A0A060WRF3_ONCMY Loading...

GABA(C) receptor

AlphaFold DB , UniProt , Accession A0A060WRF3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene gabrr3a, Length 475 aa.

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(Predicted Aligned Error values between residue pairs)

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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	44.6	Very low	46.5	Very low	209 Å²	209	117.3 Å²	117.3	100%	1.03	59%	0.591	S	S	*	*				0	-46	0	-152	157.7	67.7	0	0	114
2	N	44	Very low	46	Very low	136 Å²	136	115 Å²	115	73%	0.727	59%	0.592	S	S	*	*	H	α-helix	trans	-75.6	-30.3	-176.4	-72.4	-14.5	0	0	0	115.6	L6	N2-L6 WeakPolarHBondContact O-CB 3.5Å; N2-L6 PolarHBondContact O-N 3.44Å; N2-L6 VanDerWaalsContact O-N 3.1Å
3	L	42.1	Very low	45.5	Very low	130 Å²	130	116.1 Å²	116.1	68%	0.681	60%	0.599	S	S	*	*	H	α-helix	trans	-74.1	-34.6	-176.5	-139.6	84.1	0	0	0	113.3	L6 A7	L3-L6 PolarHBondContact O-N 3.49Å; L3-A7 WeakPolarHBondContact O-CB 3.3Å; L3-A7 PolarHBondContact O-N 3.26Å
4	V	47.5	Very low	45.1	Very low	100 Å²	100	113.9 Å²	113.9	61%	0.606	61%	0.606	S	S	*	*	H	α-helix	trans	-70.8	-40.1	180	179	0	0	0	0	110.7	L6 A7 F8	V4-L6 VanDerWaalsContact C-N 3.35Å; V4-A7 PolarHBondContact O-N 3.48Å; V4-F8 PolarHBondContact O-N 3.2Å
5	L	51.8	Low	44.9	Very low	102 Å²	102	119.9 Å²	119.9	53%	0.534	62%	0.617	S	S	.	*	H	α-helix	trans	-69.2	-34.6	174.1	-155.3	80.3	0	0	0	111.7	F8 R9	L5-F8 PolarHBondContact O-N 3.49Å; L5-R9 WeakPolarHBondContact O-CB 3.3Å; L5-R9 WeakPolarHBondContact O-CG 3.37Å; L5-R9 PolarHBondContact O-N 3.47Å
6	L	48.7	Very low	44.5	Very low	98 Å²	98	121.2 Å²	121.2	51%	0.513	63%	0.625	S	S	.	*	H	α-helix	trans	-68	-41.8	175	-158.3	86.2	0	0	0	111.4	N2 L3 V4 F8 R9 L10	N2-L6 WeakPolarHBondContact O-CB 3.5Å; N2-L6 PolarHBondContact O-N 3.44Å; N2-L6 VanDerWaalsContact O-N 3.1Å; L3-L6 PolarHBondContact O-N 3.49Å; V4-L6 VanDerWaalsContact C-N 3.35Å; L6-F8 VanDerWaalsContact C-N 3.34Å; L6-R9 PolarHBondContact O-N 3.03Å; L6-L10 HydrophobicContact CD2-CD1 4.05Å; L6-L10 HydrophobicContact CG-CD1 4.01Å; L6-L10 WeakPolarHBondContact O-CB 3.45Å; L6-L10 WeakPolarHBondContact O-CD1 3.29Å; L6-L10 WeakPolarHBondContact O-CG 3.28Å; L6-L10 PolarHBondContact O-N 3.06Å
7	A	48.5	Very low	43.8	Very low	33 Å²	33	123.9 Å²	123.9	27%	0.273	64%	0.639	S	S	.	*	H	α-helix	trans	-63.3	-39.9	174.8	0	0	0	0	0	111.7	L3 V4 L10 M11	L3-A7 WeakPolarHBondContact O-CB 3.3Å; L3-A7 PolarHBondContact O-N 3.26Å; V4-A7 PolarHBondContact O-N 3.48Å; A7-L10 PolarHBondContact O-N 3.36Å; A7-M11 WeakPolarHBondContact O-CG 3.47Å; A7-M11 PolarHBondContact O-N 3.24Å
8	F	49.9	Very low	43.2	Very low	140 Å²	140	123.3 Å²	123.3	61%	0.614	65%	0.645	S	S	*	*	H	α-helix	trans	-65.4	-39.3	174.7	-147.7	-92.2	0	0	0	112.1	V4 L5 L6 M11 C12	V4-F8 PolarHBondContact O-N 3.2Å; L5-F8 PolarHBondContact O-N 3.49Å; L6-F8 VanDerWaalsContact C-N 3.34Å; F8-M11 HydrophobicContact CD2-CE 4.17Å; F8-C12 PolarHBondContact O-N 2.97Å
9	R	40.4	Very low	42.4	Very low	170 Å²	170	123.5 Å²	123.5	64%	0.642	65%	0.652	S	S	*	*	H	α-helix	trans	-70.3	-36.5	175	-74.9	-178.1	179.7	-154.6	1	113.2	L5 L6 C12 L13	L5-R9 WeakPolarHBondContact O-CB 3.3Å; L5-R9 WeakPolarHBondContact O-CG 3.37Å; L5-R9 PolarHBondContact O-N 3.47Å; L6-R9 PolarHBondContact O-N 3.03Å; R9-C12 PolarHBondContact O-N 3.47Å; R9-L13 PolarHBondContact O-N 2.94Å
10	L	49	Very low	41.7	Very low	105 Å²	105	124.4 Å²	124.4	55%	0.55	66%	0.662	S	S	.	*	H	α-helix	trans	-69.7	-36.4	177.3	-81.3	158.8	0	0	0	112	L6 A7 C12 L13 A14	L6-L10 HydrophobicContact CD2-CD1 4.05Å; L6-L10 HydrophobicContact CG-CD1 4.01Å; L6-L10 WeakPolarHBondContact O-CB 3.45Å; L6-L10 WeakPolarHBondContact O-CD1 3.29Å; L6-L10 WeakPolarHBondContact O-CG 3.28Å; L6-L10 PolarHBondContact O-N 3.06Å; A7-L10 PolarHBondContact O-N 3.36Å; L10-C12 VanDerWaalsContact C-N 3.31Å; L10-C12 PolarHBondContact O-N 3.39Å; L10-L13 PolarHBondContact O-N 3.43Å; L10-A14 PolarHBondContact O-N 2.94Å
11	M	44.9	Very low	41.1	Very low	67 Å²	67	125.9 Å²	125.9	33%	0.33	67%	0.669	S	S	.	*	H	α-helix	trans	-64.4	-33.4	173.3	-77.2	-169.5	-60.8	0	0	112.8	A7 F8 F281	A7-M11 WeakPolarHBondContact O-CG 3.47Å; A7-M11 PolarHBondContact O-N 3.24Å; F8-M11 HydrophobicContact CD2-CE 4.17Å; M11-F281 HydrophobicContact CG-CE2 4.43Å; M11-F281 HydrophobicContact SD-CD2 3.41Å; M11-F281 WeakPolarHBondContact SD-CD2 3.43Å; M11-F281 HydrophobicContact SD-CE2 3.78Å; M11-F281 HydrophobicContact SD-CG 4.38Å
12	C	40.3	Very low	40.2	Very low	90 Å²	90	125.2 Å²	125.2	61%	0.608	66%	0.663	S	S	*	*	H	α-helix	trans	-72.1	-27.1	174.5	-75.2	0	0	0	0	113.6	F8 R9 L10	F8-C12 PolarHBondContact O-N 2.97Å; R9-C12 PolarHBondContact O-N 3.47Å; L10-C12 VanDerWaalsContact C-N 3.31Å; L10-C12 PolarHBondContact O-N 3.39Å
13	L	39.8	Very low	39.3	Very low	129 Å²	129	125.3 Å²	125.3	68%	0.675	66%	0.664	S	S	*	*	H	α-helix	trans	-84.2	-18.4	-179.1	-78.3	161.2	0	0	0	113.4	R9 L10 W15	R9-L13 PolarHBondContact O-N 2.94Å; L10-L13 PolarHBondContact O-N 3.43Å; L13-W15 PolarHBondContact O-N 3.08Å
14	A	40.3	Very low	38.6	Very low	85 Å²	85	122.6 Å²	122.6	70%	0.702	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	-7.4	178.7	0	0	0	0	0	114.4	L10	L10-A14 PolarHBondContact O-N 2.94Å
15	W	41.3	Very low	37.6	Very low	204 Å²	204	122.3 Å²	122.3	77%	0.773	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.9	0.4	-179.5	-88.8	67.3	0	0	0	114.6	L13	L13-W15 PolarHBondContact O-N 3.08Å
16	L	38.2	Very low	36.4	Very low	141 Å²	141	126.1 Å²	126.1	74%	0.738	69%	0.685	S	S	*	*	S	Bend	trans	-141.7	79.9	-177.5	-71.3	169.1	0	0	0	111
17	L	34	Very low	35.7	Very low	167 Å²	167	129.7 Å²	129.7	87%	0.874	70%	0.699	S	S	*	*			trans	177.2	146.8	132.8	-94.5	147.6	0	0	0	112.3
18	P	32.1	Very low	35.4	Very low	113 Å²	113	133.1 Å²	133.1	73%	0.734	72%	0.718	S	S	*	*			trans	-88.9	154.7	179.7	26.2	-12.4	0	0	0	113.4
19	V	28.9	Very low	34.3	Very low	128 Å²	128	132.5 Å²	132.5	78%	0.776	72%	0.721	S	S	*	*			trans	-68.6	136.6	179.3	173	0	0	0	0	112.1
20	T	28.7	Very low	33.7	Very low	141 Å²	141	131.1 Å²	131.1	87%	0.865	72%	0.72	S	S	*	*			trans	-129.1	134	153.5	50.2	0	0	0	0	111.5
21	L	27.2	Very low	32.7	Very low	155 Å²	155	135.6 Å²	135.6	81%	0.812	73%	0.73	S	S	*	*			trans	-79.7	145.5	-176.5	-134.1	86.4	0	0	0	110.9
22	H	26.4	Very low	31.8	Very low	195 Å²	195	141.4 Å²	141.4	90%	0.903	75%	0.753	S	S	*	*			trans	-143	138.1	147.5	-158	56.4	0	0	0	111.8
23	N	25.4	Very low	31.3	Very low	138 Å²	138	145.4 Å²	145.4	74%	0.738	76%	0.763	S	S	*	*			trans	-112.9	153.3	-168.7	-169.8	22.6	0	0	0	108.5
24	G	26.8	Very low	30.6	Very low	74 Å²	74	147.6 Å²	147.6	76%	0.763	77%	0.766	S	S	*	*			trans	172.4	93.6	172.4	0	0	0	0	0	115.3
25	S	26.5	Very low	30	Very low	94 Å²	94	149.5 Å²	149.5	66%	0.657	77%	0.765	S	S	*	*			trans	-74.3	154.2	170.4	47.4	0	0	0	0	113.5
26	H	28.2	Very low	29.4	Very low	182 Å²	182	145 Å²	145	84%	0.843	76%	0.759	S	S	*	*				156.6	125	122.8	-97.1	-81	0	0	0	114.4
27	Q	32.7	Very low	28.8	Very low	172 Å²	172	149.4 Å²	149.4	80%	0.804	77%	0.768	S	S	*	*			trans	-82.7	179.7	151.5	-123.8	173.3	-4.4	0	0	108.5
28	P	41.9	Very low	28.4	Very low	105 Å²	105	149 Å²	149	68%	0.682	77%	0.766	S	S	*	*			cis	-147.7	-170.7	7.8	31.5	-5	0	0	0	116.8
29	N	27.3	Very low	28.1	Very low	127 Å²	127	146.9 Å²	146.9	68%	0.679	77%	0.765	S	S	*	*				107.4	133.9	127.8	-117.9	-12.2	0	0	0	122.4
30	K	28.3	Very low	28	Very low	141 Å²	141	148.3 Å²	148.3	61%	0.613	76%	0.763	S	S	*	*				105.1	125.4	129.3	-87.7	171.7	-176.5	172.6	0	123.1
31	R	27.5	Very low	27.9	Very low	200 Å²	200	148 Å²	148	76%	0.755	76%	0.756	S	S	*	*			trans	86.4	118.6	130	-77.6	170.5	178.9	-174.9	-3.3	118.1
32	K	26.9	Very low	27.8	Very low	189 Å²	189	145.3 Å²	145.3	82%	0.822	75%	0.75	S	S	*	*				83.3	118.4	66.5	-90.7	-166.3	177.4	-176.1	0	113.3
33	H	28.1	Very low	27.9	Very low	174 Å²	174	144.6 Å²	144.6	81%	0.806	74%	0.744	S	S	*	*			trans	178.7	125.7	134	-110.1	-80.3	0	0	0	106.9
34	K	26.4	Very low	28	Very low	174 Å²	174	145.1 Å²	145.1	76%	0.757	75%	0.747	S	S	*	*				49.5	119.6	52.2	-94.4	-165.6	174.7	-163	0	111.3
35	D	26.6	Very low	28	Very low	126 Å²	126	149.3 Å²	149.3	67%	0.674	75%	0.746	S	S	*	*			cis	-160.8	167.9	46.5	-84.2	-51.4	0	0	0	115.4
36	V	28.6	Very low	28	Very low	108 Å²	108	152.9 Å²	152.9	66%	0.655	75%	0.753	S	S	*	*			trans	-51.5	149.4	163.2	170	0	0	0	0	113.8
37	Y	26.6	Very low	27.9	Very low	235 Å²	235	148 Å²	148	92%	0.922	75%	0.751	S	S	*	*			trans	-150.2	146.7	137.8	-97.6	-73.7	0	0	0	113.3
38	L	26.1	Very low	27.6	Very low	159 Å²	159	144 Å²	144	83%	0.832	76%	0.756	S	S	*	*			trans	-82.1	162.5	-171.4	-103.2	108	0	0	0	115.3
39	G	25.1	Very low	27	Very low	68 Å²	68	149.4 Å²	149.4	70%	0.701	76%	0.763	S	S	*	*			trans	103.9	150.3	135.6	0	0	0	0	0	115.6
40	E	26.4	Very low	27.2	Very low	158 Å²	158	150.6 Å²	150.6	74%	0.738	77%	0.768	S	S	*	*			cis	-176.8	150.1	-10.7	-145.8	-170.6	143.2	0	0	106
41	N	26.7	Very low	27.3	Very low	135 Å²	135	150.2 Å²	150.2	72%	0.722	77%	0.773	S	S	*	*			trans	64.1	151.1	152.2	-61.4	-25.7	0	0	0	119.3
42	S	26.2	Very low	27.5	Very low	97 Å²	97	150 Å²	150	68%	0.678	78%	0.777	S	S	*	*			cis	-161.9	145.2	19.2	-164.3	0	0	0	0	112.3
43	K	27.8	Very low	27.8	Very low	181 Å²	181	151.2 Å²	151.2	79%	0.787	78%	0.783	S	S	*	*			trans	13.4	139.8	141.7	-60.1	171.9	178.6	173.3	0	121.5
44	N	27.3	Very low	27.9	Very low	149 Å²	149	151.4 Å²	151.4	80%	0.797	79%	0.786	S	S	*	*				-170.9	119	104.4	-90.1	-16.9	0	0	0	114.5
45	Q	27	Very low	28.1	Very low	161 Å²	161	153.1 Å²	153.1	75%	0.752	79%	0.793	S	S	*	*				2.8	146.6	127.9	-80.2	-178.8	-4.6	0	0	118.4
46	H	26	Very low	28.3	Very low	170 Å²	170	156.1 Å²	156.1	79%	0.787	80%	0.8	S	S	*	*			cis	-174.1	158.4	40.6	-122.3	33.3	0	0	0	110.4
47	G	25.4	Very low	28.5	Very low	79 Å²	79	155.4 Å²	155.4	81%	0.814	80%	0.8	S	S	*	*			trans	120.7	118.4	135.1	0	0	0	0	0	119.7
48	G	27.6	Very low	28.7	Very low	88 Å²	88	151.2 Å²	151.2	91%	0.907	79%	0.794	S	S	*	*			trans	112.8	99.8	139.5	0	0	0	0	0	118.5
49	R	29.2	Very low	29.3	Very low	218 Å²	218	148.5 Å²	148.5	82%	0.823	79%	0.788	S	S	*	*			trans	-95.1	129.3	174.9	-178.6	-175.1	-170	169.1	4	110.7	D51	R49-D51 IonicContact NE-OD2 3.56Å
50	I	32.3	Very low	30.2	Very low	153 Å²	153	151.1 Å²	151.1	79%	0.785	79%	0.791	S	S	*	*			trans	-144.8	111.2	154.2	-56.6	-177.2	0	0	0	108.4	F52	I50-F52 HydrophobicContact CG2-CD2 4.18Å
51	D	28.5	Very low	31	Very low	133 Å²	133	152.5 Å²	152.5	71%	0.711	79%	0.794	S	S	*	*			trans	-74.1	118.6	171.5	-89.7	-49.8	0	0	0	109.9	R49	R49-D51 IonicContact NE-OD2 3.56Å
52	F	32.3	Very low	31.7	Very low	194 Å²	194	151.7 Å²	151.7	85%	0.851	80%	0.799	S	S	*	*			trans	-119.8	110.5	156.3	-103.5	-87.7	0	0	0	108.8	I50 M54	I50-F52 HydrophobicContact CG2-CD2 4.18Å; F52-M54 PolarHBondContact O-N 3.45Å
53	K	34.3	Very low	32.2	Very low	215 Å²	215	154.4 Å²	154.4	94%	0.935	81%	0.805	S	S	*	*			trans	-69.1	94.6	179.6	-163	178	-172.2	178.6	0	109.2
54	M	29.8	Very low	32.6	Very low	179 Å²	179	153.7 Å²	153.7	88%	0.882	81%	0.809	S	S	*	*			trans	-106.1	114.1	170.1	-148.1	153.8	111.9	0	0	108.8	F52 K56	F52-M54 PolarHBondContact O-N 3.45Å; M54-K56 PolarHBondContact O-N 3.47Å
55	K	31.2	Very low	33.2	Very low	209 Å²	209	153.1 Å²	153.1	91%	0.909	81%	0.805	S	S	*	*			trans	-59.7	98.2	177	-172.3	177.4	-177.5	-179.7	0	108.3	S57	K55-S57 PolarHBondContact O-N 3.36Å; K55-S57 VanDerWaalsContact O-N 3.15Å
56	K	29.3	Very low	33.7	Very low	189 Å²	189	154.4 Å²	154.4	82%	0.822	81%	0.808	S	S	*	*			trans	-66.5	110	175.3	-156.6	175.8	-173.4	180	0	107.3	M54 D58	M54-K56 PolarHBondContact O-N 3.47Å; K56-D58 PolarHBondContact O-N 3.36Å
57	S	33.3	Very low	34.5	Very low	93 Å²	93	150.8 Å²	150.8	65%	0.65	80%	0.801	S	S	*	*			trans	-60.1	121.4	166.9	52.5	0	0	0	0	108	K55 S59	K55-S57 PolarHBondContact O-N 3.36Å; K55-S57 VanDerWaalsContact O-N 3.15Å; S57-S59 PolarHBondContact O-N 2.94Å; S57-S59 PolarHBondContact O-OG 3.18Å
58	D	30.4	Very low	35.6	Very low	148 Å²	148	155.7 Å²	155.7	79%	0.791	80%	0.803	S	S	*	*			trans	-50.9	101.6	174.2	-87.4	-39.6	0	0	0	110	K56 T60	K56-D58 PolarHBondContact O-N 3.36Å; D58-T60 PolarHBondContact O-N 3Å
59	S	39.7	Very low	37	Very low	102 Å²	102	155.6 Å²	155.6	71%	0.713	78%	0.779	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	25.6	176.9	-37.5	0	0	0	0	110.9	S57	S57-S59 PolarHBondContact O-N 2.94Å; S57-S59 PolarHBondContact O-OG 3.18Å
60	T	42.7	Very low	38.8	Very low	123 Å²	123	149.7 Å²	149.7	76%	0.755	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.3	6.9	-176.7	-25.5	0	0	0	0	112.2	D58	D58-T60 PolarHBondContact O-N 3Å
61	K	44.2	Very low	40.5	Very low	187 Å²	187	142.7 Å²	142.7	81%	0.813	73%	0.728	S	S	*	*	S	Bend	trans	-132.9	124.5	168.5	-69.5	-175	178.3	-179.2	0	108.6
62	S	41.4	Very low	42.7	Very low	118 Å²	118	144.4 Å²	144.4	83%	0.825	72%	0.724	S	S	*	*	S	Bend	trans	100.1	28.1	173.3	80.1	0	0	0	0	120
63	L	35.9	Very low	44.7	Very low	153 Å²	153	136.6 Å²	136.6	80%	0.801	69%	0.691	S	S	*	*			trans	-128	54.7	142	-105.2	160.5	0	0	0	108.9	I65	L63-I65 HydrophobicContact CD2-CG1 3.89Å; L63-I65 PolarHBondContact O-N 2.91Å
64	L	37	Very low	46.6	Very low	166 Å²	166	133.7 Å²	133.7	87%	0.869	68%	0.681	S	S	*	*			trans	-60.1	93.4	141.9	-80.5	170.3	0	0	0	104.2	K66	L64-K66 PolarHBondContact O-N 3.37Å
65	I	39.2	Very low	48.7	Very low	137 Å²	137	130.6 Å²	130.6	70%	0.703	67%	0.668	S	S	*	*			trans	-54.7	94.3	153	-61.3	169.7	0	0	0	102.4	L63 S67	L63-I65 HydrophobicContact CD2-CG1 3.89Å; L63-I65 PolarHBondContact O-N 2.91Å; I65-S67 PolarHBondContact O-N 3.05Å
66	K	38.6	Very low	50.9	Low	189 Å²	189	124.6 Å²	124.6	82%	0.822	64%	0.643	S	S	*	*			trans	-55	93.6	157.1	-163	-179.8	-173.2	-174.5	0	100.9	L64 E68	L64-K66 PolarHBondContact O-N 3.37Å; K66-E68 VanDerWaalsContact C-N 3.27Å; K66-E68 PolarHBondContact O-N 3.26Å
67	S	42.7	Very low	53.4	Low	93 Å²	93	120.5 Å²	120.5	65%	0.65	63%	0.63	S	S	*	*			trans	-51.2	111.9	165.8	33.6	0	0	0	0	101.7	I65 Q69	I65-S67 PolarHBondContact O-N 3.05Å; S67-Q69 VanDerWaalsContact C-N 3.31Å; S67-Q69 PolarHBondContact O-N 3.17Å
68	E	48.6	Very low	55.9	Low	183 Å²	183	116.8 Å²	116.8	86%	0.855	60%	0.602	S	S	*	*			trans	-47.8	114.8	167.5	-72.4	-166.8	157.7	0	0	103.8	K66 L70	K66-E68 VanDerWaalsContact C-N 3.27Å; K66-E68 PolarHBondContact O-N 3.26Å; E68-L70 VanDerWaalsContact C-N 3.28Å; E68-L70 PolarHBondContact O-N 3.19Å
69	Q	57.2	Low	58.4	Low	85 Å²	85	113.3 Å²	113.3	40%	0.397	59%	0.594	S	S	.	*			trans	-59.7	103.3	-170.6	-148	173.5	11.2	0	0	104	S67 L71 E74	S67-Q69 VanDerWaalsContact C-N 3.31Å; S67-Q69 PolarHBondContact O-N 3.17Å; Q69-L71 CarbonylContact C-O 3.54Å; Q69-L71 WeakPolarHBondContact CG-O 3.43Å; Q69-L71 CarbonylContact O-C 3.32Å; Q69-L71 VanDerWaalsContact O-C 3.32Å; Q69-L71 PolarHBondContact O-N 3.11Å; Q69-E74 PolarHBondContact NE2-OE1 3.25Å
70	L	66.4	Low	60.7	Low	95 Å²	95	113 Å²	113	50%	0.497	58%	0.582	S	S	.	*	S	Bend	trans	-53.8	-33.3	-166	-174.2	98.6	0	0	0	110.2	E68 F127 R135 F137	E68-L70 VanDerWaalsContact C-N 3.28Å; E68-L70 PolarHBondContact O-N 3.19Å; L70-F127 HydrophobicContact CD2-CD2 4.48Å; L70-R135 HydrophobicContact CD2-CG 4.41Å; L70-F137 HydrophobicContact CD2-CE1 4.3Å; L70-F137 HydrophobicContact CD2-CZ 3.91Å
71	L	67.9	Low	63	Low	6 Å²	6	107.5 Å²	107.5	3%	0.031	55%	0.547	C	S	.	.	S	Bend	trans	-108.6	124.8	167.3	-59.3	171.8	0	0	0	107.8	Q69 I73 L125 F127 F137 L141	Q69-L71 CarbonylContact C-O 3.54Å; Q69-L71 WeakPolarHBondContact CG-O 3.43Å; Q69-L71 CarbonylContact O-C 3.32Å; Q69-L71 VanDerWaalsContact O-C 3.32Å; Q69-L71 PolarHBondContact O-N 3.11Å; L71-I73 HydrophobicContact CB-CD1 3.85Å; L71-I73 HydrophobicContact CB-CG1 3.72Å; L71-I73 PolarHBondContact O-N 2.82Å; L71-L125 HydrophobicContact CB-CD2 4.42Å; L71-L125 HydrophobicContact CD1-CD2 4.41Å; L71-L125 HydrophobicContact CD2-CB 4.37Å; L71-L125 HydrophobicContact CD2-CD2 4.33Å; L71-L125 WeakPolarHBondContact CD2-O 3.36Å; L71-F127 HydrophobicContact CD2-CD1 3.95Å; L71-F137 HydrophobicContact CD1-CD1 4.29Å; L71-F137 HydrophobicContact CD1-CE1 3.69Å; L71-F137 HydrophobicContact CD1-CE2 3.96Å; L71-F137 HydrophobicContact CD1-CZ 3.5Å; L71-F137 HydrophobicContact CG-CE1 4.38Å; L71-F137 HydrophobicContact CG-CZ 4.06Å; L71-L141 HydrophobicContact CD1-CD2 3.64Å
72	R	74.1	Confident	65.2	Low	169 Å²	169	99.4 Å²	99.4	64%	0.638	51%	0.514	S	S	*	.			trans	-76.5	62	177.6	-68.7	-175.7	-176.1	-177.9	0.4	111.4	E74 D75 H76	R72-E74 VanDerWaalsContact C-N 3.33Å; R72-E74 PolarHBondContact O-N 2.81Å; R72-D75 HydrophobicContact CB-CB 4.28Å; R72-D75 WeakPolarHBondContact CB-OD2 3.28Å; R72-D75 WeakPolarHBondContact CD-OD2 3.14Å; R72-D75 PolarHBondContact O-N 3.1Å; R72-H76 PolarHBondContact O-ND1 2.83Å
73	I	75.8	Confident	67.3	Low	30 Å²	30	96.7 Å²	96.7	15%	0.154	51%	0.505	C	S	.	.	G	3₁₀ helix	trans	-70.7	-32	-171.7	-60.3	152.1	0	0	0	111.2	L71 D75 F78 L141 K144	L71-I73 HydrophobicContact CB-CD1 3.85Å; L71-I73 HydrophobicContact CB-CG1 3.72Å; L71-I73 PolarHBondContact O-N 2.82Å; I73-D75 VanDerWaalsContact C-N 3.3Å; I73-D75 PolarHBondContact O-N 3.11Å; I73-F78 HydrophobicContact CB-CE2 4.3Å; I73-F78 HydrophobicContact CG2-CD2 4.18Å; I73-F78 HydrophobicContact CG2-CE2 3.94Å; I73-F78 WeakPolarHBondContact O-CE2 3.4Å; I73-L141 HydrophobicContact CD1-CD1 3.29Å; I73-L141 HydrophobicContact CG1-CD1 4.22Å; I73-K144 HydrophobicContact CG2-CB 4.22Å
74	E	72.9	Confident	69.7	Low	153 Å²	153	96.2 Å²	96.2	72%	0.715	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-77.5	-16.5	-178.4	-69.5	172.7	-158	0	0	113.2	Q69 R72	Q69-E74 PolarHBondContact NE2-OE1 3.25Å; R72-E74 VanDerWaalsContact C-N 3.33Å; R72-E74 PolarHBondContact O-N 2.81Å
75	D	74.2	Confident	72	Confident	115 Å²	115	91.7 Å²	91.7	62%	0.615	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-88.4	-10	-177.1	-62.2	-26.6	0	0	0	113	R72 I73	R72-D75 HydrophobicContact CB-CB 4.28Å; R72-D75 WeakPolarHBondContact CB-OD2 3.28Å; R72-D75 WeakPolarHBondContact CD-OD2 3.14Å; R72-D75 PolarHBondContact O-N 3.1Å; I73-D75 VanDerWaalsContact C-N 3.3Å; I73-D75 PolarHBondContact O-N 3.11Å
76	H	78.1	Confident	74.5	Confident	82 Å²	82	87.3 Å²	87.3	38%	0.38	48%	0.479	S	S	.	.	S	Bend	trans	-130.4	143.7	-172.8	-63.9	86.5	0	0	0	112	R72 F78	R72-H76 PolarHBondContact O-ND1 2.83Å; H76-F78 HydrophobicContact CB-CD2 4.39Å; H76-F78 HydrophobicContact CB-CE2 3.73Å; H76-F78 HydrophobicContact CB-CZ 3.93Å; H76-F78 WeakPolarHBondContact O-CD2 3.34Å
77	D	81.1	Confident	77.1	Confident	103 Å²	103	82.5 Å²	82.5	55%	0.551	47%	0.474	S	S	*	.			trans	-85.6	112.4	171.7	-173.8	3.6	0	0	0	110.7	A79 R124	D77-A79 WeakPolarHBondContact OD1-CB 3.22Å; D77-A79 PolarHBondContact OD1-N 3.04Å; D77-R124 PolarHBondContact O-NH1 2.93Å
78	F	84.9	Confident	79.5	Confident	16 Å²	16	79.7 Å²	79.7	7%	0.07	46%	0.457	C	S	.	.			trans	-93.9	7	177.9	-68.7	-80.1	0	0	0	113.7	I73 H76 M80 R124 L125 K144 I145 W146	I73-F78 HydrophobicContact CB-CE2 4.3Å; I73-F78 HydrophobicContact CG2-CD2 4.18Å; I73-F78 HydrophobicContact CG2-CE2 3.94Å; I73-F78 WeakPolarHBondContact O-CE2 3.4Å; H76-F78 HydrophobicContact CB-CD2 4.39Å; H76-F78 HydrophobicContact CB-CE2 3.73Å; H76-F78 HydrophobicContact CB-CZ 3.93Å; H76-F78 WeakPolarHBondContact O-CD2 3.34Å; F78-M80 PolarHBondContact O-N 3.49Å; F78-R124 HydrophobicContact CE1-CB 4.12Å; F78-R124 HydrophobicContact CZ-CB 4.21Å; F78-L125 HydrophobicContact CE1-CD1 4.12Å; F78-L125 HydrophobicContact CE1-CD2 3.77Å; F78-L125 HydrophobicContact CE1-CG 3.81Å; F78-L125 HydrophobicContact CZ-CD2 3.69Å; F78-L125 HydrophobicContact CZ-CG 4.18Å; F78-K144 WeakPolarHBondContact CB-O 3.45Å; F78-I145 HydrophobicContact CD1-CB 4.19Å; F78-I145 HydrophobicContact CD1-CG2 4.3Å; F78-I145 HydrophobicContact CE1-CG2 4.43Å; F78-I145 HydrophobicContact CG-CB 4.48Å; F78-W146 VanDerWaalsContact O-CB 3.29Å; F78-W146 WeakPolarHBondContact O-CB 3.44Å; F78-W146 PolarHBondContact O-N 3.19Å
79	A	84.1	Confident	81.7	Confident	74 Å²	74	71.7 Å²	71.7	61%	0.612	42%	0.42	S	S	*	.	S	Bend	trans	-67.2	-27.1	173.7	0	0	0	0	0	112.2	D77	D77-A79 WeakPolarHBondContact OD1-CB 3.22Å; D77-A79 PolarHBondContact OD1-N 3.04Å
80	M	87	Confident	83.5	Confident	95 Å²	95	70.9 Å²	70.9	47%	0.468	42%	0.422	S	S	.	.	S	Bend	trans	-106.8	154.2	-177.6	-58.8	-174.9	-170.9	0	0	112.8	F78 F84 R124 W146	F78-M80 PolarHBondContact O-N 3.49Å; M80-F84 HydrophobicContact SD-CD1 4.31Å; M80-F84 HydrophobicContact SD-CD2 4.49Å; M80-F84 HydrophobicContact SD-CG 4.26Å; M80-R124 PolarHBondContact O-NH2 3.28Å; M80-W146 VanDerWaalsContact C-CD1 3.48Å
81	R	90.9	Very high	85	Confident	8 Å²	8	66.3 Å²	66.3	3%	0.03	40%	0.398	C	S	.	.			trans	-59.7	142	175.2	79.7	176.7	175.6	107.2	4.7	111.2	G83 F84 G86 A87 I89 W146 Y213 D217	R81-G83 PolarHBondContact O-N 2.98Å; R81-F84 HydrophobicContact CG-CD2 4.35Å; R81-F84 PolarHBondContact O-N 3.48Å; R81-G86 PolarHBondContact NH2-O 3.48Å; R81-A87 PolarHBondContact NH1-O 2.96Å; R81-I89 HydrophobicContact CB-CD1 3.56Å; R81-I89 HydrophobicContact CG-CD1 3.73Å; R81-W146 HydrophobicContact CB-CD2 4.29Å; R81-W146 HydrophobicContact CB-CH2 4.16Å; R81-W146 HydrophobicContact CB-CZ2 3.49Å; R81-W146 VanDerWaalsContact CB-CZ2 3.49Å; R81-Y213 HydrophobicContact CB-CE1 4.48Å; R81-D217 VanDerWaalsContact CZ-CA 3.48Å; R81-D217 IonicContact CZ-OD1 3.18Å; R81-D217 IonicContact NE-OD1 3.31Å; R81-D217 PolarHBondContact NE-OD1 3.07Å; R81-D217 VanDerWaalsContact NE-OD1 3.08Å; R81-D217 PolarHBondContact NH1-O 3.06Å; R81-D217 IonicContact NH2-OD1 3.51Å; R81-D217 PolarHBondContact NH2-OD1 3.4Å
82	P	90.6	Very high	86.4	Confident	17 Å²	17	66 Å²	66	11%	0.11	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	136.1	177.1	22.2	-29.9	0	0	0	110.7	I89 D122 W146	P82-I89 HydrophobicContact CG-CD1 3.77Å; P82-I89 WeakPolarHBondContact O-CD1 3.41Å; P82-D122 HydrophobicContact CB-CB 4.34Å; P82-D122 HydrophobicContact CG-CB 4.3Å; P82-W146 HydrophobicContact CG-CE3 4.13Å; P82-W146 HydrophobicContact CG-CZ3 4.2Å
83	G	86.3	Confident	87.4	Confident	61 Å²	61	58 Å²	58	63%	0.629	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.6	31.6	-176.2	0	0	0	0	0	114.2	R81 G85 G86	R81-G83 PolarHBondContact O-N 2.98Å; G83-G85 PolarHBondContact O-N 2.97Å; G83-G86 WeakPolarHBondContact O-CA 3Å; G83-G86 PolarHBondContact O-N 3.13Å
84	F	86.8	Confident	88.4	Confident	143 Å²	143	57 Å²	57	63%	0.627	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.5	132.3	176.6	-177	-98.6	0	0	0	112.6	M80 R81 G86	M80-F84 HydrophobicContact SD-CD1 4.31Å; M80-F84 HydrophobicContact SD-CD2 4.49Å; M80-F84 HydrophobicContact SD-CG 4.26Å; R81-F84 HydrophobicContact CG-CD2 4.35Å; R81-F84 PolarHBondContact O-N 3.48Å; F84-G86 VanDerWaalsContact C-N 3.27Å
85	G	85.1	Confident	89.5	Confident	72 Å²	72	49.7 Å²	49.7	74%	0.742	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	-3.1	-174.5	0	0	0	0	0	114.8	G83	G83-G85 PolarHBondContact O-N 2.97Å
86	G	90.8	Very high	90.4	Very high	45 Å²	45	46 Å²	46	46%	0.464	31%	0.306	S	S	.	.	S	Bend	trans	-96.4	-161.1	172.9	0	0	0	0	0	113.7	R81 G83 F84	R81-G86 PolarHBondContact NH2-O 3.48Å; G83-G86 WeakPolarHBondContact O-CA 3Å; G83-G86 PolarHBondContact O-N 3.13Å; F84-G86 VanDerWaalsContact C-N 3.27Å
87	A	93.4	Very high	91.1	Very high	88 Å²	88	42.1 Å²	42.1	73%	0.727	29%	0.288	S	S	*	.	S	Bend	trans	-60.8	163.2	178.4	0	0	0	0	0	113	R81 I89	R81-A87 PolarHBondContact NH1-O 2.96Å; A87-I89 PolarHBondContact O-N 3.12Å
88	A	93.4	Very high	91.6	Very high	34 Å²	34	40.1 Å²	40.1	28%	0.281	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-59.1	137.3	174.5	0	0	0	0	0	110.7	P90 E215 N216 M219	A88-P90 WeakPolarHBondContact O-CD 3.14Å; A88-E215 WeakPolarHBondContact CB-O 3.44Å; A88-N216 VanDerWaalsContact CA-O 3.24Å; A88-N216 WeakPolarHBondContact CA-O 3.49Å; A88-N216 WeakPolarHBondContact CB-O 3.34Å; A88-N216 PolarHBondContact N-O 3Å; A88-M219 HydrophobicContact CB-CB 4.25Å
89	I	94.3	Very high	91.9	Very high	15 Å²	15	40.9 Å²	40.9	8%	0.077	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	123.4	178.5	-61.6	161.9	0	0	0	108.4	R81 P82 A87 V91 W146 D217 M219	R81-I89 HydrophobicContact CB-CD1 3.56Å; R81-I89 HydrophobicContact CG-CD1 3.73Å; P82-I89 HydrophobicContact CG-CD1 3.77Å; P82-I89 WeakPolarHBondContact O-CD1 3.41Å; A87-I89 PolarHBondContact O-N 3.12Å; I89-V91 HydrophobicContact CG2-CG2 4.17Å; I89-V91 PolarHBondContact O-N 2.98Å; I89-W146 HydrophobicContact CD1-CH2 3.97Å; I89-W146 HydrophobicContact CD1-CZ2 4.5Å; I89-W146 HydrophobicContact CD1-CZ3 4.35Å; I89-D217 PolarHBondContact N-O 3.06Å; I89-M219 PolarHBondContact O-N 3.47Å
90	P	95.7	Very high	92.2	Very high	67 Å²	67	38.2 Å²	38.2	44%	0.435	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	116.5	173.5	29.8	-33	0	0	0	109.8	A88 M219 Y221	A88-P90 WeakPolarHBondContact O-CD 3.14Å; P90-M219 HydrophobicContact CB-CE 3.93Å; P90-Y221 HydrophobicContact CB-CD1 4.45Å; P90-Y221 HydrophobicContact CB-CE1 3.7Å
91	V	96.9	Very high	92.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	109.6	174.5	-178.7	0	0	0	0	109.2	I89 I93 H118 Y119 W120 P148 L218 M219 L220 Y221	I89-V91 HydrophobicContact CG2-CG2 4.17Å; I89-V91 PolarHBondContact O-N 2.98Å; V91-I93 HydrophobicContact CG1-CD1 4.01Å; V91-H118 HydrophobicContact CG1-CB 4.45Å; V91-Y119 WeakPolarHBondContact CA-O 3.34Å; V91-W120 HydrophobicContact CG2-CB 4.27Å; V91-P148 HydrophobicContact CG1-CB 4.19Å; V91-P148 HydrophobicContact CG1-CG 3.92Å; V91-P148 HydrophobicContact CG2-CB 3.99Å; V91-P148 HydrophobicContact CG2-CG 4.26Å; V91-L218 HydrophobicContact CB-CD2 4.25Å; V91-L218 HydrophobicContact CG2-CD1 4.28Å; V91-L218 HydrophobicContact CG2-CD2 4.04Å; V91-L218 HydrophobicContact CG2-CG 3.97Å; V91-M219 PolarHBondContact N-O 2.93Å; V91-L220 HydrophobicContact CB-CD2 4.08Å; V91-L220 HydrophobicContact CG1-CD2 4.12Å; V91-Y221 VanDerWaalsContact C-CE1 3.43Å; V91-Y221 WeakPolarHBondContact O-CD1 3.33Å; V91-Y221 PolarHBondContact O-N 3.3Å; V91-Y221 VanDerWaalsContact O-N 3.14Å
92	G	96.8	Very high	92.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	128.8	178.3	0	0	0	0	0	111.4	Y119 Y221	G92-Y119 PolarHBondContact N-O 3.18Å; G92-Y119 PolarHBondContact O-N 3.32Å; G92-Y221 CarbonylContact C-O 3.3Å; G92-Y221 WeakPolarHBondContact CA-O 3.47Å
93	I	96.9	Very high	92.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	137.2	179.7	-52.8	-61.3	0	0	0	110.4	V91 V95 L116 H118 V150 L220 Y221 W222 K223 S228 L262	V91-I93 HydrophobicContact CG1-CD1 4.01Å; I93-V95 HydrophobicContact CG2-CG2 4.05Å; I93-L116 HydrophobicContact CG2-CD1 3.77Å; I93-H118 WeakPolarHBondContact CD1-CD2 3.42Å; I93-V150 HydrophobicContact CD1-CG2 4.21Å; I93-L220 HydrophobicContact CD1-CD2 3.93Å; I93-L220 HydrophobicContact CG1-CD2 4.04Å; I93-Y221 PolarHBondContact N-O 3.03Å; I93-W222 HydrophobicContact CB-CE3 4.28Å; I93-W222 HydrophobicContact CB-CZ3 4.31Å; I93-W222 HydrophobicContact CG2-CE3 4.27Å; I93-W222 HydrophobicContact CG2-CH2 4.5Å; I93-W222 HydrophobicContact CG2-CZ3 3.81Å; I93-K223 PolarHBondContact O-N 3.23Å; I93-S228 PolarHBondContact O-OG 3.02Å; I93-L262 HydrophobicContact CB-CD1 3.7Å; I93-L262 HydrophobicContact CG1-CD1 3.51Å; I93-L262 HydrophobicContact CG2-CD1 4.24Å
94	D	95.8	Very high	92.5	Very high	8 Å²	8	38.8 Å²	38.8	4%	0.043	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	130.9	173.5	178.5	62.7	0	0	0	107.6	R117 Y119 S228	D94-R117 HydrophobicContact CB-CB 4.06Å; D94-R117 PolarHBondContact N-O 3.5Å; D94-R117 WeakPolarHBondContact O-CB 3.28Å; D94-R117 PolarHBondContact O-N 3.19Å; D94-R117 VanDerWaalsContact OD2-CD 3.22Å; D94-R117 WeakPolarHBondContact OD2-CD 3.26Å; D94-R117 IonicContact OD2-CZ 3.77Å; D94-R117 IonicContact OD2-NH1 3.76Å; D94-R117 PolarHBondContact OD2-NH1 3.31Å; D94-Y119 HydrophobicContact CB-CE2 3.77Å; D94-S228 CarbonylContact C-O 3.56Å; D94-S228 WeakPolarHBondContact OD1-CA 3.41Å; D94-S228 VanDerWaalsContact OD1-O 3.08Å
95	V	95.8	Very high	92.6	Very high	0 Å²	0	33 Å²	33	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	126.4	-175.3	174.6	0	0	0	0	109	I93 V97 L114 Y115 L116 W222 S228 L229 R230 I264	I93-V95 HydrophobicContact CG2-CG2 4.05Å; V95-V97 HydrophobicContact CG1-CG2 4.33Å; V95-L114 HydrophobicContact CG1-CB 4.24Å; V95-L114 HydrophobicContact CG1-CD1 4.32Å; V95-L114 HydrophobicContact CG1-CD2 4.16Å; V95-L114 HydrophobicContact CG1-CG 4.49Å; V95-Y115 WeakPolarHBondContact CA-O 3.48Å; V95-L116 HydrophobicContact CG2-CD1 3.64Å; V95-W222 HydrophobicContact CB-CZ3 4.49Å; V95-W222 HydrophobicContact CG2-CH2 4.33Å; V95-W222 HydrophobicContact CG2-CZ3 3.99Å; V95-S228 PolarHBondContact N-O 3.25Å; V95-S228 VanDerWaalsContact O-O 3.1Å; V95-L229 HydrophobicContact CB-CD1 4.16Å; V95-L229 HydrophobicContact CG1-CD1 4.07Å; V95-L229 WeakPolarHBondContact O-CA 3.22Å; V95-R230 PolarHBondContact O-N 3.37Å; V95-I264 HydrophobicContact CB-CD1 4.13Å; V95-I264 HydrophobicContact CG1-CD1 3.87Å; V95-I264 HydrophobicContact CG2-CD1 4.01Å
96	Q	94	Very high	92.8	Very high	37 Å²	37	33.9 Å²	33.9	17%	0.173	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	112.9	169.3	-179.9	174.5	-1.5	0	0	108.9	E98 L114 Y115 R230 D232	Q96-E98 PolarHBondContact O-N 3Å; Q96-L114 CarbonylContact O-C 3.6Å; Q96-L114 WeakPolarHBondContact O-CA 3.38Å; Q96-Y115 HydrophobicContact CB-CD2 4.43Å; Q96-Y115 HydrophobicContact CG-CD2 4.42Å; Q96-Y115 PolarHBondContact N-O 3.08Å; Q96-Y115 PolarHBondContact O-N 2.94Å; Q96-R230 CarbonylContact C-O 3.59Å; Q96-R230 VanDerWaalsContact CA-O 3.26Å; Q96-R230 WeakPolarHBondContact CA-O 3.39Å; Q96-R230 HydrophobicContact CG-CB 4.48Å; Q96-D232 PolarHBondContact NE2-OD2 3.05Å
97	V	93.3	Very high	92.8	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	123.4	176.8	-172.1	0	0	0	0	108.2	V95 L229 R230 T231 I234 F266	V95-V97 HydrophobicContact CG1-CG2 4.33Å; V97-L229 HydrophobicContact CG2-CD1 4.04Å; V97-R230 PolarHBondContact N-O 2.8Å; V97-T231 WeakPolarHBondContact CB-OG1 3.37Å; V97-I234 HydrophobicContact CB-CD1 3.99Å; V97-I234 HydrophobicContact CG1-CD1 3.56Å; V97-F266 HydrophobicContact CG2-CE1 4.38Å; V97-F266 HydrophobicContact CG2-CZ 4.24Å
98	E	91.1	Very high	92.7	Very high	62 Å²	62	34.3 Å²	34.3	29%	0.29	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-48.5	178.5	-175.3	-178.5	-173.8	0	0	110.4	Q96 T113 Y115 R183	Q96-E98 PolarHBondContact O-N 3Å; E98-T113 HydrophobicContact CB-CG2 4.44Å; E98-T113 WeakPolarHBondContact CB-O 3.34Å; E98-T113 PolarHBondContact N-O 2.9Å; E98-T113 WeakPolarHBondContact OE2-CG2 3.33Å; E98-Y115 HydrophobicContact CB-CE2 4.26Å; E98-Y115 HydrophobicContact CG-CE2 4.38Å; E98-R183 IonicContact OE1-CZ 3.42Å; E98-R183 VanDerWaalsContact OE1-CZ 3.31Å; E98-R183 IonicContact OE1-NE 2.75Å; E98-R183 IonicContact OE1-NH2 3.48Å; E98-R183 PolarHBondContact OE1-NH2 2.98Å; E98-R183 IonicContact OE2-CZ 3.77Å; E98-R183 IonicContact OE2-NE 2.9Å; E98-R183 PolarHBondContact OE2-NE 2.92Å; E98-R183 IonicContact OE2-NH2 3.39Å; E98-R183 PolarHBondContact OE2-NH2 2.88Å
99	S	90.6	Very high	92.8	Very high	32 Å²	32	33.4 Å²	33.4	22%	0.224	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	155.2	-179.8	56.5	0	0	0	0	111.8	D101 M112 T113	S99-D101 PolarHBondContact OG-OD1 3.09Å; S99-M112 CarbonylContact O-C 3.54Å; S99-M112 WeakPolarHBondContact O-CA 3.48Å; S99-M112 WeakPolarHBondContact O-CB 3.49Å; S99-T113 PolarHBondContact N-O 3.22Å; S99-T113 VanDerWaalsContact N-O 3.16Å; S99-T113 PolarHBondContact O-N 2.94Å
