-L243 VanDerWaalsContact O-CG 3.32Å; S239-L243 WeakPolarHBondContact O-CG 3.08Å; S239-L243 PolarHBondContact O-N 3.16Å
240	V	95.2	Very high	94.2	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.012	10%	0.097	C	C	.	.	H	α-helix	trans	-62.4	-39.2	178.6	170.1	0	0	0	0	110.6	L190 A236 T237 Q242 L243 V244 F316 F429 M466 L469	L190-V240 HydrophobicContact CD1-CG2 3.94Å; A236-V240 WeakPolarHBondContact O-CG2 3.48Å; A236-V240 PolarHBondContact O-N 2.9Å; T237-V240 PolarHBondContact O-N 3.48Å; V240-Q242 PolarHBondContact O-N 2.87Å; V240-L243 PolarHBondContact O-N 3.02Å; V240-V244 HydrophobicContact CG1-CG2 4.1Å; V240-V244 VanDerWaalsContact O-CG2 3.27Å; V240-V244 WeakPolarHBondContact O-CG2 3.28Å; V240-V244 PolarHBondContact O-N 2.79Å; V240-F316 HydrophobicContact CG1-CZ 4.26Å; V240-F429 HydrophobicContact CG1-CD1 4.27Å; V240-F429 HydrophobicContact CG1-CE1 3.77Å; V240-F429 HydrophobicContact CG2-CE1 4.08Å; V240-M466 HydrophobicContact CB-CE 3.37Å; V240-M466 HydrophobicContact CB-SD 4.34Å; V240-M466 HydrophobicContact CG1-CE 3.42Å; V240-M466 VanDerWaalsContact CG1-CE 3.42Å; V240-M466 HydrophobicContact CG1-SD 3.72Å; V240-M466 HydrophobicContact CG2-CE 3.85Å; V240-L469 HydrophobicContact CG1-CD2 4.37Å
241	H	95.1	Very high	94.6	Very high	37 Å²	37	14.8 Å²	14.8	17%	0.171	7%	0.073	C	C	.	.	H	α-helix	trans	-53.1	-44.1	173.9	165.1	53.9	0	0	0	112	T237 S239 E245 A462 N465	T237-H241 PolarHBondContact O-N 3.32Å; T237-H241 VanDerWaalsContact O-N 3.13Å; S239-H241 VanDerWaalsContact C-N 3.28Å; S239-H241 PolarHBondContact O-N 2.85Å; H241-E245 IonicContact CE1-OE1 3.88Å; H241-A462 HydrophobicContact CB-CB 3.93Å; H241-N465 PolarHBondContact ND1-ND2 3.34Å
242	Q	95.2	Very high	94.7	Very high	32 Å²	32	14.8 Å²	14.8	15%	0.15	7%	0.073	C	C	.	.	H	α-helix	trans	-71	-34.2	176	-64.7	-62.3	-36.8	0	0	113.5	W152 T200 L238 S239 V240 N246	W152-Q242 HydrophobicContact CZ2-CG 4.2Å; T200-Q242 HydrophobicContact CG2-CB 3.8Å; T200-Q242 HydrophobicContact CG2-CG 4.46Å; L238-Q242 PolarHBondContact O-N 2.82Å; S239-Q242 PolarHBondContact O-N 2.84Å; S239-Q242 VanDerWaalsContact O-N 3.13Å; V240-Q242 PolarHBondContact O-N 2.87Å; Q242-N246 WeakPolarHBondContact O-CB 3.21Å; Q242-N246 PolarHBondContact O-N 3.5Å; Q242-N246 VanDerWaalsContact O-N 3.16Å; Q242-N246 PolarHBondContact O-ND2 2.87Å; Q242-N246 PolarHBondContact OE1-ND2 3.09Å
243	L	95.4	Very high	94.8	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-68.7	-38	179.6	-68.6	170.9	0	0	0	112.4	L190 I203 T217 S239 V240 E245 T247 H315 F316	L190-L243 HydrophobicContact CD1-CD1 4.21Å; L190-L243 HydrophobicContact CD2-CD1 3.63Å; I203-L243 HydrophobicContact CD1-CD2 3.69Å; T217-L243 HydrophobicContact CG2-CD2 4.05Å; S239-L243 VanDerWaalsContact O-CG 3.32Å; S239-L243 WeakPolarHBondContact O-CG 3.08Å; S239-L243 PolarHBondContact O-N 3.16Å; V240-L243 PolarHBondContact O-N 3.02Å; L243-E245 PolarHBondContact O-N 3.14Å; L243-T247 HydrophobicContact CB-CG2 4.47Å; L243-T247 HydrophobicContact CD2-CG2 3.54Å; L243-T247 PolarHBondContact O-N 3.4Å; L243-T247 PolarHBondContact O-OG1 3.48Å; L243-H315 PolarHBondContact O-NE2 3.47Å; L243-F316 HydrophobicContact CB-CE1 4.24Å; L243-F316 HydrophobicContact CB-CZ 4.27Å
244	V	94.6	Very high	94.8	Very high	8 Å²	8	13.3 Å²	13.3	5%	0.048	7%	0.066	C	C	.	.	H	α-helix	trans	-56.7	-33.6	178.9	171.1	0	0	0	0	112.1	V240 R313 H315 F316 L469	V240-V244 HydrophobicContact CG1-CG2 4.1Å; V240-V244 VanDerWaalsContact O-CG2 3.27Å; V240-V244 WeakPolarHBondContact O-CG2 3.28Å; V240-V244 PolarHBondContact O-N 2.79Å; V244-R313 HydrophobicContact CG1-CB 4.25Å; V244-R313 HydrophobicContact CG1-CG 4.13Å; V244-H315 PolarHBondContact O-CE1 3.5Å; V244-F316 HydrophobicContact CG2-CE2 3.76Å; V244-F316 HydrophobicContact CG2-CZ 3.71Å; V244-L469 HydrophobicContact CG2-CD1 4.42Å; V244-L469 HydrophobicContact CG2-CD2 3.84Å
245	E	91.3	Very high	94.5	Very high	122 Å²	122	14.4 Å²	14.4	57%	0.57	7%	0.071	S	C	*	.	H	α-helix	trans	-97.8	-33.9	-175.2	-63.6	-177.4	-179.1	0	0	113	H241 L243	H241-E245 IonicContact CE1-OE1 3.88Å; L243-E245 PolarHBondContact O-N 3.14Å
246	N	94.2	Very high	94.2	Very high	24 Å²	24	16.1 Å²	16.1	13%	0.128	8%	0.079	C	C	.	.	H	α-helix	trans	-106.9	-4.1	-166.4	-59.4	-68	0	0	0	114.9	I203 Q242	I203-N246 HydrophobicContact CG2-CB 3.52Å; Q242-N246 WeakPolarHBondContact O-CB 3.21Å; Q242-N246 PolarHBondContact O-N 3.5Å; Q242-N246 VanDerWaalsContact O-N 3.16Å; Q242-N246 PolarHBondContact O-ND2 2.87Å; Q242-N246 PolarHBondContact OE1-ND2 3.09Å
247	T	94.9	Very high	94	Very high	6 Å²	6	16.4 Å²	16.4	4%	0.037	8%	0.082	C	C	.	.			trans	-115.1	147.8	179.7	71.1	0	0	0	0	112.6	I203 M215 T217 L243 T250 H315	I203-T247 HydrophobicContact CD1-CG2 4.12Å; I203-T247 HydrophobicContact CG2-CG2 3.87Å; M215-T247 HydrophobicContact CG-CG2 4Å; T217-T247 HydrophobicContact CG2-CG2 3.55Å; L243-T247 HydrophobicContact CB-CG2 4.47Å; L243-T247 HydrophobicContact CD2-CG2 3.54Å; L243-T247 PolarHBondContact O-N 3.4Å; L243-T247 PolarHBondContact O-OG1 3.48Å; T247-T250 PolarHBondContact OG1-OG1 3.25Å; T247-H315 PolarHBondContact O-CE1 3.04Å; T247-H315 PolarHBondContact O-NE2 3.08Å; T247-H315 PolarHBondContact OG1-CD2 3.12Å; T247-H315 PolarHBondContact OG1-NE2 3.45Å
248	D	94.3	Very high	93.8	Very high	34 Å²	34	16.4 Å²	16.4	18%	0.182	8%	0.082	C	C	.	.	S	Bend	trans	-93.8	-31.8	177.4	-57.5	-65.4	0	0	0	111.3	R207 I214 M215 H315	R207-D248 IonicContact CZ-OD1 2.92Å; R207-D248 IonicContact CZ-OD2 3.56Å; R207-D248 IonicContact NH1-OD1 3.41Å; R207-D248 PolarHBondContact NH1-OD1 2.96Å; R207-D248 IonicContact NH1-OD2 3.78Å; R207-D248 PolarHBondContact NH1-OD2 3.24Å; R207-D248 IonicContact NH2-OD1 3.06Å; R207-D248 PolarHBondContact NH2-OD1 3.15Å; R207-D248 IonicContact NH2-OD2 3.87Å; I214-D248 VanDerWaalsContact CA-OD2 3.32Å; I214-D248 WeakPolarHBondContact CA-OD2 3.41Å; I214-D248 HydrophobicContact CD1-CB 4.29Å; I214-D248 HydrophobicContact CG2-CB 4.32Å; M215-D248 PolarHBondContact N-OD2 3.45Å; M215-D248 PolarHBondContact O-N 3.08Å; D248-H315 WeakPolarHBondContact O-CB 3.42Å
249	E	93.9	Very high	93.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	130	175	-58.3	-178.9	175.5	0	0	110.9	M215 N216 T217 Y251 A305 F317	M215-E249 PolarHBondContact O-N 2.71Å; N216-E249 CarbonylContact C-O 3.58Å; N216-E249 WeakPolarHBondContact CA-O 3.33Å; N216-E249 PolarHBondContact ND2-OE2 2.99Å; N216-E249 WeakPolarHBondContact OD1-CB 3.1Å; T217-E249 PolarHBondContact N-O 3.37Å; E249-Y251 HydrophobicContact CB-CE2 4.27Å; E249-Y251 PolarHBondContact OE2-OH 2.89Å; E249-A305 HydrophobicContact CG-CB 4.12Å; E249-A305 WeakPolarHBondContact OE1-CA 3.31Å; E249-A305 VanDerWaalsContact OE1-CB 3.25Å; E249-A305 WeakPolarHBondContact OE1-CB 3.3Å; E249-A305 PolarHBondContact OE1-N 3.24Å; E249-F317 HydrophobicContact CB-CD2 4.39Å; E249-F317 HydrophobicContact CB-CE2 3.7Å; E249-F317 HydrophobicContact CB-CZ 4.45Å; E249-F317 HydrophobicContact CG-CE2 3.71Å; E249-F317 HydrophobicContact CG-CZ 4.17Å
250	T	96.1	Very high	93.2	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.006	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	116.5	174.5	-72	0	0	0	0	111	T217 T247 C252 H315 F316 F317	T217-T250 WeakPolarHBondContact OG1-CG2 3.35Å; T217-T250 PolarHBondContact OG1-OG1 3.27Å; T247-T250 PolarHBondContact OG1-OG1 3.25Å; T250-C252 PolarHBondContact O-N 3.05Å; T250-H315 PolarHBondContact N-O 3.41Å; T250-F316 HydrophobicContact CG2-CD1 3.62Å; T250-F316 HydrophobicContact CG2-CE1 3.8Å; T250-F316 CarbonylContact O-C 3.46Å; T250-F316 WeakPolarHBondContact O-CA 3.43Å; T250-F317 PolarHBondContact O-N 3.14Å
251	Y	96.2	Very high	93	Very high	1 Å²	1	21.4 Å²	21.4	0%	0.004	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	107.9	174.6	-62.5	-90.5	0	0	0	109.2	T217 F218 S219 E249 I253 V287 L304 F317 I419	T217-Y251 WeakPolarHBondContact O-CD2 3.46Å; T217-Y251 PolarHBondContact O-N 3.24Å; F218-Y251 HydrophobicContact CD1-CD2 4.08Å; F218-Y251 AromaticContact CD1-CG 3.97Å; F218-Y251 HydrophobicContact CD1-CG 3.97Å; F218-Y251 HydrophobicContact CE1-CD1 4.25Å; F218-Y251 AromaticContact CE1-CD2 3.69Å; F218-Y251 HydrophobicContact CE1-CD2 3.69Å; F218-Y251 HydrophobicContact CE1-CE2 4.37Å; F218-Y251 AromaticContact CE1-CG 3.65Å; F218-Y251 HydrophobicContact CE1-CG 3.65Å; F218-Y251 HydrophobicContact CE2-CD2 4.19Å; F218-Y251 AromaticContact CZ-CD2 3.77Å; F218-Y251 HydrophobicContact CZ-CD2 3.77Å; F218-Y251 HydrophobicContact CZ-CE2 4.08Å; F218-Y251 HydrophobicContact CZ-CG 4.19Å; S219-Y251 PolarHBondContact N-O 2.83Å; E249-Y251 HydrophobicContact CB-CE2 4.27Å; E249-Y251 PolarHBondContact OE2-OH 2.89Å; Y251-I253 PolarHBondContact O-N 3.32Å; Y251-V287 HydrophobicContact CD1-CG1 4.49Å; Y251-V287 HydrophobicContact CD1-CG2 4.21Å; Y251-V287 HydrophobicContact CE1-CB 4.43Å; Y251-V287 HydrophobicContact CE1-CG1 3.63Å; Y251-V287 HydrophobicContact CE1-CG2 3.87Å; Y251-V287 HydrophobicContact CE2-CG1 4.18Å; Y251-V287 VanDerWaalsContact CZ-CG1 3.48Å; Y251-V287 WeakPolarHBondContact OH-CG1 3.15Å; Y251-L304 WeakPolarHBondContact OH-CD2 3.33Å; Y251-F317 HydrophobicContact CD1-CB 4.24Å; Y251-F317 HydrophobicContact CD1-CD2 4.13Å; Y251-F317 AromaticContact CE1-CD2 3.75Å; Y251-F317 HydrophobicContact CE1-CD2 3.75Å; Y251-F317 HydrophobicContact CE2-CD2 4.39Å; Y251-F317 AromaticContact CZ-CD2 3.86Å; Y251-I419 HydrophobicContact CD1-CG2 4.4Å; Y251-I419 HydrophobicContact CE1-CD1 4.06Å; Y251-I419 HydrophobicContact CE1-CG1 4.19Å; Y251-I419 HydrophobicContact CE1-CG2 3.75Å
252	C	95	Very high	92.7	Very high	4 Å²	4	19.6 Å²	19.6	3%	0.027	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	110.8	-179.9	-67.7	0	0	0	0	110.6	T250 F317 P319 I425	T250-C252 PolarHBondContact O-N 3.05Å; C252-F317 WeakPolarHBondContact CB-O 3.49Å; C252-F317 PolarHBondContact N-O 3.26Å; C252-P319 WeakPolarHBondContact O-CD 3.17Å; C252-P319 WeakPolarHBondContact O-CG 3.21Å; C252-I425 HydrophobicContact CB-CD1 4.01Å
253	I	94.3	Very high	92.4	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.01	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	113.3	177.4	-65.1	156.7	0	0	0	107.7	F218 S219 V220 V221 Y251 L258 V280 P319	F218-I253 HydrophobicContact CB-CD1 4.14Å; F218-I253 HydrophobicContact CD1-CD1 4.1Å; S219-I253 PolarHBondContact O-N 3.01Å; V220-I253 CarbonylContact C-O 3.48Å; V220-I253 VanDerWaalsContact CA-O 3.27Å; V220-I253 WeakPolarHBondContact CA-O 3.42Å; V220-I253 HydrophobicContact CG2-CB 4.33Å; V220-I253 HydrophobicContact CG2-CG2 4.27Å; V221-I253 PolarHBondContact N-O 3.21Å; Y251-I253 PolarHBondContact O-N 3.32Å; I253-L258 HydrophobicContact CG2-CD1 3.63Å; I253-L258 HydrophobicContact CG2-CG 4.26Å; I253-V280 HydrophobicContact CD1-CG1 3.6Å; I253-V280 HydrophobicContact CG2-CG2 3.66Å; I253-P319 HydrophobicContact CG1-CG 4.27Å
254	D	92.4	Very high	91.9	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	120.3	-177.1	-169.9	-11.6	0	0	0	111.3	E256 A257 L258 M351 A353 L428 R431	D254-E256 PolarHBondContact O-N 3.02Å; D254-E256 VanDerWaalsContact OD1-CB 3.25Å; D254-E256 WeakPolarHBondContact OD1-CB 3.38Å; D254-E256 PolarHBondContact OD1-N 3.27Å; D254-A257 HydrophobicContact CB-CB 4.15Å; D254-A257 PolarHBondContact O-N 3.39Å; D254-A257 VanDerWaalsContact O-N 3.09Å; D254-L258 WeakPolarHBondContact O-CG 3.45Å; D254-L258 PolarHBondContact O-N 3.01Å; D254-M351 PolarHBondContact N-O 3.41Å; D254-A353 WeakPolarHBondContact OD2-CB 3.49Å; D254-A353 PolarHBondContact OD2-N 2.69Å; D254-L428 HydrophobicContact CB-CD1 4.18Å; D254-R431 IonicContact OD1-NH2 3.6Å; D254-R431 IonicContact OD2-CZ 3.26Å; D254-R431 VanDerWaalsContact OD2-CZ 3.26Å; D254-R431 IonicContact OD2-NH1 2.89Å; D254-R431 PolarHBondContact OD2-NH1 3.27Å; D254-R431 IonicContact OD2-NH2 2.71Å; D254-R431 PolarHBondContact OD2-NH2 3.12Å
255	N	89.3	Confident	91.5	Very high	23 Å²	23	31.6 Å²	31.6	12%	0.123	15%	0.146	C	C	.	.	H	α-helix	trans	-57.7	-29.8	174.7	-82.6	-21	0	0	0	112.7	V220 V221 V226 Y259	V220-N255 WeakPolarHBondContact CG1-OD1 3.44Å; V221-N255 PolarHBondContact O-N 2.87Å; V226-N255 HydrophobicContact CB-CB 4.09Å; V226-N255 HydrophobicContact CG1-CB 4.24Å; V226-N255 HydrophobicContact CG2-CB 3.96Å; N255-Y259 VanDerWaalsContact O-CB 3.3Å; N255-Y259 WeakPolarHBondContact O-CB 3.17Å; N255-Y259 PolarHBondContact O-N 3.39Å
256	E	88.2	Confident	91.3	Very high	36 Å²	36	27.3 Å²	27.3	17%	0.168	13%	0.126	C	C	.	.	H	α-helix	trans	-63	-48.1	174.3	-176.1	153.2	-172.1	0	0	112	S223 K225 D254 Y259 D260 A353 R431	S223-E256 WeakPolarHBondContact OG-CB 3.24Å; K225-E256 HydrophobicContact CD-CG 4.04Å; K225-E256 WeakPolarHBondContact CE-OE1 3.47Å; K225-E256 IonicContact NZ-OE1 2.71Å; K225-E256 PolarHBondContact NZ-OE1 3.18Å; D254-E256 PolarHBondContact O-N 3.02Å; D254-E256 VanDerWaalsContact OD1-CB 3.25Å; D254-E256 WeakPolarHBondContact OD1-CB 3.38Å; D254-E256 PolarHBondContact OD1-N 3.27Å; E256-Y259 PolarHBondContact O-N 3.16Å; E256-D260 WeakPolarHBondContact O-CB 3.31Å; E256-D260 PolarHBondContact O-N 3.33Å; E256-A353 HydrophobicContact CB-CB 4.03Å; E256-A353 HydrophobicContact CG-CB 4.02Å; E256-R431 IonicContact OE2-CZ 3.61Å; E256-R431 IonicContact OE2-NE 3.96Å; E256-R431 IonicContact OE2-NH1 2.77Å; E256-R431 PolarHBondContact OE2-NH1 3.43Å
257	A	90.8	Very high	90.9	Very high	6 Å²	6	33.4 Å²	33.4	5%	0.05	15%	0.152	C	C	.	.	H	α-helix	trans	-67.1	-43.5	-180	0	0	0	0	0	111.1	D254 Y259 D260 I261 A353	D254-A257 HydrophobicContact CB-CB 4.15Å; D254-A257 PolarHBondContact O-N 3.39Å; D254-A257 VanDerWaalsContact O-N 3.09Å; A257-Y259 VanDerWaalsContact C-N 3.32Å; A257-Y259 PolarHBondContact O-N 3.18Å; A257-D260 PolarHBondContact O-N 3.44Å; A257-I261 WeakPolarHBondContact O-CB 3.49Å; A257-I261 VanDerWaalsContact O-CG1 3.28Å; A257-I261 WeakPolarHBondContact O-CG1 3.33Å; A257-I261 PolarHBondContact O-N 3.48Å; A257-A353 HydrophobicContact CB-CB 4.01Å
258	L	91.3	Very high	90.5	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-59.4	-43.2	176.5	-64.7	177.9	0	0	0	111.8	I253 D254 I261 C262 L276 L279 V280 M351	I253-L258 HydrophobicContact CG2-CD1 3.63Å; I253-L258 HydrophobicContact CG2-CG 4.26Å; D254-L258 WeakPolarHBondContact O-CG 3.45Å; D254-L258 PolarHBondContact O-N 3.01Å; L258-I261 PolarHBondContact O-N 2.95Å; L258-C262 WeakPolarHBondContact O-CB 3.43Å; L258-C262 PolarHBondContact O-N 2.79Å; L258-C262 PolarHBondContact O-SG 2.82Å; L258-L276 HydrophobicContact CB-CB 4.46Å; L258-L276 HydrophobicContact CB-CD2 4.09Å; L258-L276 HydrophobicContact CB-CG 3.86Å; L258-L276 HydrophobicContact CD1-CB 4.24Å; L258-L276 HydrophobicContact CD1-CD2 4.43Å; L258-L276 HydrophobicContact CD1-CG 4.4Å; L258-L279 HydrophobicContact CD2-CB 3.9Å; L258-L279 HydrophobicContact CD2-CD1 4.1Å; L258-V280 HydrophobicContact CD1-CG2 3.57Å; L258-V280 HydrophobicContact CD2-CG2 4.28Å; L258-M351 HydrophobicContact CD2-SD 3.39Å; L258-M351 WeakPolarHBondContact CD2-SD 3.38Å
259	Y	89.6	Confident	90.1	Very high	72 Å²	72	39.6 Å²	39.6	28%	0.282	19%	0.189	S	C	.	.	H	α-helix	trans	-63.8	-47.3	176.6	-172.1	-87.2	0	0	0	111.5	V226 N255 E256 A257 I261 C262 F263 P271	V226-Y259 HydrophobicContact CG2-CD2 4.23Å; V226-Y259 HydrophobicContact CG2-CG 4.37Å; N255-Y259 VanDerWaalsContact O-CB 3.3Å; N255-Y259 WeakPolarHBondContact O-CB 3.17Å; N255-Y259 PolarHBondContact O-N 3.39Å; E256-Y259 PolarHBondContact O-N 3.16Å; A257-Y259 VanDerWaalsContact C-N 3.32Å; A257-Y259 PolarHBondContact O-N 3.18Å; Y259-I261 VanDerWaalsContact C-N 3.32Å; Y259-I261 PolarHBondContact O-N 3.5Å; Y259-C262 PolarHBondContact O-N 2.88Å; Y259-F263 HydrophobicContact CD1-CB 4.47Å; Y259-F263 HydrophobicContact CE1-CB 4.24Å; Y259-F263 HydrophobicContact CE1-CG 4.48Å; Y259-F263 VanDerWaalsContact O-CB 3.31Å; Y259-F263 WeakPolarHBondContact O-CB 3.31Å; Y259-F263 PolarHBondContact O-N 3.21Å; Y259-P271 HydrophobicContact CD2-CB 4.08Å; Y259-P271 HydrophobicContact CD2-CG 4.07Å; Y259-P271 HydrophobicContact CE2-CB 4.04Å; Y259-P271 HydrophobicContact CE2-CG 3.78Å
260	D	90.1	Very high	89.7	Confident	36 Å²	36	44.8 Å²	44.8	19%	0.193	22%	0.221	C	C	.	.	H	α-helix	trans	-63.3	-37.5	179.2	-81.5	-1.2	0	0	0	111.7	K225 E256 A257 R264	K225-D260 IonicContact NZ-OD1 3.32Å; K225-D260 PolarHBondContact NZ-OD1 3.02Å; K225-D260 IonicContact NZ-OD2 3.32Å; K225-D260 PolarHBondContact NZ-OD2 2.89Å; E256-D260 WeakPolarHBondContact O-CB 3.31Å; E256-D260 PolarHBondContact O-N 3.33Å; A257-D260 PolarHBondContact O-N 3.44Å; D260-R264 WeakPolarHBondContact O-CA 3.5Å; D260-R264 WeakPolarHBondContact O-CB 3.39Å; D260-R264 WeakPolarHBondContact O-CG 3.4Å; D260-R264 PolarHBondContact O-N 2.76Å; D260-R264 IonicContact OD2-CZ 3.91Å; D260-R264 IonicContact OD2-NH1 3.97Å
261	I	90.3	Very high	89.2	Confident	4 Å²	4	45.8 Å²	45.8	2%	0.021	23%	0.227	C	C	.	.	I	π-helix	trans	-61.8	-51.2	172.1	-73.9	167.7	0	0	0	110.7	A257 L258 Y259 F263 T265 L266 L279 L324 K348 M350 M351	A257-I261 WeakPolarHBondContact O-CB 3.49Å; A257-I261 VanDerWaalsContact O-CG1 3.28Å; A257-I261 WeakPolarHBondContact O-CG1 3.33Å; A257-I261 PolarHBondContact O-N 3.48Å; L258-I261 PolarHBondContact O-N 2.95Å; Y259-I261 VanDerWaalsContact C-N 3.32Å; Y259-I261 PolarHBondContact O-N 3.5Å; I261-F263 VanDerWaalsContact C-N 3.34Å; I261-F263 PolarHBondContact O-N 3.23Å; I261-T265 WeakPolarHBondContact O-CA 3.22Å; I261-T265 VanDerWaalsContact O-CB 3.22Å; I261-T265 WeakPolarHBondContact O-CB 3.42Å; I261-T265 PolarHBondContact O-N 3.39Å; I261-L266 HydrophobicContact CG2-CG 4.49Å; I261-L266 PolarHBondContact O-N 3.23Å; I261-L279 HydrophobicContact CB-CD1 4.25Å; I261-L279 HydrophobicContact CG2-CD1 3.65Å; I261-L324 HydrophobicContact CD1-CD1 4.1Å; I261-L324 HydrophobicContact CG1-CD1 4.4Å; I261-L324 HydrophobicContact CG2-CD1 3.77Å; I261-K348 VanDerWaalsContact CG1-O 3.32Å; I261-K348 WeakPolarHBondContact CG1-O 3.45Å; I261-M350 WeakPolarHBondContact CD1-O 3.34Å; I261-M351 HydrophobicContact CD1-CE 4.39Å; I261-M351 HydrophobicContact CD1-SD 3.68Å
262	C	89.3	Confident	88.9	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.249	C	C	.	.	I	π-helix	trans	-60.9	-45.1	-178.4	-70.3	0	0	0	0	111.5	L258 Y259 L266 K267 L268 P271 L279	L258-C262 WeakPolarHBondContact O-CB 3.43Å; L258-C262 PolarHBondContact O-N 2.79Å; L258-C262 PolarHBondContact O-SG 2.82Å; Y259-C262 PolarHBondContact O-N 2.88Å; C262-L266 CarbonylContact O-C 3.56Å; C262-L266 WeakPolarHBondContact O-CB 3.34Å; C262-K267 PolarHBondContact O-N 3.43Å; C262-L268 HydrophobicContact CB-CD1 4.29Å; C262-L268 WeakPolarHBondContact O-CB 3.37Å; C262-L268 PolarHBondContact O-N 3.08Å; C262-P271 HydrophobicContact CB-CB 3.71Å; C262-P271 HydrophobicContact CB-CG 3.74Å; C262-L279 VanDerWaalsContact SG-CD1 3.58Å
263	F	88.3	Confident	88.4	Confident	97 Å²	97	54.8 Å²	54.8	43%	0.425	27%	0.27	S	S	.	.	I	π-helix	trans	-74.8	-50.9	-176.7	-173.2	-103.8	0	0	0	112.5	Y259 I261 K267 L268 P271	Y259-F263 HydrophobicContact CD1-CB 4.47Å; Y259-F263 HydrophobicContact CE1-CB 4.24Å; Y259-F263 HydrophobicContact CE1-CG 4.48Å; Y259-F263 VanDerWaalsContact O-CB 3.31Å; Y259-F263 WeakPolarHBondContact O-CB 3.31Å; Y259-F263 PolarHBondContact O-N 3.21Å; I261-F263 VanDerWaalsContact C-N 3.34Å; I261-F263 PolarHBondContact O-N 3.23Å; F263-K267 WeakPolarHBondContact O-CA 3.03Å; F263-L268 WeakPolarHBondContact CA-O 3.34Å; F263-L268 WeakPolarHBondContact CD2-O 3.47Å; F263-P271 HydrophobicContact CB-CG 4.22Å
264	R	86.3	Confident	88.1	Confident	154 Å²	154	56.6 Å²	56.6	58%	0.581	29%	0.289	S	S	*	.	I	π-helix	trans	-86.3	-41.5	-172.1	-59.2	179.8	177.3	176.9	0.5	112.9	D260 K267	D260-R264 WeakPolarHBondContact O-CA 3.5Å; D260-R264 WeakPolarHBondContact O-CB 3.39Å; D260-R264 WeakPolarHBondContact O-CG 3.4Å; D260-R264 PolarHBondContact O-N 2.76Å; D260-R264 IonicContact OD2-CZ 3.91Å; D260-R264 IonicContact OD2-NH1 3.97Å; R264-K267 WeakPolarHBondContact O-CD 3.35Å; R264-K267 WeakPolarHBondContact O-CE 3.44Å; R264-K267 PolarHBondContact O-NZ 2.87Å
265	T	85.7	Confident	87.9	Confident	40 Å²	40	58.8 Å²	58.8	25%	0.245	30%	0.301	C	S	.	.	I	π-helix	trans	-90.8	-51.1	-173.7	-57.4	0	0	0	0	111.2	I261 K267 L324	I261-T265 WeakPolarHBondContact O-CA 3.22Å; I261-T265 VanDerWaalsContact O-CB 3.22Å; I261-T265 WeakPolarHBondContact O-CB 3.42Å; I261-T265 PolarHBondContact O-N 3.39Å; T265-K267 VanDerWaalsContact C-N 3.29Å; T265-K267 PolarHBondContact O-N 3.49Å; T265-L324 HydrophobicContact CG2-CB 4.12Å
266	L	86.3	Confident	87.9	Confident	32 Å²	32	58 Å²	58	17%	0.168	30%	0.296	C	S	.	.	S	Bend	trans	-79.9	-11	180	-58.6	179.9	0	0	0	113.6	I261 C262 L268 L279 S326	I261-L266 HydrophobicContact CG2-CG 4.49Å; I261-L266 PolarHBondContact O-N 3.23Å; C262-L266 CarbonylContact O-C 3.56Å; C262-L266 WeakPolarHBondContact O-CB 3.34Å; L266-L268 VanDerWaalsContact C-N 3.29Å; L266-L268 HydrophobicContact CB-CD1 4.35Å; L266-L268 HydrophobicContact CB-CG 4.1Å; L266-L268 PolarHBondContact O-N 3.32Å; L266-L279 HydrophobicContact CD1-CD2 4.35Å; L266-S326 VanDerWaalsContact O-CB 3.24Å; L266-S326 WeakPolarHBondContact O-CB 3.44Å
267	K	87.6	Confident	88.1	Confident	152 Å²	152	56.9 Å²	56.9	66%	0.661	29%	0.292	S	S	*	.			trans	61	34.3	179.5	-54.3	-60	-174.4	-166	0	113.2	C262 F263 R264 T265	C262-K267 PolarHBondContact O-N 3.43Å; F263-K267 WeakPolarHBondContact O-CA 3.03Å; R264-K267 WeakPolarHBondContact O-CD 3.35Å; R264-K267 WeakPolarHBondContact O-CE 3.44Å; R264-K267 PolarHBondContact O-NZ 2.87Å; T265-K267 VanDerWaalsContact C-N 3.29Å; T265-K267 PolarHBondContact O-N 3.49Å
