A0A077ZBF2_TRITR Loading...

Lig chan-Glu bd and Lig chan domain containing pr otein

AlphaFold DB , UniProt , Accession A0A077ZBF2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 549 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	31	Very low	29.7	Very low	253 Å²	253	158.4 Å²	158.4	100%	1.246	85%	0.846	S	S	*	*				0	87.7	0	-105.8	168.2	168.4	0	0	108
2	A	33.3	Very low	29.9	Very low	95 Å²	95	157.9 Å²	157.9	79%	0.785	84%	0.844	S	S	*	*			trans	166.4	105.2	162	0	0	0	0	0	105.6
3	S	27.6	Very low	29.4	Very low	120 Å²	120	156.3 Å²	156.3	84%	0.839	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-76	125.8	-174.9	50	0	0	0	0	111.7
4	F	33.1	Very low	29.4	Very low	208 Å²	208	159 Å²	159	91%	0.912	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-87	119.2	158.6	-79.7	-88.1	0	0	0	108.4
5	G	31.8	Very low	29.1	Very low	58 Å²	58	162.1 Å²	162.1	60%	0.598	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-72.1	168.3	175.6	0	0	0	0	0	112.9
6	P	29.2	Very low	29.2	Very low	111 Å²	111	164.9 Å²	164.9	72%	0.721	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-80.6	135.8	-169.3	32.8	-31.9	0	0	0	111.5	H8	P6-H8 PolarHBondContact O-N 3.02Å
7	Y	29.5	Very low	29.2	Very low	231 Å²	231	165.4 Å²	165.4	91%	0.906	83%	0.83	S	S	*	*			trans	-68.2	112	164.6	-75.8	-89.8	0	0	0	108.9	A9	Y7-A9 PolarHBondContact O-N 3.24Å
8	H	27.8	Very low	29.1	Very low	160 Å²	160	164.4 Å²	164.4	74%	0.741	83%	0.828	S	S	*	*			trans	-80	112.2	165.4	-87.9	-83.2	0	0	0	109.1	P6	P6-H8 PolarHBondContact O-N 3.02Å
9	A	26.5	Very low	29.1	Very low	100 Å²	100	164.6 Å²	164.6	83%	0.826	83%	0.828	S	S	*	*			trans	-71	121.4	164.8	0	0	0	0	0	108.8	Y7 E11	Y7-A9 PolarHBondContact O-N 3.24Å; A9-E11 PolarHBondContact O-N 3.32Å
10	Y	29.1	Very low	29	Very low	221 Å²	221	163.3 Å²	163.3	87%	0.867	83%	0.831	S	S	*	*			trans	-81.4	114.6	172.4	-86.4	-90.6	0	0	0	109.7
11	E	27.9	Very low	29.1	Very low	185 Å²	185	160.8 Å²	160.8	86%	0.864	82%	0.824	S	S	*	*			trans	-61.6	129	164.4	-84.6	174.3	140.2	0	0	110.7	A9 N13	A9-E11 PolarHBondContact O-N 3.32Å; E11-N13 PolarHBondContact O-N 3.01Å; E11-N13 VanDerWaalsContact O-N 3.15Å
12	N	31.5	Very low	28.8	Very low	153 Å²	153	157.8 Å²	157.8	82%	0.818	81%	0.806	S	S	*	*			trans	-68.7	99.9	171.8	-89	-38.9	0	0	0	110.9
13	N	24.3	Very low	28.5	Very low	137 Å²	137	159.5 Å²	159.5	73%	0.733	80%	0.802	S	S	*	*			trans	-87.5	108.4	155.6	-85.8	-25.9	0	0	0	109.4	E11	E11-N13 PolarHBondContact O-N 3.01Å; E11-N13 VanDerWaalsContact O-N 3.15Å
14	R	28.2	Very low	28.4	Very low	194 Å²	194	161.2 Å²	161.2	73%	0.732	80%	0.801	S	S	*	*			trans	-120.1	110.2	157.9	-77.3	-166.8	-170	167.8	11.3	109.4
15	Y	25.9	Very low	28	Very low	205 Å²	205	162 Å²	162	80%	0.804	80%	0.798	S	S	*	*			trans	-75.6	131.4	159.6	-70.3	-90.4	0	0	0	109
16	F	29.9	Very low	27.8	Very low	208 Å²	208	166.5 Å²	166.5	91%	0.912	81%	0.806	S	S	*	*			trans	-138.1	124.8	153.9	-119	-88.1	0	0	0	107.9
17	Q	29.5	Very low	27.7	Very low	173 Å²	173	170.4 Å²	170.4	81%	0.808	82%	0.815	S	S	*	*			trans	-67.7	140.8	-179.3	-73.7	170.6	-51.5	0	0	111.6
18	D	26.8	Very low	27.7	Very low	147 Å²	147	164.8 Å²	164.8	79%	0.786	81%	0.809	S	S	*	*	S	Bend	trans	56.1	73.1	150.5	-54.7	-25.5	0	0	0	119.5
19	M	30.6	Very low	27.9	Very low	169 Å²	169	163.5 Å²	163.5	83%	0.833	81%	0.808	S	S	*	*			trans	-157.5	129.4	139.9	-93.8	-162.2	-70.2	0	0	110.3	V21	M19-V21 PolarHBondContact O-N 3.1Å
20	P	27.1	Very low	28.2	Very low	137 Å²	137	163 Å²	163	89%	0.89	80%	0.799	S	S	*	*			trans	-79.5	103.5	174.8	31.1	-29.7	0	0	0	109.7
21	V	29.3	Very low	28.6	Very low	111 Å²	111	158.5 Å²	158.5	67%	0.673	79%	0.789	S	S	*	*			trans	-96.6	113.4	165.8	-176.7	0	0	0	0	107.8	M19 L23	M19-V21 PolarHBondContact O-N 3.1Å; V21-L23 PolarHBondContact O-N 3.11Å; V21-L23 VanDerWaalsContact O-N 3.07Å
22	Q	25.3	Very low	28.9	Very low	190 Å²	190	153.1 Å²	153.1	89%	0.888	77%	0.772	S	S	*	*			trans	-68.7	99.4	166.9	-84.2	-177.9	-26.5	0	0	108.8
23	L	28.4	Very low	28.8	Very low	131 Å²	131	153.8 Å²	153.8	69%	0.686	77%	0.767	S	S	*	*			trans	-84.7	104.5	165.7	-93.8	142.6	0	0	0	108.5	V21 W25	V21-L23 PolarHBondContact O-N 3.11Å; V21-L23 VanDerWaalsContact O-N 3.07Å; L23-W25 PolarHBondContact O-N 3.31Å
24	L	24.7	Very low	29.2	Very low	156 Å²	156	152 Å²	152	82%	0.817	76%	0.762	S	S	*	*			trans	-75.2	110.9	164.6	-95.6	145.7	0	0	0	108.1
25	W	25.5	Very low	29.2	Very low	225 Å²	225	147.5 Å²	147.5	85%	0.852	76%	0.76	S	S	*	*			trans	-80.3	120.4	165.9	-67.1	84.4	0	0	0	108.1	L23	L23-W25 PolarHBondContact O-N 3.31Å
26	I	26.4	Very low	29.2	Very low	152 Å²	152	143.6 Å²	143.6	78%	0.779	75%	0.749	S	S	*	*			trans	-101.9	101.5	162.6	-61.2	173.9	0	0	0	105.2	S28	I26-S28 PolarHBondContact O-N 2.94Å; I26-S28 VanDerWaalsContact O-N 3.1Å
27	E	26.4	Very low	29.1	Very low	194 Å²	194	141 Å²	141	91%	0.907	74%	0.744	S	S	*	*			trans	-63.6	102.3	161.8	-98.1	172.8	156.4	0	0	107.3
28	S	29.8	Very low	28.9	Very low	112 Å²	112	137.7 Å²	137.7	78%	0.783	74%	0.735	S	S	*	*			trans	-89.1	102	162.6	-176.8	0	0	0	0	107.5	I26	I26-S28 PolarHBondContact O-N 2.94Å; I26-S28 VanDerWaalsContact O-N 3.1Å
29	D	31.8	Very low	28.9	Very low	133 Å²	133	136.5 Å²	136.5	71%	0.711	74%	0.737	S	S	*	*			trans	-47.2	149.1	161.5	-155.4	-18.3	0	0	0	111.7
30	S	33.6	Very low	28.6	Very low	90 Å²	90	135.1 Å²	135.1	63%	0.629	73%	0.732	S	S	*	*	S	Bend	trans	20.4	129.7	162.1	41.3	0	0	0	0	120.4
31	D	37	Very low	28.6	Very low	126 Å²	126	135.9 Å²	135.9	67%	0.674	73%	0.729	S	S	*	*			trans	78.8	112.8	171.9	-57.8	-24.6	0	0	0	116.1	K33	D31-K33 HydrophobicContact CB-CG 4.43Å; D31-K33 PolarHBondContact O-N 3.14Å
32	C	35.1	Very low	28.4	Very low	73 Å²	73	135.1 Å²	135.1	49%	0.493	73%	0.734	S	S	.	*			trans	-64.8	72.9	168.2	-163	0	0	0	0	110.4	C442	C32-C442 WeakPolarHBondContact SG-CB 3.5Å; C32-C442 PolarHBondContact SG-SG 3.13Å
33	K	30.2	Very low	28.6	Very low	166 Å²	166	134.5 Å²	134.5	72%	0.722	73%	0.731	S	S	*	*			trans	-104.4	60.8	168.8	-74.1	-176.4	179.1	172.4	0	109.2	D31	D31-K33 HydrophobicContact CB-CG 4.43Å; D31-K33 PolarHBondContact O-N 3.14Å
34	T	30.9	Very low	28.4	Very low	100 Å²	100	134.5 Å²	134.5	61%	0.613	74%	0.736	S	S	*	*			trans	-99.7	90.5	168.7	17	0	0	0	0	109.6	Q36	T34-Q36 PolarHBondContact O-N 3.46Å
35	S	28.6	Very low	28.5	Very low	99 Å²	99	135.9 Å²	135.9	69%	0.692	74%	0.736	S	S	*	*			trans	7.9	107.3	140.5	24.2	0	0	0	0	116.3	L37	S35-L37 PolarHBondContact O-N 3.45Å; S35-L37 VanDerWaalsContact O-N 3.14Å
36	Q	26.9	Very low	28.4	Very low	123 Å²	123	131 Å²	131	58%	0.575	73%	0.731	S	S	*	*			trans	-59.6	110.8	157.8	-75.8	-178	-13.5	0	0	109.3	T34 V38 C65 F66	T34-Q36 PolarHBondContact O-N 3.46Å; Q36-V38 PolarHBondContact O-N 3.3Å; Q36-C65 PolarHBondContact NE2-O 3.49Å; Q36-C65 VanDerWaalsContact NE2-O 3.13Å; Q36-F66 HydrophobicContact CG-CE1 3.69Å; Q36-F66 HydrophobicContact CG-CZ 3.72Å
37	L	26.3	Very low	28.6	Very low	154 Å²	154	131.8 Å²	131.8	81%	0.806	74%	0.736	S	S	*	*			trans	-82.3	89.7	164.5	-106.8	151.3	0	0	0	108.2	S35 C39	S35-L37 PolarHBondContact O-N 3.45Å; S35-L37 VanDerWaalsContact O-N 3.14Å; L37-C39 PolarHBondContact O-N 2.81Å
38	V	26.2	Very low	28.6	Very low	104 Å²	104	129 Å²	129	63%	0.63	73%	0.732	S	S	*	*			trans	-77.2	102.2	160.8	177.4	0	0	0	0	107.1	Q36 L40	Q36-V38 PolarHBondContact O-N 3.3Å; V38-L40 HydrophobicContact CG1-CD1 4.08Å; V38-L40 HydrophobicContact CG1-CG 4.39Å; V38-L40 PolarHBondContact O-N 2.97Å
39	C	26.4	Very low	28.6	Very low	122 Å²	122	127.2 Å²	127.2	82%	0.824	73%	0.731	S	S	*	*			trans	-71.1	91.6	168.3	-82.1	0	0	0	0	109.7	L37	L37-C39 PolarHBondContact O-N 2.81Å
40	L	25.7	Very low	28.4	Very low	139 Å²	139	130.3 Å²	130.3	73%	0.728	74%	0.741	S	S	*	*			trans	-111.8	111.1	157.9	-95.3	158.4	0	0	0	107.5	V38	V38-L40 HydrophobicContact CG1-CD1 4.08Å; V38-L40 HydrophobicContact CG1-CG 4.39Å; V38-L40 PolarHBondContact O-N 2.97Å
41	N	25.5	Very low	28.3	Very low	153 Å²	153	131.1 Å²	131.1	82%	0.818	75%	0.746	S	S	*	*	S	Bend	trans	30.4	115.6	160.4	-69.3	-21.7	0	0	0	118.2
42	A	26.6	Very low	27.9	Very low	95 Å²	95	134.1 Å²	134.1	79%	0.785	76%	0.756	S	S	*	*	S	Bend	trans	82.6	125.5	153.2	0	0	0	0	0	117.8
43	Q	28.6	Very low	27.8	Very low	177 Å²	177	137.2 Å²	137.2	83%	0.827	77%	0.772	S	S	*	*			trans	77.9	106.4	157.3	-65.8	176.5	-20.9	0	0	118.2
44	V	23.6	Very low	27.9	Very low	131 Å²	131	134.1 Å²	134.1	79%	0.794	77%	0.772	S	S	*	*			trans	-61.5	125.8	165.5	175.8	0	0	0	0	110.4
45	F	27.6	Very low	27.7	Very low	186 Å²	186	137 Å²	137	82%	0.816	78%	0.783	S	S	*	*			trans	-140.3	119.1	151.2	-83.9	-81.7	0	0	0	109.4
46	V	24.2	Very low	27.8	Very low	123 Å²	123	143.7 Å²	143.7	75%	0.745	79%	0.793	S	S	*	*			trans	-96.9	124.5	167.3	174.9	0	0	0	0	106.8	V48	V46-V48 HydrophobicContact CG1-CG2 4.46Å
47	L	28.8	Very low	27.9	Very low	167 Å²	167	145.5 Å²	145.5	87%	0.874	80%	0.802	S	S	*	*			trans	-116	119.7	169.7	-88.5	164.2	0	0	0	108.9
48	V	27.6	Very low	27.9	Very low	137 Å²	137	145.8 Å²	145.8	83%	0.83	80%	0.803	S	S	*	*			trans	-100.5	128	164.3	-179.8	0	0	0	0	106.4	V46	V46-V48 HydrophobicContact CG1-CG2 4.46Å
49	G	30.4	Very low	27.9	Very low	73 Å²	73	150.7 Å²	150.7	75%	0.753	81%	0.812	S	S	*	*			trans	-159.8	107.1	177.3	0	0	0	0	0	112.3
50	H	27	Very low	28	Very low	199 Å²	199	147.6 Å²	147.6	92%	0.921	80%	0.795	S	S	*	*			trans	-59.9	135.8	161.9	-98.9	-85.5	0	0	0	110.8
51	S	31.2	Very low	28.1	Very low	106 Å²	106	150.5 Å²	150.5	74%	0.741	81%	0.805	S	S	*	*			trans	-177.1	132.7	142.4	-179.1	0	0	0	0	110.7
52	E	27.8	Very low	28.6	Very low	189 Å²	189	150.1 Å²	150.1	88%	0.883	80%	0.798	S	S	*	*			trans	-45.9	129.9	165.7	-63.5	162.8	134.7	0	0	112.2
53	V	33.5	Very low	28.9	Very low	139 Å²	139	156.7 Å²	156.7	84%	0.842	80%	0.803	S	S	*	*			trans	-143.4	131.4	153.7	-178	0	0	0	0	109
54	S	31.7	Very low	29.5	Very low	101 Å²	101	154.1 Å²	154.1	71%	0.706	79%	0.789	S	S	*	*			trans	-67.4	153.3	-171.5	59.2	0	0	0	0	115.8	R56	S54-R56 PolarHBondContact O-N 3.11Å
55	D	27.3	Very low	29.9	Very low	160 Å²	160	152.4 Å²	152.4	86%	0.856	78%	0.782	S	S	*	*			trans	-10.7	106.3	159	-75.4	-40.9	0	0	0	116.1
56	R	30.7	Very low	30.6	Very low	240 Å²	240	147.6 Å²	147.6	91%	0.906	76%	0.761	S	S	*	*			trans	-146.4	106.3	140.2	-93.8	-174.8	-168.4	-177.3	3.1	108.9	S54 L58	S54-R56 PolarHBondContact O-N 3.11Å; R56-L58 PolarHBondContact O-N 3.45Å; R56-L58 VanDerWaalsContact O-N 3.1Å
57	Q	28.1	Very low	32	Very low	160 Å²	160	142.8 Å²	142.8	75%	0.748	73%	0.732	S	S	*	*			trans	-45.4	111.3	165.5	-73.8	167.3	-37.2	0	0	110.5	Y59	Q57-Y59 HydrophobicContact CB-CD2 4.23Å; Q57-Y59 HydrophobicContact CB-CE2 4.19Å; Q57-Y59 HydrophobicContact CG-CE2 4.22Å
58	L	27.1	Very low	32.5	Very low	161 Å²	161	141.4 Å²	141.4	84%	0.843	72%	0.715	S	S	*	*			trans	-105.9	98.3	154.6	-126.3	93.6	0	0	0	106.1	R56 A60	R56-L58 PolarHBondContact O-N 3.45Å; R56-L58 VanDerWaalsContact O-N 3.1Å; L58-A60 PolarHBondContact O-N 2.91Å
59	Y	27.2	Very low	33.5	Very low	206 Å²	206	134.9 Å²	134.9	81%	0.808	68%	0.675	S	S	*	*			trans	-70.8	89	162	-76.9	-89.6	0	0	0	107	Q57	Q57-Y59 HydrophobicContact CB-CD2 4.23Å; Q57-Y59 HydrophobicContact CB-CE2 4.19Å; Q57-Y59 HydrophobicContact CG-CE2 4.22Å
60	A	27.7	Very low	34.3	Very low	58 Å²	58	131.4 Å²	131.4	48%	0.479	64%	0.639	S	S	.	*			trans	-90.4	118.7	160.6	0	0	0	0	0	106.8	L58 E62	L58-A60 PolarHBondContact O-N 2.91Å; A60-E62 HydrophobicContact CB-CG 4.05Å; A60-E62 PolarHBondContact O-N 2.72Å
61	E	28.4	Very low	35.2	Very low	200 Å²	200	122 Å²	122	94%	0.935	60%	0.596	S	S	*	*			trans	-63	81.5	162.3	-76.6	-178.2	145.5	0	0	108.1	R63	E61-R63 PolarHBondContact O-N 3.28Å; E61-R63 VanDerWaalsContact O-N 3.11Å
62	E	34.1	Very low	35.4	Very low	144 Å²	144	117.1 Å²	117.1	67%	0.673	56%	0.562	S	S	*	*			trans	-75.4	99.3	176.2	-74.5	-175.3	166.4	0	0	109	A60 F64	A60-E62 HydrophobicContact CB-CG 4.05Å; A60-E62 PolarHBondContact O-N 2.72Å; E62-F64 PolarHBondContact O-N 3.17Å
63	R	34.6	Very low	35.7	Very low	234 Å²	234	111.4 Å²	111.4	88%	0.883	53%	0.533	S	S	*	.			trans	-64.4	116.8	161.5	-70.5	-177.8	-174.7	-177.8	1.1	107.9	E61 C65	E61-R63 PolarHBondContact O-N 3.28Å; E61-R63 VanDerWaalsContact O-N 3.11Å; R63-C65 PolarHBondContact O-N 3.28Å; R63-C65 VanDerWaalsContact O-N 3.11Å
64	F	40.4	Very low	35.4	Very low	123 Å²	123	104.8 Å²	104.8	54%	0.539	49%	0.492	S	S	.	.			trans	-62.5	111.8	171.4	-81.5	-90.2	0	0	0	109.7	E62 F66	E62-F64 PolarHBondContact O-N 3.17Å; F64-F66 HydrophobicContact CB-CD2 4.47Å; F64-F66 HydrophobicContact CD1-CD2 4.04Å; F64-F66 HydrophobicContact CD1-CE2 4.12Å; F64-F66 PolarHBondContact O-N 2.85Å
65	C	31.3	Very low	35.3	Very low	94 Å²	94	107.8 Å²	107.8	64%	0.635	50%	0.495	S	S	*	.			trans	-97.1	78.8	173.6	-145.2	0	0	0	0	108.7	Q36 R63	Q36-C65 PolarHBondContact NE2-O 3.49Å; Q36-C65 VanDerWaalsContact NE2-O 3.13Å; R63-C65 PolarHBondContact O-N 3.28Å; R63-C65 VanDerWaalsContact O-N 3.11Å
66	F	43.5	Very low	35.8	Very low	86 Å²	86	109.7 Å²	109.7	38%	0.377	49%	0.492	S	S	.	.			trans	-137.7	136.5	168	-64.9	-86.7	0	0	0	103.6	Q36 F64	Q36-F66 HydrophobicContact CG-CE1 3.69Å; Q36-F66 HydrophobicContact CG-CZ 3.72Å; F64-F66 HydrophobicContact CB-CD2 4.47Å; F64-F66 HydrophobicContact CD1-CD2 4.04Å; F64-F66 HydrophobicContact CD1-CE2 4.12Å; F64-F66 PolarHBondContact O-N 2.85Å
67	T	52.5	Low	36.9	Very low	21 Å²	21	100.2 Å²	100.2	13%	0.129	46%	0.457	C	S	.	.			cis	-175.6	157.4	46.8	-10.7	0	0	0	0	107.5	F69 T113 D146 V147 L443	T67-F69 WeakPolarHBondContact O-CD2 3.45Å; T67-F69 WeakPolarHBondContact O-CE2 3.44Å; T67-F69 WeakPolarHBondContact OG1-CE2 3.16Å; T67-F69 WeakPolarHBondContact OG1-CZ 3.45Å; T67-T113 PolarHBondContact N-O 3.05Å; T67-D146 HydrophobicContact CG2-CB 3.27Å; T67-D146 WeakPolarHBondContact CG2-OD2 3.26Å; T67-V147 HydrophobicContact CG2-CG2 4.23Å; T67-L443 HydrophobicContact CG2-CD1 3.57Å
68	R	40.7	Very low	38.6	Very low	139 Å²	139	96.4 Å²	96.4	53%	0.525	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	122.6	163.4	-93.5	-178.8	168.6	174.3	-0.2	109	E115 D146	R68-E115 HydrophobicContact CG-CB 4.39Å; R68-E115 IonicContact CZ-OE2 2.69Å; R68-E115 IonicContact NE-OE2 2.66Å; R68-E115 PolarHBondContact NE-OE2 2.73Å; R68-E115 IonicContact NH2-OE2 3.95Å; R68-D146 PolarHBondContact N-OD2 3.39Å; R68-D146 WeakPolarHBondContact O-CB 3.47Å; R68-D146 PolarHBondContact O-N 3.23Å
69	F	48.3	Very low	40.9	Very low	0 Å²	0	89.6 Å²	89.6	0%	0	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	118.7	-177	-71.5	-107.8	0	0	0	110.5	T67 L71 I103 F112 Y114 E115 L116 Y117 V147 V149 F447	T67-F69 WeakPolarHBondContact O-CD2 3.45Å; T67-F69 WeakPolarHBondContact O-CE2 3.44Å; T67-F69 WeakPolarHBondContact OG1-CE2 3.16Å; T67-F69 WeakPolarHBondContact OG1-CZ 3.45Å; F69-L71 PolarHBondContact O-N 3.33Å; F69-L71 VanDerWaalsContact O-N 3.1Å; F69-I103 HydrophobicContact CB-CD1 3.69Å; F69-I103 HydrophobicContact CD1-CD1 3.32Å; F69-I103 HydrophobicContact CD1-CG1 4.22Å; F69-I103 HydrophobicContact CD2-CD1 4.35Å; F69-I103 HydrophobicContact CE1-CD1 3.94Å; F69-I103 HydrophobicContact CE1-CG1 4.4Å; F69-I103 HydrophobicContact CG-CD1 3.54Å; F69-F112 HydrophobicContact CD2-CE2 4.3Å; F69-F112 HydrophobicContact CE1-CD2 4.38Å; F69-F112 AromaticContact CE1-CE2 3.68Å; F69-F112 HydrophobicContact CE1-CE2 3.68Å; F69-F112 AromaticContact CE1-CZ 3.92Å; F69-F112 HydrophobicContact CE1-CZ 3.92Å; F69-F112 AromaticContact CE2-CD2 3.41Å; F69-F112 HydrophobicContact CE2-CD2 3.41Å; F69-F112 VanDerWaalsContact CE2-CD2 3.41Å; F69-F112 AromaticContact CE2-CE2 3.4Å; F69-F112 HydrophobicContact CE2-CE2 3.4Å; F69-F112 VanDerWaalsContact CE2-CE2 3.4Å; F69-F112 HydrophobicContact CE2-CG 4.41Å; F69-F112 HydrophobicContact CE2-CZ 4.39Å; F69-F112 AromaticContact CZ-CD2 3.32Å; F69-F112 HydrophobicContact CZ-CD2 3.32Å; F69-F112 HydrophobicContact CZ-CE1 4.3Å; F69-F112 AromaticContact CZ-CE2 3.02Å; F69-F112 HydrophobicContact CZ-CE2 3.02Å; F69-F112 HydrophobicContact CZ-CG 4.1Å; F69-F112 AromaticContact CZ-CZ 3.59Å; F69-F112 HydrophobicContact CZ-CZ 3.59Å; F69-Y114 HydrophobicContact CD2-CG 4.23Å; F69-Y114 VanDerWaalsContact CE2-CB 3.44Å; F69-E115 CarbonylContact C-O 3.47Å; F69-E115 PolarHBondContact N-O 2.92Å; F69-L116 WeakPolarHBondContact O-CA 3.42Å; F69-Y117 PolarHBondContact O-N 3.2Å; F69-V147 HydrophobicContact CD1-CB 3.75Å; F69-V147 HydrophobicContact CD1-CG1 3.85Å; F69-V147 HydrophobicContact CD1-CG2 4.32Å; F69-V147 HydrophobicContact CE1-CB 4.01Å; F69-V147 HydrophobicContact CE1-CG1 3.97Å; F69-V147 HydrophobicContact CE1-CG2 4.13Å; F69-V147 HydrophobicContact CG-CB 4.43Å; F69-V149 HydrophobicContact CD1-CG2 4.38Å; F69-F447 HydrophobicContact CE1-CE1 4.13Å; F69-F447 HydrophobicContact CE1-CE2 4.21Å; F69-F447 AromaticContact CE1-CZ 3.47Å; F69-F447 HydrophobicContact CE1-CZ 3.47Å; F69-F447 VanDerWaalsContact CE1-CZ 3.47Å; F69-F447 HydrophobicContact CZ-CE1 4.43Å; F69-F447 AromaticContact CZ-CZ 3.66Å; F69-F447 HydrophobicContact CZ-CZ 3.66Å
70	L	47.4	Very low	43.4	Very low	0 Å²	0	81.7 Å²	81.7	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	104.4	169.7	-110.1	167.6	0	0	0	109.3	Y117 V119 I136 D139 I140 A145 V147 S148 V149	L70-Y117 HydrophobicContact CD2-CD1 3.47Å; L70-Y117 VanDerWaalsContact CD2-CD1 3.47Å; L70-Y117 HydrophobicContact CD2-CE1 4.01Å; L70-Y117 HydrophobicContact CG-CD1 3.9Å; L70-V119 HydrophobicContact CD2-CG2 3.3Å; L70-I136 HydrophobicContact CD1-CG2 4.42Å; L70-D139 HydrophobicContact CD1-CB 3.92Å; L70-I140 HydrophobicContact CD1-CG1 3.79Å; L70-A145 HydrophobicContact CB-CB 3.98Å; L70-A145 HydrophobicContact CD1-CB 3.22Å; L70-A145 HydrophobicContact CD2-CB 4.45Å; L70-A145 HydrophobicContact CG-CB 3.23Å; L70-V147 WeakPolarHBondContact CA-O 3.5Å; L70-V147 VanDerWaalsContact CB-O 3.24Å; L70-V147 WeakPolarHBondContact CB-O 3.21Å; L70-V147 PolarHBondContact N-O 3.47Å; L70-S148 WeakPolarHBondContact O-CA 2.77Å; L70-V149 PolarHBondContact O-N 3.47Å
71	L	45	Very low	46.2	Very low	1 Å²	1	79 Å²	79	1%	0.005	35%	0.354	C	S	.	.			trans	-128.7	95.5	170	-90.2	161.9	0	0	0	104.7	F69 Y73 I83 I100 I103 L116 Y117 V149	F69-L71 PolarHBondContact O-N 3.33Å; F69-L71 VanDerWaalsContact O-N 3.1Å; L71-Y73 PolarHBondContact O-N 2.94Å; L71-I83 HydrophobicContact CB-CD1 4.45Å; L71-I83 HydrophobicContact CD2-CD1 3.65Å; L71-I83 HydrophobicContact CD2-CG1 4.27Å; L71-I100 HydrophobicContact CD1-CD1 3.99Å; L71-I100 HydrophobicContact CD2-CD1 4Å; L71-I100 HydrophobicContact CG-CD1 4.44Å; L71-I103 HydrophobicContact CD1-CB 4.35Å; L71-I103 HydrophobicContact CD1-CD1 3.63Å; L71-I103 HydrophobicContact CD1-CG2 3.87Å; L71-L116 HydrophobicContact CB-CB 4.37Å; L71-L116 HydrophobicContact CB-CD2 3.45Å; L71-L116 VanDerWaalsContact CB-CD2 3.45Å; L71-L116 HydrophobicContact CB-CG 4.46Å; L71-L116 HydrophobicContact CD1-CD2 3.06Å; L71-L116 HydrophobicContact CG-CD2 3.78Å; L71-Y117 CarbonylContact C-O 3.54Å; L71-Y117 PolarHBondContact N-O 3.17Å; L71-Y117 CarbonylContact O-C 3.58Å; L71-V149 HydrophobicContact CD2-CB 4.06Å; L71-V149 WeakPolarHBondContact CD2-O 3.38Å; L71-V149 HydrophobicContact CG-CB 4.35Å
72	S	36.5	Very low	49.1	Very low	3 Å²	3	69.4 Å²	69.4	2%	0.021	31%	0.31	C	S	.	.			trans	-53.3	108.2	-176.3	-170.4	0	0	0	0	109.5	F77 I83	S72-F77 WeakPolarHBondContact OG-CD1 2.77Å; S72-I83 VanDerWaalsContact O-CD1 3.31Å; S72-I83 WeakPolarHBondContact O-CD1 3.14Å
73	Y	32.9	Very low	51.6	Low	70 Å²	70	62.9 Å²	62.9	28%	0.275	28%	0.279	S	S	.	.			trans	-130.1	95.3	170.2	173.3	-115.2	0	0	0	109.6	L71 L95 E118	L71-Y73 PolarHBondContact O-N 2.94Å; Y73-L95 HydrophobicContact CD1-CD1 4Å; Y73-L95 HydrophobicContact CD1-CD2 4.15Å; Y73-L95 HydrophobicContact CD2-CD1 4.2Å; Y73-L95 HydrophobicContact CD2-CD2 3.11Å; Y73-L95 HydrophobicContact CD2-CG 4.21Å; Y73-L95 HydrophobicContact CE1-CD2 4.33Å; Y73-L95 HydrophobicContact CE2-CD2 3.35Å; Y73-L95 HydrophobicContact CG-CD1 3.69Å; Y73-L95 HydrophobicContact CG-CD2 3.53Å; Y73-L95 HydrophobicContact CG-CG 4.17Å; Y73-E118 WeakPolarHBondContact O-CB 3.45Å; Y73-E118 WeakPolarHBondContact O-CG 3.21Å
74	G	28.6	Very low	54	Low	0 Å²	0	52 Å²	52	0%	0	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-119	156.2	167.1	0	0	0	0	0	112.4	Y76 F77 E118	G74-Y76 PolarHBondContact O-N 3.07Å; G74-F77 PolarHBondContact O-N 3.26Å; G74-E118 WeakPolarHBondContact CA-OE1 3.36Å
75	Q	29.3	Very low	56.1	Low	163 Å²	163	47 Å²	47	76%	0.762	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-18.9	174.6	-115.5	-178.7	-10.5	0	0	112.9
76	Y	37.4	Very low	58.7	Low	201 Å²	201	46.4 Å²	46.4	79%	0.788	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.7	-3.6	-177.3	-61.4	-76.9	0	0	0	114.8	G74	G74-Y76 PolarHBondContact O-N 3.07Å
77	F	53.2	Low	60.7	Low	41 Å²	41	48 Å²	48	18%	0.18	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-130.5	71.2	179.2	-156.4	-101	0	0	0	112.1	S72 G74 T122 F124	S72-F77 WeakPolarHBondContact OG-CD1 2.77Å; G74-F77 PolarHBondContact O-N 3.26Å; F77-T122 HydrophobicContact CB-CG2 3.74Å; F77-T122 WeakPolarHBondContact CD2-O 3.38Å; F77-T122 WeakPolarHBondContact CE2-O 3.3Å; F77-T122 WeakPolarHBondContact CG-O 3.47Å; F77-F124 HydrophobicContact CE1-CE1 4.3Å; F77-F124 HydrophobicContact CE1-CZ 4.15Å; F77-F124 HydrophobicContact CE2-CE2 4.48Å; F77-F124 HydrophobicContact CZ-CD2 4.16Å; F77-F124 HydrophobicContact CZ-CE1 4.13Å; F77-F124 AromaticContact CZ-CE2 3.66Å; F77-F124 HydrophobicContact CZ-CE2 3.66Å; F77-F124 AromaticContact CZ-CZ 3.64Å; F77-F124 HydrophobicContact CZ-CZ 3.64Å
78	Q	64.3	Low	62.2	Low	80 Å²	80	49.5 Å²	49.5	37%	0.374	22%	0.22	S	C	.	.			trans	-91.4	125.9	163	-58.8	-168.6	6	0	0	107.6	P80 S85	Q78-P80 WeakPolarHBondContact O-CD 3.35Å; Q78-S85 VanDerWaalsContact NE2-CB 3.3Å; Q78-S85 PolarHBondContact NE2-OG 3.04Å; Q78-S85 PolarHBondContact OE1-OG 3.28Å
79	Q	75.1	Confident	64.3	Low	18 Å²	18	53 Å²	53	8%	0.084	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-110.2	75.5	176	-167.5	-169.8	1.5	0	0	108.2	P81 F82 I83	Q79-P81 CarbonylContact O-C 3.6Å; Q79-F82 HydrophobicContact CB-CB 4.49Å; Q79-F82 HydrophobicContact CG-CD2 3.87Å; Q79-F82 WeakPolarHBondContact O-CA 3.31Å; Q79-F82 WeakPolarHBondContact O-CB 3.44Å; Q79-F82 PolarHBondContact O-N 3.32Å; Q79-I83 CarbonylContact C-O 3.19Å; Q79-I83 PolarHBondContact N-O 3.47Å; Q79-I83 VanDerWaalsContact N-O 3.14Å; Q79-I83 PolarHBondContact O-N 2.96Å; Q79-I83 VanDerWaalsContact O-N 3.08Å
80	P	80.6	Confident	66.1	Low	40 Å²	40	61.4 Å²	61.4	26%	0.26	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	129.6	177.2	31.6	-38.5	0	0	0	109	Q78 E84 L413	Q78-P80 WeakPolarHBondContact O-CD 3.35Å; P80-E84 WeakPolarHBondContact CA-OE1 3.37Å; P80-E84 HydrophobicContact CB-CG 3.64Å; P80-E84 WeakPolarHBondContact CB-OE1 2.96Å; P80-L413 VanDerWaalsContact C-CD2 3.41Å; P80-L413 HydrophobicContact CB-CD2 3.51Å; P80-L413 HydrophobicContact CG-CD2 4.33Å
81	P	86.6	Confident	67.8	Low	0 Å²	0	63 Å²	63	0%	0	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	cis	-101.9	11.2	11.4	36.9	-31.9	0	0	0	115	Q79 G97 Y98 L413 W467 W468	Q79-P81 CarbonylContact O-C 3.6Å; P81-G97 CarbonylContact O-C 3.51Å; P81-G97 WeakPolarHBondContact O-CA 3.44Å; P81-Y98 PolarHBondContact O-N 3.4Å; P81-L413 HydrophobicContact CB-CD1 4.42Å; P81-L413 HydrophobicContact CB-CD2 3.78Å; P81-L413 HydrophobicContact CG-CD2 4.18Å; P81-W467 HydrophobicContact CB-CB 4.12Å; P81-W467 HydrophobicContact CB-CE3 4.1Å; P81-W467 HydrophobicContact CG-CB 4.48Å; P81-W468 HydrophobicContact CG-CD2 3.86Å; P81-W468 HydrophobicContact CG-CE3 4.18Å; P81-W468 HydrophobicContact CG-CH2 3.66Å; P81-W468 HydrophobicContact CG-CZ2 3.25Å; P81-W468 HydrophobicContact CG-CZ3 4.1Å
82	F	88.8	Confident	69.7	Low	0 Å²	0	68.6 Å²	68.6	0%	0	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-48.3	179.8	-64.4	-86	0	0	0	112.4	Q79 G97 Y98 S99 A409 Y433 W468	Q79-F82 HydrophobicContact CB-CB 4.49Å; Q79-F82 HydrophobicContact CG-CD2 3.87Å; Q79-F82 WeakPolarHBondContact O-CA 3.31Å; Q79-F82 WeakPolarHBondContact O-CB 3.44Å; Q79-F82 PolarHBondContact O-N 3.32Å; F82-G97 CarbonylContact O-C 3.47Å; F82-G97 VanDerWaalsContact O-C 3.31Å; F82-G97 VanDerWaalsContact O-CA 3.27Å; F82-G97 WeakPolarHBondContact O-CA 3.3Å; F82-Y98 AromaticContact CD1-CD1 3.88Å; F82-Y98 HydrophobicContact CD1-CD1 3.88Å; F82-Y98 AromaticContact CE1-CD1 3.99Å; F82-Y98 HydrophobicContact CE1-CD1 3.99Å; F82-Y98 HydrophobicContact CE1-CE1 4.48Å; F82-Y98 PolarHBondContact O-N 3.3Å; F82-S99 WeakPolarHBondContact O-CB 3.16Å; F82-S99 PolarHBondContact O-N 3.1Å; F82-A409 HydrophobicContact CE2-CB 3.98Å; F82-A409 HydrophobicContact CZ-CB 4.09Å; F82-Y433 HydrophobicContact CE1-CD2 4.02Å; F82-Y433 HydrophobicContact CE1-CE2 4.28Å; F82-Y433 HydrophobicContact CE2-CE2 4.33Å; F82-Y433 AromaticContact CZ-CD2 3.71Å; F82-Y433 HydrophobicContact CZ-CD2 3.71Å; F82-Y433 AromaticContact CZ-CE2 3.5Å; F82-Y433 HydrophobicContact CZ-CE2 3.5Å; F82-W468 HydrophobicContact CD1-CH2 4.41Å; F82-W468 AromaticContact CE1-CH2 3.87Å; F82-W468 HydrophobicContact CE1-CH2 3.87Å; F82-W468 HydrophobicContact CE1-CZ2 4.33Å; F82-W468 HydrophobicContact CE2-CH2 4.24Å; F82-W468 AromaticContact CE2-CZ2 3.93Å; F82-W468 HydrophobicContact CE2-CZ2 3.93Å; F82-W468 AromaticContact CZ-CH2 3.76Å; F82-W468 HydrophobicContact CZ-CH2 3.76Å; F82-W468 AromaticContact CZ-CZ2 3.75Å; F82-W468 HydrophobicContact CZ-CZ2 3.75Å
83	I	87.7	Confident	71.9	Confident	6 Å²	6	76.3 Å²	76.3	3%	0.031	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-143.1	117.5	179.1	-53.3	173.8	0	0	0	108.6	L71 S72 Q79 L95	L71-I83 HydrophobicContact CB-CD1 4.45Å; L71-I83 HydrophobicContact CD2-CD1 3.65Å; L71-I83 HydrophobicContact CD2-CG1 4.27Å; S72-I83 VanDerWaalsContact O-CD1 3.31Å; S72-I83 WeakPolarHBondContact O-CD1 3.14Å; Q79-I83 CarbonylContact C-O 3.19Å; Q79-I83 PolarHBondContact N-O 3.47Å; Q79-I83 VanDerWaalsContact N-O 3.14Å; Q79-I83 PolarHBondContact O-N 2.96Å; Q79-I83 VanDerWaalsContact O-N 3.08Å; I83-L95 HydrophobicContact CG2-CD2 4.1Å
84	E	84.7	Confident	74.4	Confident	6 Å²	6	73.8 Å²	73.8	3%	0.028	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	140.7	175.6	-60.6	-166.2	-171.3	0	0	110.2	P80 Q96 H471 K473	P80-E84 WeakPolarHBondContact CA-OE1 3.37Å; P80-E84 HydrophobicContact CB-CG 3.64Å; P80-E84 WeakPolarHBondContact CB-OE1 2.96Å; E84-Q96 HydrophobicContact CB-CG 4.36Å; E84-Q96 PolarHBondContact N-O 3.1Å; E84-Q96 PolarHBondContact O-N 3.3Å; E84-Q96 VanDerWaalsContact O-O 3.05Å; E84-H471 IonicContact OE1-CE1 3.29Å; E84-H471 IonicContact OE1-NE2 3.04Å; E84-H471 PolarHBondContact OE1-NE2 2.83Å; E84-H471 IonicContact OE2-CE1 3.08Å; E84-H471 IonicContact OE2-NE2 2.68Å; E84-K473 IonicContact OE2-NZ 2.98Å; E84-K473 PolarHBondContact OE2-NZ 3.48Å
85	S	84	Confident	77.1	Confident	19 Å²	19	75.6 Å²	75.6	13%	0.133	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	137.9	165.5	65.7	0	0	0	0	109.9	Q78 G94	Q78-S85 VanDerWaalsContact NE2-CB 3.3Å; Q78-S85 PolarHBondContact NE2-OG 3.04Å; Q78-S85 PolarHBondContact OE1-OG 3.28Å; S85-G94 WeakPolarHBondContact CA-O 3.41Å
86	Y	85.4	Confident	80	Confident	81 Å²	81	70.1 Å²	70.1	32%	0.318	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	153.1	169	76.5	-72.1	0	0	0	110.1	N88 W93 G94 L95 Q96	Y86-N88 WeakPolarHBondContact CE2-OD1 3.42Å; Y86-N88 VanDerWaalsContact CZ-OD1 3.24Å; Y86-N88 PolarHBondContact OH-OD1 3.22Å; Y86-W93 WeakPolarHBondContact O-CA 3.38Å; Y86-G94 VanDerWaalsContact CD1-O 3.22Å; Y86-G94 WeakPolarHBondContact CD1-O 3.09Å; Y86-G94 PolarHBondContact N-O 2.96Å; Y86-G94 PolarHBondContact O-N 3.47Å; Y86-L95 VanDerWaalsContact CE1-C 3.48Å; Y86-L95 WeakPolarHBondContact CE1-O 3.38Å; Y86-Q96 HydrophobicContact CD1-CB 3.62Å; Y86-Q96 HydrophobicContact CD1-CG 3.56Å; Y86-Q96 HydrophobicContact CE1-CB 3.83Å; Y86-Q96 HydrophobicContact CE1-CG 4.29Å; Y86-Q96 HydrophobicContact CG-CB 4.38Å; Y86-Q96 HydrophobicContact CG-CG 3.96Å
87	Q	85.7	Confident	82.5	Confident	118 Å²	118	60.5 Å²	60.5	55%	0.551	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.3	122.9	175.2	-163.8	173.3	25.6	0	0	108.7	G91 W93	Q87-G91 WeakPolarHBondContact CG-O 3.24Å; Q87-G91 PolarHBondContact NE2-O 2.89Å; Q87-W93 HydrophobicContact CB-CE3 4.42Å; Q87-W93 HydrophobicContact CB-CZ3 4.46Å
88	N	84.2	Confident	84.4	Confident	54 Å²	54	58.7 Å²	58.7	29%	0.289	28%	0.283	S	S	.	.			trans	-66	163.5	174.6	-75.6	-26	0	0	0	111.1	Y86 K90 G91 E92	Y86-N88 WeakPolarHBondContact CE2-OD1 3.42Å; Y86-N88 VanDerWaalsContact CZ-OD1 3.24Å; Y86-N88 PolarHBondContact OH-OD1 3.22Å; N88-K90 PolarHBondContact O-N 2.8Å; N88-G91 PolarHBondContact O-N 2.62Å; N88-E92 WeakPolarHBondContact CB-O 3.36Å; N88-E92 PolarHBondContact N-O 2.85Å
89	E	85.6	Confident	85.7	Confident	212 Å²	212	54.9 Å²	54.9	99%	0.991	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-25.7	172.2	-63.8	-176.3	169.1	0	0	112.9	G91	E89-G91 VanDerWaalsContact C-N 3.28Å; E89-G91 PolarHBondContact O-N 3.32Å
90	K	86.2	Confident	86.5	Confident	176 Å²	176	54.5 Å²	54.5	77%	0.765	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-3.7	175.3	-63.9	-176.6	-179	177.1	0	114.3	N88 E92	N88-K90 PolarHBondContact O-N 2.8Å; K90-E92 VanDerWaalsContact C-N 3.27Å; K90-E92 HydrophobicContact CB-CG 4.47Å; K90-E92 PolarHBondContact O-N 2.81Å
91	G	82.8	Confident	87.2	Confident	33 Å²	33	54 Å²	54	34%	0.34	26%	0.259	S	S	.	.	S	Bend	trans	82.3	-3.6	-175.1	0	0	0	0	0	114.9	Q87 N88 E89	Q87-G91 WeakPolarHBondContact CG-O 3.24Å; Q87-G91 PolarHBondContact NE2-O 2.89Å; N88-G91 PolarHBondContact O-N 2.62Å; E89-G91 VanDerWaalsContact C-N 3.28Å; E89-G91 PolarHBondContact O-N 3.32Å
92	E	85.3	Confident	87.5	Confident	119 Å²	119	54 Å²	54	56%	0.556	26%	0.259	S	S	*	.			trans	-74.3	138	176.3	-66.4	171.7	172.6	0	0	110.8	N88 K90	N88-E92 WeakPolarHBondContact CB-O 3.36Å; N88-E92 PolarHBondContact N-O 2.85Å; K90-E92 VanDerWaalsContact C-N 3.27Å; K90-E92 HydrophobicContact CB-CG 4.47Å; K90-E92 PolarHBondContact O-N 2.81Å
93	W	82	Confident	87.7	Confident	166 Å²	166	54 Å²	54	63%	0.629	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.3	124.1	175.3	-69.6	95.5	0	0	0	110.2	Y86 Q87	Y86-W93 WeakPolarHBondContact O-CA 3.38Å; Q87-W93 HydrophobicContact CB-CE3 4.42Å; Q87-W93 HydrophobicContact CB-CZ3 4.46Å
94	G	85.4	Confident	88	Confident	16 Å²	16	56.1 Å²	56.1	17%	0.165	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	169.9	171.3	0	0	0	0	0	111.6	S85 Y86	S85-G94 WeakPolarHBondContact CA-O 3.41Å; Y86-G94 VanDerWaalsContact CD1-O 3.22Å; Y86-G94 WeakPolarHBondContact CD1-O 3.09Å; Y86-G94 PolarHBondContact N-O 2.96Å; Y86-G94 PolarHBondContact O-N 3.47Å
95	L	85.5	Confident	88.4	Confident	38 Å²	38	57.5 Å²	57.5	20%	0.199	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	134.2	172.9	-65.9	168.9	0	0	0	110.7	Y73 I83 Y86 I100 L116	Y73-L95 HydrophobicContact CD1-CD1 4Å; Y73-L95 HydrophobicContact CD1-CD2 4.15Å; Y73-L95 HydrophobicContact CD2-CD1 4.2Å; Y73-L95 HydrophobicContact CD2-CD2 3.11Å; Y73-L95 HydrophobicContact CD2-CG 4.21Å; Y73-L95 HydrophobicContact CE1-CD2 4.33Å; Y73-L95 HydrophobicContact CE2-CD2 3.35Å; Y73-L95 HydrophobicContact CG-CD1 3.69Å; Y73-L95 HydrophobicContact CG-CD2 3.53Å; Y73-L95 HydrophobicContact CG-CG 4.17Å; I83-L95 HydrophobicContact CG2-CD2 4.1Å; Y86-L95 VanDerWaalsContact CE1-C 3.48Å; Y86-L95 WeakPolarHBondContact CE1-O 3.38Å; L95-I100 HydrophobicContact CB-CD1 4.44Å; L95-I100 HydrophobicContact CB-CG1 4.41Å; L95-L116 HydrophobicContact CD1-CD1 3.81Å
96	Q	89.9	Confident	88.8	Confident	48 Å²	48	56.6 Å²	56.6	22%	0.224	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	159.5	174.1	66.5	177.7	7.2	0	0	109.1	E84 Y86 W467	E84-Q96 HydrophobicContact CB-CG 4.36Å; E84-Q96 PolarHBondContact N-O 3.1Å; E84-Q96 PolarHBondContact O-N 3.3Å; E84-Q96 VanDerWaalsContact O-O 3.05Å; Y86-Q96 HydrophobicContact CD1-CB 3.62Å; Y86-Q96 HydrophobicContact CD1-CG 3.56Å; Y86-Q96 HydrophobicContact CE1-CB 3.83Å; Y86-Q96 HydrophobicContact CE1-CG 4.29Å; Y86-Q96 HydrophobicContact CG-CB 4.38Å; Y86-Q96 HydrophobicContact CG-CG 3.96Å; Q96-W467 HydrophobicContact CB-CH2 3.91Å; Q96-W467 HydrophobicContact CB-CZ2 4.49Å; Q96-W467 HydrophobicContact CG-CH2 3.86Å; Q96-W467 HydrophobicContact CG-CZ3 4.48Å
97	G	90.5	Very high	89.1	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.269	C	S	.	.	S	Bend	trans	152.1	172.4	176.1	0	0	0	0	0	111.4	P81 F82 S99 I100 D101 W467	P81-G97 CarbonylContact O-C 3.51Å; P81-G97 WeakPolarHBondContact O-CA 3.44Å; F82-G97 CarbonylContact O-C 3.47Å; F82-G97 VanDerWaalsContact O-C 3.31Å; F82-G97 VanDerWaalsContact O-CA 3.27Å; F82-G97 WeakPolarHBondContact O-CA 3.3Å; G97-S99 VanDerWaalsContact C-N 3.3Å; G97-S99 PolarHBondContact O-N 3.25Å; G97-I100 PolarHBondContact O-N 2.72Å; G97-D101 PolarHBondContact O-N 3.06Å; G97-W467 VanDerWaalsContact C-CZ2 3.43Å; G97-W467 VanDerWaalsContact N-CH2 3.28Å; G97-W467 VanDerWaalsContact N-CZ2 3.27Å
98	Y	93.2	Very high	89.4	Confident	2 Å²	2	56.3 Å²	56.3	1%	0.008	27%	0.27	C	S	.	.	H	α-helix	trans	-57.9	-42.2	179.8	176	-99.2	0	0	0	112.3	P81 F82 I100 D101 L102 H168 Y169 L463 W467 W468	P81-Y98 PolarHBondContact O-N 3.4Å; F82-Y98 AromaticContact CD1-CD1 3.88Å; F82-Y98 HydrophobicContact CD1-CD1 3.88Å; F82-Y98 AromaticContact CE1-CD1 3.99Å; F82-Y98 HydrophobicContact CE1-CD1 3.99Å; F82-Y98 HydrophobicContact CE1-CE1 4.48Å; F82-Y98 PolarHBondContact O-N 3.3Å; Y98-I100 PolarHBondContact O-N 2.89Å; Y98-D101 PolarHBondContact O-N 3.24Å; Y98-L102 HydrophobicContact CE1-CD2 4.41Å; Y98-L102 VanDerWaalsContact O-CB 3.26Å; Y98-L102 WeakPolarHBondContact O-CB 3.35Å; Y98-L102 PolarHBondContact O-N 3.24Å; Y98-H168 AromaticContact CE1-CD2 3.64Å; Y98-H168 PolarHBondContact OH-O 3.14Å; Y98-Y169 HydrophobicContact CE1-CD2 4.34Å; Y98-L463 HydrophobicContact CD2-CB 3.84Å; Y98-L463 HydrophobicContact CE2-CB 3.58Å; Y98-W467 AromaticContact CD2-CD1 3.95Å; Y98-W468 HydrophobicContact CD1-CH2 4.21Å; Y98-W468 HydrophobicContact CD1-CZ3 4.24Å; Y98-W468 AromaticContact CD2-CZ3 3.76Å; Y98-W468 HydrophobicContact CD2-CZ3 3.76Å; Y98-W468 HydrophobicContact CE2-CZ3 4.34Å; Y98-W468 HydrophobicContact CG-CH2 4.04Å; Y98-W468 AromaticContact CG-CZ3 3.7Å; Y98-W468 HydrophobicContact CG-CZ3 3.7Å
99	S	91.8	Very high	89.7	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-67.2	-36.1	178.7	-70.6	0	0	0	0	112.7	F82 G97 L102 I103 V149	F82-S99 WeakPolarHBondContact O-CB 3.16Å; F82-S99 PolarHBondContact O-N 3.1Å; G97-S99 VanDerWaalsContact C-N 3.3Å; G97-S99 PolarHBondContact O-N 3.25Å; S99-L102 PolarHBondContact O-N 3.35Å; S99-I103 WeakPolarHBondContact O-CG2 3.2Å; S99-I103 PolarHBondContact O-N 3.09Å; S99-V149 WeakPolarHBondContact CB-O 3.28Å; S99-V149 PolarHBondContact OG-O 3.11Å
100	I	91.8	Very high	89.9	Confident	11 Å²	11	48.8 Å²	48.8	6%	0.056	23%	0.234	C	C	.	.	H	α-helix	trans	-70.5	-41.8	178.7	-55.7	-58.9	0	0	0	110.6	L71 L95 G97 Y98 L102 I103 N104 L116	L71-I100 HydrophobicContact CD1-CD1 3.99Å; L71-I100 HydrophobicContact CD2-CD1 4Å; L71-I100 HydrophobicContact CG-CD1 4.44Å; L95-I100 HydrophobicContact CB-CD1 4.44Å; L95-I100 HydrophobicContact CB-CG1 4.41Å; G97-I100 PolarHBondContact O-N 2.72Å; Y98-I100 PolarHBondContact O-N 2.89Å; I100-L102 VanDerWaalsContact C-N 3.35Å; I100-I103 WeakPolarHBondContact O-CG2 2.98Å; I100-N104 WeakPolarHBondContact O-CB 2.98Å; I100-N104 PolarHBondContact O-N 3.04Å; I100-N104 VanDerWaalsContact O-N 3.16Å; I100-N104 PolarHBondContact O-ND2 3.02Å; I100-L116 HydrophobicContact CD1-CD1 4.4Å; I100-L116 HydrophobicContact CD1-CD2 4.42Å
101	D	94	Very high	90.1	Very high	30 Å²	30	46.6 Å²	46.6	16%	0.16	23%	0.231	C	C	.	.	H	α-helix	trans	-66.7	-39.4	174.7	-72.6	-15.1	0	0	0	111.4	G97 Y98 N104 E105 L463 K466 W467	G97-D101 PolarHBondContact O-N 3.06Å; Y98-D101 PolarHBondContact O-N 3.24Å; D101-N104 PolarHBondContact O-N 3.11Å; D101-E105 PolarHBondContact O-N 3.48Å; D101-L463 HydrophobicContact CB-CD1 4.46Å; D101-L463 HydrophobicContact CB-CD2 3.63Å; D101-K466 IonicContact OD1-NZ 2.94Å; D101-K466 IonicContact OD2-NZ 3.5Å; D101-K466 PolarHBondContact OD2-NZ 3.06Å; D101-W467 WeakPolarHBondContact OD2-CZ2 3.28Å; D101-W467 PolarHBondContact OD2-NE1 3.49Å
102	L	93.9	Very high	90.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62.4	-47.9	177.9	177.9	62.9	0	0	0	112	Y98 S99 I100 N104 E105 L106 V149 H168 L454 L460	Y98-L102 HydrophobicContact CE1-CD2 4.41Å; Y98-L102 VanDerWaalsContact O-CB 3.26Å; Y98-L102 WeakPolarHBondContact O-CB 3.35Å; Y98-L102 PolarHBondContact O-N 3.24Å; S99-L102 PolarHBondContact O-N 3.35Å; I100-L102 VanDerWaalsContact C-N 3.35Å; L102-N104 VanDerWaalsContact C-N 3.28Å; L102-N104 PolarHBondContact O-N 3.44Å; L102-E105 PolarHBondContact O-N 2.95Å; L102-L106 HydrophobicContact CD1-CD1 4.45Å; L102-L106 HydrophobicContact CG-CD1 4.21Å; L102-L106 WeakPolarHBondContact O-CG 3.19Å; L102-L106 PolarHBondContact O-N 3.43Å; L102-V149 HydrophobicContact CD2-CG1 4.03Å; L102-H168 HydrophobicContact CD2-CB 3.71Å; L102-L454 HydrophobicContact CD1-CD1 4.09Å; L102-L460 HydrophobicContact CD1-CD2 3.57Å
103	I	92.3	Very high	90.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-64.9	-34.2	178.5	-166.6	172.1	0	0	0	111.6	F69 L71 S99 I100 L106 Q107 F112 Y114 V149	F69-I103 HydrophobicContact CB-CD1 3.69Å; F69-I103 HydrophobicContact CD1-CD1 3.32Å; F69-I103 HydrophobicContact CD1-CG1 4.22Å; F69-I103 HydrophobicContact CD2-CD1 4.35Å; F69-I103 HydrophobicContact CE1-CD1 3.94Å; F69-I103 HydrophobicContact CE1-CG1 4.4Å; F69-I103 HydrophobicContact CG-CD1 3.54Å; L71-I103 HydrophobicContact CD1-CB 4.35Å; L71-I103 HydrophobicContact CD1-CD1 3.63Å; L71-I103 HydrophobicContact CD1-CG2 3.87Å; S99-I103 WeakPolarHBondContact O-CG2 3.2Å; S99-I103 PolarHBondContact O-N 3.09Å; I100-I103 WeakPolarHBondContact O-CG2 2.98Å; I103-L106 PolarHBondContact O-N 3.02Å; I103-Q107 VanDerWaalsContact O-CB 3.31Å; I103-Q107 WeakPolarHBondContact O-CB 3.48Å; I103-Q107 PolarHBondContact O-N 3.34Å; I103-F112 HydrophobicContact CD1-CE2 4.47Å; I103-F112 HydrophobicContact CG1-CE2 4.13Å; I103-F112 HydrophobicContact CG1-CZ 4.04Å; I103-Y114 HydrophobicContact CD1-CD1 3.86Å; I103-Y114 HydrophobicContact CD1-CD2 3.9Å; I103-Y114 HydrophobicContact CD1-CE1 4.14Å; I103-Y114 HydrophobicContact CD1-CE2 4.25Å; I103-Y114 HydrophobicContact CD1-CG 3.72Å; I103-Y114 HydrophobicContact CG1-CD1 3.94Å; I103-Y114 HydrophobicContact CG1-CE1 3.95Å; I103-Y114 HydrophobicContact CG1-CG 4.33Å; I103-Y114 HydrophobicContact CG2-CE1 4.08Å; I103-Y114 HydrophobicContact CG2-CE2 4.34Å; I103-V149 HydrophobicContact CD1-CG2 4.35Å
