A0A087XZH5_POEFO Loading...

Sulfotransferase

AlphaFold DB , UniProt , Accession A0A087XZH5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 526 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	31.5	Very low	24	Very low	233 Å²	233	169 Å²	169	100%	1.148	83%	0.832	S	S	*	*				0	117.2	0	-89.3	160.8	78.9	0	0	107.5
2	T	29.1	Very low	23.9	Very low	135 Å²	135	160 Å²	160	83%	0.828	82%	0.815	S	S	*	*			trans	51.7	109.7	161.7	53.3	0	0	0	0	116.7
3	Q	20	Very low	23.8	Very low	173 Å²	173	156.5 Å²	156.5	81%	0.808	81%	0.814	S	S	*	*			cis	43.6	131	31.2	-138.7	-178.7	7.9	0	0	117.4
4	M	22.3	Very low	24	Very low	151 Å²	151	154 Å²	154	74%	0.744	81%	0.809	S	S	*	*			trans	87.2	136.4	170.1	-67.2	-176	176.5	0	0	115.2
5	D	22.7	Very low	24.1	Very low	132 Å²	132	152.1 Å²	152.1	71%	0.706	81%	0.805	S	S	*	*			cis	-163.1	165.3	19.9	-126.4	-23.6	0	0	0	114.4
6	Y	22.2	Very low	24.2	Very low	196 Å²	196	150.9 Å²	150.9	77%	0.769	80%	0.8	S	S	*	*			trans	-61.2	154.4	-177.5	-80.7	-105.1	0	0	0	116.6
7	K	22.4	Very low	24.3	Very low	211 Å²	211	151.6 Å²	151.6	92%	0.917	80%	0.804	S	S	*	*				-157.8	113.5	129.2	-121.8	175.9	-176.5	178	0	113.6
8	Y	22.3	Very low	24.4	Very low	194 Å²	194	154.7 Å²	154.7	76%	0.761	80%	0.804	S	S	*	*			trans	-73.8	138.9	156	-94.7	-97	0	0	0	109.4
9	S	22.5	Very low	24.5	Very low	112 Å²	112	156.7 Å²	156.7	78%	0.783	81%	0.809	S	S	*	*			trans	-153.5	106.8	149.8	172.7	0	0	0	0	108.7
10	L	24	Very low	24.7	Very low	148 Å²	148	158.5 Å²	158.5	78%	0.775	81%	0.81	S	S	*	*			trans	-71.4	134.6	159.1	-92	130.1	0	0	0	109
11	L	25.3	Very low	24.9	Very low	174 Å²	174	161.8 Å²	161.8	91%	0.911	81%	0.813	S	S	*	*			trans	-155.3	114.2	143.4	-108.5	148.8	0	0	0	107.5
12	G	22.4	Very low	24.7	Very low	61 Å²	61	156.8 Å²	156.8	63%	0.629	80%	0.798	S	S	*	*			trans	-95.7	-154.5	-173.1	0	0	0	0	0	114.7
13	S	23.5	Very low	24.5	Very low	114 Å²	114	158.2 Å²	158.2	80%	0.797	80%	0.799	S	S	*	*			trans	87.3	119.8	-171.6	75.5	0	0	0	0	112.8
14	T	25.6	Very low	24.7	Very low	122 Å²	122	158.2 Å²	158.2	75%	0.748	80%	0.804	S	S	*	*			cis	-164.8	128.6	10.9	18.9	0	0	0	0	108.2
15	V	26.5	Very low	24.8	Very low	125 Å²	125	158.2 Å²	158.2	76%	0.758	81%	0.806	S	S	*	*				39.5	136	125.9	-176.9	0	0	0	0	117.6
16	D	25.5	Very low	24.9	Very low	134 Å²	134	160.5 Å²	160.5	72%	0.717	81%	0.813	S	S	*	*			cis	-174.8	140.7	-14.1	-101.8	-33.7	0	0	0	102.7
17	D	25.8	Very low	25.1	Very low	162 Å²	162	156.9 Å²	156.9	87%	0.866	81%	0.811	S	S	*	*				-178.3	123.4	116.7	-124	-20.6	0	0	0	112.1
18	Y	25.2	Very low	25.2	Very low	208 Å²	208	154 Å²	154	82%	0.816	81%	0.805	S	S	*	*			trans	-98.3	112.5	-176.1	-106.8	-100	0	0	0	109.5	K20	Y18-K20 PolarHBondContact O-N 2.98Å
19	H	27	Very low	25.4	Very low	192 Å²	192	152 Å²	152	89%	0.889	81%	0.808	S	S	*	*			trans	-71.3	98.3	163.6	-80.8	-62.4	0	0	0	110.4	R21	H19-R21 PolarHBondContact O-N 3.14Å
20	K	27.7	Very low	25.5	Very low	192 Å²	192	153.2 Å²	153.2	84%	0.835	81%	0.811	S	S	*	*			trans	-77.6	111.3	169	-81.1	-178.9	177.7	174.6	0	110.7	Y18	Y18-K20 PolarHBondContact O-N 2.98Å
21	R	30.2	Very low	25.6	Very low	228 Å²	228	151.7 Å²	151.7	86%	0.86	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-59.2	150.1	159	-64.3	173.8	178.9	176.8	-1.5	110.5	H19	H19-R21 PolarHBondContact O-N 3.14Å
22	P	27	Very low	25.6	Very low	128 Å²	128	152.2 Å²	152.2	83%	0.831	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-73.1	128.2	161	-9	25.7	0	0	0	109.8
23	L	24.3	Very low	25.7	Very low	165 Å²	165	156.6 Å²	156.6	86%	0.864	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-64.8	127.6	175.5	-84.4	146.5	0	0	0	111.2	L25	L23-L25 PolarHBondContact O-N 3.07Å
24	L	24.7	Very low	25.8	Very low	173 Å²	173	158.3 Å²	158.3	91%	0.906	82%	0.818	S	S	*	*			trans	-59.7	110.4	158.4	-95.5	142	0	0	0	108.6	Q26	L24-Q26 PolarHBondContact O-N 2.98Å
25	L	24.4	Very low	25.8	Very low	152 Å²	152	162.6 Å²	162.6	80%	0.796	83%	0.827	S	S	*	*			trans	-79.8	94.4	168.4	-96.6	156.7	0	0	0	108.8	L23 V27	L23-L25 PolarHBondContact O-N 3.07Å; L25-V27 HydrophobicContact CB-CG2 4.43Å; L25-V27 HydrophobicContact CD2-CG2 3.72Å
26	Q	25	Very low	25.7	Very low	180 Å²	180	161.5 Å²	161.5	84%	0.841	83%	0.831	S	S	*	*			trans	-74.7	116.8	156.4	-162.8	176.4	6.3	0	0	106.5	L24	L24-Q26 PolarHBondContact O-N 2.98Å
27	V	26.9	Very low	25.7	Very low	120 Å²	120	161.2 Å²	161.2	73%	0.727	83%	0.834	S	S	*	*			trans	-129.1	121.5	172.6	-177.8	0	0	0	0	109.3	L25	L25-V27 HydrophobicContact CB-CG2 4.43Å; L25-V27 HydrophobicContact CD2-CG2 3.72Å
28	D	23.1	Very low	25.6	Very low	149 Å²	149	161.3 Å²	161.3	80%	0.797	83%	0.833	S	S	*	*			trans	-63.8	157.1	178.9	-82	-45.8	0	0	0	114.3	T30	D28-T30 PolarHBondContact O-N 3.37Å
29	N	28	Very low	25.5	Very low	153 Å²	153	160 Å²	160	82%	0.818	83%	0.834	S	S	*	*	S	Bend	trans	-51.3	117	175.8	-72.5	-40.5	0	0	0	114.8
30	T	24.1	Very low	25.4	Very low	138 Å²	138	156.7 Å²	156.7	85%	0.847	83%	0.828	S	S	*	*				179.7	146.6	127.2	16.1	0	0	0	0	111.6	D28	D28-T30 PolarHBondContact O-N 3.37Å
31	P	26.6	Very low	25.2	Very low	115 Å²	115	155.9 Å²	155.9	75%	0.747	82%	0.824	S	S	*	*			trans	-93.5	125.9	-171.8	34.2	-28.5	0	0	0	112.4
32	M	24	Very low	25	Very low	185 Å²	185	156.4 Å²	156.4	91%	0.911	83%	0.826	S	S	*	*			trans	-95.3	110.4	161	-86.3	-165.1	93.1	0	0	110.6
33	N	25.2	Very low	24.9	Very low	154 Å²	154	156.5 Å²	156.5	82%	0.824	82%	0.82	S	S	*	*			trans	-67.2	123.5	163.6	-79.1	-38.7	0	0	0	110.1
34	L	24.6	Very low	25.3	Very low	149 Å²	149	156.6 Å²	156.6	78%	0.78	82%	0.82	S	S	*	*			trans	-147.1	78.9	163.4	-155.2	85	0	0	0	111.9
35	F	25.6	Very low	25.5	Very low	212 Å²	212	155.5 Å²	155.5	93%	0.93	82%	0.821	S	S	*	*			trans	-144.7	92.9	149.4	-79.4	-70.8	0	0	0	108.1	V37	F35-V37 PolarHBondContact O-N 2.98Å
36	A	25.3	Very low	25.8	Very low	103 Å²	103	159.9 Å²	159.9	85%	0.851	83%	0.827	S	S	*	*			trans	-70.8	116.8	167.7	0	0	0	0	0	108.7	L38	A36-L38 PolarHBondContact O-N 2.79Å
37	V	25.3	Very low	26.1	Very low	127 Å²	127	163.2 Å²	163.2	77%	0.77	83%	0.832	S	S	*	*			trans	-77.1	113.5	170.4	173.7	0	0	0	0	107.5	F35 E39	F35-V37 PolarHBondContact O-N 2.98Å; V37-E39 HydrophobicContact CG1-CB 4.48Å; V37-E39 PolarHBondContact O-N 3.31Å
38	L	23.6	Very low	26.6	Very low	165 Å²	165	163.1 Å²	163.1	86%	0.864	84%	0.837	S	S	*	*			trans	-84	93.6	166	-96.4	159.6	0	0	0	108.5	A36 V40	A36-L38 PolarHBondContact O-N 2.79Å; L38-V40 PolarHBondContact O-N 3.08Å
39	E	23.9	Very low	27.3	Very low	179 Å²	179	160.3 Å²	160.3	84%	0.836	83%	0.828	S	S	*	*			trans	-80.9	101.1	171.2	-146.6	174.9	-159.1	0	0	108.5	V37 K41	V37-E39 HydrophobicContact CG1-CB 4.48Å; V37-E39 PolarHBondContact O-N 3.31Å; E39-K41 PolarHBondContact O-N 2.96Å