268	L	85.9	Confident	88	Confident	55 Å²	55	62.3 Å²	62.3	29%	0.288	32%	0.316	S	S	.	.			trans	-83.4	119.5	172.5	-58.9	178.3	0	0	0	109	C262 F263 L266 T270 D275	C262-L268 HydrophobicContact CB-CD1 4.29Å; C262-L268 WeakPolarHBondContact O-CB 3.37Å; C262-L268 PolarHBondContact O-N 3.08Å; F263-L268 WeakPolarHBondContact CA-O 3.34Å; F263-L268 WeakPolarHBondContact CD2-O 3.47Å; L266-L268 VanDerWaalsContact C-N 3.29Å; L266-L268 HydrophobicContact CB-CD1 4.35Å; L266-L268 HydrophobicContact CB-CG 4.1Å; L266-L268 PolarHBondContact O-N 3.32Å; L268-T270 VanDerWaalsContact C-N 3.31Å; L268-T270 PolarHBondContact O-N 3.05Å; L268-D275 HydrophobicContact CD1-CB 4.07Å
269	T	84.6	Confident	87.9	Confident	116 Å²	116	62.6 Å²	62.6	71%	0.712	32%	0.317	S	S	*	.	S	Bend	trans	-68	-31.8	-177.8	47.3	0	0	0	0	113
270	T	85.4	Confident	88.1	Confident	109 Å²	109	59.2 Å²	59.2	67%	0.669	30%	0.304	S	S	*	.	S	Bend	trans	-136.8	83.9	-179.5	51.4	0	0	0	0	109.2	L268 T272	L268-T270 VanDerWaalsContact C-N 3.31Å; L268-T270 PolarHBondContact O-N 3.05Å; T270-T272 PolarHBondContact O-N 3.34Å
271	P	86.9	Confident	88.2	Confident	21 Å²	21	57.6 Å²	57.6	14%	0.136	30%	0.295	C	S	.	.			trans	-59.3	133.9	176.7	-22.9	34.4	0	0	0	111.4	Y259 C262 F263 L276	Y259-P271 HydrophobicContact CD2-CB 4.08Å; Y259-P271 HydrophobicContact CD2-CG 4.07Å; Y259-P271 HydrophobicContact CE2-CB 4.04Å; Y259-P271 HydrophobicContact CE2-CG 3.78Å; C262-P271 HydrophobicContact CB-CB 3.71Å; C262-P271 HydrophobicContact CB-CG 3.74Å; F263-P271 HydrophobicContact CB-CG 4.22Å; P271-L276 HydrophobicContact CB-CD1 4.05Å
272	T	89.1	Confident	88.2	Confident	77 Å²	77	58.3 Å²	58.3	47%	0.472	30%	0.302	S	S	.	.			trans	-105.7	161.1	174.8	67.3	0	0	0	0	110.9	T270 G274 D275 L276	T270-T272 PolarHBondContact O-N 3.34Å; T272-G274 PolarHBondContact O-N 3.29Å; T272-G274 VanDerWaalsContact O-N 3.13Å; T272-G274 PolarHBondContact OG1-N 3.09Å; T272-D275 PolarHBondContact N-OD2 2.8Å; T272-D275 WeakPolarHBondContact O-CB 3.47Å; T272-D275 PolarHBondContact O-N 3.46Å; T272-D275 PolarHBondContact OG1-N 2.9Å; T272-D275 PolarHBondContact OG1-OD2 2.73Å; T272-L276 WeakPolarHBondContact O-CD1 3.39Å; T272-L276 PolarHBondContact O-N 3.29Å
273	Y	85.9	Confident	88.3	Confident	118 Å²	118	58.3 Å²	58.3	46%	0.463	30%	0.302	S	S	.	.	H	α-helix	trans	-55.7	-29.7	172.6	-78.1	-68.9	0	0	0	112.9	V226 D275 L276 N277	V226-Y273 HydrophobicContact CG1-CE1 3.72Å; V226-Y273 WeakPolarHBondContact CG1-OH 3.34Å; V226-Y273 PolarHBondContact O-OH 3.34Å; Y273-D275 VanDerWaalsContact C-N 3.32Å; Y273-D275 PolarHBondContact O-N 2.93Å; Y273-L276 PolarHBondContact O-N 3.02Å; Y273-N277 VanDerWaalsContact O-CB 3.25Å; Y273-N277 WeakPolarHBondContact O-CB 3.31Å; Y273-N277 PolarHBondContact O-N 3.28Å; Y273-N277 PolarHBondContact O-ND2 2.79Å; Y273-N277 PolarHBondContact O-OD1 3Å
274	G	86.9	Confident	88.5	Confident	40 Å²	40	53.7 Å²	53.7	41%	0.412	28%	0.282	S	S	.	.	H	α-helix	trans	-62.1	-37.5	173	0	0	0	0	0	113.2	T272 H278	T272-G274 PolarHBondContact O-N 3.29Å; T272-G274 VanDerWaalsContact O-N 3.13Å; T272-G274 PolarHBondContact OG1-N 3.09Å; G274-H278 PolarHBondContact O-N 3.44Å; G274-H278 VanDerWaalsContact O-N 3.08Å
275	D	88.6	Confident	88.8	Confident	46 Å²	46	46.4 Å²	46.4	25%	0.246	26%	0.255	C	S	.	.	H	α-helix	trans	-71.5	-41.9	177.2	-57	-59.2	0	0	0	111.3	L268 T272 Y273 H278 L279	L268-D275 HydrophobicContact CD1-CB 4.07Å; T272-D275 PolarHBondContact N-OD2 2.8Å; T272-D275 WeakPolarHBondContact O-CB 3.47Å; T272-D275 PolarHBondContact O-N 3.46Å; T272-D275 PolarHBondContact OG1-N 2.9Å; T272-D275 PolarHBondContact OG1-OD2 2.73Å; Y273-D275 VanDerWaalsContact C-N 3.32Å; Y273-D275 PolarHBondContact O-N 2.93Å; D275-H278 WeakPolarHBondContact O-CB 3.47Å; D275-H278 PolarHBondContact O-N 2.83Å; D275-L279 PolarHBondContact O-N 2.81Å
276	L	90	Very high	89	Confident	5 Å²	5	44.5 Å²	44.5	3%	0.026	24%	0.243	C	C	.	.	H	α-helix	trans	-61.8	-49.8	175.2	-81.2	71	0	0	0	110.3	V226 L258 P271 T272 Y273 H278 L279 V280	V226-L276 HydrophobicContact CG1-CD2 4.43Å; L258-L276 HydrophobicContact CB-CB 4.46Å; L258-L276 HydrophobicContact CB-CD2 4.09Å; L258-L276 HydrophobicContact CB-CG 3.86Å; L258-L276 HydrophobicContact CD1-CB 4.24Å; L258-L276 HydrophobicContact CD1-CD2 4.43Å; L258-L276 HydrophobicContact CD1-CG 4.4Å; P271-L276 HydrophobicContact CB-CD1 4.05Å; T272-L276 WeakPolarHBondContact O-CD1 3.39Å; T272-L276 PolarHBondContact O-N 3.29Å; Y273-L276 PolarHBondContact O-N 3.02Å; L276-H278 PolarHBondContact O-N 3.37Å; L276-L279 WeakPolarHBondContact O-CB 3.4Å; L276-L279 PolarHBondContact O-N 3.37Å; L276-V280 WeakPolarHBondContact O-CG2 3.42Å; L276-V280 PolarHBondContact O-N 2.99Å; L276-V280 VanDerWaalsContact O-N 3.08Å
277	N	90.9	Very high	89.1	Confident	14 Å²	14	43.4 Å²	43.4	8%	0.075	24%	0.237	C	C	.	.	H	α-helix	trans	-61.5	-30.7	179.5	-66.9	-13.6	0	0	0	112	I67 K70 Y273 V280 S281	I67-N277 WeakPolarHBondContact CG1-OD1 3.45Å; K70-N277 HydrophobicContact CG-CB 4.2Å; Y273-N277 VanDerWaalsContact O-CB 3.25Å; Y273-N277 WeakPolarHBondContact O-CB 3.31Å; Y273-N277 PolarHBondContact O-N 3.28Å; Y273-N277 PolarHBondContact O-ND2 2.79Å; Y273-N277 PolarHBondContact O-OD1 3Å; N277-V280 PolarHBondContact O-N 2.87Å; N277-S281 WeakPolarHBondContact O-CB 3.27Å; N277-S281 PolarHBondContact O-N 3.1Å; N277-S281 PolarHBondContact O-OG 3.1Å
278	H	88.3	Confident	89.3	Confident	120 Å²	120	36.3 Å²	36.3	56%	0.556	21%	0.207	S	C	*	.	H	α-helix	trans	-62.8	-45.2	173.6	-175.3	60.2	0	0	0	111.8	G274 D275 L276 V280 S281 A282	G274-H278 PolarHBondContact O-N 3.44Å; G274-H278 VanDerWaalsContact O-N 3.08Å; D275-H278 WeakPolarHBondContact O-CB 3.47Å; D275-H278 PolarHBondContact O-N 2.83Å; L276-H278 PolarHBondContact O-N 3.37Å; H278-V280 PolarHBondContact O-N 3.26Å; H278-S281 PolarHBondContact O-N 2.88Å; H278-S281 PolarHBondContact O-OG 3.41Å; H278-A282 PolarHBondContact O-N 3.4Å
279	L	90.5	Very high	89.4	Confident	7 Å²	7	33.7 Å²	33.7	4%	0.037	19%	0.193	C	C	.	.	H	α-helix	trans	-63.2	-41.5	176	-66.9	178.6	0	0	0	112.4	L258 I261 C262 L266 D275 L276 A282 T283 L324 M351	L258-L279 HydrophobicContact CD2-CB 3.9Å; L258-L279 HydrophobicContact CD2-CD1 4.1Å; I261-L279 HydrophobicContact CB-CD1 4.25Å; I261-L279 HydrophobicContact CG2-CD1 3.65Å; C262-L279 VanDerWaalsContact SG-CD1 3.58Å; L266-L279 HydrophobicContact CD1-CD2 4.35Å; D275-L279 PolarHBondContact O-N 2.81Å; L276-L279 WeakPolarHBondContact O-CB 3.4Å; L276-L279 PolarHBondContact O-N 3.37Å; L279-A282 PolarHBondContact O-N 3.01Å; L279-T283 PolarHBondContact O-N 3.02Å; L279-T283 VanDerWaalsContact O-N 3.09Å; L279-T283 PolarHBondContact O-OG1 3.3Å; L279-L324 HydrophobicContact CD2-CD2 3.53Å; L279-M351 HydrophobicContact CB-CE 4.12Å; L279-M351 HydrophobicContact CB-SD 4.41Å; L279-M351 HydrophobicContact CD2-CE 4.39Å
280	V	93	Very high	89.3	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.006	17%	0.166	C	C	.	.	H	α-helix	trans	-63.8	-46.9	177.1	-177.9	0	0	0	0	110.8	I67 I253 L258 L276 N277 H278 A282 T283 M284	I67-V280 HydrophobicContact CD1-CG1 4.25Å; I67-V280 HydrophobicContact CG1-CG1 4.42Å; I67-V280 HydrophobicContact CG2-CB 4.25Å; I67-V280 HydrophobicContact CG2-CG1 3.45Å; I67-V280 VanDerWaalsContact CG2-CG1 3.45Å; I253-V280 HydrophobicContact CD1-CG1 3.6Å; I253-V280 HydrophobicContact CG2-CG2 3.66Å; L258-V280 HydrophobicContact CD1-CG2 3.57Å; L258-V280 HydrophobicContact CD2-CG2 4.28Å; L276-V280 WeakPolarHBondContact O-CG2 3.42Å; L276-V280 PolarHBondContact O-N 2.99Å; L276-V280 VanDerWaalsContact O-N 3.08Å; N277-V280 PolarHBondContact O-N 2.87Å; H278-V280 PolarHBondContact O-N 3.26Å; V280-A282 VanDerWaalsContact C-N 3.3Å; V280-A282 PolarHBondContact O-N 3.45Å; V280-T283 WeakPolarHBondContact O-CB 3.43Å; V280-T283 PolarHBondContact O-N 3.3Å; V280-T283 VanDerWaalsContact O-N 3.13Å; V280-M284 HydrophobicContact CG1-CG 4.23Å; V280-M284 HydrophobicContact CG1-SD 3.97Å; V280-M284 WeakPolarHBondContact O-CG 3.5Å; V280-M284 PolarHBondContact O-N 3.45Å
281	S	91.8	Very high	89.3	Confident	1 Å²	1	24.5 Å²	24.5	1%	0.007	14%	0.137	C	C	.	.	H	α-helix	trans	-61.4	-37.3	178.8	68.8	0	0	0	0	112.8	N277 H278 M284 S285	N277-S281 WeakPolarHBondContact O-CB 3.27Å; N277-S281 PolarHBondContact O-N 3.1Å; N277-S281 PolarHBondContact O-OG 3.1Å; H278-S281 PolarHBondContact O-N 2.88Å; H278-S281 PolarHBondContact O-OG 3.41Å; S281-M284 PolarHBondContact O-N 3.47Å; S281-S285 VanDerWaalsContact O-CB 3.31Å; S281-S285 WeakPolarHBondContact O-CB 3.4Å; S281-S285 PolarHBondContact O-N 3.31Å
282	A	90.6	Very high	89.3	Confident	19 Å²	19	23.6 Å²	23.6	16%	0.157	13%	0.131	C	C	.	.	H	α-helix	trans	-64.6	-41.6	175.1	0	0	0	0	0	111.7	H278 L279 V280 G286 F321	H278-A282 PolarHBondContact O-N 3.4Å; L279-A282 PolarHBondContact O-N 3.01Å; V280-A282 VanDerWaalsContact C-N 3.3Å; V280-A282 PolarHBondContact O-N 3.45Å; A282-G286 PolarHBondContact O-N 3Å; A282-F321 HydrophobicContact CB-CD2 4.39Å; A282-F321 HydrophobicContact CB-CE1 4.37Å; A282-F321 HydrophobicContact CB-CE2 4.2Å; A282-F321 HydrophobicContact CB-CZ 4.2Å
283	T	91.8	Very high	89.2	Confident	1 Å²	1	19.9 Å²	19.9	1%	0.006	11%	0.108	C	C	.	.	H	α-helix	trans	-63.9	-49.6	175.8	-56.7	0	0	0	0	111	L279 V280 S285 G286 V287 P319	L279-T283 PolarHBondContact O-N 3.02Å; L279-T283 VanDerWaalsContact O-N 3.09Å; L279-T283 PolarHBondContact O-OG1 3.3Å; V280-T283 WeakPolarHBondContact O-CB 3.43Å; V280-T283 PolarHBondContact O-N 3.3Å; V280-T283 VanDerWaalsContact O-N 3.13Å; T283-S285 VanDerWaalsContact C-N 3.35Å; T283-S285 PolarHBondContact O-N 2.88Å; T283-G286 WeakPolarHBondContact O-CA 3.35Å; T283-G286 PolarHBondContact O-N 2.82Å; T283-G286 VanDerWaalsContact O-N 3.1Å; T283-V287 HydrophobicContact CG2-CG2 4.44Å; T283-V287 WeakPolarHBondContact O-CG2 3.48Å; T283-V287 PolarHBondContact O-N 2.87Å; T283-P319 HydrophobicContact CG2-CB 3.45Å; T283-P319 VanDerWaalsContact CG2-CB 3.45Å; T283-P319 HydrophobicContact CG2-CG 4.29Å
284	M	93.1	Very high	88.8	Confident	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-60.8	-43	178.2	-70.4	176.8	70.3	0	0	112.1	I67 F71 T187 F218 V280 S281 G286 T288	I67-M284 HydrophobicContact CG2-SD 3.5Å; I67-M284 WeakPolarHBondContact CG2-SD 3.29Å; F71-M284 HydrophobicContact CB-CE 3.74Å; F71-M284 HydrophobicContact CB-SD 4.03Å; F71-M284 HydrophobicContact CD1-CE 4.03Å; F71-M284 HydrophobicContact CD2-CB 3.53Å; F71-M284 HydrophobicContact CD2-CE 3.71Å; F71-M284 HydrophobicContact CD2-SD 4.3Å; F71-M284 HydrophobicContact CE2-CB 3.94Å; F71-M284 HydrophobicContact CE2-CE 4.29Å; F71-M284 HydrophobicContact CG-CB 4.43Å; F71-M284 HydrophobicContact CG-CE 3.54Å; F71-M284 HydrophobicContact CG-SD 4.32Å; T187-M284 HydrophobicContact CG2-CE 3.3Å; T187-M284 HydrophobicContact CG2-SD 4.11Å; F218-M284 HydrophobicContact CD1-CG 3.64Å; F218-M284 HydrophobicContact CD2-CE 4.13Å; F218-M284 HydrophobicContact CE1-CB 4.39Å; F218-M284 HydrophobicContact CE1-CG 3.71Å; F218-M284 HydrophobicContact CG-CE 4.24Å; F218-M284 HydrophobicContact CG-CG 4.07Å; F218-M284 HydrophobicContact CG-SD 4.42Å; F218-M284 HydrophobicContact CZ-CG 4.23Å; V280-M284 HydrophobicContact CG1-CG 4.23Å; V280-M284 HydrophobicContact CG1-SD 3.97Å; V280-M284 WeakPolarHBondContact O-CG 3.5Å; V280-M284 PolarHBondContact O-N 3.45Å; S281-M284 PolarHBondContact O-N 3.47Å; M284-G286 VanDerWaalsContact C-N 3.29Å; M284-G286 PolarHBondContact O-N 3.45Å; M284-T288 WeakPolarHBondContact O-CB 3.34Å; M284-T288 VanDerWaalsContact O-CG2 3.24Å; M284-T288 WeakPolarHBondContact O-CG2 3.38Å; M284-T288 PolarHBondContact O-N 2.9Å; M284-T288 VanDerWaalsContact O-N 3.08Å; M284-T288 PolarHBondContact O-OG1 3.18Å
285	S	92.3	Very high	87.9	Confident	1 Å²	1	15.6 Å²	15.6	1%	0.007	9%	0.091	C	C	.	.	H	α-helix	trans	-59.5	-43.7	173.9	172.6	0	0	0	0	111	E78 S281 T283 T288 T289 R292 R369	E78-S285 PolarHBondContact OE1-OG 2.92Å; E78-S285 PolarHBondContact OE2-OG 2.97Å; S281-S285 VanDerWaalsContact O-CB 3.31Å; S281-S285 WeakPolarHBondContact O-CB 3.4Å; S281-S285 PolarHBondContact O-N 3.31Å; T283-S285 VanDerWaalsContact C-N 3.35Å; T283-S285 PolarHBondContact O-N 2.88Å; S285-T288 PolarHBondContact O-N 2.82Å; S285-T288 PolarHBondContact O-OG1 3.16Å; S285-T289 PolarHBondContact O-N 3.22Å; S285-T289 VanDerWaalsContact O-N 3.1Å; S285-T289 PolarHBondContact O-OG1 2.73Å; S285-R292 PolarHBondContact O-NH2 3.48Å; S285-R292 PolarHBondContact OG-NH2 2.94Å; S285-R369 PolarHBondContact OG-NH1 2.95Å
286	G	90.1	Very high	86.5	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-59.4	-52.7	176.9	0	0	0	0	0	114.4	A282 T283 M284 T288 T289 T417	A282-G286 PolarHBondContact O-N 3Å; T283-G286 WeakPolarHBondContact O-CA 3.35Å; T283-G286 PolarHBondContact O-N 2.82Å; T283-G286 VanDerWaalsContact O-N 3.1Å; M284-G286 VanDerWaalsContact C-N 3.29Å; M284-G286 PolarHBondContact O-N 3.45Å; G286-T288 VanDerWaalsContact C-N 3.3Å; G286-T288 PolarHBondContact O-N 2.94Å; G286-T289 VanDerWaalsContact O-CB 3.23Å; G286-T289 WeakPolarHBondContact O-CB 3.31Å; G286-T289 PolarHBondContact O-N 3.2Å; G286-T289 PolarHBondContact O-OG1 3.21Å; G286-T289 VanDerWaalsContact O-OG1 3.11Å; G286-T417 WeakPolarHBondContact CA-OG1 3.48Å
287	V	88.9	Confident	85.3	Confident	8 Å²	8	24.2 Å²	24.2	5%	0.048	13%	0.132	C	C	.	.	H	α-helix	trans	-59.5	-42.5	178.7	171.8	0	0	0	0	110.9	F218 Y251 T283 T289 T417 I419	F218-V287 HydrophobicContact CZ-CB 4.4Å; F218-V287 HydrophobicContact CZ-CG1 4.13Å; Y251-V287 HydrophobicContact CD1-CG1 4.49Å; Y251-V287 HydrophobicContact CD1-CG2 4.21Å; Y251-V287 HydrophobicContact CE1-CB 4.43Å; Y251-V287 HydrophobicContact CE1-CG1 3.63Å; Y251-V287 HydrophobicContact CE1-CG2 3.87Å; Y251-V287 HydrophobicContact CE2-CG1 4.18Å; Y251-V287 VanDerWaalsContact CZ-CG1 3.48Å; Y251-V287 WeakPolarHBondContact OH-CG1 3.15Å; T283-V287 HydrophobicContact CG2-CG2 4.44Å; T283-V287 WeakPolarHBondContact O-CG2 3.48Å; T283-V287 PolarHBondContact O-N 2.87Å; V287-T289 VanDerWaalsContact C-N 3.28Å; V287-T289 PolarHBondContact O-N 3.34Å; V287-T417 HydrophobicContact CG2-CG2 3.97Å; V287-I419 HydrophobicContact CB-CD1 4.38Å; V287-I419 HydrophobicContact CG1-CD1 4.08Å; V287-I419 HydrophobicContact CG2-CD1 3.91Å; V287-I419 HydrophobicContact CG2-CG1 4.01Å
288	T	90.6	Very high	83.6	Confident	3 Å²	3	27.9 Å²	27.9	2%	0.018	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-1.5	-177.2	61.1	0	0	0	0	113.8	F71 Y101 M284 S285 G286 C290 L291 R292	F71-T288 HydrophobicContact CE2-CG2 4.33Å; F71-T288 HydrophobicContact CZ-CG2 4.35Å; Y101-T288 WeakPolarHBondContact OH-CG2 3.48Å; M284-T288 WeakPolarHBondContact O-CB 3.34Å; M284-T288 VanDerWaalsContact O-CG2 3.24Å; M284-T288 WeakPolarHBondContact O-CG2 3.38Å; M284-T288 PolarHBondContact O-N 2.9Å; M284-T288 VanDerWaalsContact O-N 3.08Å; M284-T288 PolarHBondContact O-OG1 3.18Å; S285-T288 PolarHBondContact O-N 2.82Å; S285-T288 PolarHBondContact O-OG1 3.16Å; G286-T288 VanDerWaalsContact C-N 3.3Å; G286-T288 PolarHBondContact O-N 2.94Å; T288-C290 VanDerWaalsContact C-N 3.33Å; T288-C290 PolarHBondContact O-N 3.45Å; T288-L291 WeakPolarHBondContact O-CB 3.32Å; T288-L291 PolarHBondContact O-N 3.19Å; T288-L291 VanDerWaalsContact O-N 3.11Å; T288-R292 WeakPolarHBondContact O-CG 3.45Å; T288-R292 PolarHBondContact O-N 3.32Å; T288-R292 VanDerWaalsContact O-N 3.07Å; T288-R292 PolarHBondContact OG1-NE 2.98Å; T288-R292 VanDerWaalsContact OG1-NE 3.11Å
289	T	89.1	Confident	82.4	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.2	-41.6	-176.6	-66.5	0	0	0	0	111.9	S285 G286 V287 L291 R292 F293 V367 R369 C405	S285-T289 PolarHBondContact O-N 3.22Å; S285-T289 VanDerWaalsContact O-N 3.1Å; S285-T289 PolarHBondContact O-OG1 2.73Å; G286-T289 VanDerWaalsContact O-CB 3.23Å; G286-T289 WeakPolarHBondContact O-CB 3.31Å; G286-T289 PolarHBondContact O-N 3.2Å; G286-T289 PolarHBondContact O-OG1 3.21Å; G286-T289 VanDerWaalsContact O-OG1 3.11Å; V287-T289 VanDerWaalsContact C-N 3.28Å; V287-T289 PolarHBondContact O-N 3.34Å; T289-L291 PolarHBondContact O-N 3.16Å; T289-R292 PolarHBondContact O-N 3.39Å; T289-F293 HydrophobicContact CG2-CD2 4.08Å; T289-F293 PolarHBondContact O-N 2.73Å; T289-V367 HydrophobicContact CG2-CG1 4.36Å; T289-R369 HydrophobicContact CG2-CG 3.98Å; T289-R369 WeakPolarHBondContact OG1-CD 3.38Å; T289-R369 PolarHBondContact OG1-NE 3.27Å; T289-R369 PolarHBondContact OG1-NH1 3.41Å; T289-C405 HydrophobicContact CG2-CB 3.62Å
290	C	81.3	Confident	81.5	Confident	21 Å²	21	24.4 Å²	24.4	14%	0.142	14%	0.139	C	C	.	.	H	α-helix	trans	-63.7	-22.5	180	-61.6	0	0	0	0	113.3	R97 T288 A299	R97-C290 PolarHBondContact NH1-O 3.21Å; T288-C290 VanDerWaalsContact C-N 3.33Å; T288-C290 PolarHBondContact O-N 3.45Å; C290-A299 HydrophobicContact CB-CB 4.36Å
291	L	85.1	Confident	80.7	Confident	12 Å²	12	24.8 Å²	24.8	6%	0.063	14%	0.141	C	C	.	.	H	α-helix	trans	-87	-44.9	179.3	-51.7	167.7	0	0	0	110	I55 R97 V100 T288 T289 L301	I55-L291 HydrophobicContact CD1-CD1 3.67Å; R97-L291 VanDerWaalsContact CD-O 3.27Å; R97-L291 WeakPolarHBondContact CD-O 3.22Å; V100-L291 HydrophobicContact CG1-CB 4.37Å; T288-L291 WeakPolarHBondContact O-CB 3.32Å; T288-L291 PolarHBondContact O-N 3.19Å; T288-L291 VanDerWaalsContact O-N 3.11Å; T289-L291 PolarHBondContact O-N 3.16Å; L291-L301 HydrophobicContact CD1-CD2 3.41Å; L291-L301 VanDerWaalsContact CD1-CD2 3.41Å; L291-L301 HydrophobicContact CD1-CG 3.9Å; L291-L301 HydrophobicContact CD2-CD2 4.08Å; L291-L301 HydrophobicContact CD2-CG 3.99Å; L291-L301 HydrophobicContact CG-CD2 4.35Å
292	R	88.1	Confident	80.3	Confident	1 Å²	1	30.8 Å²	30.8	0%	0.004	16%	0.163	C	C	.	.	H	α-helix	trans	-79.2	-25.2	-172.4	-70.8	-174	-57.5	105.6	-1.4	115.2	E78 H79 R97 Y101 S285 T288 T289	E78-R292 IonicContact OE2-CZ 3.68Å; E78-R292 VanDerWaalsContact OE2-CZ 3.25Å; E78-R292 IonicContact OE2-NH1 2.71Å; E78-R292 PolarHBondContact OE2-NH1 3.47Å; E78-R292 IonicContact OE2-NH2 3.84Å; E78-R292 PolarHBondContact OE2-NH2 2.98Å; H79-R292 PolarHBondContact NE2-NH1 2.79Å; R97-R292 WeakPolarHBondContact CB-O 3.48Å; Y101-R292 HydrophobicContact CD2-CG 3.56Å; Y101-R292 HydrophobicContact CE2-CG 3.61Å; S285-R292 PolarHBondContact O-NH2 3.48Å; S285-R292 PolarHBondContact OG-NH2 2.94Å; T288-R292 WeakPolarHBondContact O-CG 3.45Å; T288-R292 PolarHBondContact O-N 3.32Å; T288-R292 VanDerWaalsContact O-N 3.07Å; T288-R292 PolarHBondContact OG1-NE 2.98Å; T288-R292 VanDerWaalsContact OG1-NE 3.11Å; T289-R292 PolarHBondContact O-N 3.39Å
293	F	86.1	Confident	80	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	-125.1	145	-179.4	-62	-65.9	0	0	0	110.8	E78 H79 T289 G295 I407	E78-F293 HydrophobicContact CB-CZ 4.21Å; H79-F293 AromaticContact CE1-CE1 3.58Å; H79-F293 AromaticContact CE1-CZ 3.81Å; H79-F293 AromaticContact ND1-CE1 3.89Å; H79-F293 AromaticContact NE2-CZ 3.99Å; T289-F293 HydrophobicContact CG2-CD2 4.08Å; T289-F293 PolarHBondContact O-N 2.73Å; F293-G295 PolarHBondContact O-N 3.42Å; F293-G295 VanDerWaalsContact O-N 3.17Å; F293-I407 HydrophobicContact CB-CD1 4.38Å; F293-I407 HydrophobicContact CD1-CD1 3.3Å; F293-I407 HydrophobicContact CD1-CG1 4.5Å; F293-I407 HydrophobicContact CE1-CD1 3.6Å; F293-I407 HydrophobicContact CE1-CG2 4.29Å; F293-I407 HydrophobicContact CE2-CG2 4.25Å; F293-I407 HydrophobicContact CG-CD1 3.86Å; F293-I407 HydrophobicContact CZ-CD1 4.37Å; F293-I407 HydrophobicContact CZ-CG2 4.04Å
294	P	77.1	Confident	79.6	Confident	49 Å²	49	35.8 Å²	35.8	32%	0.318	18%	0.183	S	C	.	.			trans	-64.3	117.8	170.5	27.8	-33.1	0	0	0	109.1	L93 D96	L93-P294 HydrophobicContact CD2-CG 3.93Å; D96-P294 HydrophobicContact CB-CG 4.37Å
295	G	69	Low	79.3	Confident	19 Å²	19	36.3 Å²	36.3	20%	0.196	19%	0.187	C	C	.	.			trans	-116.6	158.3	173.8	0	0	0	0	0	110.9	F293 L297 N298	F293-G295 PolarHBondContact O-N 3.42Å; F293-G295 VanDerWaalsContact O-N 3.17Å; G295-L297 PolarHBondContact O-N 2.66Å; G295-N298 PolarHBondContact O-OD1 3.11Å
296	Q	59.6	Low	79.1	Confident	149 Å²	149	41.5 Å²	41.5	70%	0.696	22%	0.219	S	C	*	.	S	Bend	trans	-64.8	-28.8	177.1	-63.1	-167.2	6.5	0	0	112	N298 M374	Q296-N298 PolarHBondContact O-N 3.14Å; Q296-M374 HydrophobicContact CB-CE 4.15Å; Q296-M374 HydrophobicContact CG-CE 3.83Å; Q296-M374 PolarHBondContact OE1-SD 3.48Å
297	L	63.3	Low	79	Confident	82 Å²	82	44.8 Å²	44.8	43%	0.429	24%	0.236	S	C	.	.	S	Bend	trans	-92.5	91.4	166.7	-155.4	92.7	0	0	0	109	G295 A299 A403	G295-L297 PolarHBondContact O-N 2.66Å; L297-A299 VanDerWaalsContact C-N 3.31Å; L297-A299 PolarHBondContact O-N 3.21Å; L297-A403 HydrophobicContact CB-CB 4.27Å; L297-A403 HydrophobicContact CD2-CB 4.09Å
298	N	56.5	Low	79	Confident	91 Å²	91	44.4 Å²	44.4	49%	0.487	23%	0.234	S	C	.	.			trans	-67.5	90.8	171.5	-74.5	-46.4	0	0	0	109.3	R97 G295 Q296 K303	R97-N298 PolarHBondContact NH2-OD1 2.94Å; G295-N298 PolarHBondContact O-OD1 3.11Å; Q296-N298 PolarHBondContact O-N 3.14Å; N298-K303 PolarHBondContact O-NZ 3.21Å; N298-K303 VanDerWaalsContact O-NZ 3.16Å
299	A	62.9	Low	79.1	Confident	14 Å²	14	45.6 Å²	45.6	12%	0.116	24%	0.241	C	C	.	.			trans	-103.5	115.6	173.3	0	0	0	0	0	108.8	C290 L297	C290-A299 HydrophobicContact CB-CB 4.36Å; L297-A299 VanDerWaalsContact C-N 3.31Å; L297-A299 PolarHBondContact O-N 3.21Å
300	D	70.6	Confident	79.1	Confident	41 Å²	41	48 Å²	48	22%	0.219	26%	0.257	C	S	.	.			trans	-85.1	170.6	164.3	55.9	35.3	0	0	0	109.7	R53 R302 K303 L304	R53-D300 IonicContact CZ-OD2 3.81Å; R53-D300 VanDerWaalsContact NH1-CG 3.29Å; R53-D300 IonicContact NH1-OD2 2.66Å; R53-D300 PolarHBondContact NH1-OD2 3.49Å; D300-R302 VanDerWaalsContact C-N 3.27Å; D300-R302 PolarHBondContact O-N 3.13Å; D300-R302 PolarHBondContact OD1-N 3.29Å; D300-K303 PolarHBondContact O-N 2.96Å; D300-K303 WeakPolarHBondContact OD1-CA 3.44Å; D300-K303 WeakPolarHBondContact OD1-CB 3.07Å; D300-K303 PolarHBondContact OD1-N 3.43Å; D300-L304 PolarHBondContact O-N 2.94Å