100	I	90.8	Very high	92.8	Very high	18 Å²	18	32.8 Å²	32.8	9%	0.092	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	109.2	161.2	-58.5	178.4	0	0	0	106.1	I103 T111 M112 L236 I241 L268	I100-I103 HydrophobicContact CG2-CD1 4.34Å; I100-I103 HydrophobicContact CG2-CG1 4.08Å; I100-T111 CarbonylContact C-O 3.58Å; I100-M112 HydrophobicContact CG1-CB 4.33Å; I100-L236 HydrophobicContact CB-CD2 3.78Å; I100-L236 HydrophobicContact CB-CG 4.25Å; I100-L236 HydrophobicContact CD1-CD1 4.31Å; I100-L236 HydrophobicContact CD1-CD2 4.22Å; I100-L236 HydrophobicContact CG2-CD2 3.69Å; I100-I241 HydrophobicContact CD1-CD1 3.98Å; I100-I241 HydrophobicContact CD1-CG1 4.49Å; I100-L268 HydrophobicContact CD1-CD2 4.45Å
101	D	87.6	Confident	92.7	Very high	83 Å²	83	30.4 Å²	30.4	44%	0.444	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	-40.7	-167.1	-58.6	-41	0	0	0	111.9	S99 T111 T113	S99-D101 PolarHBondContact OG-OD1 3.09Å; D101-T111 HydrophobicContact CB-CG2 4.24Å; D101-T111 PolarHBondContact N-O 3.37Å; D101-T113 PolarHBondContact OD2-OG1 3.41Å
102	S	89.4	Confident	92.5	Very high	59 Å²	59	30.5 Å²	30.5	41%	0.413	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	149.3	177.8	64.3	0	0	0	0	112.2	F110 T111	S102-F110 CarbonylContact O-C 3.55Å; S102-F110 WeakPolarHBondContact O-CA 3.43Å; S102-T111 PolarHBondContact N-O 2.91Å; S102-T111 PolarHBondContact O-N 3.26Å; S102-T111 PolarHBondContact OG-OG1 3.44Å
103	I	92.2	Very high	92.3	Very high	22 Å²	22	30.7 Å²	30.7	11%	0.113	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	115.3	170.9	-62.6	166.2	0	0	0	106.1	I100 F110 M192 L236 F239 L268	I100-I103 HydrophobicContact CG2-CD1 4.34Å; I100-I103 HydrophobicContact CG2-CG1 4.08Å; I103-F110 HydrophobicContact CG1-CB 4.18Å; I103-M192 HydrophobicContact CG2-CE 3.6Å; I103-M192 HydrophobicContact CG2-SD 4.17Å; I103-L236 HydrophobicContact CD1-CD2 3.51Å; I103-L236 HydrophobicContact CG1-CD2 4.41Å; I103-F239 HydrophobicContact CB-CE2 4.2Å; I103-F239 HydrophobicContact CD1-CB 4.35Å; I103-F239 HydrophobicContact CD1-CD2 3.5Å; I103-F239 HydrophobicContact CD1-CE2 3.97Å; I103-F239 HydrophobicContact CD1-CG 4.01Å; I103-F239 HydrophobicContact CG2-CE2 3.97Å; I103-F239 HydrophobicContact CG2-CZ 4.34Å; I103-L268 HydrophobicContact CD1-CD1 3.89Å
104	S	91.7	Very high	92.2	Very high	28 Å²	28	30.8 Å²	30.8	20%	0.196	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	105.9	177.9	-166.7	0	0	0	0	110.2	V106 N107 M108 D109	S104-V106 VanDerWaalsContact C-N 3.3Å; S104-N107 WeakPolarHBondContact OG-CB 3.44Å; S104-N107 PolarHBondContact OG-N 2.84Å; S104-N107 PolarHBondContact OG-ND2 3.2Å; S104-M108 WeakPolarHBondContact O-CA 3.33Å; S104-M108 PolarHBondContact O-N 3.2Å; S104-D109 WeakPolarHBondContact CB-OD1 3.41Å; S104-D109 PolarHBondContact N-O 2.98Å; S104-D109 PolarHBondContact O-N 3.42Å; S104-D109 VanDerWaalsContact O-N 3.16Å
105	E	90.1	Very high	92.2	Very high	22 Å²	22	33.8 Å²	33.8	10%	0.103	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-36.9	173.2	-62.9	172.1	-133.5	0	0	110.8	M192 F194 R270 P327	E105-M192 HydrophobicContact CG-SD 4.36Å; E105-F194 HydrophobicContact CB-CE1 4.18Å; E105-F194 HydrophobicContact CB-CZ 3.74Å; E105-F194 HydrophobicContact CG-CE1 4.03Å; E105-F194 HydrophobicContact CG-CZ 4.02Å; E105-R270 IonicContact OE1-CZ 3.04Å; E105-R270 IonicContact OE1-NH1 2.68Å; E105-R270 PolarHBondContact OE1-NH1 3.28Å; E105-R270 IonicContact OE1-NH2 3.82Å; E105-R270 PolarHBondContact OE1-NH2 2.7Å; E105-R270 IonicContact OE2-CZ 3.7Å; E105-R270 IonicContact OE2-NH1 3.21Å; E105-R270 PolarHBondContact OE2-NH1 3.46Å; E105-R270 IonicContact OE2-NH2 3.52Å; E105-R270 PolarHBondContact OE2-NH2 3.12Å; E105-P327 HydrophobicContact CB-CG 4.36Å; E105-P327 VanDerWaalsContact O-CG 3.25Å; E105-P327 WeakPolarHBondContact O-CG 3.19Å
106	V	88.9	Confident	92.2	Very high	91 Å²	91	33.9 Å²	33.9	55%	0.552	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-44.2	179.3	-177.9	0	0	0	0	111.5	S104	S104-V106 VanDerWaalsContact C-N 3.3Å
107	N	90.6	Very high	92.3	Very high	94 Å²	94	34.5 Å²	34.5	50%	0.503	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-3.6	-177	-61.5	-35.1	0	0	0	113.6	S104 D109 K156	S104-N107 WeakPolarHBondContact OG-CB 3.44Å; S104-N107 PolarHBondContact OG-N 2.84Å; S104-N107 PolarHBondContact OG-ND2 3.2Å; N107-D109 VanDerWaalsContact C-N 3.31Å; N107-D109 VanDerWaalsContact CB-OD2 3.28Å; N107-D109 WeakPolarHBondContact CB-OD2 3.24Å; N107-D109 PolarHBondContact O-N 3.23Å; N107-K156 PolarHBondContact O-NZ 3.29Å
108	M	91.8	Very high	92.4	Very high	48 Å²	48	34.8 Å²	34.8	24%	0.236	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	47.7	-175.1	-58.1	-74.3	-167.9	0	0	111.6	S104 C190 M192 F194 V329	S104-M108 WeakPolarHBondContact O-CA 3.33Å; S104-M108 PolarHBondContact O-N 3.2Å; M108-C190 CarbonylContact C-O 3.49Å; M108-C190 VanDerWaalsContact C-O 3.3Å; M108-C190 WeakPolarHBondContact CB-O 3.35Å; M108-C190 CarbonylContact O-C 3.59Å; M108-C190 PolarHBondContact O-N 3.47Å; M108-M192 HydrophobicContact SD-CB 3.97Å; M108-F194 HydrophobicContact CE-CD2 4.09Å; M108-F194 HydrophobicContact CE-CE2 3.49Å; M108-F194 VanDerWaalsContact CE-CE2 3.49Å; M108-F194 HydrophobicContact SD-CE2 3.71Å; M108-F194 HydrophobicContact SD-CZ 4.23Å; M108-V329 HydrophobicContact CE-CG1 4.02Å
109	D	94.4	Very high	92.6	Very high	14 Å²	14	33.8 Å²	33.8	8%	0.075	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	161.4	178	58.8	40.2	0	0	0	112.7	S104 N107 K156 T187 A188	S104-D109 WeakPolarHBondContact CB-OD1 3.41Å; S104-D109 PolarHBondContact N-O 2.98Å; S104-D109 PolarHBondContact O-N 3.42Å; S104-D109 VanDerWaalsContact O-N 3.16Å; N107-D109 VanDerWaalsContact C-N 3.31Å; N107-D109 VanDerWaalsContact CB-OD2 3.28Å; N107-D109 WeakPolarHBondContact CB-OD2 3.24Å; N107-D109 PolarHBondContact O-N 3.23Å; D109-K156 HydrophobicContact CB-CD 4.24Å; D109-K156 WeakPolarHBondContact OD2-CD 3.46Å; D109-K156 IonicContact OD2-NZ 3.95Å; D109-K156 PolarHBondContact OD2-NZ 3.09Å; D109-T187 HydrophobicContact CB-CG2 4.08Å; D109-A188 VanDerWaalsContact CA-O 3.3Å; D109-A188 WeakPolarHBondContact CA-O 3.11Å; D109-A188 VanDerWaalsContact CB-O 3.25Å; D109-A188 WeakPolarHBondContact CB-O 3.22Å
110	F	93.7	Very high	92.9	Very high	3 Å²	3	32.6 Å²	32.6	1%	0.013	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	146.9	169.6	67.7	-86.2	0	0	0	109.3	S102 I103 M112 T187 A188 C190 C204 L206	S102-F110 CarbonylContact O-C 3.55Å; S102-F110 WeakPolarHBondContact O-CA 3.43Å; I103-F110 HydrophobicContact CG1-CB 4.18Å; F110-M112 HydrophobicContact CD2-CE 3.65Å; F110-M112 HydrophobicContact CD2-CG 4.34Å; F110-M112 HydrophobicContact CE2-CE 3.15Å; F110-M112 HydrophobicContact CE2-CG 4.06Å; F110-M112 HydrophobicContact CE2-SD 4.03Å; F110-M112 HydrophobicContact CZ-CE 4.13Å; F110-T187 CarbonylContact O-C 3.54Å; F110-T187 VanDerWaalsContact O-CA 3.32Å; F110-T187 WeakPolarHBondContact O-CA 3.36Å; F110-A188 HydrophobicContact CE1-CB 3.92Å; F110-A188 HydrophobicContact CE2-CB 4.13Å; F110-A188 HydrophobicContact CZ-CB 3.65Å; F110-A188 PolarHBondContact N-O 3.28Å; F110-A188 PolarHBondContact O-N 3.3Å; F110-C190 HydrophobicContact CD1-CB 3.55Å; F110-C190 HydrophobicContact CE1-CB 3.83Å; F110-C204 HydrophobicContact CD1-CB 3.84Å; F110-C204 HydrophobicContact CE1-CB 3.71Å; F110-C204 HydrophobicContact CZ-CB 4.47Å; F110-L206 HydrophobicContact CZ-CB 4.31Å; F110-L206 HydrophobicContact CZ-CD1 4.5Å
111	T	94.4	Very high	93.1	Very high	17 Å²	17	36.5 Å²	36.5	10%	0.104	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	130.4	174.7	-56.7	0	0	0	0	109	I100 D101 S102 T185 V186 T187	I100-T111 CarbonylContact C-O 3.58Å; D101-T111 HydrophobicContact CB-CG2 4.24Å; D101-T111 PolarHBondContact N-O 3.37Å; S102-T111 PolarHBondContact N-O 2.91Å; S102-T111 PolarHBondContact O-N 3.26Å; S102-T111 PolarHBondContact OG-OG1 3.44Å; T111-T185 HydrophobicContact CG2-CG2 3.45Å; T111-T185 VanDerWaalsContact CG2-CG2 3.45Å; T111-V186 WeakPolarHBondContact CA-O 3.25Å; T111-T187 WeakPolarHBondContact OG1-CG2 3.32Å; T111-T187 PolarHBondContact OG1-OG1 3.16Å
112	M	92.9	Very high	93.3	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	151.8	175.6	61.9	169.9	58	0	0	111.4	S99 I100 F110 L114 T185 V186 L206 F266	S99-M112 CarbonylContact O-C 3.54Å; S99-M112 WeakPolarHBondContact O-CA 3.48Å; S99-M112 WeakPolarHBondContact O-CB 3.49Å; I100-M112 HydrophobicContact CG1-CB 4.33Å; F110-M112 HydrophobicContact CD2-CE 3.65Å; F110-M112 HydrophobicContact CD2-CG 4.34Å; F110-M112 HydrophobicContact CE2-CE 3.15Å; F110-M112 HydrophobicContact CE2-CG 4.06Å; F110-M112 HydrophobicContact CE2-SD 4.03Å; F110-M112 HydrophobicContact CZ-CE 4.13Å; M112-L114 HydrophobicContact CG-CD2 4.39Å; M112-L114 HydrophobicContact SD-CD2 3.85Å; M112-T185 CarbonylContact O-C 3.59Å; M112-T185 VanDerWaalsContact O-CA 3.31Å; M112-T185 WeakPolarHBondContact O-CA 3.43Å; M112-V186 PolarHBondContact N-O 2.89Å; M112-V186 PolarHBondContact O-N 3.29Å; M112-L206 HydrophobicContact SD-CD2 3.85Å; M112-F266 HydrophobicContact CE-CD2 3.92Å; M112-F266 HydrophobicContact CE-CE1 4.14Å; M112-F266 HydrophobicContact CE-CE2 3.23Å; M112-F266 HydrophobicContact CE-CZ 3.34Å; M112-F266 HydrophobicContact SD-CE2 4.22Å; M112-F266 HydrophobicContact SD-CZ 4.12Å
113	T	93.3	Very high	93.4	Very high	5 Å²	5	35.2 Å²	35.2	3%	0.031	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	130.1	172.2	-63	0	0	0	0	109.2	E98 S99 D101 H161 R183 I184 T185	E98-T113 HydrophobicContact CB-CG2 4.44Å; E98-T113 WeakPolarHBondContact CB-O 3.34Å; E98-T113 PolarHBondContact N-O 2.9Å; E98-T113 WeakPolarHBondContact OE2-CG2 3.33Å; S99-T113 PolarHBondContact N-O 3.22Å; S99-T113 VanDerWaalsContact N-O 3.16Å; S99-T113 PolarHBondContact O-N 2.94Å; D101-T113 PolarHBondContact OD2-OG1 3.41Å; T113-H161 WeakPolarHBondContact CG2-NE2 3.35Å; T113-R183 HydrophobicContact CG2-CG 4.23Å; T113-I184 WeakPolarHBondContact CA-O 3.45Å; T113-T185 PolarHBondContact OG1-OG1 2.86Å
114	L	94.5	Very high	93.3	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	157.8	-176	62.3	82.6	0	0	0	111.9	V95 Q96 M112 L116 R183 I184 L206	V95-L114 HydrophobicContact CG1-CB 4.24Å; V95-L114 HydrophobicContact CG1-CD1 4.32Å; V95-L114 HydrophobicContact CG1-CD2 4.16Å; V95-L114 HydrophobicContact CG1-CG 4.49Å; Q96-L114 CarbonylContact O-C 3.6Å; Q96-L114 WeakPolarHBondContact O-CA 3.38Å; M112-L114 HydrophobicContact CG-CD2 4.39Å; M112-L114 HydrophobicContact SD-CD2 3.85Å; L114-L116 HydrophobicContact CD1-CB 3.73Å; L114-R183 WeakPolarHBondContact O-CA 3.37Å; L114-I184 PolarHBondContact N-O 3Å; L114-I184 PolarHBondContact O-N 3.18Å; L114-L206 HydrophobicContact CD2-CD2 3.7Å
115	Y	94.7	Very high	93.1	Very high	71 Å²	71	35.3 Å²	35.3	28%	0.278	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	115.3	163.4	-61.1	-78.5	0	0	0	109.1	V95 Q96 E98 V182 R183	V95-Y115 WeakPolarHBondContact CA-O 3.48Å; Q96-Y115 HydrophobicContact CB-CD2 4.43Å; Q96-Y115 HydrophobicContact CG-CD2 4.42Å; Q96-Y115 PolarHBondContact N-O 3.08Å; Q96-Y115 PolarHBondContact O-N 2.94Å; E98-Y115 HydrophobicContact CB-CE2 4.26Å; E98-Y115 HydrophobicContact CG-CE2 4.38Å; Y115-V182 CarbonylContact C-O 3.56Å; Y115-V182 WeakPolarHBondContact CA-O 3.23Å; Y115-R183 HydrophobicContact CD1-CB 3.78Å; Y115-R183 HydrophobicContact CD1-CG 3.94Å; Y115-R183 HydrophobicContact CE1-CB 3.7Å; Y115-R183 HydrophobicContact CE1-CG 3.63Å
116	L	95.4	Very high	93.1	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	123.4	174	-178.9	62.3	0	0	0	108.9	I93 V95 L114 H118 V150 F152 S181 V182 I184 L208	I93-L116 HydrophobicContact CG2-CD1 3.77Å; V95-L116 HydrophobicContact CG2-CD1 3.64Å; L114-L116 HydrophobicContact CD1-CB 3.73Å; L116-H118 VanDerWaalsContact CD2-NE2 3.31Å; L116-H118 WeakPolarHBondContact CD2-NE2 3.19Å; L116-H118 VanDerWaalsContact CG-NE2 3.35Å; L116-H118 WeakPolarHBondContact CG-NE2 3.28Å; L116-V150 HydrophobicContact CD2-CG1 4.32Å; L116-F152 HydrophobicContact CD2-CZ 4.2Å; L116-S181 CarbonylContact O-C 3.57Å; L116-S181 WeakPolarHBondContact O-CA 3.45Å; L116-V182 HydrophobicContact CB-CG1 4.06Å; L116-V182 PolarHBondContact N-O 2.91Å; L116-V182 PolarHBondContact O-N 3.34Å; L116-I184 HydrophobicContact CB-CD1 4.38Å; L116-I184 HydrophobicContact CD2-CD1 4.12Å; L116-L208 HydrophobicContact CD1-CD2 3.71Å; L116-L208 HydrophobicContact CD2-CD2 4.24Å
117	R	95.9	Very high	93	Very high	50 Å²	50	32.7 Å²	32.7	19%	0.189	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	129.3	179.2	-68.8	166.3	-175.3	153.7	9	110.8	D94 Y119 L179 Y180 S181	D94-R117 HydrophobicContact CB-CB 4.06Å; D94-R117 PolarHBondContact N-O 3.5Å; D94-R117 WeakPolarHBondContact O-CB 3.28Å; D94-R117 PolarHBondContact O-N 3.19Å; D94-R117 VanDerWaalsContact OD2-CD 3.22Å; D94-R117 WeakPolarHBondContact OD2-CD 3.26Å; D94-R117 IonicContact OD2-CZ 3.77Å; D94-R117 IonicContact OD2-NH1 3.76Å; D94-R117 PolarHBondContact OD2-NH1 3.31Å; R117-Y119 HydrophobicContact CB-CE2 3.92Å; R117-L179 HydrophobicContact CB-CD1 4.06Å; R117-L179 HydrophobicContact CG-CD1 4.17Å; R117-Y180 CarbonylContact C-O 3.55Å; R117-Y180 WeakPolarHBondContact CA-O 3.49Å; R117-S181 VanDerWaalsContact CG-OG 3.28Å; R117-S181 WeakPolarHBondContact CG-OG 3.46Å
118	H	95.9	Very high	92.7	Very high	7 Å²	7	34.5 Å²	34.5	3%	0.032	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	137.5	174.7	-52.6	145.4	0	0	0	109.8	V91 I93 L116 W120 P148 Y180	V91-H118 HydrophobicContact CG1-CB 4.45Å; I93-H118 WeakPolarHBondContact CD1-CD2 3.42Å; L116-H118 VanDerWaalsContact CD2-NE2 3.31Å; L116-H118 WeakPolarHBondContact CD2-NE2 3.19Å; L116-H118 VanDerWaalsContact CG-NE2 3.35Å; L116-H118 WeakPolarHBondContact CG-NE2 3.28Å; H118-W120 HydrophobicContact CB-CE3 4.09Å; H118-W120 HydrophobicContact CB-CZ3 3.98Å; H118-P148 HydrophobicContact CB-CG 4.42Å; H118-Y180 HydrophobicContact CB-CD1 4.36Å; H118-Y180 PolarHBondContact N-O 2.93Å; H118-Y180 AromaticContact ND1-CD1 3.33Å; H118-Y180 VanDerWaalsContact ND1-CD1 3.33Å; H118-Y180 WeakPolarHBondContact ND1-CD1 3.44Å; H118-Y180 AromaticContact ND1-CE1 3.78Å; H118-Y180 PolarHBondContact O-N 3.18Å
119	Y	96.4	Very high	92.1	Very high	42 Å²	42	33.8 Å²	33.8	17%	0.165	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	118.3	174.1	-61.7	-92	0	0	0	109.5	V91 G92 D94 R117 I178 L179 K223	V91-Y119 WeakPolarHBondContact CA-O 3.34Å; G92-Y119 PolarHBondContact N-O 3.18Å; G92-Y119 PolarHBondContact O-N 3.32Å; D94-Y119 HydrophobicContact CB-CE2 3.77Å; R117-Y119 HydrophobicContact CB-CE2 3.92Å; Y119-I178 WeakPolarHBondContact CA-O 3.33Å; Y119-L179 HydrophobicContact CD1-CB 4.11Å; Y119-L179 HydrophobicContact CD1-CD1 4Å; Y119-L179 HydrophobicContact CE1-CB 3.88Å; Y119-L179 HydrophobicContact CE1-CD1 3.38Å; Y119-L179 HydrophobicContact CE1-CD2 4.01Å; Y119-L179 HydrophobicContact CE1-CG 3.93Å; Y119-L179 HydrophobicContact CE2-CD1 4.01Å; Y119-K223 HydrophobicContact CD1-CD 4.21Å; Y119-K223 HydrophobicContact CD2-CD 3.36Å; Y119-K223 HydrophobicContact CE1-CD 4.37Å; Y119-K223 HydrophobicContact CE2-CD 3.57Å; Y119-K223 HydrophobicContact CG-CD 3.68Å; Y119-K223 VanDerWaalsContact CZ-NZ 3.34Å
120	W	95.8	Very high	91.3	Very high	6 Å²	6	39.9 Å²	39.9	2%	0.023	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	167.9	173.2	75.9	101.7	0	0	0	109.6	V91 H118 W146 V147 P148 I178 Y180	V91-W120 HydrophobicContact CG2-CB 4.27Å; H118-W120 HydrophobicContact CB-CE3 4.09Å; H118-W120 HydrophobicContact CB-CZ3 3.98Å; W120-W146 AromaticContact NE1-CE3 3.99Å; W120-V147 HydrophobicContact CH2-CG1 4.32Å; W120-V147 HydrophobicContact CH2-CG2 4.48Å; W120-P148 HydrophobicContact CD2-CG 4.31Å; W120-P148 HydrophobicContact CE3-CG 4.08Å; W120-P148 HydrophobicContact CZ3-CG 4.37Å; W120-I178 HydrophobicContact CD2-CB 4.08Å; W120-I178 HydrophobicContact CD2-CG2 4.41Å; W120-I178 HydrophobicContact CE3-CB 4.22Å; W120-I178 HydrophobicContact CE3-CG2 4.24Å; W120-I178 HydrophobicContact CH2-CB 4.13Å; W120-I178 HydrophobicContact CH2-CG2 3.4Å; W120-I178 HydrophobicContact CZ2-CB 3.97Å; W120-I178 HydrophobicContact CZ2-CD1 3.79Å; W120-I178 HydrophobicContact CZ2-CG1 4.48Å; W120-I178 HydrophobicContact CZ2-CG2 3.57Å; W120-I178 HydrophobicContact CZ3-CB 4.23Å; W120-I178 HydrophobicContact CZ3-CG2 3.75Å; W120-I178 PolarHBondContact N-O 2.91Å; W120-I178 PolarHBondContact O-N 3.34Å; W120-Y180 HydrophobicContact CH2-CG 4.44Å; W120-Y180 VanDerWaalsContact CZ3-CB 3.44Å; W120-Y180 HydrophobicContact CZ3-CG 4.4Å
121	Q	94.4	Very high	90.5	Very high	100 Å²	100	42.8 Å²	42.8	47%	0.467	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	132.9	177.2	-170.9	177.8	-14.5	0	0	109.8	D123 G176	Q121-D123 PolarHBondContact NE2-OD1 3.02Å; Q121-G176 WeakPolarHBondContact CA-O 3.09Å
122	D	93.4	Very high	89.7	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.005	28%	0.276	C	S	.	.			trans	-135.3	105.5	171	-169.2	-20.8	0	0	0	109.6	P82 R124 L125 G176 I178	P82-D122 HydrophobicContact CB-CB 4.34Å; P82-D122 HydrophobicContact CG-CB 4.3Å; D122-R124 PolarHBondContact O-N 3.47Å; D122-R124 VanDerWaalsContact O-N 3.17Å; D122-R124 VanDerWaalsContact OD1-CB 3.27Å; D122-R124 WeakPolarHBondContact OD1-CB 3.44Å; D122-R124 WeakPolarHBondContact OD1-CG 3.46Å; D122-R124 IonicContact OD1-CZ 3.28Å; D122-R124 PolarHBondContact OD1-N 3.48Å; D122-R124 VanDerWaalsContact OD1-N 3.08Å; D122-R124 IonicContact OD1-NE 2.83Å; D122-R124 PolarHBondContact OD1-NE 2.83Å; D122-R124 IonicContact OD1-NH2 3.8Å; D122-R124 IonicContact OD2-CZ 2.86Å; D122-R124 IonicContact OD2-NE 3.22Å; D122-R124 PolarHBondContact OD2-NE 3.42Å; D122-R124 IonicContact OD2-NH2 2.69Å; D122-R124 PolarHBondContact OD2-NH2 3.42Å; D122-L125 HydrophobicContact CB-CD1 4.33Å; D122-L125 PolarHBondContact O-N 3.43Å; D122-L125 VanDerWaalsContact O-N 3.1Å; D122-G176 PolarHBondContact N-O 3.2Å; D122-G176 WeakPolarHBondContact O-CA 3.29Å; D122-I178 HydrophobicContact CB-CD1 3.79Å
123	D	90.4	Very high	89.2	Confident	114 Å²	114	57.2 Å²	57.2	61%	0.61	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-63.5	-22.3	-176.5	-61.9	-29	0	0	0	112.7	Q121 L125 A126	Q121-D123 PolarHBondContact NE2-OD1 3.02Å; D123-L125 PolarHBondContact O-N 3.45Å; D123-A126 VanDerWaalsContact O-CB 3.29Å; D123-A126 WeakPolarHBondContact O-CB 3.33Å; D123-A126 PolarHBondContact O-N 3.32Å
124	R	90.3	Very high	89	Confident	52 Å²	52	58.7 Å²	58.7	20%	0.196	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-67.5	-22.2	177.8	-56.3	173.3	-66.7	-175.1	0.3	112.5	D77 F78 M80 D122	D77-R124 PolarHBondContact O-NH1 2.93Å; F78-R124 HydrophobicContact CE1-CB 4.12Å; F78-R124 HydrophobicContact CZ-CB 4.21Å; M80-R124 PolarHBondContact O-NH2 3.28Å; D122-R124 PolarHBondContact O-N 3.47Å; D122-R124 VanDerWaalsContact O-N 3.17Å; D122-R124 VanDerWaalsContact OD1-CB 3.27Å; D122-R124 WeakPolarHBondContact OD1-CB 3.44Å; D122-R124 WeakPolarHBondContact OD1-CG 3.46Å; D122-R124 IonicContact OD1-CZ 3.28Å; D122-R124 PolarHBondContact OD1-N 3.48Å; D122-R124 VanDerWaalsContact OD1-N 3.08Å; D122-R124 IonicContact OD1-NE 2.83Å; D122-R124 PolarHBondContact OD1-NE 2.83Å; D122-R124 IonicContact OD1-NH2 3.8Å; D122-R124 IonicContact OD2-CZ 2.86Å; D122-R124 IonicContact OD2-NE 3.22Å; D122-R124 PolarHBondContact OD2-NE 3.42Å; D122-R124 IonicContact OD2-NH2 2.69Å; D122-R124 PolarHBondContact OD2-NH2 3.42Å
125	L	88.8	Confident	88.6	Confident	1 Å²	1	64.8 Å²	64.8	1%	0.005	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-99.7	4	179.8	-65.2	171.5	0	0	0	112.4	L71 F78 D122 D123 I145 V172 I178	L71-L125 HydrophobicContact CB-CD2 4.42Å; L71-L125 HydrophobicContact CD1-CD2 4.41Å; L71-L125 HydrophobicContact CD2-CB 4.37Å; L71-L125 HydrophobicContact CD2-CD2 4.33Å; L71-L125 WeakPolarHBondContact CD2-O 3.36Å; F78-L125 HydrophobicContact CE1-CD1 4.12Å; F78-L125 HydrophobicContact CE1-CD2 3.77Å; F78-L125 HydrophobicContact CE1-CG 3.81Å; F78-L125 HydrophobicContact CZ-CD2 3.69Å; F78-L125 HydrophobicContact CZ-CG 4.18Å; D122-L125 HydrophobicContact CB-CD1 4.33Å; D122-L125 PolarHBondContact O-N 3.43Å; D122-L125 VanDerWaalsContact O-N 3.1Å; D123-L125 PolarHBondContact O-N 3.45Å; L125-I145 HydrophobicContact CD1-CB 4.3Å; L125-I145 HydrophobicContact CD1-CD1 4.24Å; L125-I145 HydrophobicContact CD1-CG2 4.05Å; L125-I145 HydrophobicContact CD2-CG2 4.08Å; L125-V172 HydrophobicContact CB-CG1 4.22Å; L125-I178 HydrophobicContact CB-CD1 4.43Å; L125-I178 HydrophobicContact CD1-CD1 3.48Å; L125-I178 VanDerWaalsContact CD1-CD1 3.48Å
126	A	88.8	Confident	88.3	Confident	47 Å²	47	65.4 Å²	65.4	39%	0.388	35%	0.348	S	S	.	.			trans	-65.4	141.7	173.1	0	0	0	0	0	110.9	D123	D123-A126 VanDerWaalsContact O-CB 3.29Å; D123-A126 WeakPolarHBondContact O-CB 3.33Å; D123-A126 PolarHBondContact O-N 3.32Å
127	F	87.2	Confident	87.9	Confident	10 Å²	10	67.6 Å²	67.6	4%	0.044	36%	0.358	C	S	.	.			trans	-139.1	143.9	180	61.9	-88.9	0	0	0	110.9	L70 L71 S129 R135 V172 P174	L70-F127 HydrophobicContact CD2-CD2 4.48Å; L71-F127 HydrophobicContact CD2-CD1 3.95Å; F127-S129 PolarHBondContact O-N 2.99Å; F127-R135 HydrophobicContact CE2-CG 4.04Å; F127-R135 HydrophobicContact CZ-CB 4.32Å; F127-R135 HydrophobicContact CZ-CG 3.74Å; F127-V172 HydrophobicContact CD1-CG1 4.43Å; F127-V172 HydrophobicContact CE1-CB 4.28Å; F127-V172 HydrophobicContact CE1-CG1 4.05Å; F127-P174 HydrophobicContact CE2-CB 4.47Å; F127-P174 HydrophobicContact CE2-CG 4.14Å; F127-P174 HydrophobicContact CZ-CG 4.06Å; F127-P174 PolarHBondContact N-O 3.01Å
128	P	83.2	Confident	87.3	Confident	132 Å²	132	69.2 Å²	69.2	86%	0.857	37%	0.371	S	S	*	.			trans	-65	125.5	178.7	26.3	-32.7	0	0	0	110.3
129	S	80.1	Confident	86.8	Confident	34 Å²	34	69.3 Å²	69.3	24%	0.238	37%	0.373	C	S	.	.			trans	-139.3	116.7	-179.7	-174.5	0	0	0	0	111	F127 S131 P174	F127-S129 PolarHBondContact O-N 2.99Å; S129-S131 PolarHBondContact O-N 3.45Å; S129-P174 VanDerWaalsContact CB-CG 3.47Å
130	S	76.8	Confident	86.2	Confident	141 Å²	141	76.8 Å²	76.8	99%	0.986	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-15.5	179.9	-44.9	0	0	0	0	113.7
131	S	77.6	Confident	85.7	Confident	65 Å²	65	77.5 Å²	77.5	46%	0.455	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.3	10.7	-172.6	61.8	0	0	0	0	114.8	S129 K133	S129-S131 PolarHBondContact O-N 3.45Å; S131-K133 WeakPolarHBondContact O-CG 3.36Å; S131-K133 PolarHBondContact O-N 2.9Å; S131-K133 WeakPolarHBondContact OG-CG 3.33Å
132	K	77.1	Confident	85.4	Confident	186 Å²	186	73.6 Å²	73.6	81%	0.809	39%	0.388	S	S	*	.			trans	50.1	17.6	-174.9	-65.5	-170.6	178.5	-175	0	114.8
133	K	83.9	Confident	85	Confident	135 Å²	135	80.9 Å²	80.9	59%	0.587	42%	0.419	S	S	*	.			trans	-79	132.2	-178.2	-70.1	-176.7	-177.5	-177.7	0	110.5	S131	S131-K133 WeakPolarHBondContact O-CG 3.36Å; S131-K133 PolarHBondContact O-N 2.9Å; S131-K133 WeakPolarHBondContact OG-CG 3.33Å
134	S	87.4	Confident	84.9	Confident	36 Å²	36	82 Å²	82	25%	0.252	42%	0.418	S	S	.	.			trans	-68.9	153	169.6	60.6	0	0	0	0	111.5	R171 V172	S134-R171 WeakPolarHBondContact OG-CD 3.34Å; S134-V172 WeakPolarHBondContact CA-O 3.35Å
135	R	87.7	Confident	84.9	Confident	128 Å²	128	80.1 Å²	80.1	48%	0.483	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	134.6	173.3	-61	-61.2	-173.2	169	2.9	109.6	L70 F127 F137 R171 V172	L70-R135 HydrophobicContact CD2-CG 4.41Å; F127-R135 HydrophobicContact CE2-CG 4.04Å; F127-R135 HydrophobicContact CZ-CB 4.32Å; F127-R135 HydrophobicContact CZ-CG 3.74Å; R135-F137 HydrophobicContact CB-CD2 4.48Å; R135-F137 HydrophobicContact CB-CE2 3.66Å; R135-F137 HydrophobicContact CB-CZ 3.8Å; R135-F137 WeakPolarHBondContact O-CD2 3.37Å; R135-F137 WeakPolarHBondContact O-CE2 3.47Å; R135-R171 CarbonylContact O-C 3.55Å; R135-R171 VanDerWaalsContact O-CA 3.31Å; R135-R171 WeakPolarHBondContact O-CA 3.39Å; R135-V172 PolarHBondContact N-O 3.5Å; R135-V172 PolarHBondContact O-N 3.17Å
136	T	88.7	Confident	85.1	Confident	84 Å²	84	80.6 Å²	80.6	52%	0.515	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	133.6	173.3	-50.8	0	0	0	0	108.5	M169 L170 R171	T136-M169 HydrophobicContact CG2-CG 4.05Å; T136-L170 CarbonylContact C-O 3.56Å; T136-L170 WeakPolarHBondContact CA-O 3.22Å; T136-R171 PolarHBondContact OG1-NE 3.01Å
137	F	86.4	Confident	85.3	Confident	48 Å²	48	80.2 Å²	80.2	21%	0.211	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	157.6	-179.1	-64.3	-86.9	0	0	0	111.1	L70 L71 R135 L141 L170 V172	L70-F137 HydrophobicContact CD2-CE1 4.3Å; L70-F137 HydrophobicContact CD2-CZ 3.91Å; L71-F137 HydrophobicContact CD1-CD1 4.29Å; L71-F137 HydrophobicContact CD1-CE1 3.69Å; L71-F137 HydrophobicContact CD1-CE2 3.96Å; L71-F137 HydrophobicContact CD1-CZ 3.5Å; L71-F137 HydrophobicContact CG-CE1 4.38Å; L71-F137 HydrophobicContact CG-CZ 4.06Å; R135-F137 HydrophobicContact CB-CD2 4.48Å; R135-F137 HydrophobicContact CB-CE2 3.66Å; R135-F137 HydrophobicContact CB-CZ 3.8Å; R135-F137 WeakPolarHBondContact O-CD2 3.37Å; R135-F137 WeakPolarHBondContact O-CE2 3.47Å; F137-L141 HydrophobicContact CB-CB 4.33Å; F137-L141 HydrophobicContact CB-CD2 3.59Å; F137-L141 HydrophobicContact CD1-CD2 3.57Å; F137-L141 HydrophobicContact CD2-CD2 4.09Å; F137-L141 HydrophobicContact CE1-CD2 4.25Å; F137-L141 HydrophobicContact CG-CD2 3.47Å; F137-L141 VanDerWaalsContact CG-CD2 3.47Å; F137-L170 HydrophobicContact CB-CD2 4.27Å; F137-L170 PolarHBondContact N-O 3.14Å; F137-V172 HydrophobicContact CD2-CB 4.35Å; F137-V172 HydrophobicContact CD2-CG2 3.83Å; F137-V172 HydrophobicContact CE2-CB 3.83Å; F137-V172 HydrophobicContact CE2-CG2 3.74Å
138	D	83.6	Confident	85.7	Confident	85 Å²	85	79.9 Å²	79.9	46%	0.455	41%	0.406	S	S	.	.			trans	-73.3	155.8	176.3	-176.4	33.2	0	0	0	111.9	R140 L141	D138-R140 PolarHBondContact O-N 3.02Å; D138-R140 VanDerWaalsContact O-N 3.1Å; D138-R140 VanDerWaalsContact OD2-CD 3.29Å; D138-R140 WeakPolarHBondContact OD2-CD 3.46Å; D138-R140 VanDerWaalsContact OD2-CG 3.29Å; D138-R140 WeakPolarHBondContact OD2-CG 3.24Å; D138-R140 IonicContact OD2-NE 3.21Å; D138-L141 WeakPolarHBondContact O-CB 3.37Å; D138-L141 PolarHBondContact O-N 3.49Å
139	A	83.9	Confident	86.1	Confident	9 Å²	9	75.6 Å²	75.6	7%	0.074	38%	0.375	C	S	.	.	H	α-helix	trans	-59.1	-24.4	-178.9	0	0	0	0	0	113.1	L141 V142 E166 I168	A139-L141 PolarHBondContact O-N 2.94Å; A139-V142 VanDerWaalsContact O-CB 3.27Å; A139-V142 WeakPolarHBondContact O-CB 3.35Å; A139-V142 PolarHBondContact O-N 3.03Å; A139-E166 HydrophobicContact CB-CB 4.29Å; A139-I168 HydrophobicContact CB-CB 4.22Å
140	R	84.6	Confident	86.7	Confident	198 Å²	198	75.1 Å²	75.1	75%	0.747	37%	0.371	S	S	*	.	H	α-helix	trans	-58.9	-29.4	174.7	-64.8	176.3	-171.6	-167.5	0.9	113.4	D138	D138-R140 PolarHBondContact O-N 3.02Å; D138-R140 VanDerWaalsContact O-N 3.1Å; D138-R140 VanDerWaalsContact OD2-CD 3.29Å; D138-R140 WeakPolarHBondContact OD2-CD 3.46Å; D138-R140 VanDerWaalsContact OD2-CG 3.29Å; D138-R140 WeakPolarHBondContact OD2-CG 3.24Å; D138-R140 IonicContact OD2-NE 3.21Å
141	L	85.5	Confident	87.5	Confident	22 Å²	22	71.1 Å²	71.1	12%	0.115	34%	0.336	C	S	.	.	H	α-helix	trans	-72.6	-33	177.9	-179.4	59.5	0	0	0	111.8	L71 I73 F137 D138 A139 K143 K144 I145 L170	L71-L141 HydrophobicContact CD1-CD2 3.64Å; I73-L141 HydrophobicContact CD1-CD1 3.29Å; I73-L141 HydrophobicContact CG1-CD1 4.22Å; F137-L141 HydrophobicContact CB-CB 4.33Å; F137-L141 HydrophobicContact CB-CD2 3.59Å; F137-L141 HydrophobicContact CD1-CD2 3.57Å; F137-L141 HydrophobicContact CD2-CD2 4.09Å; F137-L141 HydrophobicContact CE1-CD2 4.25Å; F137-L141 HydrophobicContact CG-CD2 3.47Å; F137-L141 VanDerWaalsContact CG-CD2 3.47Å; D138-L141 WeakPolarHBondContact O-CB 3.37Å; D138-L141 PolarHBondContact O-N 3.49Å; A139-L141 PolarHBondContact O-N 2.94Å; L141-K143 PolarHBondContact O-N 3.42Å; L141-K144 PolarHBondContact O-N 3.49Å; L141-I145 HydrophobicContact CD1-CG2 4.21Å; L141-I145 HydrophobicContact CG-CG2 4.42Å; L141-I145 PolarHBondContact O-N 3.19Å; L141-L170 HydrophobicContact CB-CD2 4.3Å; L141-L170 HydrophobicContact CD2-CD2 3.91Å; L141-L170 HydrophobicContact CG-CD2 4.02Å
142	V	87	Confident	88.3	Confident	18 Å²	18	68.4 Å²	68.4	11%	0.109	32%	0.316	C	S	.	.	H	α-helix	trans	-57	-35.7	179.5	177	0	0	0	0	111.1	A139 K144 I145 V147 I168 L170 Y180	A139-V142 VanDerWaalsContact O-CB 3.27Å; A139-V142 WeakPolarHBondContact O-CB 3.35Å; A139-V142 PolarHBondContact O-N 3.03Å; V142-K144 PolarHBondContact O-N 3.17Å; V142-I145 PolarHBondContact O-N 2.69Å; V142-V147 HydrophobicContact CG1-CG2 3.93Å; V142-I168 HydrophobicContact CG2-CG2 3.94Å; V142-L170 HydrophobicContact CG2-CB 3.93Å; V142-L170 HydrophobicContact CG2-CD2 3.95Å; V142-L170 HydrophobicContact CG2-CG 4.4Å; V142-Y180 HydrophobicContact CG1-CD2 4.42Å; V142-Y180 HydrophobicContact CG1-CE2 3.68Å; V142-Y180 HydrophobicContact CG2-CD2 4.4Å; V142-Y180 HydrophobicContact CG2-CE2 4.12Å
143	K	85.9	Confident	88.9	Confident	154 Å²	154	60.9 Å²	60.9	67%	0.67	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-9.7	178.6	-62.1	-178.5	-177	174.4	0	114.1	L141 E166	L141-K143 PolarHBondContact O-N 3.42Å; K143-E166 IonicContact NZ-OE1 3.97Å; K143-E166 PolarHBondContact NZ-OE1 3.08Å; K143-E166 IonicContact NZ-OE2 3.54Å
144	K	88.1	Confident	89.1	Confident	136 Å²	136	59 Å²	59	59%	0.591	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	-7.9	-178.3	-62.4	-173.3	176.6	-170.8	0	113.7	I73 F78 L141 V142	I73-K144 HydrophobicContact CG2-CB 4.22Å; F78-K144 WeakPolarHBondContact CB-O 3.45Å; L141-K144 PolarHBondContact O-N 3.49Å; V142-K144 PolarHBondContact O-N 3.17Å
145	I	91.4	Very high	89.3	Confident	14 Å²	14	59.3 Å²	59.3	7%	0.072	28%	0.281	C	S	.	.	S	Bend	trans	-114.7	162.2	-178.2	64	166.8	0	0	0	110.2	F78 L125 L141 V142 V147 L170	F78-I145 HydrophobicContact CD1-CB 4.19Å; F78-I145 HydrophobicContact CD1-CG2 4.3Å; F78-I145 HydrophobicContact CE1-CG2 4.43Å; F78-I145 HydrophobicContact CG-CB 4.48Å; L125-I145 HydrophobicContact CD1-CB 4.3Å; L125-I145 HydrophobicContact CD1-CD1 4.24Å; L125-I145 HydrophobicContact CD1-CG2 4.05Å; L125-I145 HydrophobicContact CD2-CG2 4.08Å; L141-I145 HydrophobicContact CD1-CG2 4.21Å; L141-I145 HydrophobicContact CG-CG2 4.42Å; L141-I145 PolarHBondContact O-N 3.19Å; V142-I145 PolarHBondContact O-N 2.69Å; I145-V147 HydrophobicContact CD1-CG2 4.36Å; I145-V147 HydrophobicContact CG1-CG2 4.08Å; I145-L170 HydrophobicContact CD1-CD1 4.04Å; I145-L170 HydrophobicContact CD1-CD2 3.64Å
146	W	92.9	Very high	89.4	Confident	11 Å²	11	58.3 Å²	58.3	4%	0.042	28%	0.28	C	S	.	.			trans	-73.5	131.8	170.7	-175.2	84.8	0	0	0	109.3	F78 M80 R81 P82 I89 W120 P148 Y213 L218	F78-W146 VanDerWaalsContact O-CB 3.29Å; F78-W146 WeakPolarHBondContact O-CB 3.44Å; F78-W146 PolarHBondContact O-N 3.19Å; M80-W146 VanDerWaalsContact C-CD1 3.48Å; R81-W146 HydrophobicContact CB-CD2 4.29Å; R81-W146 HydrophobicContact CB-CH2 4.16Å; R81-W146 HydrophobicContact CB-CZ2 3.49Å; R81-W146 VanDerWaalsContact CB-CZ2 3.49Å; P82-W146 HydrophobicContact CG-CE3 4.13Å; P82-W146 HydrophobicContact CG-CZ3 4.2Å; I89-W146 HydrophobicContact CD1-CH2 3.97Å; I89-W146 HydrophobicContact CD1-CZ2 4.5Å; I89-W146 HydrophobicContact CD1-CZ3 4.35Å; W120-W146 AromaticContact NE1-CE3 3.99Å; W146-P148 HydrophobicContact CH2-CB 3.84Å; W146-P148 HydrophobicContact CZ2-CB 4.47Å; W146-P148 HydrophobicContact CZ3-CB 4.18Å; W146-P148 HydrophobicContact CZ3-CG 4.42Å; W146-Y213 AromaticContact CZ2-CE2 3.88Å; W146-Y213 HydrophobicContact CZ2-CE2 3.88Å; W146-Y213 AromaticContact NE1-CZ 3.85Å; W146-Y213 PolarHBondContact NE1-OH 3.3Å; W146-L218 HydrophobicContact CH2-CD1 4.37Å