40	V	23.9	Very low	28.1	Very low	124 Å²	124	159.4 Å²	159.4	75%	0.752	83%	0.829	S	S	*	*			trans	-89.1	100.8	174.9	178.8	0	0	0	0	109.1	L38 R42	L38-V40 PolarHBondContact O-N 3.08Å; V40-R42 PolarHBondContact O-N 2.71Å
41	K	24.6	Very low	29.1	Very low	175 Å²	175	157.7 Å²	157.7	76%	0.761	82%	0.818	S	S	*	*			trans	-63.3	119.1	167.8	-160.5	179.3	-176.3	-172.4	0	109.2	E39	E39-K41 PolarHBondContact O-N 2.96Å
42	R	25.7	Very low	29.9	Very low	239 Å²	239	153.8 Å²	153.8	90%	0.902	80%	0.798	S	S	*	*			trans	-93.8	95.6	174.3	-112.8	-178.6	173.5	160.6	-0.5	109	V40	V40-R42 PolarHBondContact O-N 2.71Å
43	D	24.6	Very low	30.8	Very low	129 Å²	129	149.5 Å²	149.5	69%	0.69	79%	0.786	S	S	*	*			trans	-85.4	133	163.2	-82.8	-35.3	0	0	0	109.9
44	L	32.3	Very low	31.7	Very low	168 Å²	168	149.4 Å²	149.4	88%	0.88	78%	0.778	S	S	*	*			trans	-68.2	129.7	170.9	-95	86.5	0	0	0	109.8
45	T	28	Very low	33.1	Very low	150 Å²	150	148 Å²	148	92%	0.92	77%	0.77	S	S	*	*			trans	-160.4	145.5	141.4	10.6	0	0	0	0	111.4
46	R	32.1	Very low	34.5	Very low	244 Å²	244	147.6 Å²	147.6	92%	0.921	76%	0.762	S	S	*	*			trans	-98	130.3	-163.6	-175.6	-174.7	-172.7	-173.8	2.9	110.1
47	R	30.5	Very low	36.2	Very low	249 Å²	249	147.7 Å²	147.7	94%	0.94	75%	0.748	S	S	*	*			trans	-166.8	133.6	140.7	-114.2	171.6	-179.3	179.4	-0	112.8
48	S	37.2	Very low	38.2	Very low	119 Å²	119	149.3 Å²	149.3	83%	0.832	74%	0.741	S	S	*	*			trans	-78.7	138.2	179.9	180	0	0	0	0	111.1
49	S	37.3	Very low	40.6	Very low	89 Å²	89	143.1 Å²	143.1	62%	0.622	72%	0.717	S	S	*	*			trans	-147.2	138.3	152.9	71.6	0	0	0	0	110.8	V51 G52	S49-V51 PolarHBondContact O-N 3.17Å; S49-G52 PolarHBondContact O-N 3.09Å
50	T	46.3	Very low	42.9	Very low	135 Å²	135	140.8 Å²	140.8	83%	0.828	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	8.9	-168.6	-9.1	0	0	0	0	114.5
51	V	45.4	Very low	45.4	Very low	101 Å²	101	139.1 Å²	139.1	61%	0.612	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	-24.7	176.9	-177.6	0	0	0	0	111.6	S49 C53 I55	S49-V51 PolarHBondContact O-N 3.17Å; V51-C53 VanDerWaalsContact C-N 3.27Å; V51-C53 PolarHBondContact O-N 3.34Å; V51-I55 HydrophobicContact CG1-CD1 4.38Å
52	G	41.9	Very low	48	Very low	33 Å²	33	137.2 Å²	137.2	34%	0.34	68%	0.683	S	S	.	*	H	α-helix	trans	-69.9	-19	178.3	0	0	0	0	0	114.7	S49 R56	S49-G52 PolarHBondContact O-N 3.09Å; G52-R56 WeakPolarHBondContact O-CB 3.34Å; G52-R56 WeakPolarHBondContact O-CG 3.36Å; G52-R56 PolarHBondContact O-N 2.75Å
53	C	42.8	Very low	50.5	Low	95 Å²	95	129.8 Å²	129.8	64%	0.642	66%	0.664	S	S	*	*	H	α-helix	trans	-74.7	-38.3	-177.6	-154.4	0	0	0	0	112	V51 L57	V51-C53 VanDerWaalsContact C-N 3.27Å; V51-C53 PolarHBondContact O-N 3.34Å; C53-L57 WeakPolarHBondContact O-CB 3.42Å; C53-L57 PolarHBondContact O-N 3.29Å
54	K	44.6	Very low	53.1	Low	152 Å²	152	127.9 Å²	127.9	66%	0.661	65%	0.653	S	S	*	*	H	α-helix	trans	-70.9	-40.1	175.7	-71.2	-171.8	177.9	-177.9	0	111.8	R56 L57 Y58	K54-R56 VanDerWaalsContact C-N 3.34Å; K54-R56 PolarHBondContact O-N 2.8Å; K54-L57 PolarHBondContact O-N 2.66Å; K54-Y58 HydrophobicContact CB-CD2 4.42Å; K54-Y58 HydrophobicContact CB-CE2 4.24Å; K54-Y58 WeakPolarHBondContact O-CD2 3.47Å; K54-Y58 PolarHBondContact O-N 3.23Å
55	I	55.1	Low	55.4	Low	119 Å²	119	122.2 Å²	122.2	61%	0.61	63%	0.631	S	S	*	*	H	α-helix	trans	-65.3	-38.1	177.1	-61.7	171.4	0	0	0	111.1	V51 G59	V51-I55 HydrophobicContact CG1-CD1 4.38Å; I55-G59 PolarHBondContact O-N 2.9Å
56	R	53.7	Low	57.9	Low	205 Å²	205	118.4 Å²	118.4	77%	0.774	60%	0.604	S	S	*	*	H	α-helix	trans	-69.3	-35.8	173.1	-77.6	179.8	-178.9	173.6	1.3	113	G52 K54 G59 F60	G52-R56 WeakPolarHBondContact O-CB 3.34Å; G52-R56 WeakPolarHBondContact O-CG 3.36Å; G52-R56 PolarHBondContact O-N 2.75Å; K54-R56 VanDerWaalsContact C-N 3.34Å; K54-R56 PolarHBondContact O-N 2.8Å; R56-G59 PolarHBondContact O-N 3.32Å; R56-F60 VanDerWaalsContact O-CB 3.26Å; R56-F60 WeakPolarHBondContact O-CB 3.49Å; R56-F60 PolarHBondContact O-N 2.91Å
57	L	62	Low	60.1	Low	104 Å²	104	112 Å²	112	55%	0.545	59%	0.586	S	S	.	*	H	α-helix	trans	-67.7	-45	176.4	-162.6	77.4	0	0	0	111.3	C53 K54 F60 L61	C53-L57 WeakPolarHBondContact O-CB 3.42Å; C53-L57 PolarHBondContact O-N 3.29Å; K54-L57 PolarHBondContact O-N 2.66Å; L57-F60 PolarHBondContact O-N 3.26Å; L57-L61 HydrophobicContact CG-CD1 4.26Å; L57-L61 WeakPolarHBondContact O-CB 3.32Å; L57-L61 VanDerWaalsContact O-CG 3.27Å; L57-L61 WeakPolarHBondContact O-CG 3.19Å; L57-L61 PolarHBondContact O-N 3.02Å
58	Y	66.3	Low	62.6	Low	161 Å²	161	107.5 Å²	107.5	63%	0.631	57%	0.573	S	S	*	*	H	α-helix	trans	-67	-36.4	174.8	-70.1	-62.4	0	0	0	112.2	K54 F62	K54-Y58 HydrophobicContact CB-CD2 4.42Å; K54-Y58 HydrophobicContact CB-CE2 4.24Å; K54-Y58 WeakPolarHBondContact O-CD2 3.47Å; K54-Y58 PolarHBondContact O-N 3.23Å; Y58-F62 WeakPolarHBondContact O-CB 3.36Å; Y58-F62 PolarHBondContact O-N 2.86Å
59	G	73.6	Confident	64.3	Low	35 Å²	35	107.6 Å²	107.6	36%	0.361	56%	0.564	S	S	.	*	H	α-helix	trans	-63.9	-41.8	172.3	0	0	0	0	0	112.7	I55 R56 F62 V63	I55-G59 PolarHBondContact O-N 2.9Å; R56-G59 PolarHBondContact O-N 3.32Å; G59-F62 PolarHBondContact O-N 3.21Å; G59-V63 VanDerWaalsContact O-CG2 3.31Å; G59-V63 WeakPolarHBondContact O-CG2 3.14Å; G59-V63 PolarHBondContact O-N 2.91Å
60	F	74	Confident	65.9	Low	130 Å²	130	107.2 Å²	107.2	57%	0.57	55%	0.554	S	S	*	*	H	α-helix	trans	-68.7	-41.7	177.2	-171.8	-103.9	0	0	0	112.2	R56 L57 F62 V63 L64	R56-F60 VanDerWaalsContact O-CB 3.26Å; R56-F60 WeakPolarHBondContact O-CB 3.49Å; R56-F60 PolarHBondContact O-N 2.91Å; L57-F60 PolarHBondContact O-N 3.26Å; F60-F62 VanDerWaalsContact C-N 3.31Å; F60-F62 PolarHBondContact O-N 3.36Å; F60-V63 PolarHBondContact O-N 2.77Å; F60-L64 HydrophobicContact CD1-CD1 3.63Å; F60-L64 HydrophobicContact CE1-CD1 3.29Å; F60-L64 HydrophobicContact CE1-CG 4.2Å; F60-L64 HydrophobicContact CZ-CD1 3.97Å; F60-L64 HydrophobicContact CZ-CG 4.48Å; F60-L64 WeakPolarHBondContact O-CB 2.71Å; F60-L64 PolarHBondContact O-N 3.06Å
61	L	76.1	Confident	67	Low	90 Å²	90	106 Å²	106	47%	0.471	54%	0.54	S	S	.	.	H	α-helix	trans	-64.4	-36	174	-73.4	168.3	0	0	0	112	L57 L64 A65	L57-L61 HydrophobicContact CG-CD1 4.26Å; L57-L61 WeakPolarHBondContact O-CB 3.32Å; L57-L61 VanDerWaalsContact O-CG 3.27Å; L57-L61 WeakPolarHBondContact O-CG 3.19Å; L57-L61 PolarHBondContact O-N 3.02Å; L61-L64 PolarHBondContact O-N 3.18Å; L61-A65 VanDerWaalsContact O-CB 3.31Å; L61-A65 WeakPolarHBondContact O-CB 3.41Å; L61-A65 PolarHBondContact O-N 3.45Å