301	L	77.4	Confident	79.6	Confident	8 Å²	8	49.4 Å²	49.4	4%	0.042	26%	0.26	C	S	.	.	H	α-helix	trans	-57.5	-42.4	179.2	-76.2	-178.5	0	0	0	111.9	I55 Q182 I214 N216 L291 K303 L304 A305	I55-L301 HydrophobicContact CD1-CD1 3.68Å; I55-L301 HydrophobicContact CD1-CG 4.17Å; I55-L301 HydrophobicContact CG1-CD1 3.93Å; Q182-L301 HydrophobicContact CB-CD1 4.23Å; I214-L301 HydrophobicContact CB-CB 4.45Å; I214-L301 HydrophobicContact CG2-CB 4.19Å; N216-L301 WeakPolarHBondContact ND2-CD2 3.41Å; L291-L301 HydrophobicContact CD1-CD2 3.41Å; L291-L301 VanDerWaalsContact CD1-CD2 3.41Å; L291-L301 HydrophobicContact CD1-CG 3.9Å; L291-L301 HydrophobicContact CD2-CD2 4.08Å; L291-L301 HydrophobicContact CD2-CG 3.99Å; L291-L301 HydrophobicContact CG-CD2 4.35Å; L301-K303 PolarHBondContact O-N 2.91Å; L301-L304 WeakPolarHBondContact O-CB 3.32Å; L301-L304 PolarHBondContact O-N 3.46Å; L301-A305 PolarHBondContact O-N 3.33Å
302	R	83.8	Confident	79.8	Confident	127 Å²	127	54.1 Å²	54.1	48%	0.479	29%	0.292	S	S	.	.	H	α-helix	trans	-64.4	-39.5	-179.2	-177.3	171.4	-66.1	-74.6	-0	112.5	D212 I214 D300 A305 V306	D212-R302 PolarHBondContact O-NH2 3.36Å; I214-R302 HydrophobicContact CD1-CB 4.36Å; I214-R302 HydrophobicContact CD1-CG 4.47Å; I214-R302 HydrophobicContact CG1-CB 4.15Å; D300-R302 VanDerWaalsContact C-N 3.27Å; D300-R302 PolarHBondContact O-N 3.13Å; D300-R302 PolarHBondContact OD1-N 3.29Å; R302-A305 PolarHBondContact O-N 3.18Å; R302-V306 HydrophobicContact CG-CG2 4.49Å; R302-V306 WeakPolarHBondContact O-CB 3.49Å; R302-V306 WeakPolarHBondContact O-CG2 3.45Å; R302-V306 PolarHBondContact O-N 2.84Å
303	K	84.3	Confident	80	Confident	94 Å²	94	57.9 Å²	57.9	41%	0.409	31%	0.306	S	S	.	.	H	α-helix	trans	-74.6	-31.6	179.1	-173.9	174.1	-179.2	-174.7	0	110.7	N298 D300 L301 N307	N298-K303 PolarHBondContact O-NZ 3.21Å; N298-K303 VanDerWaalsContact O-NZ 3.16Å; D300-K303 PolarHBondContact O-N 2.96Å; D300-K303 WeakPolarHBondContact OD1-CA 3.44Å; D300-K303 WeakPolarHBondContact OD1-CB 3.07Å; D300-K303 PolarHBondContact OD1-N 3.43Å; L301-K303 PolarHBondContact O-N 2.91Å; K303-N307 WeakPolarHBondContact O-CB 3.5Å; K303-N307 PolarHBondContact O-N 3.01Å; K303-N307 PolarHBondContact O-ND2 3.45Å
304	L	83.1	Confident	80.4	Confident	31 Å²	31	57.9 Å²	57.9	16%	0.162	31%	0.306	C	S	.	.	H	α-helix	trans	-62	-51.6	167.8	-174.2	64.1	0	0	0	109.7	Y251 D300 L301 V306 N307 M308 A365 I419	Y251-L304 WeakPolarHBondContact OH-CD2 3.33Å; D300-L304 PolarHBondContact O-N 2.94Å; L301-L304 WeakPolarHBondContact O-CB 3.32Å; L301-L304 PolarHBondContact O-N 3.46Å; L304-V306 PolarHBondContact O-N 3.43Å; L304-N307 PolarHBondContact O-N 3.48Å; L304-N307 VanDerWaalsContact O-N 3.09Å; L304-M308 HydrophobicContact CD1-CG 3.85Å; L304-M308 HydrophobicContact CG-CG 4.25Å; L304-M308 WeakPolarHBondContact O-CB 3.46Å; L304-M308 VanDerWaalsContact O-CG 3.3Å; L304-M308 WeakPolarHBondContact O-CG 3.22Å; L304-M308 PolarHBondContact O-N 3.08Å; L304-A365 HydrophobicContact CD1-CB 4.35Å; L304-I419 HydrophobicContact CD2-CD1 4.49Å
305	A	86.4	Confident	81.2	Confident	11 Å²	11	55.6 Å²	55.6	9%	0.091	29%	0.291	C	S	.	.	H	α-helix	trans	-55.9	-50.3	179.3	0	0	0	0	0	112	I214 E249 L301 R302 N307 M308 V309	I214-A305 HydrophobicContact CD1-CB 4.45Å; E249-A305 HydrophobicContact CG-CB 4.12Å; E249-A305 WeakPolarHBondContact OE1-CA 3.31Å; E249-A305 VanDerWaalsContact OE1-CB 3.25Å; E249-A305 WeakPolarHBondContact OE1-CB 3.3Å; E249-A305 PolarHBondContact OE1-N 3.24Å; L301-A305 PolarHBondContact O-N 3.33Å; R302-A305 PolarHBondContact O-N 3.18Å; A305-N307 VanDerWaalsContact C-N 3.26Å; A305-N307 PolarHBondContact O-N 2.91Å; A305-M308 PolarHBondContact O-N 3.36Å; A305-M308 VanDerWaalsContact O-N 3.1Å; A305-V309 WeakPolarHBondContact O-CB 3.36Å; A305-V309 PolarHBondContact O-N 3.21Å
306	V	88.1	Confident	82.5	Confident	111 Å²	111	54.8 Å²	54.8	67%	0.673	28%	0.282	S	S	*	.	H	α-helix	trans	-61.2	-32.1	179.5	169.7	0	0	0	0	112.8	R302 L304	R302-V306 HydrophobicContact CG-CG2 4.49Å; R302-V306 WeakPolarHBondContact O-CB 3.49Å; R302-V306 WeakPolarHBondContact O-CG2 3.45Å; R302-V306 PolarHBondContact O-N 2.84Å; L304-V306 PolarHBondContact O-N 3.43Å
307	N	88.4	Confident	84.2	Confident	68 Å²	68	47.7 Å²	47.7	36%	0.364	25%	0.249	S	C	.	.	H	α-helix	trans	-83.3	-23.7	177.5	-76.8	-62.4	0	0	0	113.2	K303 L304 A305 T363 K401	K303-N307 WeakPolarHBondContact O-CB 3.5Å; K303-N307 PolarHBondContact O-N 3.01Å; K303-N307 PolarHBondContact O-ND2 3.45Å; L304-N307 PolarHBondContact O-N 3.48Å; L304-N307 VanDerWaalsContact O-N 3.09Å; A305-N307 VanDerWaalsContact C-N 3.26Å; A305-N307 PolarHBondContact O-N 2.91Å; N307-T363 WeakPolarHBondContact O-CG2 3.4Å; N307-K401 HydrophobicContact CB-CG 4.44Å
308	M	88.8	Confident	85.7	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-103	-25.3	-171.3	-69.1	-59.2	-61	0	0	113.6	L304 A305 P310 F317 T363 A365 I419 N421	L304-M308 HydrophobicContact CD1-CG 3.85Å; L304-M308 HydrophobicContact CG-CG 4.25Å; L304-M308 WeakPolarHBondContact O-CB 3.46Å; L304-M308 VanDerWaalsContact O-CG 3.3Å; L304-M308 WeakPolarHBondContact O-CG 3.22Å; L304-M308 PolarHBondContact O-N 3.08Å; A305-M308 PolarHBondContact O-N 3.36Å; A305-M308 VanDerWaalsContact O-N 3.1Å; M308-P310 WeakPolarHBondContact O-CD 3.44Å; M308-F317 HydrophobicContact CB-CE1 3.8Å; M308-F317 HydrophobicContact CB-CE2 4.33Å; M308-F317 HydrophobicContact CB-CZ 3.48Å; M308-F317 VanDerWaalsContact CB-CZ 3.48Å; M308-F317 HydrophobicContact CE-CD1 4.44Å; M308-F317 HydrophobicContact CE-CE1 4.32Å; M308-F317 HydrophobicContact CG-CZ 4.42Å; M308-T363 WeakPolarHBondContact CA-OG1 3.25Å; M308-T363 WeakPolarHBondContact CE-OG1 3.49Å; M308-T363 PolarHBondContact O-OG1 3.45Å; M308-A365 HydrophobicContact CE-CB 4.25Å; M308-A365 HydrophobicContact CG-CB 4.47Å; M308-A365 HydrophobicContact SD-CB 3.53Å; M308-A365 VanDerWaalsContact SD-CB 3.53Å; M308-I419 HydrophobicContact CE-CB 4.3Å; M308-I419 HydrophobicContact CE-CG2 3.91Å; M308-I419 VanDerWaalsContact CE-O 3.28Å; M308-I419 WeakPolarHBondContact CE-O 3.28Å; M308-N421 HydrophobicContact CE-CB 4.42Å; M308-N421 PolarHBondContact O-ND2 3.3Å
309	V	92.6	Very high	87.5	Confident	28 Å²	28	39.4 Å²	39.4	17%	0.17	21%	0.205	C	C	.	.			trans	-111.3	93.3	-174.5	-174	0	0	0	0	109.3	A305 F311 H315 F317	A305-V309 WeakPolarHBondContact O-CB 3.36Å; A305-V309 PolarHBondContact O-N 3.21Å; V309-F311 WeakPolarHBondContact CG1-O 3.2Å; V309-H315 HydrophobicContact CG1-CB 3.94Å; V309-H315 HydrophobicContact CG2-CB 3.86Å; V309-F317 HydrophobicContact CG2-CE1 4.12Å; V309-F317 HydrophobicContact CG2-CZ 3.64Å
310	P	89.4	Confident	88.9	Confident	50 Å²	50	38.8 Å²	38.8	33%	0.325	20%	0.2	S	C	.	.	S	Bend	trans	-71.3	-34.3	174.5	27.8	-32.9	0	0	0	111.9	M308 L362 I396	M308-P310 WeakPolarHBondContact O-CD 3.44Å; P310-L362 HydrophobicContact CG-CB 4.31Å; P310-L362 HydrophobicContact CG-CD1 4.37Å; P310-I396 HydrophobicContact CB-CD1 4.11Å; P310-I396 HydrophobicContact CG-CD1 4.21Å
311	F	91.4	Very high	90	Very high	51 Å²	51	37.4 Å²	37.4	22%	0.224	19%	0.192	C	C	.	.	S	Bend	trans	-125.3	134.1	-179.1	-57.5	-70.7	0	0	0	110.5	V309 R313 L314 W395 Y476	V309-F311 WeakPolarHBondContact CG1-O 3.2Å; F311-R313 VanDerWaalsContact C-N 3.3Å; F311-R313 PolarHBondContact O-N 2.92Å; F311-R313 VanDerWaalsContact O-N 3.16Å; F311-L314 HydrophobicContact CB-CB 4.29Å; F311-L314 HydrophobicContact CB-CD1 4.31Å; F311-L314 HydrophobicContact CB-CG 4.15Å; F311-L314 HydrophobicContact CD2-CD1 3.98Å; F311-L314 PolarHBondContact O-N 2.83Å; F311-W395 AromaticContact CE2-CH2 3.5Å; F311-W395 HydrophobicContact CE2-CH2 3.5Å; F311-W395 HydrophobicContact CE2-CZ2 4.23Å; F311-W395 HydrophobicContact CE2-CZ3 4.26Å; F311-W395 AromaticContact CZ-CH2 3.8Å; F311-W395 HydrophobicContact CZ-CH2 3.8Å; F311-W395 HydrophobicContact CZ-CZ3 4.17Å; F311-Y476 HydrophobicContact CD2-CD1 4.46Å; F311-Y476 HydrophobicContact CD2-CD2 4.26Å; F311-Y476 HydrophobicContact CD2-CE1 4.09Å; F311-Y476 AromaticContact CD2-CE2 3.86Å; F311-Y476 HydrophobicContact CD2-CE2 3.86Å; F311-Y476 AromaticContact CD2-CZ 3.76Å; F311-Y476 AromaticContact CE1-CE1 3.93Å; F311-Y476 HydrophobicContact CE1-CE1 3.93Å; F311-Y476 AromaticContact CE1-CZ 3.78Å; F311-Y476 WeakPolarHBondContact CE1-OH 3.37Å; F311-Y476 AromaticContact CE2-CD1 3.59Å; F311-Y476 HydrophobicContact CE2-CD1 3.59Å; F311-Y476 HydrophobicContact CE2-CD2 4.16Å; F311-Y476 AromaticContact CE2-CE1 3.26Å; F311-Y476 HydrophobicContact CE2-CE1 3.26Å; F311-Y476 AromaticContact CE2-CE2 3.87Å; F311-Y476 HydrophobicContact CE2-CE2 3.87Å; F311-Y476 HydrophobicContact CE2-CG 4.03Å; F311-Y476 AromaticContact CE2-CZ 3.4Å; F311-Y476 VanDerWaalsContact CE2-CZ 3.4Å; F311-Y476 HydrophobicContact CG-CE2 4.26Å; F311-Y476 AromaticContact CZ-CD1 3.91Å; F311-Y476 HydrophobicContact CZ-CD1 3.91Å; F311-Y476 AromaticContact CZ-CE1 3.19Å; F311-Y476 HydrophobicContact CZ-CE1 3.19Å; F311-Y476 HydrophobicContact CZ-CE2 4.35Å; F311-Y476 AromaticContact CZ-CZ 3.45Å; F311-Y476 VanDerWaalsContact CZ-CZ 3.45Å
312	P	88.6	Confident	90.6	Very high	111 Å²	111	37 Å²	37	72%	0.721	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-36.8	-171.6	-28.9	35.3	0	0	0	115.3	H315	P312-H315 PolarHBondContact O-ND1 2.82Å
313	R	92.3	Very high	90.9	Very high	80 Å²	80	31.3 Å²	31.3	30%	0.302	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-22.3	-179.9	-63.7	177.4	75.5	174.2	5	113.4	V244 F311 H315 N465 L469 E472	V244-R313 HydrophobicContact CG1-CB 4.25Å; V244-R313 HydrophobicContact CG1-CG 4.13Å; F311-R313 VanDerWaalsContact C-N 3.3Å; F311-R313 PolarHBondContact O-N 2.92Å; F311-R313 VanDerWaalsContact O-N 3.16Å; R313-H315 VanDerWaalsContact C-N 3.32Å; R313-H315 PolarHBondContact O-N 2.96Å; R313-N465 PolarHBondContact NH2-OD1 3.5Å; R313-L469 HydrophobicContact CB-CD1 4.42Å; R313-E472 WeakPolarHBondContact CB-OE2 3.46Å; R313-E472 WeakPolarHBondContact CD-OE1 3.47Å; R313-E472 IonicContact CZ-OE1 2.71Å; R313-E472 IonicContact NE-OE1 3.68Å; R313-E472 PolarHBondContact NE-OE1 3.32Å; R313-E472 IonicContact NE-OE2 3.02Å; R313-E472 IonicContact NH1-OE1 3.55Å; R313-E472 PolarHBondContact NH1-OE1 3.33Å
314	L	94.4	Very high	90.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.152	C	C	.	.			trans	-95.1	57.5	-175.7	-53.3	-170.8	0	0	0	111.2	F311 L362 N421 L469 E472 Y473 Y476	F311-L314 HydrophobicContact CB-CB 4.29Å; F311-L314 HydrophobicContact CB-CD1 4.31Å; F311-L314 HydrophobicContact CB-CG 4.15Å; F311-L314 HydrophobicContact CD2-CD1 3.98Å; F311-L314 PolarHBondContact O-N 2.83Å; L314-L362 HydrophobicContact CD1-CD1 4.2Å; L314-N421 PolarHBondContact O-ND2 2.85Å; L314-L469 HydrophobicContact CD2-CD1 3.85Å; L314-E472 HydrophobicContact CD2-CB 4.09Å; L314-Y473 HydrophobicContact CB-CE1 4.03Å; L314-Y473 HydrophobicContact CD1-CD1 4.25Å; L314-Y473 HydrophobicContact CD1-CE1 4.25Å; L314-Y473 HydrophobicContact CD2-CD1 3.99Å; L314-Y473 HydrophobicContact CD2-CD2 3.92Å; L314-Y473 HydrophobicContact CD2-CE1 3.8Å; L314-Y473 HydrophobicContact CD2-CE2 3.7Å; L314-Y473 HydrophobicContact CD2-CG 4.06Å; L314-Y473 HydrophobicContact CG-CE1 4.24Å; L314-Y476 HydrophobicContact CD1-CD2 3.43Å; L314-Y476 VanDerWaalsContact CD1-CD2 3.43Å; L314-Y476 HydrophobicContact CD1-CE2 3.72Å; L314-Y476 HydrophobicContact CD1-CG 4.41Å
315	H	95.1	Very high	90.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.151	C	C	.	.			trans	-109.5	16.6	-177.7	61	-99.8	0	0	0	113.7	L243 V244 T247 D248 T250 V309 P312 R313	L243-H315 PolarHBondContact O-NE2 3.47Å; V244-H315 PolarHBondContact O-CE1 3.5Å; T247-H315 PolarHBondContact O-CE1 3.04Å; T247-H315 PolarHBondContact O-NE2 3.08Å; T247-H315 PolarHBondContact OG1-CD2 3.12Å; T247-H315 PolarHBondContact OG1-NE2 3.45Å; D248-H315 WeakPolarHBondContact O-CB 3.42Å; T250-H315 PolarHBondContact N-O 3.41Å; V309-H315 HydrophobicContact CG1-CB 3.94Å; V309-H315 HydrophobicContact CG2-CB 3.86Å; P312-H315 PolarHBondContact O-ND1 2.82Å; R313-H315 VanDerWaalsContact C-N 3.32Å; R313-H315 PolarHBondContact O-N 2.96Å
316	F	96.3	Very high	89.8	Confident	2 Å²	2	27.3 Å²	27.3	1%	0.009	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	115.6	175.4	-61.4	-84	0	0	0	110.8	V240 L243 V244 T250 I425 F429 L469	V240-F316 HydrophobicContact CG1-CZ 4.26Å; L243-F316 HydrophobicContact CB-CE1 4.24Å; L243-F316 HydrophobicContact CB-CZ 4.27Å; V244-F316 HydrophobicContact CG2-CE2 3.76Å; V244-F316 HydrophobicContact CG2-CZ 3.71Å; T250-F316 HydrophobicContact CG2-CD1 3.62Å; T250-F316 HydrophobicContact CG2-CE1 3.8Å; T250-F316 CarbonylContact O-C 3.46Å; T250-F316 WeakPolarHBondContact O-CA 3.43Å; F316-I425 HydrophobicContact CB-CG1 4.33Å; F316-F429 HydrophobicContact CB-CE2 4.32Å; F316-F429 HydrophobicContact CB-CZ 4.13Å; F316-F429 AromaticContact CD1-CZ 3.78Å; F316-F429 HydrophobicContact CD1-CZ 3.78Å; F316-F429 HydrophobicContact CD2-CE2 4.17Å; F316-F429 AromaticContact CD2-CZ 3.84Å; F316-F429 HydrophobicContact CD2-CZ 3.84Å; F316-F429 HydrophobicContact CE1-CZ 4.12Å; F316-F429 HydrophobicContact CE2-CZ 4.19Å; F316-F429 HydrophobicContact CG-CE2 4.14Å; F316-F429 AromaticContact CG-CZ 3.62Å; F316-F429 HydrophobicContact CG-CZ 3.62Å; F316-F429 HydrophobicContact CZ-CZ 4.32Å; F316-L469 HydrophobicContact CD2-CD2 4.13Å; F316-L469 HydrophobicContact CE2-CD1 4.27Å; F316-L469 HydrophobicContact CE2-CD2 3.7Å; F316-L469 HydrophobicContact CZ-CD2 4.41Å
317	F	95.6	Very high	88.9	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	144.9	-177.9	-56.1	-38.8	0	0	0	112.3	E249 T250 Y251 C252 M308 V309 P319 I419 G420 N421	E249-F317 HydrophobicContact CB-CD2 4.39Å; E249-F317 HydrophobicContact CB-CE2 3.7Å; E249-F317 HydrophobicContact CB-CZ 4.45Å; E249-F317 HydrophobicContact CG-CE2 3.71Å; E249-F317 HydrophobicContact CG-CZ 4.17Å; T250-F317 PolarHBondContact O-N 3.14Å; Y251-F317 HydrophobicContact CD1-CB 4.24Å; Y251-F317 HydrophobicContact CD1-CD2 4.13Å; Y251-F317 AromaticContact CE1-CD2 3.75Å; Y251-F317 HydrophobicContact CE1-CD2 3.75Å; Y251-F317 HydrophobicContact CE2-CD2 4.39Å; Y251-F317 AromaticContact CZ-CD2 3.86Å; C252-F317 WeakPolarHBondContact CB-O 3.49Å; C252-F317 PolarHBondContact N-O 3.26Å; M308-F317 HydrophobicContact CB-CE1 3.8Å; M308-F317 HydrophobicContact CB-CE2 4.33Å; M308-F317 HydrophobicContact CB-CZ 3.48Å; M308-F317 VanDerWaalsContact CB-CZ 3.48Å; M308-F317 HydrophobicContact CE-CD1 4.44Å; M308-F317 HydrophobicContact CE-CE1 4.32Å; M308-F317 HydrophobicContact CG-CZ 4.42Å; V309-F317 HydrophobicContact CG2-CE1 4.12Å; V309-F317 HydrophobicContact CG2-CZ 3.64Å; F317-P319 WeakPolarHBondContact O-CD 3.28Å; F317-I419 HydrophobicContact CB-CG2 3.75Å; F317-I419 HydrophobicContact CD1-CG2 4.41Å; F317-I419 HydrophobicContact CD2-CG2 3.77Å; F317-I419 HydrophobicContact CE2-CG2 4.46Å; F317-I419 HydrophobicContact CG-CG2 3.73Å; F317-G420 WeakPolarHBondContact CA-O 3.33Å; F317-N421 HydrophobicContact CD1-CB 3.88Å; F317-N421 HydrophobicContact CE1-CB 3.99Å
318	M	94.1	Very high	87.8	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	105.5	166.9	-65.1	179.5	67	0	0	108.9	M350 A352 C354 P356 G420 I425	M318-M350 HydrophobicContact CE-CB 4.34Å; M318-M350 HydrophobicContact CE-CG 4.28Å; M318-A352 HydrophobicContact CB-CB 4.4Å; M318-A352 HydrophobicContact CE-CB 4.19Å; M318-A352 HydrophobicContact CG-CB 4.08Å; M318-C354 HydrophobicContact CE-CB 3.63Å; M318-C354 HydrophobicContact SD-CB 4.33Å; M318-P356 HydrophobicContact CE-CG 4.23Å; M318-G420 PolarHBondContact N-O 2.88Å; M318-G420 PolarHBondContact O-N 3.19Å; M318-I425 HydrophobicContact CG-CB 4.33Å; M318-I425 HydrophobicContact CG-CD1 3.56Å; M318-I425 HydrophobicContact CG-CG1 4.45Å; M318-I425 HydrophobicContact SD-CB 4.43Å; M318-I425 HydrophobicContact SD-CD1 4.41Å
319	P	94.3	Very high	87	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	151.2	174.4	15.2	-5.1	0	0	0	110.8	C252 I253 T283 F317 M351 F418	C252-P319 WeakPolarHBondContact O-CD 3.17Å; C252-P319 WeakPolarHBondContact O-CG 3.21Å; I253-P319 HydrophobicContact CG1-CG 4.27Å; T283-P319 HydrophobicContact CG2-CB 3.45Å; T283-P319 VanDerWaalsContact CG2-CB 3.45Å; T283-P319 HydrophobicContact CG2-CG 4.29Å; F317-P319 WeakPolarHBondContact O-CD 3.28Å; P319-M351 HydrophobicContact CB-CB 4.32Å; P319-M351 HydrophobicContact CB-CG 4.5Å; P319-M351 HydrophobicContact CG-CB 4.01Å; P319-M351 WeakPolarHBondContact O-CB 3.27Å; P319-M351 PolarHBondContact O-N 2.96Å; P319-F418 CarbonylContact C-O 3.46Å; P319-F418 WeakPolarHBondContact CA-O 3.4Å
320	G	92.8	Very high	85.9	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	155.3	169.4	0	0	0	0	0	110.7	F418	G320-F418 PolarHBondContact N-O 2.52Å; G320-F418 PolarHBondContact O-N 3.22Å
321	F	92.2	Very high	84.7	Confident	13 Å²	13	44 Å²	44	6%	0.057	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	141.4	176.6	-174.4	-95.2	0	0	0	110.8	A282 L324 N349 M351 L412 A415	A282-F321 HydrophobicContact CB-CD2 4.39Å; A282-F321 HydrophobicContact CB-CE1 4.37Å; A282-F321 HydrophobicContact CB-CE2 4.2Å; A282-F321 HydrophobicContact CB-CZ 4.2Å; F321-L324 HydrophobicContact CD1-CD2 3.98Å; F321-L324 WeakPolarHBondContact O-CG 3.48Å; F321-N349 PolarHBondContact O-ND2 3.45Å; F321-M351 HydrophobicContact CB-CE 3.73Å; F321-L412 HydrophobicContact CE1-CD1 4.32Å; F321-L412 HydrophobicContact CZ-CD1 4.11Å; F321-A415 HydrophobicContact CE2-CB 4.14Å; F321-A415 HydrophobicContact CZ-CB 3.93Å
322	A	91.4	Very high	83.7	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	146	169.1	0	0	0	0	0	109.8	L340 Q343 V344 A415 V416	A322-L340 HydrophobicContact CB-CD2 4.12Å; A322-Q343 HydrophobicContact CB-CB 4.22Å; A322-Q343 HydrophobicContact CB-CG 4.38Å; A322-V344 HydrophobicContact CB-CG2 3.63Å; A322-A415 CarbonylContact O-C 3.53Å; A322-A415 VanDerWaalsContact O-CA 3.28Å; A322-A415 WeakPolarHBondContact O-CA 3.47Å; A322-V416 PolarHBondContact N-O 2.98Å; A322-V416 PolarHBondContact O-N 3.05Å
323	P	89.9	Confident	82.8	Confident	7 Å²	7	50.6 Å²	50.6	5%	0.045	24%	0.239	C	C	.	.			cis	-85	140.1	2.7	33	-34.9	0	0	0	113.5	T325 L335 L340 L412	P323-T325 HydrophobicContact CB-CG2 4.3Å; P323-L335 HydrophobicContact CB-CD1 4.43Å; P323-L335 HydrophobicContact CB-CD2 3.47Å; P323-L335 VanDerWaalsContact CB-CD2 3.47Å; P323-L335 HydrophobicContact CG-CD1 3.85Å; P323-L335 HydrophobicContact CG-CD2 3.81Å; P323-L340 HydrophobicContact CB-CD2 4.17Å; P323-L340 HydrophobicContact CG-CD2 4.38Å; P323-L412 HydrophobicContact CG-CD1 4.31Å; P323-L412 HydrophobicContact CG-CD2 4.04Å
324	L	84.4	Confident	81.7	Confident	7 Å²	7	50.1 Å²	50.1	4%	0.037	25%	0.252	C	S	.	.			trans	-102.9	96.5	164.6	-62.4	174.9	0	0	0	108.2	I261 T265 L279 F321 Q343 N349 M351	I261-L324 HydrophobicContact CD1-CD1 4.1Å; I261-L324 HydrophobicContact CG1-CD1 4.4Å; I261-L324 HydrophobicContact CG2-CD1 3.77Å; T265-L324 HydrophobicContact CG2-CB 4.12Å; L279-L324 HydrophobicContact CD2-CD2 3.53Å; F321-L324 HydrophobicContact CD1-CD2 3.98Å; F321-L324 WeakPolarHBondContact O-CG 3.48Å; L324-Q343 PolarHBondContact O-NE2 3.33Å; L324-N349 HydrophobicContact CD1-CB 4.37Å; L324-N349 VanDerWaalsContact CD1-ND2 3.35Å; L324-N349 WeakPolarHBondContact CD1-ND2 3.37Å; L324-M351 HydrophobicContact CD1-CE 4.41Å; L324-M351 HydrophobicContact CD2-CE 4.42Å
325	T	72.3	Confident	81.1	Confident	25 Å²	25	52.3 Å²	52.3	15%	0.153	26%	0.263	C	S	.	.			trans	-125.2	135.8	179.5	53.9	0	0	0	0	110.5	P323	P323-T325 HydrophobicContact CB-CG2 4.3Å
326	S	73.4	Confident	80.9	Confident	19 Å²	19	54.9 Å²	54.9	13%	0.133	28%	0.279	C	S	.	.			trans	-62.2	151.4	171.8	69.8	0	0	0	0	110.9	L266 G328 S329 Q330	L266-S326 VanDerWaalsContact O-CB 3.24Å; L266-S326 WeakPolarHBondContact O-CB 3.44Å; S326-G328 PolarHBondContact O-N 3.31Å; S326-G328 VanDerWaalsContact O-N 3.12Å; S326-S329 PolarHBondContact O-N 3.36Å; S326-S329 WeakPolarHBondContact OG-CB 3.32Å; S326-S329 PolarHBondContact OG-N 3.02Å; S326-S329 PolarHBondContact OG-OG 3.39Å; S326-Q330 PolarHBondContact O-N 3.25Å; S326-Q330 VanDerWaalsContact O-N 3.08Å
327	R	68.6	Low	80.6	Confident	221 Å²	221	55 Å²	55	83%	0.834	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-33.1	179.6	-64.7	-177.6	-178	179.8	1.8	112.9
328	G	65.9	Low	80.5	Confident	57 Å²	57	56.9 Å²	56.9	59%	0.588	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-28.9	178.2	0	0	0	0	0	114.4	S326 Y332	S326-G328 PolarHBondContact O-N 3.31Å; S326-G328 VanDerWaalsContact O-N 3.12Å; G328-Y332 WeakPolarHBondContact O-CD2 3.44Å; G328-Y332 WeakPolarHBondContact O-CE2 3.28Å
329	S	71.4	Confident	80.3	Confident	65 Å²	65	59.7 Å²	59.7	46%	0.455	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-12.9	-178.8	-62.3	0	0	0	0	113.6	S326 Q331 Y332 R333	S326-S329 PolarHBondContact O-N 3.36Å; S326-S329 WeakPolarHBondContact OG-CB 3.32Å; S326-S329 PolarHBondContact OG-N 3.02Å; S326-S329 PolarHBondContact OG-OG 3.39Å; S329-Q331 VanDerWaalsContact C-N 3.27Å; S329-Q331 PolarHBondContact O-N 2.85Å; S329-Y332 PolarHBondContact O-N 3.39Å; S329-Y332 VanDerWaalsContact O-N 3.16Å; S329-R333 PolarHBondContact O-N 3.19Å
330	Q	69.8	Low	80.1	Confident	91 Å²	91	59.7 Å²	59.7	43%	0.425	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-32.1	-175.7	-168.1	177.5	-1.1	0	0	113.4	S326	S326-Q330 PolarHBondContact O-N 3.25Å; S326-Q330 VanDerWaalsContact O-N 3.08Å
331	Q	65.6	Low	80	Confident	174 Å²	174	59.8 Å²	59.8	81%	0.813	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-20.2	179.9	-65	-175.8	3.9	0	0	113.8	S329	S329-Q331 VanDerWaalsContact C-N 3.27Å; S329-Q331 PolarHBondContact O-N 2.85Å
332	Y	69.6	Low	79.9	Confident	196 Å²	196	66.3 Å²	66.3	77%	0.769	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-10.7	-172.6	-59.9	-75.6	0	0	0	113.5	G328 S329	G328-Y332 WeakPolarHBondContact O-CD2 3.44Å; G328-Y332 WeakPolarHBondContact O-CE2 3.28Å; S329-Y332 PolarHBondContact O-N 3.39Å; S329-Y332 VanDerWaalsContact O-N 3.16Å