104	N	93.4	Very high	90.5	Very high	49 Å²	49	39.1 Å²	39.1	26%	0.262	20%	0.198	S	C	.	.	H	α-helix	trans	-65.6	-38.5	174.6	-75.9	-30.8	0	0	0	112.4	I100 D101 L102 Q107 K108 Y114	I100-N104 WeakPolarHBondContact O-CB 2.98Å; I100-N104 PolarHBondContact O-N 3.04Å; I100-N104 VanDerWaalsContact O-N 3.16Å; I100-N104 PolarHBondContact O-ND2 3.02Å; D101-N104 PolarHBondContact O-N 3.11Å; L102-N104 VanDerWaalsContact C-N 3.28Å; L102-N104 PolarHBondContact O-N 3.44Å; N104-Q107 PolarHBondContact O-N 3.34Å; N104-K108 WeakPolarHBondContact O-CG 3.32Å; N104-K108 PolarHBondContact O-N 2.81Å; N104-K108 VanDerWaalsContact O-N 3.17Å; N104-Y114 PolarHBondContact OD1-OH 3.13Å
105	E	94	Very high	90.4	Very high	35 Å²	35	43.4 Å²	43.4	16%	0.164	21%	0.214	C	C	.	.	H	α-helix	trans	-66.9	-43.5	172.5	-73	-57.7	124.8	0	0	111.3	D101 L102 Q107 K108 E109 L454 K459 L463	D101-E105 PolarHBondContact O-N 3.48Å; L102-E105 PolarHBondContact O-N 2.95Å; E105-Q107 VanDerWaalsContact C-N 3.3Å; E105-Q107 PolarHBondContact O-N 3.06Å; E105-K108 PolarHBondContact O-N 3.21Å; E105-K108 IonicContact OE1-NZ 3.66Å; E105-K108 PolarHBondContact OE1-NZ 3.24Å; E105-E109 WeakPolarHBondContact O-CG 3.18Å; E105-E109 PolarHBondContact O-N 3.04Å; E105-E109 VanDerWaalsContact O-N 3.14Å; E105-L454 HydrophobicContact CB-CD1 4.11Å; E105-L454 HydrophobicContact CB-CD2 4.12Å; E105-K459 WeakPolarHBondContact OE2-CE 3.29Å; E105-K459 IonicContact OE2-NZ 2.73Å; E105-K459 PolarHBondContact OE2-NZ 3.33Å; E105-L463 HydrophobicContact CG-CD1 4.49Å
106	L	92.5	Very high	90.3	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-61.5	-39.1	175	-68.9	171.2	0	0	0	112.1	L102 I103 K108 E109 L110 F112 I435 F447 A450 I451 L454	L102-L106 HydrophobicContact CD1-CD1 4.45Å; L102-L106 HydrophobicContact CG-CD1 4.21Å; L102-L106 WeakPolarHBondContact O-CG 3.19Å; L102-L106 PolarHBondContact O-N 3.43Å; I103-L106 PolarHBondContact O-N 3.02Å; L106-K108 VanDerWaalsContact C-N 3.33Å; L106-K108 PolarHBondContact O-N 2.92Å; L106-E109 PolarHBondContact O-N 2.82Å; L106-L110 WeakPolarHBondContact O-CB 3.46Å; L106-L110 PolarHBondContact O-N 3.2Å; L106-F112 VanDerWaalsContact C-CE1 3.44Å; L106-F112 HydrophobicContact CB-CE1 4Å; L106-F112 HydrophobicContact CB-CZ 4.06Å; L106-F112 WeakPolarHBondContact O-CE1 3.46Å; L106-I435 HydrophobicContact CD1-CD1 3.51Å; L106-F447 HydrophobicContact CB-CE1 4.43Å; L106-F447 HydrophobicContact CD1-CD1 3.98Å; L106-F447 HydrophobicContact CD1-CE1 4.28Å; L106-F447 HydrophobicContact CD2-CD1 4.33Å; L106-A450 HydrophobicContact CD2-CB 3.64Å; L106-I451 HydrophobicContact CD2-CG1 4.16Å; L106-L454 HydrophobicContact CD2-CD1 3.73Å; L106-L454 HydrophobicContact CG-CD1 4.14Å
107	Q	91.2	Very high	89.8	Confident	62 Å²	62	46.4 Å²	46.4	29%	0.29	23%	0.226	S	C	.	.	H	α-helix	trans	-59.9	-43	175.7	171.1	173.5	18.1	0	0	111.5	I103 N104 E105 E109 N111 F112 Y114	I103-Q107 VanDerWaalsContact O-CB 3.31Å; I103-Q107 WeakPolarHBondContact O-CB 3.48Å; I103-Q107 PolarHBondContact O-N 3.34Å; N104-Q107 PolarHBondContact O-N 3.34Å; E105-Q107 VanDerWaalsContact C-N 3.3Å; E105-Q107 PolarHBondContact O-N 3.06Å; Q107-E109 VanDerWaalsContact C-N 3.33Å; Q107-N111 WeakPolarHBondContact O-CA 3.41Å; Q107-N111 PolarHBondContact O-N 3.02Å; Q107-F112 HydrophobicContact CB-CE1 4.31Å; Q107-F112 HydrophobicContact CB-CE2 4.18Å; Q107-F112 HydrophobicContact CB-CZ 4Å; Q107-F112 VanDerWaalsContact CG-O 3.3Å; Q107-F112 WeakPolarHBondContact CG-O 2.96Å; Q107-F112 PolarHBondContact NE2-O 2.97Å; Q107-Y114 HydrophobicContact CB-CD1 4.5Å; Q107-Y114 HydrophobicContact CB-CE1 4.34Å
108	K	92.5	Very high	89.3	Confident	131 Å²	131	50.6 Å²	50.6	57%	0.57	25%	0.245	S	C	*	.	H	α-helix	trans	-65.8	-36.5	178.1	-69	169.2	-168	168.8	0	112.4	N104 E105 L106	N104-K108 WeakPolarHBondContact O-CG 3.32Å; N104-K108 PolarHBondContact O-N 2.81Å; N104-K108 VanDerWaalsContact O-N 3.17Å; E105-K108 PolarHBondContact O-N 3.21Å; E105-K108 IonicContact OE1-NZ 3.66Å; E105-K108 PolarHBondContact OE1-NZ 3.24Å; L106-K108 VanDerWaalsContact C-N 3.33Å; L106-K108 PolarHBondContact O-N 2.92Å
109	E	90.1	Very high	88.9	Confident	53 Å²	53	50.5 Å²	50.5	25%	0.248	25%	0.245	C	C	.	.	H	α-helix	trans	-76.7	-35.9	-178.8	-64.8	-59.6	155.9	0	0	112.7	E105 L106 Q107 K453 L454 K459	E105-E109 WeakPolarHBondContact O-CG 3.18Å; E105-E109 PolarHBondContact O-N 3.04Å; E105-E109 VanDerWaalsContact O-N 3.14Å; L106-E109 PolarHBondContact O-N 2.82Å; Q107-E109 VanDerWaalsContact C-N 3.33Å; E109-K453 WeakPolarHBondContact OE2-CE 3.47Å; E109-K453 IonicContact OE2-NZ 3.77Å; E109-K453 PolarHBondContact OE2-NZ 3.35Å; E109-L454 HydrophobicContact CG-CD2 3.97Å; E109-K459 IonicContact OE1-NZ 2.7Å; E109-K459 PolarHBondContact OE1-NZ 3.36Å
110	L	89.6	Confident	88.3	Confident	54 Å²	54	54.8 Å²	54.8	28%	0.283	28%	0.281	S	S	.	.	H	α-helix	trans	-108.1	-6.7	-172.5	-65.9	175.2	0	0	0	114.1	L106 F112 T446 F447 A450	L106-L110 WeakPolarHBondContact O-CB 3.46Å; L106-L110 PolarHBondContact O-N 3.2Å; L110-F112 VanDerWaalsContact C-N 3.33Å; L110-F112 HydrophobicContact CB-CD1 3.64Å; L110-F112 HydrophobicContact CB-CE1 4.01Å; L110-F112 HydrophobicContact CD1-CD1 4.33Å; L110-F112 HydrophobicContact CD1-CE1 4.14Å; L110-F112 PolarHBondContact O-N 3.09Å; L110-T446 HydrophobicContact CD1-CG2 3.96Å; L110-T446 HydrophobicContact CD2-CG2 3.69Å; L110-T446 HydrophobicContact CG-CG2 4.45Å; L110-F447 HydrophobicContact CD1-CD1 3.79Å; L110-F447 HydrophobicContact CD1-CE1 3.78Å; L110-A450 HydrophobicContact CD1-CB 3.87Å; L110-A450 HydrophobicContact CD2-CB 4.2Å; L110-A450 HydrophobicContact CG-CB 4.03Å
111	N	89.9	Confident	87.6	Confident	131 Å²	131	56.7 Å²	56.7	70%	0.701	29%	0.291	S	S	*	.			trans	52.9	39.7	179.9	-71.2	-33.2	0	0	0	115.2	Q107	Q107-N111 WeakPolarHBondContact O-CA 3.41Å; Q107-N111 PolarHBondContact O-N 3.02Å
112	F	86.1	Confident	86.8	Confident	14 Å²	14	57 Å²	57	6%	0.061	29%	0.293	C	S	.	.			trans	-94.4	169.8	174.4	66	-96.5	0	0	0	112.8	F69 I103 L106 Q107 L110 Y114 F447	F69-F112 HydrophobicContact CD2-CE2 4.3Å; F69-F112 HydrophobicContact CE1-CD2 4.38Å; F69-F112 AromaticContact CE1-CE2 3.68Å; F69-F112 HydrophobicContact CE1-CE2 3.68Å; F69-F112 AromaticContact CE1-CZ 3.92Å; F69-F112 HydrophobicContact CE1-CZ 3.92Å; F69-F112 AromaticContact CE2-CD2 3.41Å; F69-F112 HydrophobicContact CE2-CD2 3.41Å; F69-F112 VanDerWaalsContact CE2-CD2 3.41Å; F69-F112 AromaticContact CE2-CE2 3.4Å; F69-F112 HydrophobicContact CE2-CE2 3.4Å; F69-F112 VanDerWaalsContact CE2-CE2 3.4Å; F69-F112 HydrophobicContact CE2-CG 4.41Å; F69-F112 HydrophobicContact CE2-CZ 4.39Å; F69-F112 AromaticContact CZ-CD2 3.32Å; F69-F112 HydrophobicContact CZ-CD2 3.32Å; F69-F112 HydrophobicContact CZ-CE1 4.3Å; F69-F112 AromaticContact CZ-CE2 3.02Å; F69-F112 HydrophobicContact CZ-CE2 3.02Å; F69-F112 HydrophobicContact CZ-CG 4.1Å; F69-F112 AromaticContact CZ-CZ 3.59Å; F69-F112 HydrophobicContact CZ-CZ 3.59Å; I103-F112 HydrophobicContact CD1-CE2 4.47Å; I103-F112 HydrophobicContact CG1-CE2 4.13Å; I103-F112 HydrophobicContact CG1-CZ 4.04Å; L106-F112 VanDerWaalsContact C-CE1 3.44Å; L106-F112 HydrophobicContact CB-CE1 4Å; L106-F112 HydrophobicContact CB-CZ 4.06Å; L106-F112 WeakPolarHBondContact O-CE1 3.46Å; Q107-F112 HydrophobicContact CB-CE1 4.31Å; Q107-F112 HydrophobicContact CB-CE2 4.18Å; Q107-F112 HydrophobicContact CB-CZ 4Å; Q107-F112 VanDerWaalsContact CG-O 3.3Å; Q107-F112 WeakPolarHBondContact CG-O 2.96Å; Q107-F112 PolarHBondContact NE2-O 2.97Å; L110-F112 VanDerWaalsContact C-N 3.33Å; L110-F112 HydrophobicContact CB-CD1 3.64Å; L110-F112 HydrophobicContact CB-CE1 4.01Å; L110-F112 HydrophobicContact CD1-CD1 4.33Å; L110-F112 HydrophobicContact CD1-CE1 4.14Å; L110-F112 PolarHBondContact O-N 3.09Å; F112-Y114 HydrophobicContact CD2-CD1 4.34Å; F112-Y114 AromaticContact CE2-CD1 3.74Å; F112-Y114 HydrophobicContact CE2-CD1 3.74Å; F112-Y114 HydrophobicContact CE2-CG 4.34Å; F112-F447 AromaticContact CE1-CE1 3.78Å; F112-F447 HydrophobicContact CE1-CE1 3.78Å; F112-F447 HydrophobicContact CE1-CZ 4.26Å; F112-F447 HydrophobicContact CZ-CE1 4.07Å; F112-F447 HydrophobicContact CZ-CZ 4.43Å
113	T	87.5	Confident	86.2	Confident	87 Å²	87	60.8 Å²	60.8	53%	0.534	31%	0.31	S	S	.	.			trans	-115	145.6	169.6	54.1	0	0	0	0	109.7	T67	T67-T113 PolarHBondContact N-O 3.05Å
114	Y	84.6	Confident	85.7	Confident	60 Å²	60	63.2 Å²	63.2	24%	0.235	32%	0.321	C	S	.	.			trans	-133.6	150.8	-179.3	67.7	-100.1	0	0	0	112.8	F69 I103 N104 Q107 F112 L116	F69-Y114 HydrophobicContact CD2-CG 4.23Å; F69-Y114 VanDerWaalsContact CE2-CB 3.44Å; I103-Y114 HydrophobicContact CD1-CD1 3.86Å; I103-Y114 HydrophobicContact CD1-CD2 3.9Å; I103-Y114 HydrophobicContact CD1-CE1 4.14Å; I103-Y114 HydrophobicContact CD1-CE2 4.25Å; I103-Y114 HydrophobicContact CD1-CG 3.72Å; I103-Y114 HydrophobicContact CG1-CD1 3.94Å; I103-Y114 HydrophobicContact CG1-CE1 3.95Å; I103-Y114 HydrophobicContact CG1-CG 4.33Å; I103-Y114 HydrophobicContact CG2-CE1 4.08Å; I103-Y114 HydrophobicContact CG2-CE2 4.34Å; N104-Y114 PolarHBondContact OD1-OH 3.13Å; Q107-Y114 HydrophobicContact CB-CD1 4.5Å; Q107-Y114 HydrophobicContact CB-CE1 4.34Å; F112-Y114 HydrophobicContact CD2-CD1 4.34Å; F112-Y114 AromaticContact CE2-CD1 3.74Å; F112-Y114 HydrophobicContact CE2-CD1 3.74Å; F112-Y114 HydrophobicContact CE2-CG 4.34Å; Y114-L116 HydrophobicContact CD2-CD2 3.77Å; Y114-L116 HydrophobicContact CD2-CG 4.25Å; Y114-L116 HydrophobicContact CE2-CD2 3.57Å; Y114-L116 HydrophobicContact CE2-CG 4.01Å
115	E	84.7	Confident	85.2	Confident	106 Å²	106	61.2 Å²	61.2	50%	0.495	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	135.1	167.9	-179	-179	-158.6	0	0	107.8	R68 F69	R68-E115 HydrophobicContact CG-CB 4.39Å; R68-E115 IonicContact CZ-OE2 2.69Å; R68-E115 IonicContact NE-OE2 2.66Å; R68-E115 PolarHBondContact NE-OE2 2.73Å; R68-E115 IonicContact NH2-OE2 3.95Å; F69-E115 CarbonylContact C-O 3.47Å; F69-E115 PolarHBondContact N-O 2.92Å
116	L	83.6	Confident	84.6	Confident	65 Å²	65	62.2 Å²	62.2	34%	0.34	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	129.6	178.3	-56.3	178.4	0	0	0	110	F69 L71 L95 I100 Y114	F69-L116 WeakPolarHBondContact O-CA 3.42Å; L71-L116 HydrophobicContact CB-CB 4.37Å; L71-L116 HydrophobicContact CB-CD2 3.45Å; L71-L116 VanDerWaalsContact CB-CD2 3.45Å; L71-L116 HydrophobicContact CB-CG 4.46Å; L71-L116 HydrophobicContact CD1-CD2 3.06Å; L71-L116 HydrophobicContact CG-CD2 3.78Å; L95-L116 HydrophobicContact CD1-CD1 3.81Å; I100-L116 HydrophobicContact CD1-CD1 4.4Å; I100-L116 HydrophobicContact CD1-CD2 4.42Å; Y114-L116 HydrophobicContact CD2-CD2 3.77Å; Y114-L116 HydrophobicContact CD2-CG 4.25Å; Y114-L116 HydrophobicContact CE2-CD2 3.57Å; Y114-L116 HydrophobicContact CE2-CG 4.01Å
117	Y	78.8	Confident	84.3	Confident	83 Å²	83	65.6 Å²	65.6	33%	0.325	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	133.8	178.4	172.9	-100.8	0	0	0	113	F69 L70 L71 V144 A145	F69-Y117 PolarHBondContact O-N 3.2Å; L70-Y117 HydrophobicContact CD2-CD1 3.47Å; L70-Y117 VanDerWaalsContact CD2-CD1 3.47Å; L70-Y117 HydrophobicContact CD2-CE1 4.01Å; L70-Y117 HydrophobicContact CG-CD1 3.9Å; L71-Y117 CarbonylContact C-O 3.54Å; L71-Y117 PolarHBondContact N-O 3.17Å; L71-Y117 CarbonylContact O-C 3.58Å; Y117-V144 HydrophobicContact CE1-CG1 4.11Å; Y117-A145 HydrophobicContact CD1-CB 4.49Å
118	E	80.6	Confident	84	Confident	88 Å²	88	66.2 Å²	66.2	41%	0.411	35%	0.345	S	S	.	.			trans	-82.8	133.2	176.5	179.8	178.3	173.4	0	0	112.2	Y73 G74 A120	Y73-E118 WeakPolarHBondContact O-CB 3.45Å; Y73-E118 WeakPolarHBondContact O-CG 3.21Å; G74-E118 WeakPolarHBondContact CA-OE1 3.36Å; E118-A120 PolarHBondContact O-N 3.46Å
119	V	83.2	Confident	83.7	Confident	1 Å²	1	69.8 Å²	69.8	1%	0.006	36%	0.363	C	S	.	.			trans	-78.4	123.8	171	-176.3	0	0	0	0	110.8	L70 D121 T122 I136	L70-V119 HydrophobicContact CD2-CG2 3.3Å; V119-D121 VanDerWaalsContact C-N 3.3Å; V119-D121 WeakPolarHBondContact CG1-OD1 3.42Å; V119-D121 PolarHBondContact O-N 3.39Å; V119-T122 PolarHBondContact O-N 3.14Å; V119-I136 HydrophobicContact CB-CG1 4.47Å; V119-I136 HydrophobicContact CG2-CB 4.4Å; V119-I136 HydrophobicContact CG2-CG1 3.49Å; V119-I136 VanDerWaalsContact CG2-CG1 3.49Å
120	A	80	Confident	83.7	Confident	90 Å²	90	77.4 Å²	77.4	74%	0.744	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-33.6	-174.6	0	0	0	0	0	114.8	E118	E118-A120 PolarHBondContact O-N 3.46Å
121	D	77	Confident	83.6	Confident	50 Å²	50	76.6 Å²	76.6	27%	0.267	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	0.1	-176.4	73.7	-1.2	0	0	0	113.7	V119 F123 N134 G135	V119-D121 VanDerWaalsContact C-N 3.3Å; V119-D121 WeakPolarHBondContact CG1-OD1 3.42Å; V119-D121 PolarHBondContact O-N 3.39Å; D121-F123 HydrophobicContact CB-CD2 4.03Å; D121-F123 WeakPolarHBondContact O-CD2 3.41Å; D121-F123 VanDerWaalsContact O-CE2 3.28Å; D121-F123 WeakPolarHBondContact O-CE2 3.22Å; D121-F123 PolarHBondContact O-N 3.49Å; D121-F123 PolarHBondContact OD1-N 3.27Å; D121-F123 VanDerWaalsContact OD1-N 3.11Å; D121-N134 VanDerWaalsContact OD2-CB 3.32Å; D121-N134 WeakPolarHBondContact OD2-CB 3.38Å; D121-G135 WeakPolarHBondContact OD1-CA 3.13Å; D121-G135 PolarHBondContact OD1-N 2.94Å; D121-G135 PolarHBondContact OD2-N 2.94Å
122	T	77.2	Confident	83.6	Confident	36 Å²	36	78.7 Å²	78.7	22%	0.221	39%	0.393	C	S	.	.			trans	59.3	6.6	179.9	64.5	0	0	0	0	116.4	F77 V119	F77-T122 HydrophobicContact CB-CG2 3.74Å; F77-T122 WeakPolarHBondContact CD2-O 3.38Å; F77-T122 WeakPolarHBondContact CE2-O 3.3Å; F77-T122 WeakPolarHBondContact CG-O 3.47Å; V119-T122 PolarHBondContact O-N 3.14Å
123	F	80.6	Confident	83.8	Confident	81 Å²	81	79.4 Å²	79.4	36%	0.355	40%	0.395	S	S	.	.			trans	-93	151.2	-178.7	-65.4	-69.3	0	0	0	111.8	D121 G125 G135 I136	D121-F123 HydrophobicContact CB-CD2 4.03Å; D121-F123 WeakPolarHBondContact O-CD2 3.41Å; D121-F123 VanDerWaalsContact O-CE2 3.28Å; D121-F123 WeakPolarHBondContact O-CE2 3.22Å; D121-F123 PolarHBondContact O-N 3.49Å; D121-F123 PolarHBondContact OD1-N 3.27Å; D121-F123 VanDerWaalsContact OD1-N 3.11Å; F123-G125 PolarHBondContact O-N 3.03Å; F123-G135 CarbonylContact O-C 3.59Å; F123-G135 WeakPolarHBondContact O-CA 3.36Å; F123-I136 PolarHBondContact O-N 2.82Å
124	F	81.9	Confident	83.9	Confident	51 Å²	51	77.7 Å²	77.7	22%	0.224	38%	0.382	C	S	.	.			trans	-65.2	-30.2	169.1	-70.6	-73.9	0	0	0	112.4	F77 I136 I137 I152	F77-F124 HydrophobicContact CE1-CE1 4.3Å; F77-F124 HydrophobicContact CE1-CZ 4.15Å; F77-F124 HydrophobicContact CE2-CE2 4.48Å; F77-F124 HydrophobicContact CZ-CD2 4.16Å; F77-F124 HydrophobicContact CZ-CE1 4.13Å; F77-F124 AromaticContact CZ-CE2 3.66Å; F77-F124 HydrophobicContact CZ-CE2 3.66Å; F77-F124 AromaticContact CZ-CZ 3.64Å; F77-F124 HydrophobicContact CZ-CZ 3.64Å; F124-I136 HydrophobicContact CD1-CD1 4.05Å; F124-I136 PolarHBondContact O-N 2.77Å; F124-I137 WeakPolarHBondContact O-CG1 3.4Å; F124-I137 PolarHBondContact O-N 2.87Å; F124-I152 HydrophobicContact CD1-CB 4.21Å; F124-I152 HydrophobicContact CD1-CG1 4.33Å
125	G	82.6	Confident	84	Confident	6 Å²	6	74.9 Å²	74.9	6%	0.062	37%	0.371	C	S	.	.			trans	116.3	126.6	178.6	0	0	0	0	0	113.5	F123 N134 R158	F123-G125 PolarHBondContact O-N 3.03Å; G125-N134 WeakPolarHBondContact CA-O 3.38Å; G125-R158 PolarHBondContact O-NH2 2.78Å
126	S	83.1	Confident	84.2	Confident	57 Å²	57	69.8 Å²	69.8	40%	0.399	35%	0.348	S	S	.	.			trans	-134	145.4	180	61.6	0	0	0	0	108.7	N134	S126-N134 WeakPolarHBondContact CA-OD1 3.47Å; S126-N134 PolarHBondContact N-OD1 2.79Å; S126-N134 PolarHBondContact O-N 3Å; S126-N134 PolarHBondContact O-OD1 2.94Å; S126-N134 PolarHBondContact OG-OD1 3.33Å
127	M	85	Confident	84.5	Confident	72 Å²	72	66.7 Å²	66.7	36%	0.355	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	-87.9	127.2	178.3	-166.7	177.1	69.6	0	0	109	W133 Y161	M127-W133 HydrophobicContact CB-CD2 3.98Å; M127-W133 HydrophobicContact CB-CE3 4.2Å; M127-W133 HydrophobicContact CB-CH2 4.19Å; M127-W133 HydrophobicContact CB-CZ2 3.95Å; M127-W133 HydrophobicContact CB-CZ3 4.3Å; M127-W133 HydrophobicContact CG-CD2 4.41Å; M127-W133 HydrophobicContact CG-CZ2 4.44Å; M127-W133 HydrophobicContact SD-CZ2 4.25Å; M127-Y161 HydrophobicContact SD-CE2 4.29Å
128	N	86.2	Confident	85.1	Confident	75 Å²	75	62.9 Å²	62.9	40%	0.401	32%	0.317	S	S	.	.			trans	-76.7	170.4	171.8	68.4	17.7	0	0	0	111.4	R130 G131 R132	N128-R130 PolarHBondContact O-N 3.46Å; N128-R130 WeakPolarHBondContact OD1-CA 3.46Å; N128-R130 WeakPolarHBondContact OD1-CB 3.2Å; N128-R130 PolarHBondContact OD1-N 3.01Å; N128-R130 VanDerWaalsContact OD1-N 3.09Å; N128-G131 PolarHBondContact O-N 3.23Å; N128-G131 PolarHBondContact OD1-N 2.96Å; N128-G131 VanDerWaalsContact OD1-N 3.13Å; N128-R132 VanDerWaalsContact CG-O 3.32Å; N128-R132 PolarHBondContact N-O 3.33Å; N128-R132 PolarHBondContact OD1-N 3.16Å; N128-R132 PolarHBondContact OD1-O 3.41Å
129	E	86.2	Confident	85.6	Confident	206 Å²	206	60 Å²	60	96%	0.963	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-22	178.4	-64.3	177.8	179.3	0	0	113.6	G131	E129-G131 VanDerWaalsContact C-N 3.3Å
130	R	89.5	Confident	85.9	Confident	213 Å²	213	60 Å²	60	80%	0.804	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	2.1	177.5	-59.4	-177.3	-178.8	179.8	0.4	113.3	N128 R132	N128-R130 PolarHBondContact O-N 3.46Å; N128-R130 WeakPolarHBondContact OD1-CA 3.46Å; N128-R130 WeakPolarHBondContact OD1-CB 3.2Å; N128-R130 PolarHBondContact OD1-N 3.01Å; N128-R130 VanDerWaalsContact OD1-N 3.09Å; R130-R132 VanDerWaalsContact C-N 3.34Å
131	G	87.1	Confident	86.5	Confident	37 Å²	37	58.7 Å²	58.7	38%	0.381	29%	0.285	S	S	.	.	S	Bend	trans	77.6	12.2	-179	0	0	0	0	0	115.1	N128 E129	N128-G131 PolarHBondContact O-N 3.23Å; N128-G131 PolarHBondContact OD1-N 2.96Å; N128-G131 VanDerWaalsContact OD1-N 3.13Å; E129-G131 VanDerWaalsContact C-N 3.3Å
132	R	90.2	Very high	87.1	Confident	175 Å²	175	62 Å²	62	66%	0.66	30%	0.302	S	S	*	.			trans	-92.2	138.4	174.2	-59.2	-175.6	179.8	176.1	-2.8	110.4	N128 R130	N128-R132 VanDerWaalsContact CG-O 3.32Å; N128-R132 PolarHBondContact N-O 3.33Å; N128-R132 PolarHBondContact OD1-N 3.16Å; N128-R132 PolarHBondContact OD1-O 3.41Å; R130-R132 VanDerWaalsContact C-N 3.34Å
133	W	90.3	Very high	87.6	Confident	29 Å²	29	62 Å²	62	11%	0.11	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-92.7	139.3	176	-70.6	89.6	0	0	0	110.9	M127 I137 I141 L157 R158 Y161	M127-W133 HydrophobicContact CB-CD2 3.98Å; M127-W133 HydrophobicContact CB-CE3 4.2Å; M127-W133 HydrophobicContact CB-CH2 4.19Å; M127-W133 HydrophobicContact CB-CZ2 3.95Å; M127-W133 HydrophobicContact CB-CZ3 4.3Å; M127-W133 HydrophobicContact CG-CD2 4.41Å; M127-W133 HydrophobicContact CG-CZ2 4.44Å; M127-W133 HydrophobicContact SD-CZ2 4.25Å; W133-I137 HydrophobicContact CB-CG2 4.15Å; W133-I137 HydrophobicContact CD2-CG2 3.57Å; W133-I137 HydrophobicContact CE3-CB 3.97Å; W133-I137 HydrophobicContact CE3-CG2 3.43Å; W133-I137 VanDerWaalsContact CE3-CG2 3.43Å; W133-I137 HydrophobicContact CG-CG2 3.91Å; W133-I137 HydrophobicContact CZ3-CG2 4Å; W133-I141 HydrophobicContact CB-CD1 3.93Å; W133-I141 HydrophobicContact CD2-CD1 4.3Å; W133-I141 HydrophobicContact CG-CD1 3.61Å; W133-L157 HydrophobicContact CH2-CD2 3.94Å; W133-L157 HydrophobicContact CH2-CG 3.92Å; W133-L157 HydrophobicContact CZ2-CD2 4.27Å; W133-L157 HydrophobicContact CZ2-CG 3.98Å; W133-R158 HydrophobicContact CH2-CG 3.83Å; W133-R158 HydrophobicContact CZ3-CG 4Å; W133-Y161 AromaticContact CE2-CD2 3.78Å; W133-Y161 AromaticContact CZ2-CD2 3.63Å; W133-Y161 HydrophobicContact CZ2-CD2 3.63Å; W133-Y161 AromaticContact CZ2-CE2 3.9Å; W133-Y161 HydrophobicContact CZ2-CE2 3.9Å; W133-Y161 HydrophobicContact CZ2-CG 4.44Å; W133-Y161 AromaticContact NE1-CD1 3.81Å; W133-Y161 AromaticContact NE1-CD2 3.43Å; W133-Y161 AromaticContact NE1-CE2 3.66Å; W133-Y161 AromaticContact NE1-CG 3.52Å; W133-Y161 AromaticContact NE1-CZ 3.95Å
134	N	88.5	Confident	88	Confident	50 Å²	50	61.2 Å²	61.2	27%	0.267	31%	0.312	S	S	.	.			trans	-102.8	-176	165.7	76	-26.3	0	0	0	110.4	D121 G125 S126 G138	D121-N134 VanDerWaalsContact OD2-CB 3.32Å; D121-N134 WeakPolarHBondContact OD2-CB 3.38Å; G125-N134 WeakPolarHBondContact CA-O 3.38Å; S126-N134 WeakPolarHBondContact CA-OD1 3.47Å; S126-N134 PolarHBondContact N-OD1 2.79Å; S126-N134 PolarHBondContact O-N 3Å; S126-N134 PolarHBondContact O-OD1 2.94Å; S126-N134 PolarHBondContact OG-OD1 3.33Å; N134-G138 PolarHBondContact O-N 3.47Å
135	G	87.6	Confident	88.2	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.01	30%	0.301	C	S	.	.	H	α-helix	trans	67.4	-164.8	174.5	0	0	0	0	0	116	D121 F123 I137 G138 D139	D121-G135 WeakPolarHBondContact OD1-CA 3.13Å; D121-G135 PolarHBondContact OD1-N 2.94Å; D121-G135 PolarHBondContact OD2-N 2.94Å; F123-G135 CarbonylContact O-C 3.59Å; F123-G135 WeakPolarHBondContact O-CA 3.36Å; G135-I137 PolarHBondContact O-N 3.38Å; G135-G138 WeakPolarHBondContact O-CA 3.31Å; G135-G138 PolarHBondContact O-N 3.05Å; G135-D139 PolarHBondContact O-N 3.14Å
136	I	88.1	Confident	88.4	Confident	0 Å²	0	61 Å²	61	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-48.4	-45.4	174.8	-65.8	169.3	0	0	0	111.3	L70 V119 F123 F124 G138 D139 I140 S148 I152	L70-I136 HydrophobicContact CD1-CG2 4.42Å; V119-I136 HydrophobicContact CB-CG1 4.47Å; V119-I136 HydrophobicContact CG2-CB 4.4Å; V119-I136 HydrophobicContact CG2-CG1 3.49Å; V119-I136 VanDerWaalsContact CG2-CG1 3.49Å; F123-I136 PolarHBondContact O-N 2.82Å; F124-I136 HydrophobicContact CD1-CD1 4.05Å; F124-I136 PolarHBondContact O-N 2.77Å; I136-G138 PolarHBondContact O-N 3.38Å; I136-D139 PolarHBondContact O-N 3.02Å; I136-I140 HydrophobicContact CG2-CD1 3.91Å; I136-I140 VanDerWaalsContact O-CG1 3.3Å; I136-I140 WeakPolarHBondContact O-CG1 3.45Å; I136-I140 PolarHBondContact O-N 3.49Å; I136-S148 VanDerWaalsContact CG2-CB 3.42Å; I136-S148 VanDerWaalsContact CG2-OG 3.26Å; I136-S148 WeakPolarHBondContact CG2-OG 3.41Å; I136-I152 HydrophobicContact CG2-CD1 4.25Å
137	I	90.2	Very high	88.7	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-62.8	-41.9	178.8	-64.1	-65.4	0	0	0	111.8	F124 W133 G135 I141 I152 R158 V162 T436	F124-I137 WeakPolarHBondContact O-CG1 3.4Å; F124-I137 PolarHBondContact O-N 2.87Å; W133-I137 HydrophobicContact CB-CG2 4.15Å; W133-I137 HydrophobicContact CD2-CG2 3.57Å; W133-I137 HydrophobicContact CE3-CB 3.97Å; W133-I137 HydrophobicContact CE3-CG2 3.43Å; W133-I137 VanDerWaalsContact CE3-CG2 3.43Å; W133-I137 HydrophobicContact CG-CG2 3.91Å; W133-I137 HydrophobicContact CZ3-CG2 4Å; G135-I137 PolarHBondContact O-N 3.38Å; I137-I141 HydrophobicContact CG2-CD1 3.58Å; I137-I141 HydrophobicContact CG2-CG1 4.35Å; I137-I141 WeakPolarHBondContact O-CB 3.31Å; I137-I141 WeakPolarHBondContact O-CD1 3Å; I137-I141 WeakPolarHBondContact O-CG1 2.96Å; I137-I141 PolarHBondContact O-N 3.03Å; I137-I152 HydrophobicContact CD1-CD1 3.49Å; I137-I152 VanDerWaalsContact CD1-CD1 3.49Å; I137-I152 HydrophobicContact CG1-CD1 3.72Å; I137-R158 HydrophobicContact CD1-CB 4.39Å; I137-R158 HydrophobicContact CD1-CG 4.14Å; I137-R158 HydrophobicContact CG1-CG 4.22Å; I137-V162 HydrophobicContact CD1-CG1 4.4Å; I137-V162 HydrophobicContact CD1-CG2 3.75Å; I137-V162 HydrophobicContact CG2-CG1 4.31Å; I137-T436 HydrophobicContact CD1-CG2 4.03Å
138	G	91.1	Very high	89	Confident	2 Å²	2	54.8 Å²	54.8	2%	0.021	28%	0.275	C	S	.	.	H	α-helix	trans	-61.6	-44	176.2	0	0	0	0	0	112.4	N134 G135 I136 I141 N142	N134-G138 PolarHBondContact O-N 3.47Å; G135-G138 WeakPolarHBondContact O-CA 3.31Å; G135-G138 PolarHBondContact O-N 3.05Å; I136-G138 PolarHBondContact O-N 3.38Å; G138-I141 PolarHBondContact O-N 2.81Å; G138-N142 WeakPolarHBondContact O-CB 2.93Å; G138-N142 PolarHBondContact O-N 3.46Å; G138-N142 PolarHBondContact O-ND2 3.47Å
139	D	90.9	Very high	89.2	Confident	28 Å²	28	51.3 Å²	51.3	15%	0.15	26%	0.257	C	S	.	.	H	α-helix	trans	-67.2	-37.5	-179.2	-75.7	-1	0	0	0	112.6	L70 G135 I136 G143 V144 A145	L70-D139 HydrophobicContact CD1-CB 3.92Å; G135-D139 PolarHBondContact O-N 3.14Å; I136-D139 PolarHBondContact O-N 3.02Å; D139-G143 PolarHBondContact O-N 3.28Å; D139-V144 HydrophobicContact CB-CB 4.17Å; D139-V144 PolarHBondContact O-N 3.46Å; D139-A145 PolarHBondContact O-N 2.86Å
140	I	91.1	Very high	89.2	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-65.2	-48.5	172.9	-65.2	170.8	0	0	0	110.3	L70 I136 N142 G143 V162 T436 Q438	L70-I140 HydrophobicContact CD1-CG1 3.79Å; I136-I140 HydrophobicContact CG2-CD1 3.91Å; I136-I140 VanDerWaalsContact O-CG1 3.3Å; I136-I140 WeakPolarHBondContact O-CG1 3.45Å; I136-I140 PolarHBondContact O-N 3.49Å; I140-N142 VanDerWaalsContact C-N 3.27Å; I140-N142 PolarHBondContact O-N 3.44Å; I140-G143 PolarHBondContact O-N 3.1Å; I140-V162 HydrophobicContact CB-CG1 4.35Å; I140-V162 HydrophobicContact CG2-CG1 3.87Å; I140-T436 HydrophobicContact CD1-CG2 3.44Å; I140-T436 VanDerWaalsContact CD1-CG2 3.44Å; I140-Q438 HydrophobicContact CG2-CB 4.45Å; I140-Q438 HydrophobicContact CG2-CG 3.76Å; I140-Q438 WeakPolarHBondContact O-CG 3.4Å
141	I	92.1	Very high	89	Confident	64 Å²	64	31.6 Å²	31.6	33%	0.328	18%	0.175	S	C	.	.	H	α-helix	trans	-60.1	-39	-179.6	-69.7	166	0	0	0	111.4	W133 I137 G138 G143 Y161 V162	W133-I141 HydrophobicContact CB-CD1 3.93Å; W133-I141 HydrophobicContact CD2-CD1 4.3Å; W133-I141 HydrophobicContact CG-CD1 3.61Å; I137-I141 HydrophobicContact CG2-CD1 3.58Å; I137-I141 HydrophobicContact CG2-CG1 4.35Å; I137-I141 WeakPolarHBondContact O-CB 3.31Å; I137-I141 WeakPolarHBondContact O-CD1 3Å; I137-I141 WeakPolarHBondContact O-CG1 2.96Å; I137-I141 PolarHBondContact O-N 3.03Å; G138-I141 PolarHBondContact O-N 2.81Å; I141-G143 PolarHBondContact O-N 3.04Å; I141-Y161 HydrophobicContact CD1-CG 4.38Å; I141-V162 HydrophobicContact CD1-CG1 4.33Å; I141-V162 HydrophobicContact CG1-CG1 3.72Å
142	N	90.3	Very high	89	Confident	118 Å²	118	29.8 Å²	29.8	63%	0.631	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-2.6	-179.5	-66.6	-37.3	0	0	0	113.4	G138 I140 V144	G138-N142 WeakPolarHBondContact O-CB 2.93Å; G138-N142 PolarHBondContact O-N 3.46Å; G138-N142 PolarHBondContact O-ND2 3.47Å; I140-N142 VanDerWaalsContact C-N 3.27Å; I140-N142 PolarHBondContact O-N 3.44Å; N142-V144 HydrophobicContact CB-CG2 4.07Å; N142-V144 PolarHBondContact O-N 3.01Å
143	G	87	Confident	88.9	Confident	38 Å²	38	22.1 Å²	22.1	39%	0.392	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	19.1	-177.1	0	0	0	0	0	114.2	D139 I140 I141 A145	D139-G143 PolarHBondContact O-N 3.28Å; I140-G143 PolarHBondContact O-N 3.1Å; I141-G143 PolarHBondContact O-N 3.04Å; G143-A145 PolarHBondContact O-N 2.8Å
144	V	88.2	Confident	88.9	Confident	64 Å²	64	21.7 Å²	21.7	39%	0.388	13%	0.131	S	C	.	.	S	Bend	trans	-67.1	-31.1	173.1	177.3	0	0	0	0	109.8	Y117 D139 N142	Y117-V144 HydrophobicContact CE1-CG1 4.11Å; D139-V144 HydrophobicContact CB-CB 4.17Å; D139-V144 PolarHBondContact O-N 3.46Å; N142-V144 HydrophobicContact CB-CG2 4.07Å; N142-V144 PolarHBondContact O-N 3.01Å
145	A	86.9	Confident	88.8	Confident	1 Å²	1	19.9 Å²	19.9	1%	0.008	12%	0.123	C	C	.	.			trans	-146.1	159.3	172.1	0	0	0	0	0	112.2	L70 Y117 D139 G143 Q438	L70-A145 HydrophobicContact CB-CB 3.98Å; L70-A145 HydrophobicContact CD1-CB 3.22Å; L70-A145 HydrophobicContact CD2-CB 4.45Å; L70-A145 HydrophobicContact CG-CB 3.23Å; Y117-A145 HydrophobicContact CD1-CB 4.49Å; D139-A145 PolarHBondContact O-N 2.86Å; G143-A145 PolarHBondContact O-N 2.8Å; A145-Q438 PolarHBondContact O-NE2 2.79Å
146	D	86.6	Confident	88.8	Confident	50 Å²	50	23.5 Å²	23.5	27%	0.267	15%	0.153	S	C	.	.	S	Bend	trans	-96.8	-37.5	-163.6	-54.2	-48.1	0	0	0	112.5	T67 R68	T67-D146 HydrophobicContact CG2-CB 3.27Å; T67-D146 WeakPolarHBondContact CG2-OD2 3.26Å; R68-D146 PolarHBondContact N-OD2 3.39Å; R68-D146 WeakPolarHBondContact O-CB 3.47Å; R68-D146 PolarHBondContact O-N 3.23Å
147	V	89.7	Confident	88.8	Confident	0 Å²	0	26 Å²	26	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	132.9	-172.1	-177.1	0	0	0	0	109.9	T67 F69 L70 V149 I435 T436 V437 L443 F447	T67-V147 HydrophobicContact CG2-CG2 4.23Å; F69-V147 HydrophobicContact CD1-CB 3.75Å; F69-V147 HydrophobicContact CD1-CG1 3.85Å; F69-V147 HydrophobicContact CD1-CG2 4.32Å; F69-V147 HydrophobicContact CE1-CB 4.01Å; F69-V147 HydrophobicContact CE1-CG1 3.97Å; F69-V147 HydrophobicContact CE1-CG2 4.13Å; F69-V147 HydrophobicContact CG-CB 4.43Å; L70-V147 WeakPolarHBondContact CA-O 3.5Å; L70-V147 VanDerWaalsContact CB-O 3.24Å; L70-V147 WeakPolarHBondContact CB-O 3.21Å; L70-V147 PolarHBondContact N-O 3.47Å; V147-V149 HydrophobicContact CG1-CG2 4.23Å; V147-I435 HydrophobicContact CG1-CG2 3.3Å; V147-T436 CarbonylContact C-O 3.51Å; V147-T436 WeakPolarHBondContact CA-O 3.12Å; V147-V437 HydrophobicContact CG1-CG1 4.18Å; V147-V437 HydrophobicContact CG2-CG1 4.15Å; V147-L443 HydrophobicContact CG2-CD1 3.61Å; V147-F447 HydrophobicContact CG1-CE2 4.14Å; V147-F447 HydrophobicContact CG2-CE2 3.83Å
148	S	90.6	Very high	88.8	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	126.1	168	-178.2	0	0	0	0	113.1	L70 I136 S150 I435 T436	L70-S148 WeakPolarHBondContact O-CA 2.77Å; I136-S148 VanDerWaalsContact CG2-CB 3.42Å; I136-S148 VanDerWaalsContact CG2-OG 3.26Å; I136-S148 WeakPolarHBondContact CG2-OG 3.41Å; S148-S150 PolarHBondContact OG-OG 2.89Å; S148-I435 WeakPolarHBondContact O-CA 3.4Å; S148-I435 WeakPolarHBondContact O-CG2 3.43Å; S148-T436 PolarHBondContact N-O 3.22Å; S148-T436 PolarHBondContact O-N 2.96Å
149	V	89.9	Confident	88.8	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.006	20%	0.197	C	C	.	.			trans	-110	77.7	173.3	-170.6	0	0	0	0	108.9	F69 L70 L71 S99 L102 I103 V147 I435	F69-V149 HydrophobicContact CD1-CG2 4.38Å; L70-V149 PolarHBondContact O-N 3.47Å; L71-V149 HydrophobicContact CD2-CB 4.06Å; L71-V149 WeakPolarHBondContact CD2-O 3.38Å; L71-V149 HydrophobicContact CG-CB 4.35Å; S99-V149 WeakPolarHBondContact CB-O 3.28Å; S99-V149 PolarHBondContact OG-O 3.11Å; L102-V149 HydrophobicContact CD2-CG1 4.03Å; I103-V149 HydrophobicContact CD1-CG2 4.35Å; V147-V149 HydrophobicContact CG1-CG2 4.23Å; V149-I435 HydrophobicContact CG1-CD1 4.44Å; V149-I435 HydrophobicContact CG1-CG1 4.46Å; V149-I435 HydrophobicContact CG2-CD1 4.09Å; V149-I435 HydrophobicContact CG2-CG1 4.32Å; V149-I435 HydrophobicContact CG2-CG2 4.21Å
150	S	86.9	Confident	88.9	Confident	2 Å²	2	39.2 Å²	39.2	1%	0.014	22%	0.218	C	C	.	.	S	Bend	trans	-132.7	173.9	-178.3	58.4	0	0	0	0	111.2	S148 I152	S148-S150 PolarHBondContact OG-OG 2.89Å; S150-I152 PolarHBondContact O-N 3.43Å
151	G	86.3	Confident	89	Confident	3 Å²	3	43.6 Å²	43.6	3%	0.031	24%	0.235	C	C	.	.	S	Bend	trans	-71.3	41.1	171.1	0	0	0	0	0	112.8	Y433	G151-Y433 WeakPolarHBondContact O-CD1 3.24Å; G151-Y433 WeakPolarHBondContact O-CE1 3.29Å
152	I	87.1	Confident	89	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-83.2	124.1	-177.9	-168	166.5	0	0	0	110.6	F124 I136 I137 S150 A154 F164 Y433 T436	F124-I152 HydrophobicContact CD1-CB 4.21Å; F124-I152 HydrophobicContact CD1-CG1 4.33Å; I136-I152 HydrophobicContact CG2-CD1 4.25Å; I137-I152 HydrophobicContact CD1-CD1 3.49Å; I137-I152 VanDerWaalsContact CD1-CD1 3.49Å; I137-I152 HydrophobicContact CG1-CD1 3.72Å; S150-I152 PolarHBondContact O-N 3.43Å; I152-A154 PolarHBondContact O-N 2.93Å; I152-F164 HydrophobicContact CG2-CE1 4.45Å; I152-Y433 WeakPolarHBondContact O-CA 3.49Å; I152-T436 WeakPolarHBondContact CG2-OG1 3.29Å
153	T	88	Confident	89.2	Confident	13 Å²	13	36 Å²	36	8%	0.08	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-75.5	126.2	179.2	-43.4	0	0	0	0	111.7	S155 R158 R431	T153-S155 PolarHBondContact O-N 2.75Å; T153-R158 PolarHBondContact O-NH1 2.68Å; T153-R431 HydrophobicContact CG2-CB 3.11Å; T153-R431 VanDerWaalsContact CG2-CD 3.48Å; T153-R431 HydrophobicContact CG2-CG 3.93Å
154	A	89.5	Confident	89.6	Confident	20 Å²	20	35.1 Å²	35.1	17%	0.165	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-66.3	127.8	169.4	0	0	0	0	0	109.5	I152 F164 P432 A434	I152-A154 PolarHBondContact O-N 2.93Å; A154-F164 HydrophobicContact CB-CB 4.47Å; A154-F164 HydrophobicContact CB-CD1 4.04Å; A154-F164 HydrophobicContact CB-CD2 4.01Å; A154-F164 HydrophobicContact CB-CE1 4.24Å; A154-F164 HydrophobicContact CB-CE2 4.23Å; A154-F164 HydrophobicContact CB-CG 3.91Å; A154-F164 HydrophobicContact CB-CZ 4.35Å; A154-P432 HydrophobicContact CB-CG 4.22Å; A154-P432 PolarHBondContact N-O 2.98Å; A154-A434 HydrophobicContact CB-CB 4.46Å
155	S	87.1	Confident	89.9	Confident	13 Å²	13	32.5 Å²	32.5	9%	0.091	17%	0.165	C	C	.	.			trans	-140.2	147.7	179.3	77.3	0	0	0	0	110.5	T153 L157 R158 E159	T153-S155 PolarHBondContact O-N 2.75Å; S155-L157 PolarHBondContact O-N 3.07Å; S155-R158 PolarHBondContact O-N 3.22Å; S155-R158 WeakPolarHBondContact OG-CG 3.41Å; S155-R158 PolarHBondContact OG-N 2.98Å; S155-E159 PolarHBondContact O-N 2.7Å
156	A	88	Confident	90.2	Very high	77 Å²	77	36.5 Å²	36.5	64%	0.636	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-24.1	-178.8	0	0	0	0	0	114.2
157	L	87.4	Confident	90.5	Very high	51 Å²	51	36.2 Å²	36.2	27%	0.267	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-43.2	174.5	-176.3	65.1	0	0	0	111.5	W133 S155 R160 Y161 R330	W133-L157 HydrophobicContact CH2-CD2 3.94Å; W133-L157 HydrophobicContact CH2-CG 3.92Å; W133-L157 HydrophobicContact CZ2-CD2 4.27Å; W133-L157 HydrophobicContact CZ2-CG 3.98Å; S155-L157 PolarHBondContact O-N 3.07Å; L157-R160 PolarHBondContact O-N 3.37Å; L157-Y161 HydrophobicContact CD1-CE2 4.48Å; L157-Y161 WeakPolarHBondContact O-CD2 3.49Å; L157-R330 VanDerWaalsContact CD2-NH2 3.35Å
158	R	90.6	Very high	90.6	Very high	36 Å²	36	36.4 Å²	36.4	14%	0.136	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-67.7	-40	178.8	-71.5	174	176.1	164.7	-4.8	111	G125 W133 I137 T153 S155 R160 Y161 V162 F164	G125-R158 PolarHBondContact O-NH2 2.78Å; W133-R158 HydrophobicContact CH2-CG 3.83Å; W133-R158 HydrophobicContact CZ3-CG 4Å; I137-R158 HydrophobicContact CD1-CB 4.39Å; I137-R158 HydrophobicContact CD1-CG 4.14Å; I137-R158 HydrophobicContact CG1-CG 4.22Å; T153-R158 PolarHBondContact O-NH1 2.68Å; S155-R158 PolarHBondContact O-N 3.22Å; S155-R158 WeakPolarHBondContact OG-CG 3.41Å; S155-R158 PolarHBondContact OG-N 2.98Å; R158-R160 PolarHBondContact O-N 3.36Å; R158-Y161 PolarHBondContact O-N 2.91Å; R158-V162 HydrophobicContact CB-CG2 4.18Å; R158-V162 VanDerWaalsContact O-CG2 3.24Å; R158-V162 WeakPolarHBondContact O-CG2 3.46Å; R158-V162 PolarHBondContact O-N 3.19Å; R158-F164 HydrophobicContact CB-CE2 3.69Å; R158-F164 HydrophobicContact CB-CZ 3.68Å
159	E	91.4	Very high	90.6	Very high	116 Å²	116	37.1 Å²	37.1	54%	0.542	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-60.2	-17	179.5	-165.5	176.5	-178.3	0	0	113.6	S155 V162 F164	S155-E159 PolarHBondContact O-N 2.7Å; E159-V162 CarbonylContact C-O 3.53Å; E159-V162 VanDerWaalsContact CA-O 3.29Å; E159-V162 WeakPolarHBondContact CA-O 3.05Å; E159-F164 HydrophobicContact CB-CD2 4.3Å; E159-F164 HydrophobicContact CB-CE2 4.34Å
160	R	92.7	Very high	90.3	Very high	157 Å²	157	41.8 Å²	41.8	59%	0.592	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-73.7	-24.8	172.1	-72.3	-170.6	175	-151.8	-0.3	114	L157 R158 Q439	L157-R160 PolarHBondContact O-N 3.37Å; R158-R160 PolarHBondContact O-N 3.36Å; R160-Q439 PolarHBondContact O-NE2 2.89Å; R160-Q439 VanDerWaalsContact O-NE2 3.11Å
161	Y	92.6	Very high	90.3	Very high	92 Å²	92	46.6 Å²	46.6	36%	0.361	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.7	-21.8	-172	-62.5	-87.5	0	0	0	113.3	M127 W133 I141 L157 R158	M127-Y161 HydrophobicContact SD-CE2 4.29Å; W133-Y161 AromaticContact CE2-CD2 3.78Å; W133-Y161 AromaticContact CZ2-CD2 3.63Å; W133-Y161 HydrophobicContact CZ2-CD2 3.63Å; W133-Y161 AromaticContact CZ2-CE2 3.9Å; W133-Y161 HydrophobicContact CZ2-CE2 3.9Å; W133-Y161 HydrophobicContact CZ2-CG 4.44Å; W133-Y161 AromaticContact NE1-CD1 3.81Å; W133-Y161 AromaticContact NE1-CD2 3.43Å; W133-Y161 AromaticContact NE1-CE2 3.66Å; W133-Y161 AromaticContact NE1-CG 3.52Å; W133-Y161 AromaticContact NE1-CZ 3.95Å; I141-Y161 HydrophobicContact CD1-CG 4.38Å; L157-Y161 HydrophobicContact CD1-CE2 4.48Å; L157-Y161 WeakPolarHBondContact O-CD2 3.49Å; R158-Y161 PolarHBondContact O-N 2.91Å
162	V	92.9	Very high	90.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	155.9	177.4	-64.5	0	0	0	0	109.3	I137 I140 I141 R158 E159 F164 T436	I137-V162 HydrophobicContact CD1-CG1 4.4Å; I137-V162 HydrophobicContact CD1-CG2 3.75Å; I137-V162 HydrophobicContact CG2-CG1 4.31Å; I140-V162 HydrophobicContact CB-CG1 4.35Å; I140-V162 HydrophobicContact CG2-CG1 3.87Å; I141-V162 HydrophobicContact CD1-CG1 4.33Å; I141-V162 HydrophobicContact CG1-CG1 3.72Å; R158-V162 HydrophobicContact CB-CG2 4.18Å; R158-V162 VanDerWaalsContact O-CG2 3.24Å; R158-V162 WeakPolarHBondContact O-CG2 3.46Å; R158-V162 PolarHBondContact O-N 3.19Å; E159-V162 CarbonylContact C-O 3.53Å; E159-V162 VanDerWaalsContact CA-O 3.29Å; E159-V162 WeakPolarHBondContact CA-O 3.05Å; V162-F164 HydrophobicContact CG2-CE2 3.96Å; V162-F164 HydrophobicContact CG2-CZ 3.98Å; V162-T436 HydrophobicContact CB-CG2 3.69Å; V162-T436 HydrophobicContact CG1-CG2 4.21Å; V162-T436 HydrophobicContact CG2-CG2 3.53Å