147	V	93.3	Very high	89.4	Confident	38 Å²	38	62.8 Å²	62.8	23%	0.23	29%	0.287	C	S	.	.			trans	-128.8	132.4	174.7	-178.7	0	0	0	0	107.5	W120 V142 I145 D149 Y180	W120-V147 HydrophobicContact CH2-CG1 4.32Å; W120-V147 HydrophobicContact CH2-CG2 4.48Å; V142-V147 HydrophobicContact CG1-CG2 3.93Å; I145-V147 HydrophobicContact CD1-CG2 4.36Å; I145-V147 HydrophobicContact CG1-CG2 4.08Å; V147-D149 PolarHBondContact O-N 2.91Å; V147-Y180 HydrophobicContact CG1-CD1 4.49Å; V147-Y180 HydrophobicContact CG1-CE1 4.44Å; V147-Y180 HydrophobicContact CG1-CE2 4.47Å
148	P	94.2	Very high	89.7	Confident	4 Å²	4	63.3 Å²	63.3	3%	0.026	30%	0.297	C	S	.	.			trans	-60.1	134.1	177.1	25	-33.9	0	0	0	110.3	V91 H118 W120 W146 V150 L218	V91-P148 HydrophobicContact CG1-CB 4.19Å; V91-P148 HydrophobicContact CG1-CG 3.92Å; V91-P148 HydrophobicContact CG2-CB 3.99Å; V91-P148 HydrophobicContact CG2-CG 4.26Å; H118-P148 HydrophobicContact CB-CG 4.42Å; W120-P148 HydrophobicContact CD2-CG 4.31Å; W120-P148 HydrophobicContact CE3-CG 4.08Å; W120-P148 HydrophobicContact CZ3-CG 4.37Å; W146-P148 HydrophobicContact CH2-CB 3.84Å; W146-P148 HydrophobicContact CZ2-CB 4.47Å; W146-P148 HydrophobicContact CZ3-CB 4.18Å; W146-P148 HydrophobicContact CZ3-CG 4.42Å; P148-V150 PolarHBondContact O-N 3.21Å; P148-L218 HydrophobicContact CB-CD1 3.87Å
149	D	91.2	Very high	90	Very high	41 Å²	41	63.7 Å²	63.7	22%	0.219	30%	0.295	C	S	.	.			trans	-79.6	118.4	175.6	65.7	-34.9	0	0	0	109.3	V147 S210 Y211 A212 Y213	V147-D149 PolarHBondContact O-N 2.91Å; D149-S210 VanDerWaalsContact CG-OG 3.24Å; D149-S210 VanDerWaalsContact O-CA 3.29Å; D149-S210 WeakPolarHBondContact O-CA 3.23Å; D149-S210 WeakPolarHBondContact O-CB 3.29Å; D149-S210 PolarHBondContact OD1-OG 3.46Å; D149-S210 PolarHBondContact OD2-OG 2.83Å; D149-Y211 WeakPolarHBondContact OD2-CA 3.42Å; D149-Y211 WeakPolarHBondContact OD2-CB 3.23Å; D149-Y211 PolarHBondContact OD2-N 3.13Å; D149-A212 PolarHBondContact OD2-N 3.08Å; D149-Y213 WeakPolarHBondContact OD1-CD2 3.26Å; D149-Y213 WeakPolarHBondContact OD1-CE2 3.17Å
150	V	93.4	Very high	90.3	Very high	25 Å²	25	67 Å²	67	15%	0.152	31%	0.311	C	S	.	.			trans	-124.3	120.7	172.4	-178.4	0	0	0	0	106.7	I93 L116 P148 L208 E209 L220	I93-V150 HydrophobicContact CD1-CG2 4.21Å; L116-V150 HydrophobicContact CD2-CG1 4.32Å; P148-V150 PolarHBondContact O-N 3.21Å; V150-L208 HydrophobicContact CG1-CB 4Å; V150-L208 HydrophobicContact CG1-CD2 3.9Å; V150-E209 CarbonylContact C-O 3.55Å; V150-E209 WeakPolarHBondContact CA-O 3.43Å; V150-L220 HydrophobicContact CG2-CD2 4.01Å
151	F	93.3	Very high	90.3	Very high	56 Å²	56	59 Å²	59	25%	0.246	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	160.9	-179.6	85.5	-75	0	0	0	111.1	V153 L208 E209 S210 Y211	F151-V153 HydrophobicContact CE2-CB 4.38Å; F151-V153 HydrophobicContact CE2-CG2 4.13Å; F151-V153 HydrophobicContact CZ-CG2 3.92Å; F151-L208 WeakPolarHBondContact O-CA 3.41Å; F151-E209 HydrophobicContact CD1-CB 4.35Å; F151-E209 WeakPolarHBondContact CD1-O 3.46Å; F151-E209 HydrophobicContact CE1-CB 3.72Å; F151-E209 HydrophobicContact CE1-CG 4.04Å; F151-E209 HydrophobicContact CZ-CB 4.27Å; F151-E209 PolarHBondContact N-O 3.49Å; F151-E209 PolarHBondContact O-N 3.45Å; F151-S210 VanDerWaalsContact CE1-C 3.46Å; F151-S210 WeakPolarHBondContact CE1-O 3.49Å; F151-Y211 HydrophobicContact CD1-CD2 4.34Å; F151-Y211 HydrophobicContact CD2-CD2 4.39Å; F151-Y211 HydrophobicContact CE1-CD2 4.25Å; F151-Y211 HydrophobicContact CE2-CD2 4.27Å; F151-Y211 HydrophobicContact CG-CD2 4.43Å; F151-Y211 HydrophobicContact CZ-CD2 4.21Å
152	F	95.2	Very high	90.2	Very high	9 Å²	9	63.4 Å²	63.4	4%	0.039	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	109	-179.5	-59.2	-79.7	0	0	0	110	L116 H154 S155 I184 V186 L206 E207 L208	L116-F152 HydrophobicContact CD2-CZ 4.2Å; F152-H154 PolarHBondContact O-N 3.29Å; F152-S155 WeakPolarHBondContact O-CB 3.4Å; F152-S155 PolarHBondContact O-N 2.84Å; F152-S155 PolarHBondContact O-OG 2.59Å; F152-I184 HydrophobicContact CE2-CD1 4.08Å; F152-I184 HydrophobicContact CE2-CG2 4.14Å; F152-I184 HydrophobicContact CZ-CD1 4.33Å; F152-V186 HydrophobicContact CB-CG1 4.2Å; F152-V186 HydrophobicContact CD1-CG1 4.3Å; F152-V186 HydrophobicContact CD1-CG2 4.24Å; F152-V186 HydrophobicContact CD2-CG1 4.18Å; F152-V186 HydrophobicContact CD2-CG2 3.66Å; F152-V186 HydrophobicContact CE1-CG2 4Å; F152-V186 HydrophobicContact CE2-CG2 3.4Å; F152-V186 VanDerWaalsContact CE2-CG2 3.4Å; F152-V186 HydrophobicContact CG-CG1 3.97Å; F152-V186 HydrophobicContact CG-CG2 4.08Å; F152-V186 HydrophobicContact CZ-CG2 3.58Å; F152-L206 HydrophobicContact CD1-CD1 3.82Å; F152-L206 HydrophobicContact CD1-CD2 4.03Å; F152-L206 HydrophobicContact CD1-CG 3.97Å; F152-L206 HydrophobicContact CE1-CD1 4.4Å; F152-L206 HydrophobicContact CE1-CD2 3.8Å; F152-L206 HydrophobicContact CE1-CG 4.24Å; F152-E207 WeakPolarHBondContact CA-O 3.5Å; F152-L208 HydrophobicContact CD1-CD2 4.38Å; F152-L208 HydrophobicContact CD1-CG 4.08Å; F152-L208 HydrophobicContact CE1-CD2 3.74Å; F152-L208 HydrophobicContact CE1-CG 3.92Å; F152-L208 HydrophobicContact CZ-CD2 4.38Å
153	V	90.1	Very high	89.7	Confident	28 Å²	28	68.4 Å²	68.4	17%	0.17	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-50.9	-168.2	-178.4	0	0	0	0	112.8	F151 E207 E209	F151-V153 HydrophobicContact CE2-CB 4.38Å; F151-V153 HydrophobicContact CE2-CG2 4.13Å; F151-V153 HydrophobicContact CZ-CG2 3.92Å; V153-E207 HydrophobicContact CB-CB 4.14Å; V153-E207 HydrophobicContact CG2-CB 4.26Å; V153-E207 PolarHBondContact N-O 3.44Å; V153-E209 HydrophobicContact CG2-CB 3.61Å
154	H	87.8	Confident	89.3	Confident	96 Å²	96	67.3 Å²	67.3	44%	0.444	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	33.1	-178.1	-61.5	130.9	0	0	0	112.6	F152 L189 E207	F152-H154 PolarHBondContact O-N 3.29Å; H154-L189 HydrophobicContact CB-CB 4.47Å; H154-L189 PolarHBondContact O-N 2.65Å; H154-E207 IonicContact CE1-OE1 2.7Å; H154-E207 PolarHBondContact CE1-OE1 3.04Å; H154-E207 IonicContact CE1-OE2 3.01Å; H154-E207 VanDerWaalsContact ND1-CD 3.35Å; H154-E207 IonicContact ND1-OE1 3.06Å; H154-E207 PolarHBondContact ND1-OE1 3.25Å; H154-E207 IonicContact ND1-OE2 2.8Å
155	S	91.1	Very high	88.8	Confident	41 Å²	41	67.2 Å²	67.2	29%	0.287	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	130.9	174.8	63.4	0	0	0	0	111.7	F152 T187	F152-S155 WeakPolarHBondContact O-CB 3.4Å; F152-S155 PolarHBondContact O-N 2.84Å; F152-S155 PolarHBondContact O-OG 2.59Å; S155-T187 CarbonylContact C-O 3.6Å; S155-T187 WeakPolarHBondContact CA-O 3.41Å
156	K	89.9	Confident	88.2	Confident	107 Å²	107	70.1 Å²	70.1	47%	0.465	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	-37.2	168.8	-67.7	-174.1	-176.2	176.4	0	110.9	N107 D109 T187	N107-K156 PolarHBondContact O-NZ 3.29Å; D109-K156 HydrophobicContact CB-CD 4.24Å; D109-K156 WeakPolarHBondContact OD2-CD 3.46Å; D109-K156 IonicContact OD2-NZ 3.95Å; D109-K156 PolarHBondContact OD2-NZ 3.09Å; K156-T187 HydrophobicContact CB-CG2 4.47Å; K156-T187 PolarHBondContact N-O 3.17Å
157	R	89.8	Confident	87.7	Confident	178 Å²	178	72.5 Å²	72.5	67%	0.672	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-154.5	140.5	179	-169.9	174.6	-178.1	153.3	0.4	109.5	T187	R157-T187 PolarHBondContact N-O 3.09Å; R157-T187 PolarHBondContact O-N 3.44Å
158	S	91.3	Very high	87.5	Confident	60 Å²	60	72 Å²	72	42%	0.42	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	141.7	170.7	57	0	0	0	0	109.4	T185	S158-T185 WeakPolarHBondContact CA-O 3.47Å
159	F	90.5	Very high	87.4	Confident	93 Å²	93	74.7 Å²	74.7	41%	0.408	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	148.5	174.2	63.1	-88.5	0	0	0	111.4	H161 I184 T185	F159-H161 AromaticContact CE2-CE1 3.91Å; F159-H161 AromaticContact CE2-ND1 3.97Å; F159-I184 WeakPolarHBondContact O-CA 3.19Å; F159-I184 WeakPolarHBondContact O-CG2 3.44Å; F159-T185 HydrophobicContact CE1-CG2 3.72Å; F159-T185 HydrophobicContact CZ-CG2 3.75Å; F159-T185 WeakPolarHBondContact CZ-OG1 3.35Å; F159-T185 PolarHBondContact N-O 2.62Å; F159-T185 PolarHBondContact O-N 3.02Å
160	I	89.3	Confident	87.4	Confident	78 Å²	78	72.7 Å²	72.7	40%	0.4	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	136.2	173.3	-59.3	166.5	0	0	0	107.1	I168 V182 I184	I160-I168 HydrophobicContact CG2-CG1 4.5Å; I160-V182 HydrophobicContact CD1-CG2 4.33Å; I160-V182 HydrophobicContact CG1-CG2 4.1Å; I160-V182 HydrophobicContact CG2-CG2 3.7Å; I160-I184 HydrophobicContact CG1-CG1 4.32Å
161	H	85.4	Confident	87.4	Confident	29 Å²	29	75.1 Å²	75.1	13%	0.134	38%	0.377	C	S	.	.			trans	-74.6	131.3	178.4	-65.1	-94.3	0	0	0	111.9	T113 F159 N167 R183 T185	T113-H161 WeakPolarHBondContact CG2-NE2 3.35Å; F159-H161 AromaticContact CE2-CE1 3.91Å; F159-H161 AromaticContact CE2-ND1 3.97Å; H161-N167 HydrophobicContact CB-CB 4.38Å; H161-N167 VanDerWaalsContact CB-ND2 3.27Å; H161-N167 WeakPolarHBondContact CB-ND2 3.39Å; H161-N167 WeakPolarHBondContact O-CB 3.44Å; H161-N167 PolarHBondContact O-N 3.47Å; H161-R183 PolarHBondContact N-O 3.49Å; H161-T185 PolarHBondContact CE1-OG1 3.41Å; H161-T185 PolarHBondContact NE2-OG1 2.9Å
162	D	82.7	Confident	87.4	Confident	115 Å²	115	72.5 Å²	72.5	62%	0.615	37%	0.366	S	S	*	.			trans	-137	26.5	-171.5	65.1	-17.9	0	0	0	114.2	T164	D162-T164 PolarHBondContact O-N 3.39Å
163	T	77	Confident	87.3	Confident	123 Å²	123	75.8 Å²	75.8	76%	0.755	38%	0.378	S	S	*	.	S	Bend	trans	-57.2	-41	-169.7	-47.9	0	0	0	0	115.3
164	T	78.4	Confident	87.3	Confident	131 Å²	131	75.8 Å²	75.8	80%	0.804	38%	0.379	S	S	*	.	S	Bend	trans	-123.7	-40.1	178	53.6	0	0	0	0	111.6	D162	D162-T164 PolarHBondContact O-N 3.39Å
165	M	76.6	Confident	87.5	Confident	134 Å²	134	75 Å²	75	66%	0.66	38%	0.378	S	S	*	.	S	Bend	trans	-143	161.6	167.6	-73.2	-177.9	160.6	0	0	107.7	N167	M165-N167 PolarHBondContact O-N 3.35Å
166	E	78.3	Confident	87.4	Confident	76 Å²	76	73.1 Å²	73.1	36%	0.355	37%	0.365	S	S	.	.			trans	-56.2	124.1	169.9	-66.1	174.5	179.4	0	0	108.7	A139 K143 I168	A139-E166 HydrophobicContact CB-CB 4.29Å; K143-E166 IonicContact NZ-OE1 3.97Å; K143-E166 PolarHBondContact NZ-OE1 3.08Å; K143-E166 IonicContact NZ-OE2 3.54Å; E166-I168 HydrophobicContact CB-CD1 4.02Å; E166-I168 HydrophobicContact CB-CG1 4.22Å; E166-I168 PolarHBondContact O-N 3.38Å
167	N	82.9	Confident	87.6	Confident	60 Å²	60	70.8 Å²	70.8	32%	0.321	36%	0.357	S	S	.	.			trans	-77	63.1	179.6	-76	-32	0	0	0	111.3	H161 M165 V182 R183	H161-N167 HydrophobicContact CB-CB 4.38Å; H161-N167 VanDerWaalsContact CB-ND2 3.27Å; H161-N167 WeakPolarHBondContact CB-ND2 3.39Å; H161-N167 WeakPolarHBondContact O-CB 3.44Å; H161-N167 PolarHBondContact O-N 3.47Å; M165-N167 PolarHBondContact O-N 3.35Å; N167-V182 WeakPolarHBondContact O-CA 3.43Å; N167-R183 HydrophobicContact CB-CB 3.9Å; N167-R183 PolarHBondContact O-N 2.83Å; N167-R183 VanDerWaalsContact O-N 3.14Å
168	I	90.3	Very high	87.8	Confident	27 Å²	27	62.4 Å²	62.4	14%	0.138	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	127.7	-178.6	-60.3	172.2	0	0	0	108.4	A139 V142 I160 E166 Y180 S181 V182	A139-I168 HydrophobicContact CB-CB 4.22Å; V142-I168 HydrophobicContact CG2-CG2 3.94Å; I160-I168 HydrophobicContact CG2-CG1 4.5Å; E166-I168 HydrophobicContact CB-CD1 4.02Å; E166-I168 HydrophobicContact CB-CG1 4.22Å; E166-I168 PolarHBondContact O-N 3.38Å; I168-Y180 HydrophobicContact CG2-CD2 4.05Å; I168-Y180 HydrophobicContact CG2-CE2 3.34Å; I168-S181 CarbonylContact C-O 3.59Å; I168-S181 WeakPolarHBondContact CA-O 3.16Å; I168-V182 HydrophobicContact CG1-CB 4.43Å; I168-V182 HydrophobicContact CG1-CG2 3.98Å
169	M	90.8	Very high	88	Confident	61 Å²	61	60.1 Å²	60.1	30%	0.3	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	121.8	173	178.5	-173.8	68.3	0	0	108.9	T136 L179 Y180 S181	T136-M169 HydrophobicContact CG2-CG 4.05Å; M169-L179 HydrophobicContact CE-CD2 4.07Å; M169-L179 HydrophobicContact CE-CG 4.27Å; M169-Y180 CarbonylContact O-C 3.6Å; M169-Y180 WeakPolarHBondContact O-CA 3.1Å; M169-S181 PolarHBondContact N-O 2.86Å; M169-S181 PolarHBondContact O-N 2.94Å
170	L	92.9	Very high	88.3	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	125.5	171.2	-179.2	68.7	0	0	0	109.4	T136 F137 L141 V142 I145 V172 I178 Y180	T136-L170 CarbonylContact C-O 3.56Å; T136-L170 WeakPolarHBondContact CA-O 3.22Å; F137-L170 HydrophobicContact CB-CD2 4.27Å; F137-L170 PolarHBondContact N-O 3.14Å; L141-L170 HydrophobicContact CB-CD2 4.3Å; L141-L170 HydrophobicContact CD2-CD2 3.91Å; L141-L170 HydrophobicContact CG-CD2 4.02Å; V142-L170 HydrophobicContact CG2-CB 3.93Å; V142-L170 HydrophobicContact CG2-CD2 3.95Å; V142-L170 HydrophobicContact CG2-CG 4.4Å; I145-L170 HydrophobicContact CD1-CD1 4.04Å; I145-L170 HydrophobicContact CD1-CD2 3.64Å; L170-V172 HydrophobicContact CG-CG2 4.45Å; L170-I178 HydrophobicContact CD1-CG2 3.45Å; L170-I178 VanDerWaalsContact CD1-CG2 3.45Å; L170-Y180 HydrophobicContact CD1-CD2 4.39Å
171	R	92.9	Very high	88.5	Confident	75 Å²	75	53.4 Å²	53.4	28%	0.283	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	122.3	176.4	179.1	176.5	-69.6	172.5	6.9	109.8	S134 R135 T136 Y173 I178 L179	S134-R171 WeakPolarHBondContact OG-CD 3.34Å; R135-R171 CarbonylContact O-C 3.55Å; R135-R171 VanDerWaalsContact O-CA 3.31Å; R135-R171 WeakPolarHBondContact O-CA 3.39Å; T136-R171 PolarHBondContact OG1-NE 3.01Å; R171-Y173 HydrophobicContact CG-CE2 4.21Å; R171-I178 WeakPolarHBondContact O-CA 3.45Å; R171-L179 HydrophobicContact CB-CB 4.25Å; R171-L179 PolarHBondContact N-O 3.01Å; R171-L179 PolarHBondContact O-N 3.25Å
172	V	92.8	Very high	88.9	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.006	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	131.5	178.6	-170.9	0	0	0	0	109	L125 F127 S134 R135 F137 L170 I178	L125-V172 HydrophobicContact CB-CG1 4.22Å; F127-V172 HydrophobicContact CD1-CG1 4.43Å; F127-V172 HydrophobicContact CE1-CB 4.28Å; F127-V172 HydrophobicContact CE1-CG1 4.05Å; S134-V172 WeakPolarHBondContact CA-O 3.35Å; R135-V172 PolarHBondContact N-O 3.5Å; R135-V172 PolarHBondContact O-N 3.17Å; F137-V172 HydrophobicContact CD2-CB 4.35Å; F137-V172 HydrophobicContact CD2-CG2 3.83Å; F137-V172 HydrophobicContact CE2-CB 3.83Å; F137-V172 HydrophobicContact CE2-CG2 3.74Å; L170-V172 HydrophobicContact CG-CG2 4.45Å; V172-I178 HydrophobicContact CG1-CG1 4.24Å; V172-I178 HydrophobicContact CG2-CG1 4.35Å
173	Y	93.1	Very high	89.4	Confident	78 Å²	78	49.7 Å²	49.7	31%	0.306	25%	0.254	S	S	.	.			trans	-93.5	155.2	175.3	-68.3	-99.7	0	0	0	110.2	R171 D175 G176 N177 L179	R171-Y173 HydrophobicContact CG-CE2 4.21Å; Y173-D175 WeakPolarHBondContact CB-OD1 3.47Å; Y173-D175 PolarHBondContact O-N 3.21Å; Y173-D175 VanDerWaalsContact O-N 3.16Å; Y173-G176 PolarHBondContact O-N 3.16Å; Y173-N177 WeakPolarHBondContact CB-O 3.28Å; Y173-N177 HydrophobicContact CD2-CB 4.22Å; Y173-N177 WeakPolarHBondContact CD2-O 3.36Å; Y173-N177 HydrophobicContact CG-CB 4.37Å; Y173-N177 PolarHBondContact N-O 2.99Å; Y173-L179 HydrophobicContact CE2-CB 4.24Å
174	P	91	Very high	90.2	Very high	28 Å²	28	44.6 Å²	44.6	18%	0.182	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-23.2	-174.6	-27.3	38.7	0	0	0	115.3	F127 S129 G176	F127-P174 HydrophobicContact CE2-CB 4.47Å; F127-P174 HydrophobicContact CE2-CG 4.14Å; F127-P174 HydrophobicContact CZ-CG 4.06Å; F127-P174 PolarHBondContact N-O 3.01Å; S129-P174 VanDerWaalsContact CB-CG 3.47Å; P174-G176 VanDerWaalsContact C-N 3.26Å
175	D	90.1	Very high	91	Very high	81 Å²	81	38.7 Å²	38.7	43%	0.433	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	1.9	176.4	57.1	-9.4	0	0	0	113.4	Y173 N177	Y173-D175 WeakPolarHBondContact CB-OD1 3.47Å; Y173-D175 PolarHBondContact O-N 3.21Å; Y173-D175 VanDerWaalsContact O-N 3.16Å; D175-N177 VanDerWaalsContact C-N 3.32Å; D175-N177 VanDerWaalsContact CG-ND2 3.31Å; D175-N177 WeakPolarHBondContact OD1-CB 3.49Å; D175-N177 PolarHBondContact OD1-N 2.95Å; D175-N177 PolarHBondContact OD2-ND2 3.33Å
176	G	90.5	Very high	91.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	84.5	3.1	-176.3	0	0	0	0	0	113.6	Q121 D122 Y173 P174	Q121-G176 WeakPolarHBondContact CA-O 3.09Å; D122-G176 PolarHBondContact N-O 3.2Å; D122-G176 WeakPolarHBondContact O-CA 3.29Å; Y173-G176 PolarHBondContact O-N 3.16Å; P174-G176 VanDerWaalsContact C-N 3.26Å
177	N	93.9	Very high	92.7	Very high	59 Å²	59	29.8 Å²	29.8	32%	0.316	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	139	170	-80.1	-46.8	0	0	0	110.5	Y173 D175	Y173-N177 WeakPolarHBondContact CB-O 3.28Å; Y173-N177 HydrophobicContact CD2-CB 4.22Å; Y173-N177 WeakPolarHBondContact CD2-O 3.36Å; Y173-N177 HydrophobicContact CG-CB 4.37Å; Y173-N177 PolarHBondContact N-O 2.99Å; D175-N177 VanDerWaalsContact C-N 3.32Å; D175-N177 VanDerWaalsContact CG-ND2 3.31Å; D175-N177 WeakPolarHBondContact OD1-CB 3.49Å; D175-N177 PolarHBondContact OD1-N 2.95Å; D175-N177 PolarHBondContact OD2-ND2 3.33Å
178	I	94.6	Very high	93.3	Very high	2 Å²	2	27 Å²	27	1%	0.01	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	133.4	-175.8	-58.8	169.2	0	0	0	108.8	Y119 W120 D122 L125 L170 R171 V172	Y119-I178 WeakPolarHBondContact CA-O 3.33Å; W120-I178 HydrophobicContact CD2-CB 4.08Å; W120-I178 HydrophobicContact CD2-CG2 4.41Å; W120-I178 HydrophobicContact CE3-CB 4.22Å; W120-I178 HydrophobicContact CE3-CG2 4.24Å; W120-I178 HydrophobicContact CH2-CB 4.13Å; W120-I178 HydrophobicContact CH2-CG2 3.4Å; W120-I178 HydrophobicContact CZ2-CB 3.97Å; W120-I178 HydrophobicContact CZ2-CD1 3.79Å; W120-I178 HydrophobicContact CZ2-CG1 4.48Å; W120-I178 HydrophobicContact CZ2-CG2 3.57Å; W120-I178 HydrophobicContact CZ3-CB 4.23Å; W120-I178 HydrophobicContact CZ3-CG2 3.75Å; W120-I178 PolarHBondContact N-O 2.91Å; W120-I178 PolarHBondContact O-N 3.34Å; D122-I178 HydrophobicContact CB-CD1 3.79Å; L125-I178 HydrophobicContact CB-CD1 4.43Å; L125-I178 HydrophobicContact CD1-CD1 3.48Å; L125-I178 VanDerWaalsContact CD1-CD1 3.48Å; L170-I178 HydrophobicContact CD1-CG2 3.45Å; L170-I178 VanDerWaalsContact CD1-CG2 3.45Å; R171-I178 WeakPolarHBondContact O-CA 3.45Å; V172-I178 HydrophobicContact CG1-CG1 4.24Å; V172-I178 HydrophobicContact CG2-CG1 4.35Å
179	L	95.1	Very high	93.5	Very high	11 Å²	11	29.9 Å²	29.9	6%	0.058	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	113.4	166.8	165.3	54	0	0	0	107.8	R117 Y119 M169 R171 Y173	R117-L179 HydrophobicContact CB-CD1 4.06Å; R117-L179 HydrophobicContact CG-CD1 4.17Å; Y119-L179 HydrophobicContact CD1-CB 4.11Å; Y119-L179 HydrophobicContact CD1-CD1 4Å; Y119-L179 HydrophobicContact CE1-CB 3.88Å; Y119-L179 HydrophobicContact CE1-CD1 3.38Å; Y119-L179 HydrophobicContact CE1-CD2 4.01Å; Y119-L179 HydrophobicContact CE1-CG 3.93Å; Y119-L179 HydrophobicContact CE2-CD1 4.01Å; M169-L179 HydrophobicContact CE-CD2 4.07Å; M169-L179 HydrophobicContact CE-CG 4.27Å; R171-L179 HydrophobicContact CB-CB 4.25Å; R171-L179 PolarHBondContact N-O 3.01Å; R171-L179 PolarHBondContact O-N 3.25Å; Y173-L179 HydrophobicContact CE2-CB 4.24Å
180	Y	95.1	Very high	93.6	Very high	21 Å²	21	27.1 Å²	27.1	8%	0.082	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	128.5	169.7	175.7	-97.9	0	0	0	108.5	R117 H118 W120 V142 V147 I168 M169 L170 V182	R117-Y180 CarbonylContact C-O 3.55Å; R117-Y180 WeakPolarHBondContact CA-O 3.49Å; H118-Y180 HydrophobicContact CB-CD1 4.36Å; H118-Y180 PolarHBondContact N-O 2.93Å; H118-Y180 AromaticContact ND1-CD1 3.33Å; H118-Y180 VanDerWaalsContact ND1-CD1 3.33Å; H118-Y180 WeakPolarHBondContact ND1-CD1 3.44Å; H118-Y180 AromaticContact ND1-CE1 3.78Å; H118-Y180 PolarHBondContact O-N 3.18Å; W120-Y180 HydrophobicContact CH2-CG 4.44Å; W120-Y180 VanDerWaalsContact CZ3-CB 3.44Å; W120-Y180 HydrophobicContact CZ3-CG 4.4Å; V142-Y180 HydrophobicContact CG1-CD2 4.42Å; V142-Y180 HydrophobicContact CG1-CE2 3.68Å; V142-Y180 HydrophobicContact CG2-CD2 4.4Å; V142-Y180 HydrophobicContact CG2-CE2 4.12Å; V147-Y180 HydrophobicContact CG1-CD1 4.49Å; V147-Y180 HydrophobicContact CG1-CE1 4.44Å; V147-Y180 HydrophobicContact CG1-CE2 4.47Å; I168-Y180 HydrophobicContact CG2-CD2 4.05Å; I168-Y180 HydrophobicContact CG2-CE2 3.34Å; M169-Y180 CarbonylContact O-C 3.6Å; M169-Y180 WeakPolarHBondContact O-CA 3.1Å; L170-Y180 HydrophobicContact CD1-CD2 4.39Å; Y180-V182 HydrophobicContact CD1-CG1 4.46Å; Y180-V182 HydrophobicContact CE1-CB 3.91Å; Y180-V182 HydrophobicContact CE1-CG1 3.68Å
181	S	94.2	Very high	93.6	Very high	10 Å²	10	31.2 Å²	31.2	7%	0.07	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	134	176.2	-168.3	0	0	0	0	108.9	L116 R117 I168 M169	L116-S181 CarbonylContact O-C 3.57Å; L116-S181 WeakPolarHBondContact O-CA 3.45Å; R117-S181 VanDerWaalsContact CG-OG 3.28Å; R117-S181 WeakPolarHBondContact CG-OG 3.46Å; I168-S181 CarbonylContact C-O 3.59Å; I168-S181 WeakPolarHBondContact CA-O 3.16Å; M169-S181 PolarHBondContact N-O 2.86Å; M169-S181 PolarHBondContact O-N 2.94Å
182	V	93.6	Very high	93.5	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.024	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	140.5	177.6	58.3	0	0	0	0	109.9	Y115 L116 I160 N167 I168 Y180 I184	Y115-V182 CarbonylContact C-O 3.56Å; Y115-V182 WeakPolarHBondContact CA-O 3.23Å; L116-V182 HydrophobicContact CB-CG1 4.06Å; L116-V182 PolarHBondContact N-O 2.91Å; L116-V182 PolarHBondContact O-N 3.34Å; I160-V182 HydrophobicContact CD1-CG2 4.33Å; I160-V182 HydrophobicContact CG1-CG2 4.1Å; I160-V182 HydrophobicContact CG2-CG2 3.7Å; N167-V182 WeakPolarHBondContact O-CA 3.43Å; I168-V182 HydrophobicContact CG1-CB 4.43Å; I168-V182 HydrophobicContact CG1-CG2 3.98Å; Y180-V182 HydrophobicContact CD1-CG1 4.46Å; Y180-V182 HydrophobicContact CE1-CB 3.91Å; Y180-V182 HydrophobicContact CE1-CG1 3.68Å; V182-I184 HydrophobicContact CB-CG1 4.42Å; V182-I184 HydrophobicContact CG1-CD1 3.67Å; V182-I184 HydrophobicContact CG1-CG1 3.91Å; V182-I184 HydrophobicContact CG2-CD1 4.28Å; V182-I184 HydrophobicContact CG2-CG1 3.82Å
183	R	93.8	Very high	93.5	Very high	62 Å²	62	32 Å²	32	23%	0.234	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	122.2	172.4	-167.5	-170.2	179.1	-178.5	-1.8	109.6	E98 T113 L114 Y115 H161 N167	E98-R183 IonicContact OE1-CZ 3.42Å; E98-R183 VanDerWaalsContact OE1-CZ 3.31Å; E98-R183 IonicContact OE1-NE 2.75Å; E98-R183 IonicContact OE1-NH2 3.48Å; E98-R183 PolarHBondContact OE1-NH2 2.98Å; E98-R183 IonicContact OE2-CZ 3.77Å; E98-R183 IonicContact OE2-NE 2.9Å; E98-R183 PolarHBondContact OE2-NE 2.92Å; E98-R183 IonicContact OE2-NH2 3.39Å; E98-R183 PolarHBondContact OE2-NH2 2.88Å; T113-R183 HydrophobicContact CG2-CG 4.23Å; L114-R183 WeakPolarHBondContact O-CA 3.37Å; Y115-R183 HydrophobicContact CD1-CB 3.78Å; Y115-R183 HydrophobicContact CD1-CG 3.94Å; Y115-R183 HydrophobicContact CE1-CB 3.7Å; Y115-R183 HydrophobicContact CE1-CG 3.63Å; H161-R183 PolarHBondContact N-O 3.49Å; N167-R183 HydrophobicContact CB-CB 3.9Å; N167-R183 PolarHBondContact O-N 2.83Å; N167-R183 VanDerWaalsContact O-N 3.14Å
184	I	93.8	Very high	93.5	Very high	16 Å²	16	28.4 Å²	28.4	8%	0.082	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	136.3	-175	-51.1	179.4	0	0	0	109.2	T113 L114 L116 F152 F159 I160 V182 V186	T113-I184 WeakPolarHBondContact CA-O 3.45Å; L114-I184 PolarHBondContact N-O 3Å; L114-I184 PolarHBondContact O-N 3.18Å; L116-I184 HydrophobicContact CB-CD1 4.38Å; L116-I184 HydrophobicContact CD2-CD1 4.12Å; F152-I184 HydrophobicContact CE2-CD1 4.08Å; F152-I184 HydrophobicContact CE2-CG2 4.14Å; F152-I184 HydrophobicContact CZ-CD1 4.33Å; F159-I184 WeakPolarHBondContact O-CA 3.19Å; F159-I184 WeakPolarHBondContact O-CG2 3.44Å; I160-I184 HydrophobicContact CG1-CG1 4.32Å; V182-I184 HydrophobicContact CB-CG1 4.42Å; V182-I184 HydrophobicContact CG1-CD1 3.67Å; V182-I184 HydrophobicContact CG1-CG1 3.91Å; V182-I184 HydrophobicContact CG2-CD1 4.28Å; V182-I184 HydrophobicContact CG2-CG1 3.82Å; I184-V186 HydrophobicContact CB-CG2 4.44Å; I184-V186 HydrophobicContact CG2-CG2 3.59Å
185	T	95	Very high	93.5	Very high	6 Å²	6	29 Å²	29	4%	0.037	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	128.8	160.5	-58.5	0	0	0	0	108.9	T111 M112 T113 S158 F159 H161	T111-T185 HydrophobicContact CG2-CG2 3.45Å; T111-T185 VanDerWaalsContact CG2-CG2 3.45Å; M112-T185 CarbonylContact O-C 3.59Å; M112-T185 VanDerWaalsContact O-CA 3.31Å; M112-T185 WeakPolarHBondContact O-CA 3.43Å; T113-T185 PolarHBondContact OG1-OG1 2.86Å; S158-T185 WeakPolarHBondContact CA-O 3.47Å; F159-T185 HydrophobicContact CE1-CG2 3.72Å; F159-T185 HydrophobicContact CZ-CG2 3.75Å; F159-T185 WeakPolarHBondContact CZ-OG1 3.35Å; F159-T185 PolarHBondContact N-O 2.62Å; F159-T185 PolarHBondContact O-N 3.02Å; H161-T185 PolarHBondContact CE1-OG1 3.41Å; H161-T185 PolarHBondContact NE2-OG1 2.9Å
186	V	95.4	Very high	93.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	128.5	179.1	-174.4	0	0	0	0	109.6	T111 M112 F152 I184 A188 L206	T111-V186 WeakPolarHBondContact CA-O 3.25Å; M112-V186 PolarHBondContact N-O 2.89Å; M112-V186 PolarHBondContact O-N 3.29Å; F152-V186 HydrophobicContact CB-CG1 4.2Å; F152-V186 HydrophobicContact CD1-CG1 4.3Å; F152-V186 HydrophobicContact CD1-CG2 4.24Å; F152-V186 HydrophobicContact CD2-CG1 4.18Å; F152-V186 HydrophobicContact CD2-CG2 3.66Å; F152-V186 HydrophobicContact CE1-CG2 4Å; F152-V186 HydrophobicContact CE2-CG2 3.4Å; F152-V186 VanDerWaalsContact CE2-CG2 3.4Å; F152-V186 HydrophobicContact CG-CG1 3.97Å; F152-V186 HydrophobicContact CG-CG2 4.08Å; F152-V186 HydrophobicContact CZ-CG2 3.58Å; I184-V186 HydrophobicContact CB-CG2 4.44Å; I184-V186 HydrophobicContact CG2-CG2 3.59Å; V186-A188 HydrophobicContact CG1-CB 4.38Å; V186-L206 HydrophobicContact CG1-CD1 4Å
187	T	95.8	Very high	93.7	Very high	23 Å²	23	27.5 Å²	27.5	14%	0.141	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	109.4	165.1	-55.1	0	0	0	0	108.2	D109 F110 T111 S155 K156 R157	D109-T187 HydrophobicContact CB-CG2 4.08Å; F110-T187 CarbonylContact O-C 3.54Å; F110-T187 VanDerWaalsContact O-CA 3.32Å; F110-T187 WeakPolarHBondContact O-CA 3.36Å; T111-T187 WeakPolarHBondContact OG1-CG2 3.32Å; T111-T187 PolarHBondContact OG1-OG1 3.16Å; S155-T187 CarbonylContact C-O 3.6Å; S155-T187 WeakPolarHBondContact CA-O 3.41Å; K156-T187 HydrophobicContact CB-CG2 4.47Å; K156-T187 PolarHBondContact N-O 3.17Å; R157-T187 PolarHBondContact N-O 3.09Å; R157-T187 PolarHBondContact O-N 3.44Å
188	A	95.1	Very high	93.6	Very high	3 Å²	3	24.8 Å²	24.8	3%	0.025	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	148.2	-177.7	0	0	0	0	0	111.5	D109 F110 V186 L206	D109-A188 VanDerWaalsContact CA-O 3.3Å; D109-A188 WeakPolarHBondContact CA-O 3.11Å; D109-A188 VanDerWaalsContact CB-O 3.25Å; D109-A188 WeakPolarHBondContact CB-O 3.22Å; F110-A188 HydrophobicContact CE1-CB 3.92Å; F110-A188 HydrophobicContact CE2-CB 4.13Å; F110-A188 HydrophobicContact CZ-CB 3.65Å; F110-A188 PolarHBondContact N-O 3.28Å; F110-A188 PolarHBondContact O-N 3.3Å; V186-A188 HydrophobicContact CG1-CB 4.38Å; A188-L206 HydrophobicContact CB-CD1 3.62Å
189	L	94.3	Very high	93.3	Very high	86 Å²	86	26.8 Å²	26.8	45%	0.45	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	133.2	175.7	-175.3	132.5	0	0	0	110.1	H154	H154-L189 HydrophobicContact CB-CB 4.47Å; H154-L189 PolarHBondContact O-N 2.65Å
190	C	93.6	Very high	93.2	Very high	4 Å²	4	26.4 Å²	26.4	3%	0.027	16%	0.156	C	C	.	.			trans	-135.4	112.4	171.4	174.8	0	0	0	0	109.1	M108 F110 M192 C204	M108-C190 CarbonylContact C-O 3.49Å; M108-C190 VanDerWaalsContact C-O 3.3Å; M108-C190 WeakPolarHBondContact CB-O 3.35Å; M108-C190 CarbonylContact O-C 3.59Å; M108-C190 PolarHBondContact O-N 3.47Å; F110-C190 HydrophobicContact CD1-CB 3.55Å; F110-C190 HydrophobicContact CE1-CB 3.83Å; C190-M192 HydrophobicContact CB-CE 4.29Å; C190-M192 PolarHBondContact O-N 3.32Å; C190-C204 HydrophobicContact CB-CB 3.75Å; C190-C204 WeakPolarHBondContact CB-SG 3.5Å; C190-C204 WeakPolarHBondContact SG-CA 3.06Å; C190-C204 WeakPolarHBondContact SG-CB 3.45Å; C190-C204 CovalentContact SG-SG 2.04Å; C190-C204 PolarHBondContact SG-SG 2.93Å
191	A	91.5	Very high	93.1	Very high	86 Å²	86	28.3 Å²	28.3	71%	0.711	17%	0.169	S	C	*	.			trans	-74.8	94.8	175.2	0	0	0	0	0	109.6
192	M	92.1	Very high	93.1	Very high	10 Å²	10	28 Å²	28	5%	0.049	17%	0.167	C	C	.	.			trans	-80.4	146.9	-179.8	-62.3	173.4	-149.4	0	0	111.4	I103 E105 M108 C190 F194 Q202	I103-M192 HydrophobicContact CG2-CE 3.6Å; I103-M192 HydrophobicContact CG2-SD 4.17Å; E105-M192 HydrophobicContact CG-SD 4.36Å; M108-M192 HydrophobicContact SD-CB 3.97Å; C190-M192 HydrophobicContact CB-CE 4.29Å; C190-M192 PolarHBondContact O-N 3.32Å; M192-F194 HydrophobicContact CB-CE1 3.98Å; M192-F194 HydrophobicContact CB-CE2 4.03Å; M192-F194 HydrophobicContact CB-CZ 3.58Å; M192-F194 HydrophobicContact CG-CZ 4.36Å; M192-F194 HydrophobicContact SD-CE1 4.3Å; M192-F194 HydrophobicContact SD-CZ 3.91Å; M192-Q202 HydrophobicContact CB-CG 4.35Å; M192-Q202 VanDerWaalsContact CB-OE1 3.27Å; M192-Q202 HydrophobicContact CG-CB 4.49Å; M192-Q202 HydrophobicContact CG-CG 4.23Å
193	D	92.9	Very high	93.1	Very high	83 Å²	83	35.4 Å²	35.4	44%	0.444	20%	0.199	S	C	.	.			trans	-109.2	113.3	173.8	179.2	21.5	0	0	0	111.5	S195 Q202	D193-S195 VanDerWaalsContact CG-OG 3.31Å; D193-S195 VanDerWaalsContact OD1-CB 3.26Å; D193-S195 WeakPolarHBondContact OD1-CB 2.91Å; D193-S195 PolarHBondContact OD1-N 2.99Å; D193-S195 PolarHBondContact OD1-OG 3.14Å; D193-S195 PolarHBondContact OD2-OG 3.39Å; D193-Q202 PolarHBondContact O-NE2 3.35Å
194	F	92.4	Very high	93.1	Very high	1 Å²	1	32.6 Å²	32.6	0%	0.004	19%	0.188	C	C	.	.			trans	-97.5	11.6	-179	-56.7	-61.8	0	0	0	113.5	E105 M108 M192 S196 F197 P327 V329 Y331 K333	E105-F194 HydrophobicContact CB-CE1 4.18Å; E105-F194 HydrophobicContact CB-CZ 3.74Å; E105-F194 HydrophobicContact CG-CE1 4.03Å; E105-F194 HydrophobicContact CG-CZ 4.02Å; M108-F194 HydrophobicContact CE-CD2 4.09Å; M108-F194 HydrophobicContact CE-CE2 3.49Å; M108-F194 VanDerWaalsContact CE-CE2 3.49Å; M108-F194 HydrophobicContact SD-CE2 3.71Å; M108-F194 HydrophobicContact SD-CZ 4.23Å; M192-F194 HydrophobicContact CB-CE1 3.98Å; M192-F194 HydrophobicContact CB-CE2 4.03Å; M192-F194 HydrophobicContact CB-CZ 3.58Å; M192-F194 HydrophobicContact CG-CZ 4.36Å; M192-F194 HydrophobicContact SD-CE1 4.3Å; M192-F194 HydrophobicContact SD-CZ 3.91Å; F194-S196 PolarHBondContact O-N 3.45Å; F194-F197 HydrophobicContact CB-CB 4.08Å; F194-F197 HydrophobicContact CD1-CD2 4.12Å; F194-F197 WeakPolarHBondContact O-CB 3.44Å; F194-F197 PolarHBondContact O-N 3.49Å; F194-P327 HydrophobicContact CD2-CG 3.87Å; F194-P327 HydrophobicContact CE2-CG 3.39Å; F194-P327 HydrophobicContact CZ-CG 4.02Å; F194-V329 HydrophobicContact CD2-CG1 4.01Å; F194-Y331 HydrophobicContact CB-CE2 4.11Å; F194-Y331 PolarHBondContact N-OH 3.43Å; F194-K333 HydrophobicContact CB-CD 4.17Å; F194-K333 HydrophobicContact CB-CG 4.48Å
195	S	91.9	Very high	93.1	Very high	42 Å²	42	33.7 Å²	33.7	29%	0.294	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-43.3	-180	61	0	0	0	0	112.4	D193 A334	D193-S195 VanDerWaalsContact CG-OG 3.31Å; D193-S195 VanDerWaalsContact OD1-CB 3.26Å; D193-S195 WeakPolarHBondContact OD1-CB 2.91Å; D193-S195 PolarHBondContact OD1-N 2.99Å; D193-S195 PolarHBondContact OD1-OG 3.14Å; D193-S195 PolarHBondContact OD2-OG 3.39Å; S195-A334 PolarHBondContact O-N 2.92Å