333	R	69.8	Low	79.8	Confident	106 Å²	106	67 Å²	67	40%	0.4	34%	0.34	S	S	.	.			trans	-102.7	120	-176.6	-162.7	173	-174.5	168.1	3.1	111	S329 L335 E339	S329-R333 PolarHBondContact O-N 3.19Å; R333-L335 PolarHBondContact O-N 3.23Å; R333-E339 IonicContact CZ-OE2 2.8Å; R333-E339 IonicContact NE-OE2 2.73Å; R333-E339 PolarHBondContact NE-OE2 3.25Å; R333-E339 IonicContact NH2-OE2 3.98Å
334	A	69.6	Low	79.8	Confident	70 Å²	70	66.8 Å²	66.8	58%	0.579	34%	0.339	S	S	*	.			trans	-79.9	102.3	172.1	0	0	0	0	0	109.1	T336	A334-T336 PolarHBondContact O-N 2.99Å
335	L	81.8	Confident	80	Confident	45 Å²	45	67.8 Å²	67.8	24%	0.236	34%	0.343	C	S	.	.			trans	-66.7	121	175.2	-65.6	167.1	0	0	0	109.2	P323 R333 L340 M414	P323-L335 HydrophobicContact CB-CD1 4.43Å; P323-L335 HydrophobicContact CB-CD2 3.47Å; P323-L335 VanDerWaalsContact CB-CD2 3.47Å; P323-L335 HydrophobicContact CG-CD1 3.85Å; P323-L335 HydrophobicContact CG-CD2 3.81Å; R333-L335 PolarHBondContact O-N 3.23Å; L335-L340 HydrophobicContact CD2-CD2 4.3Å; L335-M414 HydrophobicContact CB-CE 4.12Å; L335-M414 WeakPolarHBondContact O-CE 3.08Å
336	T	90.2	Very high	80.8	Confident	54 Å²	54	68.9 Å²	68.9	33%	0.331	35%	0.348	S	S	.	.			trans	-128.8	160.4	175.2	63.1	0	0	0	0	109.8	A334 E339 L340	A334-T336 PolarHBondContact O-N 2.99Å; T336-E339 PolarHBondContact O-N 2.77Å; T336-E339 WeakPolarHBondContact OG1-CG 3.35Å; T336-E339 PolarHBondContact OG1-N 3.46Å; T336-L340 WeakPolarHBondContact O-CG 3.32Å; T336-L340 PolarHBondContact O-N 2.93Å
337	V	90.8	Very high	81.5	Confident	4 Å²	4	69.2 Å²	69.2	2%	0.024	35%	0.352	C	S	.	.	H	α-helix	trans	-57.1	-46.4	178.4	177.5	0	0	0	0	111.8	E339 L340 T341 F368 M372 E376 V377 Q380	V337-E339 VanDerWaalsContact C-N 3.34Å; V337-E339 PolarHBondContact O-N 3.24Å; V337-L340 PolarHBondContact O-N 2.95Å; V337-T341 PolarHBondContact O-N 2.93Å; V337-T341 PolarHBondContact O-OG1 3.43Å; V337-T341 VanDerWaalsContact O-OG1 3.05Å; V337-F368 HydrophobicContact CG1-CE1 4.18Å; V337-M372 HydrophobicContact CG2-CB 4.01Å; V337-M372 HydrophobicContact CG2-SD 4.13Å; V337-E376 HydrophobicContact CB-CG 4.12Å; V337-E376 HydrophobicContact CG1-CG 4.28Å; V337-V377 HydrophobicContact CG1-CB 4.44Å; V337-V377 HydrophobicContact CG1-CG2 3.82Å; V337-V377 HydrophobicContact CG2-CG2 4.45Å; V337-Q380 HydrophobicContact CG1-CG 4.22Å
338	P	91.9	Very high	82.3	Confident	41 Å²	41	65.4 Å²	65.4	27%	0.266	34%	0.341	S	S	.	.	H	α-helix	trans	-60.6	-39.8	177	-22.7	33.3	0	0	0	113.6	Q342 Q380	P338-Q342 WeakPolarHBondContact O-CB 3.4Å; P338-Q342 PolarHBondContact O-N 3.27Å; P338-Q380 HydrophobicContact CB-CG 4.18Å; P338-Q380 HydrophobicContact CG-CG 3.92Å
339	E	89.7	Confident	83.3	Confident	59 Å²	59	62.9 Å²	62.9	28%	0.276	31%	0.314	S	S	.	.	H	α-helix	trans	-65.5	-42.1	176.8	-78	-169.9	-153.9	0	0	112	R333 T336 V337 Q342 Q343	R333-E339 IonicContact CZ-OE2 2.8Å; R333-E339 IonicContact NE-OE2 2.73Å; R333-E339 PolarHBondContact NE-OE2 3.25Å; R333-E339 IonicContact NH2-OE2 3.98Å; T336-E339 PolarHBondContact O-N 2.77Å; T336-E339 WeakPolarHBondContact OG1-CG 3.35Å; T336-E339 PolarHBondContact OG1-N 3.46Å; V337-E339 VanDerWaalsContact C-N 3.34Å; V337-E339 PolarHBondContact O-N 3.24Å; E339-Q342 PolarHBondContact O-N 3.14Å; E339-Q343 VanDerWaalsContact O-CB 3.28Å; E339-Q343 WeakPolarHBondContact O-CB 3.36Å; E339-Q343 PolarHBondContact O-N 3.37Å
340	L	91.1	Very high	84.1	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-63.2	-47.3	177.2	-72	168.9	0	0	0	110.7	A322 P323 L335 T336 V337 Q342 Q343 V344 M414 V416	A322-L340 HydrophobicContact CB-CD2 4.12Å; P323-L340 HydrophobicContact CB-CD2 4.17Å; P323-L340 HydrophobicContact CG-CD2 4.38Å; L335-L340 HydrophobicContact CD2-CD2 4.3Å; T336-L340 WeakPolarHBondContact O-CG 3.32Å; T336-L340 PolarHBondContact O-N 2.93Å; V337-L340 PolarHBondContact O-N 2.95Å; L340-Q342 PolarHBondContact O-N 3.15Å; L340-Q343 PolarHBondContact O-N 3.05Å; L340-V344 WeakPolarHBondContact O-CB 3.44Å; L340-V344 VanDerWaalsContact O-CG2 3.28Å; L340-V344 WeakPolarHBondContact O-CG2 3.31Å; L340-V344 PolarHBondContact O-N 3Å; L340-M414 HydrophobicContact CD1-CB 3.74Å; L340-M414 HydrophobicContact CD1-CE 4.49Å; L340-V416 HydrophobicContact CB-CG2 3.69Å; L340-V416 HydrophobicContact CD1-CG2 4.03Å; L340-V416 HydrophobicContact CD2-CG2 4.42Å; L340-V416 HydrophobicContact CG-CG2 4.26Å
341	T	91.1	Very high	85.1	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.012	27%	0.273	C	S	.	.	H	α-helix	trans	-60.2	-45.3	177.2	-57.2	0	0	0	0	111.1	V337 Q343 V344 F345 Q380 M381 V384	V337-T341 PolarHBondContact O-N 2.93Å; V337-T341 PolarHBondContact O-OG1 3.43Å; V337-T341 VanDerWaalsContact O-OG1 3.05Å; T341-Q343 VanDerWaalsContact C-N 3.34Å; T341-Q343 PolarHBondContact O-N 3.48Å; T341-V344 PolarHBondContact O-N 2.85Å; T341-F345 HydrophobicContact CG2-CD2 4.4Å; T341-F345 HydrophobicContact CG2-CE2 4.35Å; T341-F345 WeakPolarHBondContact O-CD2 3.33Å; T341-F345 PolarHBondContact O-N 3.42Å; T341-Q380 HydrophobicContact CG2-CB 4.2Å; T341-M381 HydrophobicContact CG2-SD 3.69Å; T341-V384 HydrophobicContact CG2-CG2 3.68Å
342	Q	89.1	Confident	86.3	Confident	149 Å²	149	47.4 Å²	47.4	70%	0.696	24%	0.235	S	C	*	.	H	α-helix	trans	-64.2	-39.7	177.9	-172.3	178.2	10.5	0	0	112.3	P338 E339 L340 D346	P338-Q342 WeakPolarHBondContact O-CB 3.4Å; P338-Q342 PolarHBondContact O-N 3.27Å; E339-Q342 PolarHBondContact O-N 3.14Å; L340-Q342 PolarHBondContact O-N 3.15Å; Q342-D346 PolarHBondContact O-N 3.37Å
343	Q	89.7	Confident	87.2	Confident	16 Å²	16	39.8 Å²	39.8	8%	0.075	21%	0.212	C	C	.	.	H	α-helix	trans	-68.9	-37.5	-179	-163.5	-175.8	3.2	0	0	111.8	A322 L324 E339 L340 T341 F345 D346 N349	A322-Q343 HydrophobicContact CB-CB 4.22Å; A322-Q343 HydrophobicContact CB-CG 4.38Å; L324-Q343 PolarHBondContact O-NE2 3.33Å; E339-Q343 VanDerWaalsContact O-CB 3.28Å; E339-Q343 WeakPolarHBondContact O-CB 3.36Å; E339-Q343 PolarHBondContact O-N 3.37Å; L340-Q343 PolarHBondContact O-N 3.05Å; T341-Q343 VanDerWaalsContact C-N 3.34Å; T341-Q343 PolarHBondContact O-N 3.48Å; Q343-F345 VanDerWaalsContact C-N 3.32Å; Q343-F345 PolarHBondContact O-N 3.02Å; Q343-D346 WeakPolarHBondContact O-CB 3.27Å; Q343-D346 PolarHBondContact O-N 3.22Å; Q343-D346 VanDerWaalsContact O-N 3.14Å; Q343-N349 VanDerWaalsContact CG-ND2 3.33Å; Q343-N349 WeakPolarHBondContact CG-ND2 3.47Å; Q343-N349 WeakPolarHBondContact CG-OD1 3.49Å; Q343-N349 PolarHBondContact NE2-ND2 3.41Å; Q343-N349 VanDerWaalsContact NE2-ND2 3.1Å; Q343-N349 PolarHBondContact NE2-OD1 2.94Å; Q343-N349 VanDerWaalsContact O-CB 3.24Å; Q343-N349 WeakPolarHBondContact O-CB 3.46Å
344	V	89.3	Confident	88.1	Confident	2 Å²	2	35.1 Å²	35.1	1%	0.012	20%	0.196	C	C	.	.	H	α-helix	trans	-60.9	-38.8	179	157.3	0	0	0	0	112.7	A322 L340 T341 D346 M350 V416 F418	A322-V344 HydrophobicContact CB-CG2 3.63Å; L340-V344 WeakPolarHBondContact O-CB 3.44Å; L340-V344 VanDerWaalsContact O-CG2 3.28Å; L340-V344 WeakPolarHBondContact O-CG2 3.31Å; L340-V344 PolarHBondContact O-N 3Å; T341-V344 PolarHBondContact O-N 2.85Å; V344-D346 VanDerWaalsContact C-N 3.3Å; V344-D346 PolarHBondContact O-N 3.47Å; V344-M350 WeakPolarHBondContact O-CE 3.32Å; V344-V416 HydrophobicContact CG2-CB 3.71Å; V344-V416 HydrophobicContact CG2-CG1 3.68Å; V344-F418 HydrophobicContact CG1-CB 3.46Å; V344-F418 VanDerWaalsContact CG1-CB 3.46Å; V344-F418 HydrophobicContact CG1-CD2 3.23Å; V344-F418 HydrophobicContact CG1-CE2 4.09Å; V344-F418 HydrophobicContact CG1-CG 3.54Å
345	F	89	Confident	89	Confident	27 Å²	27	34 Å²	34	12%	0.118	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	4.7	178	-74.2	-83.5	0	0	0	113.6	T341 Q343 Y361 V364 M381 V384 F392 F418	T341-F345 HydrophobicContact CG2-CD2 4.4Å; T341-F345 HydrophobicContact CG2-CE2 4.35Å; T341-F345 WeakPolarHBondContact O-CD2 3.33Å; T341-F345 PolarHBondContact O-N 3.42Å; Q343-F345 VanDerWaalsContact C-N 3.32Å; Q343-F345 PolarHBondContact O-N 3.02Å; F345-Y361 HydrophobicContact CD1-CE2 4.19Å; F345-Y361 HydrophobicContact CE1-CE2 4.29Å; F345-V364 HydrophobicContact CZ-CG1 4.26Å; F345-M381 HydrophobicContact CE2-CE 3.85Å; F345-M381 HydrophobicContact CE2-SD 4.03Å; F345-M381 HydrophobicContact CZ-CE 3.89Å; F345-V384 HydrophobicContact CD1-CG1 4.28Å; F345-V384 HydrophobicContact CD2-CG1 3.76Å; F345-V384 HydrophobicContact CD2-CG2 4.41Å; F345-V384 HydrophobicContact CE1-CG1 4.32Å; F345-V384 HydrophobicContact CE2-CB 4.4Å; F345-V384 HydrophobicContact CE2-CG1 3.82Å; F345-V384 HydrophobicContact CG-CG1 4Å; F345-V384 HydrophobicContact CZ-CG1 4.1Å; F345-F392 HydrophobicContact CE1-CE1 4.36Å; F345-F392 AromaticContact CE1-CZ 3.79Å; F345-F392 HydrophobicContact CE1-CZ 3.79Å; F345-F392 HydrophobicContact CZ-CZ 4.21Å; F345-F418 HydrophobicContact CD1-CE2 4.12Å; F345-F418 HydrophobicContact CD1-CZ 4.41Å; F345-F418 AromaticContact CE1-CE2 3.64Å; F345-F418 HydrophobicContact CE1-CE2 3.64Å; F345-F418 HydrophobicContact CE1-CZ 4.12Å; F345-F418 AromaticContact CZ-CE2 3.87Å; F345-F418 HydrophobicContact CZ-CE2 3.87Å
346	D	89.6	Confident	89.3	Confident	49 Å²	49	32.2 Å²	32.2	26%	0.262	17%	0.171	S	C	.	.	S	Bend	trans	-78.6	133.1	173.3	-166.7	6.5	0	0	0	110.1	Q342 Q343 V344 K348 N349	Q342-D346 PolarHBondContact O-N 3.37Å; Q343-D346 WeakPolarHBondContact O-CB 3.27Å; Q343-D346 PolarHBondContact O-N 3.22Å; Q343-D346 VanDerWaalsContact O-N 3.14Å; V344-D346 VanDerWaalsContact C-N 3.3Å; V344-D346 PolarHBondContact O-N 3.47Å; D346-K348 PolarHBondContact O-N 3.4Å; D346-K348 VanDerWaalsContact O-N 3.1Å; D346-N349 PolarHBondContact O-N 2.92Å
347	A	87.1	Confident	89.2	Confident	26 Å²	26	36.6 Å²	36.6	22%	0.215	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-57.6	-29.4	179	0	0	0	0	0	112	N349 M350	A347-N349 PolarHBondContact O-N 2.92Å; A347-M350 PolarHBondContact O-N 2.81Å
348	K	86.1	Confident	89.2	Confident	141 Å²	141	41.7 Å²	41.7	61%	0.613	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-70	-13.8	178.9	-62.8	175.6	-174.2	165.7	0	114.4	I261 D346	I261-K348 VanDerWaalsContact CG1-O 3.32Å; I261-K348 WeakPolarHBondContact CG1-O 3.45Å; D346-K348 PolarHBondContact O-N 3.4Å; D346-K348 VanDerWaalsContact O-N 3.1Å
349	N	86.3	Confident	89.2	Confident	3 Å²	3	39.9 Å²	39.9	2%	0.016	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-103.1	-1.9	-177.8	-91.6	67.4	0	0	0	112.8	F321 L324 Q343 D346 A347	F321-N349 PolarHBondContact O-ND2 3.45Å; L324-N349 HydrophobicContact CD1-CB 4.37Å; L324-N349 VanDerWaalsContact CD1-ND2 3.35Å; L324-N349 WeakPolarHBondContact CD1-ND2 3.37Å; Q343-N349 VanDerWaalsContact CG-ND2 3.33Å; Q343-N349 WeakPolarHBondContact CG-ND2 3.47Å; Q343-N349 WeakPolarHBondContact CG-OD1 3.49Å; Q343-N349 PolarHBondContact NE2-ND2 3.41Å; Q343-N349 VanDerWaalsContact NE2-ND2 3.1Å; Q343-N349 PolarHBondContact NE2-OD1 2.94Å; Q343-N349 VanDerWaalsContact O-CB 3.24Å; Q343-N349 WeakPolarHBondContact O-CB 3.46Å; D346-N349 PolarHBondContact O-N 2.92Å; A347-N349 PolarHBondContact O-N 2.92Å
350	M	90	Very high	89.4	Confident	3 Å²	3	40.7 Å²	40.7	2%	0.015	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-75.5	136.8	175	-62.4	-59.6	165.7	0	0	110.2	I261 M318 V344 A347 A352 P356 F418	I261-M350 WeakPolarHBondContact CD1-O 3.34Å; M318-M350 HydrophobicContact CE-CB 4.34Å; M318-M350 HydrophobicContact CE-CG 4.28Å; V344-M350 WeakPolarHBondContact O-CE 3.32Å; A347-M350 PolarHBondContact O-N 2.81Å; M350-A352 VanDerWaalsContact C-N 3.25Å; M350-P356 HydrophobicContact CE-CG 3.93Å; M350-P356 HydrophobicContact CG-CG 3.82Å; M350-P356 HydrophobicContact SD-CG 4.43Å; M350-F418 HydrophobicContact CE-CD1 3.8Å; M350-F418 HydrophobicContact CE-CE1 3.54Å; M350-F418 HydrophobicContact CE-CZ 4.16Å; M350-F418 HydrophobicContact SD-CD1 3.85Å; M350-F418 HydrophobicContact SD-CE1 3.87Å
351	M	90.4	Very high	89.5	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.005	20%	0.196	C	C	.	.	S	Bend	trans	-85.9	-0.9	176.5	-58.8	-65.1	-178.5	0	0	112	D254 L258 I261 L279 P319 F321 L324	D254-M351 PolarHBondContact N-O 3.41Å; L258-M351 HydrophobicContact CD2-SD 3.39Å; L258-M351 WeakPolarHBondContact CD2-SD 3.38Å; I261-M351 HydrophobicContact CD1-CE 4.39Å; I261-M351 HydrophobicContact CD1-SD 3.68Å; L279-M351 HydrophobicContact CB-CE 4.12Å; L279-M351 HydrophobicContact CB-SD 4.41Å; L279-M351 HydrophobicContact CD2-CE 4.39Å; P319-M351 HydrophobicContact CB-CB 4.32Å; P319-M351 HydrophobicContact CB-CG 4.5Å; P319-M351 HydrophobicContact CG-CB 4.01Å; P319-M351 WeakPolarHBondContact O-CB 3.27Å; P319-M351 PolarHBondContact O-N 2.96Å; F321-M351 HydrophobicContact CB-CE 3.73Å; L324-M351 HydrophobicContact CD1-CE 4.41Å; L324-M351 HydrophobicContact CD2-CE 4.42Å
352	A	90.1	Very high	89.6	Confident	1 Å²	1	41 Å²	41	1%	0.008	20%	0.196	C	C	.	.	S	Bend	trans	-111.4	136.1	168.4	0	0	0	0	0	108.8	M318 M350 C354 I425 L428	M318-A352 HydrophobicContact CB-CB 4.4Å; M318-A352 HydrophobicContact CE-CB 4.19Å; M318-A352 HydrophobicContact CG-CB 4.08Å; M350-A352 VanDerWaalsContact C-N 3.25Å; A352-C354 PolarHBondContact O-N 3Å; A352-I425 HydrophobicContact CB-CD1 4.19Å; A352-L428 HydrophobicContact CB-CD1 4.4Å
353	A	88.7	Confident	89.9	Confident	36 Å²	36	34.1 Å²	34.1	30%	0.298	16%	0.164	S	C	.	.	S	Bend	trans	-81.5	65.3	-176.2	0	0	0	0	0	111.2	D254 E256 A257	D254-A353 WeakPolarHBondContact OD2-CB 3.49Å; D254-A353 PolarHBondContact OD2-N 2.69Å; E256-A353 HydrophobicContact CB-CB 4.03Å; E256-A353 HydrophobicContact CG-CB 4.02Å; A257-A353 HydrophobicContact CB-CB 4.01Å
354	C	87.8	Confident	90	Very high	8 Å²	8	33.4 Å²	33.4	5%	0.054	16%	0.16	C	C	.	.	S	Bend	trans	-130.6	146	173.6	-41.7	0	0	0	0	108.7	M318 A352 P356 A424 E427	M318-C354 HydrophobicContact CE-CB 3.63Å; M318-C354 HydrophobicContact SD-CB 4.33Å; A352-C354 PolarHBondContact O-N 3Å; C354-P356 VanDerWaalsContact O-CD 3.31Å; C354-P356 WeakPolarHBondContact O-CD 3.38Å; C354-A424 HydrophobicContact CB-CB 4.42Å; C354-A424 WeakPolarHBondContact CB-O 3.27Å; C354-E427 VanDerWaalsContact CA-OE2 3.32Å; C354-E427 WeakPolarHBondContact CA-OE2 3.32Å; C354-E427 HydrophobicContact CB-CB 4.26Å
355	D	88.4	Confident	90.1	Very high	48 Å²	48	33.6 Å²	33.6	26%	0.257	16%	0.162	S	C	.	.			trans	-85.9	113.1	170.6	-167.6	-23.9	0	0	0	109.2	R357 H358 A424 E427	D355-R357 PolarHBondContact O-N 2.8Å; D355-R357 VanDerWaalsContact OD1-CB 3.27Å; D355-R357 WeakPolarHBondContact OD1-CB 3.3Å; D355-R357 VanDerWaalsContact OD1-CG 3.3Å; D355-R357 WeakPolarHBondContact OD1-CG 3.27Å; D355-R357 PolarHBondContact OD1-N 2.94Å; D355-H358 PolarHBondContact O-N 3.19Å; D355-A424 WeakPolarHBondContact O-CB 3.32Å; D355-E427 PolarHBondContact N-OE2 2.77Å; D355-E427 VanDerWaalsContact N-OE2 3.09Å
356	P	88.6	Confident	90.3	Very high	6 Å²	6	32.4 Å²	32.4	4%	0.039	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-61.4	-15.6	-179.9	-19.1	31.6	0	0	0	113.8	M318 M350 C354 H358 G359 Y361	M318-P356 HydrophobicContact CE-CG 4.23Å; M350-P356 HydrophobicContact CE-CG 3.93Å; M350-P356 HydrophobicContact CG-CG 3.82Å; M350-P356 HydrophobicContact SD-CG 4.43Å; C354-P356 VanDerWaalsContact O-CD 3.31Å; C354-P356 WeakPolarHBondContact O-CD 3.38Å; P356-H358 VanDerWaalsContact C-N 3.32Å; P356-G359 PolarHBondContact O-N 3.46Å; P356-Y361 HydrophobicContact CB-CE1 4.37Å; P356-Y361 HydrophobicContact CB-CE2 4.18Å; P356-Y361 WeakPolarHBondContact CB-OH 3.49Å
357	R	88.9	Confident	90.3	Very high	146 Å²	146	30.4 Å²	30.4	55%	0.551	15%	0.147	S	C	*	.	G	3₁₀ helix	trans	-76.5	-17.3	177.4	-59.7	172.4	-177.4	-176.8	3.3	113.5	D355 G359 Y391	D355-R357 PolarHBondContact O-N 2.8Å; D355-R357 VanDerWaalsContact OD1-CB 3.27Å; D355-R357 WeakPolarHBondContact OD1-CB 3.3Å; D355-R357 VanDerWaalsContact OD1-CG 3.3Å; D355-R357 WeakPolarHBondContact OD1-CG 3.27Å; D355-R357 PolarHBondContact OD1-N 2.94Å; R357-G359 VanDerWaalsContact C-N 3.26Å; R357-Y391 HydrophobicContact CB-CE1 4.02Å; R357-Y391 HydrophobicContact CG-CE1 4.46Å; R357-Y391 WeakPolarHBondContact O-CE1 3.28Å
358	H	91.1	Very high	90.6	Very high	111 Å²	111	29.2 Å²	29.2	51%	0.514	14%	0.137	S	C	.	.	G	3₁₀ helix	trans	-82.1	-7.2	175	-65.2	164.4	0	0	0	112.9	D355 P356 E427 Q477	D355-H358 PolarHBondContact O-N 3.19Å; P356-H358 VanDerWaalsContact C-N 3.32Å; H358-E427 IonicContact CE1-OE1 3.76Å; H358-E427 IonicContact CG-OE1 3.76Å; H358-E427 IonicContact ND1-OE1 2.86Å; H358-E427 PolarHBondContact ND1-OE1 3.09Å; H358-Q477 PolarHBondContact O-NE2 3.22Å
359	G	91.2	Very high	90.8	Very high	4 Å²	4	22.6 Å²	22.6	4%	0.041	11%	0.108	C	C	.	.	S	Bend	trans	-131.8	-166	177.1	0	0	0	0	0	112.9	P356 R357 T423	P356-G359 PolarHBondContact O-N 3.46Å; R357-G359 VanDerWaalsContact C-N 3.26Å; G359-T423 VanDerWaalsContact CA-OG1 3.29Å; G359-T423 WeakPolarHBondContact CA-OG1 3.42Å
360	R	93.3	Very high	90.9	Very high	76 Å²	76	22.5 Å²	22.5	29%	0.287	11%	0.107	S	C	.	.			trans	-125.8	144.6	174.7	-62.2	-178.5	175	173.4	1.2	110	L362 Y391 V393 S422 T423 A479	R360-L362 PolarHBondContact O-N 3.09Å; R360-Y391 CarbonylContact C-O 3.21Å; R360-Y391 VanDerWaalsContact CA-O 3.3Å; R360-Y391 WeakPolarHBondContact CA-O 3.23Å; R360-V393 HydrophobicContact CB-CG2 3.6Å; R360-S422 WeakPolarHBondContact O-CA 3.4Å; R360-S422 PolarHBondContact O-OG 3.29Å; R360-T423 PolarHBondContact N-OG1 3.29Å; R360-T423 PolarHBondContact O-N 3.32Å; R360-T423 PolarHBondContact O-OG1 2.88Å; R360-A479 PolarHBondContact NH1-O 3.1Å
361	Y	94.3	Very high	90.7	Very high	8 Å²	8	33.1 Å²	33.1	3%	0.031	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	116.9	173.1	-70.3	-70.5	0	0	0	110.3	F345 P356 V364 Y391 F392 V393 N399 F418	F345-Y361 HydrophobicContact CD1-CE2 4.19Å; F345-Y361 HydrophobicContact CE1-CE2 4.29Å; P356-Y361 HydrophobicContact CB-CE1 4.37Å; P356-Y361 HydrophobicContact CB-CE2 4.18Å; P356-Y361 WeakPolarHBondContact CB-OH 3.49Å; Y361-V364 HydrophobicContact CD1-CG2 3.68Å; Y361-V364 HydrophobicContact CD2-CG2 4.46Å; Y361-V364 HydrophobicContact CE1-CG2 4.34Å; Y361-V364 HydrophobicContact CG-CG2 3.74Å; Y361-Y391 PolarHBondContact N-O 2.94Å; Y361-F392 HydrophobicContact CD2-CD1 4.37Å; Y361-F392 HydrophobicContact CD2-CE1 4.03Å; Y361-F392 HydrophobicContact CD2-CZ 4.26Å; Y361-F392 HydrophobicContact CG-CE1 4.33Å; Y361-V393 VanDerWaalsContact O-CG2 3.31Å; Y361-V393 WeakPolarHBondContact O-CG2 3.19Å; Y361-V393 PolarHBondContact O-N 2.94Å; Y361-V393 VanDerWaalsContact O-N 3.14Å; Y361-N399 PolarHBondContact O-ND2 3.24Å; Y361-F418 HydrophobicContact CD1-CZ 4.33Å; Y361-F418 AromaticContact CE1-CE1 3.99Å; Y361-F418 HydrophobicContact CE1-CE1 3.99Å; Y361-F418 AromaticContact CE1-CZ 3.56Å; Y361-F418 HydrophobicContact CE1-CZ 3.56Å; Y361-F418 AromaticContact CZ-CZ 3.8Å
362	L	93.7	Very high	90.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	-57.1	167.7	-64.6	170.6	0	0	0	108.7	P310 L314 R360 V393 W395 I396 N399 N421 T423	P310-L362 HydrophobicContact CG-CB 4.31Å; P310-L362 HydrophobicContact CG-CD1 4.37Å; L314-L362 HydrophobicContact CD1-CD1 4.2Å; R360-L362 PolarHBondContact O-N 3.09Å; L362-V393 HydrophobicContact CD2-CG2 4.09Å; L362-W395 HydrophobicContact CD2-CH2 4.01Å; L362-W395 HydrophobicContact CD2-CZ2 3.78Å; L362-I396 HydrophobicContact CB-CD1 4.4Å; L362-I396 WeakPolarHBondContact O-CD1 3.19Å; L362-N399 WeakPolarHBondContact O-CB 3.16Å; L362-N399 PolarHBondContact O-ND2 2.87Å; L362-N399 VanDerWaalsContact O-ND2 3.1Å; L362-N421 HydrophobicContact CB-CB 4.42Å; L362-N421 PolarHBondContact N-O 3.41Å; L362-T423 HydrophobicContact CG-CG2 4.35Å
363	T	93.5	Very high	90.5	Very high	5 Å²	5	37.4 Å²	37.4	3%	0.031	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	152.4	-179.6	63.3	0	0	0	0	110.6	N307 M308 I396 N399 N421	N307-T363 WeakPolarHBondContact O-CG2 3.4Å; M308-T363 WeakPolarHBondContact CA-OG1 3.25Å; M308-T363 WeakPolarHBondContact CE-OG1 3.49Å; M308-T363 PolarHBondContact O-OG1 3.45Å; T363-I396 HydrophobicContact CG2-CD1 4.36Å; T363-N399 WeakPolarHBondContact CA-O 3.44Å; T363-N421 PolarHBondContact N-O 2.96Å; T363-N421 PolarHBondContact O-N 3.21Å; T363-N421 WeakPolarHBondContact OG1-CB 3.41Å
364	V	93.6	Very high	90.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	132.1	179.2	171.1	0	0	0	0	109.7	F345 Y361 F392 N399 V400 K401 F418 I419	F345-V364 HydrophobicContact CZ-CG1 4.26Å; Y361-V364 HydrophobicContact CD1-CG2 3.68Å; Y361-V364 HydrophobicContact CD2-CG2 4.46Å; Y361-V364 HydrophobicContact CE1-CG2 4.34Å; Y361-V364 HydrophobicContact CG-CG2 3.74Å; V364-F392 HydrophobicContact CG2-CE1 3.99Å; V364-N399 PolarHBondContact N-O 3.31Å; V364-V400 HydrophobicContact CB-CG1 4.49Å; V364-V400 HydrophobicContact CB-CG2 4.28Å; V364-V400 HydrophobicContact CG1-CG1 4.31Å; V364-V400 CarbonylContact O-C 3.54Å; V364-V400 WeakPolarHBondContact O-CA 3.47Å; V364-K401 PolarHBondContact O-N 3.22Å; V364-F418 HydrophobicContact CB-CE2 4.4Å; V364-F418 HydrophobicContact CG1-CD2 3.98Å; V364-F418 HydrophobicContact CG1-CE2 3.31Å; V364-F418 HydrophobicContact CG1-CZ 4.02Å; V364-F418 HydrophobicContact CG2-CE2 4.22Å; V364-F418 HydrophobicContact CG2-CZ 4.14Å; V364-I419 WeakPolarHBondContact CA-O 3.32Å
365	A	91.1	Very high	90.5	Very high	7 Å²	7	45 Å²	45	6%	0.058	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	132.8	164.7	0	0	0	0	0	110.5	L304 M308 K401 I419	L304-A365 HydrophobicContact CD1-CB 4.35Å; M308-A365 HydrophobicContact CE-CB 4.25Å; M308-A365 HydrophobicContact CG-CB 4.47Å; M308-A365 HydrophobicContact SD-CB 3.53Å; M308-A365 VanDerWaalsContact SD-CB 3.53Å; A365-K401 CarbonylContact C-O 3.57Å; A365-K401 WeakPolarHBondContact CA-O 3.46Å; A365-I419 HydrophobicContact CB-CB 4.28Å; A365-I419 HydrophobicContact CB-CD1 4.48Å; A365-I419 PolarHBondContact N-O 2.91Å; A365-I419 PolarHBondContact O-N 2.95Å