163	D	94.6	Very high	90.6	Very high	22 Å²	22	46.7 Å²	46.7	12%	0.118	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	144.2	173.7	-89.2	-52.2	0	0	0	110.6	V437 Q439 G440 K444	D163-V437 HydrophobicContact CB-CG2 3.72Å; D163-V437 PolarHBondContact N-O 3.36Å; D163-V437 PolarHBondContact O-N 2.94Å; D163-Q439 WeakPolarHBondContact OD2-CA 3.24Å; D163-G440 PolarHBondContact OD2-N 3.47Å; D163-K444 HydrophobicContact CB-CD 3.92Å; D163-K444 HydrophobicContact CB-CG 4.41Å; D163-K444 IonicContact OD1-NZ 2.66Å; D163-K444 PolarHBondContact OD1-NZ 3.48Å
164	F	94.2	Very high	90.8	Very high	20 Å²	20	46.4 Å²	46.4	9%	0.088	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	143.4	173	-68.1	-79.3	0	0	0	110.2	I152 A154 R158 E159 V162 A434 I435 T436 K444	I152-F164 HydrophobicContact CG2-CE1 4.45Å; A154-F164 HydrophobicContact CB-CB 4.47Å; A154-F164 HydrophobicContact CB-CD1 4.04Å; A154-F164 HydrophobicContact CB-CD2 4.01Å; A154-F164 HydrophobicContact CB-CE1 4.24Å; A154-F164 HydrophobicContact CB-CE2 4.23Å; A154-F164 HydrophobicContact CB-CG 3.91Å; A154-F164 HydrophobicContact CB-CZ 4.35Å; R158-F164 HydrophobicContact CB-CE2 3.69Å; R158-F164 HydrophobicContact CB-CZ 3.68Å; E159-F164 HydrophobicContact CB-CD2 4.3Å; E159-F164 HydrophobicContact CB-CE2 4.34Å; V162-F164 HydrophobicContact CG2-CE2 3.96Å; V162-F164 HydrophobicContact CG2-CZ 3.98Å; F164-A434 HydrophobicContact CB-CB 3.89Å; F164-A434 HydrophobicContact CD1-CB 3.93Å; F164-A434 HydrophobicContact CG-CB 4.3Å; F164-I435 WeakPolarHBondContact CA-O 3.49Å; F164-T436 HydrophobicContact CD1-CG2 4.33Å; F164-T436 HydrophobicContact CE1-CG2 3.97Å; F164-T436 WeakPolarHBondContact CE1-OG1 3.46Å; F164-T436 HydrophobicContact CZ-CG2 4.38Å; F164-K444 WeakPolarHBondContact O-CE 3.46Å
165	T	94	Very high	91	Very high	9 Å²	9	45.6 Å²	45.6	6%	0.055	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	178.5	171.2	66.9	0	0	0	0	111.4	A434 I435 F447 S448 I451	T165-A434 WeakPolarHBondContact O-CB 2.96Å; T165-I435 HydrophobicContact CG2-CB 3.76Å; T165-I435 HydrophobicContact CG2-CG2 4.16Å; T165-I435 PolarHBondContact N-O 2.92Å; T165-I435 WeakPolarHBondContact OG1-CB 3.4Å; T165-I435 PolarHBondContact OG1-N 2.87Å; T165-I435 VanDerWaalsContact OG1-N 3.13Å; T165-F447 HydrophobicContact CG2-CB 3.67Å; T165-S448 VanDerWaalsContact CA-OG 3.31Å; T165-S448 WeakPolarHBondContact CA-OG 3.39Å; T165-S448 WeakPolarHBondContact CB-OG 3.37Å; T165-I451 WeakPolarHBondContact OG1-CD1 3.25Å
166	F	93.4	Very high	91.4	Very high	85 Å²	85	45.1 Å²	45.1	37%	0.373	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.5	137.6	161.2	-166	-95.5	0	0	0	110.5	H168 S448 I451 L452 L455	F166-H168 PolarHBondContact O-N 3.16Å; F166-S448 PolarHBondContact N-OG 2.95Å; F166-I451 HydrophobicContact CD1-CG2 3.99Å; F166-I451 WeakPolarHBondContact O-CD1 3.43Å; F166-L452 HydrophobicContact CB-CG 4.49Å; F166-L452 HydrophobicContact CD1-CD2 3.73Å; F166-L452 HydrophobicContact CD1-CG 4.25Å; F166-L452 HydrophobicContact CD2-CD2 3.89Å; F166-L452 HydrophobicContact CD2-CG 4.43Å; F166-L452 HydrophobicContact CE1-CD2 3.69Å; F166-L452 HydrophobicContact CE2-CD2 3.85Å; F166-L452 HydrophobicContact CG-CD2 3.83Å; F166-L452 HydrophobicContact CG-CG 4.12Å; F166-L452 HydrophobicContact CZ-CD2 3.75Å; F166-L455 HydrophobicContact CE1-CD2 3.99Å
167	P	93.8	Very high	91.6	Very high	44 Å²	44	41.5 Å²	41.5	29%	0.286	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	130.8	179.9	-28.5	36.9	0	0	0	112.4	P432 Y433	P167-P432 HydrophobicContact CB-CB 3.7Å; P167-P432 HydrophobicContact CG-CB 3.63Å; P167-P432 HydrophobicContact CG-CG 4.17Å; P167-Y433 VanDerWaalsContact CA-O 3.31Å; P167-Y433 WeakPolarHBondContact CA-O 3.35Å
168	H	91.6	Very high	91.8	Very high	4 Å²	4	40 Å²	40	2%	0.019	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	-13.5	178.4	65.2	-101.7	0	0	0	112.2	Y98 L102 F166 Y433 I435 I451	Y98-H168 AromaticContact CE1-CD2 3.64Å; Y98-H168 PolarHBondContact OH-O 3.14Å; L102-H168 HydrophobicContact CD2-CB 3.71Å; F166-H168 PolarHBondContact O-N 3.16Å; H168-Y433 PolarHBondContact N-O 3.19Å; H168-I435 PolarHBondContact ND1-N 3.33Å; H168-I451 HydrophobicContact CB-CD1 4.32Å; H168-I451 HydrophobicContact CB-CG2 4.28Å
169	Y	89.9	Confident	91.8	Very high	15 Å²	15	42.3 Å²	42.3	6%	0.059	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	146.8	174.2	-173	-93.8	0	0	0	108.1	Y98 Y433 K464 W468	Y98-Y169 HydrophobicContact CE1-CD2 4.34Å; Y169-Y433 AromaticContact CD1-CD2 3.44Å; Y169-Y433 HydrophobicContact CD1-CD2 3.44Å; Y169-Y433 VanDerWaalsContact CD1-CD2 3.44Å; Y169-Y433 AromaticContact CD1-CE2 3.68Å; Y169-Y433 HydrophobicContact CD1-CE2 3.68Å; Y169-Y433 HydrophobicContact CE1-CD2 4.25Å; Y169-Y433 HydrophobicContact CE1-CE2 4.03Å; Y169-Y433 AromaticContact CG-CD2 3.88Å; Y169-Y433 HydrophobicContact CG-CD2 3.88Å; Y169-Y433 HydrophobicContact CG-CE2 4.44Å; Y169-K464 HydrophobicContact CE2-CD 4.21Å; Y169-K464 HydrophobicContact CE2-CG 4.05Å; Y169-W468 HydrophobicContact CD2-CH2 4.07Å; Y169-W468 HydrophobicContact CD2-CZ3 4.15Å; Y169-W468 HydrophobicContact CE2-CD2 4.22Å; Y169-W468 AromaticContact CE2-CE3 3.93Å; Y169-W468 HydrophobicContact CE2-CE3 3.93Å; Y169-W468 AromaticContact CE2-CH2 3.62Å; Y169-W468 HydrophobicContact CE2-CH2 3.62Å; Y169-W468 AromaticContact CE2-CZ2 3.93Å; Y169-W468 HydrophobicContact CE2-CZ2 3.93Å; Y169-W468 AromaticContact CE2-CZ3 3.63Å; Y169-W468 HydrophobicContact CE2-CZ3 3.63Å
170	D	84	Confident	91.5	Very high	98 Å²	98	39.2 Å²	39.2	52%	0.524	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	171.5	179.4	-65.3	-39.6	0	0	0	112.1	S172 K464	D170-S172 PolarHBondContact O-N 3.46Å; D170-S172 VanDerWaalsContact O-N 3.1Å; D170-K464 IonicContact OD2-NZ 2.7Å; D170-K464 PolarHBondContact OD2-NZ 3.25Å
171	L	87.5	Confident	90.5	Very high	103 Å²	103	35.7 Å²	35.7	54%	0.539	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	120.6	174.7	-54.2	172.2	0	0	0	110	R430 R431 P432	L171-R430 HydrophobicContact CB-CB 3.91Å; L171-R431 WeakPolarHBondContact CA-O 3.46Å; L171-P432 HydrophobicContact CD2-CB 3.91Å; L171-P432 HydrophobicContact CD2-CG 4.03Å
172	S	87.4	Confident	89.3	Confident	4 Å²	4	39.5 Å²	39.5	3%	0.028	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	131.8	173.4	-171.7	0	0	0	0	108.7	D170 A409 R430 R431 Y433	D170-S172 PolarHBondContact O-N 3.46Å; D170-S172 VanDerWaalsContact O-N 3.1Å; S172-A409 PolarHBondContact OG-N 3.41Å; S172-R430 WeakPolarHBondContact O-CA 3.49Å; S172-R431 PolarHBondContact N-O 3.03Å; S172-R431 PolarHBondContact O-N 3.44Å; S172-R431 VanDerWaalsContact O-O 3.12Å; S172-Y433 VanDerWaalsContact CB-CZ 3.41Å; S172-Y433 WeakPolarHBondContact CB-OH 3.4Å; S172-Y433 PolarHBondContact OG-OH 3.46Å
173	G	91.2	Very high	87.8	Confident	1 Å²	1	44 Å²	44	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	-165.8	176	0	0	0	0	0	113.6	A408 E427 F428	G173-A408 VanDerWaalsContact O-CB 3.23Å; G173-A408 WeakPolarHBondContact O-CB 3.46Å; G173-A408 PolarHBondContact O-N 2.93Å; G173-E427 PolarHBondContact N-OE2 3.12Å; G173-F428 CarbonylContact C-O 3.55Å; G173-F428 WeakPolarHBondContact CA-O 3.33Å
174	E	93.3	Very high	86.2	Confident	8 Å²	8	50.1 Å²	50.1	4%	0.037	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	145.2	166.7	-52.1	-64.3	169	0	0	108.5	S323 A324 I405 A406 D407 E427 F428	E174-S323 WeakPolarHBondContact OE1-CB 3.47Å; E174-S323 PolarHBondContact OE1-OG 3.46Å; E174-A324 HydrophobicContact CG-CB 4.2Å; E174-A324 PolarHBondContact OE1-N 3.45Å; E174-I405 HydrophobicContact CB-CG2 4.2Å; E174-A406 WeakPolarHBondContact CA-O 3.25Å; E174-A406 WeakPolarHBondContact OE2-CA 3.47Å; E174-D407 WeakPolarHBondContact OE2-CA 3.35Å; E174-D407 PolarHBondContact OE2-N 3.27Å; E174-E427 WeakPolarHBondContact O-CA 3.26Å; E174-F428 HydrophobicContact CB-CD2 4.22Å; E174-F428 HydrophobicContact CB-CE1 4.15Å; E174-F428 HydrophobicContact CB-CE2 3.72Å; E174-F428 HydrophobicContact CB-CZ 3.69Å; E174-F428 HydrophobicContact CG-CE2 4.33Å; E174-F428 PolarHBondContact N-O 3.05Å; E174-F428 VanDerWaalsContact O-CD1 3.25Å; E174-F428 WeakPolarHBondContact O-CD1 3.48Å; E174-F428 WeakPolarHBondContact O-CE1 3.5Å; E174-F428 PolarHBondContact O-N 3.23Å; E174-F428 VanDerWaalsContact O-N 3.09Å
175	V	94.4	Very high	84.7	Confident	2 Å²	2	52.5 Å²	52.5	1%	0.012	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	162.8	176	-65.6	0	0	0	0	110.8	I405 A406 A408 L411 I423 E427	V175-I405 WeakPolarHBondContact O-CA 3.46Å; V175-A406 PolarHBondContact N-O 3.37Å; V175-A406 PolarHBondContact O-N 2.93Å; V175-A406 VanDerWaalsContact O-N 3.15Å; V175-A408 HydrophobicContact CB-CB 4.49Å; V175-A408 HydrophobicContact CG1-CB 3.69Å; V175-A408 HydrophobicContact CG2-CB 4.11Å; V175-L411 HydrophobicContact CG2-CB 3.97Å; V175-L411 HydrophobicContact CG2-CD1 3.65Å; V175-L411 HydrophobicContact CG2-CG 4.41Å; V175-I423 HydrophobicContact CB-CG2 3.79Å; V175-I423 HydrophobicContact CG1-CG2 4.2Å; V175-I423 HydrophobicContact CG2-CD1 4.42Å; V175-I423 HydrophobicContact CG2-CG2 3.9Å; V175-E427 HydrophobicContact CG1-CB 4.23Å; V175-E427 HydrophobicContact CG1-CG 3.53Å
176	I	94.1	Very high	83.6	Confident	4 Å²	4	55 Å²	55	2%	0.021	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	125.5	176.4	-58.1	156	0	0	0	108.1	V178 L305 L308 A403 L404 I405 I423 I424	I176-V178 HydrophobicContact CG2-CG1 4.23Å; I176-L305 HydrophobicContact CD1-CD1 4.28Å; I176-L308 HydrophobicContact CD1-CD2 4.05Å; I176-L308 HydrophobicContact CG1-CD2 4.35Å; I176-A403 HydrophobicContact CG2-CB 3.8Å; I176-L404 WeakPolarHBondContact CA-O 3.47Å; I176-I405 HydrophobicContact CG1-CD1 4.45Å; I176-I405 HydrophobicContact CG1-CG1 3.89Å; I176-I423 CarbonylContact O-C 3.57Å; I176-I423 WeakPolarHBondContact O-CA 3.24Å; I176-I424 PolarHBondContact O-N 2.96Å
177	V	93.1	Very high	82.8	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	135.9	168.7	67.9	0	0	0	0	110.4	L390 A403 L404 L411 F421	V177-L390 HydrophobicContact CG1-CD2 4.37Å; V177-A403 WeakPolarHBondContact O-CA 3.27Å; V177-L404 HydrophobicContact CG1-CB 3.73Å; V177-L404 HydrophobicContact CG1-CD2 4.28Å; V177-L404 HydrophobicContact CG1-CG 4.42Å; V177-L404 WeakPolarHBondContact CG1-O 3.48Å; V177-L404 PolarHBondContact N-O 3.01Å; V177-L404 PolarHBondContact O-N 3.2Å; V177-L411 HydrophobicContact CB-CD1 3.94Å; V177-L411 HydrophobicContact CB-CD2 4.27Å; V177-L411 HydrophobicContact CG1-CD1 3.81Å; V177-L411 HydrophobicContact CG1-CD2 3.79Å; V177-L411 HydrophobicContact CG1-CG 4.43Å; V177-F421 HydrophobicContact CG2-CB 3.74Å; V177-F421 HydrophobicContact CG2-CD1 3.9Å; V177-F421 HydrophobicContact CG2-CG 4.17Å
178	V	91.7	Very high	82	Confident	21 Å²	21	58.8 Å²	58.8	13%	0.127	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	168.6	173.9	-59.1	0	0	0	0	110.4	I176 R180 V393 A403 F421 K422 I424	I176-V178 HydrophobicContact CG2-CG1 4.23Å; V178-R180 PolarHBondContact O-N 2.81Å; V178-V393 VanDerWaalsContact C-CG1 3.44Å; V178-A403 HydrophobicContact CG1-CB 3.73Å; V178-F421 WeakPolarHBondContact O-CA 3.42Å; V178-K422 HydrophobicContact CG2-CB 4.32Å; V178-K422 PolarHBondContact N-O 3.24Å; V178-K422 PolarHBondContact O-N 3.35Å; V178-I424 HydrophobicContact CB-CD1 4.25Å; V178-I424 HydrophobicContact CG1-CD1 3.88Å; V178-I424 HydrophobicContact CG2-CD1 3.33Å; V178-I424 HydrophobicContact CG2-CG1 3.89Å
179	K	90.1	Very high	81.5	Confident	84 Å²	84	61 Å²	61	37%	0.365	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	126.5	167.6	-174.2	174.8	178.3	173.6	0	109.5	S181 V393 L394 S396 R420	K179-S181 PolarHBondContact O-N 3.35Å; K179-V393 HydrophobicContact CB-CG1 4.13Å; K179-L394 PolarHBondContact NZ-O 3.13Å; K179-S396 PolarHBondContact NZ-O 3.35Å; K179-R420 CarbonylContact C-O 3.47Å; K179-R420 WeakPolarHBondContact CA-O 3.3Å
180	R	85.1	Confident	81.1	Confident	51 Å²	51	62.5 Å²	62.5	19%	0.192	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-59.1	123.8	170	-175.9	169.3	-74.6	-163	-16.1	108	V178 C419 R420 K422 P478 D480	V178-R180 PolarHBondContact O-N 2.81Å; R180-C419 VanDerWaalsContact CD-O 3.31Å; R180-C419 WeakPolarHBondContact CD-O 3.48Å; R180-C419 PolarHBondContact NE-O 3.34Å; R180-R420 WeakPolarHBondContact CB-O 3.32Å; R180-R420 PolarHBondContact N-O 3.48Å; R180-K422 HydrophobicContact CB-CB 4.18Å; R180-P478 VanDerWaalsContact NH1-CD 3.31Å; R180-P478 VanDerWaalsContact NH1-CG 3.31Å; R180-P478 PolarHBondContact NH1-O 3.5Å; R180-D480 IonicContact NH2-OD1 2.71Å; R180-D480 PolarHBondContact NH2-OD1 2.85Å
181	S	72.6	Confident	81.2	Confident	83 Å²	83	60.6 Å²	60.6	58%	0.58	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-79.8	121.6	175.6	-61.3	0	0	0	0	108	K179	K179-S181 PolarHBondContact O-N 3.35Å
182	E	65.5	Low	81	Confident	171 Å²	171	60.1 Å²	60.1	80%	0.799	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-74.8	132.5	165.7	-68.5	177.2	179.6	0	0	107.3	E184	E182-E184 PolarHBondContact O-N 2.87Å
183	P	61.8	Low	81	Confident	95 Å²	95	60.8 Å²	60.8	62%	0.617	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-58	128.2	174.2	24.8	-31.8	0	0	0	108	D185	P183-D185 PolarHBondContact O-N 3.23Å
184	E	60.9	Low	80.9	Confident	151 Å²	151	61.8 Å²	61.8	71%	0.706	32%	0.321	S	S	*	.			trans	-67	90.1	172.4	-70.2	-174.2	176.2	0	0	108.3	E182 S186	E182-E184 PolarHBondContact O-N 2.87Å; E184-S186 PolarHBondContact O-N 3.03Å
185	D	64	Low	80.8	Confident	70 Å²	70	68.3 Å²	68.3	37%	0.374	35%	0.352	S	S	.	.			trans	-72	96	175.8	-78.4	-30.3	0	0	0	108.3	P183 M490	P183-D185 PolarHBondContact O-N 3.23Å; D185-M490 HydrophobicContact CB-CB 4.34Å; D185-M490 HydrophobicContact CB-SD 4.48Å
186	S	70	Confident	80.6	Confident	61 Å²	61	75.2 Å²	75.2	43%	0.427	39%	0.388	S	S	.	.			trans	-102.2	122.7	173.5	-70.5	0	0	0	0	109.5	E184 F188 K189	E184-S186 PolarHBondContact O-N 3.03Å; S186-F188 PolarHBondContact O-N 3.41Å; S186-K189 PolarHBondContact O-N 2.82Å
187	F	76.2	Confident	80.7	Confident	106 Å²	106	79.5 Å²	79.5	47%	0.465	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-25.2	177.2	-73.8	-74.4	0	0	0	114	M490 G494 I497	F187-M490 WeakPolarHBondContact CD1-O 3.42Å; F187-G494 WeakPolarHBondContact O-CA 3.13Å; F187-G494 PolarHBondContact O-N 3.34Å; F187-I497 HydrophobicContact CD1-CD1 4.48Å
188	F	78.7	Confident	80.7	Confident	102 Å²	102	81.9 Å²	81.9	45%	0.447	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	24.7	-175.8	-61.3	-75.5	0	0	0	113.8	S186 F190 V191 V498	S186-F188 PolarHBondContact O-N 3.41Å; F188-F190 AromaticContact CD1-CE1 3.92Å; F188-F190 HydrophobicContact CD1-CE1 3.92Å; F188-F190 AromaticContact CD1-CZ 3.98Å; F188-F190 HydrophobicContact CD1-CZ 3.98Å; F188-F190 PolarHBondContact O-N 2.99Å; F188-F190 VanDerWaalsContact O-N 3.08Å; F188-V191 HydrophobicContact CB-CG2 4.26Å; F188-V191 WeakPolarHBondContact O-CB 3.19Å; F188-V191 PolarHBondContact O-N 3.48Å; F188-V498 HydrophobicContact CE1-CG2 4.49Å
189	K	79.2	Confident	80.8	Confident	51 Å²	51	85.3 Å²	85.3	22%	0.222	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-25.1	178.8	-153.2	-179.8	-162	-179.8	0	113.4	S186 V191 T192 F292	S186-K189 PolarHBondContact O-N 2.82Å; K189-V191 VanDerWaalsContact C-N 3.28Å; K189-V191 PolarHBondContact O-N 3.17Å; K189-T192 PolarHBondContact O-N 2.96Å; K189-T192 PolarHBondContact O-OG1 3.21Å; K189-F292 HydrophobicContact CD-CE1 3.81Å; K189-F292 HydrophobicContact CD-CZ 4.45Å; K189-F292 VanDerWaalsContact CE-CE1 3.46Å; K189-F292 HydrophobicContact CG-CE1 3.77Å; K189-F292 HydrophobicContact CG-CZ 4.29Å
190	F	82	Confident	81	Confident	47 Å²	47	83.5 Å²	83.5	21%	0.206	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-20.5	175.9	69.3	-90.4	0	0	0	114	F188 Y285 V495	F188-F190 AromaticContact CD1-CE1 3.92Å; F188-F190 HydrophobicContact CD1-CE1 3.92Å; F188-F190 AromaticContact CD1-CZ 3.98Å; F188-F190 HydrophobicContact CD1-CZ 3.98Å; F188-F190 PolarHBondContact O-N 2.99Å; F188-F190 VanDerWaalsContact O-N 3.08Å; F190-Y285 PolarHBondContact O-OH 3.46Å; F190-V495 HydrophobicContact CD1-CG2 3.96Å; F190-V495 HydrophobicContact CE1-CG2 3.91Å; F190-V495 HydrophobicContact CG-CG2 4.35Å; F190-V495 HydrophobicContact CZ-CG2 4.24Å
191	V	85.5	Confident	81.4	Confident	57 Å²	57	84.4 Å²	84.4	35%	0.345	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-32.6	177.9	-177.9	0	0	0	0	110.8	F188 K189 V193 L194 W199	F188-V191 HydrophobicContact CB-CG2 4.26Å; F188-V191 WeakPolarHBondContact O-CB 3.19Å; F188-V191 PolarHBondContact O-N 3.48Å; K189-V191 VanDerWaalsContact C-N 3.28Å; K189-V191 PolarHBondContact O-N 3.17Å; V191-V193 PolarHBondContact O-N 2.87Å; V191-L194 PolarHBondContact O-N 3.08Å; V191-W199 PolarHBondContact O-NE1 2.64Å
192	T	84.8	Confident	82.4	Confident	93 Å²	93	81.6 Å²	81.6	57%	0.571	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-5.4	-177.6	63.6	0	0	0	0	113.6	K189 L194	K189-T192 PolarHBondContact O-N 2.96Å; K189-T192 PolarHBondContact O-OG1 3.21Å; T192-L194 PolarHBondContact O-N 2.73Å
193	V	86.9	Confident	83.7	Confident	19 Å²	19	78.5 Å²	78.5	12%	0.115	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-28.2	175.9	177.7	0	0	0	0	111.7	V191 Y285 N288 L289	V191-V193 PolarHBondContact O-N 2.87Å; V193-Y285 HydrophobicContact CB-CD2 4.43Å; V193-Y285 HydrophobicContact CB-CE2 3.93Å; V193-Y285 HydrophobicContact CG1-CD2 4.13Å; V193-Y285 HydrophobicContact CG1-CE2 4.07Å; V193-N288 HydrophobicContact CG1-CB 3.54Å; V193-L289 HydrophobicContact CG1-CB 4.2Å; V193-L289 HydrophobicContact CG2-CB 4.39Å; V193-L289 HydrophobicContact CG2-CD1 3.78Å
194	L	88.9	Confident	85.3	Confident	22 Å²	22	75.8 Å²	75.8	12%	0.115	42%	0.416	C	S	.	.	S	Bend	trans	-117.4	138.9	172.9	-66.9	174.5	0	0	0	109.4	V191 T192 V198 W199 I202 Y285	V191-L194 PolarHBondContact O-N 3.08Å; T192-L194 PolarHBondContact O-N 2.73Å; L194-V198 HydrophobicContact CD2-CG1 4.34Å; L194-W199 HydrophobicContact CB-CZ2 4.41Å; L194-W199 HydrophobicContact CD1-CH2 4.48Å; L194-W199 HydrophobicContact CD1-CZ2 4.12Å; L194-W199 PolarHBondContact O-NE1 3.5Å; L194-I202 HydrophobicContact CD1-CD1 4.24Å; L194-Y285 HydrophobicContact CD1-CD2 3.75Å; L194-Y285 HydrophobicContact CG-CD2 3.94Å
195	E	91	Very high	86.9	Confident	145 Å²	145	69.9 Å²	69.9	68%	0.678	39%	0.392	S	S	*	.			trans	-67.3	151	176.6	-58.5	-171.6	156.5	0	0	111.4	P197 V198 W199	E195-P197 VanDerWaalsContact C-N 3.33Å; E195-V198 HydrophobicContact CB-CG2 4.41Å; E195-V198 WeakPolarHBondContact O-CB 3.26Å; E195-V198 PolarHBondContact O-N 2.81Å; E195-W199 PolarHBondContact O-N 3.48Å
196	L	91	Very high	88.3	Confident	147 Å²	147	67.6 Å²	67.6	77%	0.77	38%	0.378	S	S	*	.	H	α-helix	trans	-54	-38.6	-179.4	-168.9	68.9	0	0	0	114.3	V198 W199 G200	L196-V198 VanDerWaalsContact C-N 3.27Å; L196-V198 PolarHBondContact O-N 3.13Å; L196-W199 WeakPolarHBondContact O-CB 3.49Å; L196-W199 PolarHBondContact O-N 2.99Å; L196-G200 PolarHBondContact O-N 2.94Å
197	P	95.1	Very high	89.4	Confident	93 Å²	93	68.7 Å²	68.7	60%	0.604	38%	0.379	S	S	*	.	H	α-helix	trans	-61.9	-33	175.2	-23.9	36	0	0	0	113.4	E195 G200 S201	E195-P197 VanDerWaalsContact C-N 3.33Å; P197-G200 PolarHBondContact O-N 3.21Å; P197-S201 PolarHBondContact O-N 3.48Å
198	V	93.8	Very high	90.3	Very high	50 Å²	50	69.8 Å²	69.8	30%	0.303	38%	0.384	S	S	.	.	H	α-helix	trans	-70.4	-40.6	177.6	-176.5	0	0	0	0	110.3	L194 E195 L196 G200 S201 I202	L194-V198 HydrophobicContact CD2-CG1 4.34Å; E195-V198 HydrophobicContact CB-CG2 4.41Å; E195-V198 WeakPolarHBondContact O-CB 3.26Å; E195-V198 PolarHBondContact O-N 2.81Å; L196-V198 VanDerWaalsContact C-N 3.27Å; L196-V198 PolarHBondContact O-N 3.13Å; V198-G200 VanDerWaalsContact C-N 3.31Å; V198-G200 PolarHBondContact O-N 3.46Å; V198-S201 PolarHBondContact O-N 3.14Å; V198-S201 PolarHBondContact O-OG 2.93Å; V198-I202 HydrophobicContact CG1-CD1 4.05Å; V198-I202 VanDerWaalsContact O-CG1 3.29Å; V198-I202 WeakPolarHBondContact O-CG1 3.39Å; V198-I202 PolarHBondContact O-N 2.94Å
199	W	92.7	Very high	91	Very high	94 Å²	94	65.9 Å²	65.9	36%	0.356	37%	0.368	S	S	.	.	H	α-helix	trans	-59.8	-43.2	172	-75.7	111.8	0	0	0	112.2	V191 L194 E195 L196 S201 I202 L203	V191-W199 PolarHBondContact O-NE1 2.64Å; L194-W199 HydrophobicContact CB-CZ2 4.41Å; L194-W199 HydrophobicContact CD1-CH2 4.48Å; L194-W199 HydrophobicContact CD1-CZ2 4.12Å; L194-W199 PolarHBondContact O-NE1 3.5Å; E195-W199 PolarHBondContact O-N 3.48Å; L196-W199 WeakPolarHBondContact O-CB 3.49Å; L196-W199 PolarHBondContact O-N 2.99Å; W199-S201 VanDerWaalsContact C-N 3.34Å; W199-S201 PolarHBondContact O-N 3Å; W199-I202 HydrophobicContact CE3-CD1 4.49Å; W199-I202 PolarHBondContact O-N 3.02Å; W199-L203 PolarHBondContact O-N 2.93Å
200	G	94.5	Very high	91.6	Very high	46 Å²	46	63.4 Å²	63.4	47%	0.474	36%	0.357	S	S	.	.	H	α-helix	trans	-60.7	-40.9	175.1	0	0	0	0	0	112.9	L196 P197 V198 L203 G204	L196-G200 PolarHBondContact O-N 2.94Å; P197-G200 PolarHBondContact O-N 3.21Å; V198-G200 VanDerWaalsContact C-N 3.31Å; V198-G200 PolarHBondContact O-N 3.46Å; G200-L203 PolarHBondContact O-N 3.43Å; G200-G204 PolarHBondContact O-N 3.02Å
201	S	93.9	Very high	92.1	Very high	70 Å²	70	65.5 Å²	65.5	49%	0.49	37%	0.366	S	S	.	.	H	α-helix	trans	-71	-35.3	178.6	72.5	0	0	0	0	112.9	P197 V198 W199 G204 S205	P197-S201 PolarHBondContact O-N 3.48Å; V198-S201 PolarHBondContact O-N 3.14Å; V198-S201 PolarHBondContact O-OG 2.93Å; W199-S201 VanDerWaalsContact C-N 3.34Å; W199-S201 PolarHBondContact O-N 3Å; S201-G204 PolarHBondContact O-N 2.9Å; S201-S205 WeakPolarHBondContact O-CB 3.19Å; S201-S205 PolarHBondContact O-N 2.63Å; S201-S205 PolarHBondContact O-OG 3.42Å
202	I	93.2	Very high	92.5	Very high	24 Å²	24	64.8 Å²	64.8	12%	0.123	36%	0.361	C	S	.	.	H	α-helix	trans	-64	-44.9	172.7	-67.7	164.7	0	0	0	110.6	L194 V198 W199 S205 F206 I281	L194-I202 HydrophobicContact CD1-CD1 4.24Å; V198-I202 HydrophobicContact CG1-CD1 4.05Å; V198-I202 VanDerWaalsContact O-CG1 3.29Å; V198-I202 WeakPolarHBondContact O-CG1 3.39Å; V198-I202 PolarHBondContact O-N 2.94Å; W199-I202 HydrophobicContact CE3-CD1 4.49Å; W199-I202 PolarHBondContact O-N 3.02Å; I202-S205 PolarHBondContact O-N 2.8Å; I202-S205 PolarHBondContact O-OG 2.69Å; I202-F206 WeakPolarHBondContact O-CB 3.29Å; I202-F206 PolarHBondContact O-N 2.87Å; I202-I281 HydrophobicContact CD1-CG2 3.82Å; I202-I281 HydrophobicContact CG1-CG2 4.37Å
203	L	93.8	Very high	92.7	Very high	105 Å²	105	60.5 Å²	60.5	55%	0.55	33%	0.334	S	S	.	.	H	α-helix	trans	-65.1	-42	176.9	-176.3	64.5	0	0	0	111.4	W199 G200 F206 L207	W199-L203 PolarHBondContact O-N 2.93Å; G200-L203 PolarHBondContact O-N 3.43Å; L203-F206 HydrophobicContact CD1-CD1 4.43Å; L203-F206 PolarHBondContact O-N 3.22Å; L203-L207 WeakPolarHBondContact O-CG 3.5Å; L203-L207 PolarHBondContact O-N 3.36Å; L203-L207 VanDerWaalsContact O-N 3.08Å
204	G	95.2	Very high	92.8	Very high	38 Å²	38	63.1 Å²	63.1	39%	0.392	34%	0.342	S	S	.	.	H	α-helix	trans	-61.9	-44.9	175.6	0	0	0	0	0	112.6	G200 S201 L207 F208	G200-G204 PolarHBondContact O-N 3.02Å; S201-G204 PolarHBondContact O-N 2.9Å; G204-L207 PolarHBondContact O-N 2.68Å; G204-F208 VanDerWaalsContact O-CB 3.25Å; G204-F208 WeakPolarHBondContact O-CB 3.36Å; G204-F208 PolarHBondContact O-N 3.18Å
205	S	93.5	Very high	92.9	Very high	28 Å²	28	64.1 Å²	64.1	20%	0.196	35%	0.347	C	S	.	.	H	α-helix	trans	-66.2	-38.9	178	73.3	0	0	0	0	111.7	S201 I202 F208 T209 F277	S201-S205 WeakPolarHBondContact O-CB 3.19Å; S201-S205 PolarHBondContact O-N 2.63Å; S201-S205 PolarHBondContact O-OG 3.42Å; I202-S205 PolarHBondContact O-N 2.8Å; I202-S205 PolarHBondContact O-OG 2.69Å; S205-F208 PolarHBondContact O-N 3.36Å; S205-T209 WeakPolarHBondContact O-CG2 3.34Å; S205-T209 PolarHBondContact O-N 2.66Å; S205-T209 PolarHBondContact O-OG1 3.16Å; S205-F277 VanDerWaalsContact OG-CE1 3.26Å; S205-F277 WeakPolarHBondContact OG-CE1 3.41Å; S205-F277 WeakPolarHBondContact OG-CZ 3.44Å
206	F	93.6	Very high	92.8	Very high	22 Å²	22	60.7 Å²	60.7	10%	0.096	33%	0.33	C	S	.	.	H	α-helix	trans	-59	-47.8	173.8	167.7	-101.9	0	0	0	113.1	I202 L203 T209 S210 L246 C249 M250 L253 W274	I202-F206 WeakPolarHBondContact O-CB 3.29Å; I202-F206 PolarHBondContact O-N 2.87Å; L203-F206 HydrophobicContact CD1-CD1 4.43Å; L203-F206 PolarHBondContact O-N 3.22Å; F206-T209 PolarHBondContact O-OG1 2.98Å; F206-S210 WeakPolarHBondContact O-CB 3.38Å; F206-S210 PolarHBondContact O-N 2.96Å; F206-S210 VanDerWaalsContact O-N 3.11Å; F206-S210 PolarHBondContact O-OG 3.37Å; F206-L246 HydrophobicContact CD1-CD2 4.5Å; F206-L246 HydrophobicContact CE1-CD2 3.61Å; F206-L246 HydrophobicContact CZ-CB 4.41Å; F206-L246 HydrophobicContact CZ-CD2 3.72Å; F206-C249 HydrophobicContact CD2-CB 3.77Å; F206-C249 HydrophobicContact CE2-CB 3.53Å; F206-M250 HydrophobicContact CE2-CB 4.12Å; F206-M250 HydrophobicContact CE2-CE 4.39Å; F206-M250 HydrophobicContact CZ-CB 4.4Å; F206-M250 HydrophobicContact CZ-CE 4.05Å; F206-L253 HydrophobicContact CD2-CD1 4.48Å; F206-W274 VanDerWaalsContact CA-CH2 3.41Å; F206-W274 HydrophobicContact CB-CH2 3.8Å; F206-W274 HydrophobicContact CB-CZ2 4.32Å; F206-W274 HydrophobicContact CD2-CH2 4.3Å; F206-W274 AromaticContact CD2-CZ2 3.97Å; F206-W274 HydrophobicContact CD2-CZ2 3.97Å
207	L	94.7	Very high	92.6	Very high	84 Å²	84	54 Å²	54	44%	0.44	30%	0.295	S	S	.	.	H	α-helix	trans	-67.6	-40.2	177.9	-67.7	176.4	0	0	0	111.2	L203 G204 S210 F211 L246	L203-L207 WeakPolarHBondContact O-CG 3.5Å; L203-L207 PolarHBondContact O-N 3.36Å; L203-L207 VanDerWaalsContact O-N 3.08Å; G204-L207 PolarHBondContact O-N 2.68Å; L207-S210 PolarHBondContact O-N 3.1Å; L207-F211 VanDerWaalsContact O-CB 3.31Å; L207-F211 WeakPolarHBondContact O-CB 3.44Å; L207-F211 PolarHBondContact O-N 3.13Å; L207-L246 HydrophobicContact CD2-CD2 3.91Å
208	F	94.6	Very high	92.1	Very high	128 Å²	128	56.5 Å²	56.5	56%	0.561	29%	0.292	S	S	*	.	H	α-helix	trans	-65.1	-46.5	179.5	-178	-109.2	0	0	0	112.5	G204 S205 F211 L212	G204-F208 VanDerWaalsContact O-CB 3.25Å; G204-F208 WeakPolarHBondContact O-CB 3.36Å; G204-F208 PolarHBondContact O-N 3.18Å; S205-F208 PolarHBondContact O-N 3.36Å; F208-F211 PolarHBondContact O-N 3.26Å; F208-L212 HydrophobicContact CD1-CD1 3.92Å; F208-L212 HydrophobicContact CD1-CG 4.42Å; F208-L212 HydrophobicContact CE1-CD1 3.38Å; F208-L212 HydrophobicContact CE1-CG 4.09Å; F208-L212 HydrophobicContact CE2-CD1 4.46Å; F208-L212 HydrophobicContact CE2-CD2 4.47Å; F208-L212 HydrophobicContact CE2-CG 4.34Å; F208-L212 HydrophobicContact CZ-CD1 3.7Å; F208-L212 HydrophobicContact CZ-CD2 4.22Å; F208-L212 HydrophobicContact CZ-CG 4.04Å; F208-L212 WeakPolarHBondContact O-CG 3.07Å; F208-L212 PolarHBondContact O-N 3.43Å
209	T	92.6	Very high	91.6	Very high	20 Å²	20	61.6 Å²	61.6	12%	0.123	31%	0.311	C	S	.	.	H	α-helix	trans	-66.4	-39.5	177.3	53.8	0	0	0	0	112	S205 F206 F211 L212 I213 W274	S205-T209 WeakPolarHBondContact O-CG2 3.34Å; S205-T209 PolarHBondContact O-N 2.66Å; S205-T209 PolarHBondContact O-OG1 3.16Å; F206-T209 PolarHBondContact O-OG1 2.98Å; T209-F211 VanDerWaalsContact C-N 3.3Å; T209-F211 PolarHBondContact O-N 3.24Å; T209-L212 PolarHBondContact O-N 2.9Å; T209-I213 WeakPolarHBondContact O-CG1 3.44Å; T209-I213 PolarHBondContact O-N 2.96Å; T209-W274 HydrophobicContact CG2-CD2 4.29Å; T209-W274 HydrophobicContact CG2-CE3 3.45Å; T209-W274 VanDerWaalsContact CG2-CE3 3.45Å; T209-W274 HydrophobicContact CG2-CZ3 3.85Å; T209-W274 WeakPolarHBondContact OG1-CZ3 3.37Å
210	S	92.5	Very high	91.2	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-60.1	-41.2	174.1	-58	0	0	0	0	112	F206 L207 W214 S245 C249	F206-S210 WeakPolarHBondContact O-CB 3.38Å; F206-S210 PolarHBondContact O-N 2.96Å; F206-S210 VanDerWaalsContact O-N 3.11Å; F206-S210 PolarHBondContact O-OG 3.37Å; L207-S210 PolarHBondContact O-N 3.1Å; S210-W214 PolarHBondContact O-N 3.22Å; S210-W214 VanDerWaalsContact O-N 3.16Å; S210-S245 VanDerWaalsContact O-CB 3.25Å; S210-S245 WeakPolarHBondContact O-CB 3.31Å; S210-C249 WeakPolarHBondContact OG-CB 3.47Å; S210-C249 PolarHBondContact OG-SG 3.39Å
211	F	93.1	Very high	90.3	Very high	90 Å²	90	59.6 Å²	59.6	40%	0.395	30%	0.302	S	S	.	.	H	α-helix	trans	-67.1	-42.6	175.6	-178.4	-107.7	0	0	0	112.5	L207 F208 T209 W214 I215 F242	L207-F211 VanDerWaalsContact O-CB 3.31Å; L207-F211 WeakPolarHBondContact O-CB 3.44Å; L207-F211 PolarHBondContact O-N 3.13Å; F208-F211 PolarHBondContact O-N 3.26Å; T209-F211 VanDerWaalsContact C-N 3.3Å; T209-F211 PolarHBondContact O-N 3.24Å; F211-W214 AromaticContact CD2-CE3 3.88Å; F211-W214 HydrophobicContact CD2-CE3 3.88Å; F211-W214 HydrophobicContact CD2-CZ3 4.16Å; F211-W214 AromaticContact CE2-CE3 3.89Å; F211-W214 HydrophobicContact CE2-CE3 3.89Å; F211-W214 AromaticContact CE2-CZ3 3.71Å; F211-W214 HydrophobicContact CE2-CZ3 3.71Å; F211-W214 PolarHBondContact O-N 2.98Å; F211-I215 HydrophobicContact CD1-CD1 3.75Å; F211-I215 HydrophobicContact CE1-CD1 3.19Å; F211-I215 HydrophobicContact CE1-CG1 4.22Å; F211-I215 HydrophobicContact CE2-CD1 4.16Å; F211-I215 HydrophobicContact CE2-CG1 4.49Å; F211-I215 HydrophobicContact CG-CD1 4.45Å; F211-I215 HydrophobicContact CZ-CD1 3.44Å; F211-I215 VanDerWaalsContact CZ-CD1 3.44Å; F211-I215 HydrophobicContact CZ-CG1 4.22Å; F211-I215 WeakPolarHBondContact O-CG1 3.37Å; F211-I215 PolarHBondContact O-N 3.47Å; F211-F242 HydrophobicContact CB-CE2 4.38Å; F211-F242 HydrophobicContact CD2-CE2 4.33Å
212	L	92.3	Very high	89.6	Confident	43 Å²	43	63 Å²	63	23%	0.225	31%	0.305	C	S	.	.	H	α-helix	trans	-62.9	-43.2	176.4	-74.8	-178.7	0	0	0	112.6	F208 T209 W214 I215 F216 I270	F208-L212 HydrophobicContact CD1-CD1 3.92Å; F208-L212 HydrophobicContact CD1-CG 4.42Å; F208-L212 HydrophobicContact CE1-CD1 3.38Å; F208-L212 HydrophobicContact CE1-CG 4.09Å; F208-L212 HydrophobicContact CE2-CD1 4.46Å; F208-L212 HydrophobicContact CE2-CD2 4.47Å; F208-L212 HydrophobicContact CE2-CG 4.34Å; F208-L212 HydrophobicContact CZ-CD1 3.7Å; F208-L212 HydrophobicContact CZ-CD2 4.22Å; F208-L212 HydrophobicContact CZ-CG 4.04Å; F208-L212 WeakPolarHBondContact O-CG 3.07Å; F208-L212 PolarHBondContact O-N 3.43Å; T209-L212 PolarHBondContact O-N 2.9Å; L212-W214 VanDerWaalsContact C-N 3.3Å; L212-W214 PolarHBondContact O-N 3.49Å; L212-I215 PolarHBondContact O-N 3.33Å; L212-F216 WeakPolarHBondContact O-CB 3.31Å; L212-F216 WeakPolarHBondContact O-CD1 3.2Å; L212-F216 PolarHBondContact O-N 3.4Å; L212-I270 HydrophobicContact CB-CD1 4Å
213	I	90.3	Very high	88.8	Confident	2 Å²	2	61.9 Å²	61.9	1%	0.01	30%	0.299	C	S	.	.	H	α-helix	trans	-59.4	-45.2	175.8	-69.3	174.1	0	0	0	110	T209 F216 D217 F240 F248 I270	T209-I213 WeakPolarHBondContact O-CG1 3.44Å; T209-I213 PolarHBondContact O-N 2.96Å; I213-F216 PolarHBondContact O-N 3.41Å; I213-D217 WeakPolarHBondContact O-CB 3.33Å; I213-D217 PolarHBondContact O-N 3.42Å; I213-F240 HydrophobicContact CG2-CB 4.28Å; I213-F240 HydrophobicContact CG2-CD1 3.73Å; I213-F240 HydrophobicContact CG2-CE1 4.31Å; I213-F240 HydrophobicContact CG2-CG 4.1Å; I213-F248 HydrophobicContact CD1-CD1 3.79Å; I213-F248 HydrophobicContact CD1-CE1 3.93Å; I213-I270 HydrophobicContact CD1-CG2 4.25Å; I213-I270 HydrophobicContact CG1-CB 4.48Å; I213-I270 HydrophobicContact CG1-CG2 3.75Å
214	W	89.2	Confident	87.9	Confident	75 Å²	75	58.2 Å²	58.2	28%	0.284	28%	0.278	S	S	.	.	H	α-helix	trans	-61.5	-44.4	177.5	175.5	61.3	0	0	0	113	S210 F211 L212 R218 F242	S210-W214 PolarHBondContact O-N 3.22Å; S210-W214 VanDerWaalsContact O-N 3.16Å; F211-W214 AromaticContact CD2-CE3 3.88Å; F211-W214 HydrophobicContact CD2-CE3 3.88Å; F211-W214 HydrophobicContact CD2-CZ3 4.16Å; F211-W214 AromaticContact CE2-CE3 3.89Å; F211-W214 HydrophobicContact CE2-CE3 3.89Å; F211-W214 AromaticContact CE2-CZ3 3.71Å; F211-W214 HydrophobicContact CE2-CZ3 3.71Å; F211-W214 PolarHBondContact O-N 2.98Å; L212-W214 VanDerWaalsContact C-N 3.3Å; L212-W214 PolarHBondContact O-N 3.49Å; W214-R218 WeakPolarHBondContact O-CB 3.47Å; W214-R218 PolarHBondContact O-N 3.31Å; W214-R218 VanDerWaalsContact O-N 3.08Å; W214-F242 HydrophobicContact CB-CD2 4.28Å; W214-F242 HydrophobicContact CD2-CB 4.27Å; W214-F242 HydrophobicContact CD2-CD2 4.35Å; W214-F242 HydrophobicContact CE3-CD2 4.44Å; W214-F242 HydrophobicContact CG-CB 4.08Å; W214-F242 HydrophobicContact CG-CD2 4.29Å
215	I	90.5	Very high	86.9	Confident	43 Å²	43	60.7 Å²	60.7	22%	0.221	28%	0.279	C	S	.	.	H	α-helix	trans	-61.9	-47.1	175.6	-73.7	-178.8	0	0	0	110.7	F211 L212 D217 R218 F219	F211-I215 HydrophobicContact CD1-CD1 3.75Å; F211-I215 HydrophobicContact CE1-CD1 3.19Å; F211-I215 HydrophobicContact CE1-CG1 4.22Å; F211-I215 HydrophobicContact CE2-CD1 4.16Å; F211-I215 HydrophobicContact CE2-CG1 4.49Å; F211-I215 HydrophobicContact CG-CD1 4.45Å; F211-I215 HydrophobicContact CZ-CD1 3.44Å; F211-I215 VanDerWaalsContact CZ-CD1 3.44Å; F211-I215 HydrophobicContact CZ-CG1 4.22Å; F211-I215 WeakPolarHBondContact O-CG1 3.37Å; F211-I215 PolarHBondContact O-N 3.47Å; L212-I215 PolarHBondContact O-N 3.33Å; I215-D217 VanDerWaalsContact C-N 3.32Å; I215-D217 PolarHBondContact O-N 2.87Å; I215-R218 PolarHBondContact O-N 3Å; I215-F219 HydrophobicContact CG2-CD2 3.68Å; I215-F219 HydrophobicContact CG2-CE2 4.06Å; I215-F219 WeakPolarHBondContact O-CD2 3.4Å; I215-F219 PolarHBondContact O-N 3.36Å
216	F	88.9	Confident	86.2	Confident	73 Å²	73	63.3 Å²	63.3	32%	0.32	29%	0.291	S	S	.	.	H	α-helix	trans	-69.6	-34.1	-174.5	-81.4	28	0	0	0	111.5	L212 I213 S220 N264 I270	L212-F216 WeakPolarHBondContact O-CB 3.31Å; L212-F216 WeakPolarHBondContact O-CD1 3.2Å; L212-F216 PolarHBondContact O-N 3.4Å; I213-F216 PolarHBondContact O-N 3.41Å; F216-S220 WeakPolarHBondContact O-CB 3.48Å; F216-S220 PolarHBondContact O-N 3.44Å; F216-N264 PolarHBondContact O-ND2 2.66Å; F216-I270 HydrophobicContact CD1-CD1 4.45Å; F216-I270 HydrophobicContact CD2-CD1 3.23Å; F216-I270 HydrophobicContact CD2-CG1 4.32Å; F216-I270 HydrophobicContact CE2-CD1 3.36Å; F216-I270 HydrophobicContact CE2-CG1 4.22Å; F216-I270 HydrophobicContact CG-CD1 3.84Å; F216-I270 HydrophobicContact CZ-CD1 4.06Å
217	D	86.3	Confident	85.4	Confident	5 Å²	5	64.6 Å²	64.6	3%	0.027	30%	0.299	C	S	.	.	H	α-helix	trans	-65.9	-41.2	172.6	-158.4	53.9	0	0	0	111.2	I213 I215 S223 F240	I213-D217 WeakPolarHBondContact O-CB 3.33Å; I213-D217 PolarHBondContact O-N 3.42Å; I215-D217 VanDerWaalsContact C-N 3.32Å; I215-D217 PolarHBondContact O-N 2.87Å; D217-S223 WeakPolarHBondContact O-CB 3.44Å; D217-S223 PolarHBondContact O-OG 3.21Å; D217-S223 WeakPolarHBondContact OD1-CB 3.41Å; D217-S223 PolarHBondContact OD1-OG 3.2Å; D217-S223 PolarHBondContact OD2-OG 3.4Å; D217-F240 HydrophobicContact CB-CB 3.88Å; D217-F240 WeakPolarHBondContact OD2-CB 3.37Å; D217-F240 PolarHBondContact OD2-N 3.13Å
218	R	84.4	Confident	84.6	Confident	146 Å²	146	65.5 Å²	65.5	55%	0.551	30%	0.299	S	S	*	.	H	α-helix	trans	-68.2	-42.1	179.8	-171.4	170.2	-174	151.8	3.4	113.7	W214 I215 N226	W214-R218 WeakPolarHBondContact O-CB 3.47Å; W214-R218 PolarHBondContact O-N 3.31Å; W214-R218 VanDerWaalsContact O-N 3.08Å; I215-R218 PolarHBondContact O-N 3Å; R218-N226 PolarHBondContact O-ND2 3.36Å
219	F	83.8	Confident	83.6	Confident	158 Å²	158	67.7 Å²	67.7	69%	0.693	31%	0.311	S	S	*	.	H	α-helix	trans	-93.3	-21.5	-174.3	-74.3	-71	0	0	0	114.6	I215	I215-F219 HydrophobicContact CG2-CD2 3.68Å; I215-F219 HydrophobicContact CG2-CE2 4.06Å; I215-F219 WeakPolarHBondContact O-CD2 3.4Å; I215-F219 PolarHBondContact O-N 3.36Å
220	S	83.8	Confident	82.9	Confident	15 Å²	15	73 Å²	73	11%	0.105	33%	0.333	C	S	.	.			trans	-74.3	128.6	-177.1	-172.7	0	0	0	0	111	F216 Y222 S223 N226 N264	F216-S220 WeakPolarHBondContact O-CB 3.48Å; F216-S220 PolarHBondContact O-N 3.44Å; S220-Y222 PolarHBondContact O-N 2.72Å; S220-Y222 PolarHBondContact OG-N 3.18Å; S220-S223 WeakPolarHBondContact O-CB 3.46Å; S220-S223 PolarHBondContact O-N 2.88Å; S220-N226 PolarHBondContact O-ND2 3.38Å; S220-N264 WeakPolarHBondContact CB-ND2 3.44Å; S220-N264 WeakPolarHBondContact OG-CB 3.39Å
221	P	76	Confident	82.1	Confident	82 Å²	82	74.2 Å²	74.2	53%	0.532	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-13.8	175	28.6	-34.8	0	0	0	112.7
222	Y	78.5	Confident	81	Confident	142 Å²	142	76.1 Å²	76.1	56%	0.557	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	9.4	178.5	-52.6	-67.6	0	0	0	113.2	S220 Y231	S220-Y222 PolarHBondContact O-N 2.72Å; S220-Y222 PolarHBondContact OG-N 3.18Å; Y222-Y231 PolarHBondContact O-OH 3.48Å; Y222-Y231 VanDerWaalsContact O-OH 3.06Å
223	S	77.5	Confident	80.3	Confident	0 Å²	0	81.6 Å²	81.6	0%	0	38%	0.377	C	S	.	.	S	Bend	trans	-76	153	172.9	167.8	0	0	0	0	111.1	D217 S220 H225 N226 N227	D217-S223 WeakPolarHBondContact O-CB 3.44Å; D217-S223 PolarHBondContact O-OG 3.21Å; D217-S223 WeakPolarHBondContact OD1-CB 3.41Å; D217-S223 PolarHBondContact OD1-OG 3.2Å; D217-S223 PolarHBondContact OD2-OG 3.4Å; S220-S223 WeakPolarHBondContact O-CB 3.46Å; S220-S223 PolarHBondContact O-N 2.88Å; S223-H225 PolarHBondContact O-N 3.34Å; S223-H225 PolarHBondContact OG-N 3.25Å; S223-N226 PolarHBondContact O-N 3.05Å; S223-N227 PolarHBondContact O-N 3.16Å
224	Y	75.3	Confident	79.6	Confident	28 Å²	28	84 Å²	84	11%	0.11	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-34.9	168	-176.8	-100.4	0	0	0	112.1	N226 K228 Y231 K237 E239	Y224-N226 PolarHBondContact O-N 3.22Å; Y224-K228 VanDerWaalsContact O-CG 3.23Å; Y224-K228 WeakPolarHBondContact O-CG 3.41Å; Y224-Y231 HydrophobicContact CD2-CD2 4.21Å; Y224-Y231 HydrophobicContact CD2-CG 4.14Å; Y224-K237 HydrophobicContact CE1-CB 4.21Å; Y224-K237 HydrophobicContact CE2-CB 4.06Å; Y224-K237 HydrophobicContact CE2-CG 3.87Å; Y224-K237 WeakPolarHBondContact OH-CB 3.31Å; Y224-E239 HydrophobicContact CD1-CG 3.61Å; Y224-E239 HydrophobicContact CE1-CG 3.76Å
225	H	74.4	Confident	78.9	Confident	90 Å²	90	86.2 Å²	86.2	42%	0.417	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-42.8	-180	-171.1	77.5	0	0	0	112.4	S223	S223-H225 PolarHBondContact O-N 3.34Å; S223-H225 PolarHBondContact OG-N 3.25Å
226	N	76.9	Confident	78.1	Confident	83 Å²	83	88.9 Å²	88.9	44%	0.444	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-18	-174.4	-70.8	-24.4	0	0	0	113.9	R218 S220 S223 Y224	R218-N226 PolarHBondContact O-ND2 3.36Å; S220-N226 PolarHBondContact O-ND2 3.38Å; S223-N226 PolarHBondContact O-N 3.05Å; Y224-N226 PolarHBondContact O-N 3.22Å