196	S	91.8	Very high	93.1	Very high	47 Å²	47	33.5 Å²	33.5	33%	0.329	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99	18	-179.9	-57.1	0	0	0	0	113.7	F194 L199 D200	F194-S196 PolarHBondContact O-N 3.45Å; S196-L199 CarbonylContact O-C 3.46Å; S196-L199 WeakPolarHBondContact O-CA 3.3Å; S196-L199 PolarHBondContact O-N 3.27Å; S196-D200 PolarHBondContact O-N 3.17Å
197	F	91.6	Very high	93.1	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.009	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	133	-178.2	179.1	-82	0	0	0	112.1	F194 F275 M326 A334 V335	F194-F197 HydrophobicContact CB-CB 4.08Å; F194-F197 HydrophobicContact CD1-CD2 4.12Å; F194-F197 WeakPolarHBondContact O-CB 3.44Å; F194-F197 PolarHBondContact O-N 3.49Å; F197-F275 HydrophobicContact CE1-CD1 4.22Å; F197-F275 HydrophobicContact CE1-CE1 4.11Å; F197-F275 HydrophobicContact CE2-CE1 4.37Å; F197-F275 HydrophobicContact CE2-CZ 4.19Å; F197-F275 AromaticContact CZ-CD1 3.95Å; F197-F275 HydrophobicContact CZ-CD1 3.95Å; F197-F275 AromaticContact CZ-CE1 3.42Å; F197-F275 HydrophobicContact CZ-CE1 3.42Å; F197-F275 VanDerWaalsContact CZ-CE1 3.42Å; F197-F275 HydrophobicContact CZ-CE2 4.41Å; F197-F275 AromaticContact CZ-CZ 3.67Å; F197-F275 HydrophobicContact CZ-CZ 3.67Å; F197-M326 HydrophobicContact CD1-CE 4.01Å; F197-M326 HydrophobicContact CD1-SD 3.5Å; F197-M326 VanDerWaalsContact CD1-SD 3.5Å; F197-M326 HydrophobicContact CD2-SD 3.89Å; F197-M326 HydrophobicContact CE1-CE 3.58Å; F197-M326 HydrophobicContact CE1-SD 3.13Å; F197-M326 WeakPolarHBondContact CE1-SD 3.08Å; F197-M326 HydrophobicContact CE2-CG 4.42Å; F197-M326 HydrophobicContact CE2-SD 3.51Å; F197-M326 VanDerWaalsContact CE2-SD 3.51Å; F197-M326 HydrophobicContact CG-SD 3.87Å; F197-M326 HydrophobicContact CZ-CE 4.07Å; F197-M326 HydrophobicContact CZ-CG 4.11Å; F197-M326 HydrophobicContact CZ-SD 3.12Å; F197-M326 WeakPolarHBondContact CZ-SD 3.45Å; F197-A334 WeakPolarHBondContact O-CB 3.43Å; F197-V335 HydrophobicContact CD1-CB 4.17Å; F197-V335 HydrophobicContact CD1-CG1 3.67Å; F197-V335 HydrophobicContact CE1-CG1 4.17Å; F197-V335 PolarHBondContact O-N 2.99Å; F197-V335 VanDerWaalsContact O-N 3.12Å
198	P	91.5	Very high	93.1	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.006	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	cis	-99.7	16	8.8	18.6	-0.1	0	0	0	114.7	D200 R270 I272 F275 Y280	P198-D200 WeakPolarHBondContact CA-OD1 3.23Å; P198-R270 WeakPolarHBondContact O-CD 3.23Å; P198-I272 HydrophobicContact CB-CD1 3.72Å; P198-I272 HydrophobicContact CG-CD1 3.56Å; P198-F275 HydrophobicContact CB-CB 4.1Å; P198-F275 HydrophobicContact CB-CD1 4.31Å; P198-F275 HydrophobicContact CB-CD2 3.72Å; P198-F275 HydrophobicContact CB-CE2 4.24Å; P198-F275 HydrophobicContact CB-CG 3.76Å; P198-F275 HydrophobicContact CG-CB 3.75Å; P198-F275 HydrophobicContact CG-CD1 4.41Å; P198-F275 HydrophobicContact CG-CD2 4.34Å; P198-F275 HydrophobicContact CG-CG 3.9Å; P198-Y280 WeakPolarHBondContact CD-OH 3.36Å; P198-Y280 HydrophobicContact CG-CE2 3.98Å
199	L	90.1	Very high	93.1	Very high	44 Å²	44	33.6 Å²	33.6	23%	0.23	20%	0.195	C	C	.	.	S	Bend	trans	-92.8	19.1	177.9	-66.3	156.4	0	0	0	111.3	S196 I272 W471 Y474	S196-L199 CarbonylContact O-C 3.46Å; S196-L199 WeakPolarHBondContact O-CA 3.3Å; S196-L199 PolarHBondContact O-N 3.27Å; L199-I272 HydrophobicContact CD2-CB 4.3Å; L199-I272 HydrophobicContact CD2-CD1 3.73Å; L199-I272 HydrophobicContact CD2-CG1 3.76Å; L199-I272 HydrophobicContact CG-CD1 3.81Å; L199-I272 HydrophobicContact CG-CG1 4.39Å; L199-W471 HydrophobicContact CD1-CZ3 4.03Å; L199-Y474 WeakPolarHBondContact CD1-O 3.41Å
200	D	92.2	Very high	93.1	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.021	17%	0.174	C	C	.	.			trans	-72.7	151.7	-174.1	54.2	-55.3	0	0	0	113.1	S196 P198 Q202 R270	S196-D200 PolarHBondContact O-N 3.17Å; P198-D200 WeakPolarHBondContact CA-OD1 3.23Å; D200-Q202 PolarHBondContact OD2-NE2 2.97Å; D200-R270 WeakPolarHBondContact OD1-CD 3.45Å; D200-R270 IonicContact OD1-CZ 2.74Å; D200-R270 IonicContact OD1-NE 2.72Å; D200-R270 PolarHBondContact OD1-NE 2.96Å; D200-R270 IonicContact OD1-NH2 3.11Å; D200-R270 IonicContact OD2-CZ 2.7Å; D200-R270 IonicContact OD2-NE 2.83Å; D200-R270 PolarHBondContact OD2-NE 2.91Å; D200-R270 IonicContact OD2-NH2 3.08Å; D200-R270 PolarHBondContact OD2-NH2 3.48Å
201	T	92.8	Very high	92.9	Very high	60 Å²	60	37.8 Å²	37.8	37%	0.368	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	121.4	169.8	-56.8	0	0	0	0	108	I267 L268	T201-I267 HydrophobicContact CG2-CG2 3.46Å; T201-I267 VanDerWaalsContact CG2-CG2 3.46Å; T201-L268 CarbonylContact C-O 3.59Å; T201-L268 WeakPolarHBondContact CA-O 3.41Å
202	Q	94.3	Very high	92.9	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.019	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	139.5	-176.5	-56.5	-55.1	-23.9	0	0	110.8	M192 D193 D200 F239 I267 L268	M192-Q202 HydrophobicContact CB-CG 4.35Å; M192-Q202 VanDerWaalsContact CB-OE1 3.27Å; M192-Q202 HydrophobicContact CG-CB 4.49Å; M192-Q202 HydrophobicContact CG-CG 4.23Å; D193-Q202 PolarHBondContact O-NE2 3.35Å; D200-Q202 PolarHBondContact OD2-NE2 2.97Å; Q202-F239 HydrophobicContact CG-CE1 4.44Å; Q202-I267 WeakPolarHBondContact O-CA 3.12Å; Q202-L268 HydrophobicContact CB-CB 4.36Å; Q202-L268 PolarHBondContact N-O 3.18Å; Q202-L268 PolarHBondContact O-N 3.19Å
203	K	93.9	Very high	92.9	Very high	160 Å²	160	38.6 Å²	38.6	70%	0.696	20%	0.204	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-113.8	104.8	175.7	-64.8	-178.1	-177.9	179.1	0	108.5	F266	K203-F266 WeakPolarHBondContact CA-O 3.13Å
204	C	94.1	Very high	92.9	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.014	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	134.1	178.7	-65.3	0	0	0	0	110.1	F110 C190 F266	F110-C204 HydrophobicContact CD1-CB 3.84Å; F110-C204 HydrophobicContact CE1-CB 3.71Å; F110-C204 HydrophobicContact CZ-CB 4.47Å; C190-C204 HydrophobicContact CB-CB 3.75Å; C190-C204 WeakPolarHBondContact CB-SG 3.5Å; C190-C204 WeakPolarHBondContact SG-CA 3.06Å; C190-C204 WeakPolarHBondContact SG-CB 3.45Å; C190-C204 CovalentContact SG-SG 2.04Å; C190-C204 PolarHBondContact SG-SG 2.93Å; C204-F266 PolarHBondContact N-O 3.36Å; C204-F266 PolarHBondContact O-N 2.94Å
205	S	93.9	Very high	93	Very high	40 Å²	40	39.5 Å²	39.5	28%	0.28	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	131.6	179.4	55.4	0	0	0	0	111.1	I264 N265	S205-I264 CarbonylContact C-O 3.6Å; S205-I264 VanDerWaalsContact CA-O 3.29Å; S205-I264 WeakPolarHBondContact CA-O 3.42Å; S205-N265 WeakPolarHBondContact CB-OD1 3.26Å
206	L	94.6	Very high	93	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	127.2	165.9	-173.9	69.8	0	0	0	109.2	F110 M112 L114 F152 V186 A188 Y263 I264	F110-L206 HydrophobicContact CZ-CB 4.31Å; F110-L206 HydrophobicContact CZ-CD1 4.5Å; M112-L206 HydrophobicContact SD-CD2 3.85Å; L114-L206 HydrophobicContact CD2-CD2 3.7Å; F152-L206 HydrophobicContact CD1-CD1 3.82Å; F152-L206 HydrophobicContact CD1-CD2 4.03Å; F152-L206 HydrophobicContact CD1-CG 3.97Å; F152-L206 HydrophobicContact CE1-CD1 4.4Å; F152-L206 HydrophobicContact CE1-CD2 3.8Å; F152-L206 HydrophobicContact CE1-CG 4.24Å; V186-L206 HydrophobicContact CG1-CD1 4Å; A188-L206 HydrophobicContact CB-CD1 3.62Å; L206-Y263 CarbonylContact O-C 3.47Å; L206-Y263 WeakPolarHBondContact O-CA 3.05Å; L206-I264 HydrophobicContact CB-CB 4.2Å; L206-I264 HydrophobicContact CD2-CD1 4.28Å; L206-I264 PolarHBondContact N-O 2.9Å; L206-I264 PolarHBondContact O-N 3.35Å
207	E	94.9	Very high	93	Very high	23 Å²	23	42.6 Å²	42.6	11%	0.107	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	130	-175.4	-67.6	177.2	-126.6	0	0	110.8	F152 V153 H154 R261 L262 Y263	F152-E207 WeakPolarHBondContact CA-O 3.5Å; V153-E207 HydrophobicContact CB-CB 4.14Å; V153-E207 HydrophobicContact CG2-CB 4.26Å; V153-E207 PolarHBondContact N-O 3.44Å; H154-E207 IonicContact CE1-OE1 2.7Å; H154-E207 PolarHBondContact CE1-OE1 3.04Å; H154-E207 IonicContact CE1-OE2 3.01Å; H154-E207 VanDerWaalsContact ND1-CD 3.35Å; H154-E207 IonicContact ND1-OE1 3.06Å; H154-E207 PolarHBondContact ND1-OE1 3.25Å; H154-E207 IonicContact ND1-OE2 2.8Å; E207-R261 WeakPolarHBondContact OE2-CD 3.33Å; E207-R261 IonicContact OE2-CZ 2.84Å; E207-R261 IonicContact OE2-NE 3.97Å; E207-R261 IonicContact OE2-NH1 3.55Å; E207-R261 PolarHBondContact OE2-NH1 3.07Å; E207-L262 CarbonylContact C-O 3.54Å; E207-L262 WeakPolarHBondContact CA-O 3.33Å; E207-Y263 HydrophobicContact CG-CD1 3.57Å; E207-Y263 HydrophobicContact CG-CE1 3.64Å
208	L	95.2	Very high	93.2	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	134.9	176	-55.7	95	0	0	0	110.3	L116 V150 F151 F152 W222 R261 L262 I264	L116-L208 HydrophobicContact CD1-CD2 3.71Å; L116-L208 HydrophobicContact CD2-CD2 4.24Å; V150-L208 HydrophobicContact CG1-CB 4Å; V150-L208 HydrophobicContact CG1-CD2 3.9Å; F151-L208 WeakPolarHBondContact O-CA 3.41Å; F152-L208 HydrophobicContact CD1-CD2 4.38Å; F152-L208 HydrophobicContact CD1-CG 4.08Å; F152-L208 HydrophobicContact CE1-CD2 3.74Å; F152-L208 HydrophobicContact CE1-CG 3.92Å; F152-L208 HydrophobicContact CZ-CD2 4.38Å; L208-W222 HydrophobicContact CD1-CH2 4.37Å; L208-R261 WeakPolarHBondContact O-CA 3.41Å; L208-L262 HydrophobicContact CB-CB 4.38Å; L208-L262 PolarHBondContact N-O 3.21Å; L208-L262 PolarHBondContact O-N 2.68Å; L208-I264 HydrophobicContact CD1-CD1 3.96Å; L208-I264 HydrophobicContact CD1-CG1 4.06Å
209	E	95.1	Very high	93.3	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.019	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	166.8	-179.4	-172.4	171.8	86.9	0	0	109.9	V150 F151 V153 A251 Y259 R261	V150-E209 CarbonylContact C-O 3.55Å; V150-E209 WeakPolarHBondContact CA-O 3.43Å; F151-E209 HydrophobicContact CD1-CB 4.35Å; F151-E209 WeakPolarHBondContact CD1-O 3.46Å; F151-E209 HydrophobicContact CE1-CB 3.72Å; F151-E209 HydrophobicContact CE1-CG 4.04Å; F151-E209 HydrophobicContact CZ-CB 4.27Å; F151-E209 PolarHBondContact N-O 3.49Å; F151-E209 PolarHBondContact O-N 3.45Å; V153-E209 HydrophobicContact CG2-CB 3.61Å; E209-A251 WeakPolarHBondContact OE2-CB 3.49Å; E209-Y259 HydrophobicContact CG-CD1 4.31Å; E209-R261 IonicContact OE1-NH2 3.05Å; E209-R261 PolarHBondContact OE1-NH2 3.29Å; E209-R261 IonicContact OE2-CZ 3.88Å; E209-R261 IonicContact OE2-NE 3.84Å; E209-R261 PolarHBondContact OE2-NE 3.46Å; E209-R261 IonicContact OE2-NH2 2.73Å; E209-R261 PolarHBondContact OE2-NH2 3.19Å
210	S	94	Very high	93.6	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.021	23%	0.226	C	C	.	.			trans	-90.4	138.5	167.1	170	0	0	0	0	110.6	D149 F151 Y213 Y259	D149-S210 VanDerWaalsContact CG-OG 3.24Å; D149-S210 VanDerWaalsContact O-CA 3.29Å; D149-S210 WeakPolarHBondContact O-CA 3.23Å; D149-S210 WeakPolarHBondContact O-CB 3.29Å; D149-S210 PolarHBondContact OD1-OG 3.46Å; D149-S210 PolarHBondContact OD2-OG 2.83Å; F151-S210 VanDerWaalsContact CE1-C 3.46Å; F151-S210 WeakPolarHBondContact CE1-O 3.49Å; S210-Y213 WeakPolarHBondContact OG-CB 3.32Å; S210-Y213 PolarHBondContact OG-N 3.32Å; S210-Y213 VanDerWaalsContact OG-N 3.09Å; S210-Y213 PolarHBondContact OG-O 2.83Å; S210-Y259 WeakPolarHBondContact O-CD1 3.34Å
211	Y	90.3	Very high	93.8	Very high	174 Å²	174	48.8 Å²	48.8	68%	0.682	24%	0.242	S	C	*	.	S	Bend	trans	-80.7	-42	-176.4	-174.9	-93.7	0	0	0	111.3	D149 F151	D149-Y211 WeakPolarHBondContact OD2-CA 3.42Å; D149-Y211 WeakPolarHBondContact OD2-CB 3.23Å; D149-Y211 PolarHBondContact OD2-N 3.13Å; F151-Y211 HydrophobicContact CD1-CD2 4.34Å; F151-Y211 HydrophobicContact CD2-CD2 4.39Å; F151-Y211 HydrophobicContact CE1-CD2 4.25Å; F151-Y211 HydrophobicContact CE2-CD2 4.27Å; F151-Y211 HydrophobicContact CG-CD2 4.43Å; F151-Y211 HydrophobicContact CZ-CD2 4.21Å
212	A	91.3	Very high	93.9	Very high	63 Å²	63	47 Å²	47	52%	0.521	23%	0.228	S	C	.	.	S	Bend	trans	-98.8	-33.2	-173.4	0	0	0	0	0	113.6	D149	D149-A212 PolarHBondContact OD2-N 3.08Å
213	Y	92.4	Very high	93.9	Very high	51 Å²	51	50.6 Å²	50.6	20%	0.2	24%	0.244	C	C	.	.			trans	-102.5	128.1	-171.1	-56.5	-71.3	0	0	0	112.1	R81 W146 D149 S210 D217 L218 Y259	R81-Y213 HydrophobicContact CB-CE1 4.48Å; W146-Y213 AromaticContact CZ2-CE2 3.88Å; W146-Y213 HydrophobicContact CZ2-CE2 3.88Å; W146-Y213 AromaticContact NE1-CZ 3.85Å; W146-Y213 PolarHBondContact NE1-OH 3.3Å; D149-Y213 WeakPolarHBondContact OD1-CD2 3.26Å; D149-Y213 WeakPolarHBondContact OD1-CE2 3.17Å; S210-Y213 WeakPolarHBondContact OG-CB 3.32Å; S210-Y213 PolarHBondContact OG-N 3.32Å; S210-Y213 VanDerWaalsContact OG-N 3.09Å; S210-Y213 PolarHBondContact OG-O 2.83Å; Y213-D217 HydrophobicContact CD1-CB 3.78Å; Y213-D217 HydrophobicContact CG-CB 4.19Å; Y213-L218 VanDerWaalsContact CB-CB 3.5Å; Y213-L218 HydrophobicContact CD2-CB 4.46Å; Y213-L218 HydrophobicContact CD2-CD1 3.7Å; Y213-L218 HydrophobicContact CE2-CD1 4.5Å; Y213-L218 HydrophobicContact CG-CB 4.18Å; Y213-L218 HydrophobicContact CG-CD1 4.26Å; Y213-Y259 WeakPolarHBondContact O-CD1 3.41Å; Y213-Y259 WeakPolarHBondContact O-CE1 3.31Å
214	N	93.3	Very high	93.9	Very high	38 Å²	38	47.2 Å²	47.2	20%	0.203	23%	0.233	C	C	.	.			trans	-81.6	-177	174	67.9	21.4	0	0	0	111.6	N216 D217 L218 W258 Y259	N214-N216 PolarHBondContact O-N 3.31Å; N214-N216 VanDerWaalsContact O-N 3.13Å; N214-N216 WeakPolarHBondContact OD1-CB 3.39Å; N214-N216 PolarHBondContact OD1-N 3.25Å; N214-D217 PolarHBondContact O-N 3.1Å; N214-D217 VanDerWaalsContact O-N 3.08Å; N214-D217 PolarHBondContact OD1-N 2.85Å; N214-L218 PolarHBondContact O-N 3.33Å; N214-W258 WeakPolarHBondContact CB-O 3.32Å; N214-Y259 HydrophobicContact CB-CD2 4.46Å; N214-Y259 HydrophobicContact CB-CE1 4.34Å; N214-Y259 HydrophobicContact CB-CE2 4.08Å
215	E	93.5	Very high	93.7	Very high	65 Å²	65	48.8 Å²	48.8	30%	0.304	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-25.8	-178.5	71.4	179.2	174.4	0	0	114.9	A88 W258	A88-E215 WeakPolarHBondContact CB-O 3.44Å; E215-W258 HydrophobicContact CB-CB 4.49Å; E215-W258 HydrophobicContact CG-CB 4.01Å; E215-W258 PolarHBondContact N-O 3.44Å; E215-W258 WeakPolarHBondContact OE2-CB 3.36Å
216	N	92.3	Very high	93.4	Very high	105 Å²	105	52.5 Å²	52.5	56%	0.561	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-23.5	-179.2	-62.3	-56.6	0	0	0	112.3	A88 N214	A88-N216 VanDerWaalsContact CA-O 3.24Å; A88-N216 WeakPolarHBondContact CA-O 3.49Å; A88-N216 WeakPolarHBondContact CB-O 3.34Å; A88-N216 PolarHBondContact N-O 3Å; N214-N216 PolarHBondContact O-N 3.31Å; N214-N216 VanDerWaalsContact O-N 3.13Å; N214-N216 WeakPolarHBondContact OD1-CB 3.39Å; N214-N216 PolarHBondContact OD1-N 3.25Å
217	D	92.8	Very high	93.1	Very high	48 Å²	48	58.2 Å²	58.2	26%	0.257	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-37.8	-177.9	-73.6	-45.7	0	0	0	112.6	R81 I89 Y213 N214	R81-D217 VanDerWaalsContact CZ-CA 3.48Å; R81-D217 IonicContact CZ-OD1 3.18Å; R81-D217 IonicContact NE-OD1 3.31Å; R81-D217 PolarHBondContact NE-OD1 3.07Å; R81-D217 VanDerWaalsContact NE-OD1 3.08Å; R81-D217 PolarHBondContact NH1-O 3.06Å; R81-D217 IonicContact NH2-OD1 3.51Å; R81-D217 PolarHBondContact NH2-OD1 3.4Å; I89-D217 PolarHBondContact N-O 3.06Å; Y213-D217 HydrophobicContact CD1-CB 3.78Å; Y213-D217 HydrophobicContact CG-CB 4.19Å; N214-D217 PolarHBondContact O-N 3.1Å; N214-D217 VanDerWaalsContact O-N 3.08Å; N214-D217 PolarHBondContact OD1-N 2.85Å
218	L	93.8	Very high	92.8	Very high	3 Å²	3	57.1 Å²	57.1	2%	0.016	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	124.1	-174.5	-163.9	157.6	0	0	0	111.3	V91 W146 P148 Y213 N214 L220 N260	V91-L218 HydrophobicContact CB-CD2 4.25Å; V91-L218 HydrophobicContact CG2-CD1 4.28Å; V91-L218 HydrophobicContact CG2-CD2 4.04Å; V91-L218 HydrophobicContact CG2-CG 3.97Å; W146-L218 HydrophobicContact CH2-CD1 4.37Å; P148-L218 HydrophobicContact CB-CD1 3.87Å; Y213-L218 VanDerWaalsContact CB-CB 3.5Å; Y213-L218 HydrophobicContact CD2-CB 4.46Å; Y213-L218 HydrophobicContact CD2-CD1 3.7Å; Y213-L218 HydrophobicContact CE2-CD1 4.5Å; Y213-L218 HydrophobicContact CG-CB 4.18Å; Y213-L218 HydrophobicContact CG-CD1 4.26Å; N214-L218 PolarHBondContact O-N 3.33Å; L218-L220 HydrophobicContact CD2-CD1 4.42Å; L218-L220 HydrophobicContact CD2-CD2 3.51Å; L218-L220 HydrophobicContact CD2-CG 3.48Å; L218-L220 VanDerWaalsContact CD2-CG 3.48Å; L218-N260 PolarHBondContact O-ND2 2.92Å
219	M	94.8	Very high	92.6	Very high	83 Å²	83	57.5 Å²	57.5	41%	0.409	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	102.7	177.5	-171.7	-177.3	73.7	0	0	110.6	A88 I89 P90 V91 Y221 N260	A88-M219 HydrophobicContact CB-CB 4.25Å; I89-M219 PolarHBondContact O-N 3.47Å; P90-M219 HydrophobicContact CB-CE 3.93Å; V91-M219 PolarHBondContact N-O 2.93Å; M219-Y221 HydrophobicContact CE-CD1 4.18Å; M219-N260 WeakPolarHBondContact CA-ND2 3.26Å
220	L	95.9	Very high	92.3	Very high	8 Å²	8	64.8 Å²	64.8	4%	0.042	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	131.3	172.8	-67.1	174.8	0	0	0	110.3	V91 I93 V150 L218 N260 L262	V91-L220 HydrophobicContact CB-CD2 4.08Å; V91-L220 HydrophobicContact CG1-CD2 4.12Å; I93-L220 HydrophobicContact CD1-CD2 3.93Å; I93-L220 HydrophobicContact CG1-CD2 4.04Å; V150-L220 HydrophobicContact CG2-CD2 4.01Å; L218-L220 HydrophobicContact CD2-CD1 4.42Å; L218-L220 HydrophobicContact CD2-CD2 3.51Å; L218-L220 HydrophobicContact CD2-CG 3.48Å; L218-L220 VanDerWaalsContact CD2-CG 3.48Å; L220-N260 HydrophobicContact CB-CB 4.08Å; L220-L262 HydrophobicContact CB-CD1 4.11Å; L220-L262 HydrophobicContact CB-CG 4.12Å
221	Y	95.9	Very high	91.8	Very high	87 Å²	87	66.5 Å²	66.5	34%	0.341	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	156.8	174.6	68.6	-80.6	0	0	0	111.8	P90 V91 G92 I93 M219 K223	P90-Y221 HydrophobicContact CB-CD1 4.45Å; P90-Y221 HydrophobicContact CB-CE1 3.7Å; V91-Y221 VanDerWaalsContact C-CE1 3.43Å; V91-Y221 WeakPolarHBondContact O-CD1 3.33Å; V91-Y221 PolarHBondContact O-N 3.3Å; V91-Y221 VanDerWaalsContact O-N 3.14Å; G92-Y221 CarbonylContact C-O 3.3Å; G92-Y221 WeakPolarHBondContact CA-O 3.47Å; I93-Y221 PolarHBondContact N-O 3.03Å; M219-Y221 HydrophobicContact CE-CD1 4.18Å; Y221-K223 PolarHBondContact O-N 2.84Å
222	W	96.4	Very high	91.3	Very high	22 Å²	22	63 Å²	63	8%	0.083	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	114	172.1	-66.1	114.3	0	0	0	110.4	I93 V95 L208 N224 G225 P246 S247 L262 Y263 I264	I93-W222 HydrophobicContact CB-CE3 4.28Å; I93-W222 HydrophobicContact CB-CZ3 4.31Å; I93-W222 HydrophobicContact CG2-CE3 4.27Å; I93-W222 HydrophobicContact CG2-CH2 4.5Å; I93-W222 HydrophobicContact CG2-CZ3 3.81Å; V95-W222 HydrophobicContact CB-CZ3 4.49Å; V95-W222 HydrophobicContact CG2-CH2 4.33Å; V95-W222 HydrophobicContact CG2-CZ3 3.99Å; L208-W222 HydrophobicContact CD1-CH2 4.37Å; W222-N224 VanDerWaalsContact C-N 3.32Å; W222-N224 PolarHBondContact O-N 2.71Å; W222-G225 PolarHBondContact O-N 3.05Å; W222-P246 HydrophobicContact CD2-CB 3.79Å; W222-P246 VanDerWaalsContact CE2-CB 3.47Å; W222-P246 HydrophobicContact CE3-CB 4.39Å; W222-P246 HydrophobicContact CG-CB 4.11Å; W222-P246 HydrophobicContact CH2-CB 4.43Å; W222-P246 HydrophobicContact CZ2-CB 3.83Å; W222-S247 PolarHBondContact NE1-O 2.96Å; W222-L262 HydrophobicContact CD2-CD1 4.19Å; W222-L262 HydrophobicContact CE3-CD1 4.43Å; W222-L262 HydrophobicContact CG-CD2 4.47Å; W222-L262 HydrophobicContact CH2-CB 4.3Å; W222-L262 HydrophobicContact CZ2-CB 3.63Å; W222-L262 HydrophobicContact CZ2-CD1 4.31Å; W222-L262 HydrophobicContact CZ2-CG 4.45Å; W222-Y263 WeakPolarHBondContact CZ2-O 3.37Å; W222-I264 HydrophobicContact CH2-CD1 3.88Å; W222-I264 HydrophobicContact CH2-CG1 3.54Å; W222-I264 HydrophobicContact CZ2-CG1 3.88Å
223	K	94	Very high	90.4	Very high	81 Å²	81	69.4 Å²	69.4	35%	0.352	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-45.4	-173.9	-179.5	175.4	176.4	175.2	0	114	I93 Y119 Y221 S228	I93-K223 PolarHBondContact O-N 3.23Å; Y119-K223 HydrophobicContact CD1-CD 4.21Å; Y119-K223 HydrophobicContact CD2-CD 3.36Å; Y119-K223 HydrophobicContact CE1-CD 4.37Å; Y119-K223 HydrophobicContact CE2-CD 3.57Å; Y119-K223 HydrophobicContact CG-CD 3.68Å; Y119-K223 VanDerWaalsContact CZ-NZ 3.34Å; Y221-K223 PolarHBondContact O-N 2.84Å; K223-S228 PolarHBondContact N-OG 3.36Å
224	N	92.6	Very high	89.8	Confident	89 Å²	89	68.4 Å²	68.4	48%	0.476	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.8	25.6	-177.7	-60.8	-28.3	0	0	0	111.4	W222 N226 D227 S228	W222-N224 VanDerWaalsContact C-N 3.32Å; W222-N224 PolarHBondContact O-N 2.71Å; N224-N226 PolarHBondContact O-N 2.76Å; N224-D227 HydrophobicContact CB-CB 3.99Å; N224-D227 PolarHBondContact O-N 3.39Å; N224-D227 VanDerWaalsContact O-N 3.12Å; N224-S228 PolarHBondContact N-OG 3.16Å
225	G	90.4	Very high	89	Confident	34 Å²	34	73 Å²	73	35%	0.351	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	57.4	-121.4	-176.1	0	0	0	0	0	111.8	W222 D227 S228	W222-G225 PolarHBondContact O-N 3.05Å; G225-D227 VanDerWaalsContact C-N 3.31Å; G225-D227 PolarHBondContact O-N 3.02Å; G225-S228 WeakPolarHBondContact O-CB 3.33Å; G225-S228 PolarHBondContact O-N 3.39Å
226	N	87.7	Confident	88.5	Confident	118 Å²	118	70.9 Å²	70.9	63%	0.631	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-66.2	-30.9	180	-69.5	40.8	0	0	0	113.2	N224 S228 L229 P246	N224-N226 PolarHBondContact O-N 2.76Å; N226-S228 PolarHBondContact O-N 2.96Å; N226-L229 PolarHBondContact O-N 3.27Å; N226-P246 HydrophobicContact CB-CG 4.47Å
227	D	88.3	Confident	87.7	Confident	122 Å²	122	71.1 Å²	71.1	65%	0.652	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-77.8	-6.1	-178.8	-65.4	-29.5	0	0	0	113.2	N224 G225 L229	N224-D227 HydrophobicContact CB-CB 3.99Å; N224-D227 PolarHBondContact O-N 3.39Å; N224-D227 VanDerWaalsContact O-N 3.12Å; G225-D227 VanDerWaalsContact C-N 3.31Å; G225-D227 PolarHBondContact O-N 3.02Å; D227-L229 PolarHBondContact O-N 3.49Å
228	S	89.7	Confident	87.2	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-68.3	-14.7	171.6	-89.3	0	0	0	0	113	I93 D94 V95 K223 N224 G225 N226	I93-S228 PolarHBondContact O-OG 3.02Å; D94-S228 CarbonylContact C-O 3.56Å; D94-S228 WeakPolarHBondContact OD1-CA 3.41Å; D94-S228 VanDerWaalsContact OD1-O 3.08Å; V95-S228 PolarHBondContact N-O 3.25Å; V95-S228 VanDerWaalsContact O-O 3.1Å; K223-S228 PolarHBondContact N-OG 3.36Å; N224-S228 PolarHBondContact N-OG 3.16Å; G225-S228 WeakPolarHBondContact O-CB 3.33Å; G225-S228 PolarHBondContact O-N 3.39Å; N226-S228 PolarHBondContact O-N 2.96Å
229	L	89.8	Confident	86.9	Confident	9 Å²	9	73.4 Å²	73.4	5%	0.047	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	106.4	179.2	-177.2	60.4	0	0	0	108.8	V95 V97 N226 D227 F244 P246 I264	V95-L229 HydrophobicContact CB-CD1 4.16Å; V95-L229 HydrophobicContact CG1-CD1 4.07Å; V95-L229 WeakPolarHBondContact O-CA 3.22Å; V97-L229 HydrophobicContact CG2-CD1 4.04Å; N226-L229 PolarHBondContact O-N 3.27Å; D227-L229 PolarHBondContact O-N 3.49Å; L229-F244 HydrophobicContact CD2-CD2 3.54Å; L229-F244 HydrophobicContact CD2-CE2 4.25Å; L229-F244 HydrophobicContact CG-CD2 3.78Å; L229-F244 HydrophobicContact CG-CE2 4.03Å; L229-P246 HydrophobicContact CB-CB 4.42Å; L229-P246 HydrophobicContact CB-CG 4.21Å; L229-P246 HydrophobicContact CD2-CB 4.45Å; L229-I264 HydrophobicContact CD1-CD1 4.24Å; L229-I264 HydrophobicContact CD1-CG2 3.81Å; L229-I264 HydrophobicContact CD2-CG2 3.59Å; L229-I264 HydrophobicContact CG-CG2 4.37Å
230	R	88.1	Confident	86.5	Confident	158 Å²	158	73 Å²	73	60%	0.596	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.2	139.3	-179.3	-58.6	-176	75.9	-178.3	3.1	110	V95 Q96 V97	V95-R230 PolarHBondContact O-N 3.37Å; Q96-R230 CarbonylContact C-O 3.59Å; Q96-R230 VanDerWaalsContact CA-O 3.26Å; Q96-R230 WeakPolarHBondContact CA-O 3.39Å; Q96-R230 HydrophobicContact CG-CB 4.48Å; V97-R230 PolarHBondContact N-O 2.8Å
231	T	83.9	Confident	86.2	Confident	39 Å²	39	74.4 Å²	74.4	24%	0.239	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	130.9	179	-109.9	0	0	0	0	106.5	V97 I234 F244	V97-T231 WeakPolarHBondContact CB-OG1 3.37Å; T231-I234 HydrophobicContact CG2-CD1 4.07Å; T231-I234 HydrophobicContact CG2-CG1 4.38Å; T231-I234 WeakPolarHBondContact OG1-CD1 3.39Å; T231-F244 HydrophobicContact CG2-CE1 3.82Å; T231-F244 HydrophobicContact CG2-CZ 3.89Å
232	D	79.4	Confident	85.7	Confident	99 Å²	99	75.1 Å²	75.1	53%	0.529	39%	0.39	S	S	.	.			trans	-77.6	176.3	165.7	-64.6	-45	0	0	0	108.8	Q96 I234	Q96-D232 PolarHBondContact NE2-OD2 3.05Å; D232-I234 VanDerWaalsContact C-N 3.33Å; D232-I234 WeakPolarHBondContact O-CG1 3.37Å; D232-I234 PolarHBondContact O-N 3.23Å
233	E	74.1	Confident	85.3	Confident	198 Å²	198	79.1 Å²	79.1	93%	0.925	41%	0.41	S	S	*	.			trans	-63.9	90.8	178.8	-72.7	-176.4	176.3	0	0	111.2
234	I	79.7	Confident	85	Confident	30 Å²	30	78.7 Å²	78.7	15%	0.154	41%	0.408	C	S	.	.			trans	-87.4	112.5	178.3	-58.3	167.4	0	0	0	108.1	V97 T231 D232 L236 I241	V97-I234 HydrophobicContact CB-CD1 3.99Å; V97-I234 HydrophobicContact CG1-CD1 3.56Å; T231-I234 HydrophobicContact CG2-CD1 4.07Å; T231-I234 HydrophobicContact CG2-CG1 4.38Å; T231-I234 WeakPolarHBondContact OG1-CD1 3.39Å; D232-I234 VanDerWaalsContact C-N 3.33Å; D232-I234 WeakPolarHBondContact O-CG1 3.37Å; D232-I234 PolarHBondContact O-N 3.23Å; I234-L236 HydrophobicContact CG2-CD1 3.8Å; I234-L236 HydrophobicContact CG2-CG 4.44Å; I234-I241 HydrophobicContact CB-CD1 4.2Å; I234-I241 HydrophobicContact CG2-CD1 4.36Å
235	V	76.6	Confident	84.9	Confident	135 Å²	135	77 Å²	77	82%	0.818	40%	0.397	S	S	*	.			trans	-99.4	118.6	172	-176.8	0	0	0	0	108.4
236	L	81.9	Confident	85.1	Confident	20 Å²	20	76.1 Å²	76.1	11%	0.105	39%	0.385	C	S	.	.			trans	-97.3	150.4	168.2	-59.5	86.1	0	0	0	109.3	I100 I103 I234 F239 I241	I100-L236 HydrophobicContact CB-CD2 3.78Å; I100-L236 HydrophobicContact CB-CG 4.25Å; I100-L236 HydrophobicContact CD1-CD1 4.31Å; I100-L236 HydrophobicContact CD1-CD2 4.22Å; I100-L236 HydrophobicContact CG2-CD2 3.69Å; I103-L236 HydrophobicContact CD1-CD2 3.51Å; I103-L236 HydrophobicContact CG1-CD2 4.41Å; I234-L236 HydrophobicContact CG2-CD1 3.8Å; I234-L236 HydrophobicContact CG2-CG 4.44Å; L236-F239 VanDerWaalsContact CB-O 3.31Å; L236-F239 WeakPolarHBondContact CB-O 3.45Å; L236-F239 HydrophobicContact CD2-CB 4.48Å; L236-I241 HydrophobicContact CD1-CD1 3.9Å; L236-I241 HydrophobicContact CD1-CG1 3.74Å
237	S	75.6	Confident	85.4	Confident	110 Å²	110	72.7 Å²	72.7	77%	0.769	37%	0.37	S	S	*	.	S	Bend	trans	-76.5	-34.3	-177.4	55.1	0	0	0	0	113.3
238	Q	82.4	Confident	85.7	Confident	97 Å²	97	75.6 Å²	75.6	45%	0.453	37%	0.373	S	S	.	.	S	Bend	trans	-108.2	-19.4	-173.2	-65.4	178.1	-68.3	0	0	113.7	H271	Q238-H271 PolarHBondContact O-N 3.1Å
239	F	87.7	Confident	85.9	Confident	3 Å²	3	76.7 Å²	76.7	1%	0.013	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	160.9	-177	-65.4	-92.4	0	0	0	110.1	I103 Q202 L236 L268 R269 R270	I103-F239 HydrophobicContact CB-CE2 4.2Å; I103-F239 HydrophobicContact CD1-CB 4.35Å; I103-F239 HydrophobicContact CD1-CD2 3.5Å; I103-F239 HydrophobicContact CD1-CE2 3.97Å; I103-F239 HydrophobicContact CD1-CG 4.01Å; I103-F239 HydrophobicContact CG2-CE2 3.97Å; I103-F239 HydrophobicContact CG2-CZ 4.34Å; Q202-F239 HydrophobicContact CG-CE1 4.44Å; L236-F239 VanDerWaalsContact CB-O 3.31Å; L236-F239 WeakPolarHBondContact CB-O 3.45Å; L236-F239 HydrophobicContact CD2-CB 4.48Å; F239-L268 HydrophobicContact CD1-CB 4.19Å; F239-R269 CarbonylContact C-O 3.58Å; F239-R269 VanDerWaalsContact CA-O 3.27Å; F239-R269 WeakPolarHBondContact CA-O 3.35Å; F239-R270 HydrophobicContact CD1-CB 4.08Å; F239-R270 HydrophobicContact CE1-CB 3.93Å; F239-R270 HydrophobicContact CE1-CG 4.25Å; F239-R270 VanDerWaalsContact CZ-CZ 3.44Å
240	F	87.4	Confident	86.1	Confident	74 Å²	74	80.5 Å²	80.5	33%	0.325	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	147.3	161	59.9	-86.6	0	0	0	108.9	E242 R269 H271	F240-E242 HydrophobicContact CE2-CB 4.42Å; F240-E242 PolarHBondContact O-N 3.5Å; F240-R269 HydrophobicContact CD1-CB 4.26Å; F240-R269 WeakPolarHBondContact CD1-O 3.35Å; F240-R269 HydrophobicContact CD2-CB 4.12Å; F240-R269 HydrophobicContact CE1-CB 3.75Å; F240-R269 HydrophobicContact CE1-CG 3.62Å; F240-R269 HydrophobicContact CE2-CB 3.6Å; F240-R269 HydrophobicContact CE2-CG 3.97Å; F240-R269 HydrophobicContact CG-CB 4.45Å; F240-R269 HydrophobicContact CZ-CB 3.43Å; F240-R269 VanDerWaalsContact CZ-CB 3.43Å; F240-R269 HydrophobicContact CZ-CG 3.3Å; F240-R269 PolarHBondContact N-O 3.43Å; F240-R269 PolarHBondContact O-N 2.98Å; F240-H271 AromaticContact CD1-CE1 3.71Å; F240-H271 AromaticContact CD1-NE2 3.99Å
241	I	88.6	Confident	86.3	Confident	38 Å²	38	73.5 Å²	73.5	20%	0.195	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	114	174.6	-53.5	173	0	0	0	106.3	I100 I234 L236 F244 L268	I100-I241 HydrophobicContact CD1-CD1 3.98Å; I100-I241 HydrophobicContact CD1-CG1 4.49Å; I234-I241 HydrophobicContact CB-CD1 4.2Å; I234-I241 HydrophobicContact CG2-CD1 4.36Å; L236-I241 HydrophobicContact CD1-CD1 3.9Å; L236-I241 HydrophobicContact CD1-CG1 3.74Å; I241-F244 HydrophobicContact CG2-CB 4.41Å; I241-F244 HydrophobicContact CG2-CD1 3.95Å; I241-L268 HydrophobicContact CG1-CD2 3.9Å
242	E	86.2	Confident	86.8	Confident	101 Å²	101	77 Å²	77	47%	0.472	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	-45.5	177.1	-175.8	163.5	-154.9	0	0	110.2	F240 I267 R269	F240-E242 HydrophobicContact CE2-CB 4.42Å; F240-E242 PolarHBondContact O-N 3.5Å; E242-I267 HydrophobicContact CB-CG2 4.2Å; E242-I267 PolarHBondContact N-O 3.16Å; E242-R269 IonicContact OE1-NH1 3.4Å
243	E	86.4	Confident	87.4	Confident	107 Å²	107	76.3 Å²	76.3	50%	0.5	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	150.2	178.8	-168.3	179.5	171.2	0	0	110.3	H245 I267	E243-H245 IonicContact OE1-ND1 3.92Å; E243-I267 HydrophobicContact CB-CB 4.31Å; E243-I267 HydrophobicContact CB-CD1 4.16Å; E243-I267 HydrophobicContact CB-CG1 4.41Å; E243-I267 PolarHBondContact O-N 2.82Å
244	F	88.4	Confident	88.2	Confident	71 Å²	71	72.6 Å²	72.6	31%	0.311	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	140.5	168.4	62.3	-87.6	0	0	0	109.7	L229 T231 I241 N265 F266	L229-F244 HydrophobicContact CD2-CD2 3.54Å; L229-F244 HydrophobicContact CD2-CE2 4.25Å; L229-F244 HydrophobicContact CG-CD2 3.78Å; L229-F244 HydrophobicContact CG-CE2 4.03Å; T231-F244 HydrophobicContact CG2-CE1 3.82Å; T231-F244 HydrophobicContact CG2-CZ 3.89Å; I241-F244 HydrophobicContact CG2-CB 4.41Å; I241-F244 HydrophobicContact CG2-CD1 3.95Å; F244-N265 WeakPolarHBondContact CA-O 3.37Å; F244-F266 HydrophobicContact CB-CD1 3.97Å; F244-F266 HydrophobicContact CB-CE1 4.3Å
245	H	91.3	Very high	88.7	Confident	55 Å²	55	76.4 Å²	76.4	26%	0.255	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	144.3	179.4	57.2	-95.1	0	0	0	112.1	E243 N265	E243-H245 IonicContact OE1-ND1 3.92Å; H245-N265 PolarHBondContact N-O 3.19Å; H245-N265 WeakPolarHBondContact NE2-CB 3.45Å; H245-N265 PolarHBondContact NE2-ND2 3.35Å; H245-N265 PolarHBondContact O-N 2.97Å
246	P	94.6	Very high	89.3	Confident	15 Å²	15	73.1 Å²	73.1	10%	0.097	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	146	169.6	31.9	-30.3	0	0	0	110.6	W222 N226 L229 Y263	W222-P246 HydrophobicContact CD2-CB 3.79Å; W222-P246 VanDerWaalsContact CE2-CB 3.47Å; W222-P246 HydrophobicContact CE3-CB 4.39Å; W222-P246 HydrophobicContact CG-CB 4.11Å; W222-P246 HydrophobicContact CH2-CB 4.43Å; W222-P246 HydrophobicContact CZ2-CB 3.83Å; N226-P246 HydrophobicContact CB-CG 4.47Å; L229-P246 HydrophobicContact CB-CB 4.42Å; L229-P246 HydrophobicContact CB-CG 4.21Å; L229-P246 HydrophobicContact CD2-CB 4.45Å; P246-Y263 CarbonylContact C-O 3.56Å; P246-Y263 WeakPolarHBondContact CA-O 3.32Å