366	A	91.6	Very high	90.7	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.008	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	117.7	174.2	0	0	0	0	0	110	F368 M381 K401 T402 A403 V416 T417	A366-F368 HydrophobicContact CB-CD2 4.25Å; A366-F368 HydrophobicContact CB-CE2 3.71Å; A366-M381 HydrophobicContact CB-CE 3.98Å; A366-M381 HydrophobicContact CB-SD 4.41Å; A366-K401 PolarHBondContact N-O 2.88Å; A366-T402 WeakPolarHBondContact O-CA 3.45Å; A366-A403 PolarHBondContact O-N 3.32Å; A366-V416 HydrophobicContact CB-CG1 4.38Å; A366-T417 CarbonylContact C-O 3.57Å; A366-T417 WeakPolarHBondContact CA-O 3.46Å
367	V	91.3	Very high	90.8	Very high	7 Å²	7	46 Å²	46	4%	0.042	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	100.9	178.6	-174.1	0	0	0	0	108.9	T289 A403 V416 T417	T289-V367 HydrophobicContact CG2-CG1 4.36Å; V367-A403 HydrophobicContact CG2-CB 4.42Å; V367-V416 WeakPolarHBondContact O-CA 3.47Å; V367-T417 PolarHBondContact N-O 3.25Å; V367-T417 PolarHBondContact O-N 2.96Å
368	F	91.9	Very high	90.8	Very high	1 Å²	1	43 Å²	43	0%	0.004	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	136.6	174.5	-71.5	-101.7	0	0	0	110.3	V337 A366 M372 V377 M381 A403 V404 C405 V416	V337-F368 HydrophobicContact CG1-CE1 4.18Å; A366-F368 HydrophobicContact CB-CD2 4.25Å; A366-F368 HydrophobicContact CB-CE2 3.71Å; F368-M372 HydrophobicContact CB-CE 3.83Å; F368-M372 HydrophobicContact CB-SD 3.56Å; F368-M372 VanDerWaalsContact CB-SD 3.56Å; F368-M372 HydrophobicContact CD1-CE 4.25Å; F368-M372 HydrophobicContact CD1-SD 3.54Å; F368-M372 VanDerWaalsContact CD1-SD 3.54Å; F368-M372 HydrophobicContact CG-SD 3.9Å; F368-V377 HydrophobicContact CD1-CG1 4.27Å; F368-V377 HydrophobicContact CD1-CG2 4.03Å; F368-V377 HydrophobicContact CD2-CG1 3.61Å; F368-V377 HydrophobicContact CE1-CG1 4.19Å; F368-V377 HydrophobicContact CE1-CG2 4.3Å; F368-V377 HydrophobicContact CE2-CG1 3.51Å; F368-V377 HydrophobicContact CG-CG1 4.02Å; F368-V377 HydrophobicContact CG-CG2 4.24Å; F368-V377 HydrophobicContact CZ-CG1 3.83Å; F368-M381 HydrophobicContact CE2-CG 4.32Å; F368-M381 HydrophobicContact CE2-SD 4.15Å; F368-M381 HydrophobicContact CZ-CG 4.38Å; F368-M381 HydrophobicContact CZ-SD 4.06Å; F368-A403 PolarHBondContact N-O 3.04Å; F368-V404 HydrophobicContact CB-CG2 4.24Å; F368-V404 CarbonylContact O-C 3.52Å; F368-V404 WeakPolarHBondContact O-CA 3.27Å; F368-C405 PolarHBondContact O-N 2.98Å; F368-V416 HydrophobicContact CD1-CB 4.34Å; F368-V416 HydrophobicContact CD1-CG1 4.21Å; F368-V416 HydrophobicContact CD1-CG2 3.23Å; F368-V416 HydrophobicContact CD2-CG1 4.13Å; F368-V416 HydrophobicContact CE1-CB 4.38Å; F368-V416 HydrophobicContact CE1-CG1 4.1Å; F368-V416 HydrophobicContact CE1-CG2 3.34Å; F368-V416 HydrophobicContact CE2-CG1 4.02Å; F368-V416 HydrophobicContact CG-CG1 4.21Å; F368-V416 HydrophobicContact CG-CG2 3.89Å; F368-V416 HydrophobicContact CZ-CG1 3.98Å; F368-V416 HydrophobicContact CZ-CG2 4.08Å
369	R	90.5	Very high	90.9	Very high	3 Å²	3	42.4 Å²	42.4	1%	0.011	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	137.4	-179.8	-61.3	-173.8	66.6	179.3	-0.6	110.7	E78 S285 T289 M372 C405 I407 M414 A415	E78-R369 IonicContact OE1-CZ 2.69Å; E78-R369 IonicContact OE1-NH1 3.27Å; E78-R369 PolarHBondContact OE1-NH1 3Å; E78-R369 IonicContact OE1-NH2 3.3Å; E78-R369 PolarHBondContact OE1-NH2 3.21Å; E78-R369 IonicContact OE2-CZ 2.85Å; E78-R369 IonicContact OE2-NH1 3.3Å; E78-R369 PolarHBondContact OE2-NH1 2.92Å; E78-R369 IonicContact OE2-NH2 2.82Å; E78-R369 PolarHBondContact OE2-NH2 3.06Å; S285-R369 PolarHBondContact OG-NH1 2.95Å; T289-R369 HydrophobicContact CG2-CG 3.98Å; T289-R369 WeakPolarHBondContact OG1-CD 3.38Å; T289-R369 PolarHBondContact OG1-NE 3.27Å; T289-R369 PolarHBondContact OG1-NH1 3.41Å; R369-M372 WeakPolarHBondContact O-CE 3.47Å; R369-C405 CarbonylContact C-O 3.49Å; R369-C405 WeakPolarHBondContact CA-O 3.36Å; R369-C405 HydrophobicContact CG-CB 4.47Å; R369-I407 PolarHBondContact NE-O 3.33Å; R369-I407 PolarHBondContact NH2-O 3.44Å; R369-M414 VanDerWaalsContact O-CA 3.23Å; R369-M414 WeakPolarHBondContact O-CA 3.35Å; R369-A415 PolarHBondContact N-O 3.13Å; R369-A415 PolarHBondContact O-N 3.47Å
370	G	88.6	Confident	91	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	20%	0.203	C	C	.	.	S	Bend	trans	105.4	168.7	-178.4	0	0	0	0	0	113.1	M372 C405	G370-M372 WeakPolarHBondContact O-CE 3.1Å; G370-M372 PolarHBondContact O-N 3.46Å; G370-M372 VanDerWaalsContact O-N 3.14Å; G370-C405 PolarHBondContact N-O 3.43Å
371	R	85.8	Confident	90.9	Very high	226 Å²	226	40.9 Å²	40.9	85%	0.853	19%	0.192	S	C	*	.	S	Bend	trans	-72.6	107.8	-176.6	-63.1	-176.1	-174.4	-167.9	0.8	110.7
372	M	88.2	Confident	90.7	Very high	30 Å²	30	45 Å²	45	15%	0.148	21%	0.214	C	C	.	.			trans	-145.4	162.4	178.9	64.8	-170.7	82.2	0	0	112.2	V337 F368 R369 G370 V377 V404 M414	V337-M372 HydrophobicContact CG2-CB 4.01Å; V337-M372 HydrophobicContact CG2-SD 4.13Å; F368-M372 HydrophobicContact CB-CE 3.83Å; F368-M372 HydrophobicContact CB-SD 3.56Å; F368-M372 VanDerWaalsContact CB-SD 3.56Å; F368-M372 HydrophobicContact CD1-CE 4.25Å; F368-M372 HydrophobicContact CD1-SD 3.54Å; F368-M372 VanDerWaalsContact CD1-SD 3.54Å; F368-M372 HydrophobicContact CG-SD 3.9Å; R369-M372 WeakPolarHBondContact O-CE 3.47Å; G370-M372 WeakPolarHBondContact O-CE 3.1Å; G370-M372 PolarHBondContact O-N 3.46Å; G370-M372 VanDerWaalsContact O-N 3.14Å; M372-V377 HydrophobicContact CG-CG2 3.92Å; M372-V377 HydrophobicContact SD-CG2 3.52Å; M372-V377 VanDerWaalsContact SD-CG2 3.52Å; M372-V404 HydrophobicContact CG-CG1 4.01Å; M372-M414 HydrophobicContact CB-SD 4.5Å; M372-M414 HydrophobicContact CE-CB 4.42Å; M372-M414 HydrophobicContact CE-CG 4.28Å; M372-M414 HydrophobicContact CE-SD 4.47Å
373	S	88.8	Confident	90.7	Very high	63 Å²	63	47.7 Å²	47.7	44%	0.441	23%	0.228	S	C	.	.			trans	-80.1	120.4	177.4	179.2	0	0	0	0	110.4	K375 E376 V377	S373-K375 PolarHBondContact O-N 3.02Å; S373-E376 WeakPolarHBondContact O-CB 3.17Å; S373-E376 PolarHBondContact O-N 3.12Å; S373-V377 PolarHBondContact O-N 3.18Å; S373-V377 VanDerWaalsContact O-N 3.12Å
374	M	86.2	Confident	90.5	Very high	60 Å²	60	48.3 Å²	48.3	30%	0.296	23%	0.232	S	C	.	.	H	α-helix	trans	-58.9	-39	177.1	-64.4	-169.1	176.7	0	0	112.3	Q296 E376 V377 D378 V404	Q296-M374 HydrophobicContact CB-CE 4.15Å; Q296-M374 HydrophobicContact CG-CE 3.83Å; Q296-M374 PolarHBondContact OE1-SD 3.48Å; M374-E376 PolarHBondContact O-N 2.71Å; M374-V377 WeakPolarHBondContact O-CB 3.43Å; M374-V377 PolarHBondContact O-N 2.71Å; M374-V377 VanDerWaalsContact O-N 3.13Å; M374-D378 PolarHBondContact O-N 3.37Å; M374-V404 HydrophobicContact CE-CB 4.03Å; M374-V404 HydrophobicContact CE-CG1 4.35Å; M374-V404 HydrophobicContact CG-CG2 4.29Å
375	K	90.1	Very high	90.3	Very high	143 Å²	143	50.6 Å²	50.6	62%	0.622	24%	0.243	S	C	*	.	H	α-helix	trans	-57.2	-41	176	-179.9	179.5	169.8	-178.9	0	111.6	S373 E379	S373-K375 PolarHBondContact O-N 3.02Å; K375-E379 WeakPolarHBondContact CE-OE1 3.5Å; K375-E379 IonicContact NZ-OE1 3.78Å; K375-E379 WeakPolarHBondContact O-CB 3.48Å; K375-E379 VanDerWaalsContact O-CG 3.24Å; K375-E379 WeakPolarHBondContact O-CG 3.33Å; K375-E379 PolarHBondContact O-N 3.05Å
376	E	91.9	Very high	90.3	Very high	74 Å²	74	55.4 Å²	55.4	35%	0.346	27%	0.268	S	S	.	.	H	α-helix	trans	-69.9	-40.1	179	-171.1	179	-177.9	0	0	111.3	V337 S373 M374 E379 Q380	V337-E376 HydrophobicContact CB-CG 4.12Å; V337-E376 HydrophobicContact CG1-CG 4.28Å; S373-E376 WeakPolarHBondContact O-CB 3.17Å; S373-E376 PolarHBondContact O-N 3.12Å; M374-E376 PolarHBondContact O-N 2.71Å; E376-E379 PolarHBondContact O-N 3.02Å; E376-Q380 VanDerWaalsContact O-CG 3.31Å; E376-Q380 WeakPolarHBondContact O-CG 3.45Å; E376-Q380 PolarHBondContact O-N 2.95Å
377	V	90.8	Very high	90.3	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-59.4	-50.6	174.8	173.8	0	0	0	0	110.8	V337 F368 M372 S373 M374 E379 Q380 M381 T402 V404	V337-V377 HydrophobicContact CG1-CB 4.44Å; V337-V377 HydrophobicContact CG1-CG2 3.82Å; V337-V377 HydrophobicContact CG2-CG2 4.45Å; F368-V377 HydrophobicContact CD1-CG1 4.27Å; F368-V377 HydrophobicContact CD1-CG2 4.03Å; F368-V377 HydrophobicContact CD2-CG1 3.61Å; F368-V377 HydrophobicContact CE1-CG1 4.19Å; F368-V377 HydrophobicContact CE1-CG2 4.3Å; F368-V377 HydrophobicContact CE2-CG1 3.51Å; F368-V377 HydrophobicContact CG-CG1 4.02Å; F368-V377 HydrophobicContact CG-CG2 4.24Å; F368-V377 HydrophobicContact CZ-CG1 3.83Å; M372-V377 HydrophobicContact CG-CG2 3.92Å; M372-V377 HydrophobicContact SD-CG2 3.52Å; M372-V377 VanDerWaalsContact SD-CG2 3.52Å; S373-V377 PolarHBondContact O-N 3.18Å; S373-V377 VanDerWaalsContact O-N 3.12Å; M374-V377 WeakPolarHBondContact O-CB 3.43Å; M374-V377 PolarHBondContact O-N 2.71Å; M374-V377 VanDerWaalsContact O-N 3.13Å; V377-E379 PolarHBondContact O-N 3.05Å; V377-Q380 PolarHBondContact O-N 3.39Å; V377-M381 HydrophobicContact CG1-CG 4.43Å; V377-M381 VanDerWaalsContact O-CG 3.29Å; V377-M381 WeakPolarHBondContact O-CG 3.4Å; V377-M381 PolarHBondContact O-N 3.38Å; V377-T402 HydrophobicContact CG1-CG2 4.32Å; V377-V404 HydrophobicContact CG1-CG2 4.49Å; V377-V404 HydrophobicContact CG2-CG2 4.48Å
378	D	89.6	Confident	90.2	Very high	83 Å²	83	64.6 Å²	64.6	44%	0.444	31%	0.309	S	S	.	.	H	α-helix	trans	-64.6	-41.7	-178.6	-66.3	-24.4	0	0	0	111.7	M374 Q380 M381 L382 T402	M374-D378 PolarHBondContact O-N 3.37Å; D378-Q380 PolarHBondContact O-N 3.45Å; D378-M381 PolarHBondContact O-N 3.09Å; D378-L382 VanDerWaalsContact O-CB 3.31Å; D378-L382 WeakPolarHBondContact O-CB 3.42Å; D378-L382 PolarHBondContact O-N 2.93Å; D378-T402 PolarHBondContact OD1-OG1 2.99Å
379	E	92.6	Very high	90	Very high	99 Å²	99	67.7 Å²	67.7	46%	0.463	33%	0.331	S	S	.	.	H	α-helix	trans	-61.3	-42.2	175	-78.3	176.2	-177.8	0	0	112.1	K375 E376 V377 N383	K375-E379 WeakPolarHBondContact CE-OE1 3.5Å; K375-E379 IonicContact NZ-OE1 3.78Å; K375-E379 WeakPolarHBondContact O-CB 3.48Å; K375-E379 VanDerWaalsContact O-CG 3.24Å; K375-E379 WeakPolarHBondContact O-CG 3.33Å; K375-E379 PolarHBondContact O-N 3.05Å; E376-E379 PolarHBondContact O-N 3.02Å; V377-E379 PolarHBondContact O-N 3.05Å; E379-N383 VanDerWaalsContact O-CB 3.25Å; E379-N383 WeakPolarHBondContact O-CB 3.48Å; E379-N383 PolarHBondContact O-N 3.04Å
380	Q	92.9	Very high	89.9	Confident	40 Å²	40	71 Å²	71	19%	0.187	36%	0.355	C	S	.	.	H	α-helix	trans	-70.1	-39.1	178.7	-69.3	-50.1	-47.5	0	0	112.7	V337 P338 T341 E376 V377 D378 N383 V384	V337-Q380 HydrophobicContact CG1-CG 4.22Å; P338-Q380 HydrophobicContact CB-CG 4.18Å; P338-Q380 HydrophobicContact CG-CG 3.92Å; T341-Q380 HydrophobicContact CG2-CB 4.2Å; E376-Q380 VanDerWaalsContact O-CG 3.31Å; E376-Q380 WeakPolarHBondContact O-CG 3.45Å; E376-Q380 PolarHBondContact O-N 2.95Å; V377-Q380 PolarHBondContact O-N 3.39Å; D378-Q380 PolarHBondContact O-N 3.45Å; Q380-N383 WeakPolarHBondContact O-CB 3.48Å; Q380-N383 PolarHBondContact O-N 3.44Å; Q380-V384 PolarHBondContact O-N 2.85Å
381	M	91.2	Very high	90.1	Very high	9 Å²	9	74.9 Å²	74.9	4%	0.044	37%	0.37	C	S	.	.	H	α-helix	trans	-67.1	-42.2	177.9	-68.4	-65.2	-59.8	0	0	111.2	T341 F345 A366 F368 V377 D378 N383 V384 Q385 V400 T402	T341-M381 HydrophobicContact CG2-SD 3.69Å; F345-M381 HydrophobicContact CE2-CE 3.85Å; F345-M381 HydrophobicContact CE2-SD 4.03Å; F345-M381 HydrophobicContact CZ-CE 3.89Å; A366-M381 HydrophobicContact CB-CE 3.98Å; A366-M381 HydrophobicContact CB-SD 4.41Å; F368-M381 HydrophobicContact CE2-CG 4.32Å; F368-M381 HydrophobicContact CE2-SD 4.15Å; F368-M381 HydrophobicContact CZ-CG 4.38Å; F368-M381 HydrophobicContact CZ-SD 4.06Å; V377-M381 HydrophobicContact CG1-CG 4.43Å; V377-M381 VanDerWaalsContact O-CG 3.29Å; V377-M381 WeakPolarHBondContact O-CG 3.4Å; V377-M381 PolarHBondContact O-N 3.38Å; D378-M381 PolarHBondContact O-N 3.09Å; M381-N383 VanDerWaalsContact C-N 3.33Å; M381-N383 PolarHBondContact O-N 3.04Å; M381-V384 PolarHBondContact O-N 2.92Å; M381-Q385 PolarHBondContact O-N 2.85Å; M381-V400 HydrophobicContact CE-CG1 3.33Å; M381-T402 HydrophobicContact CB-CG2 4.12Å; M381-T402 HydrophobicContact CE-CG2 4.22Å; M381-T402 HydrophobicContact CG-CG2 3.6Å; M381-T402 HydrophobicContact SD-CG2 4.5Å
382	L	90.8	Very high	90.3	Very high	93 Å²	93	64.6 Å²	64.6	49%	0.487	33%	0.331	S	S	.	.	H	α-helix	trans	-62.9	-39.3	173.3	-175.1	64.7	0	0	0	111.9	D378 V384 Q385 N386	D378-L382 VanDerWaalsContact O-CB 3.31Å; D378-L382 WeakPolarHBondContact O-CB 3.42Å; D378-L382 PolarHBondContact O-N 2.93Å; L382-V384 PolarHBondContact O-N 3.13Å; L382-Q385 PolarHBondContact O-N 3.16Å; L382-N386 WeakPolarHBondContact O-CB 3.42Å; L382-N386 VanDerWaalsContact O-CG 3.25Å; L382-N386 PolarHBondContact O-N 3.45Å; L382-N386 PolarHBondContact O-ND2 3.24Å
383	N	92.9	Very high	90.5	Very high	57 Å²	57	63.4 Å²	63.4	31%	0.305	33%	0.326	S	S	.	.	H	α-helix	trans	-62.5	-41.4	176.4	-174.4	26.4	0	0	0	112.2	E379 Q380 M381 K387	E379-N383 VanDerWaalsContact O-CB 3.25Å; E379-N383 WeakPolarHBondContact O-CB 3.48Å; E379-N383 PolarHBondContact O-N 3.04Å; Q380-N383 WeakPolarHBondContact O-CB 3.48Å; Q380-N383 PolarHBondContact O-N 3.44Å; M381-N383 VanDerWaalsContact C-N 3.33Å; M381-N383 PolarHBondContact O-N 3.04Å; N383-K387 PolarHBondContact ND2-NZ 3.31Å; N383-K387 VanDerWaalsContact ND2-NZ 3.19Å; N383-K387 WeakPolarHBondContact O-CB 3.31Å; N383-K387 VanDerWaalsContact O-CG 3.3Å; N383-K387 WeakPolarHBondContact O-CG 3.33Å; N383-K387 PolarHBondContact O-N 3.41Å; N383-K387 WeakPolarHBondContact OD1-CE 3.37Å; N383-K387 PolarHBondContact OD1-NZ 2.8Å
384	V	91.1	Very high	90.3	Very high	19 Å²	19	67.3 Å²	67.3	12%	0.115	34%	0.337	C	S	.	.	H	α-helix	trans	-64.8	-47.1	174.6	170.8	0	0	0	0	110.6	T341 F345 Q380 M381 L382 N386 K387 N388	T341-V384 HydrophobicContact CG2-CG2 3.68Å; F345-V384 HydrophobicContact CD1-CG1 4.28Å; F345-V384 HydrophobicContact CD2-CG1 3.76Å; F345-V384 HydrophobicContact CD2-CG2 4.41Å; F345-V384 HydrophobicContact CE1-CG1 4.32Å; F345-V384 HydrophobicContact CE2-CB 4.4Å; F345-V384 HydrophobicContact CE2-CG1 3.82Å; F345-V384 HydrophobicContact CG-CG1 4Å; F345-V384 HydrophobicContact CZ-CG1 4.1Å; Q380-V384 PolarHBondContact O-N 2.85Å; M381-V384 PolarHBondContact O-N 2.92Å; L382-V384 PolarHBondContact O-N 3.13Å; V384-N386 VanDerWaalsContact C-N 3.31Å; V384-N386 PolarHBondContact O-N 3.07Å; V384-K387 PolarHBondContact O-N 3.49Å; V384-N388 VanDerWaalsContact O-CB 3.27Å; V384-N388 WeakPolarHBondContact O-CB 3.3Å; V384-N388 PolarHBondContact O-N 3.13Å
385	Q	89.4	Confident	90.3	Very high	47 Å²	47	66.5 Å²	66.5	22%	0.22	33%	0.331	C	S	.	.	H	α-helix	trans	-58.9	-43.4	179.3	-167	177.9	13.5	0	0	111.8	M381 L382 N388 S389 F392 N399	M381-Q385 PolarHBondContact O-N 2.85Å; L382-Q385 PolarHBondContact O-N 3.16Å; Q385-N388 CarbonylContact O-C 3.57Å; Q385-N388 PolarHBondContact O-N 2.75Å; Q385-S389 WeakPolarHBondContact O-CA 3.47Å; Q385-S389 PolarHBondContact O-N 3.35Å; Q385-F392 HydrophobicContact CB-CE2 4.45Å; Q385-F392 HydrophobicContact CG-CD2 4.14Å; Q385-F392 HydrophobicContact CG-CE2 4.38Å; Q385-F392 HydrophobicContact CG-CG 4.33Å; Q385-N399 PolarHBondContact NE2-OD1 3.25Å
386	N	90	Very high	90.1	Very high	109 Å²	109	61.1 Å²	61.1	58%	0.583	31%	0.309	S	S	*	.	H	α-helix	trans	-68.4	-36.8	178.7	-72	-22.3	0	0	0	113.3	L382 V384	L382-N386 WeakPolarHBondContact O-CB 3.42Å; L382-N386 VanDerWaalsContact O-CG 3.25Å; L382-N386 PolarHBondContact O-N 3.45Å; L382-N386 PolarHBondContact O-ND2 3.24Å; V384-N386 VanDerWaalsContact C-N 3.31Å; V384-N386 PolarHBondContact O-N 3.07Å
387	K	90.8	Very high	89.7	Confident	143 Å²	143	62.4 Å²	62.4	62%	0.622	32%	0.323	S	S	*	.	H	α-helix	trans	-72.1	-33.1	177.9	-78.1	172	175.8	165	0	112.7	N383 V384	N383-K387 PolarHBondContact ND2-NZ 3.31Å; N383-K387 VanDerWaalsContact ND2-NZ 3.19Å; N383-K387 WeakPolarHBondContact O-CB 3.31Å; N383-K387 VanDerWaalsContact O-CG 3.3Å; N383-K387 WeakPolarHBondContact O-CG 3.33Å; N383-K387 PolarHBondContact O-N 3.41Å; N383-K387 WeakPolarHBondContact OD1-CE 3.37Å; N383-K387 PolarHBondContact OD1-NZ 2.8Å; V384-K387 PolarHBondContact O-N 3.49Å
388	N	89.6	Confident	89.3	Confident	57 Å²	57	68.1 Å²	68.1	31%	0.305	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	27.5	-170.2	-69	-10.7	0	0	0	111.3	V384 Q385 S390 Y391 F392	V384-N388 VanDerWaalsContact O-CB 3.27Å; V384-N388 WeakPolarHBondContact O-CB 3.3Å; V384-N388 PolarHBondContact O-N 3.13Å; Q385-N388 CarbonylContact O-C 3.57Å; Q385-N388 PolarHBondContact O-N 2.75Å; N388-S390 PolarHBondContact O-N 3.48Å; N388-S390 VanDerWaalsContact O-N 3.09Å; N388-Y391 HydrophobicContact CB-CD2 3.81Å; N388-Y391 WeakPolarHBondContact O-CB 3.17Å; N388-Y391 PolarHBondContact O-N 3.45Å; N388-F392 HydrophobicContact CB-CE2 4.11Å; N388-F392 VanDerWaalsContact O-CD2 3.32Å; N388-F392 WeakPolarHBondContact O-CD2 3.39Å
389	S	87.7	Confident	89.2	Confident	67 Å²	67	64.4 Å²	64.4	47%	0.469	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-56.2	-33.5	-170	61.7	0	0	0	0	113	Q385 Y391 F392	Q385-S389 WeakPolarHBondContact O-CA 3.47Å; Q385-S389 PolarHBondContact O-N 3.35Å; S389-Y391 PolarHBondContact O-N 2.91Å; S389-F392 PolarHBondContact O-N 3.17Å
390	S	89.5	Confident	89	Confident	72 Å²	72	60.9 Å²	60.9	50%	0.503	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-63.5	-20	176	59.1	0	0	0	0	115	N388	N388-S390 PolarHBondContact O-N 3.48Å; N388-S390 VanDerWaalsContact O-N 3.09Å
391	Y	91.4	Very high	88.8	Confident	82 Å²	82	62.7 Å²	62.7	32%	0.322	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-93.9	-4.5	177.2	-59	-66.6	0	0	0	112.3	R357 R360 Y361 N388 S389	R357-Y391 HydrophobicContact CB-CE1 4.02Å; R357-Y391 HydrophobicContact CG-CE1 4.46Å; R357-Y391 WeakPolarHBondContact O-CE1 3.28Å; R360-Y391 CarbonylContact C-O 3.21Å; R360-Y391 VanDerWaalsContact CA-O 3.3Å; R360-Y391 WeakPolarHBondContact CA-O 3.23Å; Y361-Y391 PolarHBondContact N-O 2.94Å; N388-Y391 HydrophobicContact CB-CD2 3.81Å; N388-Y391 WeakPolarHBondContact O-CB 3.17Å; N388-Y391 PolarHBondContact O-N 3.45Å; S389-Y391 PolarHBondContact O-N 2.91Å
392	F	91.8	Very high	88.7	Confident	9 Å²	9	63.9 Å²	63.9	4%	0.039	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-106.1	141.5	171.4	-66.4	-87.7	0	0	0	108.4	F345 Y361 V364 Q385 N388 S389 E394 V400	F345-F392 HydrophobicContact CE1-CE1 4.36Å; F345-F392 AromaticContact CE1-CZ 3.79Å; F345-F392 HydrophobicContact CE1-CZ 3.79Å; F345-F392 HydrophobicContact CZ-CZ 4.21Å; Y361-F392 HydrophobicContact CD2-CD1 4.37Å; Y361-F392 HydrophobicContact CD2-CE1 4.03Å; Y361-F392 HydrophobicContact CD2-CZ 4.26Å; Y361-F392 HydrophobicContact CG-CE1 4.33Å; V364-F392 HydrophobicContact CG2-CE1 3.99Å; Q385-F392 HydrophobicContact CB-CE2 4.45Å; Q385-F392 HydrophobicContact CG-CD2 4.14Å; Q385-F392 HydrophobicContact CG-CE2 4.38Å; Q385-F392 HydrophobicContact CG-CG 4.33Å; N388-F392 HydrophobicContact CB-CE2 4.11Å; N388-F392 VanDerWaalsContact O-CD2 3.32Å; N388-F392 WeakPolarHBondContact O-CD2 3.39Å; S389-F392 PolarHBondContact O-N 3.17Å; F392-E394 PolarHBondContact O-N 3Å; F392-V400 HydrophobicContact CD1-CG2 4.07Å; F392-V400 HydrophobicContact CE1-CG2 3.66Å; F392-V400 HydrophobicContact CZ-CG2 4.41Å
393	V	90.8	Very high	88.5	Confident	5 Å²	5	60 Å²	60	3%	0.03	32%	0.315	C	S	.	.			trans	-72.7	131	179.1	179.2	0	0	0	0	109.9	R360 Y361 L362 W395	R360-V393 HydrophobicContact CB-CG2 3.6Å; Y361-V393 VanDerWaalsContact O-CG2 3.31Å; Y361-V393 WeakPolarHBondContact O-CG2 3.19Å; Y361-V393 PolarHBondContact O-N 2.94Å; Y361-V393 VanDerWaalsContact O-N 3.14Å; L362-V393 HydrophobicContact CD2-CG2 4.09Å; V393-W395 HydrophobicContact CG1-CD2 3.6Å; V393-W395 HydrophobicContact CG1-CG 3.66Å; V393-W395 HydrophobicContact CG1-CZ2 3.61Å
394	E	86.3	Confident	88.3	Confident	145 Å²	145	58 Å²	58	68%	0.678	31%	0.306	S	S	*	.	S	Bend	trans	-78.7	-29.3	-171.4	-62.2	-175.6	171.7	0	0	113.3	F392	F392-E394 PolarHBondContact O-N 3Å
395	W	85	Confident	88.1	Confident	43 Å²	43	57.4 Å²	57.4	16%	0.163	30%	0.302	C	S	.	.	S	Bend	trans	-78.7	-15.3	-176.7	54.6	-104.2	0	0	0	114	F311 L362 V393 P397 Y476 A481 E484	F311-W395 AromaticContact CE2-CH2 3.5Å; F311-W395 HydrophobicContact CE2-CH2 3.5Å; F311-W395 HydrophobicContact CE2-CZ2 4.23Å; F311-W395 HydrophobicContact CE2-CZ3 4.26Å; F311-W395 AromaticContact CZ-CH2 3.8Å; F311-W395 HydrophobicContact CZ-CH2 3.8Å; F311-W395 HydrophobicContact CZ-CZ3 4.17Å; L362-W395 HydrophobicContact CD2-CH2 4.01Å; L362-W395 HydrophobicContact CD2-CZ2 3.78Å; V393-W395 HydrophobicContact CG1-CD2 3.6Å; V393-W395 HydrophobicContact CG1-CG 3.66Å; V393-W395 HydrophobicContact CG1-CZ2 3.61Å; W395-P397 WeakPolarHBondContact O-CD 3.46Å; W395-Y476 HydrophobicContact CZ2-CD1 4.12Å; W395-A481 HydrophobicContact CB-CB 4.37Å; W395-E484 WeakPolarHBondContact CB-OE2 3.23Å
396	I	86.1	Confident	87.9	Confident	31 Å²	31	59.5 Å²	59.5	16%	0.159	31%	0.314	C	S	.	.	S	Bend	trans	-96.6	97	167.4	-52.7	-177.6	0	0	0	109.5	P310 L362 T363 N399	P310-I396 HydrophobicContact CB-CD1 4.11Å; P310-I396 HydrophobicContact CG-CD1 4.21Å; L362-I396 HydrophobicContact CB-CD1 4.4Å; L362-I396 WeakPolarHBondContact O-CD1 3.19Å; T363-I396 HydrophobicContact CG2-CD1 4.36Å; I396-N399 HydrophobicContact CB-CB 4.08Å; I396-N399 HydrophobicContact CG2-CB 3.7Å
397	P	83.1	Confident	87.7	Confident	101 Å²	101	55.6 Å²	55.6	66%	0.656	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	141	176.1	28.1	-34.9	0	0	0	110.8	W395 N399	W395-P397 WeakPolarHBondContact O-CD 3.46Å; P397-N399 VanDerWaalsContact C-N 3.32Å; P397-N399 PolarHBondContact O-N 3.48Å
398	N	83	Confident	87.5	Confident	119 Å²	119	51.1 Å²	51.1	64%	0.636	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	44	175.8	-55.5	-47.1	0	0	0	114.1	V400 K401	N398-V400 PolarHBondContact O-N 2.65Å; N398-K401 PolarHBondContact O-NZ 2.82Å