227	N	78.4	Confident	77.4	Confident	49 Å²	49	90.8 Å²	90.8	26%	0.262	43%	0.434	S	S	.	.			trans	-136.5	60.8	-176.5	-165.1	-8.3	0	0	0	112.3	S223 E229 K230 Y231	S223-N227 PolarHBondContact O-N 3.16Å; N227-E229 VanDerWaalsContact C-N 3.26Å; N227-E229 PolarHBondContact O-N 2.53Å; N227-K230 PolarHBondContact O-N 2.86Å; N227-K230 WeakPolarHBondContact OD1-CB 3.44Å; N227-K230 PolarHBondContact OD1-N 3.23Å; N227-Y231 HydrophobicContact CB-CE2 4.42Å; N227-Y231 WeakPolarHBondContact O-CD2 3.08Å
228	K	77.5	Confident	77	Confident	104 Å²	104	92.6 Å²	92.6	45%	0.452	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-35.4	-178.4	-68.6	-174.6	176.1	-167.8	0	113.2	Y224 K230 Y231 E232 E239	Y224-K228 VanDerWaalsContact O-CG 3.23Å; Y224-K228 WeakPolarHBondContact O-CG 3.41Å; K228-K230 PolarHBondContact O-N 3.39Å; K228-Y231 CarbonylContact O-C 3.45Å; K228-Y231 PolarHBondContact O-N 3.28Å; K228-Y231 VanDerWaalsContact O-N 3.15Å; K228-E232 PolarHBondContact O-N 3.22Å; K228-E239 WeakPolarHBondContact CE-OE1 3.45Å; K228-E239 IonicContact NZ-OE1 3.76Å; K228-E239 PolarHBondContact NZ-OE1 3Å
229	E	74.1	Confident	76.9	Confident	174 Å²	174	88.8 Å²	88.8	81%	0.813	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-60.9	-41.4	-179.8	-64.7	-179.3	180	0	0	112.2	N227 Y231	N227-E229 VanDerWaalsContact C-N 3.26Å; N227-E229 PolarHBondContact O-N 2.53Å; E229-Y231 PolarHBondContact O-N 2.98Å
230	K	78.2	Confident	76.9	Confident	130 Å²	130	81.6 Å²	81.6	57%	0.565	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-65.3	-24.9	178.1	-175.2	175.7	179.5	-178.2	0	113.4	N227 K228	N227-K230 PolarHBondContact O-N 2.86Å; N227-K230 WeakPolarHBondContact OD1-CB 3.44Å; N227-K230 PolarHBondContact OD1-N 3.23Å; K228-K230 PolarHBondContact O-N 3.39Å
231	Y	75.3	Confident	77	Confident	26 Å²	26	84.1 Å²	84.1	10%	0.102	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-115.4	21.5	-172.4	-58	-69.2	0	0	0	112.8	Y222 Y224 N227 K228 E229 N233 D234 K263	Y222-Y231 PolarHBondContact O-OH 3.48Å; Y222-Y231 VanDerWaalsContact O-OH 3.06Å; Y224-Y231 HydrophobicContact CD2-CD2 4.21Å; Y224-Y231 HydrophobicContact CD2-CG 4.14Å; N227-Y231 HydrophobicContact CB-CE2 4.42Å; N227-Y231 WeakPolarHBondContact O-CD2 3.08Å; K228-Y231 CarbonylContact O-C 3.45Å; K228-Y231 PolarHBondContact O-N 3.28Å; K228-Y231 VanDerWaalsContact O-N 3.15Å; E229-Y231 PolarHBondContact O-N 2.98Å; Y231-N233 VanDerWaalsContact C-N 3.29Å; Y231-N233 PolarHBondContact O-N 3.4Å; Y231-D234 WeakPolarHBondContact CD1-OD2 3.38Å; Y231-D234 PolarHBondContact O-N 3.03Å; Y231-K263 HydrophobicContact CD1-CD 4.46Å; Y231-K263 HydrophobicContact CE1-CB 4.19Å; Y231-K263 HydrophobicContact CE1-CD 4.37Å; Y231-K263 HydrophobicContact CE1-CG 4.35Å; Y231-K263 HydrophobicContact CE2-CB 4.48Å
232	E	70.4	Confident	77.6	Confident	131 Å²	131	84.4 Å²	84.4	61%	0.612	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-36.6	-178.7	-170.3	174.3	-177.1	0	0	112.6	K228 K237	K228-E232 PolarHBondContact O-N 3.22Å; E232-K237 WeakPolarHBondContact O-CE 3.36Å; E232-K237 PolarHBondContact O-NZ 3.15Å
233	N	75.7	Confident	78.2	Confident	158 Å²	158	85.2 Å²	85.2	85%	0.845	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	0.8	-179.8	-64.6	-32.8	0	0	0	114	Y231	Y231-N233 VanDerWaalsContact C-N 3.29Å; Y231-N233 PolarHBondContact O-N 3.4Å
234	D	76.4	Confident	78.7	Confident	52 Å²	52	87.9 Å²	87.9	28%	0.278	42%	0.424	S	S	.	.			trans	-76.1	132.2	-179.3	-116.7	-5.7	0	0	0	109.8	Y231 E236 K237 K263	Y231-D234 WeakPolarHBondContact CD1-OD2 3.38Å; Y231-D234 PolarHBondContact O-N 3.03Å; D234-E236 PolarHBondContact O-N 2.8Å; D234-K237 WeakPolarHBondContact O-CE 3.36Å; D234-K237 WeakPolarHBondContact O-CG 3.15Å; D234-K263 IonicContact OD1-NZ 3.42Å; D234-K263 VanDerWaalsContact OD2-CE 3.29Å; D234-K263 WeakPolarHBondContact OD2-CE 3.48Å; D234-K263 IonicContact OD2-NZ 3.42Å; D234-K263 PolarHBondContact OD2-NZ 3.25Å
235	P	73.5	Confident	79.4	Confident	122 Å²	122	86.5 Å²	86.5	79%	0.792	42%	0.419	S	S	*	.	S	Bend	trans	-68.1	-23.3	-178.5	26.4	-33.8	0	0	0	112.6
236	E	74.1	Confident	80.2	Confident	99 Å²	99	84.3 Å²	84.3	46%	0.463	41%	0.409	S	S	.	.			trans	-109.8	90.2	-175.3	-66.5	-177.5	175.6	0	0	111.4	D234 R238 A260 K263	D234-E236 PolarHBondContact O-N 2.8Å; E236-R238 PolarHBondContact O-N 3.43Å; E236-A260 HydrophobicContact CB-CB 3.91Å; E236-A260 HydrophobicContact CG-CB 4.21Å; E236-A260 WeakPolarHBondContact OE2-CB 3.36Å; E236-K263 WeakPolarHBondContact O-CE 3.2Å
237	K	74.3	Confident	80.8	Confident	113 Å²	113	87.2 Å²	87.2	49%	0.491	41%	0.414	S	S	.	.			trans	-97.9	68.7	-177.9	-64.9	178.6	-179.5	-178.8	0	111.5	Y224 E232 D234	Y224-K237 HydrophobicContact CE1-CB 4.21Å; Y224-K237 HydrophobicContact CE2-CB 4.06Å; Y224-K237 HydrophobicContact CE2-CG 3.87Å; Y224-K237 WeakPolarHBondContact OH-CB 3.31Å; E232-K237 WeakPolarHBondContact O-CE 3.36Å; E232-K237 PolarHBondContact O-NZ 3.15Å; D234-K237 WeakPolarHBondContact O-CE 3.36Å; D234-K237 WeakPolarHBondContact O-CG 3.15Å
238	R	77.7	Confident	81.4	Confident	42 Å²	42	84.9 Å²	84.9	16%	0.158	40%	0.402	C	S	.	.			trans	-100.2	123.2	179.7	-164.4	172.6	-171.2	-175.7	-1.6	111.5	E236 E244 G258 A260	E236-R238 PolarHBondContact O-N 3.43Å; R238-E244 IonicContact CZ-OE2 2.69Å; R238-E244 IonicContact NE-OE2 3.9Å; R238-E244 PolarHBondContact NE-OE2 2.9Å; R238-E244 PolarHBondContact NH2-O 2.86Å; R238-E244 IonicContact NH2-OE2 2.71Å; R238-E244 PolarHBondContact NH2-OE2 3.11Å; R238-G258 PolarHBondContact NH1-O 3.43Å; R238-A260 HydrophobicContact CB-CB 4.14Å
239	E	82.7	Confident	82	Confident	66 Å²	66	79.9 Å²	79.9	31%	0.308	38%	0.38	S	S	.	.			trans	-92.7	122.1	170	-69.3	-177.1	-176.3	0	0	109.6	Y224 K228 T241	Y224-E239 HydrophobicContact CD1-CG 3.61Å; Y224-E239 HydrophobicContact CE1-CG 3.76Å; K228-E239 WeakPolarHBondContact CE-OE1 3.45Å; K228-E239 IonicContact NZ-OE1 3.76Å; K228-E239 PolarHBondContact NZ-OE1 3Å; E239-T241 VanDerWaalsContact C-N 3.29Å; E239-T241 PolarHBondContact O-N 2.91Å
240	F	83.3	Confident	82.7	Confident	8 Å²	8	76.1 Å²	76.1	4%	0.035	36%	0.364	C	S	.	.			trans	-84.7	74.9	-179.6	-71.4	-92.3	0	0	0	110.6	I213 D217 F248 A260 P262	I213-F240 HydrophobicContact CG2-CB 4.28Å; I213-F240 HydrophobicContact CG2-CD1 3.73Å; I213-F240 HydrophobicContact CG2-CE1 4.31Å; I213-F240 HydrophobicContact CG2-CG 4.1Å; D217-F240 HydrophobicContact CB-CB 3.88Å; D217-F240 WeakPolarHBondContact OD2-CB 3.37Å; D217-F240 PolarHBondContact OD2-N 3.13Å; F240-F248 HydrophobicContact CE1-CB 3.89Å; F240-F248 HydrophobicContact CE1-CD1 4.39Å; F240-F248 AromaticContact CE1-CD2 3.93Å; F240-F248 HydrophobicContact CE1-CD2 3.93Å; F240-F248 AromaticContact CE1-CG 3.8Å; F240-F248 HydrophobicContact CE1-CG 3.8Å; F240-F248 HydrophobicContact CZ-CD2 4.3Å; F240-A260 WeakPolarHBondContact CZ-O 3.18Å; F240-P262 HydrophobicContact CD2-CB 4.29Å; F240-P262 VanDerWaalsContact CE2-CA 3.48Å; F240-P262 HydrophobicContact CE2-CB 3.9Å; F240-P262 HydrophobicContact CZ-CB 4.23Å; F240-P262 VanDerWaalsContact CZ-CD 3.47Å; F240-P262 HydrophobicContact CZ-CG 4.43Å
241	T	86.6	Confident	83.2	Confident	68 Å²	68	71.8 Å²	71.8	42%	0.417	35%	0.347	S	S	.	.			trans	-64.1	160.2	161	68	0	0	0	0	110	E239 K243 E244 S245	E239-T241 VanDerWaalsContact C-N 3.29Å; E239-T241 PolarHBondContact O-N 2.91Å; T241-K243 PolarHBondContact O-N 3.17Å; T241-K243 VanDerWaalsContact O-N 3.14Å; T241-E244 CarbonylContact O-C 3.18Å; T241-E244 WeakPolarHBondContact O-CA 3.5Å; T241-E244 PolarHBondContact O-N 3.14Å; T241-E244 WeakPolarHBondContact OG1-CG 3.47Å; T241-E244 PolarHBondContact OG1-N 3.5Å; T241-S245 PolarHBondContact O-N 3.14Å; T241-S245 PolarHBondContact O-OG 3.35Å
242	F	88.4	Confident	83.8	Confident	87 Å²	87	71.2 Å²	71.2	38%	0.382	35%	0.347	S	S	.	.	H	α-helix	trans	-54.3	-38.2	180	-177.4	-107.5	0	0	0	113	F211 W214 S245 L246	F211-F242 HydrophobicContact CB-CE2 4.38Å; F211-F242 HydrophobicContact CD2-CE2 4.33Å; W214-F242 HydrophobicContact CB-CD2 4.28Å; W214-F242 HydrophobicContact CD2-CB 4.27Å; W214-F242 HydrophobicContact CD2-CD2 4.35Å; W214-F242 HydrophobicContact CE3-CD2 4.44Å; W214-F242 HydrophobicContact CG-CB 4.08Å; W214-F242 HydrophobicContact CG-CD2 4.29Å; F242-S245 PolarHBondContact O-N 3.38Å; F242-L246 HydrophobicContact CD1-CD1 3.96Å; F242-L246 HydrophobicContact CE1-CD1 3.57Å; F242-L246 HydrophobicContact CE1-CG 4.32Å; F242-L246 HydrophobicContact CZ-CD1 4.03Å; F242-L246 HydrophobicContact CZ-CG 4.35Å; F242-L246 WeakPolarHBondContact O-CG 3.32Å; F242-L246 PolarHBondContact O-N 3.39Å
243	K	90.8	Very high	84.5	Confident	159 Å²	159	67.1 Å²	67.1	69%	0.691	33%	0.329	S	S	*	.	H	α-helix	trans	-62.8	-44.8	173.4	-178.7	-171.2	172.4	-169.9	0	111.8	T241 S245 L246 W247	T241-K243 PolarHBondContact O-N 3.17Å; T241-K243 VanDerWaalsContact O-N 3.14Å; K243-S245 VanDerWaalsContact C-N 3.34Å; K243-L246 PolarHBondContact O-N 2.61Å; K243-W247 PolarHBondContact O-N 2.62Å
244	E	89.2	Confident	84.8	Confident	56 Å²	56	62.6 Å²	62.6	26%	0.262	31%	0.307	S	S	.	.	H	α-helix	trans	-68.3	-34.2	178.8	-72.2	-56.1	134.3	0	0	112.4	R238 T241 W247 F248	R238-E244 IonicContact CZ-OE2 2.69Å; R238-E244 IonicContact NE-OE2 3.9Å; R238-E244 PolarHBondContact NE-OE2 2.9Å; R238-E244 PolarHBondContact NH2-O 2.86Å; R238-E244 IonicContact NH2-OE2 2.71Å; R238-E244 PolarHBondContact NH2-OE2 3.11Å; T241-E244 CarbonylContact O-C 3.18Å; T241-E244 WeakPolarHBondContact O-CA 3.5Å; T241-E244 PolarHBondContact O-N 3.14Å; T241-E244 WeakPolarHBondContact OG1-CG 3.47Å; T241-E244 PolarHBondContact OG1-N 3.5Å; E244-W247 PolarHBondContact O-N 2.99Å; E244-F248 WeakPolarHBondContact O-CB 3.39Å; E244-F248 PolarHBondContact O-N 3.25Å
245	S	89.6	Confident	84.9	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-63.9	-44.1	172.7	-57.9	0	0	0	0	111.6	S210 T241 F242 K243 W247 F248 C249	S210-S245 VanDerWaalsContact O-CB 3.25Å; S210-S245 WeakPolarHBondContact O-CB 3.31Å; T241-S245 PolarHBondContact O-N 3.14Å; T241-S245 PolarHBondContact O-OG 3.35Å; F242-S245 PolarHBondContact O-N 3.38Å; K243-S245 VanDerWaalsContact C-N 3.34Å; S245-W247 VanDerWaalsContact C-N 3.33Å; S245-W247 PolarHBondContact O-N 3.36Å; S245-F248 PolarHBondContact O-N 3.33Å; S245-C249 PolarHBondContact O-N 3.29Å; S245-C249 PolarHBondContact O-SG 3.16Å
246	L	91.9	Very high	85.1	Confident	43 Å²	43	69 Å²	69	23%	0.225	34%	0.336	C	S	.	.	H	α-helix	trans	-60.4	-43.5	173.3	-73.4	167.4	0	0	0	111.4	F206 L207 F242 K243 C249 M250	F206-L246 HydrophobicContact CD1-CD2 4.5Å; F206-L246 HydrophobicContact CE1-CD2 3.61Å; F206-L246 HydrophobicContact CZ-CB 4.41Å; F206-L246 HydrophobicContact CZ-CD2 3.72Å; L207-L246 HydrophobicContact CD2-CD2 3.91Å; F242-L246 HydrophobicContact CD1-CD1 3.96Å; F242-L246 HydrophobicContact CE1-CD1 3.57Å; F242-L246 HydrophobicContact CE1-CG 4.32Å; F242-L246 HydrophobicContact CZ-CD1 4.03Å; F242-L246 HydrophobicContact CZ-CG 4.35Å; F242-L246 WeakPolarHBondContact O-CG 3.32Å; F242-L246 PolarHBondContact O-N 3.39Å; K243-L246 PolarHBondContact O-N 2.61Å; L246-C249 PolarHBondContact O-N 3.4Å; L246-M250 WeakPolarHBondContact O-CB 3.43Å; L246-M250 PolarHBondContact O-N 2.94Å
247	W	89.2	Confident	85.2	Confident	144 Å²	144	65.9 Å²	65.9	55%	0.545	33%	0.33	S	S	.	.	H	α-helix	trans	-64.7	-41.7	178	-169.6	-121.5	0	0	0	112.3	K243 E244 S245 M250 N251	K243-W247 PolarHBondContact O-N 2.62Å; E244-W247 PolarHBondContact O-N 2.99Å; S245-W247 VanDerWaalsContact C-N 3.33Å; S245-W247 PolarHBondContact O-N 3.36Å; W247-M250 PolarHBondContact O-N 3.26Å; W247-N251 PolarHBondContact NE1-ND2 3.21Å; W247-N251 VanDerWaalsContact NE1-ND2 3.13Å; W247-N251 WeakPolarHBondContact O-CB 3.29Å; W247-N251 PolarHBondContact O-N 3.29Å; W247-N251 PolarHBondContact O-ND2 3.46Å
248	F	90.2	Very high	85.2	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-61.9	-47.8	175.1	174.5	-93.5	0	0	0	112.1	I213 F240 E244 S245 M250 S252 G258 V261 A271 W275	I213-F248 HydrophobicContact CD1-CD1 3.79Å; I213-F248 HydrophobicContact CD1-CE1 3.93Å; F240-F248 HydrophobicContact CE1-CB 3.89Å; F240-F248 HydrophobicContact CE1-CD1 4.39Å; F240-F248 AromaticContact CE1-CD2 3.93Å; F240-F248 HydrophobicContact CE1-CD2 3.93Å; F240-F248 AromaticContact CE1-CG 3.8Å; F240-F248 HydrophobicContact CE1-CG 3.8Å; F240-F248 HydrophobicContact CZ-CD2 4.3Å; E244-F248 WeakPolarHBondContact O-CB 3.39Å; E244-F248 PolarHBondContact O-N 3.25Å; S245-F248 PolarHBondContact O-N 3.33Å; F248-M250 VanDerWaalsContact C-N 3.31Å; F248-M250 PolarHBondContact O-N 3.4Å; F248-S252 VanDerWaalsContact O-CB 3.29Å; F248-S252 WeakPolarHBondContact O-CB 3.18Å; F248-S252 PolarHBondContact O-N 3.32Å; F248-S252 PolarHBondContact O-OG 3.01Å; F248-G258 VanDerWaalsContact CD2-O 3.27Å; F248-G258 WeakPolarHBondContact CD2-O 3.2Å; F248-V261 HydrophobicContact CE2-CG2 4.43Å; F248-A271 HydrophobicContact CE1-CB 4.05Å; F248-A271 HydrophobicContact CZ-CB 3.94Å; F248-W275 HydrophobicContact CZ-CZ2 4.46Å
249	C	90.2	Very high	85.3	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-63.4	-38.4	178.7	-73.3	0	0	0	0	111.8	F206 S210 S245 L246 S252 L253 W274	F206-C249 HydrophobicContact CD2-CB 3.77Å; F206-C249 HydrophobicContact CE2-CB 3.53Å; S210-C249 WeakPolarHBondContact OG-CB 3.47Å; S210-C249 PolarHBondContact OG-SG 3.39Å; S245-C249 PolarHBondContact O-N 3.29Å; S245-C249 PolarHBondContact O-SG 3.16Å; L246-C249 PolarHBondContact O-N 3.4Å; C249-S252 PolarHBondContact O-N 3.01Å; C249-L253 PolarHBondContact O-N 3.23Å; C249-W274 HydrophobicContact CB-CZ2 4.32Å; C249-W274 PolarHBondContact O-NE1 3.47Å; C249-W274 VanDerWaalsContact O-NE1 3.12Å
250	M	89.2	Confident	85.3	Confident	94 Å²	94	59 Å²	59	46%	0.463	32%	0.321	S	S	.	.	H	α-helix	trans	-67	-49.3	179.4	-176.9	64.6	77.1	0	0	111	F206 L246 W247 F248 S252 L253	F206-M250 HydrophobicContact CE2-CB 4.12Å; F206-M250 HydrophobicContact CE2-CE 4.39Å; F206-M250 HydrophobicContact CZ-CB 4.4Å; F206-M250 HydrophobicContact CZ-CE 4.05Å; L246-M250 WeakPolarHBondContact O-CB 3.43Å; L246-M250 PolarHBondContact O-N 2.94Å; W247-M250 PolarHBondContact O-N 3.26Å; F248-M250 VanDerWaalsContact C-N 3.31Å; F248-M250 PolarHBondContact O-N 3.4Å; M250-S252 VanDerWaalsContact C-N 3.26Å; M250-S252 PolarHBondContact O-N 3.21Å; M250-L253 PolarHBondContact O-N 3.28Å; M250-L253 VanDerWaalsContact O-N 3.16Å
251	N	87.9	Confident	85.5	Confident	40 Å²	40	60.6 Å²	60.6	21%	0.214	33%	0.331	C	S	.	.	H	α-helix	trans	-65	-33	179.2	-70.3	-16.6	0	0	0	112	W247 L253 T254 G257	W247-N251 PolarHBondContact NE1-ND2 3.21Å; W247-N251 VanDerWaalsContact NE1-ND2 3.13Å; W247-N251 WeakPolarHBondContact O-CB 3.29Å; W247-N251 PolarHBondContact O-N 3.29Å; W247-N251 PolarHBondContact O-ND2 3.46Å; N251-L253 VanDerWaalsContact C-N 3.26Å; N251-L253 PolarHBondContact O-N 2.98Å; N251-T254 PolarHBondContact O-N 3.45Å; N251-T254 VanDerWaalsContact O-N 3.08Å; N251-T254 PolarHBondContact O-OG1 2.91Å; N251-G257 CarbonylContact C-O 3.59Å; N251-G257 WeakPolarHBondContact CB-O 3.5Å; N251-G257 CarbonylContact O-C 3.31Å
252	S	88.4	Confident	85.4	Confident	14 Å²	14	57.4 Å²	57.4	10%	0.098	31%	0.312	C	S	.	.	H	α-helix	trans	-65.9	-22.8	176.4	-64.6	0	0	0	0	114.3	F248 C249 M250 T254 G258 W275	F248-S252 VanDerWaalsContact O-CB 3.29Å; F248-S252 WeakPolarHBondContact O-CB 3.18Å; F248-S252 PolarHBondContact O-N 3.32Å; F248-S252 PolarHBondContact O-OG 3.01Å; C249-S252 PolarHBondContact O-N 3.01Å; M250-S252 VanDerWaalsContact C-N 3.26Å; M250-S252 PolarHBondContact O-N 3.21Å; S252-T254 VanDerWaalsContact C-N 3.31Å; S252-G258 VanDerWaalsContact OG-CA 3.29Å; S252-G258 WeakPolarHBondContact OG-CA 3.35Å; S252-W275 PolarHBondContact OG-NE1 2.93Å
253	L	84.3	Confident	85.1	Confident	45 Å²	45	55 Å²	55	24%	0.236	30%	0.301	C	S	.	.	H	α-helix	trans	-76.3	-22.3	173.4	-72.8	170	0	0	0	111.8	F206 C249 M250 N251 W274 I282	F206-L253 HydrophobicContact CD2-CD1 4.48Å; C249-L253 PolarHBondContact O-N 3.23Å; M250-L253 PolarHBondContact O-N 3.28Å; M250-L253 VanDerWaalsContact O-N 3.16Å; N251-L253 VanDerWaalsContact C-N 3.26Å; N251-L253 PolarHBondContact O-N 2.98Å; L253-W274 HydrophobicContact CD1-CZ2 3.92Å; L253-W274 HydrophobicContact CD2-CH2 4.44Å; L253-W274 HydrophobicContact CD2-CZ2 3.81Å; L253-W274 HydrophobicContact CG-CZ2 3.81Å; L253-I282 WeakPolarHBondContact O-CD1 3.42Å
254	T	83.1	Confident	84.9	Confident	62 Å²	62	47.5 Å²	47.5	38%	0.38	27%	0.268	S	S	.	.	S	Bend	trans	-84.6	150.2	173.5	70.8	0	0	0	0	110	N251 S252 Q256 G257	N251-T254 PolarHBondContact O-N 3.45Å; N251-T254 VanDerWaalsContact O-N 3.08Å; N251-T254 PolarHBondContact O-OG1 2.91Å; S252-T254 VanDerWaalsContact C-N 3.31Å; T254-Q256 PolarHBondContact O-N 2.78Å; T254-G257 PolarHBondContact O-N 2.89Å; T254-G257 VanDerWaalsContact O-N 3.16Å
255	P	77.8	Confident	84.8	Confident	133 Å²	133	51.2 Å²	51.2	86%	0.864	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-10.2	175	-25.5	34.3	0	0	0	114.9	G257	P255-G257 VanDerWaalsContact C-N 3.3Å
256	Q	78.6	Confident	84.8	Confident	176 Å²	176	53.3 Å²	53.3	82%	0.822	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-13.4	-180	-56.4	-61.6	-11.1	0	0	113.4	T254	T254-Q256 PolarHBondContact O-N 2.78Å
257	G	76.2	Confident	84.7	Confident	33 Å²	33	51.2 Å²	51.2	34%	0.34	29%	0.291	S	S	.	.			trans	79.9	163.8	179.3	0	0	0	0	0	114.2	N251 T254 P255 G259	N251-G257 CarbonylContact C-O 3.59Å; N251-G257 WeakPolarHBondContact CB-O 3.5Å; N251-G257 CarbonylContact O-C 3.31Å; T254-G257 PolarHBondContact O-N 2.89Å; T254-G257 VanDerWaalsContact O-N 3.16Å; P255-G257 VanDerWaalsContact C-N 3.3Å; G257-G259 PolarHBondContact O-N 2.85Å
258	G	73.1	Confident	84.7	Confident	3 Å²	3	50.2 Å²	50.2	3%	0.031	29%	0.287	C	S	.	.			trans	-80.5	-4.7	-170.4	0	0	0	0	0	116.8	R238 F248 S252	R238-G258 PolarHBondContact NH1-O 3.43Å; F248-G258 VanDerWaalsContact CD2-O 3.27Å; F248-G258 WeakPolarHBondContact CD2-O 3.2Å; S252-G258 VanDerWaalsContact OG-CA 3.29Å; S252-G258 WeakPolarHBondContact OG-CA 3.35Å
259	G	81.7	Confident	84.8	Confident	56 Å²	56	55 Å²	55	58%	0.577	31%	0.311	S	S	*	.	S	Bend	trans	77.4	-151.9	-165.3	0	0	0	0	0	112.3	G257 V261	G257-G259 PolarHBondContact O-N 2.85Å; G259-V261 PolarHBondContact O-N 2.91Å
260	A	82.4	Confident	85	Confident	19 Å²	19	56 Å²	56	16%	0.157	32%	0.317	C	S	.	.	S	Bend	trans	-56.6	130.9	-178.1	0	0	0	0	0	112.1	E236 R238 F240	E236-A260 HydrophobicContact CB-CB 3.91Å; E236-A260 HydrophobicContact CG-CB 4.21Å; E236-A260 WeakPolarHBondContact OE2-CB 3.36Å; R238-A260 HydrophobicContact CB-CB 4.14Å; F240-A260 WeakPolarHBondContact CZ-O 3.18Å
261	V	86.1	Confident	85	Confident	41 Å²	41	51.6 Å²	51.6	25%	0.248	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-88.5	148.8	-176.3	-179.7	0	0	0	0	110.3	F248 G259 K263 R268 A271 W275	F248-V261 HydrophobicContact CE2-CG2 4.43Å; G259-V261 PolarHBondContact O-N 2.91Å; V261-K263 PolarHBondContact O-N 3.31Å; V261-R268 HydrophobicContact CG1-CG 3.98Å; V261-A271 HydrophobicContact CG1-CB 4.19Å; V261-W275 HydrophobicContact CG2-CH2 3.79Å; V261-W275 HydrophobicContact CG2-CZ2 3.94Å
262	P	84.8	Confident	85.2	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.006	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-51.9	139.6	172.5	21.1	-35.2	0	0	0	113.2	F240 N264 G267 R268	F240-P262 HydrophobicContact CD2-CB 4.29Å; F240-P262 VanDerWaalsContact CE2-CA 3.48Å; F240-P262 HydrophobicContact CE2-CB 3.9Å; F240-P262 HydrophobicContact CZ-CB 4.23Å; F240-P262 VanDerWaalsContact CZ-CD 3.47Å; F240-P262 HydrophobicContact CZ-CG 4.43Å; P262-N264 WeakPolarHBondContact CB-OD1 3.24Å; P262-G267 VanDerWaalsContact CG-C 3.46Å; P262-G267 WeakPolarHBondContact CG-O 3.42Å; P262-R268 WeakPolarHBondContact O-CG 3.49Å; P262-R268 PolarHBondContact O-NE 3.32Å
263	K	83.2	Confident	85.3	Confident	36 Å²	36	55.8 Å²	55.8	16%	0.157	33%	0.327	C	S	.	.	S	Bend	trans	-78.6	-28.3	-174.1	-63.1	-68.4	177.9	170.4	0	113.1	Y231 D234 E236 V261	Y231-K263 HydrophobicContact CD1-CD 4.46Å; Y231-K263 HydrophobicContact CE1-CB 4.19Å; Y231-K263 HydrophobicContact CE1-CD 4.37Å; Y231-K263 HydrophobicContact CE1-CG 4.35Å; Y231-K263 HydrophobicContact CE2-CB 4.48Å; D234-K263 IonicContact OD1-NZ 3.42Å; D234-K263 VanDerWaalsContact OD2-CE 3.29Å; D234-K263 WeakPolarHBondContact OD2-CE 3.48Å; D234-K263 IonicContact OD2-NZ 3.42Å; D234-K263 PolarHBondContact OD2-NZ 3.25Å; E236-K263 WeakPolarHBondContact O-CE 3.2Å; V261-K263 PolarHBondContact O-N 3.31Å
264	N	85.6	Confident	85.7	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.005	32%	0.317	C	S	.	.	S	Bend	trans	-69.2	142	176.9	58.7	-2	0	0	0	111.4	F216 S220 P262 S266 G267 R268	F216-N264 PolarHBondContact O-ND2 2.66Å; S220-N264 WeakPolarHBondContact CB-ND2 3.44Å; S220-N264 WeakPolarHBondContact OG-CB 3.39Å; P262-N264 WeakPolarHBondContact CB-OD1 3.24Å; N264-S266 VanDerWaalsContact C-N 3.27Å; N264-S266 PolarHBondContact O-N 2.94Å; N264-G267 PolarHBondContact O-N 2.68Å; N264-G267 WeakPolarHBondContact OD1-CA 3.42Å; N264-G267 PolarHBondContact OD1-N 3.08Å; N264-G267 VanDerWaalsContact OD1-N 3.14Å; N264-R268 WeakPolarHBondContact O-CG 3.46Å; N264-R268 PolarHBondContact O-N 3.05Å; N264-R268 VanDerWaalsContact O-N 3.07Å
265	M	87.5	Confident	86	Confident	134 Å²	134	56.1 Å²	56.1	66%	0.66	32%	0.319	S	S	*	.	H	α-helix	trans	-59.1	-40.1	178.9	-177.1	61.8	78.7	0	0	111.9	G267 R268 I269	M265-G267 PolarHBondContact O-N 3.04Å; M265-R268 WeakPolarHBondContact O-CB 3.13Å; M265-R268 PolarHBondContact O-N 2.81Å; M265-I269 HydrophobicContact CG-CD1 4.34Å; M265-I269 WeakPolarHBondContact O-CG1 3.37Å; M265-I269 PolarHBondContact O-N 3.15Å; M265-I269 VanDerWaalsContact O-N 3.08Å
266	S	90	Very high	86.7	Confident	44 Å²	44	54.9 Å²	54.9	31%	0.308	30%	0.304	S	S	.	.	H	α-helix	trans	-63	-40.6	178.8	53	0	0	0	0	112.8	N264 I269 I270	N264-S266 VanDerWaalsContact C-N 3.27Å; N264-S266 PolarHBondContact O-N 2.94Å; S266-I269 PolarHBondContact O-N 3.07Å; S266-I270 PolarHBondContact O-N 3.38Å
267	G	88.6	Confident	87.3	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-69.7	-34.5	175.4	0	0	0	0	0	112.8	P262 N264 M265 I269 I270 A271	P262-G267 VanDerWaalsContact CG-C 3.46Å; P262-G267 WeakPolarHBondContact CG-O 3.42Å; N264-G267 PolarHBondContact O-N 2.68Å; N264-G267 WeakPolarHBondContact OD1-CA 3.42Å; N264-G267 PolarHBondContact OD1-N 3.08Å; N264-G267 VanDerWaalsContact OD1-N 3.14Å; M265-G267 PolarHBondContact O-N 3.04Å; G267-I269 VanDerWaalsContact C-N 3.33Å; G267-I269 PolarHBondContact O-N 3.14Å; G267-I270 PolarHBondContact O-N 3.19Å; G267-A271 WeakPolarHBondContact O-CB 3.34Å; G267-A271 PolarHBondContact O-N 3.24Å
268	R	90.5	Very high	88	Confident	122 Å²	122	48.3 Å²	48.3	46%	0.46	27%	0.265	S	S	.	.	H	α-helix	trans	-62.1	-40	173.2	-69.3	-178.4	-179.8	-167.5	-0.6	112.3	V261 P262 N264 M265 A271 A272	V261-R268 HydrophobicContact CG1-CG 3.98Å; P262-R268 WeakPolarHBondContact O-CG 3.49Å; P262-R268 PolarHBondContact O-NE 3.32Å; N264-R268 WeakPolarHBondContact O-CG 3.46Å; N264-R268 PolarHBondContact O-N 3.05Å; N264-R268 VanDerWaalsContact O-N 3.07Å; M265-R268 WeakPolarHBondContact O-CB 3.13Å; M265-R268 PolarHBondContact O-N 2.81Å; R268-A271 PolarHBondContact O-N 3.46Å; R268-A272 WeakPolarHBondContact O-CB 3.38Å; R268-A272 PolarHBondContact O-N 3Å
269	I	92.6	Very high	88.8	Confident	100 Å²	100	55.4 Å²	55.4	51%	0.513	30%	0.295	S	S	.	.	H	α-helix	trans	-63.4	-45.9	175.9	-66.1	167.7	0	0	0	110	M265 S266 G267 A271 A272 T273	M265-I269 HydrophobicContact CG-CD1 4.34Å; M265-I269 WeakPolarHBondContact O-CG1 3.37Å; M265-I269 PolarHBondContact O-N 3.15Å; M265-I269 VanDerWaalsContact O-N 3.08Å; S266-I269 PolarHBondContact O-N 3.07Å; G267-I269 VanDerWaalsContact C-N 3.33Å; G267-I269 PolarHBondContact O-N 3.14Å; I269-A271 VanDerWaalsContact C-N 3.33Å; I269-A271 PolarHBondContact O-N 2.86Å; I269-A272 PolarHBondContact O-N 3.1Å; I269-T273 PolarHBondContact O-N 2.97Å; I269-T273 PolarHBondContact O-OG1 3.46Å; I269-T273 VanDerWaalsContact O-OG1 3.06Å
270	I	92.5	Very high	89.3	Confident	22 Å²	22	57.2 Å²	57.2	11%	0.113	29%	0.29	C	S	.	.	H	α-helix	trans	-58.7	-45.7	175.5	-66.7	168.6	0	0	0	111	L212 I213 F216 S266 G267 A272 T273 W274	L212-I270 HydrophobicContact CB-CD1 4Å; I213-I270 HydrophobicContact CD1-CG2 4.25Å; I213-I270 HydrophobicContact CG1-CB 4.48Å; I213-I270 HydrophobicContact CG1-CG2 3.75Å; F216-I270 HydrophobicContact CD1-CD1 4.45Å; F216-I270 HydrophobicContact CD2-CD1 3.23Å; F216-I270 HydrophobicContact CD2-CG1 4.32Å; F216-I270 HydrophobicContact CE2-CD1 3.36Å; F216-I270 HydrophobicContact CE2-CG1 4.22Å; F216-I270 HydrophobicContact CG-CD1 3.84Å; F216-I270 HydrophobicContact CZ-CD1 4.06Å; S266-I270 PolarHBondContact O-N 3.38Å; G267-I270 PolarHBondContact O-N 3.19Å; I270-A272 PolarHBondContact O-N 2.9Å; I270-T273 PolarHBondContact O-N 3.4Å; I270-W274 WeakPolarHBondContact O-CB 3.48Å; I270-W274 PolarHBondContact O-N 3.48Å
271	A	90.2	Very high	89.8	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.008	29%	0.294	C	S	.	.	H	α-helix	trans	-61.3	-43	178.3	0	0	0	0	0	111.9	F248 V261 G267 R268 I269 W274 W275	F248-A271 HydrophobicContact CE1-CB 4.05Å; F248-A271 HydrophobicContact CZ-CB 3.94Å; V261-A271 HydrophobicContact CG1-CB 4.19Å; G267-A271 WeakPolarHBondContact O-CB 3.34Å; G267-A271 PolarHBondContact O-N 3.24Å; R268-A271 PolarHBondContact O-N 3.46Å; I269-A271 VanDerWaalsContact C-N 3.33Å; I269-A271 PolarHBondContact O-N 2.86Å; A271-W274 WeakPolarHBondContact O-CB 3.48Å; A271-W274 PolarHBondContact O-N 2.87Å; A271-W275 VanDerWaalsContact O-CG 3.28Å; A271-W275 PolarHBondContact O-N 2.9Å
272	A	91	Very high	90	Very high	53 Å²	53	60 Å²	60	44%	0.438	30%	0.3	S	S	.	.	H	α-helix	trans	-63.8	-42.4	176.3	0	0	0	0	0	112.2	R268 I269 I270 W274 W275 L276	R268-A272 WeakPolarHBondContact O-CB 3.38Å; R268-A272 PolarHBondContact O-N 3Å; I269-A272 PolarHBondContact O-N 3.1Å; I270-A272 PolarHBondContact O-N 2.9Å; A272-W274 VanDerWaalsContact C-N 3.33Å; A272-W275 PolarHBondContact O-N 2.92Å; A272-L276 PolarHBondContact O-N 3.33Å
273	T	92.6	Very high	90.4	Very high	89 Å²	89	62 Å²	62	55%	0.546	32%	0.316	S	S	.	.	H	α-helix	trans	-63.9	-39.3	174.1	-55.1	0	0	0	0	111.5	I269 I270 L276 F277	I269-T273 PolarHBondContact O-N 2.97Å; I269-T273 PolarHBondContact O-OG1 3.46Å; I269-T273 VanDerWaalsContact O-OG1 3.06Å; I270-T273 PolarHBondContact O-N 3.4Å; T273-L276 PolarHBondContact O-N 3.35Å; T273-F277 WeakPolarHBondContact O-CB 3.11Å; T273-F277 PolarHBondContact O-N 3.49Å
274	W	92.1	Very high	90.8	Very high	4 Å²	4	62.7 Å²	62.7	2%	0.015	33%	0.326	C	S	.	.	H	α-helix	trans	-64.5	-42.2	176.2	-178.4	-112.5	0	0	0	112.2	F206 T209 C249 L253 I270 A271 A272 F277 G278	F206-W274 VanDerWaalsContact CA-CH2 3.41Å; F206-W274 HydrophobicContact CB-CH2 3.8Å; F206-W274 HydrophobicContact CB-CZ2 4.32Å; F206-W274 HydrophobicContact CD2-CH2 4.3Å; F206-W274 AromaticContact CD2-CZ2 3.97Å; F206-W274 HydrophobicContact CD2-CZ2 3.97Å; T209-W274 HydrophobicContact CG2-CD2 4.29Å; T209-W274 HydrophobicContact CG2-CE3 3.45Å; T209-W274 VanDerWaalsContact CG2-CE3 3.45Å; T209-W274 HydrophobicContact CG2-CZ3 3.85Å; T209-W274 WeakPolarHBondContact OG1-CZ3 3.37Å; C249-W274 HydrophobicContact CB-CZ2 4.32Å; C249-W274 PolarHBondContact O-NE1 3.47Å; C249-W274 VanDerWaalsContact O-NE1 3.12Å; L253-W274 HydrophobicContact CD1-CZ2 3.92Å; L253-W274 HydrophobicContact CD2-CH2 4.44Å; L253-W274 HydrophobicContact CD2-CZ2 3.81Å; L253-W274 HydrophobicContact CG-CZ2 3.81Å; I270-W274 WeakPolarHBondContact O-CB 3.48Å; I270-W274 PolarHBondContact O-N 3.48Å; A271-W274 WeakPolarHBondContact O-CB 3.48Å; A271-W274 PolarHBondContact O-N 2.87Å; A272-W274 VanDerWaalsContact C-N 3.33Å; W274-F277 AromaticContact CE3-CD1 3.9Å; W274-F277 HydrophobicContact CE3-CD1 3.9Å; W274-F277 HydrophobicContact CH2-CD1 4.23Å; W274-F277 HydrophobicContact CH2-CE1 4.24Å; W274-F277 AromaticContact CZ3-CD1 3.62Å; W274-F277 HydrophobicContact CZ3-CD1 3.62Å; W274-F277 AromaticContact CZ3-CE1 3.86Å; W274-F277 HydrophobicContact CZ3-CE1 3.86Å; W274-F277 PolarHBondContact O-N 3.47Å; W274-G278 PolarHBondContact O-N 2.89Å
275	W	89.8	Confident	91.1	Very high	111 Å²	111	65 Å²	65	42%	0.42	34%	0.335	S	S	.	.	H	α-helix	trans	-63.5	-43.1	175	-67.5	-16.4	0	0	0	112.3	F248 S252 V261 A271 A272 F277 G278 F279	F248-W275 HydrophobicContact CZ-CZ2 4.46Å; S252-W275 PolarHBondContact OG-NE1 2.93Å; V261-W275 HydrophobicContact CG2-CH2 3.79Å; V261-W275 HydrophobicContact CG2-CZ2 3.94Å; A271-W275 VanDerWaalsContact O-CG 3.28Å; A271-W275 PolarHBondContact O-N 2.9Å; A272-W275 PolarHBondContact O-N 2.92Å; W275-F277 VanDerWaalsContact C-N 3.34Å; W275-F277 PolarHBondContact O-N 3.34Å; W275-G278 PolarHBondContact O-N 2.83Å; W275-F279 WeakPolarHBondContact O-CB 3.49Å; W275-F279 PolarHBondContact O-N 3.2Å
276	L	91.1	Very high	91.3	Very high	107 Å²	107	62.3 Å²	62.3	56%	0.56	33%	0.326	S	S	*	.	H	α-helix	trans	-60.8	-45	175.1	-176.6	66.9	0	0	0	111.1	A272 T273 F279 I280	A272-L276 PolarHBondContact O-N 3.33Å; T273-L276 PolarHBondContact O-N 3.35Å; L276-F279 PolarHBondContact O-N 2.81Å; L276-I280 HydrophobicContact CD1-CD1 4.25Å; L276-I280 HydrophobicContact CG-CD1 4.02Å; L276-I280 VanDerWaalsContact O-CG1 3.28Å; L276-I280 WeakPolarHBondContact O-CG1 3.16Å; L276-I280 PolarHBondContact O-N 3.19Å; L276-I280 VanDerWaalsContact O-N 3.09Å
277	F	92.4	Very high	91.4	Very high	67 Å²	67	62.9 Å²	62.9	29%	0.294	33%	0.333	S	S	.	.	H	α-helix	trans	-60.6	-50.1	176.3	175.6	-100	0	0	0	111.9	S205 T273 W274 W275 F279 I280 I281	S205-F277 VanDerWaalsContact OG-CE1 3.26Å; S205-F277 WeakPolarHBondContact OG-CE1 3.41Å; S205-F277 WeakPolarHBondContact OG-CZ 3.44Å; T273-F277 WeakPolarHBondContact O-CB 3.11Å; T273-F277 PolarHBondContact O-N 3.49Å; W274-F277 AromaticContact CE3-CD1 3.9Å; W274-F277 HydrophobicContact CE3-CD1 3.9Å; W274-F277 HydrophobicContact CH2-CD1 4.23Å; W274-F277 HydrophobicContact CH2-CE1 4.24Å; W274-F277 AromaticContact CZ3-CD1 3.62Å; W274-F277 HydrophobicContact CZ3-CD1 3.62Å; W274-F277 AromaticContact CZ3-CE1 3.86Å; W274-F277 HydrophobicContact CZ3-CE1 3.86Å; W274-F277 PolarHBondContact O-N 3.47Å; W275-F277 VanDerWaalsContact C-N 3.34Å; W275-F277 PolarHBondContact O-N 3.34Å; F277-F279 VanDerWaalsContact C-N 3.34Å; F277-F279 PolarHBondContact O-N 2.93Å; F277-I280 PolarHBondContact O-N 3Å; F277-I281 HydrophobicContact CD1-CG1 4.38Å; F277-I281 HydrophobicContact CD2-CG1 4.28Å; F277-I281 HydrophobicContact CE1-CG1 3.96Å; F277-I281 HydrophobicContact CE2-CD1 4.07Å; F277-I281 HydrophobicContact CE2-CG1 3.85Å; F277-I281 HydrophobicContact CZ-CD1 4.06Å; F277-I281 HydrophobicContact CZ-CG1 3.67Å; F277-I281 WeakPolarHBondContact O-CG1 2.93Å; F277-I281 PolarHBondContact O-N 2.88Å
278	G	90.8	Very high	91.5	Very high	4 Å²	4	66.1 Å²	66.1	4%	0.041	35%	0.351	C	S	.	.	H	α-helix	trans	-58.9	-43.3	178.7	0	0	0	0	0	112.7	W274 W275 I281 I282	W274-G278 PolarHBondContact O-N 2.89Å; W275-G278 PolarHBondContact O-N 2.83Å; G278-I281 PolarHBondContact O-N 2.63Å; G278-I282 WeakPolarHBondContact O-CD1 3.34Å; G278-I282 VanDerWaalsContact O-CG1 3.28Å; G278-I282 WeakPolarHBondContact O-CG1 3.25Å; G278-I282 PolarHBondContact O-N 3.15Å
279	F	90.1	Very high	91.3	Very high	151 Å²	151	62.7 Å²	62.7	66%	0.662	34%	0.341	S	S	*	.	H	α-helix	trans	-60.7	-46.8	176.3	178.3	-101.9	0	0	0	112.4	W275 L276 F277 I281 I282 A283	W275-F279 WeakPolarHBondContact O-CB 3.49Å; W275-F279 PolarHBondContact O-N 3.2Å; L276-F279 PolarHBondContact O-N 2.81Å; F277-F279 VanDerWaalsContact C-N 3.34Å; F277-F279 PolarHBondContact O-N 2.93Å; F279-I281 PolarHBondContact O-N 2.97Å; F279-I282 PolarHBondContact O-N 3.19Å; F279-A283 VanDerWaalsContact O-CB 3.29Å; F279-A283 WeakPolarHBondContact O-CB 3.37Å; F279-A283 PolarHBondContact O-N 3.25Å
280	I	92.6	Very high	90.9	Very high	94 Å²	94	60.6 Å²	60.6	48%	0.482	34%	0.339	S	S	.	.	H	α-helix	trans	-62.3	-44.2	179.1	-68.5	167	0	0	0	111	L276 F277 A283 S284	L276-I280 HydrophobicContact CD1-CD1 4.25Å; L276-I280 HydrophobicContact CG-CD1 4.02Å; L276-I280 VanDerWaalsContact O-CG1 3.28Å; L276-I280 WeakPolarHBondContact O-CG1 3.16Å; L276-I280 PolarHBondContact O-N 3.19Å; L276-I280 VanDerWaalsContact O-N 3.09Å; F277-I280 PolarHBondContact O-N 3Å; I280-A283 PolarHBondContact O-N 3.02Å; I280-S284 VanDerWaalsContact O-CB 3.31Å; I280-S284 WeakPolarHBondContact O-CB 3.36Å; I280-S284 PolarHBondContact O-N 3.15Å
281	I	91.8	Very high	90.6	Very high	44 Å²	44	61.9 Å²	61.9	23%	0.226	35%	0.353	C	S	.	.	H	α-helix	trans	-65.3	-44.6	-179.5	-68	-63.4	0	0	0	111.6	I202 F277 G278 F279 S284 Y285	I202-I281 HydrophobicContact CD1-CG2 3.82Å; I202-I281 HydrophobicContact CG1-CG2 4.37Å; F277-I281 HydrophobicContact CD1-CG1 4.38Å; F277-I281 HydrophobicContact CD2-CG1 4.28Å; F277-I281 HydrophobicContact CE1-CG1 3.96Å; F277-I281 HydrophobicContact CE2-CD1 4.07Å; F277-I281 HydrophobicContact CE2-CG1 3.85Å; F277-I281 HydrophobicContact CZ-CD1 4.06Å; F277-I281 HydrophobicContact CZ-CG1 3.67Å; F277-I281 WeakPolarHBondContact O-CG1 2.93Å; F277-I281 PolarHBondContact O-N 2.88Å; G278-I281 PolarHBondContact O-N 2.63Å; F279-I281 PolarHBondContact O-N 2.97Å; I281-S284 PolarHBondContact O-N 2.86Å; I281-Y285 WeakPolarHBondContact O-CB 3.27Å; I281-Y285 PolarHBondContact O-N 3.47Å
282	I	90.5	Very high	90.1	Very high	74 Å²	74	65.4 Å²	65.4	38%	0.379	37%	0.368	S	S	.	.	H	α-helix	trans	-65.5	-44.8	178.7	-66.2	164.3	0	0	0	110.5	L253 G278 F279 S284 Y285 T286	L253-I282 WeakPolarHBondContact O-CD1 3.42Å; G278-I282 WeakPolarHBondContact O-CD1 3.34Å; G278-I282 VanDerWaalsContact O-CG1 3.28Å; G278-I282 WeakPolarHBondContact O-CG1 3.25Å; G278-I282 PolarHBondContact O-N 3.15Å; F279-I282 PolarHBondContact O-N 3.19Å; I282-S284 VanDerWaalsContact C-N 3.34Å; I282-S284 PolarHBondContact O-N 2.8Å; I282-Y285 PolarHBondContact O-N 3.43Å; I282-T286 HydrophobicContact CG2-CG2 4.46Å; I282-T286 WeakPolarHBondContact O-CG2 3.33Å; I282-T286 PolarHBondContact O-N 2.92Å; I282-T286 PolarHBondContact O-OG1 2.97Å
283	A	92.4	Very high	89.2	Confident	43 Å²	43	65.4 Å²	65.4	36%	0.355	36%	0.36	S	S	.	.	H	α-helix	trans	-59	-46.1	176.3	0	0	0	0	0	111.3	F279 I280 T286 A287	F279-A283 VanDerWaalsContact O-CB 3.29Å; F279-A283 WeakPolarHBondContact O-CB 3.37Å; F279-A283 PolarHBondContact O-N 3.25Å; I280-A283 PolarHBondContact O-N 3.02Å; A283-T286 PolarHBondContact O-N 3.38Å; A283-T286 PolarHBondContact O-OG1 3.15Å; A283-A287 WeakPolarHBondContact O-CB 3.23Å; A283-A287 PolarHBondContact O-N 3Å
284	S	92.3	Very high	88.3	Confident	51 Å²	51	64.8 Å²	64.8	36%	0.357	36%	0.356	S	S	.	.	H	α-helix	trans	-63	-42.4	176.6	179.5	0	0	0	0	112.6	I280 I281 I282 T286 A287 N288	I280-S284 VanDerWaalsContact O-CB 3.31Å; I280-S284 WeakPolarHBondContact O-CB 3.36Å; I280-S284 PolarHBondContact O-N 3.15Å; I281-S284 PolarHBondContact O-N 2.86Å; I282-S284 VanDerWaalsContact C-N 3.34Å; I282-S284 PolarHBondContact O-N 2.8Å; S284-T286 PolarHBondContact O-N 2.98Å; S284-A287 PolarHBondContact O-N 3.43Å; S284-N288 WeakPolarHBondContact O-CB 3.48Å; S284-N288 PolarHBondContact O-N 2.9Å
285	Y	92	Very high	87	Confident	51 Å²	51	68.4 Å²	68.4	20%	0.2	38%	0.379	C	S	.	.	H	α-helix	trans	-59.8	-47.5	175.8	177.7	-100.1	0	0	0	111.5	F190 V193 L194 I281 I282 A287 N288 L289	F190-Y285 PolarHBondContact O-OH 3.46Å; V193-Y285 HydrophobicContact CB-CD2 4.43Å; V193-Y285 HydrophobicContact CB-CE2 3.93Å; V193-Y285 HydrophobicContact CG1-CD2 4.13Å; V193-Y285 HydrophobicContact CG1-CE2 4.07Å; L194-Y285 HydrophobicContact CD1-CD2 3.75Å; L194-Y285 HydrophobicContact CG-CD2 3.94Å; I281-Y285 WeakPolarHBondContact O-CB 3.27Å; I281-Y285 PolarHBondContact O-N 3.47Å; I282-Y285 PolarHBondContact O-N 3.43Å; Y285-A287 PolarHBondContact O-N 2.93Å; Y285-N288 PolarHBondContact O-N 3.15Å; Y285-L289 HydrophobicContact CE1-CD2 4.3Å; Y285-L289 VanDerWaalsContact O-CB 3.32Å; Y285-L289 WeakPolarHBondContact O-CB 3.47Å; Y285-L289 PolarHBondContact O-N 2.95Å
286	T	91.5	Very high	85.7	Confident	76 Å²	76	66.1 Å²	66.1	47%	0.466	38%	0.38	S	S	.	.	H	α-helix	trans	-64.6	-38.5	179.5	57.9	0	0	0	0	112.7	I282 A283 S284 A290	I282-T286 HydrophobicContact CG2-CG2 4.46Å; I282-T286 WeakPolarHBondContact O-CG2 3.33Å; I282-T286 PolarHBondContact O-N 2.92Å; I282-T286 PolarHBondContact O-OG1 2.97Å; A283-T286 PolarHBondContact O-N 3.38Å; A283-T286 PolarHBondContact O-OG1 3.15Å; S284-T286 PolarHBondContact O-N 2.98Å; T286-A290 WeakPolarHBondContact O-CB 3.45Å; T286-A290 PolarHBondContact O-N 3.43Å
287	A	92.4	Very high	83.9	Confident	56 Å²	56	67.5 Å²	67.5	46%	0.463	38%	0.378	S	S	.	.	H	α-helix	trans	-65.5	-45.2	176	0	0	0	0	0	111.9	A283 S284 Y285 A290 A291	A283-A287 WeakPolarHBondContact O-CB 3.23Å; A283-A287 PolarHBondContact O-N 3Å; S284-A287 PolarHBondContact O-N 3.43Å; Y285-A287 PolarHBondContact O-N 2.93Å; A287-A290 PolarHBondContact O-N 3.28Å; A287-A291 WeakPolarHBondContact O-CB 3.11Å; A287-A291 PolarHBondContact O-N 3.27Å
288	N	91.3	Very high	81.9	Confident	68 Å²	68	70.6 Å²	70.6	36%	0.364	40%	0.396	S	S	.	.	H	α-helix	trans	-67.6	-38.8	178.6	-71.5	-7.6	0	0	0	111.9	V193 S284 Y285 A290 A291 F292	V193-N288 HydrophobicContact CG1-CB 3.54Å; S284-N288 WeakPolarHBondContact O-CB 3.48Å; S284-N288 PolarHBondContact O-N 2.9Å; Y285-N288 PolarHBondContact O-N 3.15Å; N288-A290 VanDerWaalsContact C-N 3.35Å; N288-A291 PolarHBondContact O-N 3.24Å; N288-F292 VanDerWaalsContact O-CB 3.27Å; N288-F292 WeakPolarHBondContact O-CB 3.49Å; N288-F292 PolarHBondContact O-N 3.48Å
289	L	85.6	Confident	80.1	Confident	51 Å²	51	76.3 Å²	76.3	27%	0.267	42%	0.421	S	S	.	.	H	α-helix	trans	-60.8	-46.2	174.6	177.8	66	0	0	0	110.6	V193 Y285 F292 L293	V193-L289 HydrophobicContact CG1-CB 4.2Å; V193-L289 HydrophobicContact CG2-CB 4.39Å; V193-L289 HydrophobicContact CG2-CD1 3.78Å; Y285-L289 HydrophobicContact CE1-CD2 4.3Å; Y285-L289 VanDerWaalsContact O-CB 3.32Å; Y285-L289 WeakPolarHBondContact O-CB 3.47Å; Y285-L289 PolarHBondContact O-N 2.95Å; L289-F292 PolarHBondContact O-N 3Å; L289-L293 HydrophobicContact CD1-CD1 4.23Å; L289-L293 HydrophobicContact CD1-CG 4.39Å; L289-L293 HydrophobicContact CG-CD1 4.12Å; L289-L293 WeakPolarHBondContact O-CB 3.5Å; L289-L293 VanDerWaalsContact O-CG 3.24Å; L289-L293 WeakPolarHBondContact O-CG 3.45Å; L289-L293 PolarHBondContact O-N 3.06Å