62	F	78.7	Confident	67.9	Low	135 Å²	135	102.5 Å²	102.5	59%	0.592	52%	0.522	S	S	*	.	H	α-helix	trans	-67.5	-41.9	175	-173.8	-105.5	0	0	0	111.9	Y58 G59 F60 A65 I66	Y58-F62 WeakPolarHBondContact O-CB 3.36Å; Y58-F62 PolarHBondContact O-N 2.86Å; G59-F62 PolarHBondContact O-N 3.21Å; F60-F62 VanDerWaalsContact C-N 3.31Å; F60-F62 PolarHBondContact O-N 3.36Å; F62-A65 PolarHBondContact O-N 3.43Å; F62-I66 HydrophobicContact CD1-CD1 3.7Å; F62-I66 HydrophobicContact CE1-CD1 3.29Å; F62-I66 HydrophobicContact CE1-CG1 4.34Å; F62-I66 HydrophobicContact CE2-CD1 4.47Å; F62-I66 HydrophobicContact CG-CD1 4.45Å; F62-I66 HydrophobicContact CZ-CD1 3.73Å; F62-I66 HydrophobicContact CZ-CG1 4.47Å; F62-I66 WeakPolarHBondContact O-CG1 3.47Å; F62-I66 PolarHBondContact O-N 3.32Å
63	V	77.3	Confident	68.7	Low	83 Å²	83	103.7 Å²	103.7	50%	0.503	53%	0.525	S	S	.	.	H	α-helix	trans	-65.6	-40.6	174.7	172.2	0	0	0	0	111.4	G59 F60 I66 M67	G59-V63 VanDerWaalsContact O-CG2 3.31Å; G59-V63 WeakPolarHBondContact O-CG2 3.14Å; G59-V63 PolarHBondContact O-N 2.91Å; F60-V63 PolarHBondContact O-N 2.77Å; V63-I66 PolarHBondContact O-N 3.37Å; V63-M67 WeakPolarHBondContact O-CB 3.27Å; V63-M67 WeakPolarHBondContact O-CG 3.33Å; V63-M67 PolarHBondContact O-N 3.1Å
64	L	79.9	Confident	69.1	Low	88 Å²	88	107.1 Å²	107.1	46%	0.461	53%	0.526	S	S	.	.	H	α-helix	trans	-63.8	-40.9	174	-87.8	165.8	0	0	0	112.2	F60 L61 M67 F68	F60-L64 HydrophobicContact CD1-CD1 3.63Å; F60-L64 HydrophobicContact CE1-CD1 3.29Å; F60-L64 HydrophobicContact CE1-CG 4.2Å; F60-L64 HydrophobicContact CZ-CD1 3.97Å; F60-L64 HydrophobicContact CZ-CG 4.48Å; F60-L64 WeakPolarHBondContact O-CB 2.71Å; F60-L64 PolarHBondContact O-N 3.06Å; L61-L64 PolarHBondContact O-N 3.18Å; L64-M67 PolarHBondContact O-N 3.49Å; L64-F68 VanDerWaalsContact O-CB 3.3Å; L64-F68 WeakPolarHBondContact O-CB 3.3Å; L64-F68 PolarHBondContact O-N 3.07Å
65	A	81.2	Confident	69.8	Low	49 Å²	49	105.2 Å²	105.2	41%	0.405	53%	0.526	S	S	.	.	H	α-helix	trans	-64.5	-40.8	175.7	0	0	0	0	0	111.7	L61 F62 F68 L69	L61-A65 VanDerWaalsContact O-CB 3.31Å; L61-A65 WeakPolarHBondContact O-CB 3.41Å; L61-A65 PolarHBondContact O-N 3.45Å; F62-A65 PolarHBondContact O-N 3.43Å; A65-F68 PolarHBondContact O-N 3.07Å; A65-L69 WeakPolarHBondContact O-CB 3.44Å; A65-L69 VanDerWaalsContact O-CG 3.29Å; A65-L69 WeakPolarHBondContact O-CG 3.47Å; A65-L69 PolarHBondContact O-N 3Å
66	I	80.7	Confident	69.6	Low	71 Å²	71	106.3 Å²	106.3	36%	0.364	53%	0.533	S	S	.	.	H	α-helix	trans	-64.5	-46.3	174.1	-72.3	172.6	0	0	0	110.9	F62 V63 F68 L69 I70	F62-I66 HydrophobicContact CD1-CD1 3.7Å; F62-I66 HydrophobicContact CE1-CD1 3.29Å; F62-I66 HydrophobicContact CE1-CG1 4.34Å; F62-I66 HydrophobicContact CE2-CD1 4.47Å; F62-I66 HydrophobicContact CG-CD1 4.45Å; F62-I66 HydrophobicContact CZ-CD1 3.73Å; F62-I66 HydrophobicContact CZ-CG1 4.47Å; F62-I66 WeakPolarHBondContact O-CG1 3.47Å; F62-I66 PolarHBondContact O-N 3.32Å; V63-I66 PolarHBondContact O-N 3.37Å; I66-F68 VanDerWaalsContact C-N 3.31Å; I66-F68 PolarHBondContact O-N 3.21Å; I66-L69 PolarHBondContact O-N 3.43Å; I66-I70 HydrophobicContact CG2-CD1 3.67Å; I66-I70 HydrophobicContact CG2-CG1 4.35Å; I66-I70 VanDerWaalsContact O-CG1 3.25Å; I66-I70 WeakPolarHBondContact O-CG1 3.49Å; I66-I70 PolarHBondContact O-N 3.34Å
67	M	76.8	Confident	69.3	Low	110 Å²	110	100.6 Å²	100.6	54%	0.542	52%	0.521	S	S	.	.	H	α-helix	trans	-62.4	-39.9	177	-79.1	-144.2	70	0	0	111.9	V63 L64 I70 M71	V63-M67 WeakPolarHBondContact O-CB 3.27Å; V63-M67 WeakPolarHBondContact O-CG 3.33Å; V63-M67 PolarHBondContact O-N 3.1Å; L64-M67 PolarHBondContact O-N 3.49Å; M67-I70 PolarHBondContact O-N 2.72Å; M67-M71 WeakPolarHBondContact O-CB 3.29Å; M67-M71 VanDerWaalsContact O-CG 3.26Å; M67-M71 WeakPolarHBondContact O-CG 3.38Å; M67-M71 PolarHBondContact O-N 2.98Å
68	F	83.1	Confident	68.4	Low	154 Å²	154	98.5 Å²	98.5	68%	0.675	52%	0.524	S	S	*	.	H	α-helix	trans	-65.3	-40.9	175.6	-170.7	-93.2	0	0	0	111.6	L64 A65 I66 M71 A72	L64-F68 VanDerWaalsContact O-CB 3.3Å; L64-F68 WeakPolarHBondContact O-CB 3.3Å; L64-F68 PolarHBondContact O-N 3.07Å; A65-F68 PolarHBondContact O-N 3.07Å; I66-F68 VanDerWaalsContact C-N 3.31Å; I66-F68 PolarHBondContact O-N 3.21Å; F68-M71 PolarHBondContact O-N 3.24Å; F68-A72 WeakPolarHBondContact O-CB 3.41Å; F68-A72 PolarHBondContact O-N 3.2Å
69	L	74.2	Confident	67.3	Low	120 Å²	120	98.2 Å²	98.2	63%	0.628	53%	0.534	S	S	*	.	H	α-helix	trans	-65.9	-36.6	174.8	-75.6	167.2	0	0	0	112.5	A65 I66 S73	A65-L69 WeakPolarHBondContact O-CB 3.44Å; A65-L69 VanDerWaalsContact O-CG 3.29Å; A65-L69 WeakPolarHBondContact O-CG 3.47Å; A65-L69 PolarHBondContact O-N 3Å; I66-L69 PolarHBondContact O-N 3.43Å; L69-S73 VanDerWaalsContact O-CB 3.25Å; L69-S73 WeakPolarHBondContact O-CB 3.43Å; L69-S73 PolarHBondContact O-N 2.74Å; L69-S73 PolarHBondContact O-OG 3.17Å
70	I	70.8	Confident	65.4	Low	82 Å²	82	105.1 Å²	105.1	42%	0.421	55%	0.554	S	S	.	*	H	α-helix	trans	-68.3	-44.7	174.1	-67.4	166.4	0	0	0	110.4	I66 M67 S73 Y74	I66-I70 HydrophobicContact CG2-CD1 3.67Å; I66-I70 HydrophobicContact CG2-CG1 4.35Å; I66-I70 VanDerWaalsContact O-CG1 3.25Å; I66-I70 WeakPolarHBondContact O-CG1 3.49Å; I66-I70 PolarHBondContact O-N 3.34Å; M67-I70 PolarHBondContact O-N 2.72Å; I70-S73 PolarHBondContact O-N 3.42Å; I70-S73 PolarHBondContact O-OG 2.76Å; I70-Y74 HydrophobicContact CG2-CD2 4.07Å; I70-Y74 HydrophobicContact CG2-CE2 4.22Å; I70-Y74 WeakPolarHBondContact O-CD2 3.42Å; I70-Y74 PolarHBondContact O-N 3.45Å
71	M	67.9	Low	63.8	Low	108 Å²	108	109.2 Å²	109.2	53%	0.532	57%	0.572	S	S	.	*	H	α-helix	trans	-68.3	-41	178.6	-70	-59.6	-63.5	0	0	111.6	M67 F68 S73 Y74 V75	M67-M71 WeakPolarHBondContact O-CB 3.29Å; M67-M71 VanDerWaalsContact O-CG 3.26Å; M67-M71 WeakPolarHBondContact O-CG 3.38Å; M67-M71 PolarHBondContact O-N 2.98Å; F68-M71 PolarHBondContact O-N 3.24Å; M71-S73 VanDerWaalsContact C-N 3.32Å; M71-S73 PolarHBondContact O-N 3.14Å; M71-Y74 PolarHBondContact O-N 3.27Å; M71-V75 VanDerWaalsContact O-CG2 3.28Å; M71-V75 WeakPolarHBondContact O-CG2 3.5Å; M71-V75 PolarHBondContact O-N 3.11Å
72	A	65.6	Low	62	Low	28 Å²	28	108.3 Å²	108.3	23%	0.231	58%	0.584	C	S	.	*	H	α-helix	trans	-64.8	-35.9	173.9	0	0	0	0	0	111.4	F68 V75 L76	F68-A72 WeakPolarHBondContact O-CB 3.41Å; F68-A72 PolarHBondContact O-N 3.2Å; A72-V75 PolarHBondContact O-N 2.94Å; A72-L76 WeakPolarHBondContact O-CB 3.19Å; A72-L76 WeakPolarHBondContact O-CD1 3.34Å; A72-L76 VanDerWaalsContact O-CG 3.25Å; A72-L76 WeakPolarHBondContact O-CG 3.41Å; A72-L76 PolarHBondContact O-N 2.86Å