247	S	94	Very high	89.9	Confident	45 Å²	45	73.3 Å²	73.3	32%	0.315	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	163.4	173.2	-179.1	0	0	0	0	109.9	W222 Y263	W222-S247 PolarHBondContact NE1-O 2.96Å; S247-Y263 PolarHBondContact N-O 3.21Å; S247-Y263 PolarHBondContact O-N 3.02Å
248	Y	94.4	Very high	90.8	Very high	184 Å²	184	73.5 Å²	73.5	72%	0.722	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.4	154.9	-179.3	70.4	-85.1	0	0	0	110.2
249	G	94.2	Very high	91.4	Very high	22 Å²	22	69.7 Å²	69.7	23%	0.227	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.8	-177.7	178.1	0	0	0	0	0	112.5	R261	G249-R261 PolarHBondContact N-O 2.92Å; G249-R261 PolarHBondContact O-N 3.01Å; G249-R261 VanDerWaalsContact O-O 3.09Å
250	L	93.8	Very high	91.7	Very high	90 Å²	90	71 Å²	71	47%	0.471	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	136.8	177	-73.8	165.8	0	0	0	109.4	W258 Y259 N260	L250-W258 HydrophobicContact CB-CE3 3.8Å; L250-W258 HydrophobicContact CB-CZ3 4.04Å; L250-Y259 CarbonylContact C-O 3.55Å; L250-Y259 WeakPolarHBondContact CA-O 3.46Å; L250-N260 WeakPolarHBondContact CD2-OD1 3.42Å
251	A	92.6	Very high	92.1	Very high	11 Å²	11	68.4 Å²	68.4	9%	0.091	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	131.1	173.8	0	0	0	0	0	109.9	E209 Y253 W258 Y259 R261	E209-A251 WeakPolarHBondContact OE2-CB 3.49Å; A251-Y253 HydrophobicContact CB-CE2 4.05Å; A251-W258 CarbonylContact O-C 3.51Å; A251-W258 WeakPolarHBondContact O-CA 3.24Å; A251-Y259 PolarHBondContact N-O 2.86Å; A251-Y259 PolarHBondContact O-N 3.12Å; A251-R261 VanDerWaalsContact CB-NH2 3.27Å
252	F	93.5	Very high	92.5	Very high	111 Å²	111	66.7 Å²	66.7	49%	0.487	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	127.8	177.8	-179.2	-105.3	0	0	0	111.1	W258	F252-W258 HydrophobicContact CB-CD2 3.97Å; F252-W258 HydrophobicContact CB-CE3 3.66Å; F252-W258 HydrophobicContact CB-CH2 3.85Å; F252-W258 HydrophobicContact CB-CZ2 4.1Å; F252-W258 HydrophobicContact CB-CZ3 3.63Å; F252-W258 AromaticContact CD2-CD1 3.94Å; F252-W258 AromaticContact CD2-CD2 3.71Å; F252-W258 HydrophobicContact CD2-CD2 3.71Å; F252-W258 AromaticContact CD2-CE2 3.51Å; F252-W258 HydrophobicContact CD2-CE3 4.31Å; F252-W258 AromaticContact CD2-CG 3.97Å; F252-W258 HydrophobicContact CD2-CG 3.97Å; F252-W258 AromaticContact CD2-CZ2 3.97Å; F252-W258 HydrophobicContact CD2-CZ2 3.97Å; F252-W258 AromaticContact CD2-NE1 3.62Å; F252-W258 HydrophobicContact CG-CD2 4.29Å; F252-W258 HydrophobicContact CG-CE3 4.46Å; F252-W258 HydrophobicContact CG-CH2 4.42Å; F252-W258 HydrophobicContact CG-CZ2 4.21Å
253	Y	91.8	Very high	92.9	Very high	86 Å²	86	64.5 Å²	64.5	34%	0.337	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	122.4	172.1	-67.2	-79.4	0	0	0	109.7	A251 S255 T256 G257 Y259 R261	A251-Y253 HydrophobicContact CB-CE2 4.05Å; Y253-S255 PolarHBondContact O-N 3.35Å; Y253-T256 WeakPolarHBondContact CB-OG1 3.24Å; Y253-T256 PolarHBondContact O-N 2.85Å; Y253-T256 VanDerWaalsContact O-N 3.15Å; Y253-G257 PolarHBondContact N-O 2.94Å; Y253-G257 PolarHBondContact O-N 3.31Å; Y253-Y259 AromaticContact CD2-CD2 3.72Å; Y253-Y259 HydrophobicContact CD2-CD2 3.72Å; Y253-Y259 HydrophobicContact CD2-CE2 4.14Å; Y253-Y259 HydrophobicContact CD2-CG 4.37Å; Y253-Y259 HydrophobicContact CE2-CD2 4.34Å; Y253-R261 PolarHBondContact OH-NH2 3.36Å
254	S	90.7	Very high	93.3	Very high	119 Å²	119	59.4 Å²	59.4	83%	0.832	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-25.2	-175.9	-53	0	0	0	0	114.4
255	S	91.5	Very high	93.5	Very high	110 Å²	110	58 Å²	58	77%	0.769	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-34	-179.7	49	0	0	0	0	114.5	Y253	Y253-S255 PolarHBondContact O-N 3.35Å
256	T	88.9	Confident	93.6	Very high	67 Å²	67	55.6 Å²	55.6	41%	0.411	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.9	-8.3	-164.6	48.1	0	0	0	0	114.1	Y253 Y259	Y253-T256 WeakPolarHBondContact CB-OG1 3.24Å; Y253-T256 PolarHBondContact O-N 2.85Å; Y253-T256 VanDerWaalsContact O-N 3.15Å; T256-Y259 VanDerWaalsContact CB-OH 3.28Å; T256-Y259 WeakPolarHBondContact CB-OH 3.35Å; T256-Y259 VanDerWaalsContact OG1-CE2 3.3Å; T256-Y259 WeakPolarHBondContact OG1-CE2 3.44Å; T256-Y259 PolarHBondContact OG1-OH 3.34Å
257	G	93.1	Very high	93.5	Very high	23 Å²	23	56.3 Å²	56.3	24%	0.237	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	95.3	-150.2	176.2	0	0	0	0	0	113.4	Y253	Y253-G257 PolarHBondContact N-O 2.94Å; Y253-G257 PolarHBondContact O-N 3.31Å
258	W	94.9	Very high	93.4	Very high	114 Å²	114	54.3 Å²	54.3	43%	0.432	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	139.9	-175.5	-68.3	101.2	0	0	0	112.2	N214 E215 L250 A251 F252	N214-W258 WeakPolarHBondContact CB-O 3.32Å; E215-W258 HydrophobicContact CB-CB 4.49Å; E215-W258 HydrophobicContact CG-CB 4.01Å; E215-W258 PolarHBondContact N-O 3.44Å; E215-W258 WeakPolarHBondContact OE2-CB 3.36Å; L250-W258 HydrophobicContact CB-CE3 3.8Å; L250-W258 HydrophobicContact CB-CZ3 4.04Å; A251-W258 CarbonylContact O-C 3.51Å; A251-W258 WeakPolarHBondContact O-CA 3.24Å; F252-W258 HydrophobicContact CB-CD2 3.97Å; F252-W258 HydrophobicContact CB-CE3 3.66Å; F252-W258 HydrophobicContact CB-CH2 3.85Å; F252-W258 HydrophobicContact CB-CZ2 4.1Å; F252-W258 HydrophobicContact CB-CZ3 3.63Å; F252-W258 AromaticContact CD2-CD1 3.94Å; F252-W258 AromaticContact CD2-CD2 3.71Å; F252-W258 HydrophobicContact CD2-CD2 3.71Å; F252-W258 AromaticContact CD2-CE2 3.51Å; F252-W258 HydrophobicContact CD2-CE3 4.31Å; F252-W258 AromaticContact CD2-CG 3.97Å; F252-W258 HydrophobicContact CD2-CG 3.97Å; F252-W258 AromaticContact CD2-CZ2 3.97Å; F252-W258 HydrophobicContact CD2-CZ2 3.97Å; F252-W258 AromaticContact CD2-NE1 3.62Å; F252-W258 HydrophobicContact CG-CD2 4.29Å; F252-W258 HydrophobicContact CG-CE3 4.46Å; F252-W258 HydrophobicContact CG-CH2 4.42Å; F252-W258 HydrophobicContact CG-CZ2 4.21Å
259	Y	95	Very high	93.3	Very high	18 Å²	18	50 Å²	50	7%	0.071	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	140.5	-179.6	-74.8	-106.8	0	0	0	110.4	E209 S210 Y213 N214 L250 A251 Y253 T256	E209-Y259 HydrophobicContact CG-CD1 4.31Å; S210-Y259 WeakPolarHBondContact O-CD1 3.34Å; Y213-Y259 WeakPolarHBondContact O-CD1 3.41Å; Y213-Y259 WeakPolarHBondContact O-CE1 3.31Å; N214-Y259 HydrophobicContact CB-CD2 4.46Å; N214-Y259 HydrophobicContact CB-CE1 4.34Å; N214-Y259 HydrophobicContact CB-CE2 4.08Å; L250-Y259 CarbonylContact C-O 3.55Å; L250-Y259 WeakPolarHBondContact CA-O 3.46Å; A251-Y259 PolarHBondContact N-O 2.86Å; A251-Y259 PolarHBondContact O-N 3.12Å; Y253-Y259 AromaticContact CD2-CD2 3.72Å; Y253-Y259 HydrophobicContact CD2-CD2 3.72Å; Y253-Y259 HydrophobicContact CD2-CE2 4.14Å; Y253-Y259 HydrophobicContact CD2-CG 4.37Å; Y253-Y259 HydrophobicContact CE2-CD2 4.34Å; T256-Y259 VanDerWaalsContact CB-OH 3.28Å; T256-Y259 WeakPolarHBondContact CB-OH 3.35Å; T256-Y259 VanDerWaalsContact OG1-CE2 3.3Å; T256-Y259 WeakPolarHBondContact OG1-CE2 3.44Å; T256-Y259 PolarHBondContact OG1-OH 3.34Å
260	N	94.7	Very high	93.2	Very high	30 Å²	30	49.3 Å²	49.3	16%	0.16	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	124.7	173	-70.9	-64	0	0	0	109.9	L218 M219 L220 L250	L218-N260 PolarHBondContact O-ND2 2.92Å; M219-N260 WeakPolarHBondContact CA-ND2 3.26Å; L220-N260 HydrophobicContact CB-CB 4.08Å; L250-N260 WeakPolarHBondContact CD2-OD1 3.42Å
261	R	95.8	Very high	93	Very high	20 Å²	20	49 Å²	49	8%	0.075	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	135.9	179.7	-170.6	172.4	-67.3	-176.7	6.5	111.3	E207 L208 E209 G249 A251 Y253 Y263	E207-R261 WeakPolarHBondContact OE2-CD 3.33Å; E207-R261 IonicContact OE2-CZ 2.84Å; E207-R261 IonicContact OE2-NE 3.97Å; E207-R261 IonicContact OE2-NH1 3.55Å; E207-R261 PolarHBondContact OE2-NH1 3.07Å; L208-R261 WeakPolarHBondContact O-CA 3.41Å; E209-R261 IonicContact OE1-NH2 3.05Å; E209-R261 PolarHBondContact OE1-NH2 3.29Å; E209-R261 IonicContact OE2-CZ 3.88Å; E209-R261 IonicContact OE2-NE 3.84Å; E209-R261 PolarHBondContact OE2-NE 3.46Å; E209-R261 IonicContact OE2-NH2 2.73Å; E209-R261 PolarHBondContact OE2-NH2 3.19Å; G249-R261 PolarHBondContact N-O 2.92Å; G249-R261 PolarHBondContact O-N 3.01Å; G249-R261 VanDerWaalsContact O-O 3.09Å; A251-R261 VanDerWaalsContact CB-NH2 3.27Å; Y253-R261 PolarHBondContact OH-NH2 3.36Å; R261-Y263 HydrophobicContact CB-CE2 4.14Å; R261-Y263 VanDerWaalsContact CD-CZ 3.47Å; R261-Y263 WeakPolarHBondContact CD-OH 3.4Å; R261-Y263 HydrophobicContact CG-CD2 4.48Å; R261-Y263 HydrophobicContact CG-CE1 4.31Å; R261-Y263 HydrophobicContact CG-CE2 3.91Å
262	L	95.9	Very high	92.9	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	142.1	174	-57.5	-177.6	0	0	0	109.9	I93 E207 L208 L220 W222	I93-L262 HydrophobicContact CB-CD1 3.7Å; I93-L262 HydrophobicContact CG1-CD1 3.51Å; I93-L262 HydrophobicContact CG2-CD1 4.24Å; E207-L262 CarbonylContact C-O 3.54Å; E207-L262 WeakPolarHBondContact CA-O 3.33Å; L208-L262 HydrophobicContact CB-CB 4.38Å; L208-L262 PolarHBondContact N-O 3.21Å; L208-L262 PolarHBondContact O-N 2.68Å; L220-L262 HydrophobicContact CB-CD1 4.11Å; L220-L262 HydrophobicContact CB-CG 4.12Å; W222-L262 HydrophobicContact CD2-CD1 4.19Å; W222-L262 HydrophobicContact CE3-CD1 4.43Å; W222-L262 HydrophobicContact CG-CD2 4.47Å; W222-L262 HydrophobicContact CH2-CB 4.3Å; W222-L262 HydrophobicContact CZ2-CB 3.63Å; W222-L262 HydrophobicContact CZ2-CD1 4.31Å; W222-L262 HydrophobicContact CZ2-CG 4.45Å
263	Y	95.3	Very high	92.7	Very high	56 Å²	56	51.5 Å²	51.5	22%	0.22	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	137.5	-176.8	-60.7	-93.4	0	0	0	110	L206 E207 W222 P246 S247 R261	L206-Y263 CarbonylContact O-C 3.47Å; L206-Y263 WeakPolarHBondContact O-CA 3.05Å; E207-Y263 HydrophobicContact CG-CD1 3.57Å; E207-Y263 HydrophobicContact CG-CE1 3.64Å; W222-Y263 WeakPolarHBondContact CZ2-O 3.37Å; P246-Y263 CarbonylContact C-O 3.56Å; P246-Y263 WeakPolarHBondContact CA-O 3.32Å; S247-Y263 PolarHBondContact N-O 3.21Å; S247-Y263 PolarHBondContact O-N 3.02Å; R261-Y263 HydrophobicContact CB-CE2 4.14Å; R261-Y263 VanDerWaalsContact CD-CZ 3.47Å; R261-Y263 WeakPolarHBondContact CD-OH 3.4Å; R261-Y263 HydrophobicContact CG-CD2 4.48Å; R261-Y263 HydrophobicContact CG-CE1 4.31Å; R261-Y263 HydrophobicContact CG-CE2 3.91Å
264	I	94.3	Very high	92.6	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	108.1	169	-52.8	179.9	0	0	0	106.8	V95 S205 L206 L208 W222 L229 F266	V95-I264 HydrophobicContact CB-CD1 4.13Å; V95-I264 HydrophobicContact CG1-CD1 3.87Å; V95-I264 HydrophobicContact CG2-CD1 4.01Å; S205-I264 CarbonylContact C-O 3.6Å; S205-I264 VanDerWaalsContact CA-O 3.29Å; S205-I264 WeakPolarHBondContact CA-O 3.42Å; L206-I264 HydrophobicContact CB-CB 4.2Å; L206-I264 HydrophobicContact CD2-CD1 4.28Å; L206-I264 PolarHBondContact N-O 2.9Å; L206-I264 PolarHBondContact O-N 3.35Å; L208-I264 HydrophobicContact CD1-CD1 3.96Å; L208-I264 HydrophobicContact CD1-CG1 4.06Å; W222-I264 HydrophobicContact CH2-CD1 3.88Å; W222-I264 HydrophobicContact CH2-CG1 3.54Å; W222-I264 HydrophobicContact CZ2-CG1 3.88Å; L229-I264 HydrophobicContact CD1-CD1 4.24Å; L229-I264 HydrophobicContact CD1-CG2 3.81Å; L229-I264 HydrophobicContact CD2-CG2 3.59Å; L229-I264 HydrophobicContact CG-CG2 4.37Å; I264-F266 HydrophobicContact CB-CE2 4.02Å; I264-F266 HydrophobicContact CB-CZ 4.39Å; I264-F266 HydrophobicContact CG2-CD2 4.24Å; I264-F266 HydrophobicContact CG2-CE1 4.16Å; I264-F266 HydrophobicContact CG2-CE2 3.35Å; I264-F266 HydrophobicContact CG2-CZ 3.32Å
265	N	93.6	Very high	92.6	Very high	41 Å²	41	48.8 Å²	48.8	22%	0.219	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	131.1	-177.9	-62.8	-40.5	0	0	0	110.1	S205 F244 H245	S205-N265 WeakPolarHBondContact CB-OD1 3.26Å; F244-N265 WeakPolarHBondContact CA-O 3.37Å; H245-N265 PolarHBondContact N-O 3.19Å; H245-N265 WeakPolarHBondContact NE2-CB 3.45Å; H245-N265 PolarHBondContact NE2-ND2 3.35Å; H245-N265 PolarHBondContact O-N 2.97Å
266	F	92.3	Very high	92.6	Very high	4 Å²	4	46 Å²	46	2%	0.018	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	125.6	175.4	-59.4	-86.6	0	0	0	109.3	V97 M112 K203 C204 F244 I264 L268	V97-F266 HydrophobicContact CG2-CE1 4.38Å; V97-F266 HydrophobicContact CG2-CZ 4.24Å; M112-F266 HydrophobicContact CE-CD2 3.92Å; M112-F266 HydrophobicContact CE-CE1 4.14Å; M112-F266 HydrophobicContact CE-CE2 3.23Å; M112-F266 HydrophobicContact CE-CZ 3.34Å; M112-F266 HydrophobicContact SD-CE2 4.22Å; M112-F266 HydrophobicContact SD-CZ 4.12Å; K203-F266 WeakPolarHBondContact CA-O 3.13Å; C204-F266 PolarHBondContact N-O 3.36Å; C204-F266 PolarHBondContact O-N 2.94Å; F244-F266 HydrophobicContact CB-CD1 3.97Å; F244-F266 HydrophobicContact CB-CE1 4.3Å; I264-F266 HydrophobicContact CB-CE2 4.02Å; I264-F266 HydrophobicContact CB-CZ 4.39Å; I264-F266 HydrophobicContact CG2-CD2 4.24Å; I264-F266 HydrophobicContact CG2-CE1 4.16Å; I264-F266 HydrophobicContact CG2-CE2 3.35Å; I264-F266 HydrophobicContact CG2-CZ 3.32Å; F266-L268 HydrophobicContact CB-CG 4.31Å
267	I	93.3	Very high	92.7	Very high	30 Å²	30	47 Å²	47	15%	0.154	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	107.9	170.2	-54.1	-173.4	0	0	0	107.1	T201 Q202 E242 E243	T201-I267 HydrophobicContact CG2-CG2 3.46Å; T201-I267 VanDerWaalsContact CG2-CG2 3.46Å; Q202-I267 WeakPolarHBondContact O-CA 3.12Å; E242-I267 HydrophobicContact CB-CG2 4.2Å; E242-I267 PolarHBondContact N-O 3.16Å; E243-I267 HydrophobicContact CB-CB 4.31Å; E243-I267 HydrophobicContact CB-CD1 4.16Å; E243-I267 HydrophobicContact CB-CG1 4.41Å; E243-I267 PolarHBondContact O-N 2.82Å
268	L	91.9	Very high	92.5	Very high	3 Å²	3	51.4 Å²	51.4	2%	0.016	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	127.5	-175.7	-60.8	170.3	0	0	0	109.1	I100 I103 T201 Q202 F239 I241 F266	I100-L268 HydrophobicContact CD1-CD2 4.45Å; I103-L268 HydrophobicContact CD1-CD1 3.89Å; T201-L268 CarbonylContact C-O 3.59Å; T201-L268 WeakPolarHBondContact CA-O 3.41Å; Q202-L268 HydrophobicContact CB-CB 4.36Å; Q202-L268 PolarHBondContact N-O 3.18Å; Q202-L268 PolarHBondContact O-N 3.19Å; F239-L268 HydrophobicContact CD1-CB 4.19Å; I241-L268 HydrophobicContact CG1-CD2 3.9Å; F266-L268 HydrophobicContact CB-CG 4.31Å
269	R	92.2	Very high	92.4	Very high	93 Å²	93	46.4 Å²	46.4	35%	0.351	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	135.9	177.4	-175.2	164.6	172	-176.2	10.9	110.9	F239 F240 E242	F239-R269 CarbonylContact C-O 3.58Å; F239-R269 VanDerWaalsContact CA-O 3.27Å; F239-R269 WeakPolarHBondContact CA-O 3.35Å; F240-R269 HydrophobicContact CD1-CB 4.26Å; F240-R269 WeakPolarHBondContact CD1-O 3.35Å; F240-R269 HydrophobicContact CD2-CB 4.12Å; F240-R269 HydrophobicContact CE1-CB 3.75Å; F240-R269 HydrophobicContact CE1-CG 3.62Å; F240-R269 HydrophobicContact CE2-CB 3.6Å; F240-R269 HydrophobicContact CE2-CG 3.97Å; F240-R269 HydrophobicContact CG-CB 4.45Å; F240-R269 HydrophobicContact CZ-CB 3.43Å; F240-R269 VanDerWaalsContact CZ-CB 3.43Å; F240-R269 HydrophobicContact CZ-CG 3.3Å; F240-R269 PolarHBondContact N-O 3.43Å; F240-R269 PolarHBondContact O-N 2.98Å; E242-R269 IonicContact OE1-NH1 3.4Å
270	R	91.9	Very high	92.3	Very high	9 Å²	9	45.8 Å²	45.8	3%	0.034	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	143.7	-171.2	-172	179.2	-61	-88.7	9.1	113	E105 P198 D200 F239 I272 F275	E105-R270 IonicContact OE1-CZ 3.04Å; E105-R270 IonicContact OE1-NH1 2.68Å; E105-R270 PolarHBondContact OE1-NH1 3.28Å; E105-R270 IonicContact OE1-NH2 3.82Å; E105-R270 PolarHBondContact OE1-NH2 2.7Å; E105-R270 IonicContact OE2-CZ 3.7Å; E105-R270 IonicContact OE2-NH1 3.21Å; E105-R270 PolarHBondContact OE2-NH1 3.46Å; E105-R270 IonicContact OE2-NH2 3.52Å; E105-R270 PolarHBondContact OE2-NH2 3.12Å; P198-R270 WeakPolarHBondContact O-CD 3.23Å; D200-R270 WeakPolarHBondContact OD1-CD 3.45Å; D200-R270 IonicContact OD1-CZ 2.74Å; D200-R270 IonicContact OD1-NE 2.72Å; D200-R270 PolarHBondContact OD1-NE 2.96Å; D200-R270 IonicContact OD1-NH2 3.11Å; D200-R270 IonicContact OD2-CZ 2.7Å; D200-R270 IonicContact OD2-NE 2.83Å; D200-R270 PolarHBondContact OD2-NE 2.91Å; D200-R270 IonicContact OD2-NH2 3.08Å; D200-R270 PolarHBondContact OD2-NH2 3.48Å; F239-R270 HydrophobicContact CD1-CB 4.08Å; F239-R270 HydrophobicContact CE1-CB 3.93Å; F239-R270 HydrophobicContact CE1-CG 4.25Å; F239-R270 VanDerWaalsContact CZ-CZ 3.44Å; R270-I272 PolarHBondContact O-N 2.94Å; R270-F275 HydrophobicContact CG-CE2 4.15Å
271	H	90.6	Very high	92.3	Very high	84 Å²	84	47.9 Å²	47.9	39%	0.389	22%	0.218	S	C	.	.			trans	-76.3	106.9	167.7	-76.8	-63.7	0	0	0	111.6	Q238 F240 F273	Q238-H271 PolarHBondContact O-N 3.1Å; F240-H271 AromaticContact CD1-CE1 3.71Å; F240-H271 AromaticContact CD1-NE2 3.99Å; H271-F273 PolarHBondContact O-N 3.37Å
272	I	90.3	Very high	92.2	Very high	43 Å²	43	48.9 Å²	48.9	22%	0.221	23%	0.227	C	C	.	.			trans	-72.9	-23.5	-176.1	-169.5	64.1	0	0	0	114.6	P198 L199 R270 F274 F275 M276	P198-I272 HydrophobicContact CB-CD1 3.72Å; P198-I272 HydrophobicContact CG-CD1 3.56Å; L199-I272 HydrophobicContact CD2-CB 4.3Å; L199-I272 HydrophobicContact CD2-CD1 3.73Å; L199-I272 HydrophobicContact CD2-CG1 3.76Å; L199-I272 HydrophobicContact CG-CD1 3.81Å; L199-I272 HydrophobicContact CG-CG1 4.39Å; R270-I272 PolarHBondContact O-N 2.94Å; I272-F274 VanDerWaalsContact C-N 3.33Å; I272-F274 PolarHBondContact O-N 2.97Å; I272-F275 PolarHBondContact O-N 3.45Å; I272-F275 VanDerWaalsContact O-N 3.13Å; I272-M276 HydrophobicContact CG1-CG 4.07Å; I272-M276 HydrophobicContact CG1-SD 4.48Å; I272-M276 PolarHBondContact O-N 3.4Å; I272-M276 VanDerWaalsContact O-N 3.08Å
273	F	89.5	Confident	92.2	Very high	131 Å²	131	48.8 Å²	48.8	58%	0.575	23%	0.227	S	C	*	.	H	α-helix	trans	-58.4	-41.4	-167.1	-179.9	-101.1	0	0	0	113.7	H271 M276 L277	H271-F273 PolarHBondContact O-N 3.37Å; F273-M276 WeakPolarHBondContact O-CB 3.34Å; F273-M276 PolarHBondContact O-N 3.44Å; F273-L277 HydrophobicContact CD1-CD1 4.28Å; F273-L277 HydrophobicContact CE1-CD1 3.52Å; F273-L277 HydrophobicContact CE1-CG 4.47Å; F273-L277 HydrophobicContact CE2-CD1 4.25Å; F273-L277 HydrophobicContact CZ-CD1 3.5Å; F273-L277 HydrophobicContact CZ-CG 4.3Å; F273-L277 PolarHBondContact O-N 3.02Å
274	F	89.7	Confident	92.1	Very high	122 Å²	122	48.6 Å²	48.6	54%	0.535	23%	0.228	S	C	.	.	H	α-helix	trans	-61.4	-46.2	178.3	175.7	-103.1	0	0	0	112	I272 M276 L277 Q278	I272-F274 VanDerWaalsContact C-N 3.33Å; I272-F274 PolarHBondContact O-N 2.97Å; F274-M276 VanDerWaalsContact C-N 3.29Å; F274-M276 PolarHBondContact O-N 3.38Å; F274-L277 PolarHBondContact O-N 2.83Å; F274-Q278 WeakPolarHBondContact O-CB 3.43Å; F274-Q278 PolarHBondContact O-N 3.26Å
275	F	90.8	Very high	92.1	Very high	26 Å²	26	51.9 Å²	51.9	11%	0.114	25%	0.245	C	C	.	.	H	α-helix	trans	-65.9	-31.3	178.2	-62.1	-77.3	0	0	0	112.6	F197 P198 R270 I272 T279 Y280	F197-F275 HydrophobicContact CE1-CD1 4.22Å; F197-F275 HydrophobicContact CE1-CE1 4.11Å; F197-F275 HydrophobicContact CE2-CE1 4.37Å; F197-F275 HydrophobicContact CE2-CZ 4.19Å; F197-F275 AromaticContact CZ-CD1 3.95Å; F197-F275 HydrophobicContact CZ-CD1 3.95Å; F197-F275 AromaticContact CZ-CE1 3.42Å; F197-F275 HydrophobicContact CZ-CE1 3.42Å; F197-F275 VanDerWaalsContact CZ-CE1 3.42Å; F197-F275 HydrophobicContact CZ-CE2 4.41Å; F197-F275 AromaticContact CZ-CZ 3.67Å; F197-F275 HydrophobicContact CZ-CZ 3.67Å; P198-F275 HydrophobicContact CB-CB 4.1Å; P198-F275 HydrophobicContact CB-CD1 4.31Å; P198-F275 HydrophobicContact CB-CD2 3.72Å; P198-F275 HydrophobicContact CB-CE2 4.24Å; P198-F275 HydrophobicContact CB-CG 3.76Å; P198-F275 HydrophobicContact CG-CB 3.75Å; P198-F275 HydrophobicContact CG-CD1 4.41Å; P198-F275 HydrophobicContact CG-CD2 4.34Å; P198-F275 HydrophobicContact CG-CG 3.9Å; R270-F275 HydrophobicContact CG-CE2 4.15Å; I272-F275 PolarHBondContact O-N 3.45Å; I272-F275 VanDerWaalsContact O-N 3.13Å; F275-T279 WeakPolarHBondContact O-CA 3.35Å; F275-T279 VanDerWaalsContact O-CB 3.32Å; F275-T279 WeakPolarHBondContact O-CB 3.45Å; F275-T279 PolarHBondContact O-N 3.48Å; F275-Y280 PolarHBondContact O-N 3.18Å
276	M	91	Very high	92	Very high	52 Å²	52	51 Å²	51	26%	0.256	24%	0.24	S	C	.	.	I	π-helix	trans	-60.6	-47.3	173.6	-70.1	-63.4	-73	0	0	111.9	I272 F273 F274 Y280 F281 W471	I272-M276 HydrophobicContact CG1-CG 4.07Å; I272-M276 HydrophobicContact CG1-SD 4.48Å; I272-M276 PolarHBondContact O-N 3.4Å; I272-M276 VanDerWaalsContact O-N 3.08Å; F273-M276 WeakPolarHBondContact O-CB 3.34Å; F273-M276 PolarHBondContact O-N 3.44Å; F274-M276 VanDerWaalsContact C-N 3.29Å; F274-M276 PolarHBondContact O-N 3.38Å; M276-Y280 PolarHBondContact O-N 2.77Å; M276-Y280 HydrophobicContact SD-CD2 3.74Å; M276-Y280 HydrophobicContact SD-CE2 4.37Å; M276-Y280 HydrophobicContact SD-CG 4.04Å; M276-F281 VanDerWaalsContact O-CB 3.31Å; M276-F281 WeakPolarHBondContact O-CB 3.34Å; M276-F281 PolarHBondContact O-N 2.84Å; M276-W471 HydrophobicContact CE-CH2 3.83Å; M276-W471 HydrophobicContact CE-CZ2 3.92Å; M276-W471 HydrophobicContact SD-CH2 3.35Å; M276-W471 WeakPolarHBondContact SD-CH2 3.14Å; M276-W471 HydrophobicContact SD-CZ2 3.93Å; M276-W471 HydrophobicContact SD-CZ3 4.26Å
277	L	91.3	Very high	92.1	Very high	87 Å²	87	50.8 Å²	50.8	46%	0.455	24%	0.24	S	C	.	.	I	π-helix	trans	-78.1	-33.9	-176.6	-68.4	179.1	0	0	0	113.3	F273 F274 P282	F273-L277 HydrophobicContact CD1-CD1 4.28Å; F273-L277 HydrophobicContact CE1-CD1 3.52Å; F273-L277 HydrophobicContact CE1-CG 4.47Å; F273-L277 HydrophobicContact CE2-CD1 4.25Å; F273-L277 HydrophobicContact CZ-CD1 3.5Å; F273-L277 HydrophobicContact CZ-CG 4.3Å; F273-L277 PolarHBondContact O-N 3.02Å; F274-L277 PolarHBondContact O-N 2.83Å; L277-P282 VanDerWaalsContact O-CD 3.25Å; L277-P282 WeakPolarHBondContact O-CD 3.49Å
278	Q	89.2	Confident	92.1	Very high	116 Å²	116	53 Å²	53	54%	0.542	25%	0.25	S	S	.	.	I	π-helix	trans	-90.5	-31.5	-175.4	-162.5	-175.5	15.8	0	0	113.3	F274 P282	F274-Q278 WeakPolarHBondContact O-CB 3.43Å; F274-Q278 PolarHBondContact O-N 3.26Å; Q278-P282 WeakPolarHBondContact O-CG 3.49Å
279	T	91.9	Very high	92.1	Very high	9 Å²	9	56.9 Å²	56.9	6%	0.055	27%	0.27	C	S	.	.	I	π-helix	trans	-112	-58.5	-174.7	-54	0	0	0	0	111.8	F275 T283 V322 V335 L339	F275-T279 WeakPolarHBondContact O-CA 3.35Å; F275-T279 VanDerWaalsContact O-CB 3.32Å; F275-T279 WeakPolarHBondContact O-CB 3.45Å; F275-T279 PolarHBondContact O-N 3.48Å; T279-T283 WeakPolarHBondContact O-CB 3.4Å; T279-T283 WeakPolarHBondContact O-CG2 3.47Å; T279-T283 PolarHBondContact O-N 2.69Å; T279-T283 PolarHBondContact O-OG1 2.73Å; T279-V322 HydrophobicContact CG2-CG2 3.69Å; T279-V335 HydrophobicContact CG2-CG2 3.96Å; T279-L339 HydrophobicContact CG2-CD2 4.15Å
280	Y	93.3	Very high	92.1	Very high	4 Å²	4	52.5 Å²	52.5	2%	0.016	25%	0.254	C	S	.	.	I	π-helix	trans	-70.9	-40.9	-173.4	-71.2	-84.2	0	0	0	113.6	P198 F275 M276 T283 M284 Y338 Y470 W471	P198-Y280 WeakPolarHBondContact CD-OH 3.36Å; P198-Y280 HydrophobicContact CG-CE2 3.98Å; F275-Y280 PolarHBondContact O-N 3.18Å; M276-Y280 PolarHBondContact O-N 2.77Å; M276-Y280 HydrophobicContact SD-CD2 3.74Å; M276-Y280 HydrophobicContact SD-CE2 4.37Å; M276-Y280 HydrophobicContact SD-CG 4.04Å; Y280-T283 VanDerWaalsContact C-OG1 3.3Å; Y280-T283 WeakPolarHBondContact CA-OG1 3.27Å; Y280-T283 PolarHBondContact O-OG1 2.75Å; Y280-M284 WeakPolarHBondContact O-CB 3.43Å; Y280-M284 VanDerWaalsContact O-CG 3.23Å; Y280-M284 WeakPolarHBondContact O-CG 3.5Å; Y280-M284 PolarHBondContact O-N 3.05Å; Y280-Y338 AromaticContact CD1-CD1 3.72Å; Y280-Y338 HydrophobicContact CD1-CD1 3.72Å; Y280-Y338 HydrophobicContact CD1-CD2 4.12Å; Y280-Y338 AromaticContact CD1-CE1 3.64Å; Y280-Y338 HydrophobicContact CD1-CE1 3.64Å; Y280-Y338 HydrophobicContact CD1-CE2 4.03Å; Y280-Y338 AromaticContact CD1-CG 3.96Å; Y280-Y338 HydrophobicContact CD1-CG 3.96Å; Y280-Y338 AromaticContact CD1-CZ 3.79Å; Y280-Y338 AromaticContact CE1-CD1 3.8Å; Y280-Y338 HydrophobicContact CE1-CD1 3.8Å; Y280-Y338 AromaticContact CE1-CD2 3.87Å; Y280-Y338 HydrophobicContact CE1-CD2 3.87Å; Y280-Y338 HydrophobicContact CE1-CE1 4.19Å; Y280-Y338 HydrophobicContact CE1-CE2 4.23Å; Y280-Y338 AromaticContact CE1-CG 3.63Å; Y280-Y338 HydrophobicContact CE1-CG 3.63Å; Y280-Y470 AromaticContact CE1-CE1 3.73Å; Y280-Y470 HydrophobicContact CE1-CE1 3.73Å; Y280-Y470 PolarHBondContact OH-OH 2.74Å; Y280-W471 HydrophobicContact CD1-CH2 4.18Å; Y280-W471 AromaticContact CD1-CZ2 3.82Å; Y280-W471 HydrophobicContact CD1-CZ2 3.82Å; Y280-W471 HydrophobicContact CD2-CH2 4.45Å; Y280-W471 HydrophobicContact CE1-CH2 4.06Å; Y280-W471 AromaticContact CE1-CZ2 3.97Å; Y280-W471 HydrophobicContact CE1-CZ2 3.97Å; Y280-W471 HydrophobicContact CE2-CH2 4.33Å; Y280-W471 HydrophobicContact CG-CH2 4.37Å; Y280-W471 HydrophobicContact CG-CZ2 4.23Å
281	F	93.9	Very high	91.9	Very high	74 Å²	74	53.8 Å²	53.8	33%	0.325	26%	0.259	S	S	.	.	H	α-helix	trans	-68.5	-47.3	-178.2	177.7	-102.6	0	0	0	113	M11 M276 T283 M284 L285	M11-F281 HydrophobicContact CG-CE2 4.43Å; M11-F281 HydrophobicContact SD-CD2 3.41Å; M11-F281 WeakPolarHBondContact SD-CD2 3.43Å; M11-F281 HydrophobicContact SD-CE2 3.78Å; M11-F281 HydrophobicContact SD-CG 4.38Å; M276-F281 VanDerWaalsContact O-CB 3.31Å; M276-F281 WeakPolarHBondContact O-CB 3.34Å; M276-F281 PolarHBondContact O-N 2.84Å; F281-T283 VanDerWaalsContact C-N 3.34Å; F281-T283 PolarHBondContact O-N 3.22Å; F281-M284 WeakPolarHBondContact O-CB 3.32Å; F281-M284 PolarHBondContact O-N 2.86Å; F281-L285 HydrophobicContact CD1-CD1 4.01Å; F281-L285 HydrophobicContact CE1-CD1 3.46Å; F281-L285 VanDerWaalsContact CE1-CD1 3.46Å; F281-L285 HydrophobicContact CE1-CG 4.31Å; F281-L285 HydrophobicContact CE2-CD1 4.36Å; F281-L285 HydrophobicContact CE2-CG 4.43Å; F281-L285 HydrophobicContact CZ-CD1 3.67Å; F281-L285 HydrophobicContact CZ-CD2 4.43Å; F281-L285 HydrophobicContact CZ-CG 4.2Å; F281-L285 WeakPolarHBondContact O-CG 3.25Å; F281-L285 PolarHBondContact O-N 3Å
282	P	94.4	Very high	91.8	Very high	41 Å²	41	52.7 Å²	52.7	27%	0.266	26%	0.258	S	S	.	.	H	α-helix	trans	-63.7	-38.9	176.3	-26	38.6	0	0	0	112.4	L277 Q278 L285 M286 I318	L277-P282 VanDerWaalsContact O-CD 3.25Å; L277-P282 WeakPolarHBondContact O-CD 3.49Å; Q278-P282 WeakPolarHBondContact O-CG 3.49Å; P282-L285 PolarHBondContact O-N 3.39Å; P282-M286 VanDerWaalsContact O-CG 3.26Å; P282-M286 WeakPolarHBondContact O-CG 3.44Å; P282-M286 PolarHBondContact O-N 3.3Å; P282-I318 HydrophobicContact CB-CD1 4.41Å
283	T	95.1	Very high	91.5	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-65.7	-41.5	178.7	50.4	0	0	0	0	112.1	T279 Y280 F281 L285 M286 V287 M315 I318 Y338 L339	T279-T283 WeakPolarHBondContact O-CB 3.4Å; T279-T283 WeakPolarHBondContact O-CG2 3.47Å; T279-T283 PolarHBondContact O-N 2.69Å; T279-T283 PolarHBondContact O-OG1 2.73Å; Y280-T283 VanDerWaalsContact C-OG1 3.3Å; Y280-T283 WeakPolarHBondContact CA-OG1 3.27Å; Y280-T283 PolarHBondContact O-OG1 2.75Å; F281-T283 VanDerWaalsContact C-N 3.34Å; F281-T283 PolarHBondContact O-N 3.22Å; T283-L285 PolarHBondContact O-N 3.07Å; T283-M286 PolarHBondContact O-N 3.42Å; T283-V287 WeakPolarHBondContact O-CG2 3.29Å; T283-V287 PolarHBondContact O-N 2.88Å; T283-M315 HydrophobicContact CG2-CE 4.07Å; T283-M315 HydrophobicContact CG2-SD 3.98Å; T283-M315 VanDerWaalsContact O-CE 3.23Å; T283-M315 WeakPolarHBondContact O-CE 3.16Å; T283-I318 HydrophobicContact CG2-CD1 4.18Å; T283-I318 HydrophobicContact CG2-CG2 3.68Å; T283-Y338 WeakPolarHBondContact OG1-CE1 3.29Å; T283-L339 HydrophobicContact CG2-CD2 3.4Å
284	M	93.7	Very high	91.4	Very high	51 Å²	51	44.7 Å²	44.7	25%	0.251	22%	0.222	S	C	.	.	H	α-helix	trans	-54.8	-50.6	169.1	-79.5	-72	-153.4	0	0	112	Y280 F281 M286 V287 M288 Y338 Y463 N467	Y280-M284 WeakPolarHBondContact O-CB 3.43Å; Y280-M284 VanDerWaalsContact O-CG 3.23Å; Y280-M284 WeakPolarHBondContact O-CG 3.5Å; Y280-M284 PolarHBondContact O-N 3.05Å; F281-M284 WeakPolarHBondContact O-CB 3.32Å; F281-M284 PolarHBondContact O-N 2.86Å; M284-M286 VanDerWaalsContact C-N 3.29Å; M284-M286 PolarHBondContact O-N 2.78Å; M284-V287 PolarHBondContact O-N 3.36Å; M284-M288 WeakPolarHBondContact O-CG 3.05Å; M284-M288 PolarHBondContact O-N 2.99Å; M284-Y338 VanDerWaalsContact CE-OH 3.3Å; M284-Y338 WeakPolarHBondContact CE-OH 3.42Å; M284-Y338 VanDerWaalsContact CG-OH 3.23Å; M284-Y338 WeakPolarHBondContact CG-OH 3.5Å; M284-Y338 PolarHBondContact SD-OH 3.4Å; M284-Y463 HydrophobicContact CE-CE1 4.37Å; M284-Y463 HydrophobicContact SD-CD1 4.49Å; M284-Y463 HydrophobicContact SD-CE1 3.29Å; M284-Y463 WeakPolarHBondContact SD-CE1 3.4Å; M284-Y463 VanDerWaalsContact SD-CZ 3.54Å; M284-Y463 PolarHBondContact SD-OH 3.39Å; M284-N467 HydrophobicContact CE-CB 4.46Å; M284-N467 WeakPolarHBondContact CE-OD1 3.47Å
285	L	93.4	Very high	91.1	Very high	69 Å²	69	47.3 Å²	47.3	36%	0.361	23%	0.228	S	C	.	.	H	α-helix	trans	-60.6	-39.4	178.6	-70.3	177.5	0	0	0	111.9	F281 P282 T283 M288 L289	F281-L285 HydrophobicContact CD1-CD1 4.01Å; F281-L285 HydrophobicContact CE1-CD1 3.46Å; F281-L285 VanDerWaalsContact CE1-CD1 3.46Å; F281-L285 HydrophobicContact CE1-CG 4.31Å; F281-L285 HydrophobicContact CE2-CD1 4.36Å; F281-L285 HydrophobicContact CE2-CG 4.43Å; F281-L285 HydrophobicContact CZ-CD1 3.67Å; F281-L285 HydrophobicContact CZ-CD2 4.43Å; F281-L285 HydrophobicContact CZ-CG 4.2Å; F281-L285 WeakPolarHBondContact O-CG 3.25Å; F281-L285 PolarHBondContact O-N 3Å; P282-L285 PolarHBondContact O-N 3.39Å; T283-L285 PolarHBondContact O-N 3.07Å; L285-M288 CarbonylContact O-C 3.56Å; L285-M288 WeakPolarHBondContact O-CB 3.08Å; L285-M288 PolarHBondContact O-N 3.21Å; L285-L289 WeakPolarHBondContact O-CB 3.48Å; L285-L289 VanDerWaalsContact O-CG 3.29Å; L285-L289 WeakPolarHBondContact O-CG 3.4Å; L285-L289 PolarHBondContact O-N 2.96Å
286	M	93.4	Very high	90.8	Very high	22 Å²	22	48.2 Å²	48.2	11%	0.108	23%	0.234	C	C	.	.	H	α-helix	trans	-65.2	-40.1	177.9	-71	-51	-56.6	0	0	112.7	P282 T283 M284 M288 L289 S290 T311 T314 M315 I318	P282-M286 VanDerWaalsContact O-CG 3.26Å; P282-M286 WeakPolarHBondContact O-CG 3.44Å; P282-M286 PolarHBondContact O-N 3.3Å; T283-M286 PolarHBondContact O-N 3.42Å; M284-M286 VanDerWaalsContact C-N 3.29Å; M284-M286 PolarHBondContact O-N 2.78Å; M286-M288 VanDerWaalsContact C-N 3.34Å; M286-L289 PolarHBondContact O-N 3.01Å; M286-L289 HydrophobicContact SD-CD1 4.01Å; M286-S290 PolarHBondContact O-N 2.99Å; M286-T311 HydrophobicContact CE-CG2 3.78Å; M286-T314 HydrophobicContact CE-CG2 3.61Å; M286-T314 HydrophobicContact CG-CG2 4.07Å; M286-T314 HydrophobicContact SD-CG2 3.61Å; M286-M315 HydrophobicContact CB-CE 3.87Å; M286-M315 HydrophobicContact CB-CG 4.2Å; M286-M315 HydrophobicContact CB-SD 4.28Å; M286-I318 HydrophobicContact CG-CD1 4.1Å
287	V	94.5	Very high	90.2	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.006	25%	0.254	C	S	.	.	H	α-helix	trans	-64.3	-42.1	172.4	176.7	0	0	0	0	110.5	T283 M284 L289 S290 W291 M315 F345 V346 Y463	T283-V287 WeakPolarHBondContact O-CG2 3.29Å; T283-V287 PolarHBondContact O-N 2.88Å; M284-V287 PolarHBondContact O-N 3.36Å; V287-L289 VanDerWaalsContact C-N 3.33Å; V287-L289 PolarHBondContact O-N 2.95Å; V287-S290 WeakPolarHBondContact O-CB 3.43Å; V287-S290 PolarHBondContact O-N 3.24Å; V287-S290 VanDerWaalsContact O-N 3.17Å; V287-S290 PolarHBondContact O-OG 2.88Å; V287-W291 HydrophobicContact CG1-CE3 4.4Å; V287-W291 HydrophobicContact CG1-CZ3 4.25Å; V287-M315 HydrophobicContact CG2-CE 3.78Å; V287-F345 HydrophobicContact CG1-CB 4.27Å; V287-V346 HydrophobicContact CG2-CG2 4.1Å; V287-Y463 HydrophobicContact CB-CE1 4.16Å; V287-Y463 HydrophobicContact CB-CE2 4.34Å; V287-Y463 HydrophobicContact CG1-CD1 3.97Å; V287-Y463 HydrophobicContact CG1-CD2 4.01Å; V287-Y463 HydrophobicContact CG1-CE1 3.89Å; V287-Y463 HydrophobicContact CG1-CE2 3.96Å; V287-Y463 HydrophobicContact CG1-CG 4.02Å; V287-Y463 HydrophobicContact CG2-CE2 4.03Å