290	A	84.9	Confident	78.4	Confident	56 Å²	56	73.1 Å²	73.1	46%	0.463	42%	0.415	S	S	.	.	H	α-helix	trans	-61.3	-44.5	177	0	0	0	0	0	112	T286 A287 N288 L293 T294	T286-A290 WeakPolarHBondContact O-CB 3.45Å; T286-A290 PolarHBondContact O-N 3.43Å; A287-A290 PolarHBondContact O-N 3.28Å; N288-A290 VanDerWaalsContact C-N 3.35Å; A290-L293 PolarHBondContact O-N 3.38Å; A290-T294 PolarHBondContact O-N 3.22Å; A290-T294 PolarHBondContact O-OG1 3.38Å
291	A	85.3	Confident	77	Confident	48 Å²	48	75.6 Å²	75.6	40%	0.397	42%	0.422	S	S	.	.	H	α-helix	trans	-64.3	-39.7	176.8	0	0	0	0	0	112.5	A287 N288 L293 T294 V295	A287-A291 WeakPolarHBondContact O-CB 3.11Å; A287-A291 PolarHBondContact O-N 3.27Å; N288-A291 PolarHBondContact O-N 3.24Å; A291-L293 PolarHBondContact O-N 2.94Å; A291-T294 PolarHBondContact O-N 2.95Å; A291-T294 PolarHBondContact O-OG1 2.89Å; A291-V295 WeakPolarHBondContact O-CB 3.35Å; A291-V295 VanDerWaalsContact O-CG2 3.26Å; A291-V295 WeakPolarHBondContact O-CG2 3.43Å; A291-V295 PolarHBondContact O-N 3.04Å
292	F	78.9	Confident	76.2	Confident	76 Å²	76	74 Å²	74	33%	0.333	41%	0.414	S	S	.	.	H	α-helix	trans	-67.4	-38.8	179.5	-175.1	-97.6	0	0	0	112	K189 N288 L289 T294 V295 S296	K189-F292 HydrophobicContact CD-CE1 3.81Å; K189-F292 HydrophobicContact CD-CZ 4.45Å; K189-F292 VanDerWaalsContact CE-CE1 3.46Å; K189-F292 HydrophobicContact CG-CE1 3.77Å; K189-F292 HydrophobicContact CG-CZ 4.29Å; N288-F292 VanDerWaalsContact O-CB 3.27Å; N288-F292 WeakPolarHBondContact O-CB 3.49Å; N288-F292 PolarHBondContact O-N 3.48Å; L289-F292 PolarHBondContact O-N 3Å; F292-T294 PolarHBondContact O-N 2.94Å; F292-V295 PolarHBondContact O-N 3.36Å; F292-S296 PolarHBondContact O-N 2.68Å; F292-S296 VanDerWaalsContact O-N 3.12Å; F292-S296 PolarHBondContact O-OG 2.04Å
293	L	73.8	Confident	75.6	Confident	53 Å²	53	73 Å²	73	28%	0.277	41%	0.413	S	S	.	.	H	α-helix	trans	-67.2	-22.1	175.8	-69.9	171.3	0	0	0	113.4	L289 A290 A291 R297 I487	L289-L293 HydrophobicContact CD1-CD1 4.23Å; L289-L293 HydrophobicContact CD1-CG 4.39Å; L289-L293 HydrophobicContact CG-CD1 4.12Å; L289-L293 WeakPolarHBondContact O-CB 3.5Å; L289-L293 VanDerWaalsContact O-CG 3.24Å; L289-L293 WeakPolarHBondContact O-CG 3.45Å; L289-L293 PolarHBondContact O-N 3.06Å; A290-L293 PolarHBondContact O-N 3.38Å; A291-L293 PolarHBondContact O-N 2.94Å; L293-R297 PolarHBondContact O-NE 2.61Å; L293-I487 HydrophobicContact CD1-CD1 3.72Å; L293-I487 HydrophobicContact CD2-CD1 4.23Å; L293-I487 HydrophobicContact CD2-CG1 4.27Å
294	T	73.5	Confident	75.2	Confident	75 Å²	75	73.8 Å²	73.8	46%	0.46	41%	0.411	S	S	.	.	H	α-helix	trans	-88.9	-40.2	172.8	56.8	0	0	0	0	112.2	A290 A291 F292 S296 R297	A290-T294 PolarHBondContact O-N 3.22Å; A290-T294 PolarHBondContact O-OG1 3.38Å; A291-T294 PolarHBondContact O-N 2.95Å; A291-T294 PolarHBondContact O-OG1 2.89Å; F292-T294 PolarHBondContact O-N 2.94Å; T294-S296 PolarHBondContact O-N 3.05Å; T294-R297 VanDerWaalsContact O-CB 3.26Å; T294-R297 WeakPolarHBondContact O-CB 3.46Å; T294-R297 PolarHBondContact O-N 3.48Å; T294-R297 VanDerWaalsContact O-N 3.13Å
295	V	64.7	Low	75.1	Confident	81 Å²	81	72.2 Å²	72.2	49%	0.491	40%	0.399	S	S	.	.	H	α-helix	trans	-67.1	-35.6	-178.2	171	0	0	0	0	112.4	A291 F292 R297 I298	A291-V295 WeakPolarHBondContact O-CB 3.35Å; A291-V295 VanDerWaalsContact O-CG2 3.26Å; A291-V295 WeakPolarHBondContact O-CG2 3.43Å; A291-V295 PolarHBondContact O-N 3.04Å; F292-V295 PolarHBondContact O-N 3.36Å; V295-R297 PolarHBondContact O-N 3.46Å; V295-I298 PolarHBondContact O-N 2.7Å
296	S	61.2	Low	75	Confident	63 Å²	63	73.9 Å²	73.9	44%	0.441	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-8.7	175.6	65.9	0	0	0	0	113.6	F292 T294	F292-S296 PolarHBondContact O-N 2.68Å; F292-S296 VanDerWaalsContact O-N 3.12Å; F292-S296 PolarHBondContact O-OG 2.04Å; T294-S296 PolarHBondContact O-N 3.05Å
297	R	53.6	Low	74.8	Confident	135 Å²	135	72.8 Å²	72.8	51%	0.509	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-5.4	177.3	-54.9	178	177.1	-171.8	-9.3	114.2	L293 T294 V295	L293-R297 PolarHBondContact O-NE 2.61Å; T294-R297 VanDerWaalsContact O-CB 3.26Å; T294-R297 WeakPolarHBondContact O-CB 3.46Å; T294-R297 PolarHBondContact O-N 3.48Å; T294-R297 VanDerWaalsContact O-N 3.13Å; V295-R297 PolarHBondContact O-N 3.46Å
298	I	51.6	Low	74.6	Confident	132 Å²	132	70.1 Å²	70.1	68%	0.677	38%	0.381	S	S	*	.			trans	-109.8	-4.8	-169.7	-61.9	175.2	0	0	0	112.9	V295 T300	V295-I298 PolarHBondContact O-N 2.7Å; I298-T300 PolarHBondContact O-N 2.85Å
299	E	52.8	Low	74.4	Confident	124 Å²	124	68.2 Å²	68.2	58%	0.579	37%	0.372	S	S	*	.			trans	-88.2	67.6	-175	-65.6	-153.7	156.5	0	0	114.7	K301	E299-K301 WeakPolarHBondContact OE1-CE 3.4Å; E299-K301 IonicContact OE1-NZ 3.21Å; E299-K301 PolarHBondContact OE1-NZ 2.75Å; E299-K301 IonicContact OE2-NZ 2.79Å; E299-K301 PolarHBondContact OE2-NZ 3.47Å
300	T	55	Low	74.5	Confident	85 Å²	85	75.2 Å²	75.2	52%	0.521	40%	0.395	S	S	.	.			trans	-91.3	87.7	142.6	54.8	0	0	0	0	107.5	I298 I302	I298-T300 PolarHBondContact O-N 2.85Å; T300-I302 PolarHBondContact O-N 2.89Å
301	K	63	Low	74.6	Confident	145 Å²	145	74.3 Å²	74.3	63%	0.63	38%	0.382	S	S	*	.			trans	-59.6	-15	-175.3	-82.4	178.6	167.6	124.9	0	114.7	E299	E299-K301 WeakPolarHBondContact OE1-CE 3.4Å; E299-K301 IonicContact OE1-NZ 3.21Å; E299-K301 PolarHBondContact OE1-NZ 2.75Å; E299-K301 IonicContact OE2-NZ 2.79Å; E299-K301 PolarHBondContact OE2-NZ 3.47Å
302	I	73.8	Confident	74.6	Confident	12 Å²	12	81 Å²	81	6%	0.062	40%	0.398	C	S	.	.			trans	-132.7	121.2	176	-60.7	-179.1	0	0	0	105.8	T300 D307 L308 Q311 I314 I424	T300-I302 PolarHBondContact O-N 2.89Å; I302-D307 HydrophobicContact CG2-CB 4.13Å; I302-L308 HydrophobicContact CD1-CD1 3.64Å; I302-L308 HydrophobicContact CG2-CB 4.43Å; I302-Q311 HydrophobicContact CD1-CG 4.47Å; I302-I314 HydrophobicContact CD1-CB 4.27Å; I302-I314 HydrophobicContact CD1-CD1 3.37Å; I302-I314 HydrophobicContact CD1-CG1 4.21Å; I302-I314 HydrophobicContact CD1-CG2 4.43Å; I302-I314 HydrophobicContact CG1-CD1 4.14Å; I302-I424 HydrophobicContact CB-CG2 4.34Å; I302-I424 HydrophobicContact CG2-CG2 3.96Å; I302-I424 WeakPolarHBondContact O-CG2 3.5Å
303	S	79.2	Confident	74.9	Confident	51 Å²	51	86 Å²	86	36%	0.357	42%	0.419	S	S	.	.			trans	-95.2	-40.7	162.5	61.7	0	0	0	0	110.3	D307 I424 G425	S303-D307 PolarHBondContact N-OD2 2.89Å; S303-D307 VanDerWaalsContact N-OD2 3.17Å; S303-D307 PolarHBondContact OG-OD2 3.5Å; S303-I424 VanDerWaalsContact O-CG2 3.28Å; S303-I424 WeakPolarHBondContact O-CG2 3.27Å; S303-G425 WeakPolarHBondContact O-CA 3.32Å; S303-G425 PolarHBondContact O-N 3.47Å
304	D	83.9	Confident	75.6	Confident	60 Å²	60	84.6 Å²	84.6	32%	0.321	41%	0.412	S	S	.	.	S	Bend	trans	-136.1	172.2	-166.4	-61.4	-61.7	0	0	0	114.4	N306 D307 L308	D304-N306 PolarHBondContact O-N 3.09Å; D304-D307 PolarHBondContact O-N 2.96Å; D304-D307 VanDerWaalsContact O-N 3.08Å; D304-L308 PolarHBondContact O-N 3.32Å
305	L	89.6	Confident	76.5	Confident	19 Å²	19	85 Å²	85	10%	0.099	41%	0.407	C	S	.	.	H	α-helix	trans	-55.3	-34.4	175.6	-170.8	69.5	0	0	0	112.8	I176 L308 S309 F328 F370 M373 I405 F428	I176-L305 HydrophobicContact CD1-CD1 4.28Å; L305-L308 HydrophobicContact CD1-CD2 4.4Å; L305-L308 WeakPolarHBondContact O-CB 3.2Å; L305-L308 PolarHBondContact O-N 3.5Å; L305-S309 PolarHBondContact O-N 3.24Å; L305-F328 HydrophobicContact CD1-CZ 4.17Å; L305-F370 HydrophobicContact CD2-CE1 4.21Å; L305-M373 HydrophobicContact CD1-CE 3.59Å; L305-M373 HydrophobicContact CG-CE 4.06Å; L305-M373 HydrophobicContact CG-SD 4.46Å; L305-I405 HydrophobicContact CD1-CD1 4.01Å; L305-F428 HydrophobicContact CB-CE1 4.49Å; L305-F428 HydrophobicContact CD1-CE1 4.02Å; L305-F428 HydrophobicContact CD1-CZ 3.9Å; L305-F428 HydrophobicContact CD2-CD1 4.32Å; L305-F428 HydrophobicContact CD2-CD2 4.06Å; L305-F428 HydrophobicContact CD2-CE1 4.23Å; L305-F428 HydrophobicContact CD2-CE2 3.96Å; L305-F428 HydrophobicContact CD2-CG 4.23Å; L305-F428 HydrophobicContact CD2-CZ 4.03Å; L305-F428 HydrophobicContact CG-CE1 4.5Å
306	N	88.7	Confident	77.9	Confident	85 Å²	85	81.4 Å²	81.4	46%	0.455	39%	0.385	S	S	.	.	H	α-helix	trans	-67.5	-34.1	178.6	-69.3	-23.5	0	0	0	112.9	D304 S309 R310 Q369	D304-N306 PolarHBondContact O-N 3.09Å; N306-S309 PolarHBondContact O-OG 2.82Å; N306-R310 WeakPolarHBondContact O-CG 3.37Å; N306-R310 PolarHBondContact O-N 2.73Å; N306-Q369 PolarHBondContact OD1-NE2 3.04Å
307	D	87.9	Confident	79.6	Confident	54 Å²	54	78.4 Å²	78.4	29%	0.289	36%	0.364	S	S	.	.	H	α-helix	trans	-71.6	-39.4	175.2	-68.6	-19.8	0	0	0	110.2	I302 S303 D304 S309 R310 Q311	I302-D307 HydrophobicContact CG2-CB 4.13Å; S303-D307 PolarHBondContact N-OD2 2.89Å; S303-D307 VanDerWaalsContact N-OD2 3.17Å; S303-D307 PolarHBondContact OG-OD2 3.5Å; D304-D307 PolarHBondContact O-N 2.96Å; D304-D307 VanDerWaalsContact O-N 3.08Å; D307-S309 VanDerWaalsContact C-N 3.27Å; D307-S309 PolarHBondContact O-N 3.15Å; D307-R310 PolarHBondContact O-N 3.2Å; D307-Q311 WeakPolarHBondContact O-CG 3.24Å; D307-Q311 PolarHBondContact O-N 2.89Å
308	L	87.7	Confident	81.5	Confident	0 Å²	0	72 Å²	72	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-60.6	-36.5	176	-169.4	71	0	0	0	111.9	I176 I302 D304 L305 Q311 I314 Y316 A403 I405	I176-L308 HydrophobicContact CD1-CD2 4.05Å; I176-L308 HydrophobicContact CG1-CD2 4.35Å; I302-L308 HydrophobicContact CD1-CD1 3.64Å; I302-L308 HydrophobicContact CG2-CB 4.43Å; D304-L308 PolarHBondContact O-N 3.32Å; L305-L308 HydrophobicContact CD1-CD2 4.4Å; L305-L308 WeakPolarHBondContact O-CB 3.2Å; L305-L308 PolarHBondContact O-N 3.5Å; L308-Q311 PolarHBondContact O-NE2 3.27Å; L308-Q311 VanDerWaalsContact O-NE2 3.11Å; L308-I314 HydrophobicContact CD1-CG2 4.3Å; L308-Y316 HydrophobicContact CD1-CD1 3.6Å; L308-Y316 HydrophobicContact CD1-CE1 4.29Å; L308-Y316 HydrophobicContact CD1-CG 4.13Å; L308-Y316 HydrophobicContact CD2-CD1 3.89Å; L308-Y316 HydrophobicContact CD2-CD2 4.18Å; L308-Y316 HydrophobicContact CD2-CE1 4.49Å; L308-Y316 HydrophobicContact CD2-CG 3.71Å; L308-Y316 HydrophobicContact CG-CD1 3.49Å; L308-Y316 VanDerWaalsContact CG-CD1 3.49Å; L308-Y316 HydrophobicContact CG-CE1 3.86Å; L308-Y316 HydrophobicContact CG-CG 3.87Å; L308-Y316 WeakPolarHBondContact O-CE1 3.39Å; L308-A403 HydrophobicContact CD1-CB 4.39Å; L308-I405 HydrophobicContact CD2-CD1 4.03Å
309	S	88.2	Confident	83.4	Confident	27 Å²	27	66.3 Å²	66.3	19%	0.189	31%	0.311	C	S	.	.	H	α-helix	trans	-75.9	-23.8	179.6	73.4	0	0	0	0	114.3	L305 N306 D307 Q369 M373	L305-S309 PolarHBondContact O-N 3.24Å; N306-S309 PolarHBondContact O-OG 2.82Å; D307-S309 VanDerWaalsContact C-N 3.27Å; D307-S309 PolarHBondContact O-N 3.15Å; S309-Q369 PolarHBondContact OG-NE2 2.91Å; S309-Q369 VanDerWaalsContact OG-NE2 3.11Å; S309-M373 WeakPolarHBondContact CB-SD 3.39Å
310	R	88.1	Confident	85.1	Confident	198 Å²	198	66.4 Å²	66.4	75%	0.747	31%	0.31	S	S	*	.	H	α-helix	trans	-86.4	-19.4	-179.4	-73.1	174.3	177.1	-176.7	0.1	113.5	N306 D307	N306-R310 WeakPolarHBondContact O-CG 3.37Å; N306-R310 PolarHBondContact O-N 2.73Å; D307-R310 PolarHBondContact O-N 3.2Å
311	Q	87.2	Confident	86.4	Confident	38 Å²	38	65.5 Å²	65.5	18%	0.178	31%	0.307	C	S	.	.			trans	-104.2	155.9	-175.2	69.4	76	41.8	0	0	111.5	I302 D307 L308 I314	I302-Q311 HydrophobicContact CD1-CG 4.47Å; D307-Q311 WeakPolarHBondContact O-CG 3.24Å; D307-Q311 PolarHBondContact O-N 2.89Å; L308-Q311 PolarHBondContact O-NE2 3.27Å; L308-Q311 VanDerWaalsContact O-NE2 3.11Å; Q311-I314 PolarHBondContact NE2-O 3.04Å
312	Y	84.4	Confident	87.3	Confident	187 Å²	187	59.7 Å²	59.7	73%	0.733	28%	0.284	S	S	*	.	S	Bend	trans	-120.4	-1.9	179.5	-59.6	-79.1	0	0	0	114.2	Y376	Y312-Y376 PolarHBondContact O-OH 3.37Å
313	K	85.7	Confident	87.8	Confident	182 Å²	182	60.9 Å²	60.9	79%	0.791	29%	0.294	S	S	*	.	S	Bend	trans	-80.5	-32.8	-174	-68	-177.3	178.9	179.2	0	112.8
314	I	88.4	Confident	88.3	Confident	24 Å²	24	58.4 Å²	58.4	12%	0.123	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	113.3	-178.1	-54.4	-171.1	0	0	0	106.5	I302 L308 Q311 Y316 K401 A403	I302-I314 HydrophobicContact CD1-CB 4.27Å; I302-I314 HydrophobicContact CD1-CD1 3.37Å; I302-I314 HydrophobicContact CD1-CG1 4.21Å; I302-I314 HydrophobicContact CD1-CG2 4.43Å; I302-I314 HydrophobicContact CG1-CD1 4.14Å; L308-I314 HydrophobicContact CD1-CG2 4.3Å; Q311-I314 PolarHBondContact NE2-O 3.04Å; I314-Y316 WeakPolarHBondContact O-CD1 3.22Å; I314-K401 WeakPolarHBondContact CA-O 3.44Å; I314-K401 HydrophobicContact CB-CB 4.45Å; I314-K401 HydrophobicContact CD1-CB 4.37Å; I314-K401 HydrophobicContact CD1-CD 4.25Å; I314-K401 HydrophobicContact CG1-CB 4.02Å; I314-K401 HydrophobicContact CG2-CB 4.1Å; I314-A403 HydrophobicContact CG2-CB 4.01Å
315	K	92.9	Very high	88.6	Confident	82 Å²	82	56.3 Å²	56.3	36%	0.357	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	143.6	174.3	-69.7	175.1	-178.3	169	0	108.7	T380 E400 K401 F402 A403	K315-T380 HydrophobicContact CB-CG2 3.92Å; K315-T380 HydrophobicContact CG-CG2 4.5Å; K315-E400 IonicContact NZ-OE1 2.84Å; K315-E400 IonicContact NZ-OE2 3.39Å; K315-E400 PolarHBondContact NZ-OE2 2.97Å; K315-K401 PolarHBondContact N-O 3.34Å; K315-F402 HydrophobicContact CB-CD2 3.87Å; K315-F402 CarbonylContact O-C 3.55Å; K315-F402 VanDerWaalsContact O-CA 3.28Å; K315-F402 WeakPolarHBondContact O-CA 3.39Å; K315-A403 PolarHBondContact O-N 3.37Å
316	Y	94.2	Very high	88.5	Confident	6 Å²	6	57.6 Å²	57.6	2%	0.024	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	148.2	178.6	55.4	-95.3	0	0	0	112.3	L308 I314 M373 Y376 M377 A403	L308-Y316 HydrophobicContact CD1-CD1 3.6Å; L308-Y316 HydrophobicContact CD1-CE1 4.29Å; L308-Y316 HydrophobicContact CD1-CG 4.13Å; L308-Y316 HydrophobicContact CD2-CD1 3.89Å; L308-Y316 HydrophobicContact CD2-CD2 4.18Å; L308-Y316 HydrophobicContact CD2-CE1 4.49Å; L308-Y316 HydrophobicContact CD2-CG 3.71Å; L308-Y316 HydrophobicContact CG-CD1 3.49Å; L308-Y316 VanDerWaalsContact CG-CD1 3.49Å; L308-Y316 HydrophobicContact CG-CE1 3.86Å; L308-Y316 HydrophobicContact CG-CG 3.87Å; L308-Y316 WeakPolarHBondContact O-CE1 3.39Å; I314-Y316 WeakPolarHBondContact O-CD1 3.22Å; Y316-M373 HydrophobicContact CD2-CE 4.45Å; Y316-M373 HydrophobicContact CE2-CB 4.13Å; Y316-M373 HydrophobicContact CE2-CE 3.81Å; Y316-M373 HydrophobicContact CE2-CG 4.33Å; Y316-Y376 AromaticContact CD1-CD1 3.91Å; Y316-Y376 HydrophobicContact CD1-CD1 3.91Å; Y316-Y376 AromaticContact CD1-CE1 3.68Å; Y316-Y376 HydrophobicContact CD1-CE1 3.68Å; Y316-Y376 HydrophobicContact CD2-CD1 4.23Å; Y316-Y376 AromaticContact CE1-CD1 3.44Å; Y316-Y376 HydrophobicContact CE1-CD1 3.44Å; Y316-Y376 VanDerWaalsContact CE1-CD1 3.44Å; Y316-Y376 AromaticContact CE1-CE1 3.5Å; Y316-Y376 HydrophobicContact CE1-CE1 3.5Å; Y316-Y376 VanDerWaalsContact CE1-CE1 3.5Å; Y316-Y376 HydrophobicContact CE1-CG 4.45Å; Y316-Y376 AromaticContact CE2-CD1 3.8Å; Y316-Y376 HydrophobicContact CE2-CD1 3.8Å; Y316-Y376 HydrophobicContact CG-CD1 4.29Å; Y316-Y376 HydrophobicContact CG-CE1 4.3Å; Y316-Y376 AromaticContact CZ-CD1 3.38Å; Y316-Y376 AromaticContact CZ-CE1 3.97Å; Y316-M377 HydrophobicContact CD2-CE 3.59Å; Y316-M377 HydrophobicContact CD2-CG 3.73Å; Y316-M377 HydrophobicContact CE2-CE 3.72Å; Y316-M377 HydrophobicContact CE2-CG 3.84Å; Y316-A403 WeakPolarHBondContact CA-O 3.42Å
317	A	95.5	Very high	88.6	Confident	0 Å²	0	55 Å²	55	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	166.6	178.2	0	0	0	0	0	111.8	L382 F402 A403 I405	A317-L382 HydrophobicContact CB-CD2 4.39Å; A317-F402 HydrophobicContact CB-CE2 4.01Å; A317-F402 HydrophobicContact CB-CZ 3.85Å; A317-A403 PolarHBondContact N-O 3.44Å; A317-I405 PolarHBondContact O-N 3.44Å
318	V	94.7	Very high	88.9	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	156.5	170.6	-67.7	0	0	0	0	109.9	A324 E325 F328 W374 M377 L382 P383 I405	V318-A324 HydrophobicContact CB-CB 4Å; V318-A324 HydrophobicContact CG1-CB 3.63Å; V318-E325 HydrophobicContact CG2-CB 3.91Å; V318-E325 HydrophobicContact CG2-CG 4.15Å; V318-F328 HydrophobicContact CG1-CD2 3.72Å; V318-F328 HydrophobicContact CG1-CE2 3.71Å; V318-W374 HydrophobicContact CG2-CZ3 4.19Å; V318-M377 HydrophobicContact CG1-CE 4.38Å; V318-M377 HydrophobicContact CG1-SD 4.15Å; V318-M377 HydrophobicContact CG2-SD 4.16Å; V318-L382 HydrophobicContact CG2-CD2 3.49Å; V318-L382 VanDerWaalsContact CG2-CD2 3.49Å; V318-L382 WeakPolarHBondContact O-CD2 3.28Å; V318-P383 WeakPolarHBondContact O-CD 3.35Å; V318-I405 HydrophobicContact CG1-CB 3.77Å; V318-I405 HydrophobicContact CG1-CG2 4Å
319	V	91.2	Very high	89.1	Confident	14 Å²	14	56.6 Å²	56.6	9%	0.085	26%	0.264	C	S	.	.			trans	-70.3	139.2	175	-175.6	0	0	0	0	109.9	S322 P383 L386 L404	V319-S322 VanDerWaalsContact O-CB 3.24Å; V319-S322 WeakPolarHBondContact O-CB 3.39Å; V319-S322 PolarHBondContact O-N 3.37Å; V319-S322 PolarHBondContact O-OG 3.4Å; V319-P383 HydrophobicContact CG2-CG 4.42Å; V319-L386 HydrophobicContact CG2-CD1 4.13Å; V319-L404 HydrophobicContact CG2-CD1 4.13Å
320	K	87.8	Confident	89.2	Confident	126 Å²	126	59.6 Å²	59.6	55%	0.548	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	140.7	175.8	-168.3	176.4	-179.3	179.5	0	110.9	S322 P383	K320-S322 PolarHBondContact O-N 2.8Å; K320-P383 WeakPolarHBondContact CB-O 3Å; K320-P383 PolarHBondContact N-O 3Å
321	S	81.5	Confident	89.5	Confident	65 Å²	65	52.7 Å²	52.7	46%	0.455	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	60	22.3	-178.6	-60	0	0	0	0	114.9	E325	S321-E325 VanDerWaalsContact CA-OE2 3.31Å; S321-E325 WeakPolarHBondContact CA-OE2 3.25Å; S321-E325 PolarHBondContact N-OE2 3.48Å
322	S	83.7	Confident	89.9	Confident	23 Å²	23	51.5 Å²	51.5	16%	0.161	24%	0.243	C	C	.	.	S	Bend	trans	-90.3	169	178.1	68.8	0	0	0	0	113.8	V319 K320 A324 E325 S326	V319-S322 VanDerWaalsContact O-CB 3.24Å; V319-S322 WeakPolarHBondContact O-CB 3.39Å; V319-S322 PolarHBondContact O-N 3.37Å; V319-S322 PolarHBondContact O-OG 3.4Å; K320-S322 PolarHBondContact O-N 2.8Å; S322-A324 VanDerWaalsContact C-N 3.29Å; S322-A324 PolarHBondContact OG-N 3.01Å; S322-E325 PolarHBondContact O-N 3.33Å; S322-E325 PolarHBondContact OG-N 3.21Å; S322-E325 VanDerWaalsContact OG-N 3.14Å; S322-S326 PolarHBondContact O-N 2.93Å; S322-S326 VanDerWaalsContact O-N 3.16Å; S322-S326 PolarHBondContact O-OG 2.9Å
323	S	82.6	Confident	90.2	Very high	37 Å²	37	47.7 Å²	47.7	26%	0.259	23%	0.232	S	C	.	.	H	α-helix	trans	-59	-40.9	169.2	51.9	0	0	0	0	111.7	E174 S326 Y327	E174-S323 WeakPolarHBondContact OE1-CB 3.47Å; E174-S323 PolarHBondContact OE1-OG 3.46Å; S323-S326 WeakPolarHBondContact O-CB 3.47Å; S323-S326 PolarHBondContact O-N 3.23Å; S323-Y327 PolarHBondContact O-N 3.17Å
324	A	89.8	Confident	90.6	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.5	-46.1	176.8	0	0	0	0	0	111.7	E174 V318 S322 S326 Y327 F328 I405	E174-A324 HydrophobicContact CG-CB 4.2Å; E174-A324 PolarHBondContact OE1-N 3.45Å; V318-A324 HydrophobicContact CB-CB 4Å; V318-A324 HydrophobicContact CG1-CB 3.63Å; S322-A324 VanDerWaalsContact C-N 3.29Å; S322-A324 PolarHBondContact OG-N 3.01Å; A324-S326 VanDerWaalsContact C-N 3.31Å; A324-S326 PolarHBondContact O-N 3.49Å; A324-Y327 WeakPolarHBondContact O-CB 3.48Å; A324-Y327 PolarHBondContact O-N 3.26Å; A324-Y327 VanDerWaalsContact O-N 3.11Å; A324-F328 VanDerWaalsContact O-CD2 3.24Å; A324-F328 WeakPolarHBondContact O-CD2 3.18Å; A324-F328 PolarHBondContact O-N 2.76Å; A324-I405 HydrophobicContact CB-CG2 4.25Å
325	E	91	Very high	90.8	Very high	15 Å²	15	41.5 Å²	41.5	7%	0.07	21%	0.21	C	C	.	.	H	α-helix	trans	-58.8	-45.2	176	-165.4	-162.7	-178	0	0	111.6	V318 S321 S322 Y327 F328 K329 W374	V318-E325 HydrophobicContact CG2-CB 3.91Å; V318-E325 HydrophobicContact CG2-CG 4.15Å; S321-E325 VanDerWaalsContact CA-OE2 3.31Å; S321-E325 WeakPolarHBondContact CA-OE2 3.25Å; S321-E325 PolarHBondContact N-OE2 3.48Å; S322-E325 PolarHBondContact O-N 3.33Å; S322-E325 PolarHBondContact OG-N 3.21Å; S322-E325 VanDerWaalsContact OG-N 3.14Å; E325-Y327 VanDerWaalsContact C-N 3.26Å; E325-Y327 PolarHBondContact O-N 3.19Å; E325-F328 PolarHBondContact O-N 2.83Å; E325-K329 HydrophobicContact CG-CD 4.44Å; E325-K329 WeakPolarHBondContact O-CG 3.43Å; E325-K329 PolarHBondContact O-N 2.64Å; E325-K329 WeakPolarHBondContact OE1-CE 3.29Å; E325-K329 IonicContact OE1-NZ 3.74Å; E325-K329 PolarHBondContact OE1-NZ 3.1Å; E325-K329 IonicContact OE2-NZ 2.61Å; E325-W374 HydrophobicContact CG-CH2 3.51Å; E325-W374 HydrophobicContact CG-CZ3 3.89Å
326	S	87.3	Confident	90.8	Very high	47 Å²	47	43.5 Å²	43.5	33%	0.329	22%	0.216	S	C	.	.	H	α-helix	trans	-63.7	-33.4	177.4	-61.6	0	0	0	0	112.2	S322 S323 A324 R330	S322-S326 PolarHBondContact O-N 2.93Å; S322-S326 VanDerWaalsContact O-N 3.16Å; S322-S326 PolarHBondContact O-OG 2.9Å; S323-S326 WeakPolarHBondContact O-CB 3.47Å; S323-S326 PolarHBondContact O-N 3.23Å; A324-S326 VanDerWaalsContact C-N 3.31Å; A324-S326 PolarHBondContact O-N 3.49Å; S326-R330 WeakPolarHBondContact O-CB 3.19Å; S326-R330 WeakPolarHBondContact O-CG 3.39Å; S326-R330 PolarHBondContact O-N 2.89Å
327	Y	91.2	Very high	90.8	Very high	31 Å²	31	49.9 Å²	49.9	12%	0.122	24%	0.244	C	C	.	.	H	α-helix	trans	-65.1	-53.8	174.3	170.5	-101	0	0	0	111.2	S323 A324 E325 K329 R330 M331 F370 F428 S429	S323-Y327 PolarHBondContact O-N 3.17Å; A324-Y327 WeakPolarHBondContact O-CB 3.48Å; A324-Y327 PolarHBondContact O-N 3.26Å; A324-Y327 VanDerWaalsContact O-N 3.11Å; E325-Y327 VanDerWaalsContact C-N 3.26Å; E325-Y327 PolarHBondContact O-N 3.19Å; Y327-K329 PolarHBondContact O-N 2.93Å; Y327-R330 PolarHBondContact O-N 3.42Å; Y327-M331 HydrophobicContact CD1-CG 4.47Å; Y327-M331 HydrophobicContact CD2-CG 4.19Å; Y327-M331 HydrophobicContact CE1-CG 4.09Å; Y327-M331 HydrophobicContact CE2-CG 3.76Å; Y327-M331 HydrophobicContact CE2-SD 4.04Å; Y327-M331 WeakPolarHBondContact O-CG 3.19Å; Y327-M331 PolarHBondContact O-N 3.3Å; Y327-F370 HydrophobicContact CE1-CE1 4.11Å; Y327-F428 HydrophobicContact CD1-CD2 4.36Å; Y327-F428 AromaticContact CD1-CE2 3.98Å; Y327-F428 HydrophobicContact CD1-CE2 3.98Å; Y327-F428 AromaticContact CE1-CD2 3.71Å; Y327-F428 HydrophobicContact CE1-CD2 3.71Å; Y327-F428 AromaticContact CE1-CE2 3.61Å; Y327-F428 HydrophobicContact CE1-CE2 3.61Å; Y327-S429 VanDerWaalsContact CD2-CB 3.49Å; Y327-S429 VanDerWaalsContact CD2-OG 3.22Å; Y327-S429 WeakPolarHBondContact CD2-OG 3.38Å
328	F	93.7	Very high	90.6	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62.2	-45.1	-179.4	-77.1	-79.2	0	0	0	112.2	L305 V318 A324 E325 R330 M331 V332 F370 M373 W374 M377 I405 F428	L305-F328 HydrophobicContact CD1-CZ 4.17Å; V318-F328 HydrophobicContact CG1-CD2 3.72Å; V318-F328 HydrophobicContact CG1-CE2 3.71Å; A324-F328 VanDerWaalsContact O-CD2 3.24Å; A324-F328 WeakPolarHBondContact O-CD2 3.18Å; A324-F328 PolarHBondContact O-N 2.76Å; E325-F328 PolarHBondContact O-N 2.83Å; F328-R330 VanDerWaalsContact C-N 3.31Å; F328-R330 PolarHBondContact O-N 3.31Å; F328-M331 PolarHBondContact O-N 2.93Å; F328-M331 VanDerWaalsContact O-N 3.15Å; F328-V332 VanDerWaalsContact O-CG2 3.25Å; F328-V332 WeakPolarHBondContact O-CG2 3.4Å; F328-V332 PolarHBondContact O-N 3.49Å; F328-F370 AromaticContact CD1-CD1 3.9Å; F328-F370 HydrophobicContact CD1-CD1 3.9Å; F328-F370 AromaticContact CE1-CD1 3.92Å; F328-F370 HydrophobicContact CE1-CD1 3.92Å; F328-F370 HydrophobicContact CE1-CE1 4.25Å; F328-M373 HydrophobicContact CE1-CE 3.95Å; F328-M373 HydrophobicContact CE1-SD 4.22Å; F328-M373 HydrophobicContact CZ-CE 4.36Å; F328-W374 HydrophobicContact CB-CE3 3.64Å; F328-W374 HydrophobicContact CB-CZ3 4.04Å; F328-M377 HydrophobicContact CD1-CE 3.93Å; F328-M377 HydrophobicContact CD2-CE 4.01Å; F328-M377 HydrophobicContact CD2-SD 4.28Å; F328-M377 HydrophobicContact CE1-CE 3.67Å; F328-M377 HydrophobicContact CE2-CE 3.77Å; F328-M377 HydrophobicContact CG-CE 4.12Å; F328-M377 HydrophobicContact CG-SD 4.3Å; F328-M377 HydrophobicContact CZ-CE 3.6Å; F328-I405 HydrophobicContact CE2-CD1 4.1Å; F328-I405 HydrophobicContact CE2-CG2 4.09Å; F328-I405 HydrophobicContact CZ-CD1 3.89Å; F328-F428 HydrophobicContact CE2-CE2 4.4Å; F328-F428 HydrophobicContact CZ-CE2 4.19Å; F328-F428 HydrophobicContact CZ-CZ 4.27Å
329	K	92.3	Very high	90.3	Very high	87 Å²	87	60.4 Å²	60.4	38%	0.378	29%	0.288	S	S	.	.	H	α-helix	trans	-56.2	-44.5	176	-75.9	-177.4	-179.7	168.6	0	112.5	E325 Y327 V332 E333 W374	E325-K329 HydrophobicContact CG-CD 4.44Å; E325-K329 WeakPolarHBondContact O-CG 3.43Å; E325-K329 PolarHBondContact O-N 2.64Å; E325-K329 WeakPolarHBondContact OE1-CE 3.29Å; E325-K329 IonicContact OE1-NZ 3.74Å; E325-K329 PolarHBondContact OE1-NZ 3.1Å; E325-K329 IonicContact OE2-NZ 2.61Å; Y327-K329 PolarHBondContact O-N 2.93Å; K329-V332 PolarHBondContact O-N 2.85Å; K329-E333 WeakPolarHBondContact O-CG 3.38Å; K329-E333 PolarHBondContact O-N 3.49Å; K329-W374 HydrophobicContact CD-CH2 4.19Å; K329-W374 HydrophobicContact CD-CZ2 4.06Å; K329-W374 VanDerWaalsContact CE-CH2 3.46Å; K329-W374 HydrophobicContact CG-CH2 3.67Å; K329-W374 HydrophobicContact CG-CZ2 3.52Å; K329-W374 HydrophobicContact CG-CZ3 4.24Å
330	R	90.8	Very high	90.3	Very high	90 Å²	90	63.1 Å²	63.1	34%	0.34	30%	0.302	S	S	.	.	H	α-helix	trans	-66.5	-39.8	177.9	-74.5	177.4	-173	-161.9	5.3	112.2	L157 S326 Y327 F328 V332 E333 V334	L157-R330 VanDerWaalsContact CD2-NH2 3.35Å; S326-R330 WeakPolarHBondContact O-CB 3.19Å; S326-R330 WeakPolarHBondContact O-CG 3.39Å; S326-R330 PolarHBondContact O-N 2.89Å; Y327-R330 PolarHBondContact O-N 3.42Å; F328-R330 VanDerWaalsContact C-N 3.31Å; F328-R330 PolarHBondContact O-N 3.31Å; R330-V332 VanDerWaalsContact C-N 3.32Å; R330-E333 PolarHBondContact O-N 2.9Å; R330-V334 WeakPolarHBondContact O-CB 3.4Å; R330-V334 WeakPolarHBondContact O-CG2 3.03Å; R330-V334 PolarHBondContact O-N 3.39Å
331	M	93.8	Very high	90.3	Very high	52 Å²	52	59.2 Å²	59.2	26%	0.256	29%	0.293	S	S	.	.	H	α-helix	trans	-63.3	-41.4	176.7	-70.6	-54.1	-63.6	0	0	111.3	Y327 F328 V334 E335 F370	Y327-M331 HydrophobicContact CD1-CG 4.47Å; Y327-M331 HydrophobicContact CD2-CG 4.19Å; Y327-M331 HydrophobicContact CE1-CG 4.09Å; Y327-M331 HydrophobicContact CE2-CG 3.76Å; Y327-M331 HydrophobicContact CE2-SD 4.04Å; Y327-M331 WeakPolarHBondContact O-CG 3.19Å; Y327-M331 PolarHBondContact O-N 3.3Å; F328-M331 PolarHBondContact O-N 2.93Å; F328-M331 VanDerWaalsContact O-N 3.15Å; M331-V334 PolarHBondContact O-N 3.06Å; M331-E335 WeakPolarHBondContact O-CG 3.03Å; M331-E335 PolarHBondContact O-N 2.86Å; M331-F370 HydrophobicContact CB-CB 3.83Å; M331-F370 HydrophobicContact CB-CD1 3.88Å; M331-F370 HydrophobicContact CB-CD2 3.85Å; M331-F370 HydrophobicContact CB-CE1 4.42Å; M331-F370 HydrophobicContact CB-CE2 4.43Å; M331-F370 HydrophobicContact CB-CG 3.57Å; M331-F370 HydrophobicContact CE-CD2 3.66Å; M331-F370 HydrophobicContact CE-CE2 3.31Å; M331-F370 HydrophobicContact CE-CG 4.46Å; M331-F370 HydrophobicContact CE-CZ 3.83Å; M331-F370 HydrophobicContact CG-CD1 4.2Å; M331-F370 HydrophobicContact CG-CD2 4.36Å; M331-F370 HydrophobicContact CG-CE1 4.27Å; M331-F370 HydrophobicContact CG-CE2 4.46Å; M331-F370 HydrophobicContact CG-CG 4.26Å; M331-F370 HydrophobicContact CG-CZ 4.41Å
332	V	94.7	Very high	90.5	Very high	13 Å²	13	59.3 Å²	59.3	8%	0.079	28%	0.283	C	S	.	.	H	α-helix	trans	-61.7	-48.7	174	173.4	0	0	0	0	111.5	F328 K329 R330 V334 E335 Y336 F370 W374	F328-V332 VanDerWaalsContact O-CG2 3.25Å; F328-V332 WeakPolarHBondContact O-CG2 3.4Å; F328-V332 PolarHBondContact O-N 3.49Å; K329-V332 PolarHBondContact O-N 2.85Å; R330-V332 VanDerWaalsContact C-N 3.32Å; V332-V334 PolarHBondContact O-N 3Å; V332-E335 PolarHBondContact O-N 2.98Å; V332-Y336 HydrophobicContact CG1-CD2 3.59Å; V332-Y336 HydrophobicContact CG1-CE2 3.33Å; V332-Y336 WeakPolarHBondContact O-CD2 3.24Å; V332-Y336 PolarHBondContact O-N 3.25Å; V332-F370 HydrophobicContact CG2-CB 4.2Å; V332-F370 WeakPolarHBondContact CG2-O 3.31Å; V332-W374 HydrophobicContact CG2-CB 3.53Å; V332-W374 HydrophobicContact CG2-CG 3.9Å
333	E	92.4	Very high	90.6	Very high	108 Å²	108	61.6 Å²	61.6	51%	0.505	29%	0.291	S	S	.	.	H	α-helix	trans	-58.9	-36.1	176	-75.2	175.5	-159.8	0	0	112.6	K329 R330 K337	K329-E333 WeakPolarHBondContact O-CG 3.38Å; K329-E333 PolarHBondContact O-N 3.49Å; R330-E333 PolarHBondContact O-N 2.9Å; E333-K337 WeakPolarHBondContact O-CB 3.19Å; E333-K337 VanDerWaalsContact O-CG 3.29Å; E333-K337 WeakPolarHBondContact O-CG 3.48Å; E333-K337 PolarHBondContact O-N 3.37Å
334	V	93	Very high	90.8	Very high	61 Å²	61	64.6 Å²	64.6	37%	0.37	30%	0.304	S	S	.	.	H	α-helix	trans	-70.1	-45.2	177.1	168.2	0	0	0	0	110.8	R330 M331 V332 Y336 K337 F338	R330-V334 WeakPolarHBondContact O-CB 3.4Å; R330-V334 WeakPolarHBondContact O-CG2 3.03Å; R330-V334 PolarHBondContact O-N 3.39Å; M331-V334 PolarHBondContact O-N 3.06Å; V332-V334 PolarHBondContact O-N 3Å; V334-Y336 PolarHBondContact O-N 3.18Å; V334-K337 PolarHBondContact O-N 3.29Å; V334-F338 HydrophobicContact CG1-CD2 3.57Å; V334-F338 HydrophobicContact CG1-CE2 3.38Å; V334-F338 WeakPolarHBondContact O-CD2 3.38Å; V334-F338 PolarHBondContact O-N 2.91Å
335	E	93.4	Very high	90.5	Very high	14 Å²	14	69.4 Å²	69.4	7%	0.065	33%	0.328	C	S	.	.	H	α-helix	trans	-56.3	-49.6	173.9	-76.7	-176.9	166.4	0	0	111.2	M331 V332 K337 F338 Y339 Q369 F370 T371	M331-E335 WeakPolarHBondContact O-CG 3.03Å; M331-E335 PolarHBondContact O-N 2.86Å; V332-E335 PolarHBondContact O-N 2.98Å; E335-K337 VanDerWaalsContact C-N 3.33Å; E335-K337 PolarHBondContact O-N 3.39Å; E335-F338 PolarHBondContact O-N 3.45Å; E335-F338 VanDerWaalsContact O-N 3.17Å; E335-Y339 PolarHBondContact O-N 2.84Å; E335-Q369 PolarHBondContact OE1-N 3.28Å; E335-Q369 VanDerWaalsContact OE1-N 3.1Å; E335-F370 WeakPolarHBondContact OE1-CB 3.43Å; E335-F370 WeakPolarHBondContact OE1-CD2 3.27Å; E335-F370 PolarHBondContact OE1-N 3Å; E335-F370 PolarHBondContact OE2-N 3.07Å; E335-T371 WeakPolarHBondContact OE2-CB 3.47Å; E335-T371 PolarHBondContact OE2-N 3.11Å; E335-T371 PolarHBondContact OE2-OG1 2.85Å
336	Y	92.5	Very high	90	Very high	125 Å²	125	69.9 Å²	69.9	49%	0.49	34%	0.336	S	S	.	.	H	α-helix	trans	-58.9	-42.3	176.5	-79.4	-61.7	0	0	0	112.7	V332 V334 F338 Y339 D340 T371	V332-Y336 HydrophobicContact CG1-CD2 3.59Å; V332-Y336 HydrophobicContact CG1-CE2 3.33Å; V332-Y336 WeakPolarHBondContact O-CD2 3.24Å; V332-Y336 PolarHBondContact O-N 3.25Å; V334-Y336 PolarHBondContact O-N 3.18Å; Y336-F338 PolarHBondContact O-N 3.27Å; Y336-Y339 WeakPolarHBondContact O-CB 3.36Å; Y336-Y339 PolarHBondContact O-N 3.21Å; Y336-D340 PolarHBondContact O-N 3.05Å; Y336-T371 HydrophobicContact CE2-CG2 4.26Å; Y336-T371 WeakPolarHBondContact OH-CG2 3.46Å
337	K	93.1	Very high	89.7	Confident	140 Å²	140	74 Å²	74	61%	0.609	35%	0.354	S	S	*	.	H	α-helix	trans	-64.7	-38.6	176.7	-78.2	174.7	-177.8	171.6	0	112.6	E333 V334 E335 Y339 A341	E333-K337 WeakPolarHBondContact O-CB 3.19Å; E333-K337 VanDerWaalsContact O-CG 3.29Å; E333-K337 WeakPolarHBondContact O-CG 3.48Å; E333-K337 PolarHBondContact O-N 3.37Å; V334-K337 PolarHBondContact O-N 3.29Å; E335-K337 VanDerWaalsContact C-N 3.33Å; E335-K337 PolarHBondContact O-N 3.39Å; K337-Y339 VanDerWaalsContact C-N 3.35Å; K337-A341 VanDerWaalsContact O-CB 3.27Å; K337-A341 WeakPolarHBondContact O-CB 3.45Å; K337-A341 PolarHBondContact O-N 3.41Å
338	F	91.3	Very high	89.3	Confident	126 Å²	126	76.2 Å²	76.2	55%	0.553	37%	0.368	S	S	*	.	H	α-helix	trans	-66.3	-39.6	174.4	-83	-67	0	0	0	111.5	V334 E335 Y336 W342 Y364	V334-F338 HydrophobicContact CG1-CD2 3.57Å; V334-F338 HydrophobicContact CG1-CE2 3.38Å; V334-F338 WeakPolarHBondContact O-CD2 3.38Å; V334-F338 PolarHBondContact O-N 2.91Å; E335-F338 PolarHBondContact O-N 3.45Å; E335-F338 VanDerWaalsContact O-N 3.17Å; Y336-F338 PolarHBondContact O-N 3.27Å; F338-W342 VanDerWaalsContact O-CB 3.26Å; F338-W342 WeakPolarHBondContact O-CB 3.25Å; F338-W342 PolarHBondContact O-N 3.31Å; F338-Y364 WeakPolarHBondContact CB-OH 3.42Å
339	Y	89.9	Confident	88.6	Confident	95 Å²	95	80.3 Å²	80.3	37%	0.373	40%	0.402	S	S	.	.	H	α-helix	trans	-62.1	-48.1	175.4	176.8	-97.2	0	0	0	111.5	E335 Y336 K337 W342 K343 Y364	E335-Y339 PolarHBondContact O-N 2.84Å; Y336-Y339 WeakPolarHBondContact O-CB 3.36Å; Y336-Y339 PolarHBondContact O-N 3.21Å; K337-Y339 VanDerWaalsContact C-N 3.35Å; Y339-W342 HydrophobicContact CD2-CE3 4.48Å; Y339-W342 HydrophobicContact CE2-CE3 4.47Å; Y339-W342 HydrophobicContact CE2-CZ3 4.33Å; Y339-W342 PolarHBondContact O-N 2.95Å; Y339-K343 HydrophobicContact CE1-CD 4.27Å; Y339-K343 VanDerWaalsContact O-CB 3.27Å; Y339-K343 WeakPolarHBondContact O-CB 3.28Å; Y339-K343 PolarHBondContact O-N 3.03Å; Y339-Y364 HydrophobicContact CD2-CD1 4.21Å; Y339-Y364 HydrophobicContact CD2-CD2 4.16Å; Y339-Y364 HydrophobicContact CD2-CE1 4.33Å; Y339-Y364 HydrophobicContact CD2-CE2 4.32Å; Y339-Y364 HydrophobicContact CD2-CG 4.14Å; Y339-Y364 PolarHBondContact N-OH 3.21Å
340	D	90.4	Very high	88.3	Confident	70 Å²	70	81.4 Å²	81.4	37%	0.374	42%	0.42	S	S	.	.	H	α-helix	trans	-63.5	-44.6	177.9	-79.1	-24	0	0	0	112	Y336 W342 K343 D344	Y336-D340 PolarHBondContact O-N 3.05Å; D340-W342 VanDerWaalsContact C-N 3.32Å; D340-W342 PolarHBondContact O-N 3.11Å; D340-K343 WeakPolarHBondContact O-CB 3.44Å; D340-K343 PolarHBondContact O-N 3.08Å; D340-K343 IonicContact OD1-NZ 3.45Å; D340-K343 PolarHBondContact OD1-NZ 3.36Å; D340-D344 WeakPolarHBondContact O-CB 3.39Å; D340-D344 VanDerWaalsContact O-CG 3.29Å; D340-D344 PolarHBondContact O-N 3.11Å
341	A	88.4	Confident	87.9	Confident	45 Å²	45	78.4 Å²	78.4	37%	0.372	41%	0.412	S	S	.	.	H	α-helix	trans	-61.1	-41.6	176	0	0	0	0	0	111.9	K337 D344 M345	K337-A341 VanDerWaalsContact O-CB 3.27Å; K337-A341 WeakPolarHBondContact O-CB 3.45Å; K337-A341 PolarHBondContact O-N 3.41Å; A341-D344 PolarHBondContact O-N 3.27Å; A341-M345 VanDerWaalsContact O-CG 3.29Å; A341-M345 WeakPolarHBondContact O-CG 3.36Å; A341-M345 PolarHBondContact O-N 3.46Å
342	W	86.2	Confident	87.5	Confident	66 Å²	66	79.2 Å²	79.2	25%	0.25	42%	0.421	C	S	.	.	H	α-helix	trans	-65	-45	176.1	174.7	79.4	0	0	0	112.3	F338 Y339 D340 D344 M345 G346 Y364	F338-W342 VanDerWaalsContact O-CB 3.26Å; F338-W342 WeakPolarHBondContact O-CB 3.25Å; F338-W342 PolarHBondContact O-N 3.31Å; Y339-W342 HydrophobicContact CD2-CE3 4.48Å; Y339-W342 HydrophobicContact CE2-CE3 4.47Å; Y339-W342 HydrophobicContact CE2-CZ3 4.33Å; Y339-W342 PolarHBondContact O-N 2.95Å; D340-W342 VanDerWaalsContact C-N 3.32Å; D340-W342 PolarHBondContact O-N 3.11Å; W342-D344 VanDerWaalsContact C-N 3.33Å; W342-D344 PolarHBondContact O-N 3.37Å; W342-M345 HydrophobicContact CB-CE 4.43Å; W342-M345 PolarHBondContact O-N 2.95Å; W342-G346 PolarHBondContact O-N 2.83Å; W342-Y364 HydrophobicContact CB-CD2 4.24Å; W342-Y364 HydrophobicContact CB-CE2 3.84Å; W342-Y364 AromaticContact CD2-CD2 3.55Å; W342-Y364 HydrophobicContact CD2-CD2 3.55Å; W342-Y364 HydrophobicContact CD2-CE2 4.1Å; W342-Y364 AromaticContact CE3-CD2 3.5Å; W342-Y364 HydrophobicContact CE3-CD2 3.5Å; W342-Y364 HydrophobicContact CE3-CE2 4.19Å; W342-Y364 HydrophobicContact CE3-CG 4.36Å; W342-Y364 AromaticContact CG-CD2 3.88Å; W342-Y364 HydrophobicContact CG-CD2 3.88Å; W342-Y364 AromaticContact CG-CE2 3.95Å; W342-Y364 HydrophobicContact CG-CE2 3.95Å; W342-Y364 HydrophobicContact CZ3-CD2 4.03Å; W342-Y364 HydrophobicContact CZ3-CG 4.5Å
343	K	85.2	Confident	87	Confident	72 Å²	72	83.2 Å²	83.2	31%	0.313	45%	0.447	S	S	.	.	H	α-helix	trans	-58.2	-45.6	175.5	-179.6	-174.4	75.1	-159.7	0	111.2	Y339 D340 G346 L347	Y339-K343 HydrophobicContact CE1-CD 4.27Å; Y339-K343 VanDerWaalsContact O-CB 3.27Å; Y339-K343 WeakPolarHBondContact O-CB 3.28Å; Y339-K343 PolarHBondContact O-N 3.03Å; D340-K343 WeakPolarHBondContact O-CB 3.44Å; D340-K343 PolarHBondContact O-N 3.08Å; D340-K343 IonicContact OD1-NZ 3.45Å; D340-K343 PolarHBondContact OD1-NZ 3.36Å; K343-G346 PolarHBondContact O-N 3.28Å; K343-L347 HydrophobicContact CG-CD1 3.76Å; K343-L347 WeakPolarHBondContact O-CB 3.49Å; K343-L347 WeakPolarHBondContact O-CG 3.45Å; K343-L347 PolarHBondContact O-N 3.26Å
344	D	86.8	Confident	86.7	Confident	100 Å²	100	84 Å²	84	54%	0.535	45%	0.454	S	S	.	.	H	α-helix	trans	-65.1	-41.6	178.1	-72.5	-10.2	0	0	0	111.3	D340 A341 W342 G346 L347 N348	D340-D344 WeakPolarHBondContact O-CB 3.39Å; D340-D344 VanDerWaalsContact O-CG 3.29Å; D340-D344 PolarHBondContact O-N 3.11Å; A341-D344 PolarHBondContact O-N 3.27Å; W342-D344 VanDerWaalsContact C-N 3.33Å; W342-D344 PolarHBondContact O-N 3.37Å; D344-G346 VanDerWaalsContact C-N 3.31Å; D344-G346 PolarHBondContact O-N 2.88Å; D344-L347 PolarHBondContact O-N 2.79Å; D344-N348 WeakPolarHBondContact O-CB 3.23Å; D344-N348 PolarHBondContact O-N 3.01Å
345	M	82.6	Confident	86.2	Confident	101 Å²	101	86.2 Å²	86.2	50%	0.498	46%	0.461	S	S	.	.	H	α-helix	trans	-60.4	-39	174.7	-75.3	-173.3	-65.9	0	0	112.6	A341 W342 L359	A341-M345 VanDerWaalsContact O-CG 3.29Å; A341-M345 WeakPolarHBondContact O-CG 3.36Å; A341-M345 PolarHBondContact O-N 3.46Å; W342-M345 HydrophobicContact CB-CE 4.43Å; W342-M345 PolarHBondContact O-N 2.95Å; M345-L359 HydrophobicContact CB-CD1 4.41Å
346	G	80.4	Confident	85.7	Confident	25 Å²	25	89.7 Å²	89.7	26%	0.258	47%	0.473	S	S	.	.	H	α-helix	trans	-75.4	-32.7	178.6	0	0	0	0	0	114.4	W342 K343 D344 R356	W342-G346 PolarHBondContact O-N 2.83Å; K343-G346 PolarHBondContact O-N 3.28Å; D344-G346 VanDerWaalsContact C-N 3.31Å; D344-G346 PolarHBondContact O-N 2.88Å; G346-R356 WeakPolarHBondContact O-CG 3.21Å