73	S	57.7	Low	59.7	Low	58 Å²	58	108.8 Å²	108.8	41%	0.406	59%	0.592	S	S	.	*	H	α-helix	trans	-67.4	-39.7	174.4	76	0	0	0	0	111.6	L69 I70 M71 T77	L69-S73 VanDerWaalsContact O-CB 3.25Å; L69-S73 WeakPolarHBondContact O-CB 3.43Å; L69-S73 PolarHBondContact O-N 2.74Å; L69-S73 PolarHBondContact O-OG 3.17Å; I70-S73 PolarHBondContact O-N 3.42Å; I70-S73 PolarHBondContact O-OG 2.76Å; M71-S73 VanDerWaalsContact C-N 3.32Å; M71-S73 PolarHBondContact O-N 3.14Å; S73-T77 VanDerWaalsContact O-CB 3.3Å; S73-T77 WeakPolarHBondContact O-CB 3.22Å; S73-T77 WeakPolarHBondContact O-CG2 3.08Å; S73-T77 PolarHBondContact O-N 3.29Å; S73-T77 PolarHBondContact O-OG1 2.87Å
74	Y	52.4	Low	57.9	Low	167 Å²	167	112.8 Å²	112.8	66%	0.655	61%	0.61	S	S	*	*	H	α-helix	trans	-64.6	-38.8	173	-95.3	-88.3	0	0	0	113	I70 M71 G78	I70-Y74 HydrophobicContact CG2-CD2 4.07Å; I70-Y74 HydrophobicContact CG2-CE2 4.22Å; I70-Y74 WeakPolarHBondContact O-CD2 3.42Å; I70-Y74 PolarHBondContact O-N 3.45Å; M71-Y74 PolarHBondContact O-N 3.27Å; Y74-G78 PolarHBondContact O-N 2.95Å; Y74-G78 VanDerWaalsContact O-N 3.08Å
75	V	59.6	Low	55.8	Low	112 Å²	112	116.6 Å²	116.6	68%	0.679	63%	0.63	S	S	*	*	H	α-helix	trans	-74.5	-37.6	178.7	173.3	0	0	0	0	111.5	M71 A72 G78	M71-V75 VanDerWaalsContact O-CG2 3.28Å; M71-V75 WeakPolarHBondContact O-CG2 3.5Å; M71-V75 PolarHBondContact O-N 3.11Å; A72-V75 PolarHBondContact O-N 2.94Å; V75-G78 PolarHBondContact O-N 3.22Å
76	L	51	Low	53.4	Low	143 Å²	143	118.7 Å²	118.7	75%	0.749	64%	0.637	S	S	*	*	H	α-helix	trans	-78.7	-21.1	177.2	-70.6	163.7	0	0	0	113.3	A72	A72-L76 WeakPolarHBondContact O-CB 3.19Å; A72-L76 WeakPolarHBondContact O-CD1 3.34Å; A72-L76 VanDerWaalsContact O-CG 3.25Å; A72-L76 WeakPolarHBondContact O-CG 3.41Å; A72-L76 PolarHBondContact O-N 2.86Å
77	T	47.4	Very low	50.8	Low	84 Å²	84	121.4 Å²	121.4	52%	0.515	66%	0.659	S	S	.	*	H	α-helix	trans	-92.2	-5.4	170.6	51	0	0	0	0	113.7	S73 D79	S73-T77 VanDerWaalsContact O-CB 3.3Å; S73-T77 WeakPolarHBondContact O-CB 3.22Å; S73-T77 WeakPolarHBondContact O-CG2 3.08Å; S73-T77 PolarHBondContact O-N 3.29Å; S73-T77 PolarHBondContact O-OG1 2.87Å; T77-D79 PolarHBondContact O-N 3.16Å
78	G	42.4	Very low	48.5	Very low	60 Å²	60	119.1 Å²	119.1	62%	0.619	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	-8.7	177	0	0	0	0	0	115	Y74 V75	Y74-G78 PolarHBondContact O-N 2.95Å; Y74-G78 VanDerWaalsContact O-N 3.08Å; V75-G78 PolarHBondContact O-N 3.22Å
79	D	42.6	Very low	45.9	Very low	156 Å²	156	117.4 Å²	117.4	83%	0.834	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.8	4.5	-175.1	-114.2	-12.2	0	0	0	116	T77	T77-D79 PolarHBondContact O-N 3.16Å
80	K	33.6	Very low	44.1	Very low	179 Å²	179	121.1 Å²	121.1	78%	0.778	67%	0.666	S	S	*	*	S	Bend	trans	-141.9	123.5	173.5	-70.3	-171.6	-179.5	176.9	0	112.7
81	K	41.8	Very low	42	Very low	217 Å²	217	124.6 Å²	124.6	94%	0.943	68%	0.68	S	S	*	*			trans	-38.4	132.1	165.3	-67.9	174.5	175.2	178.1	0	111.9
82	G	36.5	Very low	40.2	Very low	71 Å²	71	126.3 Å²	126.3	73%	0.732	69%	0.69	S	S	*	*			trans	98.7	109.4	155.8	0	0	0	0	0	116.1
83	L	31.7	Very low	38.5	Very low	145 Å²	145	132.3 Å²	132.3	76%	0.759	72%	0.719	S	S	*	*			trans	-73	127.5	159.4	-99.8	141.8	0	0	0	109.1
84	L	39.9	Very low	37.2	Very low	167 Å²	167	132.7 Å²	132.7	87%	0.874	73%	0.732	S	S	*	*	S	Bend	trans	-91.7	3.9	-173.4	-116.9	162.8	0	0	0	114.8
85	L	35.3	Very low	36.1	Very low	168 Å²	168	132.8 Å²	132.8	88%	0.88	74%	0.743	S	S	*	*	S	Bend	trans	-142.7	15.8	-178.8	-75.9	176.1	0	0	0	116.4
86	T	31.2	Very low	34.5	Very low	92 Å²	92	132.5 Å²	132.5	56%	0.564	74%	0.741	S	S	*	*	S	Bend	trans	-146.6	127	159.7	46.6	0	0	0	0	108.4	S88	T86-S88 PolarHBondContact O-N 2.92Å
87	P	26.2	Very low	33.4	Very low	128 Å²	128	130.9 Å²	130.9	83%	0.831	74%	0.742	S	S	*	*			trans	-64.2	126.9	171	25	-28.3	0	0	0	108.3
88	S	26.7	Very low	32.4	Very low	62 Å²	62	132.5 Å²	132.5	43%	0.434	75%	0.754	S	S	.	*			trans	-48.9	134.4	167.1	171.1	0	0	0	0	109.6	T86 Y90	T86-S88 PolarHBondContact O-N 2.92Å; S88-Y90 PolarHBondContact O-N 2.04Å; S88-Y90 PolarHBondContact OG-N 2.86Å
89	P	29.6	Very low	32.1	Very low	119 Å²	119	131.7 Å²	131.7	77%	0.773	75%	0.745	S	S	*	*	S	Bend	trans	-70.6	6.1	177.9	29.5	-32.4	0	0	0	113.1
90	Y	35.2	Very low	31.6	Very low	198 Å²	198	129.9 Å²	129.9	78%	0.776	74%	0.742	S	S	*	*			trans	-112.8	61.5	173.4	-57.2	-72.9	0	0	0	110.9	S88	S88-Y90 PolarHBondContact O-N 2.04Å; S88-Y90 PolarHBondContact OG-N 2.86Å
91	H	28.2	Very low	31.9	Very low	154 Å²	154	126 Å²	126	71%	0.713	73%	0.725	S	S	*	*			trans	-137.6	95.2	154.6	-83.9	-73.2	0	0	0	107.8	N93	H91-N93 PolarHBondContact O-N 2.78Å
92	L	30.4	Very low	31.3	Very low	144 Å²	144	120.4 Å²	120.4	75%	0.754	72%	0.72	S	S	*	*			trans	-74.5	71.7	167.1	-162.4	87.3	0	0	0	108.4	V96	L92-V96 HydrophobicContact CD2-CG2 4.08Å
93	N	28.7	Very low	31.5	Very low	154 Å²	154	123 Å²	123	82%	0.824	71%	0.711	S	S	*	*			trans	-93.4	112.3	161	-91.9	3.3	0	0	0	107.7	H91	H91-N93 PolarHBondContact O-N 2.78Å
94	G	31.6	Very low	31.5	Very low	67 Å²	67	123.6 Å²	123.6	69%	0.691	72%	0.716	S	S	*	*	S	Bend	trans	103.2	59.2	162.5	0	0	0	0	0	116.2
95	L	27.9	Very low	31.6	Very low	169 Å²	169	120 Å²	120	89%	0.885	70%	0.697	S	S	*	*			trans	-162.2	23.1	142	-103.8	151.3	0	0	0	112
96	V	27.7	Very low	31.9	Very low	106 Å²	106	117.8 Å²	117.8	64%	0.642	69%	0.69	S	S	*	*			trans	-88.7	103.6	160.1	179.7	0	0	0	0	104.6	L92	L92-V96 HydrophobicContact CD2-CG2 4.08Å
97	S	26	Very low	32.5	Very low	109 Å²	109	118.7 Å²	118.7	76%	0.762	70%	0.701	S	S	*	*			trans	-55.8	128.6	155.2	-155.7	0	0	0	0	105.6	G99	S97-G99 VanDerWaalsContact C-N 3.26Å; S97-G99 PolarHBondContact O-N 2.85Å
98	P	28.2	Very low	33.3	Very low	117 Å²	117	118.8 Å²	118.8	76%	0.76	70%	0.698	S	S	*	*			trans	-63.8	95.9	178.7	25.9	-30.1	0	0	0	107.3
99	G	35.2	Very low	34.7	Very low	43 Å²	43	118.7 Å²	118.7	44%	0.443	71%	0.707	S	S	.	*			trans	-56.6	153.3	157.7	0	0	0	0	0	107.8	S97 F101	S97-G99 VanDerWaalsContact C-N 3.26Å; S97-G99 PolarHBondContact O-N 2.85Å; G99-F101 PolarHBondContact O-N 2.59Å
100	P	32.6	Very low	36.6	Very low	119 Å²	119	117.4 Å²	117.4	77%	0.773	69%	0.694	S	S	*	*	S	Bend	trans	-69.2	11.9	-164.6	29.8	-36.2	0	0	0	114.8	A102	P100-A102 PolarHBondContact O-N 3.37Å
101	F	39.4	Very low	38.5	Very low	96 Å²	96	111.4 Å²	111.4	42%	0.421	67%	0.67	S	S	.	*			trans	-96.9	99.7	-168.2	-55.5	-70.8	0	0	0	111.7	G99 F103 E394 Y395	G99-F101 PolarHBondContact O-N 2.59Å; F101-F103 HydrophobicContact CB-CD2 3.99Å; F101-F103 HydrophobicContact CB-CE1 4.41Å; F101-F103 HydrophobicContact CB-CE2 3.36Å; F101-F103 HydrophobicContact CB-CZ 3.61Å; F101-F103 HydrophobicContact CD1-CZ 4.45Å; F101-F103 HydrophobicContact CG-CE2 4.21Å; F101-F103 HydrophobicContact CG-CZ 4.07Å; F101-F103 PolarHBondContact O-N 2.94Å; F101-E394 HydrophobicContact CE1-CG 4.3Å; F101-Y395 HydrophobicContact CZ-CE2 4.37Å