399	N	87	Confident	87.4	Confident	6 Å²	6	49.1 Å²	49.1	3%	0.032	27%	0.269	C	S	.	.			trans	-72	-5.5	-178.9	64.8	-15.2	0	0	0	115.6	Y361 L362 T363 V364 Q385 I396 P397	Y361-N399 PolarHBondContact O-ND2 3.24Å; L362-N399 WeakPolarHBondContact O-CB 3.16Å; L362-N399 PolarHBondContact O-ND2 2.87Å; L362-N399 VanDerWaalsContact O-ND2 3.1Å; T363-N399 WeakPolarHBondContact CA-O 3.44Å; V364-N399 PolarHBondContact N-O 3.31Å; Q385-N399 PolarHBondContact NE2-OD1 3.25Å; I396-N399 HydrophobicContact CB-CB 4.08Å; I396-N399 HydrophobicContact CG2-CB 3.7Å; P397-N399 VanDerWaalsContact C-N 3.32Å; P397-N399 PolarHBondContact O-N 3.48Å
400	V	89.1	Confident	87	Confident	24 Å²	24	54.6 Å²	54.6	15%	0.145	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	122.4	175.9	-176.6	0	0	0	0	109.8	V364 M381 F392 N398	V364-V400 HydrophobicContact CB-CG1 4.49Å; V364-V400 HydrophobicContact CB-CG2 4.28Å; V364-V400 HydrophobicContact CG1-CG1 4.31Å; V364-V400 CarbonylContact O-C 3.54Å; V364-V400 WeakPolarHBondContact O-CA 3.47Å; M381-V400 HydrophobicContact CE-CG1 3.33Å; F392-V400 HydrophobicContact CD1-CG2 4.07Å; F392-V400 HydrophobicContact CE1-CG2 3.66Å; F392-V400 HydrophobicContact CZ-CG2 4.41Å; N398-V400 PolarHBondContact O-N 2.65Å
401	K	88.5	Confident	86.6	Confident	78 Å²	78	54.3 Å²	54.3	34%	0.339	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	134.2	174	-58.7	-54.6	-177.6	-149.1	0	110.7	N307 V364 A365 A366 N398	N307-K401 HydrophobicContact CB-CG 4.44Å; V364-K401 PolarHBondContact O-N 3.22Å; A365-K401 CarbonylContact C-O 3.57Å; A365-K401 WeakPolarHBondContact CA-O 3.46Å; A366-K401 PolarHBondContact N-O 2.88Å; N398-K401 PolarHBondContact O-NZ 2.82Å
402	T	88.5	Confident	86.3	Confident	35 Å²	35	52.3 Å²	52.3	22%	0.215	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	137.2	177	51.1	0	0	0	0	109.7	A366 V377 D378 M381	A366-T402 WeakPolarHBondContact O-CA 3.45Å; V377-T402 HydrophobicContact CG1-CG2 4.32Å; D378-T402 PolarHBondContact OD1-OG1 2.99Å; M381-T402 HydrophobicContact CB-CG2 4.12Å; M381-T402 HydrophobicContact CE-CG2 4.22Å; M381-T402 HydrophobicContact CG-CG2 3.6Å; M381-T402 HydrophobicContact SD-CG2 4.5Å
403	A	87.4	Confident	86.1	Confident	10 Å²	10	60.5 Å²	60.5	8%	0.083	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	141.6	170.5	0	0	0	0	0	108.9	L297 A366 V367 F368	L297-A403 HydrophobicContact CB-CB 4.27Å; L297-A403 HydrophobicContact CD2-CB 4.09Å; A366-A403 PolarHBondContact O-N 3.32Å; V367-A403 HydrophobicContact CG2-CB 4.42Å; F368-A403 PolarHBondContact N-O 3.04Å
404	V	88.2	Confident	86	Confident	17 Å²	17	61.7 Å²	61.7	10%	0.103	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	127.6	177.8	-175.9	0	0	0	0	108.7	F368 M372 M374 V377	F368-V404 HydrophobicContact CB-CG2 4.24Å; F368-V404 CarbonylContact O-C 3.52Å; F368-V404 WeakPolarHBondContact O-CA 3.27Å; M372-V404 HydrophobicContact CG-CG1 4.01Å; M374-V404 HydrophobicContact CE-CB 4.03Å; M374-V404 HydrophobicContact CE-CG1 4.35Å; M374-V404 HydrophobicContact CG-CG2 4.29Å; V377-V404 HydrophobicContact CG1-CG2 4.49Å; V377-V404 HydrophobicContact CG2-CG2 4.48Å
405	C	87.3	Confident	86.3	Confident	6 Å²	6	54.8 Å²	54.8	4%	0.041	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	131.5	173.7	179.8	0	0	0	0	109.5	T289 F368 R369 G370 I407	T289-C405 HydrophobicContact CG2-CB 3.62Å; F368-C405 PolarHBondContact O-N 2.98Å; R369-C405 CarbonylContact C-O 3.49Å; R369-C405 WeakPolarHBondContact CA-O 3.36Å; R369-C405 HydrophobicContact CG-CB 4.47Å; G370-C405 PolarHBondContact N-O 3.43Å; C405-I407 PolarHBondContact O-N 3.36Å
406	D	85.1	Confident	86.7	Confident	90 Å²	90	52.7 Å²	52.7	48%	0.481	28%	0.284	S	S	.	.	S	Bend	trans	-72.2	-19.2	-176.9	-70.5	-31.2	0	0	0	113.3	P408	D406-P408 VanDerWaalsContact O-CD 3.26Å; D406-P408 WeakPolarHBondContact O-CD 3.32Å
407	I	85.4	Confident	87	Confident	27 Å²	27	51.2 Å²	51.2	14%	0.138	28%	0.276	C	S	.	.	S	Bend	trans	-89.1	108.7	-177.9	-62.1	170.8	0	0	0	109.7	L93 F293 R369 C405	L93-I407 HydrophobicContact CB-CD1 3.72Å; L93-I407 HydrophobicContact CD1-CD1 4.27Å; F293-I407 HydrophobicContact CB-CD1 4.38Å; F293-I407 HydrophobicContact CD1-CD1 3.3Å; F293-I407 HydrophobicContact CD1-CG1 4.5Å; F293-I407 HydrophobicContact CE1-CD1 3.6Å; F293-I407 HydrophobicContact CE1-CG2 4.29Å; F293-I407 HydrophobicContact CE2-CG2 4.25Å; F293-I407 HydrophobicContact CG-CD1 3.86Å; F293-I407 HydrophobicContact CZ-CD1 4.37Å; F293-I407 HydrophobicContact CZ-CG2 4.04Å; R369-I407 PolarHBondContact NE-O 3.33Å; R369-I407 PolarHBondContact NH2-O 3.44Å; C405-I407 PolarHBondContact O-N 3.36Å
408	P	87.7	Confident	87.5	Confident	50 Å²	50	46.4 Å²	46.4	33%	0.325	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-74.4	157.7	176.7	34.2	-35.7	0	0	0	111.2	D406 L412 K413	D406-P408 VanDerWaalsContact O-CD 3.26Å; D406-P408 WeakPolarHBondContact O-CD 3.32Å; P408-L412 WeakPolarHBondContact CB-O 3.25Å; P408-K413 WeakPolarHBondContact CB-O 3.5Å
409	P	86.5	Confident	88.1	Confident	15 Å²	15	40.8 Å²	40.8	10%	0.097	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-68.6	157.6	171.1	27.3	-30.3	0	0	0	111.4	G411 L412 A415	P409-G411 PolarHBondContact O-N 3.22Å; P409-L412 HydrophobicContact CG-CB 4.19Å; P409-L412 HydrophobicContact CG-CD1 4.18Å; P409-L412 PolarHBondContact O-N 3.18Å; P409-L412 VanDerWaalsContact O-O 3.1Å; P409-A415 HydrophobicContact CG-CB 3.56Å
410	R	79.6	Confident	88.4	Confident	182 Å²	182	40.5 Å²	40.5	69%	0.687	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	131.6	-177.6	-169.6	177.6	-176.5	-177.6	8.9	111.5	D77 L412	D77-R410 IonicContact OD1-NH1 3.82Å; D77-R410 PolarHBondContact OD1-NH1 3.21Å; D77-R410 VanDerWaalsContact OD1-NH1 3.15Å; D77-R410 IonicContact OD2-CZ 2.78Å; D77-R410 IonicContact OD2-NH1 3.15Å; D77-R410 PolarHBondContact OD2-NH1 3.3Å; R410-L412 VanDerWaalsContact C-N 3.28Å; R410-L412 PolarHBondContact O-N 3.11Å
411	G	80.5	Confident	88.7	Confident	66 Å²	66	39.4 Å²	39.4	68%	0.68	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	82	-2.4	176.9	0	0	0	0	0	115.3	P409	P409-G411 PolarHBondContact O-N 3.22Å
412	L	85.1	Confident	89	Confident	39 Å²	39	35.7 Å²	35.7	20%	0.204	19%	0.19	C	C	.	.			trans	-124.8	149	176.5	-63.1	171.2	0	0	0	110.1	F321 P323 P408 P409 R410 A415	F321-L412 HydrophobicContact CE1-CD1 4.32Å; F321-L412 HydrophobicContact CZ-CD1 4.11Å; P323-L412 HydrophobicContact CG-CD1 4.31Å; P323-L412 HydrophobicContact CG-CD2 4.04Å; P408-L412 WeakPolarHBondContact CB-O 3.25Å; P409-L412 HydrophobicContact CG-CB 4.19Å; P409-L412 HydrophobicContact CG-CD1 4.18Å; P409-L412 PolarHBondContact O-N 3.18Å; P409-L412 VanDerWaalsContact O-O 3.1Å; R410-L412 VanDerWaalsContact C-N 3.28Å; R410-L412 PolarHBondContact O-N 3.11Å; L412-A415 HydrophobicContact CD1-CB 4.4Å
413	K	87.4	Confident	89.3	Confident	181 Å²	181	34 Å²	34	79%	0.787	18%	0.18	S	C	*	.	S	Bend	trans	-87.7	-33.3	174.2	-69.1	-175.5	178.7	179.7	0	112.4	P408	P408-K413 WeakPolarHBondContact CB-O 3.5Å
414	M	89.9	Confident	89.6	Confident	30 Å²	30	33.6 Å²	33.6	15%	0.148	18%	0.176	C	C	.	.			trans	-143.1	143.6	179	-63.6	-176.3	-64.9	0	0	109.1	L335 L340 R369 M372	L335-M414 HydrophobicContact CB-CE 4.12Å; L335-M414 WeakPolarHBondContact O-CE 3.08Å; L340-M414 HydrophobicContact CD1-CB 3.74Å; L340-M414 HydrophobicContact CD1-CE 4.49Å; R369-M414 VanDerWaalsContact O-CA 3.23Å; R369-M414 WeakPolarHBondContact O-CA 3.35Å; M372-M414 HydrophobicContact CB-SD 4.5Å; M372-M414 HydrophobicContact CE-CB 4.42Å; M372-M414 HydrophobicContact CE-CG 4.28Å; M372-M414 HydrophobicContact CE-SD 4.47Å
415	A	91.9	Very high	89.9	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	160.1	173.8	0	0	0	0	0	109.8	F321 A322 R369 P409 L412	F321-A415 HydrophobicContact CE2-CB 4.14Å; F321-A415 HydrophobicContact CZ-CB 3.93Å; A322-A415 CarbonylContact O-C 3.53Å; A322-A415 VanDerWaalsContact O-CA 3.28Å; A322-A415 WeakPolarHBondContact O-CA 3.47Å; R369-A415 PolarHBondContact N-O 3.13Å; R369-A415 PolarHBondContact O-N 3.47Å; P409-A415 HydrophobicContact CG-CB 3.56Å; L412-A415 HydrophobicContact CD1-CB 4.4Å
416	V	92.9	Very high	90.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	131.3	174.6	-171.9	0	0	0	0	108.2	A322 L340 V344 A366 V367 F368	A322-V416 PolarHBondContact N-O 2.98Å; A322-V416 PolarHBondContact O-N 3.05Å; L340-V416 HydrophobicContact CB-CG2 3.69Å; L340-V416 HydrophobicContact CD1-CG2 4.03Å; L340-V416 HydrophobicContact CD2-CG2 4.42Å; L340-V416 HydrophobicContact CG-CG2 4.26Å; V344-V416 HydrophobicContact CG2-CB 3.71Å; V344-V416 HydrophobicContact CG2-CG1 3.68Å; A366-V416 HydrophobicContact CB-CG1 4.38Å; V367-V416 WeakPolarHBondContact O-CA 3.47Å; F368-V416 HydrophobicContact CD1-CB 4.34Å; F368-V416 HydrophobicContact CD1-CG1 4.21Å; F368-V416 HydrophobicContact CD1-CG2 3.23Å; F368-V416 HydrophobicContact CD2-CG1 4.13Å; F368-V416 HydrophobicContact CE1-CB 4.38Å; F368-V416 HydrophobicContact CE1-CG1 4.1Å; F368-V416 HydrophobicContact CE1-CG2 3.34Å; F368-V416 HydrophobicContact CE2-CG1 4.02Å; F368-V416 HydrophobicContact CG-CG1 4.21Å; F368-V416 HydrophobicContact CG-CG2 3.89Å; F368-V416 HydrophobicContact CZ-CG1 3.98Å; F368-V416 HydrophobicContact CZ-CG2 4.08Å
417	T	93.4	Very high	90.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	132	170.9	-50.4	0	0	0	0	108.4	G286 V287 A366 V367	G286-T417 WeakPolarHBondContact CA-OG1 3.48Å; V287-T417 HydrophobicContact CG2-CG2 3.97Å; A366-T417 CarbonylContact C-O 3.57Å; A366-T417 WeakPolarHBondContact CA-O 3.46Å; V367-T417 PolarHBondContact N-O 3.25Å; V367-T417 PolarHBondContact O-N 2.96Å
418	F	93.8	Very high	90.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	137.3	-177.9	179.8	-99	0	0	0	109.5	P319 G320 V344 F345 M350 Y361 V364	P319-F418 CarbonylContact C-O 3.46Å; P319-F418 WeakPolarHBondContact CA-O 3.4Å; G320-F418 PolarHBondContact N-O 2.52Å; G320-F418 PolarHBondContact O-N 3.22Å; V344-F418 HydrophobicContact CG1-CB 3.46Å; V344-F418 VanDerWaalsContact CG1-CB 3.46Å; V344-F418 HydrophobicContact CG1-CD2 3.23Å; V344-F418 HydrophobicContact CG1-CE2 4.09Å; V344-F418 HydrophobicContact CG1-CG 3.54Å; F345-F418 HydrophobicContact CD1-CE2 4.12Å; F345-F418 HydrophobicContact CD1-CZ 4.41Å; F345-F418 AromaticContact CE1-CE2 3.64Å; F345-F418 HydrophobicContact CE1-CE2 3.64Å; F345-F418 HydrophobicContact CE1-CZ 4.12Å; F345-F418 AromaticContact CZ-CE2 3.87Å; F345-F418 HydrophobicContact CZ-CE2 3.87Å; M350-F418 HydrophobicContact CE-CD1 3.8Å; M350-F418 HydrophobicContact CE-CE1 3.54Å; M350-F418 HydrophobicContact CE-CZ 4.16Å; M350-F418 HydrophobicContact SD-CD1 3.85Å; M350-F418 HydrophobicContact SD-CE1 3.87Å; Y361-F418 HydrophobicContact CD1-CZ 4.33Å; Y361-F418 AromaticContact CE1-CE1 3.99Å; Y361-F418 HydrophobicContact CE1-CE1 3.99Å; Y361-F418 AromaticContact CE1-CZ 3.56Å; Y361-F418 HydrophobicContact CE1-CZ 3.56Å; Y361-F418 AromaticContact CZ-CZ 3.8Å; V364-F418 HydrophobicContact CB-CE2 4.4Å; V364-F418 HydrophobicContact CG1-CD2 3.98Å; V364-F418 HydrophobicContact CG1-CE2 3.31Å; V364-F418 HydrophobicContact CG1-CZ 4.02Å; V364-F418 HydrophobicContact CG2-CE2 4.22Å; V364-F418 HydrophobicContact CG2-CZ 4.14Å
419	I	94	Very high	91.1	Very high	1 Å²	1	28 Å²	28	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	106.4	173.6	-49.9	168.5	0	0	0	104.9	Y251 V287 L304 M308 F317 V364 A365	Y251-I419 HydrophobicContact CD1-CG2 4.4Å; Y251-I419 HydrophobicContact CE1-CD1 4.06Å; Y251-I419 HydrophobicContact CE1-CG1 4.19Å; Y251-I419 HydrophobicContact CE1-CG2 3.75Å; V287-I419 HydrophobicContact CB-CD1 4.38Å; V287-I419 HydrophobicContact CG1-CD1 4.08Å; V287-I419 HydrophobicContact CG2-CD1 3.91Å; V287-I419 HydrophobicContact CG2-CG1 4.01Å; L304-I419 HydrophobicContact CD2-CD1 4.49Å; M308-I419 HydrophobicContact CE-CB 4.3Å; M308-I419 HydrophobicContact CE-CG2 3.91Å; M308-I419 VanDerWaalsContact CE-O 3.28Å; M308-I419 WeakPolarHBondContact CE-O 3.28Å; F317-I419 HydrophobicContact CB-CG2 3.75Å; F317-I419 HydrophobicContact CD1-CG2 4.41Å; F317-I419 HydrophobicContact CD2-CG2 3.77Å; F317-I419 HydrophobicContact CE2-CG2 4.46Å; F317-I419 HydrophobicContact CG-CG2 3.73Å; V364-I419 WeakPolarHBondContact CA-O 3.32Å; A365-I419 HydrophobicContact CB-CB 4.28Å; A365-I419 HydrophobicContact CB-CD1 4.48Å; A365-I419 PolarHBondContact N-O 2.91Å; A365-I419 PolarHBondContact O-N 2.95Å
420	G	93.6	Very high	91.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	127.2	177.4	0	0	0	0	0	110.7	F317 M318	F317-G420 WeakPolarHBondContact CA-O 3.33Å; M318-G420 PolarHBondContact N-O 2.88Å; M318-G420 PolarHBondContact O-N 3.19Å
421	N	95.1	Very high	92	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	103.4	159.8	-166	-11.9	0	0	0	107.4	M308 L314 F317 L362 T363	M308-N421 HydrophobicContact CE-CB 4.42Å; M308-N421 PolarHBondContact O-ND2 3.3Å; L314-N421 PolarHBondContact O-ND2 2.85Å; F317-N421 HydrophobicContact CD1-CB 3.88Å; F317-N421 HydrophobicContact CE1-CB 3.99Å; L362-N421 HydrophobicContact CB-CB 4.42Å; L362-N421 PolarHBondContact N-O 3.41Å; T363-N421 PolarHBondContact N-O 2.96Å; T363-N421 PolarHBondContact O-N 3.21Å; T363-N421 WeakPolarHBondContact OG1-CB 3.41Å
422	S	94.8	Very high	92.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	140.5	-174.1	-177.1	0	0	0	0	110.4	R360 A424 I425	R360-S422 WeakPolarHBondContact O-CA 3.4Å; R360-S422 PolarHBondContact O-OG 3.29Å; S422-A424 PolarHBondContact O-N 2.71Å; S422-A424 VanDerWaalsContact O-N 3.16Å; S422-A424 PolarHBondContact OG-N 3.37Å; S422-I425 VanDerWaalsContact O-CG2 3.27Å; S422-I425 WeakPolarHBondContact O-CG2 3.44Å; S422-I425 PolarHBondContact O-N 2.89Å
423	T	95.1	Very high	92.9	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-63.9	-18.2	174.5	65.5	0	0	0	0	112.5	G359 R360 L362 I425 Q426 Y473 Q477	G359-T423 VanDerWaalsContact CA-OG1 3.29Å; G359-T423 WeakPolarHBondContact CA-OG1 3.42Å; R360-T423 PolarHBondContact N-OG1 3.29Å; R360-T423 PolarHBondContact O-N 3.32Å; R360-T423 PolarHBondContact O-OG1 2.88Å; L362-T423 HydrophobicContact CG-CG2 4.35Å; T423-I425 PolarHBondContact O-N 2.96Å; T423-Q426 WeakPolarHBondContact O-CB 3.28Å; T423-Q426 WeakPolarHBondContact O-CG 3.39Å; T423-Q426 PolarHBondContact O-N 3.4Å; T423-Y473 HydrophobicContact CG2-CD1 4.38Å; T423-Y473 WeakPolarHBondContact CG2-O 3.36Å; T423-Q477 HydrophobicContact CG2-CB 3.97Å; T423-Q477 PolarHBondContact OG1-OE1 3.05Å
424	A	94.7	Very high	93.2	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.008	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-63.7	-17.6	175.9	0	0	0	0	0	113.4	C354 D355 S422 Q426 E427	C354-A424 HydrophobicContact CB-CB 4.42Å; C354-A424 WeakPolarHBondContact CB-O 3.27Å; D355-A424 WeakPolarHBondContact O-CB 3.32Å; S422-A424 PolarHBondContact O-N 2.71Å; S422-A424 VanDerWaalsContact O-N 3.16Å; S422-A424 PolarHBondContact OG-N 3.37Å; A424-Q426 PolarHBondContact O-N 3.24Å; A424-E427 PolarHBondContact O-N 3Å
425	I	94.5	Very high	93.2	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-58.4	-21.1	174.6	-162.7	71.3	0	0	0	112.3	C252 F316 M318 A352 S422 T423 E427 L428 F429 Y473	C252-I425 HydrophobicContact CB-CD1 4.01Å; F316-I425 HydrophobicContact CB-CG1 4.33Å; M318-I425 HydrophobicContact CG-CB 4.33Å; M318-I425 HydrophobicContact CG-CD1 3.56Å; M318-I425 HydrophobicContact CG-CG1 4.45Å; M318-I425 HydrophobicContact SD-CB 4.43Å; M318-I425 HydrophobicContact SD-CD1 4.41Å; A352-I425 HydrophobicContact CB-CD1 4.19Å; S422-I425 VanDerWaalsContact O-CG2 3.27Å; S422-I425 WeakPolarHBondContact O-CG2 3.44Å; S422-I425 PolarHBondContact O-N 2.89Å; T423-I425 PolarHBondContact O-N 2.96Å; I425-E427 PolarHBondContact O-N 2.66Å; I425-E427 VanDerWaalsContact O-N 3.12Å; I425-L428 HydrophobicContact CD1-CB 4.43Å; I425-L428 HydrophobicContact CD1-CD1 4.36Å; I425-L428 WeakPolarHBondContact O-CB 3.44Å; I425-L428 PolarHBondContact O-N 3.13Å; I425-F429 HydrophobicContact CG1-CD2 4.5Å; I425-F429 HydrophobicContact CG1-CE2 3.93Å; I425-F429 HydrophobicContact CG2-CD2 4.48Å; I425-F429 HydrophobicContact CG2-CE2 4.08Å; I425-F429 PolarHBondContact O-N 2.99Å; I425-Y473 HydrophobicContact CG2-CD1 4.07Å; I425-Y473 HydrophobicContact CG2-CD2 4Å; I425-Y473 HydrophobicContact CG2-CE1 3.61Å; I425-Y473 HydrophobicContact CG2-CE2 3.56Å; I425-Y473 HydrophobicContact CG2-CG 4.24Å
426	Q	93.1	Very high	93.3	Very high	7 Å²	7	20 Å²	20	3%	0.033	9%	0.092	C	C	.	.	H	α-helix	trans	-55.3	-27.8	173.5	73.4	173.3	-62.7	0	0	113.4	T423 A424 L428 F429 K430 V470 Q474	T423-Q426 WeakPolarHBondContact O-CB 3.28Å; T423-Q426 WeakPolarHBondContact O-CG 3.39Å; T423-Q426 PolarHBondContact O-N 3.4Å; A424-Q426 PolarHBondContact O-N 3.24Å; Q426-L428 VanDerWaalsContact C-N 3.3Å; Q426-L428 PolarHBondContact O-N 3.13Å; Q426-F429 PolarHBondContact O-N 3.22Å; Q426-K430 WeakPolarHBondContact O-CB 3.34Å; Q426-K430 VanDerWaalsContact O-CG 3.28Å; Q426-K430 WeakPolarHBondContact O-CG 3.4Å; Q426-K430 PolarHBondContact O-N 3.45Å; Q426-V470 HydrophobicContact CB-CG1 4.42Å; Q426-Q474 VanDerWaalsContact NE2-OE1 3.12Å; Q426-Q474 VanDerWaalsContact OE1-OE1 3.08Å
427	E	92.3	Very high	93.4	Very high	63 Å²	63	21 Å²	21	29%	0.294	10%	0.098	S	C	.	.	H	α-helix	trans	-62.6	-39	176.4	-66.1	-172	150.8	0	0	111.7	C354 D355 H358 A424 I425 R431	C354-E427 VanDerWaalsContact CA-OE2 3.32Å; C354-E427 WeakPolarHBondContact CA-OE2 3.32Å; C354-E427 HydrophobicContact CB-CB 4.26Å; D355-E427 PolarHBondContact N-OE2 2.77Å; D355-E427 VanDerWaalsContact N-OE2 3.09Å; H358-E427 IonicContact CE1-OE1 3.76Å; H358-E427 IonicContact CG-OE1 3.76Å; H358-E427 IonicContact ND1-OE1 2.86Å; H358-E427 PolarHBondContact ND1-OE1 3.09Å; A424-E427 PolarHBondContact O-N 3Å; I425-E427 PolarHBondContact O-N 2.66Å; I425-E427 VanDerWaalsContact O-N 3.12Å; E427-R431 WeakPolarHBondContact O-CB 3.38Å; E427-R431 PolarHBondContact O-N 2.88Å
428	L	92.1	Very high	93.4	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-64.5	-44.9	177	179	147.3	0	0	0	110.7	V221 D254 A352 I425 Q426 R431 I432	V221-L428 HydrophobicContact CB-CD1 4.34Å; V221-L428 HydrophobicContact CG1-CD1 4.2Å; V221-L428 HydrophobicContact CG1-CD2 4.03Å; V221-L428 HydrophobicContact CG1-CG 4.17Å; V221-L428 HydrophobicContact CG2-CD1 4.07Å; V221-L428 HydrophobicContact CG2-CD2 4.12Å; D254-L428 HydrophobicContact CB-CD1 4.18Å; A352-L428 HydrophobicContact CB-CD1 4.4Å; I425-L428 HydrophobicContact CD1-CB 4.43Å; I425-L428 HydrophobicContact CD1-CD1 4.36Å; I425-L428 WeakPolarHBondContact O-CB 3.44Å; I425-L428 PolarHBondContact O-N 3.13Å; Q426-L428 VanDerWaalsContact C-N 3.3Å; Q426-L428 PolarHBondContact O-N 3.13Å; L428-R431 PolarHBondContact O-N 3.42Å; L428-I432 HydrophobicContact CD2-CD1 3.84Å; L428-I432 WeakPolarHBondContact O-CG1 3.48Å; L428-I432 PolarHBondContact O-N 2.84Å
429	F	93.6	Very high	93.3	Very high	1 Å²	1	25 Å²	25	0%	0.004	13%	0.126	C	C	.	.	H	α-helix	trans	-69.3	-41.1	178.4	-65	-55.9	0	0	0	112.5	V240 F316 I425 Q426 R431 I432 S433 M466 L469 V470 Y473	V240-F429 HydrophobicContact CG1-CD1 4.27Å; V240-F429 HydrophobicContact CG1-CE1 3.77Å; V240-F429 HydrophobicContact CG2-CE1 4.08Å; F316-F429 HydrophobicContact CB-CE2 4.32Å; F316-F429 HydrophobicContact CB-CZ 4.13Å; F316-F429 AromaticContact CD1-CZ 3.78Å; F316-F429 HydrophobicContact CD1-CZ 3.78Å; F316-F429 HydrophobicContact CD2-CE2 4.17Å; F316-F429 AromaticContact CD2-CZ 3.84Å; F316-F429 HydrophobicContact CD2-CZ 3.84Å; F316-F429 HydrophobicContact CE1-CZ 4.12Å; F316-F429 HydrophobicContact CE2-CZ 4.19Å; F316-F429 HydrophobicContact CG-CE2 4.14Å; F316-F429 AromaticContact CG-CZ 3.62Å; F316-F429 HydrophobicContact CG-CZ 3.62Å; F316-F429 HydrophobicContact CZ-CZ 4.32Å; I425-F429 HydrophobicContact CG1-CD2 4.5Å; I425-F429 HydrophobicContact CG1-CE2 3.93Å; I425-F429 HydrophobicContact CG2-CD2 4.48Å; I425-F429 HydrophobicContact CG2-CE2 4.08Å; I425-F429 PolarHBondContact O-N 2.99Å; Q426-F429 PolarHBondContact O-N 3.22Å; F429-R431 VanDerWaalsContact C-N 3.32Å; F429-R431 PolarHBondContact O-N 3.39Å; F429-I432 PolarHBondContact O-N 2.83Å; F429-S433 VanDerWaalsContact O-CB 3.32Å; F429-S433 WeakPolarHBondContact O-CB 3.37Å; F429-S433 PolarHBondContact O-N 3.32Å; F429-M466 HydrophobicContact CB-SD 3.86Å; F429-M466 HydrophobicContact CD1-CE 4.34Å; F429-M466 HydrophobicContact CD1-SD 3.42Å; F429-M466 WeakPolarHBondContact CD1-SD 3.31Å; F429-M466 HydrophobicContact CE1-SD 4.23Å; F429-M466 HydrophobicContact CG-SD 3.89Å; F429-L469 HydrophobicContact CD2-CD2 4.11Å; F429-L469 HydrophobicContact CE1-CD2 4.3Å; F429-L469 HydrophobicContact CE2-CD2 3.81Å; F429-L469 HydrophobicContact CG-CD2 4.48Å; F429-L469 HydrophobicContact CZ-CD2 3.91Å; F429-V470 HydrophobicContact CB-CG2 3.56Å; F429-Y473 HydrophobicContact CD2-CE2 4.43Å; F429-Y473 HydrophobicContact CE2-CE2 4.01Å
430	K	93.1	Very high	93.3	Very high	81 Å²	81	26.4 Å²	26.4	35%	0.352	13%	0.132	S	C	.	.	H	α-helix	trans	-56.7	-44.6	173.3	-78.9	172.2	171	168.2	0	111.4	Q426 I432 S433 E434 V470	Q426-K430 WeakPolarHBondContact O-CB 3.34Å; Q426-K430 VanDerWaalsContact O-CG 3.28Å; Q426-K430 WeakPolarHBondContact O-CG 3.4Å; Q426-K430 PolarHBondContact O-N 3.45Å; K430-I432 PolarHBondContact O-N 3.45Å; K430-S433 PolarHBondContact O-N 3.25Å; K430-E434 WeakPolarHBondContact O-CB 3.36Å; K430-E434 WeakPolarHBondContact O-CG 3.01Å; K430-E434 PolarHBondContact O-N 3.44Å; K430-V470 HydrophobicContact CD-CG1 4.23Å; K430-V470 VanDerWaalsContact CE-CG1 3.45Å; K430-V470 HydrophobicContact CG-CG1 3.87Å; K430-V470 HydrophobicContact CG-CG2 4.37Å