347	L	81.6	Confident	85.2	Confident	132 Å²	132	86.8 Å²	86.8	69%	0.691	48%	0.475	S	S	*	.	H	α-helix	trans	-101.5	-8.9	-173.2	-63.5	179.2	0	0	0	114.6	K343 D344 A349	K343-L347 HydrophobicContact CG-CD1 3.76Å; K343-L347 WeakPolarHBondContact O-CB 3.49Å; K343-L347 WeakPolarHBondContact O-CG 3.45Å; K343-L347 PolarHBondContact O-N 3.26Å; D344-L347 PolarHBondContact O-N 2.79Å; L347-A349 PolarHBondContact O-N 2.66Å
348	N	83.5	Confident	84.8	Confident	79 Å²	79	87.5 Å²	87.5	42%	0.422	48%	0.478	S	S	.	.			trans	-63.8	109.4	-177.1	-174.6	-5.8	0	0	0	111.5	D344 S350 T351	D344-N348 WeakPolarHBondContact O-CB 3.23Å; D344-N348 PolarHBondContact O-N 3.01Å; N348-S350 PolarHBondContact O-N 3.43Å; N348-S350 WeakPolarHBondContact OD1-CB 3.44Å; N348-S350 PolarHBondContact OD1-N 2.71Å; N348-T351 HydrophobicContact CB-CG2 4.07Å; N348-T351 PolarHBondContact O-N 3.11Å; N348-T351 VanDerWaalsContact O-N 3.11Å; N348-T351 PolarHBondContact O-OG1 3.22Å
349	A	79.2	Confident	84.3	Confident	85 Å²	85	85 Å²	85	70%	0.702	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-22.3	-177.5	0	0	0	0	0	113.5	L347 T351	L347-A349 PolarHBondContact O-N 2.66Å; A349-T351 VanDerWaalsContact C-N 3.26Å; A349-T351 PolarHBondContact O-N 3.03Å
350	S	85.1	Confident	83.6	Confident	110 Å²	110	83.9 Å²	83.9	77%	0.769	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-16.1	177.4	-57.7	0	0	0	0	113.5	N348	N348-S350 PolarHBondContact O-N 3.43Å; N348-S350 WeakPolarHBondContact OD1-CB 3.44Å; N348-S350 PolarHBondContact OD1-N 2.71Å
351	T	81.5	Confident	82.8	Confident	27 Å²	27	84.5 Å²	84.5	17%	0.166	49%	0.487	C	S	.	.	S	Bend	trans	-71.7	137.3	177.8	58.3	0	0	0	0	110.9	N348 A349 R356	N348-T351 HydrophobicContact CB-CG2 4.07Å; N348-T351 PolarHBondContact O-N 3.11Å; N348-T351 VanDerWaalsContact O-N 3.11Å; N348-T351 PolarHBondContact O-OG1 3.22Å; A349-T351 VanDerWaalsContact C-N 3.26Å; A349-T351 PolarHBondContact O-N 3.03Å; T351-R356 PolarHBondContact O-NH2 3.19Å; T351-R356 PolarHBondContact OG1-NE 3.14Å
352	P	86.6	Confident	81.8	Confident	69 Å²	69	94.2 Å²	94.2	45%	0.448	51%	0.514	S	S	.	.			trans	-53.8	140.7	173.6	-25.8	33.7	0	0	0	111.7	L354 E355 R356	P352-L354 PolarHBondContact O-N 2.78Å; P352-L354 VanDerWaalsContact O-N 3.07Å; P352-E355 HydrophobicContact CB-CG 4.48Å; P352-E355 WeakPolarHBondContact CD-OE2 3.47Å; P352-E355 PolarHBondContact O-N 2.99Å; P352-R356 PolarHBondContact O-N 3.17Å
353	P	84.3	Confident	81.5	Confident	97 Å²	97	97.2 Å²	97.2	63%	0.63	54%	0.535	S	S	*	.	H	α-helix	trans	-54.4	-34.6	-175.4	-27.8	34.3	0	0	0	114.5	A357	P353-A357 WeakPolarHBondContact O-CB 3.34Å; P353-A357 PolarHBondContact O-N 3.37Å
354	L	85	Confident	81.3	Confident	124 Å²	124	95.7 Å²	95.7	65%	0.649	53%	0.528	S	S	*	.	H	α-helix	trans	-69.2	-39	178.4	-175.9	65.7	0	0	0	112.6	P352 K358	P352-L354 PolarHBondContact O-N 2.78Å; P352-L354 VanDerWaalsContact O-N 3.07Å; L354-K358 WeakPolarHBondContact O-CG 3.26Å; L354-K358 PolarHBondContact O-N 3.48Å
355	E	83.3	Confident	80.9	Confident	108 Å²	108	95.4 Å²	95.4	51%	0.505	53%	0.531	S	S	.	.	H	α-helix	trans	-71.7	-41	177.2	-69.6	-173.4	166.4	0	0	111	P352 A357 K358 L359	P352-E355 HydrophobicContact CB-CG 4.48Å; P352-E355 WeakPolarHBondContact CD-OE2 3.47Å; P352-E355 PolarHBondContact O-N 2.99Å; E355-A357 VanDerWaalsContact C-N 3.29Å; E355-A357 PolarHBondContact O-N 3.32Å; E355-K358 WeakPolarHBondContact O-CB 3.19Å; E355-K358 PolarHBondContact O-N 3.22Å; E355-L359 WeakPolarHBondContact O-CG 3.22Å; E355-L359 PolarHBondContact O-N 2.95Å; E355-L359 VanDerWaalsContact O-N 3.1Å
356	R	82.5	Confident	80.9	Confident	87 Å²	87	93.7 Å²	93.7	33%	0.328	53%	0.527	S	S	.	.	H	α-helix	trans	-58.8	-41.5	173.3	-156.8	-173.5	-43.4	130.8	4	112.1	G346 T351 P352 K358 L359 A360	G346-R356 WeakPolarHBondContact O-CG 3.21Å; T351-R356 PolarHBondContact O-NH2 3.19Å; T351-R356 PolarHBondContact OG1-NE 3.14Å; P352-R356 PolarHBondContact O-N 3.17Å; R356-K358 VanDerWaalsContact C-N 3.29Å; R356-K358 PolarHBondContact O-N 2.99Å; R356-L359 CarbonylContact O-C 3.49Å; R356-L359 PolarHBondContact O-N 3.08Å; R356-L359 VanDerWaalsContact O-N 3.14Å; R356-A360 PolarHBondContact O-N 3.14Å; R356-A360 VanDerWaalsContact O-N 3.08Å
357	A	83	Confident	81	Confident	65 Å²	65	96.1 Å²	96.1	54%	0.537	54%	0.539	S	S	.	.	H	α-helix	trans	-64.7	-31.3	175.2	0	0	0	0	0	113	P353 E355 L359 A360	P353-A357 WeakPolarHBondContact O-CB 3.34Å; P353-A357 PolarHBondContact O-N 3.37Å; E355-A357 VanDerWaalsContact C-N 3.29Å; E355-A357 PolarHBondContact O-N 3.32Å; A357-L359 VanDerWaalsContact C-N 3.31Å; A357-A360 PolarHBondContact O-N 3.1Å
358	K	84.1	Confident	81.2	Confident	154 Å²	154	93.1 Å²	93.1	67%	0.67	52%	0.524	S	S	*	.	H	α-helix	trans	-70.9	-28.2	173.1	-70	173.6	-178.6	179.5	0	112.7	L354 E355 R356	L354-K358 WeakPolarHBondContact O-CG 3.26Å; L354-K358 PolarHBondContact O-N 3.48Å; E355-K358 WeakPolarHBondContact O-CB 3.19Å; E355-K358 PolarHBondContact O-N 3.22Å; R356-K358 VanDerWaalsContact C-N 3.29Å; R356-K358 PolarHBondContact O-N 2.99Å
359	L	80.7	Confident	81.6	Confident	73 Å²	73	91.3 Å²	91.3	38%	0.382	51%	0.513	S	S	.	.	H	α-helix	trans	-86.3	-10.1	177.5	-64.8	171.6	0	0	0	112.9	M345 E355 R356 A357 V361	M345-L359 HydrophobicContact CB-CD1 4.41Å; E355-L359 WeakPolarHBondContact O-CG 3.22Å; E355-L359 PolarHBondContact O-N 2.95Å; E355-L359 VanDerWaalsContact O-N 3.1Å; R356-L359 CarbonylContact O-C 3.49Å; R356-L359 PolarHBondContact O-N 3.08Å; R356-L359 VanDerWaalsContact O-N 3.14Å; A357-L359 VanDerWaalsContact C-N 3.31Å; L359-V361 PolarHBondContact O-N 3.45Å
360	A	75.8	Confident	82.3	Confident	73 Å²	73	88.4 Å²	88.4	60%	0.603	49%	0.485	S	S	*	.			trans	-71.3	92.9	176.3	0	0	0	0	0	110.2	R356 A357	R356-A360 PolarHBondContact O-N 3.14Å; R356-A360 VanDerWaalsContact O-N 3.08Å; A357-A360 PolarHBondContact O-N 3.1Å
361	V	72.6	Confident	82.7	Confident	82 Å²	82	84.1 Å²	84.1	50%	0.497	45%	0.454	S	S	.	.			trans	-101.4	141.9	169.3	-171.4	0	0	0	0	108.1	L359 D363	L359-V361 PolarHBondContact O-N 3.45Å; V361-D363 VanDerWaalsContact C-N 3.3Å; V361-D363 WeakPolarHBondContact CG1-O 3.27Å; V361-D363 PolarHBondContact O-N 3.42Å
362	W	68.6	Low	83.2	Confident	250 Å²	250	87.8 Å²	87.8	95%	0.947	47%	0.472	S	S	*	.	S	Bend	trans	-68.1	-30.8	-178.7	-64.6	104.2	0	0	0	113.1
363	D	79.1	Confident	83.6	Confident	128 Å²	128	84.5 Å²	84.5	68%	0.684	45%	0.451	S	S	*	.	S	Bend	trans	-129.4	149.3	-177.9	-61.6	-50.2	0	0	0	110.9	V361	V361-D363 VanDerWaalsContact C-N 3.3Å; V361-D363 WeakPolarHBondContact CG1-O 3.27Å; V361-D363 PolarHBondContact O-N 3.42Å
364	Y	81.5	Confident	84.1	Confident	40 Å²	40	81.8 Å²	81.8	16%	0.157	43%	0.428	C	S	.	.			trans	-62.8	125.7	172.1	179.8	-126	0	0	0	109.6	F338 Y339 W342 V366	F338-Y364 WeakPolarHBondContact CB-OH 3.42Å; Y339-Y364 HydrophobicContact CD2-CD1 4.21Å; Y339-Y364 HydrophobicContact CD2-CD2 4.16Å; Y339-Y364 HydrophobicContact CD2-CE1 4.33Å; Y339-Y364 HydrophobicContact CD2-CE2 4.32Å; Y339-Y364 HydrophobicContact CD2-CG 4.14Å; Y339-Y364 PolarHBondContact N-OH 3.21Å; W342-Y364 HydrophobicContact CB-CD2 4.24Å; W342-Y364 HydrophobicContact CB-CE2 3.84Å; W342-Y364 AromaticContact CD2-CD2 3.55Å; W342-Y364 HydrophobicContact CD2-CD2 3.55Å; W342-Y364 HydrophobicContact CD2-CE2 4.1Å; W342-Y364 AromaticContact CE3-CD2 3.5Å; W342-Y364 HydrophobicContact CE3-CD2 3.5Å; W342-Y364 HydrophobicContact CE3-CE2 4.19Å; W342-Y364 HydrophobicContact CE3-CG 4.36Å; W342-Y364 AromaticContact CG-CD2 3.88Å; W342-Y364 HydrophobicContact CG-CD2 3.88Å; W342-Y364 AromaticContact CG-CE2 3.95Å; W342-Y364 HydrophobicContact CG-CE2 3.95Å; W342-Y364 HydrophobicContact CZ3-CD2 4.03Å; W342-Y364 HydrophobicContact CZ3-CG 4.5Å; Y364-V366 VanDerWaalsContact C-N 3.29Å; Y364-V366 HydrophobicContact CD1-CB 4.35Å; Y364-V366 WeakPolarHBondContact CD1-O 3.48Å; Y364-V366 HydrophobicContact CE1-CB 3.63Å; Y364-V366 HydrophobicContact CE1-CG1 4.48Å; Y364-V366 WeakPolarHBondContact CE1-O 3.5Å; Y364-V366 HydrophobicContact CE2-CB 4.39Å; Y364-V366 HydrophobicContact CE2-CG2 4.44Å; Y364-V366 PolarHBondContact O-N 3.38Å
365	P	77.1	Confident	84.6	Confident	94 Å²	94	81 Å²	81	61%	0.61	42%	0.421	S	S	*	.	S	Bend	trans	-78.9	-7.1	-169.1	29.8	-36.5	0	0	0	114.6
366	V	83.3	Confident	85.1	Confident	66 Å²	66	77.5 Å²	77.5	40%	0.4	40%	0.404	S	S	.	.	S	Bend	trans	-109.5	138.2	-178.8	-174.7	0	0	0	0	108.8	Y364	Y364-V366 VanDerWaalsContact C-N 3.29Å; Y364-V366 HydrophobicContact CD1-CB 4.35Å; Y364-V366 WeakPolarHBondContact CD1-O 3.48Å; Y364-V366 HydrophobicContact CE1-CB 3.63Å; Y364-V366 HydrophobicContact CE1-CG1 4.48Å; Y364-V366 WeakPolarHBondContact CE1-O 3.5Å; Y364-V366 HydrophobicContact CE2-CB 4.39Å; Y364-V366 HydrophobicContact CE2-CG2 4.44Å; Y364-V366 PolarHBondContact O-N 3.38Å
367	S	82.4	Confident	85.7	Confident	75 Å²	75	73.4 Å²	73.4	52%	0.524	39%	0.388	S	S	.	.			trans	-73.4	133.1	177.8	56	0	0	0	0	111.4	Q369	S367-Q369 PolarHBondContact O-N 3.03Å
368	D	87	Confident	86.2	Confident	70 Å²	70	74.7 Å²	74.7	37%	0.374	38%	0.383	S	S	.	.			trans	-77.2	48.5	170.5	-59.7	-30.7	0	0	0	111.4	N372	D368-N372 WeakPolarHBondContact O-CB 3.29Å; D368-N372 VanDerWaalsContact O-CG 3.29Å; D368-N372 PolarHBondContact O-N 3.25Å; D368-N372 PolarHBondContact O-ND2 2.98Å
369	Q	91.4	Very high	86.7	Confident	41 Å²	41	73.8 Å²	73.8	19%	0.192	38%	0.381	C	S	.	.	H	α-helix	trans	-66.1	-52.4	-171.4	-178.9	-178.2	0.8	0	0	110.6	N306 S309 E335 S367 N372 M373	N306-Q369 PolarHBondContact OD1-NE2 3.04Å; S309-Q369 PolarHBondContact OG-NE2 2.91Å; S309-Q369 VanDerWaalsContact OG-NE2 3.11Å; E335-Q369 PolarHBondContact OE1-N 3.28Å; E335-Q369 VanDerWaalsContact OE1-N 3.1Å; S367-Q369 PolarHBondContact O-N 3.03Å; Q369-N372 PolarHBondContact O-N 2.82Å; Q369-M373 HydrophobicContact CG-SD 4.21Å; Q369-M373 VanDerWaalsContact O-CG 3.23Å; Q369-M373 WeakPolarHBondContact O-CG 3.13Å; Q369-M373 PolarHBondContact O-N 3.39Å
370	F	93.8	Very high	87.3	Confident	24 Å²	24	72 Å²	72	11%	0.105	37%	0.373	C	S	.	.	H	α-helix	trans	-72.3	-32.8	-174.7	-64.3	-77.1	0	0	0	112	L305 Y327 F328 M331 V332 E335 M373 W374	L305-F370 HydrophobicContact CD2-CE1 4.21Å; Y327-F370 HydrophobicContact CE1-CE1 4.11Å; F328-F370 AromaticContact CD1-CD1 3.9Å; F328-F370 HydrophobicContact CD1-CD1 3.9Å; F328-F370 AromaticContact CE1-CD1 3.92Å; F328-F370 HydrophobicContact CE1-CD1 3.92Å; F328-F370 HydrophobicContact CE1-CE1 4.25Å; M331-F370 HydrophobicContact CB-CB 3.83Å; M331-F370 HydrophobicContact CB-CD1 3.88Å; M331-F370 HydrophobicContact CB-CD2 3.85Å; M331-F370 HydrophobicContact CB-CE1 4.42Å; M331-F370 HydrophobicContact CB-CE2 4.43Å; M331-F370 HydrophobicContact CB-CG 3.57Å; M331-F370 HydrophobicContact CE-CD2 3.66Å; M331-F370 HydrophobicContact CE-CE2 3.31Å; M331-F370 HydrophobicContact CE-CG 4.46Å; M331-F370 HydrophobicContact CE-CZ 3.83Å; M331-F370 HydrophobicContact CG-CD1 4.2Å; M331-F370 HydrophobicContact CG-CD2 4.36Å; M331-F370 HydrophobicContact CG-CE1 4.27Å; M331-F370 HydrophobicContact CG-CE2 4.46Å; M331-F370 HydrophobicContact CG-CG 4.26Å; M331-F370 HydrophobicContact CG-CZ 4.41Å; V332-F370 HydrophobicContact CG2-CB 4.2Å; V332-F370 WeakPolarHBondContact CG2-O 3.31Å; E335-F370 WeakPolarHBondContact OE1-CB 3.43Å; E335-F370 WeakPolarHBondContact OE1-CD2 3.27Å; E335-F370 PolarHBondContact OE1-N 3Å; E335-F370 PolarHBondContact OE2-N 3.07Å; F370-M373 PolarHBondContact O-N 3.02Å; F370-W374 WeakPolarHBondContact O-CB 3.24Å; F370-W374 PolarHBondContact O-N 2.88Å
371	T	93.5	Very high	88.1	Confident	20 Å²	20	69.7 Å²	69.7	12%	0.123	36%	0.357	C	S	.	.	H	α-helix	trans	-61.2	-48.8	174.3	-60.8	0	0	0	0	111	E335 Y336 W374 Q375	E335-T371 WeakPolarHBondContact OE2-CB 3.47Å; E335-T371 PolarHBondContact OE2-N 3.11Å; E335-T371 PolarHBondContact OE2-OG1 2.85Å; Y336-T371 HydrophobicContact CE2-CG2 4.26Å; Y336-T371 WeakPolarHBondContact OH-CG2 3.46Å; T371-W374 PolarHBondContact O-N 3.34Å; T371-Q375 PolarHBondContact O-N 3.25Å
372	N	92.7	Very high	89.1	Confident	103 Å²	103	67.5 Å²	67.5	55%	0.551	34%	0.342	S	S	*	.	H	α-helix	trans	-64	-43.7	176.2	-73.2	-44	0	0	0	111.9	D368 Q369 W374 Q375 Y376	D368-N372 WeakPolarHBondContact O-CB 3.29Å; D368-N372 VanDerWaalsContact O-CG 3.29Å; D368-N372 PolarHBondContact O-N 3.25Å; D368-N372 PolarHBondContact O-ND2 2.98Å; Q369-N372 PolarHBondContact O-N 2.82Å; N372-W374 PolarHBondContact O-N 3.02Å; N372-Q375 PolarHBondContact O-N 2.95Å; N372-Y376 WeakPolarHBondContact O-CB 3.28Å; N372-Y376 PolarHBondContact O-N 3.19Å
373	M	94.3	Very high	90.3	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-61	-44.8	176.5	-71.8	-175.6	76.9	0	0	111.9	L305 S309 Y316 F328 Q369 F370 Y376 M377	L305-M373 HydrophobicContact CD1-CE 3.59Å; L305-M373 HydrophobicContact CG-CE 4.06Å; L305-M373 HydrophobicContact CG-SD 4.46Å; S309-M373 WeakPolarHBondContact CB-SD 3.39Å; Y316-M373 HydrophobicContact CD2-CE 4.45Å; Y316-M373 HydrophobicContact CE2-CB 4.13Å; Y316-M373 HydrophobicContact CE2-CE 3.81Å; Y316-M373 HydrophobicContact CE2-CG 4.33Å; F328-M373 HydrophobicContact CE1-CE 3.95Å; F328-M373 HydrophobicContact CE1-SD 4.22Å; F328-M373 HydrophobicContact CZ-CE 4.36Å; Q369-M373 HydrophobicContact CG-SD 4.21Å; Q369-M373 VanDerWaalsContact O-CG 3.23Å; Q369-M373 WeakPolarHBondContact O-CG 3.13Å; Q369-M373 PolarHBondContact O-N 3.39Å; F370-M373 PolarHBondContact O-N 3.02Å; M373-Y376 PolarHBondContact O-N 3.44Å; M373-M377 HydrophobicContact CE-CE 4.19Å; M373-M377 VanDerWaalsContact O-CG 3.28Å; M373-M377 WeakPolarHBondContact O-CG 2.76Å; M373-M377 PolarHBondContact O-N 3.18Å
374	W	95	Very high	90.7	Very high	39 Å²	39	53 Å²	53	15%	0.148	29%	0.29	C	S	.	.	H	α-helix	trans	-65.2	-43.5	-178.8	-178.7	-109.5	0	0	0	111.7	V318 E325 F328 K329 V332 F370 T371 N372 Y376 M377 Q378 L382	V318-W374 HydrophobicContact CG2-CZ3 4.19Å; E325-W374 HydrophobicContact CG-CH2 3.51Å; E325-W374 HydrophobicContact CG-CZ3 3.89Å; F328-W374 HydrophobicContact CB-CE3 3.64Å; F328-W374 HydrophobicContact CB-CZ3 4.04Å; K329-W374 HydrophobicContact CD-CH2 4.19Å; K329-W374 HydrophobicContact CD-CZ2 4.06Å; K329-W374 VanDerWaalsContact CE-CH2 3.46Å; K329-W374 HydrophobicContact CG-CH2 3.67Å; K329-W374 HydrophobicContact CG-CZ2 3.52Å; K329-W374 HydrophobicContact CG-CZ3 4.24Å; V332-W374 HydrophobicContact CG2-CB 3.53Å; V332-W374 HydrophobicContact CG2-CG 3.9Å; F370-W374 WeakPolarHBondContact O-CB 3.24Å; F370-W374 PolarHBondContact O-N 2.88Å; T371-W374 PolarHBondContact O-N 3.34Å; N372-W374 PolarHBondContact O-N 3.02Å; W374-Y376 VanDerWaalsContact C-N 3.31Å; W374-Y376 PolarHBondContact O-N 3.22Å; W374-M377 HydrophobicContact CE3-SD 4.21Å; W374-M377 PolarHBondContact O-N 3.02Å; W374-Q378 WeakPolarHBondContact O-CG 3.2Å; W374-Q378 PolarHBondContact O-N 2.71Å; W374-L382 HydrophobicContact CH2-CD1 4.2Å
375	Q	94.2	Very high	91.1	Very high	108 Å²	108	54.4 Å²	54.4	51%	0.505	30%	0.302	S	S	.	.	H	α-helix	trans	-57.8	-45.7	173.5	-175.2	-178.3	-30.9	0	0	111.1	T371 N372 M377 Q378 E379	T371-Q375 PolarHBondContact O-N 3.25Å; N372-Q375 PolarHBondContact O-N 2.95Å; Q375-M377 VanDerWaalsContact C-N 3.35Å; Q375-M377 PolarHBondContact O-N 3.05Å; Q375-Q378 WeakPolarHBondContact O-CB 3.43Å; Q375-Q378 PolarHBondContact O-N 2.92Å; Q375-Q378 VanDerWaalsContact O-N 3.15Å; Q375-E379 PolarHBondContact NE2-OE1 3.28Å; Q375-E379 WeakPolarHBondContact O-CG 3.06Å; Q375-E379 PolarHBondContact O-N 3.2Å
376	Y	94.4	Very high	91.6	Very high	35 Å²	35	52.3 Å²	52.3	14%	0.137	29%	0.285	C	S	.	.	H	α-helix	trans	-63.5	-37.7	177.9	-173.3	-99.4	0	0	0	113.2	Y312 Y316 N372 M373 W374 Q378 E379 T380	Y312-Y376 PolarHBondContact O-OH 3.37Å; Y316-Y376 AromaticContact CD1-CD1 3.91Å; Y316-Y376 HydrophobicContact CD1-CD1 3.91Å; Y316-Y376 AromaticContact CD1-CE1 3.68Å; Y316-Y376 HydrophobicContact CD1-CE1 3.68Å; Y316-Y376 HydrophobicContact CD2-CD1 4.23Å; Y316-Y376 AromaticContact CE1-CD1 3.44Å; Y316-Y376 HydrophobicContact CE1-CD1 3.44Å; Y316-Y376 VanDerWaalsContact CE1-CD1 3.44Å; Y316-Y376 AromaticContact CE1-CE1 3.5Å; Y316-Y376 HydrophobicContact CE1-CE1 3.5Å; Y316-Y376 VanDerWaalsContact CE1-CE1 3.5Å; Y316-Y376 HydrophobicContact CE1-CG 4.45Å; Y316-Y376 AromaticContact CE2-CD1 3.8Å; Y316-Y376 HydrophobicContact CE2-CD1 3.8Å; Y316-Y376 HydrophobicContact CG-CD1 4.29Å; Y316-Y376 HydrophobicContact CG-CE1 4.3Å; Y316-Y376 AromaticContact CZ-CD1 3.38Å; Y316-Y376 AromaticContact CZ-CE1 3.97Å; N372-Y376 WeakPolarHBondContact O-CB 3.28Å; N372-Y376 PolarHBondContact O-N 3.19Å; M373-Y376 PolarHBondContact O-N 3.44Å; W374-Y376 VanDerWaalsContact C-N 3.31Å; W374-Y376 PolarHBondContact O-N 3.22Å; Y376-Q378 VanDerWaalsContact C-N 3.33Å; Y376-E379 PolarHBondContact O-N 3.02Å; Y376-T380 WeakPolarHBondContact O-CB 3.19Å; Y376-T380 PolarHBondContact O-N 3.48Å; Y376-T380 PolarHBondContact O-OG1 3.42Å
377	M	95.2	Very high	92	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-64.4	-37.3	173.7	-69.7	179.5	-170.5	0	0	112	Y316 V318 F328 M373 W374 Q375 T380 G381 L382 I405	Y316-M377 HydrophobicContact CD2-CE 3.59Å; Y316-M377 HydrophobicContact CD2-CG 3.73Å; Y316-M377 HydrophobicContact CE2-CE 3.72Å; Y316-M377 HydrophobicContact CE2-CG 3.84Å; V318-M377 HydrophobicContact CG1-CE 4.38Å; V318-M377 HydrophobicContact CG1-SD 4.15Å; V318-M377 HydrophobicContact CG2-SD 4.16Å; F328-M377 HydrophobicContact CD1-CE 3.93Å; F328-M377 HydrophobicContact CD2-CE 4.01Å; F328-M377 HydrophobicContact CD2-SD 4.28Å; F328-M377 HydrophobicContact CE1-CE 3.67Å; F328-M377 HydrophobicContact CE2-CE 3.77Å; F328-M377 HydrophobicContact CG-CE 4.12Å; F328-M377 HydrophobicContact CG-SD 4.3Å; F328-M377 HydrophobicContact CZ-CE 3.6Å; M373-M377 HydrophobicContact CE-CE 4.19Å; M373-M377 VanDerWaalsContact O-CG 3.28Å; M373-M377 WeakPolarHBondContact O-CG 2.76Å; M373-M377 PolarHBondContact O-N 3.18Å; W374-M377 HydrophobicContact CE3-SD 4.21Å; W374-M377 PolarHBondContact O-N 3.02Å; Q375-M377 VanDerWaalsContact C-N 3.35Å; Q375-M377 PolarHBondContact O-N 3.05Å; M377-T380 PolarHBondContact O-N 3.28Å; M377-G381 PolarHBondContact O-N 2.98Å; M377-L382 HydrophobicContact CB-CD2 4.33Å; M377-I405 HydrophobicContact CE-CD1 3.85Å
378	Q	93.9	Very high	92.5	Very high	92 Å²	92	55 Å²	55	43%	0.43	29%	0.286	S	S	.	.	H	α-helix	trans	-66.3	-43.3	175	-67.7	-60.5	-34.3	0	0	111.5	W374 Q375 Y376 T380 G381	W374-Q378 WeakPolarHBondContact O-CG 3.2Å; W374-Q378 PolarHBondContact O-N 2.71Å; Q375-Q378 WeakPolarHBondContact O-CB 3.43Å; Q375-Q378 PolarHBondContact O-N 2.92Å; Q375-Q378 VanDerWaalsContact O-N 3.15Å; Y376-Q378 VanDerWaalsContact C-N 3.33Å; Q378-T380 VanDerWaalsContact C-N 3.32Å; Q378-T380 PolarHBondContact O-N 3.04Å; Q378-G381 PolarHBondContact O-N 3.01Å
379	E	94.1	Very high	92.8	Very high	135 Å²	135	51.7 Å²	51.7	63%	0.631	27%	0.268	S	S	*	.	H	α-helix	trans	-63.9	-36.5	175.8	-70.5	174.5	-166.9	0	0	112.3	Q375 Y376 G381	Q375-E379 PolarHBondContact NE2-OE1 3.28Å; Q375-E379 WeakPolarHBondContact O-CG 3.06Å; Q375-E379 PolarHBondContact O-N 3.2Å; Y376-E379 PolarHBondContact O-N 3.02Å; E379-G381 VanDerWaalsContact C-N 3.34Å
380	T	92.6	Very high	92.9	Very high	35 Å²	35	50.9 Å²	50.9	22%	0.215	26%	0.264	C	S	.	.	H	α-helix	trans	-71.1	-29.9	176.1	-59.8	0	0	0	0	112.4	K315 Y376 M377 Q378 F402	K315-T380 HydrophobicContact CB-CG2 3.92Å; K315-T380 HydrophobicContact CG-CG2 4.5Å; Y376-T380 WeakPolarHBondContact O-CB 3.19Å; Y376-T380 PolarHBondContact O-N 3.48Å; Y376-T380 PolarHBondContact O-OG1 3.42Å; M377-T380 PolarHBondContact O-N 3.28Å; Q378-T380 VanDerWaalsContact C-N 3.32Å; Q378-T380 PolarHBondContact O-N 3.04Å; T380-F402 HydrophobicContact CG2-CD2 4.27Å; T380-F402 HydrophobicContact CG2-CE2 3.8Å
381	G	93.6	Very high	93	Very high	26 Å²	26	56.2 Å²	56.2	27%	0.268	29%	0.29	S	S	.	.			trans	85.4	120.8	-177.4	0	0	0	0	0	113	M377 Q378 E379 R392	M377-G381 PolarHBondContact O-N 2.98Å; Q378-G381 PolarHBondContact O-N 3.01Å; E379-G381 VanDerWaalsContact C-N 3.34Å; G381-R392 PolarHBondContact O-NH1 3.08Å
382	L	94	Very high	93	Very high	35 Å²	35	59.3 Å²	59.3	18%	0.183	30%	0.299	C	S	.	.			trans	-73.8	127.4	-179.2	-60.4	166.4	0	0	0	111.5	A317 V318 W374 M377	A317-L382 HydrophobicContact CB-CD2 4.39Å; V318-L382 HydrophobicContact CG2-CD2 3.49Å; V318-L382 VanDerWaalsContact CG2-CD2 3.49Å; V318-L382 WeakPolarHBondContact O-CD2 3.28Å; W374-L382 HydrophobicContact CH2-CD1 4.2Å; M377-L382 HydrophobicContact CB-CD2 4.33Å
383	P	93.3	Very high	93	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.273	C	S	.	.			trans	-64.2	145.5	171.2	25.6	-33.3	0	0	0	111.5	V318 V319 K320 E388 L404	V318-P383 WeakPolarHBondContact O-CD 3.35Å; V319-P383 HydrophobicContact CG2-CG 4.42Å; K320-P383 WeakPolarHBondContact CB-O 3Å; K320-P383 PolarHBondContact N-O 3Å; P383-E388 HydrophobicContact CB-CB 4.27Å; P383-E388 HydrophobicContact CB-CG 4.25Å; P383-L404 HydrophobicContact CG-CD1 3.92Å
384	S	88.1	Confident	93	Very high	75 Å²	75	55.9 Å²	55.9	52%	0.524	28%	0.281	S	S	.	.	S	Bend	trans	-78.2	-36.3	-178	63.1	0	0	0	0	112.9	E388	S384-E388 WeakPolarHBondContact CB-OE2 3.5Å; S384-E388 PolarHBondContact N-OE2 3.4Å; S384-E388 PolarHBondContact OG-OE2 3.49Å
385	T	88.7	Confident	92.8	Very high	68 Å²	68	58.1 Å²	58.1	42%	0.417	31%	0.307	S	S	.	.	S	Bend	trans	-125	161.8	178.1	67	0	0	0	0	111.2	E387 E388 G389	T385-E387 VanDerWaalsContact C-N 3.3Å; T385-E387 PolarHBondContact O-N 3.39Å; T385-E388 PolarHBondContact O-N 3.48Å; T385-E388 WeakPolarHBondContact OG1-CB 3.4Å; T385-E388 PolarHBondContact OG1-N 3.34Å; T385-G389 PolarHBondContact O-N 3.46Å; T385-G389 VanDerWaalsContact O-N 3.14Å
386	L	89.3	Confident	92.5	Very high	50 Å²	50	53.6 Å²	53.6	26%	0.262	29%	0.288	S	S	.	.	H	α-helix	trans	-61.4	-41	175	-179.7	62.2	0	0	0	111.3	V319 G389 L390 L404 A406 T410 L411 I414	V319-L386 HydrophobicContact CG2-CD1 4.13Å; L386-G389 WeakPolarHBondContact O-CA 3.45Å; L386-G389 PolarHBondContact O-N 3.31Å; L386-G389 VanDerWaalsContact O-N 3.17Å; L386-L390 HydrophobicContact CD1-CG 4.46Å; L386-L390 HydrophobicContact CG-CD1 4.13Å; L386-L390 HydrophobicContact CG-CG 4.45Å; L386-L390 VanDerWaalsContact O-CG 3.32Å; L386-L390 WeakPolarHBondContact O-CG 3.21Å; L386-L390 PolarHBondContact O-N 3.17Å; L386-L404 HydrophobicContact CD1-CD2 3.96Å; L386-A406 HydrophobicContact CD1-CB 4.18Å; L386-T410 HydrophobicContact CD2-CG2 3.69Å; L386-L411 HydrophobicContact CD1-CD2 4.39Å; L386-I414 HydrophobicContact CD2-CD1 4.09Å
387	E	90.8	Very high	91.7	Very high	146 Å²	146	53.9 Å²	53.9	68%	0.682	30%	0.301	S	S	*	.	H	α-helix	trans	-60.8	-46.5	178.6	-64.1	179.1	172	0	0	111.8	T385 G389 L390 E391	T385-E387 VanDerWaalsContact C-N 3.3Å; T385-E387 PolarHBondContact O-N 3.39Å; E387-G389 VanDerWaalsContact C-N 3.27Å; E387-G389 PolarHBondContact O-N 3.18Å; E387-L390 PolarHBondContact O-N 3.28Å; E387-L390 VanDerWaalsContact O-N 3.13Å; E387-E391 WeakPolarHBondContact O-CG 3.36Å; E387-E391 PolarHBondContact O-N 3.16Å
388	E	92.9	Very high	90.5	Very high	53 Å²	53	58.3 Å²	58.3	25%	0.248	33%	0.333	C	S	.	.	H	α-helix	trans	-59.1	-41.7	174.9	-172.5	-165.5	164	0	0	111	P383 S384 T385 E391 R392	P383-E388 HydrophobicContact CB-CB 4.27Å; P383-E388 HydrophobicContact CB-CG 4.25Å; S384-E388 WeakPolarHBondContact CB-OE2 3.5Å; S384-E388 PolarHBondContact N-OE2 3.4Å; S384-E388 PolarHBondContact OG-OE2 3.49Å; T385-E388 PolarHBondContact O-N 3.48Å; T385-E388 WeakPolarHBondContact OG1-CB 3.4Å; T385-E388 PolarHBondContact OG1-N 3.34Å; E388-E391 PolarHBondContact O-N 3.12Å; E388-R392 WeakPolarHBondContact O-CG 3.36Å; E388-R392 PolarHBondContact O-N 3.24Å; E388-R392 IonicContact OE1-CZ 2.68Å; E388-R392 IonicContact OE1-NE 3.96Å; E388-R392 PolarHBondContact OE1-NE 3.23Å; E388-R392 IonicContact OE1-NH2 3.05Å; E388-R392 PolarHBondContact OE1-NH2 3.12Å
389	G	93.2	Very high	89.5	Confident	0 Å²	0	60 Å²	60	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-60.4	-44.3	175.2	0	0	0	0	0	112.7	T385 L386 E387 R392 V393	T385-G389 PolarHBondContact O-N 3.46Å; T385-G389 VanDerWaalsContact O-N 3.14Å; L386-G389 WeakPolarHBondContact O-CA 3.45Å; L386-G389 PolarHBondContact O-N 3.31Å; L386-G389 VanDerWaalsContact O-N 3.17Å; E387-G389 VanDerWaalsContact C-N 3.27Å; E387-G389 PolarHBondContact O-N 3.18Å; G389-R392 PolarHBondContact O-N 2.95Å; G389-V393 WeakPolarHBondContact O-CG2 3.37Å; G389-V393 PolarHBondContact O-N 3.33Å; G389-V393 VanDerWaalsContact O-N 3.14Å
390	L	94	Very high	88.9	Confident	23 Å²	23	58.9 Å²	58.9	12%	0.12	34%	0.344	C	S	.	.	H	α-helix	trans	-67.8	-39.8	178.4	-68.4	170.5	0	0	0	112	V177 L386 E387 R392 V393 L394 L404 L411 I414 F421	V177-L390 HydrophobicContact CG1-CD2 4.37Å; L386-L390 HydrophobicContact CD1-CG 4.46Å; L386-L390 HydrophobicContact CG-CD1 4.13Å; L386-L390 HydrophobicContact CG-CG 4.45Å; L386-L390 VanDerWaalsContact O-CG 3.32Å; L386-L390 WeakPolarHBondContact O-CG 3.21Å; L386-L390 PolarHBondContact O-N 3.17Å; E387-L390 PolarHBondContact O-N 3.28Å; E387-L390 VanDerWaalsContact O-N 3.13Å; L390-R392 VanDerWaalsContact C-N 3.34Å; L390-R392 PolarHBondContact O-N 3.39Å; L390-V393 WeakPolarHBondContact O-CB 3.49Å; L390-V393 PolarHBondContact O-N 2.82Å; L390-L394 WeakPolarHBondContact O-CG 3.16Å; L390-L394 PolarHBondContact O-N 2.94Å; L390-L404 HydrophobicContact CD2-CD2 4.2Å; L390-L404 HydrophobicContact CG-CD2 4.37Å; L390-L411 HydrophobicContact CD2-CD2 4.13Å; L390-I414 HydrophobicContact CD1-CD1 3.69Å; L390-I414 HydrophobicContact CD1-CG1 4.41Å; L390-I414 HydrophobicContact CD1-CG2 4.23Å; L390-I414 HydrophobicContact CD2-CD1 4.41Å; L390-I414 HydrophobicContact CD2-CG2 4.14Å; L390-F421 HydrophobicContact CB-CE1 4.22Å; L390-F421 HydrophobicContact CB-CZ 3.89Å; L390-F421 HydrophobicContact CD2-CD1 4.31Å; L390-F421 HydrophobicContact CD2-CE1 3.84Å; L390-F421 HydrophobicContact CD2-CZ 3.96Å; L390-F421 HydrophobicContact CG-CZ 4.43Å
391	E	94.6	Very high	88.7	Confident	136 Å²	136	61.2 Å²	61.2	64%	0.636	35%	0.351	S	S	*	.	H	α-helix	trans	-61.3	-42	174.3	-75	-175.3	170.2	0	0	111.6	E387 E388 V393 L394 A395	E387-E391 WeakPolarHBondContact O-CG 3.36Å; E387-E391 PolarHBondContact O-N 3.16Å; E388-E391 PolarHBondContact O-N 3.12Å; E391-V393 VanDerWaalsContact C-N 3.32Å; E391-V393 PolarHBondContact O-N 3.27Å; E391-L394 PolarHBondContact O-N 3.02Å; E391-L394 VanDerWaalsContact O-N 3.15Å; E391-A395 VanDerWaalsContact O-CB 3.29Å; E391-A395 WeakPolarHBondContact O-CB 3.46Å; E391-A395 PolarHBondContact O-N 3.01Å
392	R	94.4	Very high	88.7	Confident	85 Å²	85	60.8 Å²	60.8	32%	0.321	34%	0.342	S	S	.	.	H	α-helix	trans	-61.7	-38.8	174.1	-71.8	179.9	-173.5	-160.7	7.4	112.4	G381 E388 G389 L390 L394 A395 S396 F402	G381-R392 PolarHBondContact O-NH1 3.08Å; E388-R392 WeakPolarHBondContact O-CG 3.36Å; E388-R392 PolarHBondContact O-N 3.24Å; E388-R392 IonicContact OE1-CZ 2.68Å; E388-R392 IonicContact OE1-NE 3.96Å; E388-R392 PolarHBondContact OE1-NE 3.23Å; E388-R392 IonicContact OE1-NH2 3.05Å; E388-R392 PolarHBondContact OE1-NH2 3.12Å; G389-R392 PolarHBondContact O-N 2.95Å; L390-R392 VanDerWaalsContact C-N 3.34Å; L390-R392 PolarHBondContact O-N 3.39Å; R392-L394 VanDerWaalsContact C-N 3.34Å; R392-A395 PolarHBondContact O-N 3.12Å; R392-S396 PolarHBondContact O-N 3.41Å; R392-F402 HydrophobicContact CB-CD1 3.83Å; R392-F402 HydrophobicContact CB-CE1 3.79Å; R392-F402 HydrophobicContact CB-CG 4.47Å; R392-F402 HydrophobicContact CB-CZ 4.41Å
393	V	93.5	Very high	88.7	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-61.3	-44.7	173.5	173.5	0	0	0	0	110.4	V178 K179 G389 L390 E391 S396 F402 L404 F421	V178-V393 VanDerWaalsContact C-CG1 3.44Å; K179-V393 HydrophobicContact CB-CG1 4.13Å; G389-V393 WeakPolarHBondContact O-CG2 3.37Å; G389-V393 PolarHBondContact O-N 3.33Å; G389-V393 VanDerWaalsContact O-N 3.14Å; L390-V393 WeakPolarHBondContact O-CB 3.49Å; L390-V393 PolarHBondContact O-N 2.82Å; E391-V393 VanDerWaalsContact C-N 3.32Å; E391-V393 PolarHBondContact O-N 3.27Å; V393-S396 WeakPolarHBondContact O-CB 3.33Å; V393-S396 PolarHBondContact O-N 2.9Å; V393-S396 PolarHBondContact O-OG 3.43Å; V393-F402 HydrophobicContact CB-CD1 4.37Å; V393-F402 HydrophobicContact CG2-CD1 3.58Å; V393-F402 HydrophobicContact CG2-CE1 3.94Å; V393-L404 HydrophobicContact CG2-CB 3.61Å; V393-F421 HydrophobicContact CB-CE1 4.09Å; V393-F421 HydrophobicContact CG1-CD1 3.94Å; V393-F421 HydrophobicContact CG1-CE1 3.9Å
394	L	92.7	Very high	88.8	Confident	33 Å²	33	59.1 Å²	59.1	17%	0.173	33%	0.333	C	S	.	.	H	α-helix	trans	-70.6	-36.5	179.8	-68.1	173.9	0	0	0	113.7	K179 L390 E391 R392 S396 R420 F421	K179-L394 PolarHBondContact NZ-O 3.13Å; L390-L394 WeakPolarHBondContact O-CG 3.16Å; L390-L394 PolarHBondContact O-N 2.94Å; E391-L394 PolarHBondContact O-N 3.02Å; E391-L394 VanDerWaalsContact O-N 3.15Å; R392-L394 VanDerWaalsContact C-N 3.34Å; L394-S396 PolarHBondContact O-N 3.42Å; L394-R420 VanDerWaalsContact CD1-NH2 3.31Å; L394-R420 HydrophobicContact CD2-CB 3.66Å; L394-F421 HydrophobicContact CD1-CE1 4.24Å; L394-F421 HydrophobicContact CD1-CE2 4.15Å; L394-F421 HydrophobicContact CD1-CZ 3.5Å; L394-F421 HydrophobicContact CD2-CD1 4.34Å; L394-F421 HydrophobicContact CD2-CE1 3.72Å; L394-F421 HydrophobicContact CD2-CE2 4.19Å; L394-F421 HydrophobicContact CD2-CZ 3.64Å; L394-F421 HydrophobicContact CG-CE1 3.63Å; L394-F421 HydrophobicContact CG-CE2 4.32Å; L394-F421 HydrophobicContact CG-CZ 3.42Å; L394-F421 VanDerWaalsContact CG-CZ 3.42Å
395	A	92.1	Very high	89.1	Confident	85 Å²	85	55.6 Å²	55.6	70%	0.702	31%	0.308	S	S	*	.	H	α-helix	trans	-68.6	-16.9	176.8	0	0	0	0	0	112.6	E391 R392 G397	E391-A395 VanDerWaalsContact O-CB 3.29Å; E391-A395 WeakPolarHBondContact O-CB 3.46Å; E391-A395 PolarHBondContact O-N 3.01Å; R392-A395 PolarHBondContact O-N 3.12Å; A395-G397 PolarHBondContact O-N 3.47Å
396	S	86.6	Confident	89.3	Confident	13 Å²	13	52.8 Å²	52.8	9%	0.091	29%	0.292	C	S	.	.			trans	-61.8	132.8	177	76.7	0	0	0	0	112	K179 R392 V393 L394 E400	K179-S396 PolarHBondContact NZ-O 3.35Å; R392-S396 PolarHBondContact O-N 3.41Å; V393-S396 WeakPolarHBondContact O-CB 3.33Å; V393-S396 PolarHBondContact O-N 2.9Å; V393-S396 PolarHBondContact O-OG 3.43Å; L394-S396 PolarHBondContact O-N 3.42Å; S396-E400 WeakPolarHBondContact CB-O 3.41Å
397	G	78	Confident	89.4	Confident	41 Å²	41	51.2 Å²	51.2	42%	0.423	28%	0.284	S	S	.	.			trans	-93.3	-168.9	-178.3	0	0	0	0	0	112.3	A395 E400	A395-G397 PolarHBondContact O-N 3.47Å; G397-E400 PolarHBondContact N-O 3.38Å; G397-E400 VanDerWaalsContact N-O 3.15Å
398	S	69.9	Low	89.5	Confident	94 Å²	94	44.3 Å²	44.3	66%	0.657	25%	0.252	S	S	*	.	S	Bend	trans	-72.2	-32.2	174.2	54.9	0	0	0	0	112.6
399	T	72.6	Confident	89.3	Confident	126 Å²	126	41.8 Å²	41.8	77%	0.773	24%	0.24	S	C	*	.	S	Bend	trans	-83.5	-47.8	-176.9	51	0	0	0	0	113
400	E	82.6	Confident	89.2	Confident	113 Å²	113	42.4 Å²	42.4	53%	0.528	24%	0.244	S	C	.	.	S	Bend	trans	-111.9	104	177.4	-66.2	-166.1	-169.1	0	0	109.7	K315 S396 G397	K315-E400 IonicContact NZ-OE1 2.84Å; K315-E400 IonicContact NZ-OE2 3.39Å; K315-E400 PolarHBondContact NZ-OE2 2.97Å; S396-E400 WeakPolarHBondContact CB-O 3.41Å; G397-E400 PolarHBondContact N-O 3.38Å; G397-E400 VanDerWaalsContact N-O 3.15Å
401	K	88.1	Confident	89.1	Confident	83 Å²	83	41.4 Å²	41.4	36%	0.361	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	143.9	175.9	-62.5	-172.2	179.6	-167.5	0	109.8	I314 K315	I314-K401 WeakPolarHBondContact CA-O 3.44Å; I314-K401 HydrophobicContact CB-CB 4.45Å; I314-K401 HydrophobicContact CD1-CB 4.37Å; I314-K401 HydrophobicContact CD1-CD 4.25Å; I314-K401 HydrophobicContact CG1-CB 4.02Å; I314-K401 HydrophobicContact CG2-CB 4.1Å; K315-K401 PolarHBondContact N-O 3.34Å
402	F	92.8	Very high	88.9	Confident	18 Å²	18	39.2 Å²	39.2	8%	0.079	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	136.4	176	-178.5	-98.5	0	0	0	110.2	K315 A317 T380 R392 V393 L404	K315-F402 HydrophobicContact CB-CD2 3.87Å; K315-F402 CarbonylContact O-C 3.55Å; K315-F402 VanDerWaalsContact O-CA 3.28Å; K315-F402 WeakPolarHBondContact O-CA 3.39Å; A317-F402 HydrophobicContact CB-CE2 4.01Å; A317-F402 HydrophobicContact CB-CZ 3.85Å; T380-F402 HydrophobicContact CG2-CD2 4.27Å; T380-F402 HydrophobicContact CG2-CE2 3.8Å; R392-F402 HydrophobicContact CB-CD1 3.83Å; R392-F402 HydrophobicContact CB-CE1 3.79Å; R392-F402 HydrophobicContact CB-CG 4.47Å; R392-F402 HydrophobicContact CB-CZ 4.41Å; V393-F402 HydrophobicContact CB-CD1 4.37Å; V393-F402 HydrophobicContact CG2-CD1 3.58Å; V393-F402 HydrophobicContact CG2-CE1 3.94Å; F402-L404 HydrophobicContact CE1-CB 4.23Å; F402-L404 HydrophobicContact CE1-CD1 4.4Å
403	A	93.9	Very high	88.7	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	134.1	177.1	0	0	0	0	0	110	I176 V177 V178 L308 I314 K315 Y316 A317	I176-A403 HydrophobicContact CG2-CB 3.8Å; V177-A403 WeakPolarHBondContact O-CA 3.27Å; V178-A403 HydrophobicContact CG1-CB 3.73Å; L308-A403 HydrophobicContact CD1-CB 4.39Å; I314-A403 HydrophobicContact CG2-CB 4.01Å; K315-A403 PolarHBondContact O-N 3.37Å; Y316-A403 WeakPolarHBondContact CA-O 3.42Å; A317-A403 PolarHBondContact N-O 3.44Å
404	L	95.4	Very high	88.7	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	134.9	176.5	-177.6	74.4	0	0	0	109.2	I176 V177 V319 P383 L386 L390 V393 F402	I176-L404 WeakPolarHBondContact CA-O 3.47Å; V177-L404 HydrophobicContact CG1-CB 3.73Å; V177-L404 HydrophobicContact CG1-CD2 4.28Å; V177-L404 HydrophobicContact CG1-CG 4.42Å; V177-L404 WeakPolarHBondContact CG1-O 3.48Å; V177-L404 PolarHBondContact N-O 3.01Å; V177-L404 PolarHBondContact O-N 3.2Å; V319-L404 HydrophobicContact CG2-CD1 4.13Å; P383-L404 HydrophobicContact CG-CD1 3.92Å; L386-L404 HydrophobicContact CD1-CD2 3.96Å; L390-L404 HydrophobicContact CD2-CD2 4.2Å; L390-L404 HydrophobicContact CG-CD2 4.37Å; V393-L404 HydrophobicContact CG2-CB 3.61Å; F402-L404 HydrophobicContact CE1-CB 4.23Å; F402-L404 HydrophobicContact CE1-CD1 4.4Å
405	I	95.3	Very high	88.6	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	122.6	173.6	-62.7	168.6	0	0	0	108.5	E174 V175 I176 L305 L308 A317 V318 A324 F328 M377 F428	E174-I405 HydrophobicContact CB-CG2 4.2Å; V175-I405 WeakPolarHBondContact O-CA 3.46Å; I176-I405 HydrophobicContact CG1-CD1 4.45Å; I176-I405 HydrophobicContact CG1-CG1 3.89Å; L305-I405 HydrophobicContact CD1-CD1 4.01Å; L308-I405 HydrophobicContact CD2-CD1 4.03Å; A317-I405 PolarHBondContact O-N 3.44Å; V318-I405 HydrophobicContact CG1-CB 3.77Å; V318-I405 HydrophobicContact CG1-CG2 4Å; A324-I405 HydrophobicContact CB-CG2 4.25Å; F328-I405 HydrophobicContact CE2-CD1 4.1Å; F328-I405 HydrophobicContact CE2-CG2 4.09Å; F328-I405 HydrophobicContact CZ-CD1 3.89Å; M377-I405 HydrophobicContact CE-CD1 3.85Å; I405-F428 HydrophobicContact CG2-CE1 4.43Å; I405-F428 HydrophobicContact CG2-CZ 3.67Å
406	A	93	Very high	88.5	Confident	9 Å²	9	34.1 Å²	34.1	7%	0.074	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	-178.1	176.3	0	0	0	0	0	111.8	E174 V175 L386 A408 L411	E174-A406 WeakPolarHBondContact CA-O 3.25Å; E174-A406 WeakPolarHBondContact OE2-CA 3.47Å; V175-A406 PolarHBondContact N-O 3.37Å; V175-A406 PolarHBondContact O-N 2.93Å; V175-A406 VanDerWaalsContact O-N 3.15Å; L386-A406 HydrophobicContact CD1-CB 4.18Å; A406-A408 PolarHBondContact O-N 3.24Å; A406-L411 HydrophobicContact CB-CD1 3.77Å; A406-L411 HydrophobicContact CB-CD2 4.42Å; A406-L411 HydrophobicContact CB-CG 4.06Å
407	D	91	Very high	88.7	Confident	18 Å²	18	35.1 Å²	35.1	10%	0.096	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	129.5	-172.6	178.9	82.6	0	0	0	112.7	E174 A409 T410 L411 Y433	E174-D407 WeakPolarHBondContact OE2-CA 3.35Å; E174-D407 PolarHBondContact OE2-N 3.27Å; D407-A409 VanDerWaalsContact C-N 3.35Å; D407-A409 PolarHBondContact O-N 2.97Å; D407-A409 WeakPolarHBondContact OD2-CB 3.34Å; D407-A409 PolarHBondContact OD2-N 2.86Å; D407-T410 PolarHBondContact O-N 3.02Å; D407-T410 PolarHBondContact OD2-N 3.36Å; D407-T410 PolarHBondContact OD2-OG1 3.3Å; D407-L411 PolarHBondContact O-N 2.96Å; D407-Y433 PolarHBondContact OD1-OH 3.48Å; D407-Y433 PolarHBondContact OD2-OH 3.02Å
408	A	92.5	Very high	89.3	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63.2	-39.5	-173.5	0	0	0	0	0	112.9	G173 V175 A406 T410 R412 E427	G173-A408 VanDerWaalsContact O-CB 3.23Å; G173-A408 WeakPolarHBondContact O-CB 3.46Å; G173-A408 PolarHBondContact O-N 2.93Å; V175-A408 HydrophobicContact CB-CB 4.49Å; V175-A408 HydrophobicContact CG1-CB 3.69Å; V175-A408 HydrophobicContact CG2-CB 4.11Å; A406-A408 PolarHBondContact O-N 3.24Å; A408-T410 VanDerWaalsContact C-N 3.26Å; A408-T410 PolarHBondContact O-N 2.91Å; A408-R412 VanDerWaalsContact O-CB 3.27Å; A408-R412 WeakPolarHBondContact O-CB 3.46Å; A408-R412 WeakPolarHBondContact O-CG 3.26Å; A408-R412 PolarHBondContact O-N 3.17Å; A408-E427 HydrophobicContact CB-CG 3.83Å
409	A	90.1	Very high	90.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62.9	-38.3	-178.4	0	0	0	0	0	111	F82 S172 D407 Y433 W468	F82-A409 HydrophobicContact CE2-CB 3.98Å; F82-A409 HydrophobicContact CZ-CB 4.09Å; S172-A409 PolarHBondContact OG-N 3.41Å; D407-A409 VanDerWaalsContact C-N 3.35Å; D407-A409 PolarHBondContact O-N 2.97Å; D407-A409 WeakPolarHBondContact OD2-CB 3.34Å; D407-A409 PolarHBondContact OD2-N 2.86Å; A409-Y433 HydrophobicContact CB-CE2 3.93Å; A409-Y433 WeakPolarHBondContact CB-OH 3.19Å; A409-W468 HydrophobicContact CB-CZ2 3.94Å; A409-W468 PolarHBondContact O-NE1 2.99Å
410	T	90.1	Very high	91.1	Very high	14 Å²	14	31.8 Å²	31.8	9%	0.086	15%	0.153	C	C	.	.	H	α-helix	trans	-76.2	-49.7	178	-48.8	0	0	0	0	111.8	L386 D407 A408 R412 L413 I414	L386-T410 HydrophobicContact CD2-CG2 3.69Å; D407-T410 PolarHBondContact O-N 3.02Å; D407-T410 PolarHBondContact OD2-N 3.36Å; D407-T410 PolarHBondContact OD2-OG1 3.3Å; A408-T410 VanDerWaalsContact C-N 3.26Å; A408-T410 PolarHBondContact O-N 2.91Å; T410-R412 VanDerWaalsContact C-N 3.32Å; T410-R412 PolarHBondContact O-N 3.35Å; T410-L413 PolarHBondContact O-N 3.49Å; T410-I414 HydrophobicContact CG2-CD1 4.14Å; T410-I414 PolarHBondContact O-N 2.97Å