102	A	29.1	Very low	41.1	Very low	101 Å²	101	106.4 Å²	106.4	84%	0.835	66%	0.655	S	S	*	*			trans	-84.1	96	163.7	0	0	0	0	0	109.1	P100 N104	P100-A102 PolarHBondContact O-N 3.37Å; A102-N104 PolarHBondContact O-N 3Å
103	F	41.8	Very low	43.8	Very low	124 Å²	124	103.7 Å²	103.7	54%	0.544	64%	0.639	S	S	.	*			trans	-82	106.3	174.8	-64.3	-75.1	0	0	0	109.9	F101 L105 L387	F101-F103 HydrophobicContact CB-CD2 3.99Å; F101-F103 HydrophobicContact CB-CE1 4.41Å; F101-F103 HydrophobicContact CB-CE2 3.36Å; F101-F103 HydrophobicContact CB-CZ 3.61Å; F101-F103 HydrophobicContact CD1-CZ 4.45Å; F101-F103 HydrophobicContact CG-CE2 4.21Å; F101-F103 HydrophobicContact CG-CZ 4.07Å; F101-F103 PolarHBondContact O-N 2.94Å; F103-L105 PolarHBondContact O-N 3.23Å; F103-L387 HydrophobicContact CE1-CD2 4.48Å
104	N	31.3	Very low	46.8	Very low	159 Å²	159	96.6 Å²	96.6	85%	0.85	60%	0.601	S	S	*	*			trans	-87.5	76.5	175.6	-140.5	7.3	0	0	0	109	A102 T106	A102-N104 PolarHBondContact O-N 3Å; N104-T106 PolarHBondContact O-N 3.09Å
105	L	42.3	Very low	49.6	Very low	91 Å²	91	97.4 Å²	97.4	48%	0.476	59%	0.585	S	S	.	*			trans	-80.7	99.8	-176.2	-144.1	80.8	0	0	0	109.7	F103 E383	F103-L105 PolarHBondContact O-N 3.23Å; L105-E383 HydrophobicContact CD2-CG 4.32Å
106	T	41.5	Very low	52.8	Low	122 Å²	122	94.5 Å²	94.5	75%	0.748	57%	0.57	S	S	*	*			trans	-86.8	109	171.2	35.3	0	0	0	0	109.1	N104 V108	N104-T106 PolarHBondContact O-N 3.09Å; T106-V108 PolarHBondContact O-N 3.22Å; T106-V108 VanDerWaalsContact O-N 3.1Å
107	S	43	Very low	56	Low	111 Å²	111	89.6 Å²	89.6	78%	0.776	54%	0.54	S	S	*	.			trans	-80.3	85.7	175.2	66.1	0	0	0	0	110.4
108	V	44.1	Very low	59.3	Low	130 Å²	130	84.5 Å²	84.5	79%	0.788	50%	0.504	S	S	*	.			trans	-139.7	114.3	152.2	-179.8	0	0	0	0	106.8	T106 D110	T106-V108 PolarHBondContact O-N 3.22Å; T106-V108 VanDerWaalsContact O-N 3.1Å; V108-D110 VanDerWaalsContact C-N 3.32Å; V108-D110 PolarHBondContact O-N 2.87Å
109	G	55.2	Low	62.6	Low	60 Å²	60	85.8 Å²	85.8	62%	0.619	50%	0.498	S	S	*	.			trans	-63.8	84.6	179.5	0	0	0	0	0	112.5
110	D	68.8	Low	65.5	Low	92 Å²	92	85 Å²	85	49%	0.492	49%	0.486	S	S	.	.			trans	-88.7	105.9	161.4	-172	-2.4	0	0	0	108.3	V108 A112 H113 I114	V108-D110 VanDerWaalsContact C-N 3.32Å; V108-D110 PolarHBondContact O-N 2.87Å; D110-A112 PolarHBondContact O-N 3.34Å; D110-A112 VanDerWaalsContact O-N 3.15Å; D110-A112 VanDerWaalsContact OD1-CB 3.27Å; D110-A112 WeakPolarHBondContact OD1-CB 3.07Å; D110-A112 PolarHBondContact OD1-N 3.22Å; D110-H113 HydrophobicContact CB-CB 4.01Å; D110-H113 WeakPolarHBondContact O-CA 3.41Å; D110-H113 VanDerWaalsContact O-CB 3.24Å; D110-H113 WeakPolarHBondContact O-CB 3.12Å; D110-H113 PolarHBondContact O-N 3.14Å; D110-I114 PolarHBondContact O-N 3.44Å
111	Y	75.5	Confident	68.5	Low	72 Å²	72	79.3 Å²	79.3	28%	0.282	45%	0.449	S	S	.	.	H	α-helix	trans	-51.2	-35.3	174	166.8	-108.6	0	0	0	112.6	H113 I114 K115 I493 E496 I497	Y111-H113 VanDerWaalsContact C-N 3.26Å; Y111-H113 PolarHBondContact O-N 2.93Å; Y111-I114 PolarHBondContact O-N 2.81Å; Y111-K115 HydrophobicContact CD1-CD 4.35Å; Y111-K115 HydrophobicContact CE1-CD 3.64Å; Y111-K115 HydrophobicContact CE1-CG 4.41Å; Y111-K115 HydrophobicContact CE2-CD 4.04Å; Y111-K115 HydrophobicContact CE2-CG 4.08Å; Y111-K115 PolarHBondContact O-N 3.33Å; Y111-K115 VanDerWaalsContact O-N 3.09Å; Y111-K115 WeakPolarHBondContact OH-CE 3.33Å; Y111-K115 PolarHBondContact OH-NZ 3.03Å; Y111-I493 HydrophobicContact CD2-CD1 3.6Å; Y111-I493 HydrophobicContact CD2-CG1 3.41Å; Y111-I493 VanDerWaalsContact CD2-CG1 3.41Å; Y111-I493 HydrophobicContact CE1-CD1 4.02Å; Y111-I493 HydrophobicContact CE2-CD1 3Å; Y111-I493 HydrophobicContact CE2-CG1 3.25Å; Y111-I493 HydrophobicContact CG-CD1 4.28Å; Y111-I493 HydrophobicContact CG-CG1 4.28Å; Y111-I493 VanDerWaalsContact OH-CD1 3.22Å; Y111-I493 WeakPolarHBondContact OH-CD1 3.32Å; Y111-E496 VanDerWaalsContact OH-CD 3.27Å; Y111-E496 PolarHBondContact OH-OE1 3.2Å; Y111-E496 PolarHBondContact OH-OE2 3.1Å; Y111-I497 HydrophobicContact CD2-CD1 3.96Å; Y111-I497 HydrophobicContact CD2-CG1 4.44Å; Y111-I497 HydrophobicContact CE2-CD1 4Å; Y111-I497 HydrophobicContact CE2-CG1 4.01Å
112	A	82	Confident	71.1	Confident	48 Å²	48	78 Å²	78	40%	0.397	44%	0.443	S	S	.	.	H	α-helix	trans	-62.6	-37.5	176.4	0	0	0	0	0	111.2	D110 K115 L116	D110-A112 PolarHBondContact O-N 3.34Å; D110-A112 VanDerWaalsContact O-N 3.15Å; D110-A112 VanDerWaalsContact OD1-CB 3.27Å; D110-A112 WeakPolarHBondContact OD1-CB 3.07Å; D110-A112 PolarHBondContact OD1-N 3.22Å; A112-K115 PolarHBondContact O-N 3.09Å; A112-L116 WeakPolarHBondContact O-CG 3.08Å; A112-L116 PolarHBondContact O-N 3.43Å; A112-L116 VanDerWaalsContact O-N 3.1Å
113	H	88.9	Confident	74.3	Confident	88 Å²	88	77.7 Å²	77.7	41%	0.407	44%	0.435	S	S	.	.	H	α-helix	trans	-64.6	-46.9	176.1	-179.1	71.6	0	0	0	111.9	D110 Y111 K115 L116 V117 Q386	D110-H113 HydrophobicContact CB-CB 4.01Å; D110-H113 WeakPolarHBondContact O-CA 3.41Å; D110-H113 VanDerWaalsContact O-CB 3.24Å; D110-H113 WeakPolarHBondContact O-CB 3.12Å; D110-H113 PolarHBondContact O-N 3.14Å; Y111-H113 VanDerWaalsContact C-N 3.26Å; Y111-H113 PolarHBondContact O-N 2.93Å; H113-K115 VanDerWaalsContact C-N 3.27Å; H113-K115 PolarHBondContact O-N 3.36Å; H113-L116 WeakPolarHBondContact O-CA 3.41Å; H113-L116 WeakPolarHBondContact O-CB 3.49Å; H113-L116 PolarHBondContact O-N 3.48Å; H113-V117 WeakPolarHBondContact O-CG2 3.31Å; H113-V117 PolarHBondContact O-N 3.46Å; H113-Q386 PolarHBondContact NE2-NE2 3.42Å
114	I	90.9	Very high	76.7	Confident	5 Å²	5	75.2 Å²	75.2	3%	0.026	42%	0.424	C	S	.	.	H	α-helix	trans	-62.6	-36.8	178.8	-62.6	156.4	0	0	0	111.2	D110 Y111 L116 V117 V118 S382 L385 I497	D110-I114 PolarHBondContact O-N 3.44Å; Y111-I114 PolarHBondContact O-N 2.81Å; I114-L116 VanDerWaalsContact C-N 3.3Å; I114-L116 PolarHBondContact O-N 3.43Å; I114-V117 WeakPolarHBondContact O-CB 3.44Å; I114-V117 PolarHBondContact O-N 3.15Å; I114-V118 WeakPolarHBondContact O-CG2 3.43Å; I114-V118 PolarHBondContact O-N 3.43Å; I114-S382 WeakPolarHBondContact CD1-OG 3.46Å; I114-L385 HydrophobicContact CG2-CD1 3.99Å; I114-I497 HydrophobicContact CB-CD1 4.46Å; I114-I497 HydrophobicContact CG2-CD1 3.86Å; I114-I497 HydrophobicContact CG2-CG1 4.26Å; I114-I497 HydrophobicContact CG2-CG2 3.79Å