288	M	92.3	Very high	89.3	Confident	76 Å²	76	51.8 Å²	51.8	37%	0.374	25%	0.248	S	C	.	.	H	α-helix	trans	-63.2	-38.5	176.6	-61.3	-93.3	154.7	0	0	112	M284 L285 M286 S290 W291 Y463	M284-M288 WeakPolarHBondContact O-CG 3.05Å; M284-M288 PolarHBondContact O-N 2.99Å; L285-M288 CarbonylContact O-C 3.56Å; L285-M288 WeakPolarHBondContact O-CB 3.08Å; L285-M288 PolarHBondContact O-N 3.21Å; M286-M288 VanDerWaalsContact C-N 3.34Å; M288-S290 VanDerWaalsContact C-N 3.32Å; M288-S290 PolarHBondContact O-N 3.42Å; M288-W291 HydrophobicContact CB-CZ2 4.45Å; M288-W291 HydrophobicContact CE-CH2 3.43Å; M288-W291 VanDerWaalsContact CE-CH2 3.43Å; M288-W291 HydrophobicContact CE-CZ2 3.47Å; M288-W291 VanDerWaalsContact CE-CZ2 3.47Å; M288-W291 HydrophobicContact CG-CZ2 4.12Å; M288-W291 PolarHBondContact O-NE1 2.85Å; M288-W291 HydrophobicContact SD-CH2 3.75Å; M288-W291 HydrophobicContact SD-CZ2 3.09Å; M288-W291 WeakPolarHBondContact SD-CZ2 3.35Å; M288-Y463 HydrophobicContact CE-CD1 4.33Å; M288-Y463 HydrophobicContact CE-CE1 4.33Å
289	L	91.6	Very high	88.5	Confident	85 Å²	85	56.9 Å²	56.9	45%	0.445	26%	0.262	S	S	.	.	H	α-helix	trans	-65.6	-37.6	175.1	-73.7	172.6	0	0	0	111.4	L285 M286 V287 W291 V292 T311	L285-L289 WeakPolarHBondContact O-CB 3.48Å; L285-L289 VanDerWaalsContact O-CG 3.29Å; L285-L289 WeakPolarHBondContact O-CG 3.4Å; L285-L289 PolarHBondContact O-N 2.96Å; M286-L289 PolarHBondContact O-N 3.01Å; M286-L289 HydrophobicContact SD-CD1 4.01Å; V287-L289 VanDerWaalsContact C-N 3.33Å; V287-L289 PolarHBondContact O-N 2.95Å; L289-W291 VanDerWaalsContact C-N 3.3Å; L289-W291 PolarHBondContact O-N 3.2Å; L289-V292 WeakPolarHBondContact O-CB 3.34Å; L289-V292 PolarHBondContact O-N 3.19Å; L289-V292 VanDerWaalsContact O-N 3.09Å; L289-T311 HydrophobicContact CB-CG2 4.22Å
290	S	91.6	Very high	88.1	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.007	28%	0.275	C	S	.	.	H	α-helix	trans	-59.1	-37.8	-177.7	79.2	0	0	0	0	113.2	M286 V287 M288 S293 S349	M286-S290 PolarHBondContact O-N 2.99Å; V287-S290 WeakPolarHBondContact O-CB 3.43Å; V287-S290 PolarHBondContact O-N 3.24Å; V287-S290 VanDerWaalsContact O-N 3.17Å; V287-S290 PolarHBondContact O-OG 2.88Å; M288-S290 VanDerWaalsContact C-N 3.32Å; M288-S290 PolarHBondContact O-N 3.42Å; S290-S293 WeakPolarHBondContact O-CB 3.37Å; S290-S293 PolarHBondContact O-N 3.31Å; S290-S293 PolarHBondContact O-OG 2.9Å; S290-S349 WeakPolarHBondContact CB-OG 3.34Å
291	W	89.1	Confident	87.6	Confident	36 Å²	36	60.7 Å²	60.7	14%	0.136	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-85.5	-5.1	179.1	63.1	41.2	0	0	0	114.4	V287 M288 L289 S293 F294 F459 P460 Y463	V287-W291 HydrophobicContact CG1-CE3 4.4Å; V287-W291 HydrophobicContact CG1-CZ3 4.25Å; M288-W291 HydrophobicContact CB-CZ2 4.45Å; M288-W291 HydrophobicContact CE-CH2 3.43Å; M288-W291 VanDerWaalsContact CE-CH2 3.43Å; M288-W291 HydrophobicContact CE-CZ2 3.47Å; M288-W291 VanDerWaalsContact CE-CZ2 3.47Å; M288-W291 HydrophobicContact CG-CZ2 4.12Å; M288-W291 PolarHBondContact O-NE1 2.85Å; M288-W291 HydrophobicContact SD-CH2 3.75Å; M288-W291 HydrophobicContact SD-CZ2 3.09Å; M288-W291 WeakPolarHBondContact SD-CZ2 3.35Å; L289-W291 VanDerWaalsContact C-N 3.3Å; L289-W291 PolarHBondContact O-N 3.2Å; W291-S293 PolarHBondContact O-N 3.42Å; W291-F294 HydrophobicContact CB-CD2 3.53Å; W291-F294 HydrophobicContact CB-CE2 3.32Å; W291-F294 HydrophobicContact CB-CG 4.49Å; W291-F294 HydrophobicContact CB-CZ 4.16Å; W291-F294 WeakPolarHBondContact O-CB 3.32Å; W291-F294 WeakPolarHBondContact O-CD2 3.44Å; W291-F294 WeakPolarHBondContact O-CG 3.4Å; W291-F294 PolarHBondContact O-N 2.95Å; W291-F294 VanDerWaalsContact O-N 3.16Å; W291-F459 HydrophobicContact CE3-CB 4.08Å; W291-P460 HydrophobicContact CD2-CG 4.04Å; W291-P460 HydrophobicContact CE3-CB 4.47Å; W291-P460 HydrophobicContact CE3-CG 3.89Å; W291-P460 VanDerWaalsContact CH2-CA 3.47Å; W291-P460 HydrophobicContact CH2-CB 3.6Å; W291-P460 HydrophobicContact CH2-CG 3.79Å; W291-P460 HydrophobicContact CZ2-CB 4Å; W291-P460 HydrophobicContact CZ2-CG 3.89Å; W291-P460 HydrophobicContact CZ3-CB 3.88Å; W291-P460 HydrophobicContact CZ3-CG 3.81Å; W291-Y463 HydrophobicContact CH2-CD1 4.28Å; W291-Y463 HydrophobicContact CZ3-CD1 4.24Å; W291-Y463 HydrophobicContact CZ3-CG 4.48Å
292	V	87.8	Confident	87.2	Confident	61 Å²	61	62.1 Å²	62.1	37%	0.37	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-61.8	-27.3	167.5	177.4	0	0	0	0	109.9	L289 F294 W295 I296	L289-V292 WeakPolarHBondContact O-CB 3.34Å; L289-V292 PolarHBondContact O-N 3.19Å; L289-V292 VanDerWaalsContact O-N 3.09Å; V292-F294 PolarHBondContact O-N 3.23Å; V292-F294 VanDerWaalsContact O-N 3.14Å; V292-W295 WeakPolarHBondContact O-CB 3.42Å; V292-W295 PolarHBondContact O-N 3.31Å; V292-I296 PolarHBondContact O-N 2.88Å
293	S	84.5	Confident	86.8	Confident	4 Å²	4	62.4 Å²	62.4	3%	0.028	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-54.6	-30.2	173.5	65.6	0	0	0	0	113.8	S290 W291 W295 I296 R304	S290-S293 WeakPolarHBondContact O-CB 3.37Å; S290-S293 PolarHBondContact O-N 3.31Å; S290-S293 PolarHBondContact O-OG 2.9Å; W291-S293 PolarHBondContact O-N 3.42Å; S293-W295 PolarHBondContact O-N 3Å; S293-I296 PolarHBondContact O-N 2.81Å; S293-R304 PolarHBondContact O-NE 3.41Å
294	F	86.1	Confident	86.4	Confident	1 Å²	1	62.7 Å²	62.7	0%	0.004	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-71.4	-16.6	179.1	-50.8	-31.8	0	0	0	113.3	W291 V292 E352 R456 F459	W291-F294 HydrophobicContact CB-CD2 3.53Å; W291-F294 HydrophobicContact CB-CE2 3.32Å; W291-F294 HydrophobicContact CB-CG 4.49Å; W291-F294 HydrophobicContact CB-CZ 4.16Å; W291-F294 WeakPolarHBondContact O-CB 3.32Å; W291-F294 WeakPolarHBondContact O-CD2 3.44Å; W291-F294 WeakPolarHBondContact O-CG 3.4Å; W291-F294 PolarHBondContact O-N 2.95Å; W291-F294 VanDerWaalsContact O-N 3.16Å; V292-F294 PolarHBondContact O-N 3.23Å; V292-F294 VanDerWaalsContact O-N 3.14Å; F294-E352 WeakPolarHBondContact CD1-OE2 3.47Å; F294-E352 HydrophobicContact CE1-CB 4.21Å; F294-E352 HydrophobicContact CE1-CG 3.99Å; F294-E352 WeakPolarHBondContact CE1-OE2 3.25Å; F294-R456 HydrophobicContact CB-CG 3.95Å; F294-R456 PolarHBondContact O-NE 3.1Å; F294-R456 VanDerWaalsContact O-NE 3.13Å; F294-R456 PolarHBondContact O-NH2 3.17Å; F294-F459 HydrophobicContact CE2-CB 3.95Å; F294-F459 HydrophobicContact CE2-CD1 4.18Å; F294-F459 AromaticContact CE2-CD2 3.73Å; F294-F459 HydrophobicContact CE2-CD2 3.73Å; F294-F459 HydrophobicContact CE2-CE2 4.2Å; F294-F459 AromaticContact CE2-CG 3.71Å; F294-F459 HydrophobicContact CE2-CG 3.71Å; F294-F459 HydrophobicContact CZ-CD1 4.04Å; F294-F459 AromaticContact CZ-CD2 3.8Å; F294-F459 HydrophobicContact CZ-CD2 3.8Å; F294-F459 HydrophobicContact CZ-CE1 4.03Å; F294-F459 AromaticContact CZ-CE2 3.79Å; F294-F459 HydrophobicContact CZ-CE2 3.79Å; F294-F459 AromaticContact CZ-CG 3.92Å; F294-F459 HydrophobicContact CZ-CG 3.92Å; F294-F459 AromaticContact CZ-CZ 3.9Å; F294-F459 HydrophobicContact CZ-CZ 3.9Å
295	W	84.5	Confident	86.2	Confident	178 Å²	178	62.7 Å²	62.7	67%	0.674	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-27.1	179	-69.4	84.8	0	0	0	112.8	V292 S293	V292-W295 WeakPolarHBondContact O-CB 3.42Å; V292-W295 PolarHBondContact O-N 3.31Å; S293-W295 PolarHBondContact O-N 3Å
296	I	85	Confident	86.1	Confident	45 Å²	45	62.8 Å²	62.8	23%	0.231	32%	0.322	C	S	.	.	S	Bend	trans	-67.6	139.9	177.5	-63.7	174.9	0	0	0	108.7	V292 S293 A300 R304 L307	V292-I296 PolarHBondContact O-N 2.88Å; S293-I296 PolarHBondContact O-N 2.81Å; I296-A300 HydrophobicContact CG2-CB 3.98Å; I296-R304 HydrophobicContact CB-CG 4.01Å; I296-R304 HydrophobicContact CG2-CG 3.74Å; I296-R304 PolarHBondContact O-NE 3.28Å; I296-R304 PolarHBondContact O-NH2 3.38Å; I296-L307 HydrophobicContact CD1-CD1 4.31Å
297	D	78.4	Confident	86	Confident	127 Å²	127	63.6 Å²	63.6	68%	0.679	33%	0.327	S	S	*	.			trans	-62.8	143.7	178.7	-82	-46	0	0	0	113.7	R299 A300 R304	D297-R299 PolarHBondContact O-N 2.89Å; D297-A300 PolarHBondContact O-N 3.28Å; D297-R304 PolarHBondContact O-NE 3.08Å
298	R	70.6	Confident	85.8	Confident	87 Å²	87	63.9 Å²	63.9	33%	0.328	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-17	179.2	70.1	-165.6	-173.4	152.8	-2.7	114.6	V356 T360 E363	R298-V356 HydrophobicContact CB-CG1 4.45Å; R298-T360 HydrophobicContact CG-CG2 4.4Å; R298-E363 IonicContact NH1-OE2 2.8Å
299	R	73.5	Confident	85.8	Confident	223 Å²	223	65.3 Å²	65.3	84%	0.842	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-23.6	177.6	-65	-179.5	176.2	178.9	-0.9	112.4	D297 V301	D297-R299 PolarHBondContact O-N 2.89Å; R299-V301 PolarHBondContact O-N 2.84Å; R299-V301 VanDerWaalsContact O-N 3.1Å
300	A	83.7	Confident	85.9	Confident	39 Å²	39	64.6 Å²	64.6	32%	0.322	34%	0.338	S	S	.	.			trans	-88	56.8	178.1	0	0	0	0	0	111.6	I296 D297 P302 A303 R304	I296-A300 HydrophobicContact CG2-CB 3.98Å; D297-A300 PolarHBondContact O-N 3.28Å; A300-P302 VanDerWaalsContact C-CD 3.47Å; A300-A303 HydrophobicContact CB-CB 4.43Å; A300-A303 PolarHBondContact O-N 2.89Å; A300-R304 PolarHBondContact O-N 3.42Å
301	V	82.1	Confident	86	Confident	53 Å²	53	64.8 Å²	64.8	32%	0.321	34%	0.338	S	S	.	.	H	α-helix	trans	-46.4	-50.3	177	166.2	0	0	0	0	113.7	R299 A303 R304 V305 Y353	R299-V301 PolarHBondContact O-N 2.84Å; R299-V301 VanDerWaalsContact O-N 3.1Å; V301-A303 VanDerWaalsContact C-N 3.31Å; V301-A303 PolarHBondContact O-N 2.88Å; V301-R304 PolarHBondContact O-N 2.81Å; V301-V305 HydrophobicContact CG1-CG2 4.24Å; V301-V305 WeakPolarHBondContact O-CG2 3.37Å; V301-V305 PolarHBondContact O-N 3.24Å; V301-V305 VanDerWaalsContact O-N 3.07Å; V301-Y353 VanDerWaalsContact CG1-OH 3.32Å; V301-Y353 WeakPolarHBondContact CG1-OH 3.4Å
302	P	85.9	Confident	86.3	Confident	105 Å²	105	64.7 Å²	64.7	68%	0.682	34%	0.342	S	S	*	.	H	α-helix	trans	-63.4	-34.7	-175.6	22.6	-33.7	0	0	0	113.3	A300 S306	A300-P302 VanDerWaalsContact C-CD 3.47Å; P302-S306 VanDerWaalsContact O-CB 3.24Å; P302-S306 WeakPolarHBondContact O-CB 3.28Å; P302-S306 PolarHBondContact O-N 3.31Å; P302-S306 VanDerWaalsContact O-N 3.12Å
303	A	86.3	Confident	86.6	Confident	46 Å²	46	67 Å²	67	38%	0.38	35%	0.352	S	S	.	.	H	α-helix	trans	-69.3	-43.7	178.6	0	0	0	0	0	111.9	A300 V301 L307	A300-A303 HydrophobicContact CB-CB 4.43Å; A300-A303 PolarHBondContact O-N 2.89Å; V301-A303 VanDerWaalsContact C-N 3.31Å; V301-A303 PolarHBondContact O-N 2.88Å; A303-L307 WeakPolarHBondContact O-CB 3.21Å; A303-L307 PolarHBondContact O-N 3.3Å; A303-L307 VanDerWaalsContact O-N 3.07Å
304	R	87.5	Confident	87.1	Confident	6 Å²	6	69.1 Å²	69.1	2%	0.023	36%	0.364	C	S	.	.	H	α-helix	trans	-66.5	-44.3	179.6	-69.6	-171.5	176	-161.5	2.7	112	S293 I296 D297 A300 V301 L307 G308 Y353 D452	S293-R304 PolarHBondContact O-NE 3.41Å; I296-R304 HydrophobicContact CB-CG 4.01Å; I296-R304 HydrophobicContact CG2-CG 3.74Å; I296-R304 PolarHBondContact O-NE 3.28Å; I296-R304 PolarHBondContact O-NH2 3.38Å; D297-R304 PolarHBondContact O-NE 3.08Å; A300-R304 PolarHBondContact O-N 3.42Å; V301-R304 PolarHBondContact O-N 2.81Å; R304-L307 PolarHBondContact O-N 3.46Å; R304-G308 PolarHBondContact O-N 3.29Å; R304-Y353 HydrophobicContact CB-CD2 3.75Å; R304-Y353 HydrophobicContact CB-CE2 3.67Å; R304-Y353 HydrophobicContact CB-CG 4.44Å; R304-Y353 HydrophobicContact CG-CD2 4.33Å; R304-Y353 HydrophobicContact CG-CE2 4.36Å; R304-D452 IonicContact NH1-OD1 2.76Å; R304-D452 IonicContact NH2-OD1 3.57Å; R304-D452 IonicContact NH2-OD2 3.54Å
305	V	88.5	Confident	87.5	Confident	52 Å²	52	69.1 Å²	69.1	32%	0.315	36%	0.364	S	S	.	.	H	α-helix	trans	-62.7	-47.6	178.3	175.4	0	0	0	0	110.9	V301 L307 G308 I309 Y353	V301-V305 HydrophobicContact CG1-CG2 4.24Å; V301-V305 WeakPolarHBondContact O-CG2 3.37Å; V301-V305 PolarHBondContact O-N 3.24Å; V301-V305 VanDerWaalsContact O-N 3.07Å; V305-L307 PolarHBondContact O-N 3.25Å; V305-G308 PolarHBondContact O-N 2.81Å; V305-I309 HydrophobicContact CG1-CD1 3.58Å; V305-I309 HydrophobicContact CG1-CG1 4.27Å; V305-I309 WeakPolarHBondContact O-CG1 3.37Å; V305-I309 PolarHBondContact O-N 2.82Å; V305-Y353 HydrophobicContact CG2-CD1 4.44Å; V305-Y353 HydrophobicContact CG2-CE1 3.38Å; V305-Y353 VanDerWaalsContact CG2-OH 3.25Å; V305-Y353 WeakPolarHBondContact CG2-OH 3.41Å
306	S	90.8	Very high	88	Confident	70 Å²	70	63.2 Å²	63.2	49%	0.49	35%	0.35	S	S	.	.	H	α-helix	trans	-59.7	-45.7	179.7	-177.5	0	0	0	0	111.6	P302 T310	P302-S306 VanDerWaalsContact O-CB 3.24Å; P302-S306 WeakPolarHBondContact O-CB 3.28Å; P302-S306 PolarHBondContact O-N 3.31Å; P302-S306 VanDerWaalsContact O-N 3.12Å; S306-T310 VanDerWaalsContact O-CB 3.24Å; S306-T310 WeakPolarHBondContact O-CB 3.37Å; S306-T310 PolarHBondContact O-N 3.09Å; S306-T310 PolarHBondContact O-OG1 3.13Å
307	L	91.1	Very high	88.4	Confident	40 Å²	40	65.3 Å²	65.3	21%	0.209	37%	0.365	C	S	.	.	H	α-helix	trans	-63.6	-44.6	176.4	-172.8	153.9	0	0	0	111.9	I296 A303 R304 V305 T310 T311	I296-L307 HydrophobicContact CD1-CD1 4.31Å; A303-L307 WeakPolarHBondContact O-CB 3.21Å; A303-L307 PolarHBondContact O-N 3.3Å; A303-L307 VanDerWaalsContact O-N 3.07Å; R304-L307 PolarHBondContact O-N 3.46Å; V305-L307 PolarHBondContact O-N 3.25Å; L307-T310 PolarHBondContact O-N 2.84Å; L307-T311 HydrophobicContact CD2-CG2 4.01Å; L307-T311 HydrophobicContact CG-CG2 4.48Å; L307-T311 WeakPolarHBondContact O-CB 3.37Å; L307-T311 WeakPolarHBondContact O-CG2 3.38Å; L307-T311 PolarHBondContact O-N 3.43Å; L307-T311 PolarHBondContact O-OG1 2.94Å
308	G	90.6	Very high	89.2	Confident	7 Å²	7	60.8 Å²	60.8	7%	0.072	34%	0.341	C	S	.	.	H	α-helix	trans	-62	-46.8	178.5	0	0	0	0	0	113.2	R304 V305 T311 V312	R304-G308 PolarHBondContact O-N 3.29Å; V305-G308 PolarHBondContact O-N 2.81Å; G308-T311 PolarHBondContact O-OG1 2.84Å; G308-V312 WeakPolarHBondContact O-CG2 3.42Å; G308-V312 PolarHBondContact O-N 3.18Å; G308-V312 VanDerWaalsContact O-N 3.16Å
309	I	92.1	Very high	90.3	Very high	105 Å²	105	57.8 Å²	57.8	54%	0.538	33%	0.331	S	S	.	.	H	α-helix	trans	-66.1	-44.9	177.8	-66.6	173.2	0	0	0	110.7	V305 T311 V312 L313	V305-I309 HydrophobicContact CG1-CD1 3.58Å; V305-I309 HydrophobicContact CG1-CG1 4.27Å; V305-I309 WeakPolarHBondContact O-CG1 3.37Å; V305-I309 PolarHBondContact O-N 2.82Å; I309-T311 VanDerWaalsContact C-N 3.33Å; I309-T311 PolarHBondContact O-N 2.81Å; I309-V312 PolarHBondContact O-N 2.93Å; I309-L313 WeakPolarHBondContact O-CB 3.31Å; I309-L313 PolarHBondContact O-N 2.84Å
310	T	93.7	Very high	91.2	Very high	71 Å²	71	51.3 Å²	51.3	44%	0.436	32%	0.316	S	S	.	.	H	α-helix	trans	-61.3	-43.8	-179.9	-57	0	0	0	0	110.8	S306 L307 L313 T314	S306-T310 VanDerWaalsContact O-CB 3.24Å; S306-T310 WeakPolarHBondContact O-CB 3.37Å; S306-T310 PolarHBondContact O-N 3.09Å; S306-T310 PolarHBondContact O-OG1 3.13Å; L307-T310 PolarHBondContact O-N 2.84Å; T310-L313 PolarHBondContact O-N 2.04Å; T310-T314 WeakPolarHBondContact O-CB 3.33Å; T310-T314 PolarHBondContact O-N 3.48Å; T310-T314 PolarHBondContact O-OG1 2.86Å
311	T	94	Very high	91.5	Very high	4 Å²	4	51.6 Å²	51.6	3%	0.025	32%	0.323	C	S	.	.	H	α-helix	trans	-64.8	-41.2	179.6	51.2	0	0	0	0	112.9	M286 L289 L307 G308 I309 M315	M286-T311 HydrophobicContact CE-CG2 3.78Å; L289-T311 HydrophobicContact CB-CG2 4.22Å; L307-T311 HydrophobicContact CD2-CG2 4.01Å; L307-T311 HydrophobicContact CG-CG2 4.48Å; L307-T311 WeakPolarHBondContact O-CB 3.37Å; L307-T311 WeakPolarHBondContact O-CG2 3.38Å; L307-T311 PolarHBondContact O-N 3.43Å; L307-T311 PolarHBondContact O-OG1 2.94Å; G308-T311 PolarHBondContact O-OG1 2.84Å; I309-T311 VanDerWaalsContact C-N 3.33Å; I309-T311 PolarHBondContact O-N 2.81Å; T311-M315 WeakPolarHBondContact O-CB 3.42Å; T311-M315 PolarHBondContact O-N 2.78Å
312	V	95	Very high	91.9	Very high	34 Å²	34	49.7 Å²	49.7	21%	0.206	31%	0.312	C	S	.	.	H	α-helix	trans	-64.2	-46.1	174	172.5	0	0	0	0	111.3	G308 I309 M315 S316 F343 V346 V350	G308-V312 WeakPolarHBondContact O-CG2 3.42Å; G308-V312 PolarHBondContact O-N 3.18Å; G308-V312 VanDerWaalsContact O-N 3.16Å; I309-V312 PolarHBondContact O-N 2.93Å; V312-M315 PolarHBondContact O-N 3Å; V312-S316 WeakPolarHBondContact O-CB 3.5Å; V312-S316 PolarHBondContact O-N 2.88Å; V312-F343 HydrophobicContact CG1-CE2 3.97Å; V312-F343 HydrophobicContact CG1-CZ 4.41Å; V312-V346 HydrophobicContact CG2-CG1 3.78Å; V312-V350 HydrophobicContact CG2-CG2 3.82Å
313	L	95	Very high	92	Very high	111 Å²	111	47 Å²	47	58%	0.581	30%	0.295	S	S	*	.	H	α-helix	trans	-61.4	-48.8	178.9	178.9	62.2	0	0	0	110.9	I309 T310 M315 S316 T317	I309-L313 WeakPolarHBondContact O-CB 3.31Å; I309-L313 PolarHBondContact O-N 2.84Å; T310-L313 PolarHBondContact O-N 2.04Å; L313-M315 VanDerWaalsContact C-N 3.33Å; L313-M315 PolarHBondContact O-N 2.69Å; L313-S316 WeakPolarHBondContact O-CB 3.41Å; L313-S316 PolarHBondContact O-N 3.22Å; L313-T317 PolarHBondContact O-N 2.83Å; L313-T317 PolarHBondContact O-OG1 3.35Å
314	T	95.1	Very high	92	Very high	48 Å²	48	48.9 Å²	48.9	29%	0.294	31%	0.311	S	S	.	.	H	α-helix	trans	-61.7	-40	178.2	-59.3	0	0	0	0	111.6	M286 T310 T317 I318	M286-T314 HydrophobicContact CE-CG2 3.61Å; M286-T314 HydrophobicContact CG-CG2 4.07Å; M286-T314 HydrophobicContact SD-CG2 3.61Å; T310-T314 WeakPolarHBondContact O-CB 3.33Å; T310-T314 PolarHBondContact O-N 3.48Å; T310-T314 PolarHBondContact O-OG1 2.86Å; T314-T317 WeakPolarHBondContact O-CB 3.24Å; T314-T317 PolarHBondContact O-N 2.8Å; T314-I318 HydrophobicContact CG2-CD1 4.23Å; T314-I318 WeakPolarHBondContact O-CG1 3.43Å; T314-I318 PolarHBondContact O-N 2.81Å
315	M	94.1	Very high	91.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-63.6	-42.9	174	-92.1	-57.9	-159.3	0	0	112.8	T283 M286 V287 T311 V312 L313 T317 I318 I319 F343 V346	T283-M315 HydrophobicContact CG2-CE 4.07Å; T283-M315 HydrophobicContact CG2-SD 3.98Å; T283-M315 VanDerWaalsContact O-CE 3.23Å; T283-M315 WeakPolarHBondContact O-CE 3.16Å; M286-M315 HydrophobicContact CB-CE 3.87Å; M286-M315 HydrophobicContact CB-CG 4.2Å; M286-M315 HydrophobicContact CB-SD 4.28Å; V287-M315 HydrophobicContact CG2-CE 3.78Å; T311-M315 WeakPolarHBondContact O-CB 3.42Å; T311-M315 PolarHBondContact O-N 2.78Å; V312-M315 PolarHBondContact O-N 3Å; L313-M315 VanDerWaalsContact C-N 3.33Å; L313-M315 PolarHBondContact O-N 2.69Å; M315-T317 VanDerWaalsContact C-N 3.29Å; M315-T317 PolarHBondContact O-N 2.76Å; M315-I318 PolarHBondContact O-N 2.92Å; M315-I318 HydrophobicContact SD-CD1 4.33Å; M315-I319 WeakPolarHBondContact O-CG1 3.33Å; M315-I319 PolarHBondContact O-N 2.75Å; M315-F343 HydrophobicContact CB-CD2 4.14Å; M315-V346 HydrophobicContact CE-CG2 4.46Å; M315-V346 HydrophobicContact CG-CG2 4.08Å
316	S	94.4	Very high	91.6	Very high	55 Å²	55	50.6 Å²	50.6	39%	0.385	33%	0.325	S	S	.	.	H	α-helix	trans	-60	-40.5	174.7	-172.1	0	0	0	0	112	V312 L313 I319 T320	V312-S316 WeakPolarHBondContact O-CB 3.5Å; V312-S316 PolarHBondContact O-N 2.88Å; L313-S316 WeakPolarHBondContact O-CB 3.41Å; L313-S316 PolarHBondContact O-N 3.22Å; S316-I319 PolarHBondContact O-N 3.28Å; S316-T320 WeakPolarHBondContact O-CB 3.42Å; S316-T320 PolarHBondContact O-N 3.31Å; S316-T320 PolarHBondContact O-OG1 2.89Å
317	T	94.4	Very high	91.3	Very high	88 Å²	88	47.9 Å²	47.9	54%	0.54	31%	0.306	S	S	.	.	H	α-helix	trans	-62.9	-43	174.7	-57.3	0	0	0	0	111.8	L313 T314 M315 T320 G321	L313-T317 PolarHBondContact O-N 2.83Å; L313-T317 PolarHBondContact O-OG1 3.35Å; T314-T317 WeakPolarHBondContact O-CB 3.24Å; T314-T317 PolarHBondContact O-N 2.8Å; M315-T317 VanDerWaalsContact C-N 3.29Å; M315-T317 PolarHBondContact O-N 2.76Å; T317-T320 PolarHBondContact O-N 3.38Å; T317-G321 PolarHBondContact O-N 2.89Å
318	I	94.2	Very high	91	Very high	33 Å²	33	55.2 Å²	55.2	17%	0.169	34%	0.339	C	S	.	.	H	α-helix	trans	-63	-45.5	176.8	-67.1	165.7	0	0	0	110.8	P282 T283 M286 T314 M315 T320 G321 V322 L339	P282-I318 HydrophobicContact CB-CD1 4.41Å; T283-I318 HydrophobicContact CG2-CD1 4.18Å; T283-I318 HydrophobicContact CG2-CG2 3.68Å; M286-I318 HydrophobicContact CG-CD1 4.1Å; T314-I318 HydrophobicContact CG2-CD1 4.23Å; T314-I318 WeakPolarHBondContact O-CG1 3.43Å; T314-I318 PolarHBondContact O-N 2.81Å; M315-I318 PolarHBondContact O-N 2.92Å; M315-I318 HydrophobicContact SD-CD1 4.33Å; I318-T320 VanDerWaalsContact C-N 3.31Å; I318-T320 PolarHBondContact O-N 3.4Å; I318-G321 PolarHBondContact O-N 3.05Å; I318-V322 HydrophobicContact CG2-CG2 4.3Å; I318-V322 WeakPolarHBondContact O-CG2 3.25Å; I318-V322 PolarHBondContact O-N 3.46Å; I318-L339 HydrophobicContact CG2-CD2 4.19Å
319	I	93.3	Very high	90.9	Very high	23 Å²	23	56.3 Å²	56.3	12%	0.118	34%	0.344	C	S	.	.	H	α-helix	trans	-57.4	-46.9	177.5	-69.2	165.9	0	0	0	110.9	M315 S316 S323 L339 F343	M315-I319 WeakPolarHBondContact O-CG1 3.33Å; M315-I319 PolarHBondContact O-N 2.75Å; S316-I319 PolarHBondContact O-N 3.28Å; I319-S323 WeakPolarHBondContact O-CB 3.46Å; I319-S323 PolarHBondContact O-N 3.4Å; I319-S323 PolarHBondContact O-OG 2.85Å; I319-L339 HydrophobicContact CG1-CB 3.98Å; I319-L339 HydrophobicContact CG1-CD1 4.4Å; I319-F343 HydrophobicContact CD1-CB 4Å; I319-F343 HydrophobicContact CD1-CD2 4.14Å; I319-F343 HydrophobicContact CD1-CG 4.22Å
320	T	92.4	Very high	90.7	Very high	88 Å²	88	57.5 Å²	57.5	54%	0.54	36%	0.362	S	S	.	.	H	α-helix	trans	-64.8	-42.5	179.7	-54.6	0	0	0	0	111.2	S316 T317 I318 S323 A324	S316-T320 WeakPolarHBondContact O-CB 3.42Å; S316-T320 PolarHBondContact O-N 3.31Å; S316-T320 PolarHBondContact O-OG1 2.89Å; T317-T320 PolarHBondContact O-N 3.38Å; I318-T320 VanDerWaalsContact C-N 3.31Å; I318-T320 PolarHBondContact O-N 3.4Å; T320-S323 PolarHBondContact O-N 2.95Å; T320-A324 WeakPolarHBondContact O-CB 3.3Å; T320-A324 PolarHBondContact O-N 3.42Å
321	G	91.6	Very high	90.6	Very high	45 Å²	45	57.8 Å²	57.8	46%	0.464	36%	0.355	S	S	.	.	H	α-helix	trans	-62.3	-45	178.2	0	0	0	0	0	113.1	T317 I318 A324 S325	T317-G321 PolarHBondContact O-N 2.89Å; I318-G321 PolarHBondContact O-N 3.05Å; G321-A324 PolarHBondContact O-N 2.88Å; G321-S325 PolarHBondContact O-N 3.15Å
322	V	90.2	Very high	90.4	Very high	13 Å²	13	62.3 Å²	62.3	8%	0.079	38%	0.383	C	S	.	.	H	α-helix	trans	-63.8	-44.5	176.3	172.8	0	0	0	0	110.6	T279 I318 A324 S325 M326 V335 L339	T279-V322 HydrophobicContact CG2-CG2 3.69Å; I318-V322 HydrophobicContact CG2-CG2 4.3Å; I318-V322 WeakPolarHBondContact O-CG2 3.25Å; I318-V322 PolarHBondContact O-N 3.46Å; V322-A324 VanDerWaalsContact C-N 3.3Å; V322-A324 PolarHBondContact O-N 2.77Å; V322-S325 PolarHBondContact O-N 3Å; V322-S325 PolarHBondContact O-OG 3.32Å; V322-M326 HydrophobicContact CG1-CE 3.38Å; V322-M326 WeakPolarHBondContact O-CE 3.3Å; V322-V335 HydrophobicContact CG1-CG1 4.46Å; V322-V335 HydrophobicContact CG1-CG2 4.33Å; V322-L339 HydrophobicContact CB-CD1 4.08Å; V322-L339 HydrophobicContact CG1-CD1 4Å; V322-L339 HydrophobicContact CG2-CD1 4.18Å
323	S	86.9	Confident	90.3	Very high	47 Å²	47	61.4 Å²	61.4	33%	0.329	38%	0.376	S	S	.	.	H	α-helix	trans	-67.3	-28.4	-179.6	-56.6	0	0	0	0	113.4	I319 T320	I319-S323 WeakPolarHBondContact O-CB 3.46Å; I319-S323 PolarHBondContact O-N 3.4Å; I319-S323 PolarHBondContact O-OG 2.85Å; T320-S323 PolarHBondContact O-N 2.95Å
324	A	87.4	Confident	90.2	Very high	86 Å²	86	56.2 Å²	56.2	71%	0.711	35%	0.349	S	S	*	.	H	α-helix	trans	-77	-26.9	177.4	0	0	0	0	0	113	T320 G321 V322 M326	T320-A324 WeakPolarHBondContact O-CB 3.3Å; T320-A324 PolarHBondContact O-N 3.42Å; G321-A324 PolarHBondContact O-N 2.88Å; V322-A324 VanDerWaalsContact C-N 3.3Å; V322-A324 PolarHBondContact O-N 2.77Å; A324-M326 VanDerWaalsContact C-N 3.27Å; A324-M326 PolarHBondContact O-N 3.25Å
325	S	83.7	Confident	90.1	Very high	82 Å²	82	54 Å²	54	57%	0.573	34%	0.335	S	S	*	.	S	Bend	trans	-78.4	-9.1	-179.3	68.3	0	0	0	0	114.4	G321 V322	G321-S325 PolarHBondContact O-N 3.15Å; V322-S325 PolarHBondContact O-N 3Å; V322-S325 PolarHBondContact O-OG 3.32Å
326	M	83.9	Confident	90	Very high	12 Å²	12	55 Å²	55	6%	0.059	34%	0.341	C	S	.	.	S	Bend	trans	-129.7	157	-171.7	-75.3	-170.4	-78.6	0	0	112.1	F197 V322 A324 V335	F197-M326 HydrophobicContact CD1-CE 4.01Å; F197-M326 HydrophobicContact CD1-SD 3.5Å; F197-M326 VanDerWaalsContact CD1-SD 3.5Å; F197-M326 HydrophobicContact CD2-SD 3.89Å; F197-M326 HydrophobicContact CE1-CE 3.58Å; F197-M326 HydrophobicContact CE1-SD 3.13Å; F197-M326 WeakPolarHBondContact CE1-SD 3.08Å; F197-M326 HydrophobicContact CE2-CG 4.42Å; F197-M326 HydrophobicContact CE2-SD 3.51Å; F197-M326 VanDerWaalsContact CE2-SD 3.51Å; F197-M326 HydrophobicContact CG-SD 3.87Å; F197-M326 HydrophobicContact CZ-CE 4.07Å; F197-M326 HydrophobicContact CZ-CG 4.11Å; F197-M326 HydrophobicContact CZ-SD 3.12Å; F197-M326 WeakPolarHBondContact CZ-SD 3.45Å; V322-M326 HydrophobicContact CG1-CE 3.38Å; V322-M326 WeakPolarHBondContact O-CE 3.3Å; A324-M326 VanDerWaalsContact C-N 3.27Å; A324-M326 PolarHBondContact O-N 3.25Å; M326-V335 HydrophobicContact CE-CG1 4.12Å
327	P	84.9	Confident	90	Very high	14 Å²	14	55.3 Å²	55.3	9%	0.091	34%	0.337	C	S	.	.			trans	-56.7	142.5	171.3	24	-35.4	0	0	0	112.1	E105 F194 V329	E105-P327 HydrophobicContact CB-CG 4.36Å; E105-P327 VanDerWaalsContact O-CG 3.25Å; E105-P327 WeakPolarHBondContact O-CG 3.19Å; F194-P327 HydrophobicContact CD2-CG 3.87Å; F194-P327 HydrophobicContact CE2-CG 3.39Å; F194-P327 HydrophobicContact CZ-CG 4.02Å; P327-V329 PolarHBondContact O-N 3.39Å
328	Q	84.7	Confident	90	Very high	193 Å²	193	51.1 Å²	51.1	90%	0.902	31%	0.312	S	S	*	.			trans	-77.7	102.9	169.2	-66.6	-176.3	-22.2	0	0	109.2
329	V	87.4	Confident	90	Very high	30 Å²	30	49.6 Å²	49.6	18%	0.182	30%	0.304	C	S	.	.			trans	-101.3	150.9	172.1	-67.4	0	0	0	0	110.3	M108 F194 P327 Y331 K333	M108-V329 HydrophobicContact CE-CG1 4.02Å; F194-V329 HydrophobicContact CD2-CG1 4.01Å; P327-V329 PolarHBondContact O-N 3.39Å; V329-Y331 VanDerWaalsContact C-N 3.33Å; V329-Y331 HydrophobicContact CB-CD1 4.18Å; V329-Y331 HydrophobicContact CB-CE1 3.78Å; V329-Y331 HydrophobicContact CB-CE2 4.1Å; V329-Y331 HydrophobicContact CG1-CE1 4.14Å; V329-Y331 HydrophobicContact CG2-CD2 4Å; V329-Y331 HydrophobicContact CG2-CE1 4.23Å; V329-Y331 HydrophobicContact CG2-CE2 3.61Å; V329-Y331 HydrophobicContact CG2-CG 4.44Å; V329-K333 HydrophobicContact CG2-CD 3.99Å; V329-K333 HydrophobicContact CG2-CG 4.07Å
330	S	88.7	Confident	90	Very high	130 Å²	130	56 Å²	56	91%	0.909	33%	0.327	S	S	*	.	S	Bend	trans	-78	-15.5	-176.1	55.2	0	0	0	0	114.2
331	Y	90.8	Very high	90.1	Very high	77 Å²	77	52.7 Å²	52.7	30%	0.302	31%	0.308	S	S	.	.	S	Bend	trans	-96.1	160.6	179.3	54.5	-100.4	0	0	0	112.2	F194 V329 K333	F194-Y331 HydrophobicContact CB-CE2 4.11Å; F194-Y331 PolarHBondContact N-OH 3.43Å; V329-Y331 VanDerWaalsContact C-N 3.33Å; V329-Y331 HydrophobicContact CB-CD1 4.18Å; V329-Y331 HydrophobicContact CB-CE1 3.78Å; V329-Y331 HydrophobicContact CB-CE2 4.1Å; V329-Y331 HydrophobicContact CG1-CE1 4.14Å; V329-Y331 HydrophobicContact CG2-CD2 4Å; V329-Y331 HydrophobicContact CG2-CE1 4.23Å; V329-Y331 HydrophobicContact CG2-CE2 3.61Å; V329-Y331 HydrophobicContact CG2-CG 4.44Å; Y331-K333 HydrophobicContact CE2-CG 4.45Å
332	V	90.1	Very high	90.3	Very high	99 Å²	99	50.5 Å²	50.5	60%	0.6	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-77	130.2	178.7	-178.9	0	0	0	0	110	D336 I337	V332-D336 HydrophobicContact CG1-CB 4.47Å; V332-I337 HydrophobicContact CG1-CD1 3.86Å; V332-I337 HydrophobicContact CG1-CG1 3.51Å
333	K	92.4	Very high	90.5	Very high	16 Å²	16	52.1 Å²	52.1	7%	0.07	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-92.9	152.8	175.6	-55.3	-178.5	-65.4	-61.8	0	111	F194 V329 Y331 V335 D336 I337	F194-K333 HydrophobicContact CB-CD 4.17Å; F194-K333 HydrophobicContact CB-CG 4.48Å; V329-K333 HydrophobicContact CG2-CD 3.99Å; V329-K333 HydrophobicContact CG2-CG 4.07Å; Y331-K333 HydrophobicContact CE2-CG 4.45Å; K333-V335 VanDerWaalsContact C-N 3.32Å; K333-V335 HydrophobicContact CB-CG1 4.15Å; K333-V335 PolarHBondContact O-N 3.31Å; K333-D336 HydrophobicContact CB-CB 4.42Å; K333-D336 WeakPolarHBondContact CB-OD2 3.21Å; K333-D336 WeakPolarHBondContact CE-OD1 3.42Å; K333-D336 WeakPolarHBondContact CE-OD2 3.45Å; K333-D336 PolarHBondContact N-OD2 3.06Å; K333-D336 VanDerWaalsContact NZ-CG 3.33Å; K333-D336 IonicContact NZ-OD1 2.81Å; K333-D336 PolarHBondContact NZ-OD1 3.3Å; K333-D336 IonicContact NZ-OD2 3.35Å; K333-D336 PolarHBondContact NZ-OD2 3.08Å; K333-D336 WeakPolarHBondContact O-CB 3.41Å; K333-D336 PolarHBondContact O-N 3.05Å; K333-I337 PolarHBondContact O-N 3.31Å
334	A	92.9	Very high	90.9	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.008	30%	0.3	C	S	.	.	H	α-helix	trans	-55.5	-45.2	175.8	0	0	0	0	0	112.4	S195 F197 D336 I337 Y338 Y470 Y474	S195-A334 PolarHBondContact O-N 2.92Å; F197-A334 WeakPolarHBondContact O-CB 3.43Å; A334-D336 VanDerWaalsContact C-N 3.28Å; A334-D336 PolarHBondContact O-N 2.83Å; A334-I337 WeakPolarHBondContact O-CB 3.4Å; A334-I337 PolarHBondContact O-N 3.13Å; A334-Y338 PolarHBondContact O-N 3Å; A334-Y338 VanDerWaalsContact O-N 3.17Å; A334-Y470 WeakPolarHBondContact O-CE2 3.47Å; A334-Y470 PolarHBondContact O-OH 2.74Å; A334-Y474 HydrophobicContact CB-CD1 3.57Å; A334-Y474 HydrophobicContact CB-CD2 4.26Å; A334-Y474 HydrophobicContact CB-CE1 3.45Å; A334-Y474 VanDerWaalsContact CB-CE1 3.45Å; A334-Y474 HydrophobicContact CB-CE2 4.17Å; A334-Y474 HydrophobicContact CB-CG 3.99Å
335	V	92.9	Very high	91.3	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.006	27%	0.272	C	S	.	.	H	α-helix	trans	-59.4	-35.9	174.7	71.6	0	0	0	0	113	F197 T279 V322 M326 K333 I337 Y338 L339	F197-V335 HydrophobicContact CD1-CB 4.17Å; F197-V335 HydrophobicContact CD1-CG1 3.67Å; F197-V335 HydrophobicContact CE1-CG1 4.17Å; F197-V335 PolarHBondContact O-N 2.99Å; F197-V335 VanDerWaalsContact O-N 3.12Å; T279-V335 HydrophobicContact CG2-CG2 3.96Å; V322-V335 HydrophobicContact CG1-CG1 4.46Å; V322-V335 HydrophobicContact CG1-CG2 4.33Å; M326-V335 HydrophobicContact CE-CG1 4.12Å; K333-V335 VanDerWaalsContact C-N 3.32Å; K333-V335 HydrophobicContact CB-CG1 4.15Å; K333-V335 PolarHBondContact O-N 3.31Å; V335-I337 VanDerWaalsContact C-N 3.34Å; V335-I337 PolarHBondContact O-N 3.01Å; V335-Y338 WeakPolarHBondContact O-CB 3.45Å; V335-Y338 PolarHBondContact O-N 2.72Å; V335-L339 HydrophobicContact CG2-CD1 4.06Å; V335-L339 HydrophobicContact CG2-CG 4.27Å; V335-L339 WeakPolarHBondContact O-CB 3.47Å; V335-L339 VanDerWaalsContact O-CG 3.26Å; V335-L339 WeakPolarHBondContact O-CG 3.28Å; V335-L339 PolarHBondContact O-N 2.86Å