411	L	92.4	Very high	91.6	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-65.7	-32.2	-176.6	-73	-177.6	0	0	0	113.3	V175 V177 L386 L390 A406 D407 L413 I414 A415 I423	V175-L411 HydrophobicContact CG2-CB 3.97Å; V175-L411 HydrophobicContact CG2-CD1 3.65Å; V175-L411 HydrophobicContact CG2-CG 4.41Å; V177-L411 HydrophobicContact CB-CD1 3.94Å; V177-L411 HydrophobicContact CB-CD2 4.27Å; V177-L411 HydrophobicContact CG1-CD1 3.81Å; V177-L411 HydrophobicContact CG1-CD2 3.79Å; V177-L411 HydrophobicContact CG1-CG 4.43Å; L386-L411 HydrophobicContact CD1-CD2 4.39Å; L390-L411 HydrophobicContact CD2-CD2 4.13Å; A406-L411 HydrophobicContact CB-CD1 3.77Å; A406-L411 HydrophobicContact CB-CD2 4.42Å; A406-L411 HydrophobicContact CB-CG 4.06Å; D407-L411 PolarHBondContact O-N 2.96Å; L411-L413 VanDerWaalsContact C-N 3.32Å; L411-L413 PolarHBondContact O-N 3.28Å; L411-I414 HydrophobicContact CD2-CD1 3.98Å; L411-I414 PolarHBondContact O-N 3.37Å; L411-A415 PolarHBondContact O-N 3.04Å; L411-I423 HydrophobicContact CB-CD1 4.31Å
412	R	91.2	Very high	91.6	Very high	91 Å²	91	24.5 Å²	24.5	34%	0.343	12%	0.119	S	C	.	.	H	α-helix	trans	-60.2	-42.5	174.7	-81.2	175.6	170.4	145.9	-0.6	112.4	A408 T410 I414 A415 L416 I423 E427	A408-R412 VanDerWaalsContact O-CB 3.27Å; A408-R412 WeakPolarHBondContact O-CB 3.46Å; A408-R412 WeakPolarHBondContact O-CG 3.26Å; A408-R412 PolarHBondContact O-N 3.17Å; T410-R412 VanDerWaalsContact C-N 3.32Å; T410-R412 PolarHBondContact O-N 3.35Å; R412-I414 VanDerWaalsContact C-N 3.34Å; R412-A415 PolarHBondContact O-N 3.5Å; R412-L416 WeakPolarHBondContact O-CD1 3.2Å; R412-L416 VanDerWaalsContact O-CG 3.25Å; R412-L416 WeakPolarHBondContact O-CG 3.36Å; R412-L416 PolarHBondContact O-N 3.35Å; R412-I423 HydrophobicContact CB-CD1 4.28Å; R412-I423 HydrophobicContact CG-CD1 3.63Å; R412-E427 IonicContact CZ-OE1 2.81Å; R412-E427 VanDerWaalsContact NH1-CD 3.34Å; R412-E427 IonicContact NH1-OE1 3.35Å; R412-E427 PolarHBondContact NH1-OE1 2.93Å; R412-E427 IonicContact NH1-OE2 3.98Å; R412-E427 IonicContact NH2-OE1 3.91Å; R412-E427 PolarHBondContact NH2-OE1 3.22Å
413	L	89.8	Confident	91.5	Very high	5 Å²	5	25.9 Å²	25.9	3%	0.026	13%	0.127	C	C	.	.	H	α-helix	trans	-65.2	-41.6	176.5	-178.5	71.9	0	0	0	111.4	P80 P81 T410 L411 A415 L416 T417 H471	P80-L413 VanDerWaalsContact C-CD2 3.41Å; P80-L413 HydrophobicContact CB-CD2 3.51Å; P80-L413 HydrophobicContact CG-CD2 4.33Å; P81-L413 HydrophobicContact CB-CD1 4.42Å; P81-L413 HydrophobicContact CB-CD2 3.78Å; P81-L413 HydrophobicContact CG-CD2 4.18Å; T410-L413 PolarHBondContact O-N 3.49Å; L411-L413 VanDerWaalsContact C-N 3.32Å; L411-L413 PolarHBondContact O-N 3.28Å; L413-A415 VanDerWaalsContact C-N 3.33Å; L413-A415 PolarHBondContact O-N 3.44Å; L413-L416 PolarHBondContact O-N 3.03Å; L413-L416 VanDerWaalsContact O-N 3.15Å; L413-T417 HydrophobicContact CD1-CG2 4.22Å; L413-T417 HydrophobicContact CG-CG2 4.33Å; L413-T417 WeakPolarHBondContact O-CG2 3.25Å; L413-T417 PolarHBondContact O-N 3.34Å; L413-T417 PolarHBondContact O-OG1 3.36Å; L413-H471 HydrophobicContact CD1-CB 3.98Å
414	I	92.1	Very high	91.3	Very high	22 Å²	22	27.2 Å²	27.2	11%	0.113	13%	0.134	C	C	.	.	H	α-helix	trans	-60.5	-44.6	176.7	-68.4	157.3	0	0	0	110.5	L386 L390 T410 L411 R412 L416 T417 D418 F421	L386-I414 HydrophobicContact CD2-CD1 4.09Å; L390-I414 HydrophobicContact CD1-CD1 3.69Å; L390-I414 HydrophobicContact CD1-CG1 4.41Å; L390-I414 HydrophobicContact CD1-CG2 4.23Å; L390-I414 HydrophobicContact CD2-CD1 4.41Å; L390-I414 HydrophobicContact CD2-CG2 4.14Å; T410-I414 HydrophobicContact CG2-CD1 4.14Å; T410-I414 PolarHBondContact O-N 2.97Å; L411-I414 HydrophobicContact CD2-CD1 3.98Å; L411-I414 PolarHBondContact O-N 3.37Å; R412-I414 VanDerWaalsContact C-N 3.34Å; I414-L416 VanDerWaalsContact C-N 3.26Å; I414-L416 PolarHBondContact O-N 2.79Å; I414-T417 WeakPolarHBondContact CA-OG1 3.41Å; I414-T417 PolarHBondContact O-N 2.84Å; I414-T417 PolarHBondContact O-OG1 2.83Å; I414-D418 PolarHBondContact O-N 3.46Å; I414-F421 HydrophobicContact CG2-CD2 3.57Å; I414-F421 HydrophobicContact CG2-CE2 3.83Å; I414-F421 HydrophobicContact CG2-CG 4.19Å
415	A	91.2	Very high	90.8	Very high	21 Å²	21	29 Å²	29	17%	0.174	15%	0.152	C	C	.	.	H	α-helix	trans	-64.4	-28.8	176.7	0	0	0	0	0	113.4	L411 R412 L413 I423	L411-A415 PolarHBondContact O-N 3.04Å; R412-A415 PolarHBondContact O-N 3.5Å; L413-A415 VanDerWaalsContact C-N 3.33Å; L413-A415 PolarHBondContact O-N 3.44Å; A415-I423 HydrophobicContact CB-CD1 4.11Å; A415-I423 HydrophobicContact CB-CG1 4.19Å
416	L	89.9	Confident	90.5	Very high	48 Å²	48	35.7 Å²	35.7	25%	0.251	18%	0.183	S	C	.	.	H	α-helix	trans	-79.5	-29.6	175.9	-72	167	0	0	0	113.6	R412 L413 I414 W468 K475	R412-L416 WeakPolarHBondContact O-CD1 3.2Å; R412-L416 VanDerWaalsContact O-CG 3.25Å; R412-L416 WeakPolarHBondContact O-CG 3.36Å; R412-L416 PolarHBondContact O-N 3.35Å; L413-L416 PolarHBondContact O-N 3.03Å; L413-L416 VanDerWaalsContact O-N 3.15Å; I414-L416 VanDerWaalsContact C-N 3.26Å; I414-L416 PolarHBondContact O-N 2.79Å; L416-W468 WeakPolarHBondContact CD1-O 3.35Å; L416-K475 PolarHBondContact O-N 3.48Å
417	T	89.9	Confident	90.4	Very high	34 Å²	34	36.6 Å²	36.6	21%	0.209	19%	0.186	C	C	.	.	H	α-helix	trans	-92.9	-26.9	-178.3	53.5	0	0	0	0	112.3	L413 I414 K473 K475	L413-T417 HydrophobicContact CD1-CG2 4.22Å; L413-T417 HydrophobicContact CG-CG2 4.33Å; L413-T417 WeakPolarHBondContact O-CG2 3.25Å; L413-T417 PolarHBondContact O-N 3.34Å; L413-T417 PolarHBondContact O-OG1 3.36Å; I414-T417 WeakPolarHBondContact CA-OG1 3.41Å; I414-T417 PolarHBondContact O-N 2.84Å; I414-T417 PolarHBondContact O-OG1 2.83Å; T417-K473 HydrophobicContact CG2-CB 4Å; T417-K475 WeakPolarHBondContact O-CD 3.38Å; T417-K475 WeakPolarHBondContact O-CE 3.36Å; T417-K475 WeakPolarHBondContact O-CG 3.44Å; T417-K475 PolarHBondContact O-NZ 3.16Å
418	D	91.5	Very high	90.5	Very high	28 Å²	28	37.3 Å²	37.3	15%	0.15	19%	0.188	C	C	.	.			trans	-132.4	103.5	176	-172.6	-4	0	0	0	111.5	I414 R420 F421	I414-D418 PolarHBondContact O-N 3.46Å; D418-R420 PolarHBondContact O-N 3.26Å; D418-R420 WeakPolarHBondContact OD1-CB 3.46Å; D418-R420 WeakPolarHBondContact OD1-CG 3.49Å; D418-R420 IonicContact OD1-CZ 2.73Å; D418-R420 PolarHBondContact OD1-N 2.96Å; D418-R420 VanDerWaalsContact OD1-N 3.14Å; D418-R420 IonicContact OD1-NE 2.68Å; D418-R420 PolarHBondContact OD1-NE 3.2Å; D418-R420 IonicContact OD2-CZ 3.93Å; D418-R420 VanDerWaalsContact OD2-CZ 3.29Å; D418-R420 IonicContact OD2-NE 2.91Å; D418-R420 PolarHBondContact OD2-NE 3.03Å; D418-R420 VanDerWaalsContact OD2-NE 3.08Å; D418-R420 IonicContact OD2-NH2 3.36Å; D418-R420 PolarHBondContact OD2-NH2 3.26Å; D418-F421 HydrophobicContact CB-CD2 3.84Å; D418-F421 HydrophobicContact CB-CE2 4.04Å; D418-F421 PolarHBondContact O-N 3.26Å; D418-F421 WeakPolarHBondContact OD2-CE2 3.44Å
419	C	90.1	Very high	90.3	Very high	31 Å²	31	38.5 Å²	38.5	21%	0.209	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-5.7	-176.1	-50.6	0	0	0	0	114.6	R180 F421 C477	R180-C419 VanDerWaalsContact CD-O 3.31Å; R180-C419 WeakPolarHBondContact CD-O 3.48Å; R180-C419 PolarHBondContact NE-O 3.34Å; C419-F421 PolarHBondContact O-N 3.18Å; C419-C477 WeakPolarHBondContact CA-SG 3.48Å; C419-C477 HydrophobicContact CB-CB 3.65Å; C419-C477 WeakPolarHBondContact CB-SG 3.41Å; C419-C477 WeakPolarHBondContact SG-CA 3.49Å; C419-C477 WeakPolarHBondContact SG-CB 3.38Å; C419-C477 CovalentContact SG-SG 2.04Å; C419-C477 PolarHBondContact SG-SG 3.11Å
420	R	90.7	Very high	90.4	Very high	132 Å²	132	44.4 Å²	44.4	50%	0.498	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-17.1	173.8	-63.1	179.2	-63.6	169.8	2.2	112.1	K179 R180 L394 D418	K179-R420 CarbonylContact C-O 3.47Å; K179-R420 WeakPolarHBondContact CA-O 3.3Å; R180-R420 WeakPolarHBondContact CB-O 3.32Å; R180-R420 PolarHBondContact N-O 3.48Å; L394-R420 VanDerWaalsContact CD1-NH2 3.31Å; L394-R420 HydrophobicContact CD2-CB 3.66Å; D418-R420 PolarHBondContact O-N 3.26Å; D418-R420 WeakPolarHBondContact OD1-CB 3.46Å; D418-R420 WeakPolarHBondContact OD1-CG 3.49Å; D418-R420 IonicContact OD1-CZ 2.73Å; D418-R420 PolarHBondContact OD1-N 2.96Å; D418-R420 VanDerWaalsContact OD1-N 3.14Å; D418-R420 IonicContact OD1-NE 2.68Å; D418-R420 PolarHBondContact OD1-NE 3.2Å; D418-R420 IonicContact OD2-CZ 3.93Å; D418-R420 VanDerWaalsContact OD2-CZ 3.29Å; D418-R420 IonicContact OD2-NE 2.91Å; D418-R420 PolarHBondContact OD2-NE 3.03Å; D418-R420 VanDerWaalsContact OD2-NE 3.08Å; D418-R420 IonicContact OD2-NH2 3.36Å; D418-R420 PolarHBondContact OD2-NH2 3.26Å
421	F	91.7	Very high	90.4	Very high	7 Å²	7	46.9 Å²	46.9	3%	0.031	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	144.3	176.7	-61.8	-72.2	0	0	0	111.2	V177 V178 L390 V393 L394 I414 D418 C419	V177-F421 HydrophobicContact CG2-CB 3.74Å; V177-F421 HydrophobicContact CG2-CD1 3.9Å; V177-F421 HydrophobicContact CG2-CG 4.17Å; V178-F421 WeakPolarHBondContact O-CA 3.42Å; L390-F421 HydrophobicContact CB-CE1 4.22Å; L390-F421 HydrophobicContact CB-CZ 3.89Å; L390-F421 HydrophobicContact CD2-CD1 4.31Å; L390-F421 HydrophobicContact CD2-CE1 3.84Å; L390-F421 HydrophobicContact CD2-CZ 3.96Å; L390-F421 HydrophobicContact CG-CZ 4.43Å; V393-F421 HydrophobicContact CB-CE1 4.09Å; V393-F421 HydrophobicContact CG1-CD1 3.94Å; V393-F421 HydrophobicContact CG1-CE1 3.9Å; L394-F421 HydrophobicContact CD1-CE1 4.24Å; L394-F421 HydrophobicContact CD1-CE2 4.15Å; L394-F421 HydrophobicContact CD1-CZ 3.5Å; L394-F421 HydrophobicContact CD2-CD1 4.34Å; L394-F421 HydrophobicContact CD2-CE1 3.72Å; L394-F421 HydrophobicContact CD2-CE2 4.19Å; L394-F421 HydrophobicContact CD2-CZ 3.64Å; L394-F421 HydrophobicContact CG-CE1 3.63Å; L394-F421 HydrophobicContact CG-CE2 4.32Å; L394-F421 HydrophobicContact CG-CZ 3.42Å; L394-F421 VanDerWaalsContact CG-CZ 3.42Å; I414-F421 HydrophobicContact CG2-CD2 3.57Å; I414-F421 HydrophobicContact CG2-CE2 3.83Å; I414-F421 HydrophobicContact CG2-CG 4.19Å; D418-F421 HydrophobicContact CB-CD2 3.84Å; D418-F421 HydrophobicContact CB-CE2 4.04Å; D418-F421 PolarHBondContact O-N 3.26Å; D418-F421 WeakPolarHBondContact OD2-CE2 3.44Å; C419-F421 PolarHBondContact O-N 3.18Å
422	K	89.3	Confident	90.4	Very high	35 Å²	35	48.4 Å²	48.4	15%	0.152	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	130.9	172	-179.8	168.4	177.6	153.8	0	108.7	V178 R180 D480	V178-K422 HydrophobicContact CG2-CB 4.32Å; V178-K422 PolarHBondContact N-O 3.24Å; V178-K422 PolarHBondContact O-N 3.35Å; R180-K422 HydrophobicContact CB-CB 4.18Å; K422-D480 VanDerWaalsContact CE-OD1 3.24Å; K422-D480 WeakPolarHBondContact CE-OD1 3.4Å; K422-D480 IonicContact NZ-OD1 2.92Å; K422-D480 PolarHBondContact NZ-OD1 3.34Å
423	I	91	Very high	90.4	Very high	47 Å²	47	44 Å²	44	24%	0.241	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	137	172.8	-62.6	173.8	0	0	0	108.2	V175 I176 L411 R412 A415	V175-I423 HydrophobicContact CB-CG2 3.79Å; V175-I423 HydrophobicContact CG1-CG2 4.2Å; V175-I423 HydrophobicContact CG2-CD1 4.42Å; V175-I423 HydrophobicContact CG2-CG2 3.9Å; I176-I423 CarbonylContact O-C 3.57Å; I176-I423 WeakPolarHBondContact O-CA 3.24Å; L411-I423 HydrophobicContact CB-CD1 4.31Å; R412-I423 HydrophobicContact CB-CD1 4.28Å; R412-I423 HydrophobicContact CG-CD1 3.63Å; A415-I423 HydrophobicContact CB-CD1 4.11Å; A415-I423 HydrophobicContact CB-CG1 4.19Å
424	I	88.7	Confident	90.6	Very high	29 Å²	29	43.9 Å²	43.9	15%	0.149	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	136	178.8	-67	-178.3	0	0	0	108.9	I176 V178 I302 S303	I176-I424 PolarHBondContact O-N 2.96Å; V178-I424 HydrophobicContact CB-CD1 4.25Å; V178-I424 HydrophobicContact CG1-CD1 3.88Å; V178-I424 HydrophobicContact CG2-CD1 3.33Å; V178-I424 HydrophobicContact CG2-CG1 3.89Å; I302-I424 HydrophobicContact CB-CG2 4.34Å; I302-I424 HydrophobicContact CG2-CG2 3.96Å; I302-I424 WeakPolarHBondContact O-CG2 3.5Å; S303-I424 VanDerWaalsContact O-CG2 3.28Å; S303-I424 WeakPolarHBondContact O-CG2 3.27Å
425	G	85.6	Confident	90.6	Very high	37 Å²	37	42.8 Å²	42.8	38%	0.381	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	81.8	178.1	171.1	0	0	0	0	0	115.9	S303	S303-G425 WeakPolarHBondContact O-CA 3.32Å; S303-G425 PolarHBondContact O-N 3.47Å
426	E	89	Confident	90.7	Very high	140 Å²	140	41.8 Å²	41.8	65%	0.654	21%	0.205	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-80.9	151.3	174.6	-64.4	-163.8	-177.4	0	0	112.1	F428 R430	E426-F428 PolarHBondContact O-N 3.04Å; E426-R430 IonicContact OE2-NH2 3.44Å; E426-R430 PolarHBondContact OE2-NH2 3.28Å
427	E	91.3	Very high	90.8	Very high	28 Å²	28	39.5 Å²	39.5	13%	0.131	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	125.6	170.1	-64.8	177.7	-118.4	0	0	110.6	G173 E174 V175 A408 R412 R430	G173-E427 PolarHBondContact N-OE2 3.12Å; E174-E427 WeakPolarHBondContact O-CA 3.26Å; V175-E427 HydrophobicContact CG1-CB 4.23Å; V175-E427 HydrophobicContact CG1-CG 3.53Å; A408-E427 HydrophobicContact CB-CG 3.83Å; R412-E427 IonicContact CZ-OE1 2.81Å; R412-E427 VanDerWaalsContact NH1-CD 3.34Å; R412-E427 IonicContact NH1-OE1 3.35Å; R412-E427 PolarHBondContact NH1-OE1 2.93Å; R412-E427 IonicContact NH1-OE2 3.98Å; R412-E427 IonicContact NH2-OE1 3.91Å; R412-E427 PolarHBondContact NH2-OE1 3.22Å; E427-R430 HydrophobicContact CB-CG 4.01Å; E427-R430 PolarHBondContact O-NE 3.47Å; E427-R430 PolarHBondContact O-NH2 2.93Å
428	F	91.6	Very high	90.9	Very high	33 Å²	33	40.9 Å²	40.9	15%	0.145	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	166.4	172.3	62.7	-87.7	0	0	0	110.7	G173 E174 L305 Y327 F328 I405 E426 R430	G173-F428 CarbonylContact C-O 3.55Å; G173-F428 WeakPolarHBondContact CA-O 3.33Å; E174-F428 HydrophobicContact CB-CD2 4.22Å; E174-F428 HydrophobicContact CB-CE1 4.15Å; E174-F428 HydrophobicContact CB-CE2 3.72Å; E174-F428 HydrophobicContact CB-CZ 3.69Å; E174-F428 HydrophobicContact CG-CE2 4.33Å; E174-F428 PolarHBondContact N-O 3.05Å; E174-F428 VanDerWaalsContact O-CD1 3.25Å; E174-F428 WeakPolarHBondContact O-CD1 3.48Å; E174-F428 WeakPolarHBondContact O-CE1 3.5Å; E174-F428 PolarHBondContact O-N 3.23Å; E174-F428 VanDerWaalsContact O-N 3.09Å; L305-F428 HydrophobicContact CB-CE1 4.49Å; L305-F428 HydrophobicContact CD1-CE1 4.02Å; L305-F428 HydrophobicContact CD1-CZ 3.9Å; L305-F428 HydrophobicContact CD2-CD1 4.32Å; L305-F428 HydrophobicContact CD2-CD2 4.06Å; L305-F428 HydrophobicContact CD2-CE1 4.23Å; L305-F428 HydrophobicContact CD2-CE2 3.96Å; L305-F428 HydrophobicContact CD2-CG 4.23Å; L305-F428 HydrophobicContact CD2-CZ 4.03Å; L305-F428 HydrophobicContact CG-CE1 4.5Å; Y327-F428 HydrophobicContact CD1-CD2 4.36Å; Y327-F428 AromaticContact CD1-CE2 3.98Å; Y327-F428 HydrophobicContact CD1-CE2 3.98Å; Y327-F428 AromaticContact CE1-CD2 3.71Å; Y327-F428 HydrophobicContact CE1-CD2 3.71Å; Y327-F428 AromaticContact CE1-CE2 3.61Å; Y327-F428 HydrophobicContact CE1-CE2 3.61Å; F328-F428 HydrophobicContact CE2-CE2 4.4Å; F328-F428 HydrophobicContact CZ-CE2 4.19Å; F328-F428 HydrophobicContact CZ-CZ 4.27Å; I405-F428 HydrophobicContact CG2-CE1 4.43Å; I405-F428 HydrophobicContact CG2-CZ 3.67Å; E426-F428 PolarHBondContact O-N 3.04Å; F428-R430 PolarHBondContact O-N 3.02Å
429	S	90	Very high	90.9	Very high	25 Å²	25	45.5 Å²	45.5	18%	0.175	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	53.6	38.4	-174.5	-173.4	0	0	0	0	113.8	Y327 R431	Y327-S429 VanDerWaalsContact CD2-CB 3.49Å; Y327-S429 VanDerWaalsContact CD2-OG 3.22Å; Y327-S429 WeakPolarHBondContact CD2-OG 3.38Å; S429-R431 PolarHBondContact O-N 3.41Å
430	R	92.1	Very high	90.9	Very high	124 Å²	124	47.4 Å²	47.4	47%	0.468	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	126.6	-178.9	-57.9	-174.2	-166.1	177.6	3.7	111.2	L171 S172 E426 E427 F428	L171-R430 HydrophobicContact CB-CB 3.91Å; S172-R430 WeakPolarHBondContact O-CA 3.49Å; E426-R430 IonicContact OE2-NH2 3.44Å; E426-R430 PolarHBondContact OE2-NH2 3.28Å; E427-R430 HydrophobicContact CB-CG 4.01Å; E427-R430 PolarHBondContact O-NE 3.47Å; E427-R430 PolarHBondContact O-NH2 2.93Å; F428-R430 PolarHBondContact O-N 3.02Å
431	R	90.1	Very high	90.8	Very high	66 Å²	66	42.5 Å²	42.5	25%	0.249	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	150.5	-179.8	-68.3	173	-171.1	167.3	7.8	109.9	T153 L171 S172 S429	T153-R431 HydrophobicContact CG2-CB 3.11Å; T153-R431 VanDerWaalsContact CG2-CD 3.48Å; T153-R431 HydrophobicContact CG2-CG 3.93Å; L171-R431 WeakPolarHBondContact CA-O 3.46Å; S172-R431 PolarHBondContact N-O 3.03Å; S172-R431 PolarHBondContact O-N 3.44Å; S172-R431 VanDerWaalsContact O-O 3.12Å; S429-R431 PolarHBondContact O-N 3.41Å
432	P	92.1	Very high	90.7	Very high	33 Å²	33	44.9 Å²	44.9	21%	0.214	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	150.2	-176.7	26.8	-27	0	0	0	112	A154 P167 L171	A154-P432 HydrophobicContact CB-CG 4.22Å; A154-P432 PolarHBondContact N-O 2.98Å; P167-P432 HydrophobicContact CB-CB 3.7Å; P167-P432 HydrophobicContact CG-CB 3.63Å; P167-P432 HydrophobicContact CG-CG 4.17Å; L171-P432 HydrophobicContact CD2-CB 3.91Å; L171-P432 HydrophobicContact CD2-CG 4.03Å
433	Y	91.5	Very high	90.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	132.5	160.7	-52.3	-47.3	0	0	0	109.9	F82 G151 I152 P167 H168 Y169 S172 D407 A409	F82-Y433 HydrophobicContact CE1-CD2 4.02Å; F82-Y433 HydrophobicContact CE1-CE2 4.28Å; F82-Y433 HydrophobicContact CE2-CE2 4.33Å; F82-Y433 AromaticContact CZ-CD2 3.71Å; F82-Y433 HydrophobicContact CZ-CD2 3.71Å; F82-Y433 AromaticContact CZ-CE2 3.5Å; F82-Y433 HydrophobicContact CZ-CE2 3.5Å; G151-Y433 WeakPolarHBondContact O-CD1 3.24Å; G151-Y433 WeakPolarHBondContact O-CE1 3.29Å; I152-Y433 WeakPolarHBondContact O-CA 3.49Å; P167-Y433 VanDerWaalsContact CA-O 3.31Å; P167-Y433 WeakPolarHBondContact CA-O 3.35Å; H168-Y433 PolarHBondContact N-O 3.19Å; Y169-Y433 AromaticContact CD1-CD2 3.44Å; Y169-Y433 HydrophobicContact CD1-CD2 3.44Å; Y169-Y433 VanDerWaalsContact CD1-CD2 3.44Å; Y169-Y433 AromaticContact CD1-CE2 3.68Å; Y169-Y433 HydrophobicContact CD1-CE2 3.68Å; Y169-Y433 HydrophobicContact CE1-CD2 4.25Å; Y169-Y433 HydrophobicContact CE1-CE2 4.03Å; Y169-Y433 AromaticContact CG-CD2 3.88Å; Y169-Y433 HydrophobicContact CG-CD2 3.88Å; Y169-Y433 HydrophobicContact CG-CE2 4.44Å; S172-Y433 VanDerWaalsContact CB-CZ 3.41Å; S172-Y433 WeakPolarHBondContact CB-OH 3.4Å; S172-Y433 PolarHBondContact OG-OH 3.46Å; D407-Y433 PolarHBondContact OD1-OH 3.48Å; D407-Y433 PolarHBondContact OD2-OH 3.02Å; A409-Y433 HydrophobicContact CB-CE2 3.93Å; A409-Y433 WeakPolarHBondContact CB-OH 3.19Å
434	A	93	Very high	90.8	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.008	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	153.4	-177.7	0	0	0	0	0	109.7	A154 F164 T165 T436	A154-A434 HydrophobicContact CB-CB 4.46Å; F164-A434 HydrophobicContact CB-CB 3.89Å; F164-A434 HydrophobicContact CD1-CB 3.93Å; F164-A434 HydrophobicContact CG-CB 4.3Å; T165-A434 WeakPolarHBondContact O-CB 2.96Å; A434-T436 PolarHBondContact O-N 2.89Å
435	I	92.9	Very high	91	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	133.8	172.9	-60.9	-176.7	0	0	0	107	L106 V147 S148 V149 F164 T165 H168 V437 I451	L106-I435 HydrophobicContact CD1-CD1 3.51Å; V147-I435 HydrophobicContact CG1-CG2 3.3Å; S148-I435 WeakPolarHBondContact O-CA 3.4Å; S148-I435 WeakPolarHBondContact O-CG2 3.43Å; V149-I435 HydrophobicContact CG1-CD1 4.44Å; V149-I435 HydrophobicContact CG1-CG1 4.46Å; V149-I435 HydrophobicContact CG2-CD1 4.09Å; V149-I435 HydrophobicContact CG2-CG1 4.32Å; V149-I435 HydrophobicContact CG2-CG2 4.21Å; F164-I435 WeakPolarHBondContact CA-O 3.49Å; T165-I435 HydrophobicContact CG2-CB 3.76Å; T165-I435 HydrophobicContact CG2-CG2 4.16Å; T165-I435 PolarHBondContact N-O 2.92Å; T165-I435 WeakPolarHBondContact OG1-CB 3.4Å; T165-I435 PolarHBondContact OG1-N 2.87Å; T165-I435 VanDerWaalsContact OG1-N 3.13Å; H168-I435 PolarHBondContact ND1-N 3.33Å; I435-V437 HydrophobicContact CG2-CG1 4.39Å; I435-I451 HydrophobicContact CD1-CD1 3.9Å; I435-I451 HydrophobicContact CG1-CD1 4.24Å
436	T	92.6	Very high	91.3	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	132.7	-179.8	-48.8	0	0	0	0	109.4	I137 I140 V147 S148 I152 V162 F164 A434	I137-T436 HydrophobicContact CD1-CG2 4.03Å; I140-T436 HydrophobicContact CD1-CG2 3.44Å; I140-T436 VanDerWaalsContact CD1-CG2 3.44Å; V147-T436 CarbonylContact C-O 3.51Å; V147-T436 WeakPolarHBondContact CA-O 3.12Å; S148-T436 PolarHBondContact N-O 3.22Å; S148-T436 PolarHBondContact O-N 2.96Å; I152-T436 WeakPolarHBondContact CG2-OG1 3.29Å; V162-T436 HydrophobicContact CB-CG2 3.69Å; V162-T436 HydrophobicContact CG1-CG2 4.21Å; V162-T436 HydrophobicContact CG2-CG2 3.53Å; F164-T436 HydrophobicContact CD1-CG2 4.33Å; F164-T436 HydrophobicContact CE1-CG2 3.97Å; F164-T436 WeakPolarHBondContact CE1-OG1 3.46Å; F164-T436 HydrophobicContact CZ-CG2 4.38Å; A434-T436 PolarHBondContact O-N 2.89Å
437	V	92.8	Very high	91.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	162.8	177.4	-59.6	0	0	0	0	110.2	V147 D163 I435 L443 K444 F447	V147-V437 HydrophobicContact CG1-CG1 4.18Å; V147-V437 HydrophobicContact CG2-CG1 4.15Å; D163-V437 HydrophobicContact CB-CG2 3.72Å; D163-V437 PolarHBondContact N-O 3.36Å; D163-V437 PolarHBondContact O-N 2.94Å; I435-V437 HydrophobicContact CG2-CG1 4.39Å; V437-L443 HydrophobicContact CG1-CB 4.22Å; V437-K444 HydrophobicContact CG2-CB 3.89Å; V437-K444 HydrophobicContact CG2-CG 4.48Å; V437-F447 HydrophobicContact CG1-CD2 4.45Å
438	Q	91.5	Very high	91.6	Very high	63 Å²	63	43.3 Å²	43.3	29%	0.294	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	144.7	172.9	-66.9	-177.8	31.8	0	0	111.1	I140 A145 G440 S441	I140-Q438 HydrophobicContact CG2-CB 4.45Å; I140-Q438 HydrophobicContact CG2-CG 3.76Å; I140-Q438 WeakPolarHBondContact O-CG 3.4Å; A145-Q438 PolarHBondContact O-NE2 2.79Å; Q438-G440 PolarHBondContact O-N 3.5Å; Q438-S441 WeakPolarHBondContact O-CB 3.34Å; Q438-S441 PolarHBondContact O-N 3.38Å; Q438-S441 VanDerWaalsContact O-N 3.09Å
439	Q	92	Very high	91.8	Very high	124 Å²	124	45.6 Å²	45.6	58%	0.579	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	128.9	-179.7	-173.4	169.8	39.4	0	0	111	R160 D163 S441	R160-Q439 PolarHBondContact O-NE2 2.89Å; R160-Q439 VanDerWaalsContact O-NE2 3.11Å; D163-Q439 WeakPolarHBondContact OD2-CA 3.24Å; Q439-S441 VanDerWaalsContact C-N 3.31Å
440	G	89.8	Confident	92	Very high	71 Å²	71	44.8 Å²	44.8	73%	0.732	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	78	8.1	-177.6	0	0	0	0	0	115.1	D163 Q438	D163-G440 PolarHBondContact OD2-N 3.47Å; Q438-G440 PolarHBondContact O-N 3.5Å
441	S	89.1	Confident	92.1	Very high	30 Å²	30	38.9 Å²	38.9	21%	0.21	23%	0.23	C	C	.	.			trans	-72.4	133.4	177.9	-176.9	0	0	0	0	112.3	Q438 Q439 L443 K444	Q438-S441 WeakPolarHBondContact O-CB 3.34Å; Q438-S441 PolarHBondContact O-N 3.38Å; Q438-S441 VanDerWaalsContact O-N 3.09Å; Q439-S441 VanDerWaalsContact C-N 3.31Å; S441-L443 PolarHBondContact O-N 2.99Å; S441-L443 VanDerWaalsContact O-N 3.14Å; S441-L443 WeakPolarHBondContact OG-CB 3.36Å; S441-L443 WeakPolarHBondContact OG-CG 3.35Å; S441-L443 PolarHBondContact OG-N 3.37Å; S441-K444 VanDerWaalsContact O-CB 3.31Å; S441-K444 WeakPolarHBondContact O-CB 3.12Å; S441-K444 PolarHBondContact O-N 2.96Å; S441-K444 VanDerWaalsContact O-N 3.1Å
442	C	89.7	Confident	92.3	Very high	56 Å²	56	39 Å²	39	38%	0.378	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-17.2	172.6	60.1	0	0	0	0	113.6	C32 K444 D445 T446	C32-C442 WeakPolarHBondContact SG-CB 3.5Å; C32-C442 PolarHBondContact SG-SG 3.13Å; C442-K444 PolarHBondContact O-N 3.43Å; C442-D445 PolarHBondContact O-N 2.9Å; C442-T446 PolarHBondContact O-N 3.45Å; C442-T446 PolarHBondContact O-OG1 3.38Å; C442-T446 VanDerWaalsContact O-OG1 3.05Å
443	L	89.9	Confident	92.5	Very high	27 Å²	27	41.9 Å²	41.9	14%	0.141	24%	0.244	C	C	.	.	H	α-helix	trans	-62.3	-27.5	174.9	-64.1	177.2	0	0	0	111.5	T67 V147 V437 S441 D445 T446 F447	T67-L443 HydrophobicContact CG2-CD1 3.57Å; V147-L443 HydrophobicContact CG2-CD1 3.61Å; V437-L443 HydrophobicContact CG1-CB 4.22Å; S441-L443 PolarHBondContact O-N 2.99Å; S441-L443 VanDerWaalsContact O-N 3.14Å; S441-L443 WeakPolarHBondContact OG-CB 3.36Å; S441-L443 WeakPolarHBondContact OG-CG 3.35Å; S441-L443 PolarHBondContact OG-N 3.37Å; L443-D445 PolarHBondContact O-N 2.87Å; L443-T446 PolarHBondContact O-N 3.01Å; L443-F447 HydrophobicContact CB-CD2 3.89Å; L443-F447 HydrophobicContact CB-CE2 3.87Å; L443-F447 HydrophobicContact CD1-CE2 4.43Å; L443-F447 HydrophobicContact CD2-CE2 4.09Å; L443-F447 HydrophobicContact CG-CE2 4.35Å; L443-F447 WeakPolarHBondContact O-CB 3.47Å; L443-F447 WeakPolarHBondContact O-CD2 3.28Å; L443-F447 PolarHBondContact O-N 2.96Å
444	K	92	Very high	92.7	Very high	63 Å²	63	42 Å²	42	27%	0.274	24%	0.244	S	C	.	.	H	α-helix	trans	-54.2	-54.6	177.8	-175.6	-172.3	-175.4	166.9	0	111.4	D163 F164 V437 S441 C442 S448	D163-K444 HydrophobicContact CB-CD 3.92Å; D163-K444 HydrophobicContact CB-CG 4.41Å; D163-K444 IonicContact OD1-NZ 2.66Å; D163-K444 PolarHBondContact OD1-NZ 3.48Å; F164-K444 WeakPolarHBondContact O-CE 3.46Å; V437-K444 HydrophobicContact CG2-CB 3.89Å; V437-K444 HydrophobicContact CG2-CG 4.48Å; S441-K444 VanDerWaalsContact O-CB 3.31Å; S441-K444 WeakPolarHBondContact O-CB 3.12Å; S441-K444 PolarHBondContact O-N 2.96Å; S441-K444 VanDerWaalsContact O-N 3.1Å; C442-K444 PolarHBondContact O-N 3.43Å; K444-S448 WeakPolarHBondContact O-CB 3.47Å; K444-S448 PolarHBondContact O-N 3.23Å; K444-S448 PolarHBondContact O-OG 2.88Å
445	D	92.2	Very high	92.7	Very high	109 Å²	109	45.2 Å²	45.2	58%	0.583	26%	0.261	S	S	*	.	H	α-helix	trans	-72.2	-41.8	-175.5	-62.8	-34.4	0	0	0	110.6	C442 L443 F447 S448 S449	C442-D445 PolarHBondContact O-N 2.9Å; L443-D445 PolarHBondContact O-N 2.87Å; D445-F447 PolarHBondContact O-N 3.47Å; D445-S448 PolarHBondContact O-N 3.38Å; D445-S449 PolarHBondContact O-N 2.94Å; D445-S449 PolarHBondContact O-OG 2.96Å
446	T	91.9	Very high	92.8	Very high	62 Å²	62	51.8 Å²	51.8	38%	0.38	30%	0.296	S	S	.	.	H	α-helix	trans	-58.3	-50.4	178.1	-52.5	0	0	0	0	111.8	L110 C442 L443 A450	L110-T446 HydrophobicContact CD1-CG2 3.96Å; L110-T446 HydrophobicContact CD2-CG2 3.69Å; L110-T446 HydrophobicContact CG-CG2 4.45Å; C442-T446 PolarHBondContact O-N 3.45Å; C442-T446 PolarHBondContact O-OG1 3.38Å; C442-T446 VanDerWaalsContact O-OG1 3.05Å; L443-T446 PolarHBondContact O-N 3.01Å; T446-A450 PolarHBondContact O-N 3.5Å; T446-A450 VanDerWaalsContact O-N 3.12Å
447	F	92.9	Very high	92.9	Very high	3 Å²	3	55.9 Å²	55.9	1%	0.013	32%	0.315	C	S	.	.	H	α-helix	trans	-68.4	-37.9	176.1	-76.4	-58.8	0	0	0	112.2	F69 L106 L110 F112 V147 T165 V437 L443 D445 S449 A450 I451	F69-F447 HydrophobicContact CE1-CE1 4.13Å; F69-F447 HydrophobicContact CE1-CE2 4.21Å; F69-F447 AromaticContact CE1-CZ 3.47Å; F69-F447 HydrophobicContact CE1-CZ 3.47Å; F69-F447 VanDerWaalsContact CE1-CZ 3.47Å; F69-F447 HydrophobicContact CZ-CE1 4.43Å; F69-F447 AromaticContact CZ-CZ 3.66Å; F69-F447 HydrophobicContact CZ-CZ 3.66Å; L106-F447 HydrophobicContact CB-CE1 4.43Å; L106-F447 HydrophobicContact CD1-CD1 3.98Å; L106-F447 HydrophobicContact CD1-CE1 4.28Å; L106-F447 HydrophobicContact CD2-CD1 4.33Å; L110-F447 HydrophobicContact CD1-CD1 3.79Å; L110-F447 HydrophobicContact CD1-CE1 3.78Å; F112-F447 AromaticContact CE1-CE1 3.78Å; F112-F447 HydrophobicContact CE1-CE1 3.78Å; F112-F447 HydrophobicContact CE1-CZ 4.26Å; F112-F447 HydrophobicContact CZ-CE1 4.07Å; F112-F447 HydrophobicContact CZ-CZ 4.43Å; V147-F447 HydrophobicContact CG1-CE2 4.14Å; V147-F447 HydrophobicContact CG2-CE2 3.83Å; T165-F447 HydrophobicContact CG2-CB 3.67Å; V437-F447 HydrophobicContact CG1-CD2 4.45Å; L443-F447 HydrophobicContact CB-CD2 3.89Å; L443-F447 HydrophobicContact CB-CE2 3.87Å; L443-F447 HydrophobicContact CD1-CE2 4.43Å; L443-F447 HydrophobicContact CD2-CE2 4.09Å; L443-F447 HydrophobicContact CG-CE2 4.35Å; L443-F447 WeakPolarHBondContact O-CB 3.47Å; L443-F447 WeakPolarHBondContact O-CD2 3.28Å; L443-F447 PolarHBondContact O-N 2.96Å; D445-F447 PolarHBondContact O-N 3.47Å; F447-S449 PolarHBondContact O-N 2.96Å; F447-A450 PolarHBondContact O-N 3.45Å; F447-I451 WeakPolarHBondContact O-CB 3.37Å; F447-I451 WeakPolarHBondContact O-CD1 3.36Å; F447-I451 WeakPolarHBondContact O-CG1 3.43Å; F447-I451 PolarHBondContact O-N 3Å
448	S	94.2	Very high	93	Very high	20 Å²	20	63.9 Å²	63.9	14%	0.14	35%	0.346	C	S	.	.	H	α-helix	trans	-61.4	-44.7	178.1	-62.8	0	0	0	0	111.6	T165 F166 K444 D445 I451 L452	T165-S448 VanDerWaalsContact CA-OG 3.31Å; T165-S448 WeakPolarHBondContact CA-OG 3.39Å; T165-S448 WeakPolarHBondContact CB-OG 3.37Å; F166-S448 PolarHBondContact N-OG 2.95Å; K444-S448 WeakPolarHBondContact O-CB 3.47Å; K444-S448 PolarHBondContact O-N 3.23Å; K444-S448 PolarHBondContact O-OG 2.88Å; D445-S448 PolarHBondContact O-N 3.38Å; S448-I451 PolarHBondContact O-N 2.81Å; S448-L452 WeakPolarHBondContact O-CB 3.44Å; S448-L452 VanDerWaalsContact O-CG 3.29Å; S448-L452 WeakPolarHBondContact O-CG 3.34Å; S448-L452 PolarHBondContact O-N 3.43Å
449	S	94.7	Very high	93.1	Very high	81 Å²	81	63.4 Å²	63.4	57%	0.566	34%	0.343	S	S	*	.	H	α-helix	trans	-62.8	-41.1	174.8	-62.6	0	0	0	0	112.3	D445 F447 L452 K453	D445-S449 PolarHBondContact O-N 2.94Å; D445-S449 PolarHBondContact O-OG 2.96Å; F447-S449 PolarHBondContact O-N 2.96Å; S449-L452 PolarHBondContact O-N 3.34Å; S449-K453 PolarHBondContact O-N 3.16Å
450	A	94.6	Very high	93.2	Very high	7 Å²	7	58 Å²	58	6%	0.058	32%	0.318	C	S	.	.	H	α-helix	trans	-65.3	-43.8	176.4	0	0	0	0	0	112.3	L106 L110 T446 F447 L452 K453 L454	L106-A450 HydrophobicContact CD2-CB 3.64Å; L110-A450 HydrophobicContact CD1-CB 3.87Å; L110-A450 HydrophobicContact CD2-CB 4.2Å; L110-A450 HydrophobicContact CG-CB 4.03Å; T446-A450 PolarHBondContact O-N 3.5Å; T446-A450 VanDerWaalsContact O-N 3.12Å; F447-A450 PolarHBondContact O-N 3.45Å; A450-L452 VanDerWaalsContact C-N 3.34Å; A450-L452 PolarHBondContact O-N 3.27Å; A450-K453 WeakPolarHBondContact O-CB 3.26Å; A450-K453 PolarHBondContact O-N 3.22Å; A450-K453 VanDerWaalsContact O-N 3.16Å; A450-L454 WeakPolarHBondContact O-CG 3.46Å; A450-L454 PolarHBondContact O-N 3.47Å
451	I	94.7	Very high	93.3	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-61.6	-43.1	176.5	-67.7	164.5	0	0	0	110.7	L106 T165 F166 H168 I435 F447 S448 K453 L454 L455 L460	L106-I451 HydrophobicContact CD2-CG1 4.16Å; T165-I451 WeakPolarHBondContact OG1-CD1 3.25Å; F166-I451 HydrophobicContact CD1-CG2 3.99Å; F166-I451 WeakPolarHBondContact O-CD1 3.43Å; H168-I451 HydrophobicContact CB-CD1 4.32Å; H168-I451 HydrophobicContact CB-CG2 4.28Å; I435-I451 HydrophobicContact CD1-CD1 3.9Å; I435-I451 HydrophobicContact CG1-CD1 4.24Å; F447-I451 WeakPolarHBondContact O-CB 3.37Å; F447-I451 WeakPolarHBondContact O-CD1 3.36Å; F447-I451 WeakPolarHBondContact O-CG1 3.43Å; F447-I451 PolarHBondContact O-N 3Å; S448-I451 PolarHBondContact O-N 2.81Å; I451-K453 VanDerWaalsContact C-N 3.28Å; I451-K453 PolarHBondContact O-N 3.01Å; I451-L454 PolarHBondContact O-N 3.42Å; I451-L455 WeakPolarHBondContact O-CB 3.31Å; I451-L455 PolarHBondContact O-N 3.08Å; I451-L460 HydrophobicContact CG2-CD1 4.08Å
452	L	94.9	Very high	93.6	Very high	68 Å²	68	63.7 Å²	63.7	36%	0.356	32%	0.324	S	S	.	.	H	α-helix	trans	-61.5	-37.3	175.8	-73.7	171.5	0	0	0	112.1	F166 S448 S449 A450 L455 N456	F166-L452 HydrophobicContact CB-CG 4.49Å; F166-L452 HydrophobicContact CD1-CD2 3.73Å; F166-L452 HydrophobicContact CD1-CG 4.25Å; F166-L452 HydrophobicContact CD2-CD2 3.89Å; F166-L452 HydrophobicContact CD2-CG 4.43Å; F166-L452 HydrophobicContact CE1-CD2 3.69Å; F166-L452 HydrophobicContact CE2-CD2 3.85Å; F166-L452 HydrophobicContact CG-CD2 3.83Å; F166-L452 HydrophobicContact CG-CG 4.12Å; F166-L452 HydrophobicContact CZ-CD2 3.75Å; S448-L452 WeakPolarHBondContact O-CB 3.44Å; S448-L452 VanDerWaalsContact O-CG 3.29Å; S448-L452 WeakPolarHBondContact O-CG 3.34Å; S448-L452 PolarHBondContact O-N 3.43Å; S449-L452 PolarHBondContact O-N 3.34Å; A450-L452 VanDerWaalsContact C-N 3.34Å; A450-L452 PolarHBondContact O-N 3.27Å; L452-L455 PolarHBondContact O-N 3.43Å; L452-N456 VanDerWaalsContact O-CG 3.32Å; L452-N456 PolarHBondContact O-N 3.39Å; L452-N456 PolarHBondContact O-ND2 2.91Å
453	K	95.3	Very high	93.8	Very high	95 Å²	95	61.9 Å²	61.9	41%	0.413	31%	0.311	S	S	.	.	H	α-helix	trans	-63.6	-48.4	172.9	-170.9	-176.1	177.3	-167.6	0	111.4	E109 S449 A450 I451 L455 N456 E457	E109-K453 WeakPolarHBondContact OE2-CE 3.47Å; E109-K453 IonicContact OE2-NZ 3.77Å; E109-K453 PolarHBondContact OE2-NZ 3.35Å; S449-K453 PolarHBondContact O-N 3.16Å; A450-K453 WeakPolarHBondContact O-CB 3.26Å; A450-K453 PolarHBondContact O-N 3.22Å; A450-K453 VanDerWaalsContact O-N 3.16Å; I451-K453 VanDerWaalsContact C-N 3.28Å; I451-K453 PolarHBondContact O-N 3.01Å; K453-L455 VanDerWaalsContact C-N 3.27Å; K453-L455 PolarHBondContact O-N 2.96Å; K453-N456 PolarHBondContact O-N 2.94Å; K453-E457 VanDerWaalsContact CE-OE1 3.24Å; K453-E457 WeakPolarHBondContact CE-OE1 3.47Å; K453-E457 WeakPolarHBondContact O-CG 3.43Å; K453-E457 PolarHBondContact O-N 3.44Å
454	L	95.3	Very high	93.9	Very high	1 Å²	1	64 Å²	64	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-60.4	-35.3	176.8	-64.3	178.8	0	0	0	112.6	L102 E105 L106 E109 A450 I451 R458 K459 L460	L102-L454 HydrophobicContact CD1-CD1 4.09Å; E105-L454 HydrophobicContact CB-CD1 4.11Å; E105-L454 HydrophobicContact CB-CD2 4.12Å; L106-L454 HydrophobicContact CD2-CD1 3.73Å; L106-L454 HydrophobicContact CG-CD1 4.14Å; E109-L454 HydrophobicContact CG-CD2 3.97Å; A450-L454 WeakPolarHBondContact O-CG 3.46Å; A450-L454 PolarHBondContact O-N 3.47Å; I451-L454 PolarHBondContact O-N 3.42Å; L454-R458 PolarHBondContact O-N 3Å; L454-K459 HydrophobicContact CB-CB 4.4Å; L454-K459 HydrophobicContact CD2-CB 4.33Å; L454-K459 HydrophobicContact CD2-CD 3.42Å; L454-K459 VanDerWaalsContact CD2-CD 3.42Å; L454-K459 PolarHBondContact O-N 3.01Å; L454-L460 HydrophobicContact CB-CD2 4.22Å; L454-L460 HydrophobicContact CB-CG 4.1Å; L454-L460 HydrophobicContact CD1-CD2 4.45Å
455	L	93.6	Very high	93.9	Very high	69 Å²	69	65.3 Å²	65.3	36%	0.361	33%	0.326	S	S	.	.	H	α-helix	trans	-66.7	-47.5	175.1	-175.5	68.5	0	0	0	111.3	F166 I451 L452 K453 E457 R458 L460	F166-L455 HydrophobicContact CE1-CD2 3.99Å; I451-L455 WeakPolarHBondContact O-CB 3.31Å; I451-L455 PolarHBondContact O-N 3.08Å; L452-L455 PolarHBondContact O-N 3.43Å; K453-L455 VanDerWaalsContact C-N 3.27Å; K453-L455 PolarHBondContact O-N 2.96Å; L455-E457 PolarHBondContact O-N 2.82Å; L455-R458 PolarHBondContact O-N 3.33Å; L455-L460 HydrophobicContact CB-CD1 3.95Å; L455-L460 HydrophobicContact CD1-CD1 4.05Å
456	N	94.8	Very high	94	Very high	138 Å²	138	64.8 Å²	64.8	74%	0.738	32%	0.318	S	S	*	.	H	α-helix	trans	-61.4	-33.2	177.4	-74.8	-24.1	0	0	0	112.3	L452 K453 R458	L452-N456 VanDerWaalsContact O-CG 3.32Å; L452-N456 PolarHBondContact O-N 3.39Å; L452-N456 PolarHBondContact O-ND2 2.91Å; K453-N456 PolarHBondContact O-N 2.94Å; N456-R458 VanDerWaalsContact C-N 3.27Å; N456-R458 PolarHBondContact O-N 2.88Å
457	E	95.3	Very high	93.9	Very high	86 Å²	86	62.1 Å²	62.1	40%	0.402	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-0.2	175.3	-68	175.9	-174.8	0	0	113.8	K453 L455 K459	K453-E457 VanDerWaalsContact CE-OE1 3.24Å; K453-E457 WeakPolarHBondContact CE-OE1 3.47Å; K453-E457 WeakPolarHBondContact O-CG 3.43Å; K453-E457 PolarHBondContact O-N 3.44Å; L455-E457 PolarHBondContact O-N 2.82Å; E457-K459 HydrophobicContact CB-CD 4.4Å; E457-K459 HydrophobicContact CB-CG 4.13Å; E457-K459 PolarHBondContact O-N 3.16Å; E457-K459 VanDerWaalsContact O-N 3.16Å; E457-K459 WeakPolarHBondContact OE2-CD 3.35Å; E457-K459 WeakPolarHBondContact OE2-CE 3.29Å; E457-K459 IonicContact OE2-NZ 2.79Å; E457-K459 PolarHBondContact OE2-NZ 2.92Å
458	R	94.3	Very high	93.7	Very high	169 Å²	169	62.8 Å²	62.8	64%	0.638	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	16.7	-174.4	-56.7	-175.3	-177.5	-173.7	-2.1	115.1	L454 L455 N456 L460 E461 I462	L454-R458 PolarHBondContact O-N 3Å; L455-R458 PolarHBondContact O-N 3.33Å; N456-R458 VanDerWaalsContact C-N 3.27Å; N456-R458 PolarHBondContact O-N 2.88Å; R458-L460 VanDerWaalsContact C-N 3.29Å; R458-L460 PolarHBondContact O-N 3.13Å; R458-E461 PolarHBondContact O-N 3.4Å; R458-I462 WeakPolarHBondContact O-CG1 3.38Å; R458-I462 PolarHBondContact O-N 3.43Å
459	K	94.3	Very high	93.4	Very high	52 Å²	52	67.1 Å²	67.1	23%	0.226	32%	0.322	C	S	.	.	H	α-helix	trans	-62.8	-37.6	176.9	-72.8	178.5	172.6	-174.8	0	111.6	E105 E109 L454 E457 E461 I462 L463	E105-K459 WeakPolarHBondContact OE2-CE 3.29Å; E105-K459 IonicContact OE2-NZ 2.73Å; E105-K459 PolarHBondContact OE2-NZ 3.33Å; E109-K459 IonicContact OE1-NZ 2.7Å; E109-K459 PolarHBondContact OE1-NZ 3.36Å; L454-K459 HydrophobicContact CB-CB 4.4Å; L454-K459 HydrophobicContact CD2-CB 4.33Å; L454-K459 HydrophobicContact CD2-CD 3.42Å; L454-K459 VanDerWaalsContact CD2-CD 3.42Å; L454-K459 PolarHBondContact O-N 3.01Å; E457-K459 HydrophobicContact CB-CD 4.4Å; E457-K459 HydrophobicContact CB-CG 4.13Å; E457-K459 PolarHBondContact O-N 3.16Å; E457-K459 VanDerWaalsContact O-N 3.16Å; E457-K459 WeakPolarHBondContact OE2-CD 3.35Å; E457-K459 WeakPolarHBondContact OE2-CE 3.29Å; E457-K459 IonicContact OE2-NZ 2.79Å; E457-K459 PolarHBondContact OE2-NZ 2.92Å; K459-E461 PolarHBondContact O-N 2.76Å; K459-I462 PolarHBondContact O-N 3.08Å; K459-L463 WeakPolarHBondContact O-CG 3.32Å; K459-L463 PolarHBondContact O-N 3.14Å
460	L	92.9	Very high	93.1	Very high	11 Å²	11	67.9 Å²	67.9	6%	0.058	32%	0.32	C	S	.	.	H	α-helix	trans	-64.1	-37.9	177.5	-61.4	-178.9	0	0	0	112.6	L102 I451 L454 L455 R458 L463 K464	L102-L460 HydrophobicContact CD1-CD2 3.57Å; I451-L460 HydrophobicContact CG2-CD1 4.08Å; L454-L460 HydrophobicContact CB-CD2 4.22Å; L454-L460 HydrophobicContact CB-CG 4.1Å; L454-L460 HydrophobicContact CD1-CD2 4.45Å; L455-L460 HydrophobicContact CB-CD1 3.95Å; L455-L460 HydrophobicContact CD1-CD1 4.05Å; R458-L460 VanDerWaalsContact C-N 3.29Å; R458-L460 PolarHBondContact O-N 3.13Å; L460-L463 PolarHBondContact O-N 3.2Å; L460-K464 WeakPolarHBondContact O-CB 3.38Å; L460-K464 PolarHBondContact O-N 2.81Å