115	K	90.9	Very high	79.5	Confident	83 Å²	83	68.7 Å²	68.7	36%	0.361	39%	0.39	S	S	.	.	H	α-helix	trans	-61.6	-37.7	172.2	-81.2	-170.7	150.4	175.1	0	112.6	Y111 A112 H113 K119 E496	Y111-K115 HydrophobicContact CD1-CD 4.35Å; Y111-K115 HydrophobicContact CE1-CD 3.64Å; Y111-K115 HydrophobicContact CE1-CG 4.41Å; Y111-K115 HydrophobicContact CE2-CD 4.04Å; Y111-K115 HydrophobicContact CE2-CG 4.08Å; Y111-K115 PolarHBondContact O-N 3.33Å; Y111-K115 VanDerWaalsContact O-N 3.09Å; Y111-K115 WeakPolarHBondContact OH-CE 3.33Å; Y111-K115 PolarHBondContact OH-NZ 3.03Å; A112-K115 PolarHBondContact O-N 3.09Å; H113-K115 VanDerWaalsContact C-N 3.27Å; H113-K115 PolarHBondContact O-N 3.36Å; K115-K119 WeakPolarHBondContact O-CB 3.49Å; K115-K119 PolarHBondContact O-N 3.28Å; K115-E496 WeakPolarHBondContact CE-OE1 3.3Å; K115-E496 IonicContact NZ-OE1 3.67Å; K115-E496 PolarHBondContact NZ-OE1 2.93Å
116	L	93.8	Very high	81.7	Confident	109 Å²	109	70.6 Å²	70.6	57%	0.571	40%	0.396	S	S	*	.	H	α-helix	trans	-66.4	-41.4	174.1	-67.9	171.3	0	0	0	111.7	A112 H113 I114 K119 S120	A112-L116 WeakPolarHBondContact O-CG 3.08Å; A112-L116 PolarHBondContact O-N 3.43Å; A112-L116 VanDerWaalsContact O-N 3.1Å; H113-L116 WeakPolarHBondContact O-CA 3.41Å; H113-L116 WeakPolarHBondContact O-CB 3.49Å; H113-L116 PolarHBondContact O-N 3.48Å; I114-L116 VanDerWaalsContact C-N 3.3Å; I114-L116 PolarHBondContact O-N 3.43Å; L116-K119 WeakPolarHBondContact O-CB 3.28Å; L116-K119 PolarHBondContact O-N 3.06Å; L116-S120 WeakPolarHBondContact O-CB 3.49Å; L116-S120 PolarHBondContact O-N 3.1Å
117	V	95.6	Very high	83.9	Confident	3 Å²	3	67.2 Å²	67.2	2%	0.018	37%	0.371	C	S	.	.	H	α-helix	trans	-56.7	-51.1	173.6	172.6	0	0	0	0	110.2	H113 I114 K119 S120 I121 L385 Q386 E389	H113-V117 WeakPolarHBondContact O-CG2 3.31Å; H113-V117 PolarHBondContact O-N 3.46Å; I114-V117 WeakPolarHBondContact O-CB 3.44Å; I114-V117 PolarHBondContact O-N 3.15Å; V117-K119 VanDerWaalsContact C-N 3.33Å; V117-K119 PolarHBondContact O-N 2.87Å; V117-S120 WeakPolarHBondContact O-CB 3.46Å; V117-S120 PolarHBondContact O-N 3.49Å; V117-I121 HydrophobicContact CG1-CD1 3.95Å; V117-I121 VanDerWaalsContact O-CG1 3.31Å; V117-I121 WeakPolarHBondContact O-CG1 3.12Å; V117-I121 PolarHBondContact O-N 3.01Å; V117-L385 HydrophobicContact CG1-CB 4.08Å; V117-Q386 HydrophobicContact CG2-CG 4.23Å; V117-E389 HydrophobicContact CG1-CB 3.93Å; V117-E389 HydrophobicContact CG1-CG 4.41Å; V117-E389 WeakPolarHBondContact CG2-OE2 3.35Å
118	V	96.3	Very high	85.5	Confident	1 Å²	1	69 Å²	69	1%	0.006	36%	0.361	C	S	.	.	H	α-helix	trans	-60.8	-42	177.6	173.5	0	0	0	0	111.6	I114 S120 I121 K122 L385 I497 D500 F501	I114-V118 WeakPolarHBondContact O-CG2 3.43Å; I114-V118 PolarHBondContact O-N 3.43Å; V118-S120 PolarHBondContact O-N 3.15Å; V118-I121 PolarHBondContact O-N 3.17Å; V118-K122 HydrophobicContact CG1-CD 3.77Å; V118-K122 HydrophobicContact CG1-CG 4.31Å; V118-K122 WeakPolarHBondContact O-CB 3.2Å; V118-K122 WeakPolarHBondContact O-CG 3.41Å; V118-K122 PolarHBondContact O-N 3.26Å; V118-L385 HydrophobicContact CG2-CD1 3.98Å; V118-L385 HydrophobicContact CG2-CD2 4.32Å; V118-I497 HydrophobicContact CG2-CG2 4Å; V118-D500 HydrophobicContact CG1-CB 4.13Å; V118-D500 WeakPolarHBondContact CG1-OD2 3.3Å; V118-F501 HydrophobicContact CG1-CB 4.13Å; V118-F501 HydrophobicContact CG2-CB 4.32Å
119	K	95.5	Very high	86.1	Confident	144 Å²	144	68.6 Å²	68.6	63%	0.626	35%	0.354	S	S	*	.	H	α-helix	trans	-61.8	-42.2	176.4	-174.2	179.7	178.8	-177.8	0	112.2	K115 L116 V117 K122 S123	K115-K119 WeakPolarHBondContact O-CB 3.49Å; K115-K119 PolarHBondContact O-N 3.28Å; L116-K119 WeakPolarHBondContact O-CB 3.28Å; L116-K119 PolarHBondContact O-N 3.06Å; V117-K119 VanDerWaalsContact C-N 3.33Å; V117-K119 PolarHBondContact O-N 2.87Å; K119-K122 PolarHBondContact O-N 2.98Å; K119-S123 PolarHBondContact O-N 2.78Å
120	S	96.1	Very high	86.3	Confident	27 Å²	27	73.2 Å²	73.2	19%	0.189	36%	0.36	C	S	.	.	H	α-helix	trans	-63.1	-48.5	176.1	167.7	0	0	0	0	111.3	L116 V117 V118 K122 S123 K124 E389	L116-S120 WeakPolarHBondContact O-CB 3.49Å; L116-S120 PolarHBondContact O-N 3.1Å; V117-S120 WeakPolarHBondContact O-CB 3.46Å; V117-S120 PolarHBondContact O-N 3.49Å; V118-S120 PolarHBondContact O-N 3.15Å; S120-K122 PolarHBondContact O-N 2.94Å; S120-S123 PolarHBondContact O-N 2.96Å; S120-S123 PolarHBondContact O-OG 3.49Å; S120-K124 PolarHBondContact O-N 3.23Å; S120-K124 PolarHBondContact OG-NZ 3.08Å; S120-E389 WeakPolarHBondContact CB-OE1 3.48Å; S120-E389 PolarHBondContact OG-OE1 3.13Å
121	I	96	Very high	86.5	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-53.2	-54	173.2	-67.8	168.5	0	0	0	109.9	V117 V118 S123 K124 V125 L385 F388 E389 L392 F501	V117-I121 HydrophobicContact CG1-CD1 3.95Å; V117-I121 VanDerWaalsContact O-CG1 3.31Å; V117-I121 WeakPolarHBondContact O-CG1 3.12Å; V117-I121 PolarHBondContact O-N 3.01Å; V118-I121 PolarHBondContact O-N 3.17Å; I121-S123 VanDerWaalsContact C-N 3.26Å; I121-S123 PolarHBondContact O-N 3.36Å; I121-K124 CarbonylContact O-C 3.46Å; I121-K124 WeakPolarHBondContact O-CA 3.24Å; I121-K124 PolarHBondContact O-N 2.89Å; I121-V125 HydrophobicContact CG2-CG2 4.33Å; I121-V125 WeakPolarHBondContact O-CG2 3.42Å; I121-V125 PolarHBondContact O-N 3.23Å; I121-L385 HydrophobicContact CD1-CD2 4.02Å; I121-F388 HydrophobicContact CD1-CD1 4.26Å; I121-F388 HydrophobicContact CG2-CD1 4.29Å; I121-F388 HydrophobicContact CG2-CE1 4.23Å; I121-E389 HydrophobicContact CD1-CB 4.13Å; I121-E389 HydrophobicContact CG1-CB 3.83Å; I121-E389 HydrophobicContact CG1-CG 4.17Å; I121-L392 HydrophobicContact CB-CD1 4.2Å; I121-L392 HydrophobicContact CG1-CD1 4.1Å; I121-L392 HydrophobicContact CG2-CD1 3.76Å; I121-F501 HydrophobicContact CD1-CD2 4.25Å; I121-F501 HydrophobicContact CD1-CE2 4.18Å; I121-F501 HydrophobicContact CG2-CD2 4.13Å; I121-F501 HydrophobicContact CG2-CE2 3.92Å
122	K	95.6	Very high	86.1	Confident	68 Å²	68	75 Å²	75	30%	0.296	37%	0.365	S	S	.	.	H	α-helix	trans	-56.5	-38.9	-178.2	-73.6	169	65	178.5	0	112.7	V118 K119 S120 K124 V125 D500 P504	V118-K122 HydrophobicContact CG1-CD 3.77Å; V118-K122 HydrophobicContact CG1-CG 4.31Å; V118-K122 WeakPolarHBondContact O-CB 3.2Å; V118-K122 WeakPolarHBondContact O-CG 3.41Å; V118-K122 PolarHBondContact O-N 3.26Å; K119-K122 PolarHBondContact O-N 2.98Å; S120-K122 PolarHBondContact O-N 2.94Å; K122-K124 PolarHBondContact O-N 2.81Å; K122-V125 PolarHBondContact O-N 2.93Å; K122-D500 WeakPolarHBondContact CD-O 3.47Å; K122-D500 IonicContact NZ-OD1 3.69Å; K122-D500 PolarHBondContact NZ-OD1 3.37Å; K122-D500 IonicContact NZ-OD2 3.93Å; K122-D500 PolarHBondContact NZ-OD2 3.36Å; K122-P504 HydrophobicContact CG-CG 4.16Å
123	S	94.5	Very high	85.6	Confident	94 Å²	94	75.6 Å²	75.6	66%	0.657	37%	0.366	S	S	*	.	H	α-helix	trans	-65.1	-18.7	178	73.9	0	0	0	0	113.9	K119 S120 I121	K119-S123 PolarHBondContact O-N 2.78Å; S120-S123 PolarHBondContact O-N 2.96Å; S120-S123 PolarHBondContact O-OG 3.49Å; I121-S123 VanDerWaalsContact C-N 3.26Å; I121-S123 PolarHBondContact O-N 3.36Å