336	D	92.7	Very high	91.8	Very high	22 Å²	22	47.8 Å²	47.8	12%	0.118	25%	0.245	C	C	.	.	H	α-helix	trans	-66.2	-40.1	179.3	-62	-21.1	0	0	0	110.3	V332 K333 A334 Y338 L339 W340	V332-D336 HydrophobicContact CG1-CB 4.47Å; K333-D336 HydrophobicContact CB-CB 4.42Å; K333-D336 WeakPolarHBondContact CB-OD2 3.21Å; K333-D336 WeakPolarHBondContact CE-OD1 3.42Å; K333-D336 WeakPolarHBondContact CE-OD2 3.45Å; K333-D336 PolarHBondContact N-OD2 3.06Å; K333-D336 VanDerWaalsContact NZ-CG 3.33Å; K333-D336 IonicContact NZ-OD1 2.81Å; K333-D336 PolarHBondContact NZ-OD1 3.3Å; K333-D336 IonicContact NZ-OD2 3.35Å; K333-D336 PolarHBondContact NZ-OD2 3.08Å; K333-D336 WeakPolarHBondContact O-CB 3.41Å; K333-D336 PolarHBondContact O-N 3.05Å; A334-D336 VanDerWaalsContact C-N 3.28Å; A334-D336 PolarHBondContact O-N 2.83Å; D336-Y338 VanDerWaalsContact C-N 3.31Å; D336-Y338 PolarHBondContact O-N 3.06Å; D336-L339 PolarHBondContact O-N 2.84Å; D336-W340 WeakPolarHBondContact O-CB 3.4Å; D336-W340 VanDerWaalsContact O-CD1 3.23Å; D336-W340 PolarHBondContact O-N 2.85Å
337	I	93.6	Very high	92.3	Very high	62 Å²	62	51.7 Å²	51.7	32%	0.318	26%	0.262	S	S	.	.	H	α-helix	trans	-60.2	-44.9	175.9	-65.4	164.4	0	0	0	110	V332 K333 A334 V335 A341 Y474	V332-I337 HydrophobicContact CG1-CD1 3.86Å; V332-I337 HydrophobicContact CG1-CG1 3.51Å; K333-I337 PolarHBondContact O-N 3.31Å; A334-I337 WeakPolarHBondContact O-CB 3.4Å; A334-I337 PolarHBondContact O-N 3.13Å; V335-I337 VanDerWaalsContact C-N 3.34Å; V335-I337 PolarHBondContact O-N 3.01Å; I337-A341 WeakPolarHBondContact O-CB 3.37Å; I337-A341 PolarHBondContact O-N 2.88Å; I337-Y474 WeakPolarHBondContact CD1-OH 3.29Å
338	Y	94.6	Very high	92.6	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61.9	-46.8	178	-171.6	-89.6	0	0	0	112.5	Y280 T283 M284 A334 V335 D336 S342 Y463 F466 N467 Y470	Y280-Y338 AromaticContact CD1-CD1 3.72Å; Y280-Y338 HydrophobicContact CD1-CD1 3.72Å; Y280-Y338 HydrophobicContact CD1-CD2 4.12Å; Y280-Y338 AromaticContact CD1-CE1 3.64Å; Y280-Y338 HydrophobicContact CD1-CE1 3.64Å; Y280-Y338 HydrophobicContact CD1-CE2 4.03Å; Y280-Y338 AromaticContact CD1-CG 3.96Å; Y280-Y338 HydrophobicContact CD1-CG 3.96Å; Y280-Y338 AromaticContact CD1-CZ 3.79Å; Y280-Y338 AromaticContact CE1-CD1 3.8Å; Y280-Y338 HydrophobicContact CE1-CD1 3.8Å; Y280-Y338 AromaticContact CE1-CD2 3.87Å; Y280-Y338 HydrophobicContact CE1-CD2 3.87Å; Y280-Y338 HydrophobicContact CE1-CE1 4.19Å; Y280-Y338 HydrophobicContact CE1-CE2 4.23Å; Y280-Y338 AromaticContact CE1-CG 3.63Å; Y280-Y338 HydrophobicContact CE1-CG 3.63Å; T283-Y338 WeakPolarHBondContact OG1-CE1 3.29Å; M284-Y338 VanDerWaalsContact CE-OH 3.3Å; M284-Y338 WeakPolarHBondContact CE-OH 3.42Å; M284-Y338 VanDerWaalsContact CG-OH 3.23Å; M284-Y338 WeakPolarHBondContact CG-OH 3.5Å; M284-Y338 PolarHBondContact SD-OH 3.4Å; A334-Y338 PolarHBondContact O-N 3Å; A334-Y338 VanDerWaalsContact O-N 3.17Å; V335-Y338 WeakPolarHBondContact O-CB 3.45Å; V335-Y338 PolarHBondContact O-N 2.72Å; D336-Y338 VanDerWaalsContact C-N 3.31Å; D336-Y338 PolarHBondContact O-N 3.06Å; Y338-S342 WeakPolarHBondContact O-CB 3.4Å; Y338-S342 PolarHBondContact O-N 2.8Å; Y338-S342 PolarHBondContact O-OG 3.27Å; Y338-Y463 PolarHBondContact OH-OH 3.29Å; Y338-Y463 VanDerWaalsContact OH-OH 3.05Å; Y338-F466 AromaticContact CD2-CE1 3.79Å; Y338-F466 HydrophobicContact CD2-CE1 3.79Å; Y338-F466 HydrophobicContact CD2-CZ 4.17Å; Y338-F466 AromaticContact CE2-CE1 3.96Å; Y338-F466 HydrophobicContact CE2-CE1 3.96Å; Y338-N467 WeakPolarHBondContact CE2-OD1 3.38Å; Y338-Y470 AromaticContact CD2-CD1 3.73Å; Y338-Y470 HydrophobicContact CD2-CD1 3.73Å; Y338-Y470 HydrophobicContact CD2-CD2 4.17Å; Y338-Y470 AromaticContact CD2-CE1 3.73Å; Y338-Y470 HydrophobicContact CD2-CE1 3.73Å; Y338-Y470 HydrophobicContact CD2-CE2 4.19Å; Y338-Y470 AromaticContact CD2-CG 3.96Å; Y338-Y470 HydrophobicContact CD2-CG 3.96Å; Y338-Y470 AromaticContact CD2-CZ 3.97Å; Y338-Y470 HydrophobicContact CE2-CD1 4.27Å; Y338-Y470 HydrophobicContact CE2-CE1 4.49Å; Y338-Y470 HydrophobicContact CG-CE1 4.35Å; Y338-Y470 HydrophobicContact CG-CE2 4.47Å
339	L	94.3	Very high	92.9	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-67.7	-44.4	-179.1	-69.5	175.8	0	0	0	112.3	T279 T283 I318 I319 V322 V335 D336 S342 F343	T279-L339 HydrophobicContact CG2-CD2 4.15Å; T283-L339 HydrophobicContact CG2-CD2 3.4Å; I318-L339 HydrophobicContact CG2-CD2 4.19Å; I319-L339 HydrophobicContact CG1-CB 3.98Å; I319-L339 HydrophobicContact CG1-CD1 4.4Å; V322-L339 HydrophobicContact CB-CD1 4.08Å; V322-L339 HydrophobicContact CG1-CD1 4Å; V322-L339 HydrophobicContact CG2-CD1 4.18Å; V335-L339 HydrophobicContact CG2-CD1 4.06Å; V335-L339 HydrophobicContact CG2-CG 4.27Å; V335-L339 WeakPolarHBondContact O-CB 3.47Å; V335-L339 VanDerWaalsContact O-CG 3.26Å; V335-L339 WeakPolarHBondContact O-CG 3.28Å; V335-L339 PolarHBondContact O-N 2.86Å; D336-L339 PolarHBondContact O-N 2.84Å; L339-S342 PolarHBondContact O-N 3.43Å; L339-F343 WeakPolarHBondContact O-CB 3.37Å; L339-F343 PolarHBondContact O-N 3.23Å
340	W	94.4	Very high	93.1	Very high	157 Å²	157	45.7 Å²	45.7	60%	0.595	24%	0.235	S	C	*	.	H	α-helix	trans	-66.8	-39	177.3	-84.6	108.8	0	0	0	112.6	D336 F343 L344	D336-W340 WeakPolarHBondContact O-CB 3.4Å; D336-W340 VanDerWaalsContact O-CD1 3.23Å; D336-W340 PolarHBondContact O-N 2.85Å; W340-F343 HydrophobicContact CE3-CD1 4.03Å; W340-F343 AromaticContact CZ3-CD1 3.97Å; W340-F343 HydrophobicContact CZ3-CD1 3.97Å; W340-F343 HydrophobicContact CZ3-CE1 4.16Å; W340-F343 PolarHBondContact O-N 3.01Å; W340-L344 WeakPolarHBondContact O-CB 3.29Å; W340-L344 PolarHBondContact O-N 3.03Å
341	A	94.9	Very high	93.2	Very high	18 Å²	18	43.3 Å²	43.3	15%	0.149	21%	0.211	C	C	.	.	H	α-helix	trans	-62.8	-46.2	173.2	0	0	0	0	0	111.1	I337 F343 L344 F345 F466	I337-A341 WeakPolarHBondContact O-CB 3.37Å; I337-A341 PolarHBondContact O-N 2.88Å; A341-F343 VanDerWaalsContact C-N 3.35Å; A341-F343 PolarHBondContact O-N 2.97Å; A341-L344 WeakPolarHBondContact O-CB 3.41Å; A341-L344 PolarHBondContact O-N 3.25Å; A341-F345 WeakPolarHBondContact O-CD2 3.32Å; A341-F345 PolarHBondContact O-N 3.12Å; A341-F466 HydrophobicContact CB-CD2 4.28Å; A341-F466 HydrophobicContact CB-CE1 3.91Å; A341-F466 HydrophobicContact CB-CE2 3.53Å; A341-F466 HydrophobicContact CB-CZ 3.32Å
342	S	95.1	Very high	93.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.6	-41	177.3	-58.5	0	0	0	0	112	Y338 L339 L344 F345 V346	Y338-S342 WeakPolarHBondContact O-CB 3.4Å; Y338-S342 PolarHBondContact O-N 2.8Å; Y338-S342 PolarHBondContact O-OG 3.27Å; L339-S342 PolarHBondContact O-N 3.43Å; S342-L344 VanDerWaalsContact C-N 3.34Å; S342-L344 PolarHBondContact O-N 3.4Å; S342-F345 PolarHBondContact O-N 3.42Å; S342-V346 WeakPolarHBondContact O-CG2 3.45Å; S342-V346 PolarHBondContact O-N 3.16Å; S342-V346 VanDerWaalsContact O-N 3.08Å
343	F	95.2	Very high	93	Very high	46 Å²	46	36.9 Å²	36.9	20%	0.202	18%	0.176	C	C	.	.	H	α-helix	trans	-60.5	-42.8	173.3	177.5	-96.2	0	0	0	111.9	V312 M315 I319 L339 W340 A341 F345 V346 F347	V312-F343 HydrophobicContact CG1-CE2 3.97Å; V312-F343 HydrophobicContact CG1-CZ 4.41Å; M315-F343 HydrophobicContact CB-CD2 4.14Å; I319-F343 HydrophobicContact CD1-CB 4Å; I319-F343 HydrophobicContact CD1-CD2 4.14Å; I319-F343 HydrophobicContact CD1-CG 4.22Å; L339-F343 WeakPolarHBondContact O-CB 3.37Å; L339-F343 PolarHBondContact O-N 3.23Å; W340-F343 HydrophobicContact CE3-CD1 4.03Å; W340-F343 AromaticContact CZ3-CD1 3.97Å; W340-F343 HydrophobicContact CZ3-CD1 3.97Å; W340-F343 HydrophobicContact CZ3-CE1 4.16Å; W340-F343 PolarHBondContact O-N 3.01Å; A341-F343 VanDerWaalsContact C-N 3.35Å; A341-F343 PolarHBondContact O-N 2.97Å; F343-F345 VanDerWaalsContact C-N 3.33Å; F343-F345 PolarHBondContact O-N 3.2Å; F343-V346 PolarHBondContact O-N 3.25Å; F343-F347 WeakPolarHBondContact O-CB 3.4Å; F343-F347 PolarHBondContact O-N 3.44Å
344	L	95	Very high	92.8	Very high	94 Å²	94	38.7 Å²	38.7	49%	0.492	19%	0.194	S	C	.	.	H	α-helix	trans	-60.2	-42.5	175.4	179.3	63.5	0	0	0	111.5	W340 A341 S342 F347 L348	W340-L344 WeakPolarHBondContact O-CB 3.29Å; W340-L344 PolarHBondContact O-N 3.03Å; A341-L344 WeakPolarHBondContact O-CB 3.41Å; A341-L344 PolarHBondContact O-N 3.25Å; S342-L344 VanDerWaalsContact C-N 3.34Å; S342-L344 PolarHBondContact O-N 3.4Å; L344-F347 PolarHBondContact O-N 2.74Å; L344-L348 HydrophobicContact CD1-CD1 4.4Å; L344-L348 HydrophobicContact CD1-CG 4.26Å; L344-L348 HydrophobicContact CG-CD1 4.1Å; L344-L348 HydrophobicContact CG-CG 4.41Å; L344-L348 WeakPolarHBondContact O-CB 3.1Å; L344-L348 VanDerWaalsContact O-CG 3.23Å; L344-L348 WeakPolarHBondContact O-CG 3.49Å; L344-L348 PolarHBondContact O-N 2.71Å
345	F	94.1	Very high	92.5	Very high	30 Å²	30	40.3 Å²	40.3	13%	0.132	21%	0.208	C	C	.	.	H	α-helix	trans	-61.5	-44.7	175.9	-81.1	-72.6	0	0	0	112.8	V287 A341 S342 F343 F347 L348 S349 F459 T462 Y463 F466	V287-F345 HydrophobicContact CG1-CB 4.27Å; A341-F345 WeakPolarHBondContact O-CD2 3.32Å; A341-F345 PolarHBondContact O-N 3.12Å; S342-F345 PolarHBondContact O-N 3.42Å; F343-F345 VanDerWaalsContact C-N 3.33Å; F343-F345 PolarHBondContact O-N 3.2Å; F345-F347 VanDerWaalsContact C-N 3.33Å; F345-L348 PolarHBondContact O-N 3.35Å; F345-S349 PolarHBondContact O-N 2.78Å; F345-S349 VanDerWaalsContact O-N 3.09Å; F345-F459 HydrophobicContact CD1-CD1 4.32Å; F345-T462 WeakPolarHBondContact CE1-OG1 3.4Å; F345-Y463 AromaticContact CD2-CD2 3.63Å; F345-Y463 HydrophobicContact CD2-CD2 3.63Å; F345-Y463 HydrophobicContact CD2-CE2 4.22Å; F345-Y463 AromaticContact CE2-CD2 3.76Å; F345-Y463 HydrophobicContact CE2-CD2 3.76Å; F345-Y463 HydrophobicContact CG-CD2 4.17Å; F345-Y463 HydrophobicContact CZ-CD2 4.37Å; F345-F466 HydrophobicContact CE2-CB 4.41Å; F345-F466 HydrophobicContact CE2-CG 4.43Å
346	V	94.8	Very high	92.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-64.3	-39.8	175.8	177.2	0	0	0	0	111	V287 V312 M315 S342 F343 S349 V350	V287-V346 HydrophobicContact CG2-CG2 4.1Å; V312-V346 HydrophobicContact CG2-CG1 3.78Å; M315-V346 HydrophobicContact CE-CG2 4.46Å; M315-V346 HydrophobicContact CG-CG2 4.08Å; S342-V346 WeakPolarHBondContact O-CG2 3.45Å; S342-V346 PolarHBondContact O-N 3.16Å; S342-V346 VanDerWaalsContact O-N 3.08Å; F343-V346 PolarHBondContact O-N 3.25Å; V346-S349 PolarHBondContact O-N 2.81Å; V346-S349 PolarHBondContact O-OG 2.83Å; V346-V350 PolarHBondContact O-N 3.33Å
347	F	93.8	Very high	91.8	Very high	95 Å²	95	41.8 Å²	41.8	42%	0.417	22%	0.216	S	C	.	.	H	α-helix	trans	-65.9	-39.6	176.6	-175.3	-111.1	0	0	0	112.1	F343 L344 F345 S349 V350 I351	F343-F347 WeakPolarHBondContact O-CB 3.4Å; F343-F347 PolarHBondContact O-N 3.44Å; L344-F347 PolarHBondContact O-N 2.74Å; F345-F347 VanDerWaalsContact C-N 3.33Å; F347-S349 VanDerWaalsContact C-N 3.3Å; F347-S349 PolarHBondContact O-N 3.14Å; F347-V350 PolarHBondContact O-N 3.02Å; F347-I351 HydrophobicContact CD1-CD1 3.6Å; F347-I351 HydrophobicContact CD1-CG1 4.4Å; F347-I351 HydrophobicContact CE1-CD1 3.29Å; F347-I351 HydrophobicContact CE1-CG1 4.12Å; F347-I351 HydrophobicContact CG-CD1 4.49Å; F347-I351 HydrophobicContact CZ-CD1 3.93Å; F347-I351 HydrophobicContact CZ-CG1 4.34Å; F347-I351 PolarHBondContact O-N 3.03Å
348	L	92.5	Very high	91.5	Very high	68 Å²	68	45.4 Å²	45.4	36%	0.356	23%	0.227	S	C	.	.	H	α-helix	trans	-63.5	-33.1	175.1	-74.2	172.1	0	0	0	112.3	L344 F345 V350 I351 E352 F459	L344-L348 HydrophobicContact CD1-CD1 4.4Å; L344-L348 HydrophobicContact CD1-CG 4.26Å; L344-L348 HydrophobicContact CG-CD1 4.1Å; L344-L348 HydrophobicContact CG-CG 4.41Å; L344-L348 WeakPolarHBondContact O-CB 3.1Å; L344-L348 VanDerWaalsContact O-CG 3.23Å; L344-L348 WeakPolarHBondContact O-CG 3.49Å; L344-L348 PolarHBondContact O-N 2.71Å; F345-L348 PolarHBondContact O-N 3.35Å; L348-V350 VanDerWaalsContact C-N 3.33Å; L348-I351 HydrophobicContact CD2-CD1 4.42Å; L348-I351 PolarHBondContact O-N 2.97Å; L348-E352 WeakPolarHBondContact O-CB 3.34Å; L348-E352 PolarHBondContact O-N 2.92Å; L348-F459 HydrophobicContact CB-CE1 3.8Å; L348-F459 HydrophobicContact CB-CZ 4Å
349	S	90.9	Very high	91	Very high	2 Å²	2	47 Å²	47	1%	0.014	23%	0.234	C	C	.	.	H	α-helix	trans	-67.9	-34	174.5	79.8	0	0	0	0	112.1	S290 F345 V346 F347 Y353	S290-S349 WeakPolarHBondContact CB-OG 3.34Å; F345-S349 PolarHBondContact O-N 2.78Å; F345-S349 VanDerWaalsContact O-N 3.09Å; V346-S349 PolarHBondContact O-N 2.81Å; V346-S349 PolarHBondContact O-OG 2.83Å; F347-S349 VanDerWaalsContact C-N 3.3Å; F347-S349 PolarHBondContact O-N 3.14Å; S349-Y353 PolarHBondContact O-N 3.3Å; S349-Y353 VanDerWaalsContact O-N 3.08Å
350	V	91.8	Very high	90.4	Very high	40 Å²	40	47.8 Å²	47.8	24%	0.242	24%	0.239	C	C	.	.	H	α-helix	trans	-70.1	-40	174.1	178.6	0	0	0	0	111.4	V312 V346 F347 L348 E352 Y353 A354	V312-V350 HydrophobicContact CG2-CG2 3.82Å; V346-V350 PolarHBondContact O-N 3.33Å; F347-V350 PolarHBondContact O-N 3.02Å; L348-V350 VanDerWaalsContact C-N 3.33Å; V350-E352 VanDerWaalsContact C-N 3.33Å; V350-Y353 PolarHBondContact O-N 2.93Å; V350-A354 PolarHBondContact O-N 2.84Å
351	I	90.7	Very high	89.9	Confident	81 Å²	81	43.4 Å²	43.4	42%	0.415	23%	0.229	S	C	.	.	H	α-helix	trans	-62.5	-43.2	174.3	-71.1	169.7	0	0	0	110.8	F347 L348 Y353 A354 A355	F347-I351 HydrophobicContact CD1-CD1 3.6Å; F347-I351 HydrophobicContact CD1-CG1 4.4Å; F347-I351 HydrophobicContact CE1-CD1 3.29Å; F347-I351 HydrophobicContact CE1-CG1 4.12Å; F347-I351 HydrophobicContact CG-CD1 4.49Å; F347-I351 HydrophobicContact CZ-CD1 3.93Å; F347-I351 HydrophobicContact CZ-CG1 4.34Å; F347-I351 PolarHBondContact O-N 3.03Å; L348-I351 HydrophobicContact CD2-CD1 4.42Å; L348-I351 PolarHBondContact O-N 2.97Å; I351-Y353 VanDerWaalsContact C-N 3.32Å; I351-Y353 PolarHBondContact O-N 3.35Å; I351-A354 PolarHBondContact O-N 3.5Å; I351-A355 WeakPolarHBondContact O-CB 3.5Å; I351-A355 PolarHBondContact O-N 2.79Å
352	E	89.6	Confident	89.4	Confident	15 Å²	15	44.1 Å²	44.1	7%	0.07	23%	0.231	C	C	.	.	H	α-helix	trans	-56.5	-49.3	176	-171.3	-78.8	165.5	0	0	110.5	F294 L348 V350 A354 A355 V356 I451 S455	F294-E352 WeakPolarHBondContact CD1-OE2 3.47Å; F294-E352 HydrophobicContact CE1-CB 4.21Å; F294-E352 HydrophobicContact CE1-CG 3.99Å; F294-E352 WeakPolarHBondContact CE1-OE2 3.25Å; L348-E352 WeakPolarHBondContact O-CB 3.34Å; L348-E352 PolarHBondContact O-N 2.92Å; V350-E352 VanDerWaalsContact C-N 3.33Å; E352-A354 VanDerWaalsContact C-N 3.35Å; E352-A354 PolarHBondContact O-N 3.04Å; E352-A355 WeakPolarHBondContact O-CB 3.02Å; E352-A355 PolarHBondContact O-N 2.85Å; E352-A355 VanDerWaalsContact O-N 3.14Å; E352-V356 WeakPolarHBondContact O-CG2 3.47Å; E352-V356 PolarHBondContact O-N 2.91Å; E352-V356 WeakPolarHBondContact OE1-CG2 3.22Å; E352-I451 HydrophobicContact CG-CG2 4.44Å; E352-S455 WeakPolarHBondContact CG-OG 3.39Å; E352-S455 PolarHBondContact OE1-OG 2.94Å
353	Y	87.1	Confident	88.8	Confident	25 Å²	25	46.2 Å²	46.2	10%	0.098	24%	0.241	C	C	.	.	H	α-helix	trans	-58.1	-46.1	175.8	164.6	-102.9	0	0	0	112.3	V301 R304 V305 S349 V350 I351 A355 V356 N357	V301-Y353 VanDerWaalsContact CG1-OH 3.32Å; V301-Y353 WeakPolarHBondContact CG1-OH 3.4Å; R304-Y353 HydrophobicContact CB-CD2 3.75Å; R304-Y353 HydrophobicContact CB-CE2 3.67Å; R304-Y353 HydrophobicContact CB-CG 4.44Å; R304-Y353 HydrophobicContact CG-CD2 4.33Å; R304-Y353 HydrophobicContact CG-CE2 4.36Å; V305-Y353 HydrophobicContact CG2-CD1 4.44Å; V305-Y353 HydrophobicContact CG2-CE1 3.38Å; V305-Y353 VanDerWaalsContact CG2-OH 3.25Å; V305-Y353 WeakPolarHBondContact CG2-OH 3.41Å; S349-Y353 PolarHBondContact O-N 3.3Å; S349-Y353 VanDerWaalsContact O-N 3.08Å; V350-Y353 PolarHBondContact O-N 2.93Å; I351-Y353 VanDerWaalsContact C-N 3.32Å; I351-Y353 PolarHBondContact O-N 3.35Å; Y353-A355 VanDerWaalsContact C-N 3.29Å; Y353-A355 PolarHBondContact O-N 3.24Å; Y353-V356 PolarHBondContact O-N 2.7Å; Y353-N357 HydrophobicContact CE2-CB 4.32Å; Y353-N357 WeakPolarHBondContact O-CB 3.48Å; Y353-N357 PolarHBondContact O-N 2.77Å
354	A	88.2	Confident	88.1	Confident	54 Å²	54	48.7 Å²	48.7	45%	0.446	25%	0.253	S	S	.	.	H	α-helix	trans	-61.4	-39.9	178.2	0	0	0	0	0	111.7	V350 I351 E352 Y358	V350-A354 PolarHBondContact O-N 2.84Å; I351-A354 PolarHBondContact O-N 3.5Å; E352-A354 VanDerWaalsContact C-N 3.35Å; E352-A354 PolarHBondContact O-N 3.04Å; A354-Y358 WeakPolarHBondContact O-CB 3.42Å; A354-Y358 PolarHBondContact O-N 2.82Å
355	A	86.4	Confident	87.4	Confident	35 Å²	35	50.5 Å²	50.5	29%	0.289	26%	0.261	S	S	.	.	H	α-helix	trans	-64.9	-47.5	175.3	0	0	0	0	0	111.4	I351 E352 Y353 N357 Y358 F359	I351-A355 WeakPolarHBondContact O-CB 3.5Å; I351-A355 PolarHBondContact O-N 2.79Å; E352-A355 WeakPolarHBondContact O-CB 3.02Å; E352-A355 PolarHBondContact O-N 2.85Å; E352-A355 VanDerWaalsContact O-N 3.14Å; Y353-A355 VanDerWaalsContact C-N 3.29Å; Y353-A355 PolarHBondContact O-N 3.24Å; A355-N357 VanDerWaalsContact C-N 3.35Å; A355-N357 PolarHBondContact O-N 2.83Å; A355-Y358 PolarHBondContact O-N 2.92Å; A355-F359 HydrophobicContact CB-CD2 4.49Å; A355-F359 HydrophobicContact CB-CE2 4.27Å; A355-F359 WeakPolarHBondContact O-CD2 3.44Å; A355-F359 PolarHBondContact O-N 2.88Å
356	V	85.6	Confident	86.7	Confident	2 Å²	2	53.8 Å²	53.8	1%	0.012	28%	0.275	C	S	.	.	H	α-helix	trans	-59.2	-45.7	177.1	172	0	0	0	0	110.8	R298 E352 Y353 Y358 F359 T360 I451	R298-V356 HydrophobicContact CB-CG1 4.45Å; E352-V356 WeakPolarHBondContact O-CG2 3.47Å; E352-V356 PolarHBondContact O-N 2.91Å; E352-V356 WeakPolarHBondContact OE1-CG2 3.22Å; Y353-V356 PolarHBondContact O-N 2.7Å; V356-Y358 PolarHBondContact O-N 2.88Å; V356-F359 PolarHBondContact O-N 3.46Å; V356-T360 HydrophobicContact CG1-CG2 4.36Å; V356-T360 VanDerWaalsContact O-CG2 3.24Å; V356-T360 WeakPolarHBondContact O-CG2 3.34Å; V356-T360 PolarHBondContact O-N 3.09Å; V356-T360 PolarHBondContact O-OG1 3.23Å; V356-I451 HydrophobicContact CG2-CB 4.44Å; V356-I451 HydrophobicContact CG2-CG2 4Å
357	N	85.9	Confident	85.8	Confident	53 Å²	53	58.8 Å²	58.8	28%	0.283	30%	0.297	S	S	.	.	H	α-helix	trans	-65.1	-36.9	177.8	-171	50.9	0	0	0	112.7	Y353 A355 T360 T361	Y353-N357 HydrophobicContact CE2-CB 4.32Å; Y353-N357 WeakPolarHBondContact O-CB 3.48Å; Y353-N357 PolarHBondContact O-N 2.77Å; A355-N357 VanDerWaalsContact C-N 3.35Å; A355-N357 PolarHBondContact O-N 2.83Å; N357-T360 WeakPolarHBondContact CA-OG1 3.43Å; N357-T360 PolarHBondContact O-OG1 2.67Å; N357-T361 WeakPolarHBondContact O-CB 3.26Å; N357-T361 VanDerWaalsContact O-CG2 3.28Å; N357-T361 WeakPolarHBondContact O-CG2 3.44Å; N357-T361 PolarHBondContact O-N 2.88Å; N357-T361 VanDerWaalsContact O-N 3.08Å; N357-T361 PolarHBondContact O-OG1 2.9Å
358	Y	85.9	Confident	85	Confident	138 Å²	138	61 Å²	61	54%	0.541	31%	0.312	S	S	.	.	H	α-helix	trans	-66.1	-45.2	174.1	-179.5	-100.2	0	0	0	111.6	A354 A355 V356 T360 T361 V362	A354-Y358 WeakPolarHBondContact O-CB 3.42Å; A354-Y358 PolarHBondContact O-N 2.82Å; A355-Y358 PolarHBondContact O-N 2.92Å; V356-Y358 PolarHBondContact O-N 2.88Å; Y358-T360 PolarHBondContact O-N 2.79Å; Y358-T361 WeakPolarHBondContact CA-OG1 3.48Å; Y358-T361 PolarHBondContact O-OG1 2.8Å; Y358-V362 HydrophobicContact CD1-CG2 4.34Å; Y358-V362 HydrophobicContact CD2-CG2 4.5Å; Y358-V362 HydrophobicContact CE1-CG2 3.97Å; Y358-V362 HydrophobicContact CE2-CG2 4.14Å; Y358-V362 WeakPolarHBondContact O-CB 3.34Å; Y358-V362 VanDerWaalsContact O-CG2 3.23Å; Y358-V362 WeakPolarHBondContact O-CG2 3.43Å; Y358-V362 PolarHBondContact O-N 2.84Å
359	F	84.8	Confident	84	Confident	33 Å²	33	67 Å²	67	15%	0.145	34%	0.335	C	S	.	.	H	α-helix	trans	-66.5	-38.7	179	-71.8	-59.5	0	0	0	112.5	A355 V356 V362 E363 L441 I444 M445 I451	A355-F359 HydrophobicContact CB-CD2 4.49Å; A355-F359 HydrophobicContact CB-CE2 4.27Å; A355-F359 WeakPolarHBondContact O-CD2 3.44Å; A355-F359 PolarHBondContact O-N 2.88Å; V356-F359 PolarHBondContact O-N 3.46Å; F359-V362 PolarHBondContact O-N 3.39Å; F359-E363 WeakPolarHBondContact O-CB 3.19Å; F359-E363 PolarHBondContact O-N 3.08Å; F359-L441 HydrophobicContact CE1-CD1 4.32Å; F359-I444 HydrophobicContact CD1-CG2 4.32Å; F359-I444 HydrophobicContact CE1-CG2 3.64Å; F359-I444 HydrophobicContact CE2-CG2 4.05Å; F359-I444 HydrophobicContact CZ-CG2 3.5Å; F359-I444 VanDerWaalsContact CZ-CG2 3.5Å; F359-M445 HydrophobicContact CD1-CG 4.34Å; F359-I451 HydrophobicContact CD2-CD1 3.9Å; F359-I451 HydrophobicContact CE2-CD1 4.12Å
360	T	82.2	Confident	82.6	Confident	18 Å²	18	69.8 Å²	69.8	11%	0.11	37%	0.365	C	S	.	.	H	α-helix	trans	-64.9	-46.9	176.2	56.2	0	0	0	0	112.1	R298 V356 N357 Y358 V362 E363 E364	R298-T360 HydrophobicContact CG-CG2 4.4Å; V356-T360 HydrophobicContact CG1-CG2 4.36Å; V356-T360 VanDerWaalsContact O-CG2 3.24Å; V356-T360 WeakPolarHBondContact O-CG2 3.34Å; V356-T360 PolarHBondContact O-N 3.09Å; V356-T360 PolarHBondContact O-OG1 3.23Å; N357-T360 WeakPolarHBondContact CA-OG1 3.43Å; N357-T360 PolarHBondContact O-OG1 2.67Å; Y358-T360 PolarHBondContact O-N 2.79Å; T360-V362 VanDerWaalsContact C-N 3.32Å; T360-V362 PolarHBondContact O-N 2.83Å; T360-E363 WeakPolarHBondContact O-CB 3.35Å; T360-E363 PolarHBondContact O-N 2.86Å; T360-E363 VanDerWaalsContact O-N 3.12Å; T360-E364 WeakPolarHBondContact O-CG 3.31Å; T360-E364 PolarHBondContact O-N 3.03Å
361	T	84	Confident	80.8	Confident	65 Å²	65	70.2 Å²	70.2	40%	0.399	38%	0.377	S	S	.	.	H	α-helix	trans	-61.7	-39.5	178.1	49.5	0	0	0	0	111.9	N357 Y358 E364 M365	N357-T361 WeakPolarHBondContact O-CB 3.26Å; N357-T361 VanDerWaalsContact O-CG2 3.28Å; N357-T361 WeakPolarHBondContact O-CG2 3.44Å; N357-T361 PolarHBondContact O-N 2.88Å; N357-T361 VanDerWaalsContact O-N 3.08Å; N357-T361 PolarHBondContact O-OG1 2.9Å; Y358-T361 WeakPolarHBondContact CA-OG1 3.48Å; Y358-T361 PolarHBondContact O-OG1 2.8Å; T361-E364 PolarHBondContact O-N 2.82Å; T361-M365 WeakPolarHBondContact O-CB 3.35Å; T361-M365 WeakPolarHBondContact O-CG 3.33Å; T361-M365 PolarHBondContact O-N 2.78Å
362	V	84.1	Confident	78.6	Confident	32 Å²	32	75.9 Å²	75.9	19%	0.194	40%	0.399	C	S	.	.	H	α-helix	trans	-66.1	-37.1	174.4	174	0	0	0	0	112	Y358 F359 T360 K366 M445	Y358-V362 HydrophobicContact CD1-CG2 4.34Å; Y358-V362 HydrophobicContact CD2-CG2 4.5Å; Y358-V362 HydrophobicContact CE1-CG2 3.97Å; Y358-V362 HydrophobicContact CE2-CG2 4.14Å; Y358-V362 WeakPolarHBondContact O-CB 3.34Å; Y358-V362 VanDerWaalsContact O-CG2 3.23Å; Y358-V362 WeakPolarHBondContact O-CG2 3.43Å; Y358-V362 PolarHBondContact O-N 2.84Å; F359-V362 PolarHBondContact O-N 3.39Å; T360-V362 VanDerWaalsContact C-N 3.32Å; T360-V362 PolarHBondContact O-N 2.83Å; V362-K366 WeakPolarHBondContact O-CG 3.46Å; V362-K366 PolarHBondContact O-N 3.01Å; V362-M445 HydrophobicContact CG1-CE 3.93Å; V362-M445 HydrophobicContact CG1-SD 3.63Å
363	E	81.5	Confident	76.5	Confident	45 Å²	45	82.5 Å²	82.5	21%	0.21	43%	0.433	C	S	.	.	H	α-helix	trans	-63.9	-47.3	175.6	-162.6	-166.2	144.1	0	0	111.6	R298 F359 T360 M365 K366 K367 M445	R298-E363 IonicContact NH1-OE2 2.8Å; F359-E363 WeakPolarHBondContact O-CB 3.19Å; F359-E363 PolarHBondContact O-N 3.08Å; T360-E363 WeakPolarHBondContact O-CB 3.35Å; T360-E363 PolarHBondContact O-N 2.86Å; T360-E363 VanDerWaalsContact O-N 3.12Å; E363-M365 PolarHBondContact O-N 2.73Å; E363-K366 PolarHBondContact O-N 3.34Å; E363-K366 VanDerWaalsContact O-N 3.13Å; E363-K367 PolarHBondContact O-N 2.84Å; E363-K367 WeakPolarHBondContact OE1-CE 3.41Å; E363-K367 IonicContact OE1-NZ 3.74Å; E363-K367 PolarHBondContact OE1-NZ 2.79Å; E363-M445 HydrophobicContact CB-CE 4.17Å; E363-M445 HydrophobicContact CG-CE 4.4Å
364	E	81.3	Confident	74.3	Confident	97 Å²	97	86.3 Å²	86.3	45%	0.453	46%	0.461	S	S	.	.	H	α-helix	trans	-61.8	-43	176.9	-67.6	-58.5	123.6	0	0	111.5	T360 T361 K366 K367 L368	T360-E364 WeakPolarHBondContact O-CG 3.31Å; T360-E364 PolarHBondContact O-N 3.03Å; T361-E364 PolarHBondContact O-N 2.82Å; E364-K366 VanDerWaalsContact C-N 3.28Å; E364-K366 PolarHBondContact O-N 2.95Å; E364-K367 PolarHBondContact O-N 3.16Å; E364-K367 IonicContact OE1-NZ 3.87Å; E364-K367 PolarHBondContact OE1-NZ 2.87Å; E364-L368 PolarHBondContact O-N 2.85Å
365	M	80.1	Confident	72.3	Confident	132 Å²	132	88.1 Å²	88.1	65%	0.65	48%	0.476	S	S	*	.	H	α-helix	trans	-61	-33.8	174.2	-72	-79.3	-175	0	0	113	T361 E363 K369	T361-M365 WeakPolarHBondContact O-CB 3.35Å; T361-M365 WeakPolarHBondContact O-CG 3.33Å; T361-M365 PolarHBondContact O-N 2.78Å; E363-M365 PolarHBondContact O-N 2.73Å; M365-K369 PolarHBondContact O-N 2.93Å
366	K	79.1	Confident	70.4	Confident	100 Å²	100	93.6 Å²	93.6	44%	0.435	50%	0.5	S	S	.	.	H	α-helix	trans	-74.5	-37.4	174.9	-75.2	-165.5	-163.7	173	0	112.4	V362 E363 E364 L368 K369 G370 M445	V362-K366 WeakPolarHBondContact O-CG 3.46Å; V362-K366 PolarHBondContact O-N 3.01Å; E363-K366 PolarHBondContact O-N 3.34Å; E363-K366 VanDerWaalsContact O-N 3.13Å; E364-K366 VanDerWaalsContact C-N 3.28Å; E364-K366 PolarHBondContact O-N 2.95Å; K366-L368 VanDerWaalsContact C-N 3.33Å; K366-K369 PolarHBondContact O-N 3.5Å; K366-G370 PolarHBondContact O-N 2.82Å; K366-M445 HydrophobicContact CD-CE 3.47Å; K366-M445 VanDerWaalsContact CD-CE 3.47Å; K366-M445 HydrophobicContact CD-SD 4.16Å; K366-M445 VanDerWaalsContact CE-CE 3.46Å; K366-M445 WeakPolarHBondContact CE-SD 3.38Å; K366-M445 HydrophobicContact CG-CE 4.19Å; K366-M445 PolarHBondContact NZ-SD 3.35Å
367	K	77.2	Confident	68.4	Low	104 Å²	104	102.1 Å²	102.1	45%	0.452	54%	0.538	S	S	.	.	H	α-helix	trans	-61.1	-43.1	173.3	-71.2	175.2	-170.6	156.3	0	110.9	E363 E364 K369 G370 G371	E363-K367 PolarHBondContact O-N 2.84Å; E363-K367 WeakPolarHBondContact OE1-CE 3.41Å; E363-K367 IonicContact OE1-NZ 3.74Å; E363-K367 PolarHBondContact OE1-NZ 2.79Å; E364-K367 PolarHBondContact O-N 3.16Å; E364-K367 IonicContact OE1-NZ 3.87Å; E364-K367 PolarHBondContact OE1-NZ 2.87Å; K367-K369 VanDerWaalsContact C-N 3.32Å; K367-K369 PolarHBondContact O-N 2.91Å; K367-G370 PolarHBondContact O-N 2.71Å; K367-G371 PolarHBondContact O-N 2.68Å
368	L	76	Confident	66.3	Low	141 Å²	141	105.9 Å²	105.9	74%	0.738	56%	0.558	S	S	*	*	H	α-helix	trans	-59.9	-38.2	174.6	-114.1	76.5	0	0	0	113.1	E364 K366	E364-L368 PolarHBondContact O-N 2.85Å; K366-L368 VanDerWaalsContact C-N 3.33Å
369	K	72.5	Confident	64.3	Low	194 Å²	194	103.1 Å²	103.1	84%	0.843	56%	0.563	S	S	*	*	H	α-helix	trans	-79.7	-20.6	176.5	-82.2	-178.7	175.7	176.4	0	114.5	M365 K366 K367	M365-K369 PolarHBondContact O-N 2.93Å; K366-K369 PolarHBondContact O-N 3.5Å; K367-K369 VanDerWaalsContact C-N 3.32Å; K367-K369 PolarHBondContact O-N 2.91Å
370	G	61.1	Low	62.4	Low	61 Å²	61	107.2 Å²	107.2	63%	0.629	59%	0.591	S	S	*	*	H	α-helix	trans	-90.3	-19.7	-179.7	0	0	0	0	0	114.2	K366 K367 K372	K366-G370 PolarHBondContact O-N 2.82Å; K367-G370 PolarHBondContact O-N 2.71Å; G370-K372 PolarHBondContact O-N 3.26Å; G370-K372 VanDerWaalsContact O-N 3.17Å
371	G	53.5	Low	60.5	Low	49 Å²	49	112.7 Å²	112.7	51%	0.505	62%	0.615	S	S	.	*	S	Bend	trans	-69.4	103.7	168.4	0	0	0	0	0	110.3	K367 I373	K367-G371 PolarHBondContact O-N 2.68Å; G371-I373 PolarHBondContact O-N 2.84Å
372	K	45.6	Very low	58.6	Low	201 Å²	201	115 Å²	115	87%	0.874	63%	0.629	S	S	*	*			trans	-58.2	119.8	162.8	-76.2	178.7	177.6	178.2	0	107.6	G370 P374	G370-K372 PolarHBondContact O-N 3.26Å; G370-K372 VanDerWaalsContact O-N 3.17Å; K372-P374 VanDerWaalsContact O-CD 3.28Å; K372-P374 WeakPolarHBondContact O-CD 3.31Å
373	I	45.4	Very low	56.8	Low	154 Å²	154	121.9 Å²	121.9	79%	0.79	66%	0.662	S	S	*	*			trans	-52.5	118.2	160.6	-61.8	170.4	0	0	0	106.3	G371 A375	G371-I373 PolarHBondContact O-N 2.84Å; I373-A375 PolarHBondContact O-N 3.4Å; I373-A375 VanDerWaalsContact O-N 3.11Å
374	P	39.5	Very low	55	Low	105 Å²	105	123.8 Å²	123.8	68%	0.682	69%	0.686	S	S	*	*			trans	-61.9	115.2	162.5	-11.1	26.5	0	0	0	105.8	K372 D376	K372-P374 VanDerWaalsContact O-CD 3.28Å; K372-P374 WeakPolarHBondContact O-CD 3.31Å; P374-D376 PolarHBondContact O-N 3.45Å
375	A	46	Very low	52.8	Low	92 Å²	92	128.2 Å²	128.2	76%	0.76	70%	0.703	S	S	*	*	S	Bend	trans	-67.8	82.3	169.5	0	0	0	0	0	107.5	I373	I373-A375 PolarHBondContact O-N 3.4Å; I373-A375 VanDerWaalsContact O-N 3.11Å
376	D	47.1	Very low	50.9	Low	150 Å²	150	130 Å²	130	80%	0.802	72%	0.716	S	S	*	*			trans	170.8	75.5	155.4	-89.2	-14.3	0	0	0	108	P374	P374-D376 PolarHBondContact O-N 3.45Å
377	F	43.8	Very low	49	Very low	181 Å²	181	128.5 Å²	128.5	79%	0.794	73%	0.729	S	S	*	*			trans	-151.5	129.2	159.9	-126.7	-91.7	0	0	0	110.9
378	N	42.2	Very low	47.2	Very low	132 Å²	132	129 Å²	129	71%	0.706	74%	0.744	S	S	*	*			trans	-64.8	133.1	-165.1	-128.4	-17.4	0	0	0	112.4	T380	N378-T380 PolarHBondContact O-N 3.41Å
379	A	43.4	Very low	45.2	Very low	80 Å²	80	133.6 Å²	133.6	66%	0.661	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	11.5	-173	0	0	0	0	0	115.6
380	T	44.4	Very low	43.3	Very low	118 Å²	118	133.5 Å²	133.5	72%	0.724	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	-11.8	179	40.8	0	0	0	0	113.7	N378	N378-T380 PolarHBondContact O-N 3.41Å
381	Q	43.5	Very low	41.9	Very low	133 Å²	133	137 Å²	137	62%	0.621	76%	0.76	S	S	*	*	S	Bend	trans	-98.3	-7.1	-177.4	-157.8	165.9	24.9	0	0	114.6
382	T	44	Very low	40.8	Very low	113 Å²	113	142 Å²	142	69%	0.693	78%	0.775	S	S	*	*	G	3₁₀ helix	trans	-84	-11.9	179.1	40.4	0	0	0	0	114.3	A384	T382-A384 VanDerWaalsContact C-N 3.33Å
383	M	45	Very low	40.1	Very low	177 Å²	177	139.7 Å²	139.7	87%	0.872	77%	0.772	S	S	*	*	G	3₁₀ helix	trans	-87	1.5	174.1	-67.4	-150.5	-90.4	0	0	114
384	A	43.1	Very low	39.3	Very low	86 Å²	86	139.3 Å²	139.3	71%	0.711	77%	0.771	S	S	*	*	G	3₁₀ helix	trans	-102.5	-0.1	-177.6	0	0	0	0	0	114.9	T382	T382-A384 VanDerWaalsContact C-N 3.33Å
385	F	37	Very low	38.7	Very low	189 Å²	189	140.9 Å²	140.9	83%	0.829	77%	0.773	S	S	*	*	S	Bend	trans	-115.6	0.4	-173.6	-161.6	-101.9	0	0	0	115.1	G387	F385-G387 PolarHBondContact O-N 3.46Å
386	D	40.2	Very low	38	Very low	169 Å²	169	143.8 Å²	143.8	90%	0.904	78%	0.775	S	S	*	*	S	Bend	trans	-86.1	12.3	177.4	-141.3	20.5	0	0	0	113.1
387	G	37.3	Very low	37	Very low	70 Å²	70	142.4 Å²	142.4	72%	0.722	77%	0.772	S	S	*	*			trans	-119	60.5	-174.4	0	0	0	0	0	113	F385	F385-G387 PolarHBondContact O-N 3.46Å
388	C	40.9	Very low	36.3	Very low	114 Å²	114	139.9 Å²	139.9	77%	0.77	77%	0.774	S	S	*	*			trans	-157.1	78.7	162.5	-143.3	0	0	0	0	111.6
389	Y	32.9	Very low	35.5	Very low	237 Å²	237	142.8 Å²	142.8	93%	0.929	78%	0.781	S	S	*	*			trans	-174.2	73.9	142.9	-98.4	-69.3	0	0	0	107.7
390	H	33.5	Very low	35.2	Very low	192 Å²	192	143.9 Å²	143.9	89%	0.889	78%	0.781	S	S	*	*			trans	-127.6	107.1	153.5	-119.5	-49.9	0	0	0	106
391	D	31.7	Very low	34.2	Very low	135 Å²	135	146.1 Å²	146.1	72%	0.722	78%	0.783	S	S	*	*			trans	-83.7	127.1	165.4	-157.9	3.7	0	0	0	107
392	N	30.2	Very low	33.4	Very low	155 Å²	155	145.9 Å²	145.9	83%	0.829	79%	0.786	S	S	*	*			trans	168.3	98.8	146.2	-81.8	-13.9	0	0	0	108.4
393	D	29.8	Very low	32.6	Very low	151 Å²	151	147.6 Å²	147.6	81%	0.807	79%	0.79	S	S	*	*			trans	-71.7	161.7	162.9	-94	-35.4	0	0	0	111.6
394	I	30	Very low	31.6	Very low	147 Å²	147	144.8 Å²	144.8	75%	0.754	79%	0.788	S	S	*	*			trans	100.6	85.1	166.7	-49	161.2	0	0	0	114.1
395	D	27.4	Very low	30.7	Very low	138 Å²	138	146.7 Å²	146.7	74%	0.738	79%	0.791	S	S	*	*				-172.7	139.3	95.5	-104.3	-26.8	0	0	0	114.4
396	L	30.6	Very low	31	Very low	152 Å²	152	142.2 Å²	142.2	80%	0.796	78%	0.781	S	S	*	*			trans	-2.8	132.3	172.6	-74	87.5	0	0	0	122.9
397	T	26.4	Very low	30.3	Very low	122 Å²	122	140.9 Å²	140.9	75%	0.748	77%	0.773	S	S	*	*			trans	-56.4	152.5	150.1	52.6	0	0	0	0	112.6
398	P	28.2	Very low	29.8	Very low	127 Å²	127	143.2 Å²	143.2	83%	0.825	77%	0.774	S	S	*	*				-145.1	151.4	73.6	28.3	-5	0	0	0	117.8
399	F	26.4	Very low	29.1	Very low	194 Å²	194	146 Å²	146	85%	0.851	78%	0.775	S	S	*	*			trans	-58.8	169.2	162	-94.8	-92.1	0	0	0	112.2
400	P	36	Very low	28.9	Very low	103 Å²	103	145.2 Å²	145.2	67%	0.669	77%	0.771	S	S	*	*			cis	-151	174.7	36.2	39.9	-16.5	0	0	0	120.3