431	R	91.6	Very high	93.3	Very high	41 Å²	41	36.4 Å²	36.4	16%	0.155	17%	0.17	C	C	.	.	H	α-helix	trans	-60.8	-43.6	177.5	-175.5	-173.9	63.6	-154.3	-13.9	112.5	D254 E256 E427 L428 F429 Q435	D254-R431 IonicContact OD1-NH2 3.6Å; D254-R431 IonicContact OD2-CZ 3.26Å; D254-R431 VanDerWaalsContact OD2-CZ 3.26Å; D254-R431 IonicContact OD2-NH1 2.89Å; D254-R431 PolarHBondContact OD2-NH1 3.27Å; D254-R431 IonicContact OD2-NH2 2.71Å; D254-R431 PolarHBondContact OD2-NH2 3.12Å; E256-R431 IonicContact OE2-CZ 3.61Å; E256-R431 IonicContact OE2-NE 3.96Å; E256-R431 IonicContact OE2-NH1 2.77Å; E256-R431 PolarHBondContact OE2-NH1 3.43Å; E427-R431 WeakPolarHBondContact O-CB 3.38Å; E427-R431 PolarHBondContact O-N 2.88Å; L428-R431 PolarHBondContact O-N 3.42Å; F429-R431 VanDerWaalsContact C-N 3.32Å; F429-R431 PolarHBondContact O-N 3.39Å; R431-Q435 WeakPolarHBondContact O-CG 3.13Å; R431-Q435 PolarHBondContact O-N 3.23Å
432	I	91.4	Very high	93.2	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.021	21%	0.208	C	C	.	.	H	α-helix	trans	-67.6	-45.7	177.9	-62.6	168.4	0	0	0	110.1	V221 A236 L428 F429 K430 E434 Q435 F436	V221-I432 HydrophobicContact CG1-CD1 3.57Å; V221-I432 HydrophobicContact CG1-CG1 4.36Å; A236-I432 HydrophobicContact CB-CD1 4.49Å; A236-I432 HydrophobicContact CB-CG2 3.99Å; L428-I432 HydrophobicContact CD2-CD1 3.84Å; L428-I432 WeakPolarHBondContact O-CG1 3.48Å; L428-I432 PolarHBondContact O-N 2.84Å; F429-I432 PolarHBondContact O-N 2.83Å; K430-I432 PolarHBondContact O-N 3.45Å; I432-E434 PolarHBondContact O-N 2.98Å; I432-Q435 PolarHBondContact O-N 3.02Å; I432-F436 WeakPolarHBondContact O-CB 3.31Å; I432-F436 PolarHBondContact O-N 3.47Å
433	S	93.3	Very high	93.1	Very high	10 Å²	10	51.8 Å²	51.8	7%	0.07	23%	0.231	C	C	.	.	H	α-helix	trans	-58.6	-47.1	178.9	-175.1	0	0	0	0	111.3	F429 K430 Q435 F436 T437 N467	F429-S433 VanDerWaalsContact O-CB 3.32Å; F429-S433 WeakPolarHBondContact O-CB 3.37Å; F429-S433 PolarHBondContact O-N 3.32Å; K430-S433 PolarHBondContact O-N 3.25Å; S433-Q435 VanDerWaalsContact C-N 3.34Å; S433-Q435 PolarHBondContact O-N 2.88Å; S433-F436 WeakPolarHBondContact O-CB 3.37Å; S433-F436 PolarHBondContact O-N 3.05Å; S433-T437 WeakPolarHBondContact O-CB 3.39Å; S433-T437 PolarHBondContact O-N 3.45Å; S433-T437 PolarHBondContact O-OG1 3.28Å; S433-N467 PolarHBondContact OG-OD1 2.97Å
434	E	92.6	Very high	92.9	Very high	141 Å²	141	53.2 Å²	53.2	66%	0.659	24%	0.243	S	C	*	.	H	α-helix	trans	-58.6	-42.7	177.2	-76.6	178.8	-174	0	0	113.1	K430 I432 A438	K430-E434 WeakPolarHBondContact O-CB 3.36Å; K430-E434 WeakPolarHBondContact O-CG 3.01Å; K430-E434 PolarHBondContact O-N 3.44Å; I432-E434 PolarHBondContact O-N 2.98Å; E434-A438 WeakPolarHBondContact O-CB 3.11Å; E434-A438 PolarHBondContact O-N 2.8Å
435	Q	91.1	Very high	92.8	Very high	68 Å²	68	56.9 Å²	56.9	32%	0.318	26%	0.259	S	S	.	.	H	α-helix	trans	-68.1	-42.1	177.3	-68.7	176.5	6.7	0	0	111.6	P233 R431 I432 S433 A438 M439	P233-Q435 HydrophobicContact CB-CB 3.94Å; P233-Q435 HydrophobicContact CG-CB 3.72Å; R431-Q435 WeakPolarHBondContact O-CG 3.13Å; R431-Q435 PolarHBondContact O-N 3.23Å; I432-Q435 PolarHBondContact O-N 3.02Å; S433-Q435 VanDerWaalsContact C-N 3.34Å; S433-Q435 PolarHBondContact O-N 2.88Å; Q435-A438 PolarHBondContact O-N 3.47Å; Q435-M439 WeakPolarHBondContact O-CG 3.14Å; Q435-M439 PolarHBondContact O-N 3.09Å
436	F	93.8	Very high	92.7	Very high	1 Å²	1	57.1 Å²	57.1	0%	0.004	26%	0.26	C	S	.	.	H	α-helix	trans	-58.5	-54.1	174.5	176.2	-81.9	0	0	0	110.8	P233 Y234 T237 I432 S433 A438 M439 F440 F459 E463	P233-F436 HydrophobicContact CB-CB 4.31Å; Y234-F436 AromaticContact CD1-CD2 3.56Å; Y234-F436 HydrophobicContact CD1-CD2 3.56Å; Y234-F436 AromaticContact CD1-CE2 3.4Å; Y234-F436 HydrophobicContact CD1-CE2 3.4Å; Y234-F436 HydrophobicContact CD1-CZ 4.19Å; Y234-F436 HydrophobicContact CE1-CD2 4.05Å; Y234-F436 AromaticContact CE1-CE2 3.87Å; Y234-F436 HydrophobicContact CE1-CE2 3.87Å; Y234-F436 HydrophobicContact CE1-CZ 4.26Å; T237-F436 VanDerWaalsContact CB-CD2 3.49Å; T237-F436 HydrophobicContact CG2-CD2 3.83Å; T237-F436 HydrophobicContact CG2-CE2 3.78Å; T237-F436 HydrophobicContact CG2-CG 4.27Å; T237-F436 HydrophobicContact CG2-CZ 4.27Å; T237-F436 VanDerWaalsContact OG1-CD2 3.28Å; T237-F436 WeakPolarHBondContact OG1-CD2 3.31Å; I432-F436 WeakPolarHBondContact O-CB 3.31Å; I432-F436 PolarHBondContact O-N 3.47Å; S433-F436 WeakPolarHBondContact O-CB 3.37Å; S433-F436 PolarHBondContact O-N 3.05Å; F436-A438 VanDerWaalsContact C-N 3.29Å; F436-A438 PolarHBondContact O-N 3Å; F436-M439 PolarHBondContact O-N 3.43Å; F436-F440 HydrophobicContact CD1-CB 4.22Å; F436-F440 HydrophobicContact CE1-CB 3.89Å; F436-F440 HydrophobicContact CE1-CD1 4.12Å; F436-F440 AromaticContact CE1-CG 4Å; F436-F440 HydrophobicContact CE1-CG 4Å; F436-F440 HydrophobicContact CZ-CB 4.45Å; F436-F440 HydrophobicContact CZ-CG 4.34Å; F436-F440 WeakPolarHBondContact O-CB 3.48Å; F436-F440 PolarHBondContact O-N 2.85Å; F436-F459 AromaticContact CE2-CD1 3.93Å; F436-F459 HydrophobicContact CE2-CD1 3.93Å; F436-F459 HydrophobicContact CZ-CB 4.09Å; F436-F459 AromaticContact CZ-CD1 3.93Å; F436-F459 HydrophobicContact CZ-CD1 3.93Å; F436-F459 WeakPolarHBondContact CZ-O 3.46Å; F436-E463 HydrophobicContact CD1-CB 4.2Å; F436-E463 HydrophobicContact CD1-CG 4.01Å; F436-E463 HydrophobicContact CE1-CB 3.61Å; F436-E463 HydrophobicContact CE1-CG 3.84Å; F436-E463 HydrophobicContact CZ-CB 4.19Å
437	T	94.6	Very high	92.7	Very high	22 Å²	22	62.7 Å²	62.7	14%	0.135	29%	0.286	C	S	.	.	H	α-helix	trans	-60.4	-39.4	-178.6	-55.8	0	0	0	0	111.3	S433 M439 F440 R441 E463	S433-T437 WeakPolarHBondContact O-CB 3.39Å; S433-T437 PolarHBondContact O-N 3.45Å; S433-T437 PolarHBondContact O-OG1 3.28Å; T437-M439 VanDerWaalsContact C-N 3.29Å; T437-M439 PolarHBondContact O-N 3.28Å; T437-F440 PolarHBondContact O-N 3.49Å; T437-R441 HydrophobicContact CG2-CG 4.17Å; T437-R441 VanDerWaalsContact CG2-NE 3.27Å; T437-R441 WeakPolarHBondContact O-CB 3.46Å; T437-R441 VanDerWaalsContact O-CG 3.23Å; T437-R441 WeakPolarHBondContact O-CG 3.17Å; T437-R441 PolarHBondContact O-N 3.11Å; T437-E463 WeakPolarHBondContact CB-OE1 3.46Å; T437-E463 PolarHBondContact OG1-OE1 3.33Å
438	A	92.5	Very high	92.7	Very high	53 Å²	53	65.1 Å²	65.1	44%	0.438	29%	0.293	S	S	.	.	H	α-helix	trans	-61.4	-37.2	177.2	0	0	0	0	0	112.8	E434 Q435 F436	E434-A438 WeakPolarHBondContact O-CB 3.11Å; E434-A438 PolarHBondContact O-N 2.8Å; Q435-A438 PolarHBondContact O-N 3.47Å; F436-A438 VanDerWaalsContact C-N 3.29Å; F436-A438 PolarHBondContact O-N 3Å
439	M	92.6	Very high	92.8	Very high	31 Å²	31	65.1 Å²	65.1	15%	0.153	29%	0.292	C	S	.	.	H	α-helix	trans	-78.2	-45.9	176	-68.4	-130.9	-65.1	0	0	112.6	V230 Y234 Q435 F436 T437 R441 R442 K443 A444	V230-M439 WeakPolarHBondContact O-CE 3.48Å; V230-M439 VanDerWaalsContact O-SD 3.33Å; Y234-M439 HydrophobicContact CD2-CE 3.44Å; Y234-M439 VanDerWaalsContact CD2-CE 3.44Å; Y234-M439 HydrophobicContact CE2-CB 4.05Å; Y234-M439 HydrophobicContact CE2-CE 3.37Å; Y234-M439 HydrophobicContact CE2-SD 4.45Å; Y234-M439 HydrophobicContact CG-CE 4.26Å; Y234-M439 PolarHBondContact OH-O 2.79Å; Q435-M439 WeakPolarHBondContact O-CG 3.14Å; Q435-M439 PolarHBondContact O-N 3.09Å; F436-M439 PolarHBondContact O-N 3.43Å; T437-M439 VanDerWaalsContact C-N 3.29Å; T437-M439 PolarHBondContact O-N 3.28Å; M439-R441 PolarHBondContact O-N 3.32Å; M439-R442 CarbonylContact O-C 3.59Å; M439-R442 PolarHBondContact O-N 2.53Å; M439-K443 PolarHBondContact O-N 3.02Å; M439-A444 PolarHBondContact O-N 2.98Å
440	F	93.7	Very high	92.8	Very high	29 Å²	29	67.8 Å²	67.8	13%	0.127	31%	0.309	C	S	.	.	H	α-helix	trans	-64.2	-38.8	-176.2	-169	-122.6	0	0	0	112.5	Y234 F436 T437 R442 K443 L446 F459	Y234-F440 HydrophobicContact CE1-CB 4.04Å; Y234-F440 HydrophobicContact CE1-CD2 4.11Å; Y234-F440 WeakPolarHBondContact OH-CA 3.31Å; Y234-F440 PolarHBondContact OH-N 3.32Å; Y234-F440 VanDerWaalsContact OH-N 3.08Å; F436-F440 HydrophobicContact CD1-CB 4.22Å; F436-F440 HydrophobicContact CE1-CB 3.89Å; F436-F440 HydrophobicContact CE1-CD1 4.12Å; F436-F440 AromaticContact CE1-CG 4Å; F436-F440 HydrophobicContact CE1-CG 4Å; F436-F440 HydrophobicContact CZ-CB 4.45Å; F436-F440 HydrophobicContact CZ-CG 4.34Å; F436-F440 WeakPolarHBondContact O-CB 3.48Å; F436-F440 PolarHBondContact O-N 2.85Å; T437-F440 PolarHBondContact O-N 3.49Å; F440-R442 PolarHBondContact O-N 3.03Å; F440-R442 VanDerWaalsContact O-N 3.11Å; F440-K443 PolarHBondContact O-N 3.35Å; F440-L446 HydrophobicContact CD2-CD1 4.43Å; F440-L446 HydrophobicContact CE2-CD1 4.15Å; F440-L446 HydrophobicContact CE2-CD2 4.22Å; F440-F459 HydrophobicContact CD2-CB 4.21Å; F440-F459 HydrophobicContact CD2-CD1 4.48Å; F440-F459 HydrophobicContact CE2-CB 3.56Å; F440-F459 HydrophobicContact CE2-CD1 4.44Å; F440-F459 HydrophobicContact CE2-CG 4.02Å; F440-F459 HydrophobicContact CZ-CB 3.75Å
441	R	93.4	Very high	92.8	Very high	211 Å²	211	66.8 Å²	66.8	80%	0.796	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-28.6	172.3	-76.5	178.1	-175.1	177.3	7.6	113.7	T437 M439	T437-R441 HydrophobicContact CG2-CG 4.17Å; T437-R441 VanDerWaalsContact CG2-NE 3.27Å; T437-R441 WeakPolarHBondContact O-CB 3.46Å; T437-R441 VanDerWaalsContact O-CG 3.23Å; T437-R441 WeakPolarHBondContact O-CG 3.17Å; T437-R441 PolarHBondContact O-N 3.11Å; M439-R441 PolarHBondContact O-N 3.32Å
442	R	94.2	Very high	92.8	Very high	211 Å²	211	67.5 Å²	67.5	80%	0.796	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-3.8	178	-62.2	178.4	-176.6	174.2	3.3	112.8	M439 F440 A444	M439-R442 CarbonylContact O-C 3.59Å; M439-R442 PolarHBondContact O-N 2.53Å; F440-R442 PolarHBondContact O-N 3.03Å; F440-R442 VanDerWaalsContact O-N 3.11Å; R442-A444 PolarHBondContact O-N 3.41Å; R442-A444 VanDerWaalsContact O-N 3.15Å
443	K	92.1	Very high	92.7	Very high	112 Å²	112	70.4 Å²	70.4	49%	0.487	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	34.4	-171.8	-58.8	-168.8	166.2	-150.1	0	112.6	M439 F440 L446 E456	M439-K443 PolarHBondContact O-N 3.02Å; F440-K443 PolarHBondContact O-N 3.35Å; K443-L446 HydrophobicContact CB-CD2 4.12Å; K443-L446 HydrophobicContact CD-CD2 4.33Å; K443-L446 HydrophobicContact CG-CD2 4.18Å; K443-E456 IonicContact NZ-OE1 2.82Å; K443-E456 PolarHBondContact NZ-OE1 2.86Å; K443-E456 IonicContact NZ-OE2 2.64Å; K443-E456 PolarHBondContact NZ-OE2 3.38Å
444	A	91.1	Very high	92.8	Very high	30 Å²	30	70.2 Å²	70.2	25%	0.248	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	134.2	-178.2	0	0	0	0	0	109.9	Y234 M439 R442 L446	Y234-A444 VanDerWaalsContact CE2-O 3.31Å; Y234-A444 WeakPolarHBondContact CE2-O 3.38Å; Y234-A444 PolarHBondContact OH-O 3.47Å; M439-A444 PolarHBondContact O-N 2.98Å; R442-A444 PolarHBondContact O-N 3.41Å; R442-A444 VanDerWaalsContact O-N 3.15Å; A444-L446 PolarHBondContact O-N 3.37Å
445	F	92.8	Very high	92.8	Very high	77 Å²	77	68.1 Å²	68.1	34%	0.338	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.2	6.2	178.8	-54.4	-77.1	0	0	0	116.6	V230 V231 H447 W448	V230-F445 HydrophobicContact CG2-CD2 4.07Å; V230-F445 HydrophobicContact CG2-CE2 3.54Å; V230-F445 HydrophobicContact CG2-CZ 3.94Å; V231-F445 HydrophobicContact CG1-CB 3.82Å; V231-F445 HydrophobicContact CG1-CD2 4.1Å; V231-F445 HydrophobicContact CG1-CG 3.92Å; F445-H447 VanDerWaalsContact C-N 3.26Å; F445-H447 PolarHBondContact O-N 3.08Å; F445-W448 HydrophobicContact CD1-CD2 4.39Å; F445-W448 HydrophobicContact CD1-CH2 4.12Å; F445-W448 AromaticContact CD1-CZ2 3.95Å; F445-W448 HydrophobicContact CD1-CZ2 3.95Å; F445-W448 HydrophobicContact CD1-CZ3 4.4Å; F445-W448 HydrophobicContact CE1-CH2 4.36Å; F445-W448 HydrophobicContact CE1-CZ2 4.28Å; F445-W448 WeakPolarHBondContact O-CB 3.42Å; F445-W448 PolarHBondContact O-N 3.39Å
446	L	92.6	Very high	92.9	Very high	6 Å²	6	68.2 Å²	68.2	3%	0.031	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-34.6	-176.5	-168	61	0	0	0	113	F440 K443 A444 W448 Y449 T450 E456 F459	F440-L446 HydrophobicContact CD2-CD1 4.43Å; F440-L446 HydrophobicContact CE2-CD1 4.15Å; F440-L446 HydrophobicContact CE2-CD2 4.22Å; K443-L446 HydrophobicContact CB-CD2 4.12Å; K443-L446 HydrophobicContact CD-CD2 4.33Å; K443-L446 HydrophobicContact CG-CD2 4.18Å; A444-L446 PolarHBondContact O-N 3.37Å; L446-W448 PolarHBondContact O-N 3.29Å; L446-W448 VanDerWaalsContact O-N 3.1Å; L446-Y449 PolarHBondContact O-N 3.06Å; L446-T450 HydrophobicContact CG-CG2 4.17Å; L446-T450 PolarHBondContact O-N 2.86Å; L446-T450 PolarHBondContact O-OG1 2.88Å; L446-E456 HydrophobicContact CD2-CG 3.83Å; L446-E456 VanDerWaalsContact CD2-OE1 3.31Å; L446-E456 WeakPolarHBondContact CD2-OE1 3.28Å; L446-F459 HydrophobicContact CD1-CD1 4.26Å; L446-F459 HydrophobicContact CD1-CD2 3.91Å; L446-F459 HydrophobicContact CD1-CE1 4.11Å; L446-F459 HydrophobicContact CD1-CE2 3.75Å; L446-F459 HydrophobicContact CD1-CG 4.17Å; L446-F459 HydrophobicContact CD1-CZ 3.87Å
447	H	92	Very high	92.8	Very high	124 Å²	124	73.9 Å²	73.9	57%	0.574	38%	0.377	S	S	*	.	H	α-helix	trans	-59.1	-20.4	176.4	70.1	-71.9	0	0	0	114.6	F445 Y449 T450 G451	F445-H447 VanDerWaalsContact C-N 3.26Å; F445-H447 PolarHBondContact O-N 3.08Å; H447-Y449 VanDerWaalsContact C-N 3.32Å; H447-T450 WeakPolarHBondContact CA-OG1 3.48Å; H447-G451 PolarHBondContact O-N 3.1Å; H447-G451 VanDerWaalsContact O-N 3.09Å
448	W	92.6	Very high	92.8	Very high	114 Å²	114	75.1 Å²	75.1	43%	0.432	38%	0.382	S	S	.	.	H	α-helix	trans	-71.8	-30	174	-67.9	3.5	0	0	0	111.9	N151 F445 L446 E452	N151-W448 PolarHBondContact ND2-O 3.49Å; F445-W448 HydrophobicContact CD1-CD2 4.39Å; F445-W448 HydrophobicContact CD1-CH2 4.12Å; F445-W448 AromaticContact CD1-CZ2 3.95Å; F445-W448 HydrophobicContact CD1-CZ2 3.95Å; F445-W448 HydrophobicContact CD1-CZ3 4.4Å; F445-W448 HydrophobicContact CE1-CH2 4.36Å; F445-W448 HydrophobicContact CE1-CZ2 4.28Å; F445-W448 WeakPolarHBondContact O-CB 3.42Å; F445-W448 PolarHBondContact O-N 3.39Å; L446-W448 PolarHBondContact O-N 3.29Å; L446-W448 VanDerWaalsContact O-N 3.1Å; W448-E452 WeakPolarHBondContact O-CG 3.36Å
449	Y	94.8	Very high	92.9	Very high	1 Å²	1	72.6 Å²	72.6	0%	0.004	36%	0.361	C	S	.	.	H	α-helix	trans	-89.5	-45.5	-179.5	-61.4	-99.8	0	0	0	110.5	N151 W152 A153 Y234 N235 L238 L446 H447 G451 E452 M454 F459	N151-Y449 WeakPolarHBondContact OD1-CD1 3.36Å; W152-Y449 HydrophobicContact CB-CE1 4.09Å; A153-Y449 HydrophobicContact CB-CD1 3.97Å; A153-Y449 HydrophobicContact CB-CG 4.49Å; Y234-Y449 WeakPolarHBondContact CB-OH 3.47Å; Y234-Y449 HydrophobicContact CD2-CE2 4.06Å; Y234-Y449 HydrophobicContact CG-CE2 4.42Å; N235-Y449 WeakPolarHBondContact OD1-CE1 3.36Å; N235-Y449 PolarHBondContact OD1-OH 3.3Å; L238-Y449 HydrophobicContact CD1-CD1 4.33Å; L238-Y449 HydrophobicContact CD1-CE1 4.3Å; L446-Y449 PolarHBondContact O-N 3.06Å; H447-Y449 VanDerWaalsContact C-N 3.32Å; Y449-G451 PolarHBondContact O-N 3.48Å; Y449-E452 PolarHBondContact O-N 2.77Å; Y449-M454 HydrophobicContact CD1-SD 4.16Å; Y449-M454 PolarHBondContact O-N 3.03Å; Y449-F459 HydrophobicContact CD1-CE1 4.42Å; Y449-F459 AromaticContact CD1-CZ 3.71Å; Y449-F459 HydrophobicContact CD1-CZ 3.71Å; Y449-F459 HydrophobicContact CD2-CZ 4.05Å; Y449-F459 HydrophobicContact CE1-CZ 4.43Å; Y449-F459 HydrophobicContact CG-CE1 4.36Å; Y449-F459 HydrophobicContact CG-CE2 4.36Å; Y449-F459 AromaticContact CG-CZ 3.51Å; Y449-F459 HydrophobicContact CG-CZ 3.51Å
450	T	93.4	Very high	93	Very high	56 Å²	56	74.5 Å²	74.5	34%	0.344	37%	0.374	S	S	.	.	H	α-helix	trans	-68	-26.5	178.2	63.4	0	0	0	0	112.8	L446 H447 E452 G453 M454 E456	L446-T450 HydrophobicContact CG-CG2 4.17Å; L446-T450 PolarHBondContact O-N 2.86Å; L446-T450 PolarHBondContact O-OG1 2.88Å; H447-T450 WeakPolarHBondContact CA-OG1 3.48Å; T450-E452 PolarHBondContact O-N 3.31Å; T450-G453 PolarHBondContact O-N 2.71Å; T450-G453 VanDerWaalsContact O-N 3.16Å; T450-M454 VanDerWaalsContact CA-O 3.31Å; T450-M454 WeakPolarHBondContact CA-O 3.37Å; T450-M454 WeakPolarHBondContact CG2-O 3.39Å; T450-E456 HydrophobicContact CG2-CG 4.36Å
451	G	92.4	Very high	93	Very high	61 Å²	61	77.8 Å²	77.8	63%	0.629	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-22.5	171.6	0	0	0	0	0	114.1	H447 Y449	H447-G451 PolarHBondContact O-N 3.1Å; H447-G451 VanDerWaalsContact O-N 3.09Å; Y449-G451 PolarHBondContact O-N 3.48Å
452	E	92.4	Very high	93.1	Very high	55 Å²	55	67.8 Å²	67.8	26%	0.257	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	4.7	177.3	-55.4	-66	146.1	0	0	112.3	A153 K154 T158 W448 Y449 T450	A153-E452 HydrophobicContact CB-CB 3.77Å; A153-E452 HydrophobicContact CB-CG 4.16Å; K154-E452 VanDerWaalsContact CE-CD 3.43Å; K154-E452 WeakPolarHBondContact CE-OE1 3.46Å; K154-E452 VanDerWaalsContact CG-CD 3.46Å; K154-E452 HydrophobicContact CG-CG 3.71Å; K154-E452 WeakPolarHBondContact CG-OE2 3.42Å; K154-E452 IonicContact NZ-OE1 3.85Å; T158-E452 HydrophobicContact CG2-CB 4.23Å; T158-E452 VanDerWaalsContact CG2-OE2 3.28Å; T158-E452 WeakPolarHBondContact CG2-OE2 3.48Å; T158-E452 PolarHBondContact OG1-OE2 2.94Å; W448-E452 WeakPolarHBondContact O-CG 3.36Å; Y449-E452 PolarHBondContact O-N 2.77Å; T450-E452 PolarHBondContact O-N 3.31Å
453	G	89.3	Confident	93.1	Very high	65 Å²	65	59.2 Å²	59.2	67%	0.67	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	104.1	0.5	174.6	0	0	0	0	0	116.1	T450	T450-G453 PolarHBondContact O-N 2.71Å; T450-G453 VanDerWaalsContact O-N 3.16Å
454	M	94.3	Very high	93.2	Very high	7 Å²	7	56.7 Å²	56.7	3%	0.034	32%	0.318	C	S	.	.			trans	-72.3	143.8	174.9	-75	-173.1	77.9	0	0	112.8	W152 A153 Y157 L238 Y449 T450 E458 F459	W152-M454 HydrophobicContact CE3-CE 4.06Å; W152-M454 HydrophobicContact CE3-SD 3.78Å; W152-M454 HydrophobicContact CZ3-CE 3.71Å; W152-M454 HydrophobicContact CZ3-SD 3.8Å; A153-M454 HydrophobicContact CB-CG 3.92Å; A153-M454 HydrophobicContact CB-SD 3.46Å; A153-M454 WeakPolarHBondContact CB-SD 3.44Å; Y157-M454 HydrophobicContact CD2-CG 3.64Å; Y157-M454 HydrophobicContact CD2-SD 4.31Å; Y157-M454 HydrophobicContact CE2-CE 4.34Å; Y157-M454 HydrophobicContact CE2-CG 3.36Å; Y157-M454 HydrophobicContact CE2-SD 3.97Å; L238-M454 HydrophobicContact CD1-CE 3.86Å; L238-M454 HydrophobicContact CD1-SD 4.37Å; L238-M454 HydrophobicContact CD2-CE 3.78Å; L238-M454 HydrophobicContact CG-CE 4.47Å; Y449-M454 HydrophobicContact CD1-SD 4.16Å; Y449-M454 PolarHBondContact O-N 3.03Å; T450-M454 VanDerWaalsContact CA-O 3.31Å; T450-M454 WeakPolarHBondContact CA-O 3.37Å; T450-M454 WeakPolarHBondContact CG2-O 3.39Å; M454-E458 HydrophobicContact CE-CB 4Å; M454-E458 WeakPolarHBondContact CE-OE2 2.88Å; M454-F459 HydrophobicContact CB-CE2 4.43Å; M454-F459 HydrophobicContact CE-CD2 4.42Å; M454-F459 HydrophobicContact CE-CE2 3.85Å; M454-F459 HydrophobicContact CE-CZ 4.23Å; M454-F459 HydrophobicContact SD-CE2 4.27Å; M454-F459 HydrophobicContact SD-CZ 4.42Å
455	D	93.3	Very high	93.4	Very high	96 Å²	96	56 Å²	56	51%	0.513	31%	0.31	S	S	.	.			trans	-87.6	151	168.7	-158.1	-18.8	0	0	0	111.5	M457 E458	D455-M457 HydrophobicContact CB-CB 4.37Å; D455-M457 PolarHBondContact O-N 3.31Å; D455-M457 PolarHBondContact OD1-N 2.82Å; D455-E458 PolarHBondContact N-OE1 3.36Å; D455-E458 PolarHBondContact O-N 2.88Å
456	E	92.2	Very high	93.4	Very high	71 Å²	71	52.4 Å²	52.4	33%	0.332	30%	0.295	S	S	.	.	H	α-helix	trans	-60.6	-23.2	169.1	-57.4	-166.6	162.9	0	0	111.9	K443 L446 T450 F459 T460	K443-E456 IonicContact NZ-OE1 2.82Å; K443-E456 PolarHBondContact NZ-OE1 2.86Å; K443-E456 IonicContact NZ-OE2 2.64Å; K443-E456 PolarHBondContact NZ-OE2 3.38Å; L446-E456 HydrophobicContact CD2-CG 3.83Å; L446-E456 VanDerWaalsContact CD2-OE1 3.31Å; L446-E456 WeakPolarHBondContact CD2-OE1 3.28Å; T450-E456 HydrophobicContact CG2-CG 4.36Å; E456-F459 WeakPolarHBondContact O-CB 3.43Å; E456-F459 PolarHBondContact O-N 3.07Å; E456-T460 PolarHBondContact O-N 3.01Å; E456-T460 PolarHBondContact O-OG1 2.95Å
457	M	93.4	Very high	93.5	Very high	119 Å²	119	55.1 Å²	55.1	59%	0.586	31%	0.309	S	S	*	.	H	α-helix	trans	-64.1	-39.6	176.5	-167.3	159.9	-174.2	0	0	112.1	D455 F459 T460 E461	D455-M457 HydrophobicContact CB-CB 4.37Å; D455-M457 PolarHBondContact O-N 3.31Å; D455-M457 PolarHBondContact OD1-N 2.82Å; M457-F459 PolarHBondContact O-N 3.08Å; M457-T460 WeakPolarHBondContact O-CA 3.33Å; M457-T460 WeakPolarHBondContact O-CB 3.5Å; M457-T460 PolarHBondContact O-N 3.36Å; M457-E461 WeakPolarHBondContact O-CG 3.28Å; M457-E461 PolarHBondContact O-N 3.34Å
458	E	93.8	Very high	93.7	Very high	49 Å²	49	52.8 Å²	52.8	23%	0.229	30%	0.301	C	S	.	.	H	α-helix	trans	-60.1	-35.4	176.9	-70.2	176.4	-135	0	0	112.1	Y157 M454 D455 T460 A462	Y157-E458 PolarHBondContact OH-OE2 2.89Å; M454-E458 HydrophobicContact CE-CB 4Å; M454-E458 WeakPolarHBondContact CE-OE2 2.88Å; D455-E458 PolarHBondContact N-OE1 3.36Å; D455-E458 PolarHBondContact O-N 2.88Å; E458-T460 VanDerWaalsContact C-N 3.33Å; E458-A462 WeakPolarHBondContact O-CB 3.42Å; E458-A462 PolarHBondContact O-N 3.18Å