124	K	92.4	Very high	85.2	Confident	72 Å²	72	72.4 Å²	72.4	31%	0.313	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-0.4	179.5	-63	171.2	-179.3	146.4	0	113.2	S120 I121 K122 E126 L392	S120-K124 PolarHBondContact O-N 3.23Å; S120-K124 PolarHBondContact OG-NZ 3.08Å; I121-K124 CarbonylContact O-C 3.46Å; I121-K124 WeakPolarHBondContact O-CA 3.24Å; I121-K124 PolarHBondContact O-N 2.89Å; K122-K124 PolarHBondContact O-N 2.81Å; K124-E126 PolarHBondContact O-N 3.44Å; K124-L392 HydrophobicContact CD-CB 4.19Å
125	V	90.5	Very high	84.9	Confident	23 Å²	23	76.5 Å²	76.5	14%	0.139	38%	0.376	C	S	.	.			trans	-71.7	104.1	178.3	174.9	0	0	0	0	109	I121 K122 F127 P504 F505	I121-V125 HydrophobicContact CG2-CG2 4.33Å; I121-V125 WeakPolarHBondContact O-CG2 3.42Å; I121-V125 PolarHBondContact O-N 3.23Å; K122-V125 PolarHBondContact O-N 2.93Å; V125-F127 HydrophobicContact CG1-CD2 4.43Å; V125-F127 HydrophobicContact CG1-CE1 4.3Å; V125-F127 HydrophobicContact CG1-CE2 3.65Å; V125-F127 HydrophobicContact CG1-CZ 3.57Å; V125-P504 HydrophobicContact CG1-CB 4.32Å; V125-P504 HydrophobicContact CG2-CG 4.37Å; V125-F505 HydrophobicContact CG1-CD1 4.43Å; V125-F505 HydrophobicContact CG1-CE1 3.9Å; V125-F505 HydrophobicContact CG1-CZ 4.03Å; V125-F505 HydrophobicContact CG2-CE1 4.26Å; V125-F505 HydrophobicContact CG2-CE2 4.01Å; V125-F505 HydrophobicContact CG2-CZ 3.57Å
126	E	89.2	Confident	84.9	Confident	131 Å²	131	77.9 Å²	77.9	61%	0.612	38%	0.379	S	S	*	.			trans	-120.7	131.5	174.4	-66.4	-173.1	170.7	0	0	110.8	K124 M397	K124-E126 PolarHBondContact O-N 3.44Å; E126-M397 WeakPolarHBondContact O-CE 2.99Å
127	F	87.6	Confident	84.8	Confident	50 Å²	50	79.7 Å²	79.7	22%	0.219	38%	0.382	C	S	.	.			trans	-100.9	93.3	173.6	-57.9	-74.7	0	0	0	108.5	V125 M397 V420 F505 K508	V125-F127 HydrophobicContact CG1-CD2 4.43Å; V125-F127 HydrophobicContact CG1-CE1 4.3Å; V125-F127 HydrophobicContact CG1-CE2 3.65Å; V125-F127 HydrophobicContact CG1-CZ 3.57Å; F127-M397 HydrophobicContact CD1-CE 3.95Å; F127-M397 HydrophobicContact CE1-CE 4.05Å; F127-V420 HydrophobicContact CD1-CG1 4.29Å; F127-V420 HydrophobicContact CE1-CG1 3.48Å; F127-V420 VanDerWaalsContact CE1-CG1 3.48Å; F127-V420 HydrophobicContact CZ-CG1 3.99Å; F127-F505 AromaticContact CE1-CD1 3.84Å; F127-F505 HydrophobicContact CE1-CD1 3.84Å; F127-F505 HydrophobicContact CE1-CE1 4.26Å; F127-F505 AromaticContact CZ-CD1 3.73Å; F127-F505 HydrophobicContact CZ-CD1 3.73Å; F127-F505 HydrophobicContact CZ-CE1 4.24Å; F127-F505 HydrophobicContact CZ-CG 4.41Å; F127-K508 HydrophobicContact CB-CD 4.43Å; F127-K508 HydrophobicContact CD1-CG 4.08Å; F127-K508 HydrophobicContact CD2-CB 4.01Å; F127-K508 HydrophobicContact CD2-CD 3.81Å; F127-K508 HydrophobicContact CD2-CG 3.68Å; F127-K508 HydrophobicContact CE1-CB 4.36Å; F127-K508 HydrophobicContact CE1-CG 4.16Å; F127-K508 HydrophobicContact CE2-CB 3.55Å; F127-K508 HydrophobicContact CE2-CD 4.27Å; F127-K508 HydrophobicContact CE2-CG 3.74Å; F127-K508 HydrophobicContact CG-CD 4.08Å; F127-K508 HydrophobicContact CG-CG 3.85Å; F127-K508 HydrophobicContact CZ-CB 3.76Å; F127-K508 HydrophobicContact CZ-CG 3.99Å
128	R	75.4	Confident	84.6	Confident	148 Å²	148	80.5 Å²	80.5	56%	0.558	39%	0.389	S	S	*	.			trans	-65.4	136.9	172.2	-66.7	-174.4	178.9	-176.9	2.7	109.6	E329	R128-E329 IonicContact CZ-OE2 3.91Å; R128-E329 IonicContact NH1-OE1 3.03Å; R128-E329 IonicContact NH1-OE2 3.98Å; R128-E329 PolarHBondContact NH1-OE2 2.95Å
129	N	57.8	Low	84.4	Confident	122 Å²	122	80.5 Å²	80.5	65%	0.652	39%	0.389	S	S	*	.			trans	-90.5	145.1	175.3	-71.9	-27.8	0	0	0	109.8
130	Q	59.3	Low	84.3	Confident	158 Å²	158	77 Å²	77	74%	0.738	38%	0.376	S	S	*	.			trans	74.6	81.6	166.2	-69.7	169.4	-26.2	0	0	117.1
131	R	71.8	Confident	84.1	Confident	50 Å²	50	84.7 Å²	84.7	19%	0.189	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-71.1	128.7	142.5	-174.2	170.9	-170.9	-112	-7	108.4	P333 D338 D425	R131-P333 PolarHBondContact NH2-O 3.06Å; R131-P333 VanDerWaalsContact NH2-O 3.08Å; R131-D338 IonicContact CZ-OD1 3.35Å; R131-D338 IonicContact CZ-OD2 2.62Å; R131-D338 IonicContact NH1-OD1 3.25Å; R131-D338 PolarHBondContact NH1-OD1 3.35Å; R131-D338 IonicContact NH1-OD2 3.67Å; R131-D338 PolarHBondContact NH1-OD2 2.6Å; R131-D338 IonicContact NH2-OD1 2.65Å; R131-D338 IonicContact NH2-OD2 3.71Å; R131-D338 PolarHBondContact NH2-OD2 3.05Å; R131-D425 WeakPolarHBondContact CD-OD1 3.28Å
132	H	68.1	Low	83.8	Confident	150 Å²	150	86.7 Å²	86.7	69%	0.694	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-83.9	142	170.9	-74.6	69.4	0	0	0	109.3	S134	H132-S134 PolarHBondContact O-N 2.88Å
133	C	71.9	Confident	83.6	Confident	62 Å²	62	85 Å²	85	42%	0.419	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-56.4	130	173.6	-177.4	0	0	0	0	109.6
134	S	79.6	Confident	83.6	Confident	21 Å²	21	84.6 Å²	84.6	15%	0.147	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-59.4	142	179.2	-60.2	0	0	0	0	111.4	H132 R136 D338	H132-S134 PolarHBondContact O-N 2.88Å; S134-R136 PolarHBondContact O-N 2.99Å; S134-D338 PolarHBondContact OG-OD2 2.97Å; S134-D338 VanDerWaalsContact OG-OD2 3.04Å
135	D	85.9	Confident	83.7	Confident	90 Å²	90	85.2 Å²	85.2	48%	0.481	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-60.3	126.2	173.4	174.6	11.2	0	0	0	109.9	K137 A138 L139	D135-K137 PolarHBondContact O-N 3.3Å; D135-K137 VanDerWaalsContact O-N 3.12Å; D135-K137 PolarHBondContact OD1-N 2.93Å; D135-A138 HydrophobicContact CB-CB 4.33Å; D135-A138 WeakPolarHBondContact O-CA 3.16Å; D135-A138 VanDerWaalsContact O-CB 3.31Å; D135-A138 WeakPolarHBondContact O-CB 3.4Å; D135-A138 PolarHBondContact O-N 3.16Å; D135-L139 PolarHBondContact O-N 3.32Å; D135-L139 VanDerWaalsContact O-N 3.15Å
136	R	89.3	Confident	84	Confident	113 Å²	113	84.1 Å²	84.1	43%	0.426	40%	0.401	S	S	.	.	H	α-helix	trans	-51.7	-36.3	177.3	-173.8	172.7	-178.3	-90.9	0.2	112.1	S134 A138 L139 M140 A342	S134-R136 PolarHBondContact O-N 2.99Å; R136-A138 VanDerWaalsContact C-N 3.32Å; R136-A138 PolarHBondContact O-N 3.42Å; R136-L139 PolarHBondContact O-N 3.18Å; R136-M140 HydrophobicContact CG-SD 4.32Å; R136-M140 VanDerWaalsContact O-CG 3.29Å; R136-M140 WeakPolarHBondContact O-CG 3.48Å; R136-M140 PolarHBondContact O-N 3.45Å; R136-A342 HydrophobicContact CG-CB 4.41Å
137	K	91.7	Very high	84.3	Confident	146 Å²	146	79 Å²	79	64%	0.635	38%	0.377	S	S	*	.	H	α-helix	trans	-66.7	-33.2	176.8	-65	179.4	179.5	175.8	0	112.6	D135 R141	D135-K137 PolarHBondContact O-N 3.3Å; D135-K137 VanDerWaalsContact O-N 3.12Å; D135-K137 PolarHBondContact OD1-N 2.93Å; K137-R141 WeakPolarHBondContact O-CG 3.41Å; K137-R141 PolarHBondContact O-N 3.42Å; K137-R141 VanDerWaalsContact O-N 3.15Å; K137-R141 PolarHBondContact O-NE 2.91Å