461	E	93.2	Very high	92.8	Very high	112 Å²	112	67.8 Å²	67.8	52%	0.523	32%	0.318	S	S	.	.	H	α-helix	trans	-65.1	-42.9	175.5	-66.1	-177.2	159.4	0	0	111.3	R458 K459 L463 K464 E465	R458-E461 PolarHBondContact O-N 3.4Å; K459-E461 PolarHBondContact O-N 2.76Å; E461-L463 PolarHBondContact O-N 2.84Å; E461-K464 WeakPolarHBondContact O-CB 3.25Å; E461-K464 PolarHBondContact O-N 3.48Å; E461-E465 WeakPolarHBondContact O-CB 3.39Å; E461-E465 PolarHBondContact O-N 2.99Å
462	I	94.9	Very high	92.4	Very high	109 Å²	109	72.5 Å²	72.5	56%	0.559	35%	0.348	S	S	*	.	H	α-helix	trans	-61.6	-44.6	176.7	-64.9	166.8	0	0	0	110.7	R458 K459 E465 K466	R458-I462 WeakPolarHBondContact O-CG1 3.38Å; R458-I462 PolarHBondContact O-N 3.43Å; K459-I462 PolarHBondContact O-N 3.08Å; I462-E465 PolarHBondContact O-N 2.98Å; I462-K466 WeakPolarHBondContact O-CB 3.41Å; I462-K466 PolarHBondContact O-N 3.36Å
463	L	93.6	Very high	91.9	Very high	18 Å²	18	74.8 Å²	74.8	9%	0.094	36%	0.356	C	S	.	.	H	α-helix	trans	-63.3	-42.6	176.1	-69.5	179.8	0	0	0	111.4	Y98 D101 E105 K459 L460 E461 K466 W467	Y98-L463 HydrophobicContact CD2-CB 3.84Å; Y98-L463 HydrophobicContact CE2-CB 3.58Å; D101-L463 HydrophobicContact CB-CD1 4.46Å; D101-L463 HydrophobicContact CB-CD2 3.63Å; E105-L463 HydrophobicContact CG-CD1 4.49Å; K459-L463 WeakPolarHBondContact O-CG 3.32Å; K459-L463 PolarHBondContact O-N 3.14Å; L460-L463 PolarHBondContact O-N 3.2Å; E461-L463 PolarHBondContact O-N 2.84Å; L463-K466 PolarHBondContact O-N 3.36Å; L463-W467 VanDerWaalsContact O-CD1 3.22Å; L463-W467 PolarHBondContact O-N 3.43Å; L463-W467 VanDerWaalsContact O-N 3.13Å
464	K	92	Very high	91.5	Very high	70 Å²	70	74.7 Å²	74.7	30%	0.304	36%	0.355	S	S	.	.	H	α-helix	trans	-61	-46	175.9	-178.7	-179.8	-177.3	-174.7	0	111.8	Y169 D170 L460 E461 W467 W468	Y169-K464 HydrophobicContact CE2-CD 4.21Å; Y169-K464 HydrophobicContact CE2-CG 4.05Å; D170-K464 IonicContact OD2-NZ 2.7Å; D170-K464 PolarHBondContact OD2-NZ 3.25Å; L460-K464 WeakPolarHBondContact O-CB 3.38Å; L460-K464 PolarHBondContact O-N 2.81Å; E461-K464 WeakPolarHBondContact O-CB 3.25Å; E461-K464 PolarHBondContact O-N 3.48Å; K464-W467 PolarHBondContact O-N 2.96Å; K464-W468 HydrophobicContact CG-CE3 4.31Å; K464-W468 PolarHBondContact O-N 3.32Å
465	E	92.6	Very high	91.2	Very high	92 Å²	92	80.4 Å²	80.4	43%	0.43	38%	0.38	S	S	.	.	H	α-helix	trans	-62.7	-44.2	178.3	-169.4	-177.7	158.4	0	0	111.5	E461 I462 W467 Q469 N470	E461-E465 WeakPolarHBondContact O-CB 3.39Å; E461-E465 PolarHBondContact O-N 2.99Å; I462-E465 PolarHBondContact O-N 2.98Å; E465-W467 VanDerWaalsContact C-N 3.33Å; E465-W467 PolarHBondContact O-N 3.43Å; E465-Q469 HydrophobicContact CG-CB 3.95Å; E465-Q469 HydrophobicContact CG-CG 4.22Å; E465-Q469 WeakPolarHBondContact O-CA 3.31Å; E465-Q469 WeakPolarHBondContact O-CB 3.42Å; E465-Q469 PolarHBondContact O-N 3.45Å; E465-N470 PolarHBondContact O-N 3.12Å; E465-N470 PolarHBondContact OE1-ND2 3.39Å
466	K	93.4	Very high	90.8	Very high	97 Å²	97	85.1 Å²	85.1	42%	0.422	41%	0.406	S	S	.	.	H	α-helix	trans	-54.4	-48.3	176.2	-178.7	-175.3	175.8	-169.9	0	111.9	D101 I462 L463 N470 H471	D101-K466 IonicContact OD1-NZ 2.94Å; D101-K466 IonicContact OD2-NZ 3.5Å; D101-K466 PolarHBondContact OD2-NZ 3.06Å; I462-K466 WeakPolarHBondContact O-CB 3.41Å; I462-K466 PolarHBondContact O-N 3.36Å; L463-K466 PolarHBondContact O-N 3.36Å; K466-N470 CarbonylContact O-C 3.51Å; K466-H471 PolarHBondContact O-N 3.46Å
467	W	91.3	Very high	90.2	Very high	6 Å²	6	80.3 Å²	80.3	2%	0.023	38%	0.383	C	S	.	.	H	α-helix	trans	-88.7	-30.5	-171.2	-73.1	106.4	0	0	0	114.7	P81 Q96 G97 Y98 D101 L463 K464 E465 H471	P81-W467 HydrophobicContact CB-CB 4.12Å; P81-W467 HydrophobicContact CB-CE3 4.1Å; P81-W467 HydrophobicContact CG-CB 4.48Å; Q96-W467 HydrophobicContact CB-CH2 3.91Å; Q96-W467 HydrophobicContact CB-CZ2 4.49Å; Q96-W467 HydrophobicContact CG-CH2 3.86Å; Q96-W467 HydrophobicContact CG-CZ3 4.48Å; G97-W467 VanDerWaalsContact C-CZ2 3.43Å; G97-W467 VanDerWaalsContact N-CH2 3.28Å; G97-W467 VanDerWaalsContact N-CZ2 3.27Å; Y98-W467 AromaticContact CD2-CD1 3.95Å; D101-W467 WeakPolarHBondContact OD2-CZ2 3.28Å; D101-W467 PolarHBondContact OD2-NE1 3.49Å; L463-W467 VanDerWaalsContact O-CD1 3.22Å; L463-W467 PolarHBondContact O-N 3.43Å; L463-W467 VanDerWaalsContact O-N 3.13Å; K464-W467 PolarHBondContact O-N 2.96Å; E465-W467 VanDerWaalsContact C-N 3.33Å; E465-W467 PolarHBondContact O-N 3.43Å; W467-H471 AromaticContact CE3-CD2 3.8Å; W467-H471 AromaticContact CE3-NE2 3.95Å; W467-H471 AromaticContact CZ3-NE2 3.96Å; W467-H471 PolarHBondContact O-CD2 2.75Å
468	W	88.9	Confident	89.2	Confident	18 Å²	18	79.5 Å²	79.5	7%	0.068	39%	0.385	C	S	.	.	H	α-helix	trans	-105.5	-21.8	180	-80.7	-90.3	0	0	0	114.9	P81 F82 Y98 Y169 A409 L416 K464	P81-W468 HydrophobicContact CG-CD2 3.86Å; P81-W468 HydrophobicContact CG-CE3 4.18Å; P81-W468 HydrophobicContact CG-CH2 3.66Å; P81-W468 HydrophobicContact CG-CZ2 3.25Å; P81-W468 HydrophobicContact CG-CZ3 4.1Å; F82-W468 HydrophobicContact CD1-CH2 4.41Å; F82-W468 AromaticContact CE1-CH2 3.87Å; F82-W468 HydrophobicContact CE1-CH2 3.87Å; F82-W468 HydrophobicContact CE1-CZ2 4.33Å; F82-W468 HydrophobicContact CE2-CH2 4.24Å; F82-W468 AromaticContact CE2-CZ2 3.93Å; F82-W468 HydrophobicContact CE2-CZ2 3.93Å; F82-W468 AromaticContact CZ-CH2 3.76Å; F82-W468 HydrophobicContact CZ-CH2 3.76Å; F82-W468 AromaticContact CZ-CZ2 3.75Å; F82-W468 HydrophobicContact CZ-CZ2 3.75Å; Y98-W468 HydrophobicContact CD1-CH2 4.21Å; Y98-W468 HydrophobicContact CD1-CZ3 4.24Å; Y98-W468 AromaticContact CD2-CZ3 3.76Å; Y98-W468 HydrophobicContact CD2-CZ3 3.76Å; Y98-W468 HydrophobicContact CE2-CZ3 4.34Å; Y98-W468 HydrophobicContact CG-CH2 4.04Å; Y98-W468 AromaticContact CG-CZ3 3.7Å; Y98-W468 HydrophobicContact CG-CZ3 3.7Å; Y169-W468 HydrophobicContact CD2-CH2 4.07Å; Y169-W468 HydrophobicContact CD2-CZ3 4.15Å; Y169-W468 HydrophobicContact CE2-CD2 4.22Å; Y169-W468 AromaticContact CE2-CE3 3.93Å; Y169-W468 HydrophobicContact CE2-CE3 3.93Å; Y169-W468 AromaticContact CE2-CH2 3.62Å; Y169-W468 HydrophobicContact CE2-CH2 3.62Å; Y169-W468 AromaticContact CE2-CZ2 3.93Å; Y169-W468 HydrophobicContact CE2-CZ2 3.93Å; Y169-W468 AromaticContact CE2-CZ3 3.63Å; Y169-W468 HydrophobicContact CE2-CZ3 3.63Å; A409-W468 HydrophobicContact CB-CZ2 3.94Å; A409-W468 PolarHBondContact O-NE1 2.99Å; L416-W468 WeakPolarHBondContact CD1-O 3.35Å; K464-W468 HydrophobicContact CG-CE3 4.31Å; K464-W468 PolarHBondContact O-N 3.32Å
469	Q	87	Confident	87.9	Confident	110 Å²	110	74.1 Å²	74.1	51%	0.514	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-40.9	180	-59.1	-172.3	16.8	0	0	112.8	E465 K474	E465-Q469 HydrophobicContact CG-CB 3.95Å; E465-Q469 HydrophobicContact CG-CG 4.22Å; E465-Q469 WeakPolarHBondContact O-CA 3.31Å; E465-Q469 WeakPolarHBondContact O-CB 3.42Å; E465-Q469 PolarHBondContact O-N 3.45Å; Q469-K474 WeakPolarHBondContact O-CD 3.29Å; Q469-K474 WeakPolarHBondContact O-CE 3.4Å; Q469-K474 PolarHBondContact O-NZ 3.43Å
470	N	89.2	Confident	86.3	Confident	98 Å²	98	75.3 Å²	75.3	52%	0.524	39%	0.385	S	S	.	.	S	Bend	trans	-111.6	31.5	-174.6	-64.7	-34	0	0	0	112.2	E465 K466	E465-N470 PolarHBondContact O-N 3.12Å; E465-N470 PolarHBondContact OE1-ND2 3.39Å; K466-N470 CarbonylContact O-C 3.51Å
471	H	87.8	Confident	84.5	Confident	5 Å²	5	81.2 Å²	81.2	2%	0.023	42%	0.417	C	S	.	.			trans	-57.3	135.1	-178.5	-167.3	-96.8	0	0	0	111.3	E84 L413 K466 W467 K473 K474	E84-H471 IonicContact OE1-CE1 3.29Å; E84-H471 IonicContact OE1-NE2 3.04Å; E84-H471 PolarHBondContact OE1-NE2 2.83Å; E84-H471 IonicContact OE2-CE1 3.08Å; E84-H471 IonicContact OE2-NE2 2.68Å; L413-H471 HydrophobicContact CD1-CB 3.98Å; K466-H471 PolarHBondContact O-N 3.46Å; W467-H471 AromaticContact CE3-CD2 3.8Å; W467-H471 AromaticContact CE3-NE2 3.95Å; W467-H471 AromaticContact CZ3-NE2 3.96Å; W467-H471 PolarHBondContact O-CD2 2.75Å; H471-K473 PolarHBondContact ND1-N 3.41Å; H471-K473 PolarHBondContact O-N 2.94Å; H471-K473 VanDerWaalsContact O-N 3.1Å; H471-K474 HydrophobicContact CB-CB 4.44Å; H471-K474 WeakPolarHBondContact O-CB 3.27Å; H471-K474 PolarHBondContact O-N 3.4Å
472	P	85	Confident	82.6	Confident	98 Å²	98	81.4 Å²	81.4	64%	0.636	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-27.8	-175.6	21.6	-34.7	0	0	0	113.9
473	K	85	Confident	80.6	Confident	117 Å²	117	81.8 Å²	81.8	51%	0.509	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	6.3	178.4	-56.8	175.7	-173.5	151.8	0	113.9	E84 T417 H471 K475	E84-K473 IonicContact OE2-NZ 2.98Å; E84-K473 PolarHBondContact OE2-NZ 3.48Å; T417-K473 HydrophobicContact CG2-CB 4Å; H471-K473 PolarHBondContact ND1-N 3.41Å; H471-K473 PolarHBondContact O-N 2.94Å; H471-K473 VanDerWaalsContact O-N 3.1Å; K473-K475 PolarHBondContact O-N 3.29Å
474	K	87.6	Confident	78.7	Confident	93 Å²	93	85.8 Å²	85.8	40%	0.404	45%	0.445	S	S	.	.			trans	-61.3	132.7	-177.3	178.6	177.1	177.8	-176.5	0	110.9	Q469 H471	Q469-K474 WeakPolarHBondContact O-CD 3.29Å; Q469-K474 WeakPolarHBondContact O-CE 3.4Å; Q469-K474 PolarHBondContact O-NZ 3.43Å; H471-K474 HydrophobicContact CB-CB 4.44Å; H471-K474 WeakPolarHBondContact O-CB 3.27Å; H471-K474 PolarHBondContact O-N 3.4Å
475	K	87.9	Confident	76.9	Confident	120 Å²	120	88.6 Å²	88.6	52%	0.522	46%	0.459	S	S	.	.			trans	-99.6	154.5	172.1	-67.3	-172.1	-170.9	158.3	0	110.6	L416 T417 K473 C477	L416-K475 PolarHBondContact O-N 3.48Å; T417-K475 WeakPolarHBondContact O-CD 3.38Å; T417-K475 WeakPolarHBondContact O-CE 3.36Å; T417-K475 WeakPolarHBondContact O-CG 3.44Å; T417-K475 PolarHBondContact O-NZ 3.16Å; K473-K475 PolarHBondContact O-N 3.29Å; K475-C477 PolarHBondContact O-N 2.7Å
476	N	85	Confident	75.4	Confident	168 Å²	168	87.1 Å²	87.1	90%	0.898	47%	0.468	S	S	*	.			trans	-79	86.2	172.4	-74.9	-12.9	0	0	0	109.8
477	C	83	Confident	74.1	Confident	38 Å²	38	87 Å²	87	26%	0.257	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-77.4	147.1	175.4	-56.5	0	0	0	0	111.2	C419 K475 A479	C419-C477 WeakPolarHBondContact CA-SG 3.48Å; C419-C477 HydrophobicContact CB-CB 3.65Å; C419-C477 WeakPolarHBondContact CB-SG 3.41Å; C419-C477 WeakPolarHBondContact SG-CA 3.49Å; C419-C477 WeakPolarHBondContact SG-CB 3.38Å; C419-C477 CovalentContact SG-SG 2.04Å; C419-C477 PolarHBondContact SG-SG 3.11Å; K475-C477 PolarHBondContact O-N 2.7Å; C477-A479 PolarHBondContact O-N 3.2Å
478	P	73.7	Confident	73	Confident	69 Å²	69	88.6 Å²	88.6	45%	0.448	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-60.4	131.4	172.3	20.5	-25.6	0	0	0	108.7	R180 K482	R180-P478 VanDerWaalsContact NH1-CD 3.31Å; R180-P478 VanDerWaalsContact NH1-CG 3.31Å; R180-P478 PolarHBondContact NH1-O 3.5Å; P478-K482 HydrophobicContact CB-CD 4.41Å
479	A	66.6	Low	72.3	Confident	55 Å²	55	93.1 Å²	93.1	46%	0.455	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-62	141.4	172.9	0	0	0	0	0	108.9	C477 D481 K482	C477-A479 PolarHBondContact O-N 3.2Å; A479-D481 PolarHBondContact O-N 2.98Å; A479-D481 VanDerWaalsContact O-N 3.14Å; A479-K482 HydrophobicContact CB-CG 4.45Å; A479-K482 WeakPolarHBondContact O-CB 3.44Å; A479-K482 PolarHBondContact O-N 3.27Å
480	D	62.3	Low	71.6	Confident	78 Å²	78	93 Å²	93	42%	0.417	51%	0.513	S	S	.	.	G	3₁₀ helix	trans	-58	-26.9	176.9	-69.9	-55.9	0	0	0	111.3	R180 K422 K482 E483	R180-D480 IonicContact NH2-OD1 2.71Å; R180-D480 PolarHBondContact NH2-OD1 2.85Å; K422-D480 VanDerWaalsContact CE-OD1 3.24Å; K422-D480 WeakPolarHBondContact CE-OD1 3.4Å; K422-D480 IonicContact NZ-OD1 2.92Å; K422-D480 PolarHBondContact NZ-OD1 3.34Å; D480-K482 PolarHBondContact O-N 2.93Å; D480-E483 PolarHBondContact O-N 2.96Å
481	D	55.4	Low	70.8	Confident	134 Å²	134	89.9 Å²	89.9	72%	0.717	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-70.4	-11.2	178	-55.7	-26.4	0	0	0	114.5	A479 E483 S484	A479-D481 PolarHBondContact O-N 2.98Å; A479-D481 VanDerWaalsContact O-N 3.14Å; D481-E483 PolarHBondContact O-N 3.41Å; D481-S484 WeakPolarHBondContact O-CB 3.38Å; D481-S484 PolarHBondContact O-N 2.9Å
482	K	51.2	Low	70.3	Confident	116 Å²	116	93.3 Å²	93.3	50%	0.504	52%	0.515	S	S	.	.	G	3₁₀ helix	trans	-69.1	-9.6	176.5	-72.2	-166.3	173.1	-170.6	0	113.4	P478 A479 D480 S484 E485	P478-K482 HydrophobicContact CB-CD 4.41Å; A479-K482 HydrophobicContact CB-CG 4.45Å; A479-K482 WeakPolarHBondContact O-CB 3.44Å; A479-K482 PolarHBondContact O-N 3.27Å; D480-K482 PolarHBondContact O-N 2.93Å; K482-S484 PolarHBondContact O-N 3.09Å; K482-E485 PolarHBondContact O-N 3.29Å
483	E	53.5	Low	70.2	Confident	117 Å²	117	89.1 Å²	89.1	55%	0.547	49%	0.489	S	S	.	.	G	3₁₀ helix	trans	-64.3	-15.7	165.9	-66.9	-179.3	-171.1	0	0	112.3	D480 D481	D480-E483 PolarHBondContact O-N 2.96Å; D481-E483 PolarHBondContact O-N 3.41Å
484	S	53.5	Low	70.3	Confident	102 Å²	102	83.5 Å²	83.5	71%	0.713	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-86.6	-10.6	176	-164.4	0	0	0	0	114	D481 K482	D481-S484 WeakPolarHBondContact O-CB 3.38Å; D481-S484 PolarHBondContact O-N 2.9Å; K482-S484 PolarHBondContact O-N 3.09Å
485	E	54.8	Low	70.3	Confident	130 Å²	130	81.7 Å²	81.7	61%	0.607	46%	0.462	S	S	*	.	S	Bend	trans	-70.9	147.7	176.3	-67.8	-176.3	-177.5	0	0	110.4	K482	K482-E485 PolarHBondContact O-N 3.29Å
486	G	61.5	Low	70.4	Confident	61 Å²	61	81.6 Å²	81.6	63%	0.629	46%	0.462	S	S	*	.			trans	-56.9	178.3	-170.7	0	0	0	0	0	115.4	S488	G486-S488 PolarHBondContact O-N 2.86Å
487	I	66.2	Low	70.6	Confident	93 Å²	93	76.7 Å²	76.7	48%	0.477	44%	0.435	S	S	.	.			trans	-53.6	117.2	-179.5	-57	173.1	0	0	0	109.6	L293 N491 L492	L293-I487 HydrophobicContact CD1-CD1 3.72Å; L293-I487 HydrophobicContact CD2-CD1 4.23Å; L293-I487 HydrophobicContact CD2-CG1 4.27Å; I487-N491 HydrophobicContact CG2-CB 4.23Å; I487-L492 HydrophobicContact CG2-CD1 4.33Å
488	S	67.4	Low	71	Confident	40 Å²	40	78.8 Å²	78.8	28%	0.28	45%	0.446	S	S	.	.			trans	-61.3	141.8	178.6	75.4	0	0	0	0	110.3	G486 M490 N491 L492	G486-S488 PolarHBondContact O-N 2.86Å; S488-M490 PolarHBondContact O-N 3.18Å; S488-M490 VanDerWaalsContact O-N 3.11Å; S488-N491 PolarHBondContact O-N 3.19Å; S488-N491 PolarHBondContact OG-N 3.21Å; S488-N491 PolarHBondContact OG-ND2 3.42Å; S488-L492 PolarHBondContact O-N 2.79Å
489	V	75.7	Confident	71.9	Confident	113 Å²	113	79.9 Å²	79.9	69%	0.685	45%	0.447	S	S	*	.	H	α-helix	trans	-57.8	-27.8	176.7	178.7	0	0	0	0	111	L492 G493	V489-L492 CarbonylContact O-C 3.59Å; V489-L492 PolarHBondContact O-N 2.98Å; V489-G493 WeakPolarHBondContact O-CA 3.4Å; V489-G493 PolarHBondContact O-N 2.99Å
490	M	72.2	Confident	73.2	Confident	107 Å²	107	82.9 Å²	82.9	53%	0.527	46%	0.455	S	S	.	.	H	α-helix	trans	-63.9	-41.9	176.2	-58.5	-171.3	-165.3	0	0	111.9	D185 F187 S488 L492 G493	D185-M490 HydrophobicContact CB-CB 4.34Å; D185-M490 HydrophobicContact CB-SD 4.48Å; F187-M490 WeakPolarHBondContact CD1-O 3.42Å; S488-M490 PolarHBondContact O-N 3.18Å; S488-M490 VanDerWaalsContact O-N 3.11Å; M490-L492 VanDerWaalsContact C-N 3.27Å; M490-L492 PolarHBondContact O-N 3.26Å; M490-G493 PolarHBondContact O-N 3.44Å; M490-G493 VanDerWaalsContact O-N 3.16Å
491	N	72	Confident	74.8	Confident	34 Å²	34	83.2 Å²	83.2	18%	0.182	46%	0.456	C	S	.	.	H	α-helix	trans	-67.5	-26.9	176.6	-75.9	-48.7	0	0	0	113	I487 S488	I487-N491 HydrophobicContact CG2-CB 4.23Å; S488-N491 PolarHBondContact O-N 3.19Å; S488-N491 PolarHBondContact OG-N 3.21Å; S488-N491 PolarHBondContact OG-ND2 3.42Å
492	L	77.7	Confident	76.6	Confident	76 Å²	76	78.4 Å²	78.4	40%	0.398	44%	0.438	S	S	.	.	H	α-helix	trans	-94.9	-4.3	174.7	-142.2	107.8	0	0	0	113.4	I487 S488 V489 M490 G494 V495 F496	I487-L492 HydrophobicContact CG2-CD1 4.33Å; S488-L492 PolarHBondContact O-N 2.79Å; V489-L492 CarbonylContact O-C 3.59Å; V489-L492 PolarHBondContact O-N 2.98Å; M490-L492 VanDerWaalsContact C-N 3.27Å; M490-L492 PolarHBondContact O-N 3.26Å; L492-G494 VanDerWaalsContact C-N 3.3Å; L492-G494 PolarHBondContact O-N 3.4Å; L492-V495 HydrophobicContact CG-CG2 4.39Å; L492-V495 WeakPolarHBondContact O-CB 3.35Å; L492-V495 PolarHBondContact O-N 3.49Å; L492-V495 VanDerWaalsContact O-N 3.12Å; L492-F496 HydrophobicContact CD2-CE2 3.86Å; L492-F496 HydrophobicContact CD2-CZ 4.31Å
493	G	82.9	Confident	78.7	Confident	10 Å²	10	77.2 Å²	77.2	10%	0.103	44%	0.436	C	S	.	.	H	α-helix	trans	-64.2	-32.8	-168.4	0	0	0	0	0	113.3	V489 M490 V495 F496 I497	V489-G493 WeakPolarHBondContact O-CA 3.4Å; V489-G493 PolarHBondContact O-N 2.99Å; M490-G493 PolarHBondContact O-N 3.44Å; M490-G493 VanDerWaalsContact O-N 3.16Å; G493-V495 PolarHBondContact O-N 3.29Å; G493-F496 PolarHBondContact O-N 2.9Å; G493-F496 VanDerWaalsContact O-N 3.17Å; G493-I497 WeakPolarHBondContact O-CG1 3.09Å; G493-I497 PolarHBondContact O-N 3.26Å
494	G	85.4	Confident	80.7	Confident	0 Å²	0	77.5 Å²	77.5	0%	0	44%	0.436	C	S	.	.	H	α-helix	trans	-63.3	-27.8	177.3	0	0	0	0	0	113.7	F187 L492 I497 V498	F187-G494 WeakPolarHBondContact O-CA 3.13Å; F187-G494 PolarHBondContact O-N 3.34Å; L492-G494 VanDerWaalsContact C-N 3.3Å; L492-G494 PolarHBondContact O-N 3.4Å; G494-I497 PolarHBondContact O-N 2.84Å; G494-V498 WeakPolarHBondContact O-CG2 3.42Å; G494-V498 PolarHBondContact O-N 3.48Å
495	V	88.1	Confident	82.7	Confident	55 Å²	55	78.9 Å²	78.9	33%	0.333	43%	0.429	S	S	.	.	H	α-helix	trans	-64.6	-43	175.4	-177.5	0	0	0	0	110.5	F190 L492 G493 I497 V498 I499	F190-V495 HydrophobicContact CD1-CG2 3.96Å; F190-V495 HydrophobicContact CE1-CG2 3.91Å; F190-V495 HydrophobicContact CG-CG2 4.35Å; F190-V495 HydrophobicContact CZ-CG2 4.24Å; L492-V495 HydrophobicContact CG-CG2 4.39Å; L492-V495 WeakPolarHBondContact O-CB 3.35Å; L492-V495 PolarHBondContact O-N 3.49Å; L492-V495 VanDerWaalsContact O-N 3.12Å; G493-V495 PolarHBondContact O-N 3.29Å; V495-I497 VanDerWaalsContact C-N 3.35Å; V495-I497 PolarHBondContact O-N 3.32Å; V495-V498 PolarHBondContact O-N 2.91Å; V495-I499 HydrophobicContact CG1-CD1 4.47Å; V495-I499 WeakPolarHBondContact O-CG1 3.46Å; V495-I499 PolarHBondContact O-N 3.41Å
496	F	89.5	Confident	84.6	Confident	118 Å²	118	77 Å²	77	52%	0.518	43%	0.429	S	S	.	.	H	α-helix	trans	-65.3	-38.3	176.2	-64.7	-75.5	0	0	0	112.1	L492 G493 I499 L500	L492-F496 HydrophobicContact CD2-CE2 3.86Å; L492-F496 HydrophobicContact CD2-CZ 4.31Å; G493-F496 PolarHBondContact O-N 2.9Å; G493-F496 VanDerWaalsContact O-N 3.17Å; F496-I499 PolarHBondContact O-N 3.39Å; F496-L500 WeakPolarHBondContact O-CG 3.49Å; F496-L500 PolarHBondContact O-N 3.01Å; F496-L500 VanDerWaalsContact O-N 3.12Å
497	I	90.2	Very high	86.2	Confident	65 Å²	65	78.6 Å²	78.6	33%	0.333	42%	0.423	S	S	.	.	H	α-helix	trans	-62.3	-43.9	176.6	-65.3	170.8	0	0	0	110.9	F187 G493 G494 V495 I499 L500 I501	F187-I497 HydrophobicContact CD1-CD1 4.48Å; G493-I497 WeakPolarHBondContact O-CG1 3.09Å; G493-I497 PolarHBondContact O-N 3.26Å; G494-I497 PolarHBondContact O-N 2.84Å; V495-I497 VanDerWaalsContact C-N 3.35Å; V495-I497 PolarHBondContact O-N 3.32Å; I497-I499 VanDerWaalsContact C-N 3.31Å; I497-I499 PolarHBondContact O-N 2.91Å; I497-L500 PolarHBondContact O-N 3.31Å; I497-I501 HydrophobicContact CG2-CD1 3.81Å; I497-I501 HydrophobicContact CG2-CG1 4.43Å; I497-I501 WeakPolarHBondContact O-CG1 3.35Å; I497-I501 PolarHBondContact O-N 2.94Å
498	V	90.6	Very high	87.6	Confident	81 Å²	81	77.1 Å²	77.1	49%	0.491	42%	0.415	S	S	.	.	H	α-helix	trans	-61.8	-39.6	178.3	172.1	0	0	0	0	111.6	F188 G494 V495 I501 G502	F188-V498 HydrophobicContact CE1-CG2 4.49Å; G494-V498 WeakPolarHBondContact O-CG2 3.42Å; G494-V498 PolarHBondContact O-N 3.48Å; V495-V498 PolarHBondContact O-N 2.91Å; V498-I501 PolarHBondContact O-N 2.89Å; V498-G502 PolarHBondContact O-N 3.39Å
499	I	92.5	Very high	88.9	Confident	93 Å²	93	77.9 Å²	77.9	48%	0.477	42%	0.421	S	S	.	.	H	α-helix	trans	-62.2	-45.7	176.1	-66.3	167	0	0	0	110.9	V495 F496 I497 I501 G502 I503	V495-I499 HydrophobicContact CG1-CD1 4.47Å; V495-I499 WeakPolarHBondContact O-CG1 3.46Å; V495-I499 PolarHBondContact O-N 3.41Å; F496-I499 PolarHBondContact O-N 3.39Å; I497-I499 VanDerWaalsContact C-N 3.31Å; I497-I499 PolarHBondContact O-N 2.91Å; I499-I501 VanDerWaalsContact C-N 3.35Å; I499-I501 PolarHBondContact O-N 3.26Å; I499-G502 PolarHBondContact O-N 2.69Å; I499-G502 VanDerWaalsContact O-N 3.17Å; I499-I503 HydrophobicContact CG2-CD1 4.03Å; I499-I503 WeakPolarHBondContact O-CG1 3.42Å; I499-I503 PolarHBondContact O-N 3.48Å
500	L	94.4	Very high	89.8	Confident	117 Å²	117	77.6 Å²	77.6	61%	0.613	42%	0.415	S	S	*	.	H	α-helix	trans	-62.3	-41.9	178.5	-69.8	175.6	0	0	0	112.1	F496 I497 G502 I503 F504	F496-L500 WeakPolarHBondContact O-CG 3.49Å; F496-L500 PolarHBondContact O-N 3.01Å; F496-L500 VanDerWaalsContact O-N 3.12Å; I497-L500 PolarHBondContact O-N 3.31Å; L500-G502 VanDerWaalsContact C-N 3.32Å; L500-G502 PolarHBondContact O-N 2.96Å; L500-I503 PolarHBondContact O-N 3.08Å; L500-F504 WeakPolarHBondContact O-CB 3Å; L500-F504 PolarHBondContact O-N 2.99Å
501	I	95.1	Very high	90.8	Very high	85 Å²	85	77 Å²	77	44%	0.436	41%	0.412	S	S	.	.	H	α-helix	trans	-61.6	-42	174.4	-68.2	168.8	0	0	0	110.6	I497 V498 I499 F504 F505	I497-I501 HydrophobicContact CG2-CD1 3.81Å; I497-I501 HydrophobicContact CG2-CG1 4.43Å; I497-I501 WeakPolarHBondContact O-CG1 3.35Å; I497-I501 PolarHBondContact O-N 2.94Å; V498-I501 PolarHBondContact O-N 2.89Å; I499-I501 VanDerWaalsContact C-N 3.35Å; I499-I501 PolarHBondContact O-N 3.26Å; I501-F504 WeakPolarHBondContact O-CB 3.32Å; I501-F504 PolarHBondContact O-N 2.91Å; I501-F505 HydrophobicContact CG2-CD2 3.67Å; I501-F505 HydrophobicContact CG2-CE2 3.46Å; I501-F505 VanDerWaalsContact CG2-CE2 3.46Å; I501-F505 VanDerWaalsContact O-CD2 3.25Å; I501-F505 WeakPolarHBondContact O-CD2 3.45Å; I501-F505 PolarHBondContact O-N 3.45Å
502	G	94.5	Very high	91.8	Very high	33 Å²	33	80.4 Å²	80.4	34%	0.34	43%	0.43	S	S	.	.	H	α-helix	trans	-59.5	-47.1	175.4	0	0	0	0	0	112.8	V498 I499 L500 F504 F505 C506	V498-G502 PolarHBondContact O-N 3.39Å; I499-G502 PolarHBondContact O-N 2.69Å; I499-G502 VanDerWaalsContact O-N 3.17Å; L500-G502 VanDerWaalsContact C-N 3.32Å; L500-G502 PolarHBondContact O-N 2.96Å; G502-F504 VanDerWaalsContact C-N 3.31Å; G502-F504 PolarHBondContact O-N 3.42Å; G502-F505 PolarHBondContact O-N 3.29Å; G502-C506 PolarHBondContact O-N 3.48Å; G502-C506 PolarHBondContact O-SG 3.5Å
503	I	96	Very high	92.6	Very high	91 Å²	91	82.4 Å²	82.4	47%	0.467	44%	0.437	S	S	.	.	H	α-helix	trans	-60.7	-42.1	176.5	-66.4	167.5	0	0	0	110.8	I499 L500 C506 L507	I499-I503 HydrophobicContact CG2-CD1 4.03Å; I499-I503 WeakPolarHBondContact O-CG1 3.42Å; I499-I503 PolarHBondContact O-N 3.48Å; L500-I503 PolarHBondContact O-N 3.08Å; I503-C506 WeakPolarHBondContact O-CB 3.2Å; I503-C506 PolarHBondContact O-N 2.52Å; I503-L507 HydrophobicContact CG2-CD1 4.27Å; I503-L507 WeakPolarHBondContact O-CG 3.06Å; I503-L507 PolarHBondContact O-N 3.18Å
504	F	95.1	Very high	93	Very high	123 Å²	123	88.8 Å²	88.8	54%	0.539	46%	0.459	S	S	.	.	H	α-helix	trans	-60.6	-46.1	177.5	178.7	-103.5	0	0	0	112.3	L500 I501 G502 C506 L507 I508	L500-F504 WeakPolarHBondContact O-CB 3Å; L500-F504 PolarHBondContact O-N 2.99Å; I501-F504 WeakPolarHBondContact O-CB 3.32Å; I501-F504 PolarHBondContact O-N 2.91Å; G502-F504 VanDerWaalsContact C-N 3.31Å; G502-F504 PolarHBondContact O-N 3.42Å; F504-C506 PolarHBondContact O-N 3.35Å; F504-L507 PolarHBondContact O-N 3.26Å; F504-I508 HydrophobicContact CD1-CD1 3.76Å; F504-I508 HydrophobicContact CE1-CD1 3.23Å; F504-I508 HydrophobicContact CE1-CG1 4.38Å; F504-I508 HydrophobicContact CE2-CD1 4.15Å; F504-I508 HydrophobicContact CG-CD1 4.43Å; F504-I508 HydrophobicContact CZ-CD1 3.47Å; F504-I508 VanDerWaalsContact CZ-CD1 3.47Å; F504-I508 HydrophobicContact CZ-CG1 4.37Å; F504-I508 WeakPolarHBondContact O-CG1 3.49Å; F504-I508 PolarHBondContact O-N 3.07Å
505	F	94.5	Very high	93.3	Very high	132 Å²	132	94.5 Å²	94.5	58%	0.579	48%	0.484	S	S	*	.	H	α-helix	trans	-65.3	-36.6	175.4	-78.3	-62.5	0	0	0	112.8	I501 G502 L507 I508 S509	I501-F505 HydrophobicContact CG2-CD2 3.67Å; I501-F505 HydrophobicContact CG2-CE2 3.46Å; I501-F505 VanDerWaalsContact CG2-CE2 3.46Å; I501-F505 VanDerWaalsContact O-CD2 3.25Å; I501-F505 WeakPolarHBondContact O-CD2 3.45Å; I501-F505 PolarHBondContact O-N 3.45Å; G502-F505 PolarHBondContact O-N 3.29Å; F505-L507 PolarHBondContact O-N 3.48Å; F505-I508 PolarHBondContact O-N 3.14Å; F505-S509 WeakPolarHBondContact O-CB 3.32Å; F505-S509 PolarHBondContact O-N 3.24Å
506	C	94.9	Very high	93.4	Very high	89 Å²	89	99.8 Å²	99.8	60%	0.601	50%	0.499	S	S	*	.	H	α-helix	trans	-60.2	-44.2	173.1	-71.4	0	0	0	0	111.9	G502 I503 F504 S509 L510	G502-C506 PolarHBondContact O-N 3.48Å; G502-C506 PolarHBondContact O-SG 3.5Å; I503-C506 WeakPolarHBondContact O-CB 3.2Å; I503-C506 PolarHBondContact O-N 2.52Å; F504-C506 PolarHBondContact O-N 3.35Å; C506-S509 PolarHBondContact O-N 2.89Å; C506-L510 PolarHBondContact O-N 3.06Å
507	L	95.9	Very high	93.4	Very high	96 Å²	96	100.5 Å²	100.5	50%	0.503	50%	0.502	S	S	.	.	H	α-helix	trans	-64.3	-42.3	177.1	-70.4	173.3	0	0	0	112	I503 F504 F505 L510 I511	I503-L507 HydrophobicContact CG2-CD1 4.27Å; I503-L507 WeakPolarHBondContact O-CG 3.06Å; I503-L507 PolarHBondContact O-N 3.18Å; F504-L507 PolarHBondContact O-N 3.26Å; F505-L507 PolarHBondContact O-N 3.48Å; L507-L510 PolarHBondContact O-N 3.24Å; L507-I511 VanDerWaalsContact O-CG1 3.25Å; L507-I511 WeakPolarHBondContact O-CG1 3.5Å; L507-I511 PolarHBondContact O-N 2.95Å
508	I	95.1	Very high	93.2	Very high	61 Å²	61	102.2 Å²	102.2	31%	0.313	51%	0.507	S	S	.	.	H	α-helix	trans	-62.1	-45.5	175.4	-71	173.4	0	0	0	111	F504 F505 L510 I511 I512	F504-I508 HydrophobicContact CD1-CD1 3.76Å; F504-I508 HydrophobicContact CE1-CD1 3.23Å; F504-I508 HydrophobicContact CE1-CG1 4.38Å; F504-I508 HydrophobicContact CE2-CD1 4.15Å; F504-I508 HydrophobicContact CG-CD1 4.43Å; F504-I508 HydrophobicContact CZ-CD1 3.47Å; F504-I508 VanDerWaalsContact CZ-CD1 3.47Å; F504-I508 HydrophobicContact CZ-CG1 4.37Å; F504-I508 WeakPolarHBondContact O-CG1 3.49Å; F504-I508 PolarHBondContact O-N 3.07Å; F505-I508 PolarHBondContact O-N 3.14Å; I508-L510 VanDerWaalsContact C-N 3.31Å; I508-L510 PolarHBondContact O-N 3.08Å; I508-I511 PolarHBondContact O-N 3.21Å; I508-I512 HydrophobicContact CG2-CD1 3.67Å; I508-I512 HydrophobicContact CG2-CG1 4.31Å; I508-I512 VanDerWaalsContact O-CG1 3.32Å; I508-I512 WeakPolarHBondContact O-CG1 3.29Å; I508-I512 PolarHBondContact O-N 3.22Å
509	S	93.9	Very high	92.9	Very high	57 Å²	57	107.1 Å²	107.1	40%	0.399	52%	0.517	S	S	.	.	H	α-helix	trans	-58.8	-44.4	178.1	-166.1	0	0	0	0	111.3	F505 C506 I511 I512 E513	F505-S509 WeakPolarHBondContact O-CB 3.32Å; F505-S509 PolarHBondContact O-N 3.24Å; C506-S509 PolarHBondContact O-N 2.89Å; S509-I511 PolarHBondContact O-N 3.46Å; S509-I512 PolarHBondContact O-N 3.46Å; S509-E513 WeakPolarHBondContact O-CG 3.23Å; S509-E513 PolarHBondContact O-N 3.3Å
510	L	94.6	Very high	92.3	Very high	107 Å²	107	109.3 Å²	109.3	56%	0.56	52%	0.523	S	S	*	.	H	α-helix	trans	-61.2	-42.3	176.8	-176.9	67.3	0	0	0	112.1	C506 L507 I508 E513 Y514	C506-L510 PolarHBondContact O-N 3.06Å; L507-L510 PolarHBondContact O-N 3.24Å; I508-L510 VanDerWaalsContact C-N 3.31Å; I508-L510 PolarHBondContact O-N 3.08Å; L510-E513 PolarHBondContact O-N 3.42Å; L510-Y514 WeakPolarHBondContact O-CB 3.17Å; L510-Y514 PolarHBondContact O-N 2.92Å
511	I	94.4	Very high	91	Very high	93 Å²	93	109.1 Å²	109.1	48%	0.477	52%	0.519	S	S	.	.	H	α-helix	trans	-62.6	-45.1	176.6	-69.6	166.6	0	0	0	110.4	L507 I508 S509 Y514 F515	L507-I511 VanDerWaalsContact O-CG1 3.25Å; L507-I511 WeakPolarHBondContact O-CG1 3.5Å; L507-I511 PolarHBondContact O-N 2.95Å; I508-I511 PolarHBondContact O-N 3.21Å; S509-I511 PolarHBondContact O-N 3.46Å; I511-Y514 PolarHBondContact O-N 3.02Å; I511-F515 HydrophobicContact CG2-CD2 3.61Å; I511-F515 HydrophobicContact CG2-CE2 3.57Å; I511-F515 WeakPolarHBondContact O-CD2 3.48Å; I511-F515 PolarHBondContact O-N 3.01Å
512	I	93.4	Very high	89.3	Confident	106 Å²	106	111.3 Å²	111.3	54%	0.544	53%	0.527	S	S	.	.	H	α-helix	trans	-62.7	-45.8	178.3	-67.7	168.5	0	0	0	110.8	I508 S509 Y514 F515 Y516	I508-I512 HydrophobicContact CG2-CD1 3.67Å; I508-I512 HydrophobicContact CG2-CG1 4.31Å; I508-I512 VanDerWaalsContact O-CG1 3.32Å; I508-I512 WeakPolarHBondContact O-CG1 3.29Å; I508-I512 PolarHBondContact O-N 3.22Å; S509-I512 PolarHBondContact O-N 3.46Å; I512-Y514 VanDerWaalsContact C-N 3.35Å; I512-Y514 PolarHBondContact O-N 2.71Å; I512-F515 PolarHBondContact O-N 3.33Å; I512-Y516 VanDerWaalsContact O-CB 3.3Å; I512-Y516 WeakPolarHBondContact O-CB 3.42Å; I512-Y516 PolarHBondContact O-N 2.75Å
513	E	93.6	Very high	87.4	Confident	118 Å²	118	118.7 Å²	118.7	55%	0.551	55%	0.55	S	S	*	.	H	α-helix	trans	-60.2	-44.4	176.9	-76	178.1	-172.6	0	0	111.6	S509 L510 Y516 F517	S509-E513 WeakPolarHBondContact O-CG 3.23Å; S509-E513 PolarHBondContact O-N 3.3Å; L510-E513 PolarHBondContact O-N 3.42Å; E513-Y516 PolarHBondContact O-N 3.39Å; E513-F517 WeakPolarHBondContact O-CB 3.38Å; E513-F517 PolarHBondContact O-N 3.04Å
514	Y	92	Very high	85.5	Confident	145 Å²	145	118.7 Å²	118.7	57%	0.569	56%	0.557	S	S	*	*	H	α-helix	trans	-60.7	-47.1	176.6	179.9	-97.3	0	0	0	112.1	L510 I511 I512 F517 K518	L510-Y514 WeakPolarHBondContact O-CB 3.17Å; L510-Y514 PolarHBondContact O-N 2.92Å; I511-Y514 PolarHBondContact O-N 3.02Å; I512-Y514 VanDerWaalsContact C-N 3.35Å; I512-Y514 PolarHBondContact O-N 2.71Å; Y514-F517 PolarHBondContact O-N 3.48Å; Y514-K518 HydrophobicContact CE1-CD 4.29Å; Y514-K518 WeakPolarHBondContact O-CB 3.44Å; Y514-K518 PolarHBondContact O-N 3.24Å
515	F	91.2	Very high	83.3	Confident	120 Å²	120	120 Å²	120	53%	0.526	57%	0.569	S	S	.	*	H	α-helix	trans	-65.5	-39.2	177.2	-84.7	-66.8	0	0	0	112.6	I511 I512 R519	I511-F515 HydrophobicContact CG2-CD2 3.61Å; I511-F515 HydrophobicContact CG2-CE2 3.57Å; I511-F515 WeakPolarHBondContact O-CD2 3.48Å; I511-F515 PolarHBondContact O-N 3.01Å; I512-F515 PolarHBondContact O-N 3.33Å; F515-R519 WeakPolarHBondContact O-CB 3.5Å; F515-R519 WeakPolarHBondContact O-CG 3.43Å; F515-R519 PolarHBondContact O-N 3.31Å
516	Y	90.4	Very high	81.1	Confident	166 Å²	166	118.8 Å²	118.8	65%	0.651	57%	0.574	S	S	*	*	H	α-helix	trans	-64.9	-45.1	177.2	-173.2	-99.4	0	0	0	111.5	I512 E513 R519 K520	I512-Y516 VanDerWaalsContact O-CB 3.3Å; I512-Y516 WeakPolarHBondContact O-CB 3.42Å; I512-Y516 PolarHBondContact O-N 2.75Å; E513-Y516 PolarHBondContact O-N 3.39Å; Y516-R519 PolarHBondContact O-N 2.92Å; Y516-K520 PolarHBondContact O-N 3.37Å
517	F	88.5	Confident	78.9	Confident	132 Å²	132	122.8 Å²	122.8	58%	0.579	59%	0.588	S	S	*	*	H	α-helix	trans	-63.5	-45.4	177.5	-170.4	-96.5	0	0	0	111.9	E513 Y514 R519 K520 H521	E513-F517 WeakPolarHBondContact O-CB 3.38Å; E513-F517 PolarHBondContact O-N 3.04Å; Y514-F517 PolarHBondContact O-N 3.48Å; F517-R519 PolarHBondContact O-N 3.25Å; F517-K520 PolarHBondContact O-N 3.33Å; F517-H521 AromaticContact CE1-CD2 3.4Å; F517-H521 VanDerWaalsContact CE1-CD2 3.4Å; F517-H521 WeakPolarHBondContact CE1-CD2 3.4Å; F517-H521 AromaticContact CE1-NE2 3.96Å; F517-H521 AromaticContact CE2-CD2 4Å; F517-H521 AromaticContact CZ-CD2 3.34Å; F517-H521 WeakPolarHBondContact CZ-CD2 3.32Å; F517-H521 AromaticContact CZ-NE2 3.56Å; F517-H521 PolarHBondContact O-N 3.44Å
518	K	87.5	Confident	76.8	Confident	101 Å²	101	123 Å²	123	44%	0.439	60%	0.597	S	S	.	*	H	α-helix	trans	-61.7	-41.5	177.5	-170.3	174	-178.3	175.5	0	112.4	Y514 H521 Q522	Y514-K518 HydrophobicContact CE1-CD 4.29Å; Y514-K518 WeakPolarHBondContact O-CB 3.44Å; Y514-K518 PolarHBondContact O-N 3.24Å; K518-H521 PolarHBondContact O-N 3.2Å; K518-Q522 WeakPolarHBondContact O-CG 3.14Å; K518-Q522 PolarHBondContact O-N 3.25Å
519	R	84.3	Confident	74.4	Confident	185 Å²	185	124.5 Å²	124.5	70%	0.698	61%	0.613	S	S	*	*	H	α-helix	trans	-66	-35.6	175.1	-81	-175.9	175.3	177.8	0.8	112.7	F515 Y516 F517	F515-R519 WeakPolarHBondContact O-CB 3.5Å; F515-R519 WeakPolarHBondContact O-CG 3.43Å; F515-R519 PolarHBondContact O-N 3.31Å; Y516-R519 PolarHBondContact O-N 2.92Å; F517-R519 PolarHBondContact O-N 3.25Å
520	K	80	Confident	72.2	Confident	138 Å²	138	129.8 Å²	129.8	60%	0.6	64%	0.637	S	S	*	*	H	α-helix	trans	-70.5	-42	176.7	-164.9	177.8	179.3	-175.4	0	111.4	Y516 F517 K523	Y516-K520 PolarHBondContact O-N 3.37Å; F517-K520 PolarHBondContact O-N 3.33Å; K520-K523 PolarHBondContact O-N 3.31Å
521	H	65.5	Low	70.2	Confident	113 Å²	113	133.1 Å²	133.1	52%	0.523	65%	0.654	S	S	.	*	H	α-helix	trans	-69.3	-32.7	178.1	-109.1	-78.7	0	0	0	113.8	F517 K518 K523 C524	F517-H521 AromaticContact CE1-CD2 3.4Å; F517-H521 VanDerWaalsContact CE1-CD2 3.4Å; F517-H521 WeakPolarHBondContact CE1-CD2 3.4Å; F517-H521 AromaticContact CE1-NE2 3.96Å; F517-H521 AromaticContact CE2-CD2 4Å; F517-H521 AromaticContact CZ-CD2 3.34Å; F517-H521 WeakPolarHBondContact CZ-CD2 3.32Å; F517-H521 AromaticContact CZ-NE2 3.56Å; F517-H521 PolarHBondContact O-N 3.44Å; K518-H521 PolarHBondContact O-N 3.2Å; H521-K523 PolarHBondContact O-N 3.31Å; H521-C524 PolarHBondContact O-N 3.15Å
522	Q	59.1	Low	68.1	Low	132 Å²	132	133.3 Å²	133.3	62%	0.617	67%	0.67	S	S	*	*	H	α-helix	trans	-63.8	-24.5	173.3	-80.3	-179.4	-22	0	0	113.2	K518 C524	K518-Q522 WeakPolarHBondContact O-CG 3.14Å; K518-Q522 PolarHBondContact O-N 3.25Å; Q522-C524 VanDerWaalsContact C-N 3.27Å; Q522-C524 PolarHBondContact O-N 3.31Å
523	K	56.2	Low	65.9	Low	187 Å²	187	136 Å²	136	81%	0.813	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	-4.3	173.7	-68.3	-176.8	177.6	-175.8	0	113.5	K520 H521	K520-K523 PolarHBondContact O-N 3.31Å; H521-K523 PolarHBondContact O-N 3.31Å
524	C	55.7	Low	63.7	Low	91 Å²	91	141.3 Å²	141.3	62%	0.615	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.6	35.3	-174.9	-67.4	0	0	0	0	113.9	H521 Q522	H521-C524 PolarHBondContact O-N 3.15Å; Q522-C524 VanDerWaalsContact C-N 3.27Å; Q522-C524 PolarHBondContact O-N 3.31Å
525	L	49.5	Very low	61.5	Low	151 Å²	151	140.7 Å²	140.7	79%	0.791	71%	0.712	S	S	*	*			trans	-83.5	121.2	162.5	-89.2	156.5	0	0	0	109.1
526	P	48	Very low	59.2	Low	106 Å²	106	142.4 Å²	142.4	69%	0.688	73%	0.726	S	S	*	*			trans	-85	143.2	-158.8	32.6	-34.7	0	0	0	113.5	S528	P526-S528 VanDerWaalsContact C-N 3.29Å; P526-S528 PolarHBondContact O-N 3.06Å
527	I	48.7	Very low	57	Low	174 Å²	174	142.2 Å²	142.2	89%	0.892	74%	0.737	S	S	*	*			trans	-67.4	91.6	160.7	-63.3	166.9	0	0	0	107.1
528	S	50.7	Low	54.6	Low	100 Å²	100	139.5 Å²	139.5	70%	0.699	75%	0.746	S	S	*	*			trans	-81.1	158.5	158.7	178.8	0	0	0	0	109.5	P526	P526-S528 VanDerWaalsContact C-N 3.29Å; P526-S528 PolarHBondContact O-N 3.06Å
529	S	45.1	Very low	52.2	Low	93 Å²	93	139.9 Å²	139.9	65%	0.65	76%	0.762	S	S	*	*	S	Bend	trans	70.7	91.1	-178.2	76.7	0	0	0	0	115.8
530	N	47.8	Very low	50.1	Low	167 Å²	167	139.3 Å²	139.3	89%	0.893	77%	0.771	S	S	*	*	S	Bend	trans	-172.3	8.3	137.4	-92.2	-25.9	0	0	0	116.1
531	L	51.9	Low	48	Very low	177 Å²	177	136.5 Å²	136.5	93%	0.927	78%	0.782	S	S	*	*			trans	-104.3	10.4	-179.7	-100	139.4	0	0	0	116	N533	L531-N533 VanDerWaalsContact C-N 3.33Å; L531-N533 PolarHBondContact O-N 3.21Å
532	A	50.9	Low	46.9	Very low	97 Å²	97	136.5 Å²	136.5	80%	0.802	80%	0.802	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	18.9	-172.6	0	0	0	0	0	116.4
533	N	47	Very low	46	Very low	162 Å²	162	133.6 Å²	133.6	87%	0.866	81%	0.807	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.8	21	-172.1	-110.5	-1.1	0	0	0	118	L531	L531-N533 VanDerWaalsContact C-N 3.33Å; L531-N533 PolarHBondContact O-N 3.21Å
534	R	47.5	Very low	45.3	Very low	230 Å²	230	131.3 Å²	131.3	87%	0.868	81%	0.808	S	S	*	*	S	Bend	trans	-129.3	112.8	168	-81.3	-175.1	175.9	170	-1.5	112.8
535	T	45.3	Very low	44.6	Very low	133 Å²	133	134.3 Å²	134.3	82%	0.816	82%	0.817	S	S	*	*			trans	77.7	88.9	145.3	56.2	0	0	0	0	117.5	N537	T535-N537 PolarHBondContact O-N 3.43Å
536	N	42.6	Very low	44	Very low	155 Å²	155	134.5 Å²	134.5	83%	0.829	81%	0.814	S	S	*	*			trans	-36.7	121.6	139.8	-75.7	-28	0	0	0	112
537	N	44.3	Very low	43.3	Very low	162 Å²	162	138.2 Å²	138.2	87%	0.866	82%	0.821	S	S	*	*				167.7	125.2	129.4	-88.1	-12.6	0	0	0	110.6	T535	T535-N537 PolarHBondContact O-N 3.43Å
538	G	38.3	Very low	42.8	Very low	76 Å²	76	139.7 Å²	139.7	78%	0.784	82%	0.816	S	S	*	*			trans	94.3	89.4	167.5	0	0	0	0	0	113.8
539	S	38.6	Very low	42.3	Very low	108 Å²	108	148.2 Å²	148.2	76%	0.755	84%	0.841	S	S	*	*				83.8	101.3	83.8	170.6	0	0	0	0	114
540	L	38.5	Very low	42.2	Very low	173 Å²	173	151 Å²	151	91%	0.906	85%	0.85	S	S	*	*			trans	65.4	123.4	145.5	-86.6	83.7	0	0	0	120.5
541	G	37.6	Very low	41.9	Very low	79 Å²	79	150.2 Å²	150.2	81%	0.814	85%	0.848	S	S	*	*			trans	156	73.5	153.7	0	0	0	0	0	114
542	A	41	Very low	41.3	Very low	114 Å²	114	148.7 Å²	148.7	94%	0.942	84%	0.844	S	S	*	*			trans	-69.1	139.5	172.6	0	0	0	0	0	111.5
543	G	40.1	Very low	40.8	Very low	71 Å²	71	151.7 Å²	151.7	73%	0.732	85%	0.846	S	S	*	*			trans	-162.7	82.9	177.6	0	0	0	0	0	112.7
544	V	43.2	Very low	40.4	Very low	138 Å²	138	151.1 Å²	151.1	84%	0.836	85%	0.845	S	S	*	*			trans	19.6	119.3	149.3	-172.5	0	0	0	0	118.6
545	I	39.8	Very low	39.9	Very low	154 Å²	154	145.8 Å²	145.8	79%	0.79	84%	0.843	S	S	*	*			trans	-84.9	125.1	160.9	-63.9	167.8	0	0	0	108
546	E	37.5	Very low	39.5	Very low	156 Å²	156	146.7 Å²	146.7	73%	0.729	85%	0.845	S	S	*	*			trans	-128.6	103.3	162.6	-153.2	177.2	-169.7	0	0	108.7
547	H	33.2	Very low	39.3	Very low	184 Å²	184	146.1 Å²	146.1	85%	0.852	85%	0.846	S	S	*	*			trans	-93.7	119.7	164.4	-111.6	-81.8	0	0	0	106.7
548	R	38.9	Very low	38.9	Very low	205 Å²	205	144.8 Å²	144.8	77%	0.774	85%	0.845	S	S	*	*			trans	-131.4	117.7	169.7	-129.2	-179.9	-157.9	-167.4	8.1	109.4
549	F	40	Very low	38.9	Very low	279 Å²	279	151 Å²	151	100%	1.224	85%	0.85	S	S	*	*			trans	30.9	0	162.9	-74.3	-82.5	0	0	0	120.4

Retrieved 549 of 549 residues in 295.4 ms (Link to these results)

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