401	E	24.6	Very low	28.4	Very low	165 Å²	165	140.7 Å²	140.7	77%	0.771	76%	0.76	S	S	*	*			trans	59.5	151.9	142.9	-78.2	-179.6	160.1	0	0	120.9
402	L	25.2	Very low	28.3	Very low	128 Å²	128	145.8 Å²	145.8	67%	0.67	77%	0.77	S	S	*	*			cis	-167.8	152.2	-0.4	-121.8	153.3	0	0	0	108
403	L	27.3	Very low	28	Very low	148 Å²	148	145 Å²	145	78%	0.775	77%	0.771	S	S	*	*			trans	22.2	130.2	153.8	-115.8	82	0	0	0	121.9
404	S	24.3	Very low	28	Very low	119 Å²	119	141.9 Å²	141.9	83%	0.832	77%	0.766	S	S	*	*				-172.1	136.3	114.7	32	0	0	0	0	112.3
405	T	24.4	Very low	27.8	Very low	126 Å²	126	141 Å²	141	77%	0.773	77%	0.767	S	S	*	*			trans	-76.1	-166	169.3	48.1	0	0	0	0	110.6
406	P	43.3	Very low	27.8	Very low	95 Å²	95	139 Å²	139	62%	0.617	76%	0.764	S	S	*	*				-126.3	177	-60.3	31.9	-14	0	0	0	111.1
407	N	25.9	Very low	27.6	Very low	140 Å²	140	142.4 Å²	142.4	75%	0.749	77%	0.766	S	S	*	*				156.2	126.5	129.6	-80	-27.3	0	0	0	115
408	T	26.6	Very low	27.6	Very low	119 Å²	119	143.5 Å²	143.5	73%	0.73	77%	0.768	S	S	*	*				40.2	118.1	121.5	-35.3	0	0	0	0	119.6
409	E	25.8	Very low	27.6	Very low	173 Å²	173	143 Å²	143	81%	0.808	77%	0.768	S	S	*	*				179.1	112.2	110.5	-96	-173.6	161.6	0	0	114
410	R	28.2	Very low	27.7	Very low	221 Å²	221	139.2 Å²	139.2	83%	0.834	77%	0.772	S	S	*	*				56.9	115.9	115.1	-156.2	164.8	-167.2	-176.3	3.3	122
411	S	24.7	Very low	27.3	Very low	96 Å²	96	138.8 Å²	138.8	67%	0.671	78%	0.777	S	S	*	*			trans	76.2	123.5	135.5	-71.3	0	0	0	0	121.6
412	R	28.4	Very low	27.4	Very low	243 Å²	243	139.9 Å²	139.9	92%	0.917	78%	0.782	S	S	*	*				-170.9	129.9	98.3	-96.8	169.2	-177.7	174.8	2	112.8
413	T	25.3	Very low	28.1	Very low	139 Å²	139	139.1 Å²	139.1	85%	0.853	79%	0.785	S	S	*	*			trans	-56.7	162.3	160.2	43.1	0	0	0	0	111.9
414	A	28	Very low	29.1	Very low	85 Å²	85	137.6 Å²	137.6	70%	0.702	78%	0.784	S	S	*	*			cis	-168.5	160.2	36.6	0	0	0	0	0	107.8
415	T	27.3	Very low	29.9	Very low	128 Å²	128	137.1 Å²	137.1	79%	0.785	78%	0.778	S	S	*	*				160	111.7	78.8	-51	0	0	0	0	105.3
416	S	26.3	Very low	30.2	Very low	96 Å²	96	138.1 Å²	138.1	67%	0.671	78%	0.784	S	S	*	*				86.3	129	87	-158.8	0	0	0	0	118.1
417	R	26.9	Very low	29.5	Very low	223 Å²	223	143.1 Å²	143.1	84%	0.842	80%	0.799	S	S	*	*			trans	100.4	99.7	145.4	-82.5	162.7	-177.8	-173.9	0.5	123.2
418	N	27.5	Very low	29.6	Very low	145 Å²	145	139.6 Å²	139.6	78%	0.775	80%	0.796	S	S	*	*				44.1	118.8	110.9	-61.5	4.4	0	0	0	123.8
419	S	27.4	Very low	29.8	Very low	118 Å²	118	140.6 Å²	140.6	83%	0.825	80%	0.802	S	S	*	*				49	128.4	116.9	-34.9	0	0	0	0	123.7
420	A	27.5	Very low	30.1	Very low	113 Å²	113	143.6 Å²	143.6	93%	0.934	81%	0.806	S	S	*	*			trans	-171.3	156.9	139.1	0	0	0	0	0	112.7
421	A	28.2	Very low	30.6	Very low	94 Å²	94	141.9 Å²	141.9	78%	0.777	81%	0.812	S	S	*	*			trans	-119.9	150	-161.2	0	0	0	0	0	115.8
422	E	26	Very low	31.5	Very low	188 Å²	188	148.3 Å²	148.3	88%	0.879	82%	0.822	S	S	*	*			trans	59.8	161.2	141.6	-99.3	-175.7	-177.6	0	0	124
423	P	40.8	Very low	32	Very low	113 Å²	113	148.3 Å²	148.3	73%	0.734	82%	0.822	S	S	*	*			cis	-138.8	-146.9	-5.2	47.4	-25.2	0	0	0	115.5
424	P	48.3	Very low	32.6	Very low	115 Å²	115	150.7 Å²	150.7	75%	0.747	82%	0.821	S	S	*	*			trans	-113.9	-154.5	-138	38.4	-12.8	0	0	0	113.9
425	P	41.8	Very low	33.3	Very low	109 Å²	109	155.6 Å²	155.6	71%	0.708	83%	0.826	S	S	*	*			cis	-133.9	173.8	-9.1	41.5	-23.9	0	0	0	115.3
426	T	29.5	Very low	33.9	Very low	148 Å²	148	154 Å²	154	91%	0.908	82%	0.82	S	S	*	*			trans	-174.7	145.3	136.5	13.1	0	0	0	0	113.9
427	E	29.9	Very low	34.9	Very low	199 Å²	199	156 Å²	156	93%	0.93	82%	0.822	S	S	*	*			trans	-64.1	152.5	-174.2	-65.4	173.8	119.3	0	0	115.4
428	G	27.6	Very low	35.9	Very low	67 Å²	67	153 Å²	153	69%	0.691	82%	0.815	S	S	*	*			trans	-177.8	82.2	170.7	0	0	0	0	0	116
429	T	30.3	Very low	36.8	Very low	140 Å²	140	152.2 Å²	152.2	86%	0.859	81%	0.806	S	S	*	*			trans	57.1	102.2	146.8	50.3	0	0	0	0	121.5	L431	T429-L431 PolarHBondContact O-N 2.99Å
430	R	32.9	Very low	37.8	Very low	236 Å²	236	151.5 Å²	151.5	89%	0.891	79%	0.793	S	S	*	*			trans	-10.4	110.3	149	-68.9	176.1	172	177.6	-1.7	118	R432	R430-R432 PolarHBondContact O-N 3.02Å
431	L	37.6	Very low	38.9	Very low	184 Å²	184	149.1 Å²	149.1	96%	0.963	76%	0.764	S	S	*	*			trans	-78.8	85.3	155.3	-87.5	159.2	0	0	0	111.1	T429	T429-L431 PolarHBondContact O-N 2.99Å
432	R	44.3	Very low	39.9	Very low	231 Å²	231	147.2 Å²	147.2	87%	0.872	75%	0.745	S	S	*	*			trans	-109.2	67.1	169.3	-168.2	-178.6	175.8	177.9	-1.2	110.8	R430	R430-R432 PolarHBondContact O-N 3.02Å
433	R	37.7	Very low	41.1	Very low	243 Å²	243	144.7 Å²	144.7	92%	0.917	73%	0.732	S	S	*	*			trans	-158.4	47	167.8	-145.9	178.3	-156.7	158.2	4.8	114.9
434	K	39.6	Very low	41.6	Very low	189 Å²	189	142.8 Å²	142.8	82%	0.822	72%	0.715	S	S	*	*	S	Bend	trans	-126.7	-0.3	173.7	-115.6	178.7	-178.9	176.3	0	115.5
435	K	42.9	Very low	41.6	Very low	189 Å²	189	138.2 Å²	138.2	82%	0.822	68%	0.684	S	S	*	*	H	α-helix	trans	-87.5	-27.1	-178.1	-85.5	-175.5	174.6	-178.2	0	114.9	K438 H439	K435-K438 PolarHBondContact O-N 3.04Å; K435-H439 PolarHBondContact O-N 2.74Å
436	S	38.1	Very low	42	Very low	94 Å²	94	137.4 Å²	137.4	66%	0.657	68%	0.681	S	S	*	*	H	α-helix	trans	-71.8	-39.9	-174.3	-157.5	0	0	0	0	113.6	H439 N440	S436-H439 PolarHBondContact O-N 3.21Å; S436-N440 PolarHBondContact O-N 3Å
437	I	47.1	Very low	43.3	Very low	139 Å²	139	133 Å²	133	71%	0.713	65%	0.651	S	S	*	*	H	α-helix	trans	-71	-36.1	177.5	-62	172.9	0	0	0	110.6	H439 N440 L441	I437-H439 VanDerWaalsContact C-N 3.3Å; I437-H439 PolarHBondContact O-N 2.79Å; I437-N440 PolarHBondContact O-N 2.82Å; I437-L441 VanDerWaalsContact O-CB 3.3Å; I437-L441 WeakPolarHBondContact O-CB 3.21Å; I437-L441 PolarHBondContact O-N 2.7Å
438	K	49	Very low	44.6	Very low	158 Å²	158	123.7 Å²	123.7	69%	0.687	61%	0.608	S	S	*	*	H	α-helix	trans	-63.9	-33.2	177.8	-109	-175.2	176.8	-175.1	0	113.1	K435 S442	K435-K438 PolarHBondContact O-N 3.04Å; K438-S442 WeakPolarHBondContact O-CB 3.34Å; K438-S442 PolarHBondContact O-N 2.73Å; K438-S442 PolarHBondContact O-OG 3.08Å
439	H	45.5	Very low	46.3	Very low	129 Å²	129	128.7 Å²	128.7	60%	0.597	61%	0.607	S	S	*	*	H	α-helix	trans	-74.9	-41.6	179.5	-167.6	-87.8	0	0	0	112.2	K435 S436 I437 L441 S442 F443	K435-H439 PolarHBondContact O-N 2.74Å; S436-H439 PolarHBondContact O-N 3.21Å; I437-H439 VanDerWaalsContact C-N 3.3Å; I437-H439 PolarHBondContact O-N 2.79Å; H439-L441 VanDerWaalsContact C-N 3.35Å; H439-S442 WeakPolarHBondContact CA-OG 3.46Å; H439-S442 PolarHBondContact O-N 2.86Å; H439-S442 PolarHBondContact O-OG 2.97Å; H439-F443 WeakPolarHBondContact O-CB 3.48Å; H439-F443 PolarHBondContact O-N 2.9Å
440	N	48.9	Very low	48.2	Very low	103 Å²	103	125.2 Å²	125.2	55%	0.551	58%	0.582	S	S	*	*	H	α-helix	trans	-67.1	-37.2	173.7	-73.8	-0.8	0	0	0	111.6	S436 I437 F443 I444	S436-N440 PolarHBondContact O-N 3Å; I437-N440 PolarHBondContact O-N 2.82Å; N440-F443 PolarHBondContact O-N 2.82Å; N440-I444 VanDerWaalsContact O-CG1 3.3Å; N440-I444 WeakPolarHBondContact O-CG1 3.32Å; N440-I444 PolarHBondContact O-N 2.8Å
441	L	51.9	Low	50.2	Low	63 Å²	63	116 Å²	116	33%	0.33	55%	0.55	S	S	.	*	H	α-helix	trans	-71.3	-32	175.7	-157.4	79	0	0	0	112.5	F359 I437 H439 M445	F359-L441 HydrophobicContact CE1-CD1 4.32Å; I437-L441 VanDerWaalsContact O-CB 3.3Å; I437-L441 WeakPolarHBondContact O-CB 3.21Å; I437-L441 PolarHBondContact O-N 2.7Å; H439-L441 VanDerWaalsContact C-N 3.35Å; L441-M445 VanDerWaalsContact O-CB 3.28Å; L441-M445 WeakPolarHBondContact O-CB 3.28Å; L441-M445 VanDerWaalsContact O-CG 3.29Å; L441-M445 WeakPolarHBondContact O-CG 3.37Å; L441-M445 PolarHBondContact O-N 2.89Å
442	S	48.2	Very low	52.2	Low	54 Å²	54	107.9 Å²	107.9	38%	0.378	51%	0.508	S	S	.	.	H	α-helix	trans	-73	-33.2	174.3	63.9	0	0	0	0	112.9	K438 H439 M445 S446	K438-S442 WeakPolarHBondContact O-CB 3.34Å; K438-S442 PolarHBondContact O-N 2.73Å; K438-S442 PolarHBondContact O-OG 3.08Å; H439-S442 WeakPolarHBondContact CA-OG 3.46Å; H439-S442 PolarHBondContact O-N 2.86Å; H439-S442 PolarHBondContact O-OG 2.97Å; S442-M445 PolarHBondContact O-N 2.89Å; S442-S446 PolarHBondContact O-N 2.83Å
443	F	50.8	Low	53.9	Low	136 Å²	136	99 Å²	99	60%	0.596	48%	0.482	S	S	*	.	H	α-helix	trans	-69	-39.8	174	-175	-99.3	0	0	0	111.9	H439 N440 M445 S446	H439-F443 WeakPolarHBondContact O-CB 3.48Å; H439-F443 PolarHBondContact O-N 2.9Å; N440-F443 PolarHBondContact O-N 2.82Å; F443-M445 VanDerWaalsContact C-N 3.31Å; F443-S446 PolarHBondContact O-OG 3.06Å
444	I	50.9	Low	56.1	Low	73 Å²	73	94.5 Å²	94.5	37%	0.374	47%	0.466	S	S	.	.	H	α-helix	trans	-67.5	-33.6	172.3	-65.2	166.4	0	0	0	110.9	F359 N440 S446 N447	F359-I444 HydrophobicContact CD1-CG2 4.32Å; F359-I444 HydrophobicContact CE1-CG2 3.64Å; F359-I444 HydrophobicContact CE2-CG2 4.05Å; F359-I444 HydrophobicContact CZ-CG2 3.5Å; F359-I444 VanDerWaalsContact CZ-CG2 3.5Å; N440-I444 VanDerWaalsContact O-CG1 3.3Å; N440-I444 WeakPolarHBondContact O-CG1 3.32Å; N440-I444 PolarHBondContact O-N 2.8Å; I444-S446 PolarHBondContact O-N 3.14Å; I444-N447 WeakPolarHBondContact O-CB 3.21Å; I444-N447 PolarHBondContact O-N 2.75Å; I444-N447 VanDerWaalsContact O-N 3.08Å
445	M	49.3	Very low	58.4	Low	19 Å²	19	86.1 Å²	86.1	9%	0.094	43%	0.431	C	S	.	.	H	α-helix	trans	-70.2	-25.2	-178.7	-91.5	-179.8	68.4	0	0	116	F359 V362 E363 K366 L441 S442 F443 N447	F359-M445 HydrophobicContact CD1-CG 4.34Å; V362-M445 HydrophobicContact CG1-CE 3.93Å; V362-M445 HydrophobicContact CG1-SD 3.63Å; E363-M445 HydrophobicContact CB-CE 4.17Å; E363-M445 HydrophobicContact CG-CE 4.4Å; K366-M445 HydrophobicContact CD-CE 3.47Å; K366-M445 VanDerWaalsContact CD-CE 3.47Å; K366-M445 HydrophobicContact CD-SD 4.16Å; K366-M445 VanDerWaalsContact CE-CE 3.46Å; K366-M445 WeakPolarHBondContact CE-SD 3.38Å; K366-M445 HydrophobicContact CG-CE 4.19Å; K366-M445 PolarHBondContact NZ-SD 3.35Å; L441-M445 VanDerWaalsContact O-CB 3.28Å; L441-M445 WeakPolarHBondContact O-CB 3.28Å; L441-M445 VanDerWaalsContact O-CG 3.29Å; L441-M445 WeakPolarHBondContact O-CG 3.37Å; L441-M445 PolarHBondContact O-N 2.89Å; S442-M445 PolarHBondContact O-N 2.89Å; F443-M445 VanDerWaalsContact C-N 3.31Å; M445-N447 PolarHBondContact O-N 3.45Å
446	S	51.2	Low	60.6	Low	92 Å²	92	80.9 Å²	80.9	64%	0.643	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-8.2	170.9	72.4	0	0	0	0	112.5	S442 F443 I444	S442-S446 PolarHBondContact O-N 2.83Å; F443-S446 PolarHBondContact O-OG 3.06Å; I444-S446 PolarHBondContact O-N 3.14Å
447	N	54.9	Low	63	Low	54 Å²	54	80.9 Å²	80.9	29%	0.289	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	12.1	-172.2	-84.2	7.9	0	0	0	113.9	I444 M445 Y449 M450 I451	I444-N447 WeakPolarHBondContact O-CB 3.21Å; I444-N447 PolarHBondContact O-N 2.75Å; I444-N447 VanDerWaalsContact O-N 3.08Å; M445-N447 PolarHBondContact O-N 3.45Å; N447-Y449 PolarHBondContact O-N 2.72Å; N447-Y449 VanDerWaalsContact O-N 3.11Å; N447-M450 HydrophobicContact CB-CB 4.05Å; N447-M450 HydrophobicContact CB-CG 4.27Å; N447-M450 WeakPolarHBondContact O-CA 3.38Å; N447-M450 WeakPolarHBondContact O-CB 3.27Å; N447-M450 PolarHBondContact O-N 3.28Å; N447-I451 PolarHBondContact O-N 3.42Å; N447-I451 VanDerWaalsContact O-N 3.1Å
448	S	57.7	Low	65	Low	4 Å²	4	77.8 Å²	77.8	3%	0.028	39%	0.389	C	S	.	.	H	α-helix	trans	-53.2	-34.9	177.5	-62	0	0	0	0	113.1
449	Y	64.3	Low	67.1	Low	172 Å²	172	71.5 Å²	71.5	68%	0.675	36%	0.362	S	S	*	.	H	α-helix	trans	-73.6	-30.5	173.6	179.1	-100.1	0	0	0	113.3	N447 I451 S453	N447-Y449 PolarHBondContact O-N 2.72Å; N447-Y449 VanDerWaalsContact O-N 3.11Å; Y449-I451 VanDerWaalsContact C-N 3.35Å; Y449-S453 PolarHBondContact O-N 2.87Å
450	M	69	Low	69.3	Low	67 Å²	67	67.1 Å²	67.1	33%	0.33	35%	0.345	S	S	.	.	H	α-helix	trans	-70.4	-32.8	178.1	-65.8	-108.8	76	0	0	111.4	N447 S453 Y454	N447-M450 HydrophobicContact CB-CB 4.05Å; N447-M450 HydrophobicContact CB-CG 4.27Å; N447-M450 WeakPolarHBondContact O-CA 3.38Å; N447-M450 WeakPolarHBondContact O-CB 3.27Å; N447-M450 PolarHBondContact O-N 3.28Å; M450-S453 WeakPolarHBondContact O-CB 3.42Å; M450-S453 PolarHBondContact O-N 3.18Å; M450-Y454 HydrophobicContact CB-CD2 4.09Å; M450-Y454 HydrophobicContact CB-CE2 4.1Å; M450-Y454 HydrophobicContact CE-CE2 4.15Å; M450-Y454 WeakPolarHBondContact O-CD2 3.48Å; M450-Y454 PolarHBondContact O-N 3.45Å; M450-Y454 HydrophobicContact SD-CE2 4Å
451	I	76	Confident	71.3	Confident	43 Å²	43	68.1 Å²	68.1	22%	0.221	35%	0.348	C	S	.	.	H	α-helix	trans	-59.5	-56	-179	-60.4	170.3	0	0	0	110.6	E352 V356 F359 N447 Y449 S453 Y454 S455	E352-I451 HydrophobicContact CG-CG2 4.44Å; V356-I451 HydrophobicContact CG2-CB 4.44Å; V356-I451 HydrophobicContact CG2-CG2 4Å; F359-I451 HydrophobicContact CD2-CD1 3.9Å; F359-I451 HydrophobicContact CE2-CD1 4.12Å; N447-I451 PolarHBondContact O-N 3.42Å; N447-I451 VanDerWaalsContact O-N 3.1Å; Y449-I451 VanDerWaalsContact C-N 3.35Å; I451-S453 PolarHBondContact O-N 3.16Å; I451-Y454 PolarHBondContact O-N 3.02Å; I451-S455 WeakPolarHBondContact O-CB 3.38Å; I451-S455 PolarHBondContact O-N 2.8Å; I451-S455 PolarHBondContact O-OG 3.19Å
452	D	78.3	Confident	73.3	Confident	13 Å²	13	67.5 Å²	67.5	7%	0.07	35%	0.347	C	S	.	.	H	α-helix	trans	-56.3	-39.1	176.4	-77.8	-39.5	0	0	0	110.8	R304 R456	R304-D452 IonicContact NH1-OD1 2.76Å; R304-D452 IonicContact NH2-OD1 3.57Å; R304-D452 IonicContact NH2-OD2 3.54Å; D452-R456 VanDerWaalsContact O-CG 3.24Å; D452-R456 WeakPolarHBondContact O-CG 3.29Å; D452-R456 PolarHBondContact O-N 3.28Å
453	S	80.8	Confident	75.5	Confident	46 Å²	46	65.1 Å²	65.1	32%	0.322	33%	0.329	S	S	.	.	H	α-helix	trans	-68.1	-39.4	-179.6	-170.7	0	0	0	0	113.6	Y449 M450 I451	Y449-S453 PolarHBondContact O-N 2.87Å; M450-S453 WeakPolarHBondContact O-CB 3.42Å; M450-S453 PolarHBondContact O-N 3.18Å; I451-S453 PolarHBondContact O-N 3.16Å
454	Y	84.1	Confident	77.6	Confident	148 Å²	148	63.5 Å²	63.5	58%	0.58	33%	0.326	S	S	*	.	H	α-helix	trans	-73.2	-41.3	175.7	-82	-72.1	0	0	0	111	M450 I451 R456 V457 V458	M450-Y454 HydrophobicContact CB-CD2 4.09Å; M450-Y454 HydrophobicContact CB-CE2 4.1Å; M450-Y454 HydrophobicContact CE-CE2 4.15Å; M450-Y454 WeakPolarHBondContact O-CD2 3.48Å; M450-Y454 PolarHBondContact O-N 3.45Å; M450-Y454 HydrophobicContact SD-CE2 4Å; I451-Y454 PolarHBondContact O-N 3.02Å; Y454-R456 PolarHBondContact O-N 3.49Å; Y454-V457 PolarHBondContact O-N 2.79Å; Y454-V457 VanDerWaalsContact O-N 3.09Å; Y454-V458 WeakPolarHBondContact O-CB 3.48Å; Y454-V458 WeakPolarHBondContact O-CG2 3.41Å; Y454-V458 PolarHBondContact O-N 2.79Å
455	S	87	Confident	79.6	Confident	13 Å²	13	65.3 Å²	65.3	9%	0.091	34%	0.335	C	S	.	.	H	α-helix	trans	-56.7	-38	178.3	-62.8	0	0	0	0	112.2	E352 I451 V457 F459	E352-S455 WeakPolarHBondContact CG-OG 3.39Å; E352-S455 PolarHBondContact OE1-OG 2.94Å; I451-S455 WeakPolarHBondContact O-CB 3.38Å; I451-S455 PolarHBondContact O-N 2.8Å; I451-S455 PolarHBondContact O-OG 3.19Å; S455-V457 PolarHBondContact O-N 2.8Å; S455-F459 WeakPolarHBondContact O-CB 3.47Å; S455-F459 WeakPolarHBondContact O-CD2 3.44Å; S455-F459 PolarHBondContact O-N 2.99Å
456	R	89	Confident	81.8	Confident	79 Å²	79	66.2 Å²	66.2	30%	0.298	34%	0.338	S	S	.	.	H	α-helix	trans	-58.3	-28.5	177	-74.5	167.7	-165.5	-173	1.5	114.8	F294 D452 Y454 P460	F294-R456 HydrophobicContact CB-CG 3.95Å; F294-R456 PolarHBondContact O-NE 3.1Å; F294-R456 VanDerWaalsContact O-NE 3.13Å; F294-R456 PolarHBondContact O-NH2 3.17Å; D452-R456 VanDerWaalsContact O-CG 3.24Å; D452-R456 WeakPolarHBondContact O-CG 3.29Å; D452-R456 PolarHBondContact O-N 3.28Å; Y454-R456 PolarHBondContact O-N 3.49Å; R456-P460 WeakPolarHBondContact O-CD 3.42Å; R456-P460 WeakPolarHBondContact O-CG 3.36Å
457	V	88.3	Confident	83.8	Confident	94 Å²	94	62.4 Å²	62.4	57%	0.57	31%	0.31	S	S	*	.	H	α-helix	trans	-102.3	-42	-178.9	-178.4	0	0	0	0	110.8	Y454 S455 M461	Y454-V457 PolarHBondContact O-N 2.79Å; Y454-V457 VanDerWaalsContact O-N 3.09Å; S455-V457 PolarHBondContact O-N 2.8Å; V457-M461 HydrophobicContact CG1-CG 4.19Å; V457-M461 WeakPolarHBondContact O-CB 3.39Å; V457-M461 WeakPolarHBondContact O-CG 3.47Å; V457-M461 PolarHBondContact O-N 3.23Å
458	V	90.7	Very high	85.7	Confident	74 Å²	74	65.1 Å²	65.1	45%	0.448	32%	0.324	S	S	.	.	H	α-helix	trans	-66.5	-43.8	-174.5	173.8	0	0	0	0	111.6	Y454 M461 T462	Y454-V458 WeakPolarHBondContact O-CB 3.48Å; Y454-V458 WeakPolarHBondContact O-CG2 3.41Å; Y454-V458 PolarHBondContact O-N 2.79Å; V458-M461 PolarHBondContact O-N 3.47Å; V458-T462 HydrophobicContact CG1-CG2 4.07Å; V458-T462 WeakPolarHBondContact O-CB 3.18Å; V458-T462 VanDerWaalsContact O-CG2 3.26Å; V458-T462 WeakPolarHBondContact O-CG2 3.31Å; V458-T462 PolarHBondContact O-N 2.9Å; V458-T462 PolarHBondContact O-OG1 3.24Å
459	F	91.4	Very high	87.5	Confident	25 Å²	25	69 Å²	69	11%	0.11	34%	0.343	C	S	.	.	H	α-helix	trans	-64.1	-51.4	-177.8	-84	-105.2	0	0	0	112.5	W291 F294 F345 L348 S455 M461 T462 Y463	W291-F459 HydrophobicContact CE3-CB 4.08Å; F294-F459 HydrophobicContact CE2-CB 3.95Å; F294-F459 HydrophobicContact CE2-CD1 4.18Å; F294-F459 AromaticContact CE2-CD2 3.73Å; F294-F459 HydrophobicContact CE2-CD2 3.73Å; F294-F459 HydrophobicContact CE2-CE2 4.2Å; F294-F459 AromaticContact CE2-CG 3.71Å; F294-F459 HydrophobicContact CE2-CG 3.71Å; F294-F459 HydrophobicContact CZ-CD1 4.04Å; F294-F459 AromaticContact CZ-CD2 3.8Å; F294-F459 HydrophobicContact CZ-CD2 3.8Å; F294-F459 HydrophobicContact CZ-CE1 4.03Å; F294-F459 AromaticContact CZ-CE2 3.79Å; F294-F459 HydrophobicContact CZ-CE2 3.79Å; F294-F459 AromaticContact CZ-CG 3.92Å; F294-F459 HydrophobicContact CZ-CG 3.92Å; F294-F459 AromaticContact CZ-CZ 3.9Å; F294-F459 HydrophobicContact CZ-CZ 3.9Å; F345-F459 HydrophobicContact CD1-CD1 4.32Å; L348-F459 HydrophobicContact CB-CE1 3.8Å; L348-F459 HydrophobicContact CB-CZ 4Å; S455-F459 WeakPolarHBondContact O-CB 3.47Å; S455-F459 WeakPolarHBondContact O-CD2 3.44Å; S455-F459 PolarHBondContact O-N 2.99Å; F459-M461 PolarHBondContact O-N 3.25Å; F459-T462 PolarHBondContact O-N 3.28Å; F459-T462 PolarHBondContact O-OG1 3.5Å; F459-Y463 WeakPolarHBondContact O-CB 3Å; F459-Y463 PolarHBondContact O-N 2.94Å
460	P	91.9	Very high	88.8	Confident	38 Å²	38	61 Å²	61	25%	0.247	31%	0.312	C	S	.	.	H	α-helix	trans	-60.7	-41.2	175.8	-25.2	35	0	0	0	114.3	W291 R456 Y463 L464	W291-P460 HydrophobicContact CD2-CG 4.04Å; W291-P460 HydrophobicContact CE3-CB 4.47Å; W291-P460 HydrophobicContact CE3-CG 3.89Å; W291-P460 VanDerWaalsContact CH2-CA 3.47Å; W291-P460 HydrophobicContact CH2-CB 3.6Å; W291-P460 HydrophobicContact CH2-CG 3.79Å; W291-P460 HydrophobicContact CZ2-CB 4Å; W291-P460 HydrophobicContact CZ2-CG 3.89Å; W291-P460 HydrophobicContact CZ3-CB 3.88Å; W291-P460 HydrophobicContact CZ3-CG 3.81Å; R456-P460 WeakPolarHBondContact O-CD 3.42Å; R456-P460 WeakPolarHBondContact O-CG 3.36Å; P460-Y463 PolarHBondContact O-N 2.81Å; P460-L464 VanDerWaalsContact O-CB 3.28Å; P460-L464 WeakPolarHBondContact O-CB 3.42Å; P460-L464 PolarHBondContact O-N 3.18Å
461	M	92.3	Very high	89.9	Confident	123 Å²	123	61.2 Å²	61.2	61%	0.606	31%	0.309	S	S	*	.	H	α-helix	trans	-68.4	-42.7	-178.6	-69.7	-65.5	-95.3	0	0	112.1	V457 V458 F459 L464 M465	V457-M461 HydrophobicContact CG1-CG 4.19Å; V457-M461 WeakPolarHBondContact O-CB 3.39Å; V457-M461 WeakPolarHBondContact O-CG 3.47Å; V457-M461 PolarHBondContact O-N 3.23Å; V458-M461 PolarHBondContact O-N 3.47Å; F459-M461 PolarHBondContact O-N 3.25Å; M461-L464 PolarHBondContact O-N 2.87Å; M461-M465 WeakPolarHBondContact O-CB 3.27Å; M461-M465 PolarHBondContact O-N 3.44Å
462	T	93.9	Very high	90.6	Very high	51 Å²	51	63.7 Å²	63.7	31%	0.313	33%	0.33	S	S	.	.	H	α-helix	trans	-66.8	-39.3	177.4	50.8	0	0	0	0	111.8	F345 V458 F459 M465 F466	F345-T462 WeakPolarHBondContact CE1-OG1 3.4Å; V458-T462 HydrophobicContact CG1-CG2 4.07Å; V458-T462 WeakPolarHBondContact O-CB 3.18Å; V458-T462 VanDerWaalsContact O-CG2 3.26Å; V458-T462 WeakPolarHBondContact O-CG2 3.31Å; V458-T462 PolarHBondContact O-N 2.9Å; V458-T462 PolarHBondContact O-OG1 3.24Å; F459-T462 PolarHBondContact O-N 3.28Å; F459-T462 PolarHBondContact O-OG1 3.5Å; T462-M465 PolarHBondContact O-N 3.49Å; T462-F466 WeakPolarHBondContact O-CB 3.29Å; T462-F466 PolarHBondContact O-N 3.21Å
463	Y	94.1	Very high	91.2	Very high	3 Å²	3	69 Å²	69	1%	0.012	36%	0.358	C	S	.	.	H	α-helix	trans	-69.9	-36.3	176.4	-173.2	-114	0	0	0	113.1	M284 V287 M288 W291 Y338 F345 F459 P460 F466 N467	M284-Y463 HydrophobicContact CE-CE1 4.37Å; M284-Y463 HydrophobicContact SD-CD1 4.49Å; M284-Y463 HydrophobicContact SD-CE1 3.29Å; M284-Y463 WeakPolarHBondContact SD-CE1 3.4Å; M284-Y463 VanDerWaalsContact SD-CZ 3.54Å; M284-Y463 PolarHBondContact SD-OH 3.39Å; V287-Y463 HydrophobicContact CB-CE1 4.16Å; V287-Y463 HydrophobicContact CB-CE2 4.34Å; V287-Y463 HydrophobicContact CG1-CD1 3.97Å; V287-Y463 HydrophobicContact CG1-CD2 4.01Å; V287-Y463 HydrophobicContact CG1-CE1 3.89Å; V287-Y463 HydrophobicContact CG1-CE2 3.96Å; V287-Y463 HydrophobicContact CG1-CG 4.02Å; V287-Y463 HydrophobicContact CG2-CE2 4.03Å; M288-Y463 HydrophobicContact CE-CD1 4.33Å; M288-Y463 HydrophobicContact CE-CE1 4.33Å; W291-Y463 HydrophobicContact CH2-CD1 4.28Å; W291-Y463 HydrophobicContact CZ3-CD1 4.24Å; W291-Y463 HydrophobicContact CZ3-CG 4.48Å; Y338-Y463 PolarHBondContact OH-OH 3.29Å; Y338-Y463 VanDerWaalsContact OH-OH 3.05Å; F345-Y463 AromaticContact CD2-CD2 3.63Å; F345-Y463 HydrophobicContact CD2-CD2 3.63Å; F345-Y463 HydrophobicContact CD2-CE2 4.22Å; F345-Y463 AromaticContact CE2-CD2 3.76Å; F345-Y463 HydrophobicContact CE2-CD2 3.76Å; F345-Y463 HydrophobicContact CG-CD2 4.17Å; F345-Y463 HydrophobicContact CZ-CD2 4.37Å; F459-Y463 WeakPolarHBondContact O-CB 3Å; F459-Y463 PolarHBondContact O-N 2.94Å; P460-Y463 PolarHBondContact O-N 2.81Å; Y463-F466 HydrophobicContact CD2-CD1 4.19Å; Y463-F466 HydrophobicContact CE2-CD1 4.13Å; Y463-F466 WeakPolarHBondContact O-CB 3.27Å; Y463-F466 PolarHBondContact O-N 3.44Å; Y463-N467 WeakPolarHBondContact CE1-ND2 3.5Å; Y463-N467 PolarHBondContact O-N 3.1Å; Y463-N467 PolarHBondContact O-ND2 3.49Å
464	L	93.8	Very high	91.5	Very high	102 Å²	102	69.8 Å²	69.8	53%	0.534	35%	0.354	S	S	.	.	H	α-helix	trans	-63.4	-45.7	172.6	-174.1	76.2	0	0	0	111.1	P460 M461 F466 N467 I468	P460-L464 VanDerWaalsContact O-CB 3.28Å; P460-L464 WeakPolarHBondContact O-CB 3.42Å; P460-L464 PolarHBondContact O-N 3.18Å; M461-L464 PolarHBondContact O-N 2.87Å; L464-F466 VanDerWaalsContact C-N 3.33Å; L464-F466 PolarHBondContact O-N 3.19Å; L464-N467 WeakPolarHBondContact O-CB 3.34Å; L464-N467 PolarHBondContact O-N 3.25Å; L464-I468 HydrophobicContact CG-CD1 4.26Å; L464-I468 WeakPolarHBondContact O-CG1 3.35Å; L464-I468 PolarHBondContact O-N 2.83Å
465	M	94.6	Very high	91	Very high	111 Å²	111	69.2 Å²	69.2	55%	0.547	37%	0.372	S	S	.	.	H	α-helix	trans	-60.4	-44	176.1	-174.4	-174.5	73.9	0	0	111.4	M461 T462 N467 I468 I469	M461-M465 WeakPolarHBondContact O-CB 3.27Å; M461-M465 PolarHBondContact O-N 3.44Å; T462-M465 PolarHBondContact O-N 3.49Å; M465-N467 VanDerWaalsContact C-N 3.31Å; M465-N467 PolarHBondContact O-N 3.07Å; M465-I468 PolarHBondContact O-N 2.95Å; M465-I469 HydrophobicContact CG-CD1 3.99Å; M465-I469 WeakPolarHBondContact O-CG1 3.48Å; M465-I469 PolarHBondContact O-N 2.97Å
466	F	94.8	Very high	91.2	Very high	39 Å²	39	72 Å²	72	17%	0.171	39%	0.386	C	S	.	.	H	α-helix	trans	-55.6	-46.6	173.6	167.9	-102.2	0	0	0	111.7	Y338 A341 F345 T462 Y463 L464 I468 I469 Y470	Y338-F466 AromaticContact CD2-CE1 3.79Å; Y338-F466 HydrophobicContact CD2-CE1 3.79Å; Y338-F466 HydrophobicContact CD2-CZ 4.17Å; Y338-F466 AromaticContact CE2-CE1 3.96Å; Y338-F466 HydrophobicContact CE2-CE1 3.96Å; A341-F466 HydrophobicContact CB-CD2 4.28Å; A341-F466 HydrophobicContact CB-CE1 3.91Å; A341-F466 HydrophobicContact CB-CE2 3.53Å; A341-F466 HydrophobicContact CB-CZ 3.32Å; F345-F466 HydrophobicContact CE2-CB 4.41Å; F345-F466 HydrophobicContact CE2-CG 4.43Å; T462-F466 WeakPolarHBondContact O-CB 3.29Å; T462-F466 PolarHBondContact O-N 3.21Å; Y463-F466 HydrophobicContact CD2-CD1 4.19Å; Y463-F466 HydrophobicContact CE2-CD1 4.13Å; Y463-F466 WeakPolarHBondContact O-CB 3.27Å; Y463-F466 PolarHBondContact O-N 3.44Å; L464-F466 VanDerWaalsContact C-N 3.33Å; L464-F466 PolarHBondContact O-N 3.19Å; F466-I468 PolarHBondContact O-N 3.03Å; F466-I469 PolarHBondContact O-N 2.73Å; F466-Y470 HydrophobicContact CZ-CD2 4.32Å; F466-Y470 VanDerWaalsContact O-CB 3.28Å; F466-Y470 WeakPolarHBondContact O-CB 3.33Å; F466-Y470 PolarHBondContact O-N 2.82Å
467	N	93.9	Very high	91.3	Very high	11 Å²	11	71.6 Å²	71.6	6%	0.059	39%	0.391	C	S	.	.	H	α-helix	trans	-62.2	-43.9	178.3	-87.6	-78.1	0	0	0	112.9	M284 Y338 Y463 L464 M465 I469 Y470 W471	M284-N467 HydrophobicContact CE-CB 4.46Å; M284-N467 WeakPolarHBondContact CE-OD1 3.47Å; Y338-N467 WeakPolarHBondContact CE2-OD1 3.38Å; Y463-N467 WeakPolarHBondContact CE1-ND2 3.5Å; Y463-N467 PolarHBondContact O-N 3.1Å; Y463-N467 PolarHBondContact O-ND2 3.49Å; L464-N467 WeakPolarHBondContact O-CB 3.34Å; L464-N467 PolarHBondContact O-N 3.25Å; M465-N467 VanDerWaalsContact C-N 3.31Å; M465-N467 PolarHBondContact O-N 3.07Å; N467-I469 VanDerWaalsContact C-N 3.32Å; N467-I469 PolarHBondContact O-N 2.84Å; N467-Y470 PolarHBondContact O-N 2.86Å; N467-W471 PolarHBondContact O-N 2.89Å
468	I	93.8	Very high	91.5	Very high	111 Å²	111	70.4 Å²	70.4	57%	0.569	38%	0.381	S	S	*	.	H	α-helix	trans	-59.8	-46	177.5	-67.5	166.3	0	0	0	110.4	L464 M465 F466 S472	L464-I468 HydrophobicContact CG-CD1 4.26Å; L464-I468 WeakPolarHBondContact O-CG1 3.35Å; L464-I468 PolarHBondContact O-N 2.83Å; M465-I468 PolarHBondContact O-N 2.95Å; F466-I468 PolarHBondContact O-N 3.03Å; I468-S472 WeakPolarHBondContact O-CB 3.45Å; I468-S472 PolarHBondContact O-N 3.18Å
469	I	94.7	Very high	91.5	Very high	85 Å²	85	70.2 Å²	70.2	44%	0.436	38%	0.377	S	S	.	.	H	α-helix	trans	-64.2	-47.4	178.5	-66.2	167.1	0	0	0	110.4	M465 F466 N467 S472 L473	M465-I469 HydrophobicContact CG-CD1 3.99Å; M465-I469 WeakPolarHBondContact O-CG1 3.48Å; M465-I469 PolarHBondContact O-N 2.97Å; F466-I469 PolarHBondContact O-N 2.73Å; N467-I469 VanDerWaalsContact C-N 3.32Å; N467-I469 PolarHBondContact O-N 2.84Å; I469-S472 PolarHBondContact O-N 2.84Å; I469-L473 HydrophobicContact CG2-CD1 3.77Å; I469-L473 HydrophobicContact CG2-CG 4.34Å; I469-L473 WeakPolarHBondContact O-CG 3.45Å; I469-L473 PolarHBondContact O-N 3.29Å
470	Y	93.6	Very high	91.6	Very high	5 Å²	5	73 Å²	73	2%	0.02	39%	0.393	C	S	.	.	H	α-helix	trans	-57.8	-54.6	-179.2	178.9	-95.6	0	0	0	111.7	Y280 A334 Y338 F466 N467 S472 L473 Y474	Y280-Y470 AromaticContact CE1-CE1 3.73Å; Y280-Y470 HydrophobicContact CE1-CE1 3.73Å; Y280-Y470 PolarHBondContact OH-OH 2.74Å; A334-Y470 WeakPolarHBondContact O-CE2 3.47Å; A334-Y470 PolarHBondContact O-OH 2.74Å; Y338-Y470 AromaticContact CD2-CD1 3.73Å; Y338-Y470 HydrophobicContact CD2-CD1 3.73Å; Y338-Y470 HydrophobicContact CD2-CD2 4.17Å; Y338-Y470 AromaticContact CD2-CE1 3.73Å; Y338-Y470 HydrophobicContact CD2-CE1 3.73Å; Y338-Y470 HydrophobicContact CD2-CE2 4.19Å; Y338-Y470 AromaticContact CD2-CG 3.96Å; Y338-Y470 HydrophobicContact CD2-CG 3.96Å; Y338-Y470 AromaticContact CD2-CZ 3.97Å; Y338-Y470 HydrophobicContact CE2-CD1 4.27Å; Y338-Y470 HydrophobicContact CE2-CE1 4.49Å; Y338-Y470 HydrophobicContact CG-CE1 4.35Å; Y338-Y470 HydrophobicContact CG-CE2 4.47Å; F466-Y470 HydrophobicContact CZ-CD2 4.32Å; F466-Y470 VanDerWaalsContact O-CB 3.28Å; F466-Y470 WeakPolarHBondContact O-CB 3.33Å; F466-Y470 PolarHBondContact O-N 2.82Å; N467-Y470 PolarHBondContact O-N 2.86Å; Y470-S472 VanDerWaalsContact C-N 3.26Å; Y470-S472 PolarHBondContact O-N 3.15Å; Y470-L473 PolarHBondContact O-N 2.91Å; Y470-Y474 AromaticContact CD2-CD2 3.69Å; Y470-Y474 HydrophobicContact CD2-CD2 3.69Å; Y470-Y474 AromaticContact CD2-CE2 3.78Å; Y470-Y474 HydrophobicContact CD2-CE2 3.78Å; Y470-Y474 AromaticContact CE2-CD2 3.52Å; Y470-Y474 HydrophobicContact CE2-CD2 3.52Å; Y470-Y474 AromaticContact CE2-CE2 3.62Å; Y470-Y474 HydrophobicContact CE2-CE2 3.62Å; Y470-Y474 HydrophobicContact CG-CD2 4.26Å; Y470-Y474 AromaticContact CZ-CD2 3.97Å; Y470-Y474 WeakPolarHBondContact O-CD2 3.48Å; Y470-Y474 PolarHBondContact O-N 3.04Å; Y470-Y474 VanDerWaalsContact O-N 3.16Å
471	W	91.6	Very high	91.5	Very high	71 Å²	71	75.3 Å²	75.3	27%	0.269	40%	0.403	S	S	.	.	H	α-helix	trans	-66.7	-28.9	179.9	-70	109.6	0	0	0	112.2	L199 M276 Y280 N467 S475	L199-W471 HydrophobicContact CD1-CZ3 4.03Å; M276-W471 HydrophobicContact CE-CH2 3.83Å; M276-W471 HydrophobicContact CE-CZ2 3.92Å; M276-W471 HydrophobicContact SD-CH2 3.35Å; M276-W471 WeakPolarHBondContact SD-CH2 3.14Å; M276-W471 HydrophobicContact SD-CZ2 3.93Å; M276-W471 HydrophobicContact SD-CZ3 4.26Å; Y280-W471 HydrophobicContact CD1-CH2 4.18Å; Y280-W471 AromaticContact CD1-CZ2 3.82Å; Y280-W471 HydrophobicContact CD1-CZ2 3.82Å; Y280-W471 HydrophobicContact CD2-CH2 4.45Å; Y280-W471 HydrophobicContact CE1-CH2 4.06Å; Y280-W471 AromaticContact CE1-CZ2 3.97Å; Y280-W471 HydrophobicContact CE1-CZ2 3.97Å; Y280-W471 HydrophobicContact CE2-CH2 4.33Å; Y280-W471 HydrophobicContact CG-CH2 4.37Å; Y280-W471 HydrophobicContact CG-CZ2 4.23Å; N467-W471 PolarHBondContact O-N 2.89Å; W471-S475 WeakPolarHBondContact O-CB 3.29Å; W471-S475 PolarHBondContact O-N 3.01Å
472	S	91.1	Very high	91.5	Very high	95 Å²	95	71.9 Å²	71.9	66%	0.664	39%	0.389	S	S	*	.	H	α-helix	trans	-71.9	-30.8	174.8	-174.8	0	0	0	0	113.5	I468 I469 Y470	I468-S472 WeakPolarHBondContact O-CB 3.45Å; I468-S472 PolarHBondContact O-N 3.18Å; I469-S472 PolarHBondContact O-N 2.84Å; Y470-S472 VanDerWaalsContact C-N 3.26Å; Y470-S472 PolarHBondContact O-N 3.15Å
473	L	90.6	Very high	91.3	Very high	126 Å²	126	73.5 Å²	73.5	66%	0.66	40%	0.395	S	S	*	.	H	α-helix	trans	-81.1	-33.9	-178.9	-73	173.1	0	0	0	112.5	I469 Y470	I469-L473 HydrophobicContact CG2-CD1 3.77Å; I469-L473 HydrophobicContact CG2-CG 4.34Å; I469-L473 WeakPolarHBondContact O-CG 3.45Å; I469-L473 PolarHBondContact O-N 3.29Å; Y470-L473 PolarHBondContact O-N 2.91Å
474	Y	85.8	Confident	91.1	Very high	61 Å²	61	79.4 Å²	79.4	24%	0.239	43%	0.427	C	S	.	.	H	α-helix	trans	-105.9	4.5	-173.9	-65.2	-72.1	0	0	0	114.3	L199 A334 I337 Y470	L199-Y474 WeakPolarHBondContact CD1-O 3.41Å; A334-Y474 HydrophobicContact CB-CD1 3.57Å; A334-Y474 HydrophobicContact CB-CD2 4.26Å; A334-Y474 HydrophobicContact CB-CE1 3.45Å; A334-Y474 VanDerWaalsContact CB-CE1 3.45Å; A334-Y474 HydrophobicContact CB-CE2 4.17Å; A334-Y474 HydrophobicContact CB-CG 3.99Å; I337-Y474 WeakPolarHBondContact CD1-OH 3.29Å; Y470-Y474 AromaticContact CD2-CD2 3.69Å; Y470-Y474 HydrophobicContact CD2-CD2 3.69Å; Y470-Y474 AromaticContact CD2-CE2 3.78Å; Y470-Y474 HydrophobicContact CD2-CE2 3.78Å; Y470-Y474 AromaticContact CE2-CD2 3.52Å; Y470-Y474 HydrophobicContact CE2-CD2 3.52Å; Y470-Y474 AromaticContact CE2-CE2 3.62Å; Y470-Y474 HydrophobicContact CE2-CE2 3.62Å; Y470-Y474 HydrophobicContact CG-CD2 4.26Å; Y470-Y474 AromaticContact CZ-CD2 3.97Å; Y470-Y474 WeakPolarHBondContact O-CD2 3.48Å; Y470-Y474 PolarHBondContact O-N 3.04Å; Y470-Y474 VanDerWaalsContact O-N 3.16Å
475	S	74.4	Confident	90.8	Very high	136 Å²	136	77.4 Å²	77.4	95%	0.951	42%	0.417	S	S	*	.			trans	-70.7	0	178.5	177.4	0	0	0	0	114.4	W471	W471-S475 WeakPolarHBondContact O-CB 3.29Å; W471-S475 PolarHBondContact O-N 3.01Å

Retrieved 475 of 475 residues in 533.2 ms (Link to these results)

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