459	F	94.1	Very high	93.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-65	-40.2	174.3	-75.6	-94.4	0	0	0	112	Y234 L238 F436 F440 L446 Y449 M454 E456 M457 E463	Y234-F459 AromaticContact CD1-CD1 3.73Å; Y234-F459 HydrophobicContact CD1-CD1 3.73Å; Y234-F459 AromaticContact CD1-CE1 3.55Å; Y234-F459 HydrophobicContact CD1-CE1 3.55Å; Y234-F459 HydrophobicContact CE1-CD1 4Å; Y234-F459 HydrophobicContact CE1-CE1 4.07Å; Y234-F459 HydrophobicContact CG-CE1 4.03Å; L238-F459 HydrophobicContact CD1-CE1 3.94Å; L238-F459 HydrophobicContact CD1-CZ 4.05Å; F436-F459 AromaticContact CE2-CD1 3.93Å; F436-F459 HydrophobicContact CE2-CD1 3.93Å; F436-F459 HydrophobicContact CZ-CB 4.09Å; F436-F459 AromaticContact CZ-CD1 3.93Å; F436-F459 HydrophobicContact CZ-CD1 3.93Å; F436-F459 WeakPolarHBondContact CZ-O 3.46Å; F440-F459 HydrophobicContact CD2-CB 4.21Å; F440-F459 HydrophobicContact CD2-CD1 4.48Å; F440-F459 HydrophobicContact CE2-CB 3.56Å; F440-F459 HydrophobicContact CE2-CD1 4.44Å; F440-F459 HydrophobicContact CE2-CG 4.02Å; F440-F459 HydrophobicContact CZ-CB 3.75Å; L446-F459 HydrophobicContact CD1-CD1 4.26Å; L446-F459 HydrophobicContact CD1-CD2 3.91Å; L446-F459 HydrophobicContact CD1-CE1 4.11Å; L446-F459 HydrophobicContact CD1-CE2 3.75Å; L446-F459 HydrophobicContact CD1-CG 4.17Å; L446-F459 HydrophobicContact CD1-CZ 3.87Å; Y449-F459 HydrophobicContact CD1-CE1 4.42Å; Y449-F459 AromaticContact CD1-CZ 3.71Å; Y449-F459 HydrophobicContact CD1-CZ 3.71Å; Y449-F459 HydrophobicContact CD2-CZ 4.05Å; Y449-F459 HydrophobicContact CE1-CZ 4.43Å; Y449-F459 HydrophobicContact CG-CE1 4.36Å; Y449-F459 HydrophobicContact CG-CE2 4.36Å; Y449-F459 AromaticContact CG-CZ 3.51Å; Y449-F459 HydrophobicContact CG-CZ 3.51Å; M454-F459 HydrophobicContact CB-CE2 4.43Å; M454-F459 HydrophobicContact CE-CD2 4.42Å; M454-F459 HydrophobicContact CE-CE2 3.85Å; M454-F459 HydrophobicContact CE-CZ 4.23Å; M454-F459 HydrophobicContact SD-CE2 4.27Å; M454-F459 HydrophobicContact SD-CZ 4.42Å; E456-F459 WeakPolarHBondContact O-CB 3.43Å; E456-F459 PolarHBondContact O-N 3.07Å; M457-F459 PolarHBondContact O-N 3.08Å; F459-E463 WeakPolarHBondContact O-CB 3.42Å; F459-E463 PolarHBondContact O-N 3.04Å
460	T	94.5	Very high	93.7	Very high	71 Å²	71	47.9 Å²	47.9	44%	0.436	28%	0.283	S	S	.	.	H	α-helix	trans	-70.7	-39.3	-179.6	-51.9	0	0	0	0	110.6	E456 M457 E458 E463 S464	E456-T460 PolarHBondContact O-N 3.01Å; E456-T460 PolarHBondContact O-OG1 2.95Å; M457-T460 WeakPolarHBondContact O-CA 3.33Å; M457-T460 WeakPolarHBondContact O-CB 3.5Å; M457-T460 PolarHBondContact O-N 3.36Å; E458-T460 VanDerWaalsContact C-N 3.33Å; T460-E463 PolarHBondContact O-N 3.32Å; T460-S464 WeakPolarHBondContact O-CB 3.39Å; T460-S464 PolarHBondContact O-N 2.7Å
461	E	94.9	Very high	93.7	Very high	97 Å²	97	48.5 Å²	48.5	45%	0.453	29%	0.29	S	S	.	.	H	α-helix	trans	-63.1	-46.4	174.6	-71.2	174.3	-178.1	0	0	111.3	M457 E463 S464 N465	M457-E461 WeakPolarHBondContact O-CG 3.28Å; M457-E461 PolarHBondContact O-N 3.34Å; E461-E463 PolarHBondContact O-N 3.48Å; E461-S464 PolarHBondContact O-N 2.87Å; E461-N465 WeakPolarHBondContact O-CB 3.44Å; E461-N465 PolarHBondContact O-N 2.81Å
462	A	94.8	Very high	93.8	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.008	27%	0.27	C	S	.	.	H	α-helix	trans	-64.3	-39.4	177.1	0	0	0	0	0	112.5	T237 L238 H241 E458 M466	T237-A462 HydrophobicContact CG2-CB 4.06Å; L238-A462 HydrophobicContact CD2-CB 3.88Å; H241-A462 HydrophobicContact CB-CB 3.93Å; E458-A462 WeakPolarHBondContact O-CB 3.42Å; E458-A462 PolarHBondContact O-N 3.18Å; A462-M466 WeakPolarHBondContact O-CB 2.9Å; A462-M466 PolarHBondContact O-N 3.25Å
463	E	94.3	Very high	93.9	Very high	31 Å²	31	45 Å²	45	15%	0.145	26%	0.257	C	S	.	.	H	α-helix	trans	-62.5	-44.9	172.9	-173.3	176.4	-143.9	0	0	111.7	F436 T437 F459 T460 E461 M466 N467	F436-E463 HydrophobicContact CD1-CB 4.2Å; F436-E463 HydrophobicContact CD1-CG 4.01Å; F436-E463 HydrophobicContact CE1-CB 3.61Å; F436-E463 HydrophobicContact CE1-CG 3.84Å; F436-E463 HydrophobicContact CZ-CB 4.19Å; T437-E463 WeakPolarHBondContact CB-OE1 3.46Å; T437-E463 PolarHBondContact OG1-OE1 3.33Å; F459-E463 WeakPolarHBondContact O-CB 3.42Å; F459-E463 PolarHBondContact O-N 3.04Å; T460-E463 PolarHBondContact O-N 3.32Å; E461-E463 PolarHBondContact O-N 3.48Å; E463-M466 PolarHBondContact O-N 2.9Å; E463-N467 VanDerWaalsContact O-CG 3.27Å; E463-N467 PolarHBondContact O-N 2.97Å; E463-N467 VanDerWaalsContact O-N 3.09Å; E463-N467 PolarHBondContact O-ND2 3.01Å
464	S	94.8	Very high	94	Very high	59 Å²	59	44.6 Å²	44.6	41%	0.413	24%	0.238	S	C	.	.	H	α-helix	trans	-61	-51.3	177.4	-165.6	0	0	0	0	110.9	T460 E461 M466 N467 D468	T460-S464 WeakPolarHBondContact O-CB 3.39Å; T460-S464 PolarHBondContact O-N 2.7Å; E461-S464 PolarHBondContact O-N 2.87Å; S464-M466 VanDerWaalsContact C-N 3.28Å; S464-M466 PolarHBondContact O-N 2.98Å; S464-N467 CarbonylContact O-C 3.55Å; S464-N467 PolarHBondContact O-N 3.36Å; S464-D468 VanDerWaalsContact O-CG 3.22Å; S464-D468 PolarHBondContact O-N 2.87Å
465	N	94.5	Very high	93.9	Very high	16 Å²	16	48.6 Å²	48.6	9%	0.086	26%	0.257	C	S	.	.	H	α-helix	trans	-61.1	-37.3	-178.4	-172.4	40.2	0	0	0	112.4	H241 R313 E461 D468 L469	H241-N465 PolarHBondContact ND1-ND2 3.34Å; R313-N465 PolarHBondContact NH2-OD1 3.5Å; E461-N465 WeakPolarHBondContact O-CB 3.44Å; E461-N465 PolarHBondContact O-N 2.81Å; N465-D468 PolarHBondContact O-N 3.26Å; N465-L469 WeakPolarHBondContact O-CB 3.39Å; N465-L469 PolarHBondContact O-N 3.45Å
466	M	93.7	Very high	93.8	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-62.5	-43.4	173	-176.1	72.7	71.7	0	0	111.9	T237 V240 F429 A462 E463 S464 D468 L469 V470	T237-M466 HydrophobicContact CG2-CE 4.2Å; V240-M466 HydrophobicContact CB-CE 3.37Å; V240-M466 HydrophobicContact CB-SD 4.34Å; V240-M466 HydrophobicContact CG1-CE 3.42Å; V240-M466 VanDerWaalsContact CG1-CE 3.42Å; V240-M466 HydrophobicContact CG1-SD 3.72Å; V240-M466 HydrophobicContact CG2-CE 3.85Å; F429-M466 HydrophobicContact CB-SD 3.86Å; F429-M466 HydrophobicContact CD1-CE 4.34Å; F429-M466 HydrophobicContact CD1-SD 3.42Å; F429-M466 WeakPolarHBondContact CD1-SD 3.31Å; F429-M466 HydrophobicContact CE1-SD 4.23Å; F429-M466 HydrophobicContact CG-SD 3.89Å; A462-M466 WeakPolarHBondContact O-CB 2.9Å; A462-M466 PolarHBondContact O-N 3.25Å; E463-M466 PolarHBondContact O-N 2.9Å; S464-M466 VanDerWaalsContact C-N 3.28Å; S464-M466 PolarHBondContact O-N 2.98Å; M466-D468 VanDerWaalsContact C-N 3.35Å; M466-L469 PolarHBondContact O-N 3.27Å; M466-V470 WeakPolarHBondContact O-CG2 3.36Å; M466-V470 PolarHBondContact O-N 2.99Å
467	N	94.4	Very high	93.7	Very high	63 Å²	63	44.4 Å²	44.4	34%	0.337	23%	0.232	S	C	.	.	H	α-helix	trans	-70.6	-33.3	179.2	-67.5	-34.4	0	0	0	112	S433 E463 S464 V470 S471	S433-N467 PolarHBondContact OG-OD1 2.97Å; E463-N467 VanDerWaalsContact O-CG 3.27Å; E463-N467 PolarHBondContact O-N 2.97Å; E463-N467 VanDerWaalsContact O-N 3.09Å; E463-N467 PolarHBondContact O-ND2 3.01Å; S464-N467 CarbonylContact O-C 3.55Å; S464-N467 PolarHBondContact O-N 3.36Å; N467-V470 PolarHBondContact O-N 2.89Å; N467-S471 WeakPolarHBondContact O-CB 3.45Å; N467-S471 PolarHBondContact O-N 3.29Å; N467-S471 PolarHBondContact O-OG 3.26Å
468	D	95.1	Very high	93.4	Very high	74 Å²	74	43.4 Å²	43.4	40%	0.396	23%	0.229	S	C	.	.	H	α-helix	trans	-64.6	-45.9	173.3	-63.8	-24	0	0	0	110.1	S464 N465 M466 V470 S471 E472	S464-D468 VanDerWaalsContact O-CG 3.22Å; S464-D468 PolarHBondContact O-N 2.87Å; N465-D468 PolarHBondContact O-N 3.26Å; M466-D468 VanDerWaalsContact C-N 3.35Å; D468-V470 VanDerWaalsContact C-N 3.33Å; D468-V470 PolarHBondContact O-N 3.03Å; D468-S471 CarbonylContact O-C 3.59Å; D468-S471 WeakPolarHBondContact O-CA 3.31Å; D468-S471 WeakPolarHBondContact O-CB 3.48Å; D468-S471 PolarHBondContact O-N 3.26Å; D468-E472 WeakPolarHBondContact O-CG 3.34Å; D468-E472 PolarHBondContact O-N 2.79Å
469	L	93.9	Very high	92.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-57.9	-44	174.3	-179.2	70.7	0	0	0	112	V240 V244 R313 L314 F316 F429 N465 M466 S471 E472 Y473	V240-L469 HydrophobicContact CG1-CD2 4.37Å; V244-L469 HydrophobicContact CG2-CD1 4.42Å; V244-L469 HydrophobicContact CG2-CD2 3.84Å; R313-L469 HydrophobicContact CB-CD1 4.42Å; L314-L469 HydrophobicContact CD2-CD1 3.85Å; F316-L469 HydrophobicContact CD2-CD2 4.13Å; F316-L469 HydrophobicContact CE2-CD1 4.27Å; F316-L469 HydrophobicContact CE2-CD2 3.7Å; F316-L469 HydrophobicContact CZ-CD2 4.41Å; F429-L469 HydrophobicContact CD2-CD2 4.11Å; F429-L469 HydrophobicContact CE1-CD2 4.3Å; F429-L469 HydrophobicContact CE2-CD2 3.81Å; F429-L469 HydrophobicContact CG-CD2 4.48Å; F429-L469 HydrophobicContact CZ-CD2 3.91Å; N465-L469 WeakPolarHBondContact O-CB 3.39Å; N465-L469 PolarHBondContact O-N 3.45Å; M466-L469 PolarHBondContact O-N 3.27Å; L469-S471 VanDerWaalsContact C-N 3.28Å; L469-S471 PolarHBondContact O-N 3.36Å; L469-E472 PolarHBondContact O-N 3.05Å; L469-Y473 HydrophobicContact CD1-CD2 4.34Å; L469-Y473 HydrophobicContact CD1-CE2 3.91Å; L469-Y473 HydrophobicContact CD2-CE2 4.42Å; L469-Y473 HydrophobicContact CG-CD2 4.14Å; L469-Y473 HydrophobicContact CG-CE2 3.95Å; L469-Y473 VanDerWaalsContact O-CD2 3.28Å; L469-Y473 WeakPolarHBondContact O-CD2 3.41Å; L469-Y473 PolarHBondContact O-N 3.44Å; L469-Y473 VanDerWaalsContact O-N 3.09Å
470	V	94.4	Very high	92	Very high	12 Å²	12	44.7 Å²	44.7	7%	0.073	24%	0.242	C	C	.	.	H	α-helix	trans	-61	-40.4	175	167.1	0	0	0	0	111.2	Q426 F429 K430 M466 N467 D468 Y473 Q474	Q426-V470 HydrophobicContact CB-CG1 4.42Å; F429-V470 HydrophobicContact CB-CG2 3.56Å; K430-V470 HydrophobicContact CD-CG1 4.23Å; K430-V470 VanDerWaalsContact CE-CG1 3.45Å; K430-V470 HydrophobicContact CG-CG1 3.87Å; K430-V470 HydrophobicContact CG-CG2 4.37Å; M466-V470 WeakPolarHBondContact O-CG2 3.36Å; M466-V470 PolarHBondContact O-N 2.99Å; N467-V470 PolarHBondContact O-N 2.89Å; D468-V470 VanDerWaalsContact C-N 3.33Å; D468-V470 PolarHBondContact O-N 3.03Å; V470-Y473 PolarHBondContact O-N 3.44Å; V470-Q474 PolarHBondContact O-N 3.16Å
471	S	94.1	Very high	90.5	Very high	70 Å²	70	44 Å²	44	49%	0.49	24%	0.243	S	C	.	.	H	α-helix	trans	-67.9	-39.6	178.8	-56.9	0	0	0	0	111.8	N467 D468 L469 Q474 Q475	N467-S471 WeakPolarHBondContact O-CB 3.45Å; N467-S471 PolarHBondContact O-N 3.29Å; N467-S471 PolarHBondContact O-OG 3.26Å; D468-S471 CarbonylContact O-C 3.59Å; D468-S471 WeakPolarHBondContact O-CA 3.31Å; D468-S471 WeakPolarHBondContact O-CB 3.48Å; D468-S471 PolarHBondContact O-N 3.26Å; L469-S471 VanDerWaalsContact C-N 3.28Å; L469-S471 PolarHBondContact O-N 3.36Å; S471-Q474 WeakPolarHBondContact O-CB 3.45Å; S471-Q474 PolarHBondContact O-N 3.05Å; S471-Q474 VanDerWaalsContact O-N 3.16Å; S471-Q475 PolarHBondContact O-N 3.07Å
472	E	93.5	Very high	88.7	Confident	42 Å²	42	48 Å²	48	20%	0.196	26%	0.262	C	S	.	.	H	α-helix	trans	-59.5	-47.4	173.3	-71.9	-179.8	179.5	0	0	111.1	R313 L314 D468 L469 Q474 Q475 Y476	R313-E472 WeakPolarHBondContact CB-OE2 3.46Å; R313-E472 WeakPolarHBondContact CD-OE1 3.47Å; R313-E472 IonicContact CZ-OE1 2.71Å; R313-E472 IonicContact NE-OE1 3.68Å; R313-E472 PolarHBondContact NE-OE1 3.32Å; R313-E472 IonicContact NE-OE2 3.02Å; R313-E472 IonicContact NH1-OE1 3.55Å; R313-E472 PolarHBondContact NH1-OE1 3.33Å; L314-E472 HydrophobicContact CD2-CB 4.09Å; D468-E472 WeakPolarHBondContact O-CG 3.34Å; D468-E472 PolarHBondContact O-N 2.79Å; L469-E472 PolarHBondContact O-N 3.05Å; E472-Q474 VanDerWaalsContact C-N 3.27Å; E472-Q474 PolarHBondContact O-N 3.36Å; E472-Q475 WeakPolarHBondContact O-CB 3.38Å; E472-Q475 PolarHBondContact O-N 3.05Å; E472-Y476 WeakPolarHBondContact O-CD2 3.46Å; E472-Y476 PolarHBondContact O-N 3.45Å; E472-Y476 VanDerWaalsContact O-N 3.14Å
473	Y	94.1	Very high	86.7	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-59.8	-37.9	175.1	-83.4	-63.2	0	0	0	112.6	L314 T423 I425 F429 L469 V470 Q477	L314-Y473 HydrophobicContact CB-CE1 4.03Å; L314-Y473 HydrophobicContact CD1-CD1 4.25Å; L314-Y473 HydrophobicContact CD1-CE1 4.25Å; L314-Y473 HydrophobicContact CD2-CD1 3.99Å; L314-Y473 HydrophobicContact CD2-CD2 3.92Å; L314-Y473 HydrophobicContact CD2-CE1 3.8Å; L314-Y473 HydrophobicContact CD2-CE2 3.7Å; L314-Y473 HydrophobicContact CD2-CG 4.06Å; L314-Y473 HydrophobicContact CG-CE1 4.24Å; T423-Y473 HydrophobicContact CG2-CD1 4.38Å; T423-Y473 WeakPolarHBondContact CG2-O 3.36Å; I425-Y473 HydrophobicContact CG2-CD1 4.07Å; I425-Y473 HydrophobicContact CG2-CD2 4Å; I425-Y473 HydrophobicContact CG2-CE1 3.61Å; I425-Y473 HydrophobicContact CG2-CE2 3.56Å; I425-Y473 HydrophobicContact CG2-CG 4.24Å; F429-Y473 HydrophobicContact CD2-CE2 4.43Å; F429-Y473 HydrophobicContact CE2-CE2 4.01Å; L469-Y473 HydrophobicContact CD1-CD2 4.34Å; L469-Y473 HydrophobicContact CD1-CE2 3.91Å; L469-Y473 HydrophobicContact CD2-CE2 4.42Å; L469-Y473 HydrophobicContact CG-CD2 4.14Å; L469-Y473 HydrophobicContact CG-CE2 3.95Å; L469-Y473 VanDerWaalsContact O-CD2 3.28Å; L469-Y473 WeakPolarHBondContact O-CD2 3.41Å; L469-Y473 PolarHBondContact O-N 3.44Å; L469-Y473 VanDerWaalsContact O-N 3.09Å; V470-Y473 PolarHBondContact O-N 3.44Å; Y473-Q477 WeakPolarHBondContact O-CB 3.43Å; Y473-Q477 PolarHBondContact O-N 2.95Å; Y473-Q477 VanDerWaalsContact O-N 3.11Å
474	Q	92.7	Very high	84.3	Confident	57 Å²	57	53.8 Å²	53.8	27%	0.266	29%	0.289	S	S	.	.	H	α-helix	trans	-67.7	-41.9	176.8	-172.8	62.4	56	0	0	111.6	Q426 V470 S471 E472 Y476 Q477 D478	Q426-Q474 VanDerWaalsContact NE2-OE1 3.12Å; Q426-Q474 VanDerWaalsContact OE1-OE1 3.08Å; V470-Q474 PolarHBondContact O-N 3.16Å; S471-Q474 WeakPolarHBondContact O-CB 3.45Å; S471-Q474 PolarHBondContact O-N 3.05Å; S471-Q474 VanDerWaalsContact O-N 3.16Å; E472-Q474 VanDerWaalsContact C-N 3.27Å; E472-Q474 PolarHBondContact O-N 3.36Å; Q474-Y476 PolarHBondContact O-N 3.05Å; Q474-Q477 WeakPolarHBondContact O-CB 3.31Å; Q474-Q477 PolarHBondContact O-N 3.2Å; Q474-D478 VanDerWaalsContact NE2-CG 3.35Å; Q474-D478 PolarHBondContact NE2-OD1 3.09Å; Q474-D478 PolarHBondContact NE2-OD2 2.8Å; Q474-D478 PolarHBondContact O-N 3.24Å; Q474-D478 VanDerWaalsContact O-N 3.13Å
475	Q	92.1	Very high	81.9	Confident	91 Å²	91	53.6 Å²	53.6	43%	0.425	30%	0.297	S	S	.	.	H	α-helix	trans	-57.1	-51.1	177.4	-178.5	-178.6	-1.2	0	0	111.3	S471 E472 Q477 D478 A479	S471-Q475 PolarHBondContact O-N 3.07Å; E472-Q475 WeakPolarHBondContact O-CB 3.38Å; E472-Q475 PolarHBondContact O-N 3.05Å; Q475-Q477 VanDerWaalsContact C-N 3.27Å; Q475-Q477 PolarHBondContact O-N 3.45Å; Q475-D478 PolarHBondContact O-N 2.6Å; Q475-A479 WeakPolarHBondContact O-CB 3.18Å; Q475-A479 PolarHBondContact O-N 3.3Å
476	Y	90.4	Very high	79.3	Confident	50 Å²	50	59.7 Å²	59.7	20%	0.196	32%	0.324	C	S	.	.	H	α-helix	trans	-73	-18.8	179.5	-66.6	-67	0	0	0	114	F311 L314 W395 E472 Q474	F311-Y476 HydrophobicContact CD2-CD1 4.46Å; F311-Y476 HydrophobicContact CD2-CD2 4.26Å; F311-Y476 HydrophobicContact CD2-CE1 4.09Å; F311-Y476 AromaticContact CD2-CE2 3.86Å; F311-Y476 HydrophobicContact CD2-CE2 3.86Å; F311-Y476 AromaticContact CD2-CZ 3.76Å; F311-Y476 AromaticContact CE1-CE1 3.93Å; F311-Y476 HydrophobicContact CE1-CE1 3.93Å; F311-Y476 AromaticContact CE1-CZ 3.78Å; F311-Y476 WeakPolarHBondContact CE1-OH 3.37Å; F311-Y476 AromaticContact CE2-CD1 3.59Å; F311-Y476 HydrophobicContact CE2-CD1 3.59Å; F311-Y476 HydrophobicContact CE2-CD2 4.16Å; F311-Y476 AromaticContact CE2-CE1 3.26Å; F311-Y476 HydrophobicContact CE2-CE1 3.26Å; F311-Y476 AromaticContact CE2-CE2 3.87Å; F311-Y476 HydrophobicContact CE2-CE2 3.87Å; F311-Y476 HydrophobicContact CE2-CG 4.03Å; F311-Y476 AromaticContact CE2-CZ 3.4Å; F311-Y476 VanDerWaalsContact CE2-CZ 3.4Å; F311-Y476 HydrophobicContact CG-CE2 4.26Å; F311-Y476 AromaticContact CZ-CD1 3.91Å; F311-Y476 HydrophobicContact CZ-CD1 3.91Å; F311-Y476 AromaticContact CZ-CE1 3.19Å; F311-Y476 HydrophobicContact CZ-CE1 3.19Å; F311-Y476 HydrophobicContact CZ-CE2 4.35Å; F311-Y476 AromaticContact CZ-CZ 3.45Å; F311-Y476 VanDerWaalsContact CZ-CZ 3.45Å; L314-Y476 HydrophobicContact CD1-CD2 3.43Å; L314-Y476 VanDerWaalsContact CD1-CD2 3.43Å; L314-Y476 HydrophobicContact CD1-CE2 3.72Å; L314-Y476 HydrophobicContact CD1-CG 4.41Å; W395-Y476 HydrophobicContact CZ2-CD1 4.12Å; E472-Y476 WeakPolarHBondContact O-CD2 3.46Å; E472-Y476 PolarHBondContact O-N 3.45Å; E472-Y476 VanDerWaalsContact O-N 3.14Å; Q474-Y476 PolarHBondContact O-N 3.05Å
477	Q	89.8	Confident	77	Confident	29 Å²	29	64.2 Å²	64.2	14%	0.136	34%	0.344	C	S	.	.	H	α-helix	trans	-70	-40.7	172.5	-177.8	168.6	-53.5	0	0	111.5	H358 T423 Y473 Q474 Q475	H358-Q477 PolarHBondContact O-NE2 3.22Å; T423-Q477 HydrophobicContact CG2-CB 3.97Å; T423-Q477 PolarHBondContact OG1-OE1 3.05Å; Y473-Q477 WeakPolarHBondContact O-CB 3.43Å; Y473-Q477 PolarHBondContact O-N 2.95Å; Y473-Q477 VanDerWaalsContact O-N 3.11Å; Q474-Q477 WeakPolarHBondContact O-CB 3.31Å; Q474-Q477 PolarHBondContact O-N 3.2Å; Q475-Q477 VanDerWaalsContact C-N 3.27Å; Q475-Q477 PolarHBondContact O-N 3.45Å
478	D	88.4	Confident	74.7	Confident	98 Å²	98	68.5 Å²	68.5	52%	0.524	36%	0.362	S	S	.	.	H	α-helix	trans	-86.1	-21.8	-177.5	-63.7	-29.5	0	0	0	112.4	Q474 Q475 T480	Q474-D478 VanDerWaalsContact NE2-CG 3.35Å; Q474-D478 PolarHBondContact NE2-OD1 3.09Å; Q474-D478 PolarHBondContact NE2-OD2 2.8Å; Q474-D478 PolarHBondContact O-N 3.24Å; Q474-D478 VanDerWaalsContact O-N 3.13Å; Q475-D478 PolarHBondContact O-N 2.6Å; D478-T480 PolarHBondContact O-N 3.1Å
479	A	82.5	Confident	72	Confident	17 Å²	17	71.8 Å²	71.8	14%	0.14	38%	0.375	C	S	.	.			trans	-53.7	134.5	178.8	0	0	0	0	0	113.1	R360 Q475	R360-A479 PolarHBondContact NH1-O 3.1Å; Q475-A479 WeakPolarHBondContact O-CB 3.18Å; Q475-A479 PolarHBondContact O-N 3.3Å
480	T	74.9	Confident	69.5	Low	59 Å²	59	77.9 Å²	77.9	36%	0.362	40%	0.404	S	S	.	.			trans	-113.9	155.8	174.1	60.8	0	0	0	0	111.4	D478 E482 E483	D478-T480 PolarHBondContact O-N 3.1Å; T480-E482 PolarHBondContact O-N 3.23Å; T480-E482 VanDerWaalsContact O-N 3.08Å; T480-E483 PolarHBondContact N-OE2 3.06Å; T480-E483 VanDerWaalsContact N-OE2 3.12Å; T480-E483 PolarHBondContact O-N 2.92Å; T480-E483 VanDerWaalsContact OG1-CD 3.28Å; T480-E483 PolarHBondContact OG1-OE2 3.32Å
481	A	64.3	Low	67.1	Low	55 Å²	55	80.7 Å²	80.7	46%	0.455	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-14	-177.4	0	0	0	0	0	114.2	W395	W395-A481 HydrophobicContact CB-CB 4.37Å
482	E	57	Low	64.8	Low	183 Å²	183	83.6 Å²	83.6	86%	0.855	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-21.7	175.3	-66.3	-175.3	167.4	0	0	112.5	T480	T480-E482 PolarHBondContact O-N 3.23Å; T480-E482 VanDerWaalsContact O-N 3.08Å
483	E	50.9	Low	62.3	Low	88 Å²	88	89.7 Å²	89.7	41%	0.411	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-31.3	-175.4	-78	166.4	157.6	0	0	112.3	T480 G485 E486 F487	T480-E483 PolarHBondContact N-OE2 3.06Å; T480-E483 VanDerWaalsContact N-OE2 3.12Å; T480-E483 PolarHBondContact O-N 2.92Å; T480-E483 VanDerWaalsContact OG1-CD 3.28Å; T480-E483 PolarHBondContact OG1-OE2 3.32Å; E483-G485 PolarHBondContact O-N 3.18Å; E483-E486 PolarHBondContact O-N 3.48Å; E483-F487 HydrophobicContact CB-CD2 4.37Å; E483-F487 HydrophobicContact CB-CE2 3.98Å; E483-F487 WeakPolarHBondContact O-CD2 3.35Å
484	E	45.3	Very low	59.8	Low	65 Å²	65	97.3 Å²	97.3	30%	0.304	50%	0.503	S	S	.	.	H	α-helix	trans	-56.3	-25.9	-178.7	-80.1	-170.3	153.5	0	0	115.3	W395 E486 F487 E488	W395-E484 WeakPolarHBondContact CB-OE2 3.23Å; E484-E486 PolarHBondContact O-N 3.36Å; E484-F487 PolarHBondContact O-N 3.15Å; E484-E488 PolarHBondContact O-N 2.9Å; E484-E488 VanDerWaalsContact O-N 3.14Å
485	G	44.3	Very low	57.1	Low	55 Å²	55	101.4 Å²	101.4	57%	0.567	55%	0.547	S	S	*	.	H	α-helix	trans	-63.2	-22.6	175.9	0	0	0	0	0	113.9	E483	E483-G485 PolarHBondContact O-N 3.18Å
486	E	40.3	Very low	55.4	Low	143 Å²	143	102 Å²	102	67%	0.668	55%	0.553	S	S	*	*	H	α-helix	trans	-94	-27.3	175.2	-66.2	-174.8	163.9	0	0	112.1	E483 E484 E489 E490	E483-E486 PolarHBondContact O-N 3.48Å; E484-E486 PolarHBondContact O-N 3.36Å; E486-E489 PolarHBondContact O-N 3.47Å; E486-E490 PolarHBondContact O-N 3.29Å
487	F	45.4	Very low	53.5	Low	97 Å²	97	104.7 Å²	104.7	43%	0.425	57%	0.572	S	S	.	*	H	α-helix	trans	-79.5	-28.4	-179.5	-71.8	-95.6	0	0	0	113.6	E483 E484 E489 A491	E483-F487 HydrophobicContact CB-CD2 4.37Å; E483-F487 HydrophobicContact CB-CE2 3.98Å; E483-F487 WeakPolarHBondContact O-CD2 3.35Å; E484-F487 PolarHBondContact O-N 3.15Å; F487-E489 VanDerWaalsContact C-N 3.27Å; F487-A491 PolarHBondContact O-N 3.02Å
488	E	44.7	Very low	51.5	Low	153 Å²	153	108.9 Å²	108.9	72%	0.715	60%	0.596	S	S	*	*	H	α-helix	trans	-66.3	-30.2	169.8	-77.8	-168.2	158.7	0	0	112	E484 E492	E484-E488 PolarHBondContact O-N 2.9Å; E484-E488 VanDerWaalsContact O-N 3.14Å; E488-E492 PolarHBondContact O-N 3.08Å
489	E	40.1	Very low	49.4	Very low	143 Å²	143	109.5 Å²	109.5	67%	0.668	60%	0.6	S	S	*	*	H	α-helix	trans	-74	-39.6	176.4	-72.8	-169.2	162.4	0	0	112	E486 F487 E492 E493	E486-E489 PolarHBondContact O-N 3.47Å; F487-E489 VanDerWaalsContact C-N 3.27Å; E489-E492 PolarHBondContact O-N 3.44Å; E489-E493 PolarHBondContact O-N 2.82Å
490	E	40.6	Very low	47.3	Very low	128 Å²	128	115.3 Å²	115.3	60%	0.598	63%	0.629	S	S	*	*	H	α-helix	trans	-68	-35.9	176.9	-73.4	-169.7	162.9	0	0	113	E486 E492 E493 D494	E486-E490 PolarHBondContact O-N 3.29Å; E490-E492 VanDerWaalsContact C-N 3.32Å; E490-E492 PolarHBondContact O-N 3.39Å; E490-E493 PolarHBondContact O-N 3.11Å; E490-D494 PolarHBondContact O-N 3Å
491	A	44.3	Very low	45.5	Very low	71 Å²	71	119.1 Å²	119.1	59%	0.587	65%	0.647	S	S	*	*	H	α-helix	trans	-71.9	-22.5	177.2	0	0	0	0	0	113.8	F487	F487-A491 PolarHBondContact O-N 3.02Å
492	E	45.2	Very low	44.1	Very low	132 Å²	132	123.6 Å²	123.6	62%	0.617	66%	0.661	S	S	*	*	H	α-helix	trans	-84.1	-19.8	171.3	-76.2	-162.2	155	0	0	113	K18 E488 E489 E490	K18-E492 IonicContact NZ-OE1 3.52Å; K18-E492 PolarHBondContact NZ-OE1 2.64Å; E488-E492 PolarHBondContact O-N 3.08Å; E489-E492 PolarHBondContact O-N 3.44Å; E490-E492 VanDerWaalsContact C-N 3.32Å; E490-E492 PolarHBondContact O-N 3.39Å
493	E	41.1	Very low	43.1	Very low	169 Å²	169	119.1 Å²	119.1	79%	0.79	65%	0.646	S	S	*	*	H	α-helix	trans	-80.7	-25.2	176	-76.8	-163.5	155.4	0	0	113.9	E489 E490	E489-E493 PolarHBondContact O-N 2.82Å; E490-E493 PolarHBondContact O-N 3.11Å
494	D	42.1	Very low	42.5	Very low	160 Å²	160	121.7 Å²	121.7	86%	0.856	67%	0.665	S	S	*	*			trans	-94.7	10.5	180	-85.3	-23.1	0	0	0	114.9	E490	E490-D494 PolarHBondContact O-N 3Å
495	A	36.3	Very low	42.2	Very low	144 Å²	144	126.8 Å²	126.8	100%	1.19	70%	0.698	S	S	*	*			trans	-104.7	0	-177.2	0	0	0	0	0	116

Retrieved 495 of 495 residues in 145.4 ms (Link to these results)

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