138	A	91.3	Very high	84.7	Confident	21 Å²	21	80.8 Å²	80.8	17%	0.174	40%	0.396	C	S	.	.	H	α-helix	trans	-68.3	-43.7	174.7	0	0	0	0	0	110.9	D135 R136 M140 R141 S142 F334	D135-A138 HydrophobicContact CB-CB 4.33Å; D135-A138 WeakPolarHBondContact O-CA 3.16Å; D135-A138 VanDerWaalsContact O-CB 3.31Å; D135-A138 WeakPolarHBondContact O-CB 3.4Å; D135-A138 PolarHBondContact O-N 3.16Å; R136-A138 VanDerWaalsContact C-N 3.32Å; R136-A138 PolarHBondContact O-N 3.42Å; A138-M140 PolarHBondContact O-N 2.78Å; A138-R141 PolarHBondContact O-N 2.87Å; A138-S142 PolarHBondContact O-N 3.09Å; A138-F334 HydrophobicContact CB-CE1 4.05Å; A138-F334 HydrophobicContact CB-CZ 3.94Å
139	L	92.7	Very high	85.7	Confident	1 Å²	1	75 Å²	75	1%	0.005	38%	0.377	C	S	.	.	H	α-helix	trans	-60.3	-45.3	175	-63	170.8	0	0	0	111.7	D135 R136 R141 S142 D143 F147 F334 D338 F339 A342	D135-L139 PolarHBondContact O-N 3.32Å; D135-L139 VanDerWaalsContact O-N 3.15Å; R136-L139 PolarHBondContact O-N 3.18Å; L139-R141 VanDerWaalsContact C-N 3.3Å; L139-R141 PolarHBondContact O-N 2.75Å; L139-S142 PolarHBondContact O-N 3.25Å; L139-S142 VanDerWaalsContact O-N 3.09Å; L139-S142 PolarHBondContact O-OG 2.88Å; L139-D143 PolarHBondContact O-N 3.29Å; L139-D143 VanDerWaalsContact O-N 3.12Å; L139-F147 HydrophobicContact CB-CE2 4.06Å; L139-F147 HydrophobicContact CB-CZ 3.96Å; L139-F334 HydrophobicContact CD2-CB 4.15Å; L139-F334 HydrophobicContact CD2-CD1 3.43Å; L139-F334 VanDerWaalsContact CD2-CD1 3.43Å; L139-F334 HydrophobicContact CD2-CE1 3.95Å; L139-F334 HydrophobicContact CD2-CG 3.81Å; L139-F334 HydrophobicContact CG-CD1 4.43Å; L139-D338 HydrophobicContact CD1-CB 3.97Å; L139-D338 WeakPolarHBondContact CD1-O 3.45Å; L139-D338 HydrophobicContact CD2-CB 3.88Å; L139-F339 HydrophobicContact CB-CD1 4.28Å; L139-F339 HydrophobicContact CB-CE1 4.12Å; L139-F339 HydrophobicContact CD2-CD1 3.95Å; L139-F339 HydrophobicContact CD2-CD2 4.35Å; L139-F339 HydrophobicContact CD2-CE1 3.71Å; L139-F339 HydrophobicContact CD2-CE2 4.11Å; L139-F339 HydrophobicContact CD2-CG 4.29Å; L139-F339 HydrophobicContact CD2-CZ 3.8Å; L139-A342 HydrophobicContact CD1-CB 3.76Å
140	M	93.1	Very high	87.6	Confident	70 Å²	70	69.4 Å²	69.4	35%	0.345	35%	0.347	S	S	.	.	H	α-helix	trans	-60.6	-37	176.8	-71.2	176.3	72.6	0	0	113.1	R136 A138 S142 D143 P144 F147	R136-M140 HydrophobicContact CG-SD 4.32Å; R136-M140 VanDerWaalsContact O-CG 3.29Å; R136-M140 WeakPolarHBondContact O-CG 3.48Å; R136-M140 PolarHBondContact O-N 3.45Å; A138-M140 PolarHBondContact O-N 2.78Å; M140-S142 VanDerWaalsContact C-N 3.34Å; M140-D143 CarbonylContact O-C 3.57Å; M140-P144 WeakPolarHBondContact O-CA 3.25Å; M140-P144 VanDerWaalsContact O-N 3.12Å; M140-F147 HydrophobicContact CB-CD2 4.2Å; M140-F147 HydrophobicContact CB-CG 4.43Å; M140-F147 HydrophobicContact CE-CB 4.49Å; M140-F147 HydrophobicContact CG-CB 4.12Å; M140-F147 HydrophobicContact CG-CD1 3.87Å; M140-F147 HydrophobicContact CG-CD2 3.83Å; M140-F147 HydrophobicContact CG-CE1 4.2Å; M140-F147 HydrophobicContact CG-CE2 4.17Å; M140-F147 HydrophobicContact CG-CG 3.68Å; M140-F147 HydrophobicContact CG-CZ 4.35Å
141	R	92.3	Very high	89.3	Confident	189 Å²	189	63.6 Å²	63.6	71%	0.713	32%	0.322	S	S	*	.	H	α-helix	trans	-69.9	-32.6	175.1	-74.8	-178.3	-68.1	-170	1.7	112.5	K137 A138 L139	K137-R141 WeakPolarHBondContact O-CG 3.41Å; K137-R141 PolarHBondContact O-N 3.42Å; K137-R141 VanDerWaalsContact O-N 3.15Å; K137-R141 PolarHBondContact O-NE 2.91Å; A138-R141 PolarHBondContact O-N 2.87Å; L139-R141 VanDerWaalsContact C-N 3.3Å; L139-R141 PolarHBondContact O-N 2.75Å
142	S	89.6	Confident	90.3	Very high	42 Å²	42	65.7 Å²	65.7	29%	0.294	34%	0.343	S	S	.	.	H	α-helix	trans	-73.3	-30.1	179.2	71.8	0	0	0	0	113.4	A138 L139 M140 F339	A138-S142 PolarHBondContact O-N 3.09Å; L139-S142 PolarHBondContact O-N 3.25Å; L139-S142 VanDerWaalsContact O-N 3.09Å; L139-S142 PolarHBondContact O-OG 2.88Å; M140-S142 VanDerWaalsContact C-N 3.34Å; S142-F339 VanDerWaalsContact OG-CE1 3.32Å; S142-F339 WeakPolarHBondContact OG-CE1 3.28Å; S142-F339 WeakPolarHBondContact OG-CZ 3.15Å
143	D	91.5	Very high	91.5	Very high	31 Å²	31	64.7 Å²	64.7	17%	0.166	34%	0.342	C	S	.	.			trans	-144.3	70.4	178.8	-163.1	-24.5	0	0	0	111.7	L139 M140 H145 M146 F147 R257 F339	L139-D143 PolarHBondContact O-N 3.29Å; L139-D143 VanDerWaalsContact O-N 3.12Å; M140-D143 CarbonylContact O-C 3.57Å; D143-H145 PolarHBondContact O-N 2.72Å; D143-M146 HydrophobicContact CB-CB 4.31Å; D143-M146 HydrophobicContact CB-CE 4.29Å; D143-M146 PolarHBondContact O-N 3.21Å; D143-M146 WeakPolarHBondContact OD1-CB 3.48Å; D143-M146 PolarHBondContact OD1-N 3.29Å; D143-F147 VanDerWaalsContact O-CD2 3.29Å; D143-F147 WeakPolarHBondContact O-CD2 3.29Å; D143-R257 IonicContact OD2-CZ 3.93Å; D143-R257 VanDerWaalsContact OD2-CZ 3.23Å; D143-R257 IonicContact OD2-NE 2.77Å; D143-R257 PolarHBondContact OD2-NE 3.3Å; D143-R257 IonicContact OD2-NH2 3.65Å; D143-R257 PolarHBondContact OD2-NH2 2.9Å; D143-F339 HydrophobicContact CB-CE1 4.38Å
144	P	94.7	Very high	92.7	Very high	87 Å²	87	64.5 Å²	64.5	57%	0.565	34%	0.335	S	S	*	.	H	α-helix	trans	-64.1	-31.5	-174.2	25	-34.3	0	0	0	112.7	M140 F147 S148	M140-P144 WeakPolarHBondContact O-CA 3.25Å; M140-P144 VanDerWaalsContact O-N 3.12Å; P144-F147 PolarHBondContact O-N 2.82Å; P144-S148 WeakPolarHBondContact O-CB 3.44Å; P144-S148 PolarHBondContact O-N 2.83Å
145	H	95.3	Very high	93.4	Very high	84 Å²	84	65.9 Å²	65.9	39%	0.389	34%	0.34	S	S	.	.	H	α-helix	trans	-62.2	-49.8	179.7	-174.1	60.4	0	0	0	111	D143 F147 S148 V149 E274	D143-H145 PolarHBondContact O-N 2.72Å; H145-F147 VanDerWaalsContact C-N 3.33Å; H145-F147 PolarHBondContact O-N 3.45Å; H145-S148 PolarHBondContact O-N 2.79Å; H145-S148 PolarHBondContact O-OG 2.77Å; H145-V149 WeakPolarHBondContact O-CG2 3.46Å; H145-V149 PolarHBondContact O-N 2.83Å; H145-V149 VanDerWaalsContact O-N 3.09Å; H145-E274 IonicContact CD2-OE2 3.74Å; H145-E274 IonicContact CE1-OE1 3.95Å; H145-E274 PolarHBondContact CE1-OE1 2.86Å; H145-E274 IonicContact CE1-OE2 2.67Å; H145-E274 VanDerWaalsContact NE2-CD 3.28Å; H145-E274 IonicContact NE2-OE1 2.96Å; H145-E274 PolarHBondContact NE2-OE1 2.63Å; H145-E274 IonicContact NE2-OE2 2.75Å; H145-E274 PolarHBondContact NE2-OE2 3.23Å
146	M	95.6	Very high	93.6	Very high	1 Å²	1	67.4 Å²	67.4	1%	0.005	36%	0.355	C	S	.	.	H	α-helix	trans	-56.8	-44.7	179.7	-176.5	-179	65	0	0	112.6	D143 S148 V149 I150 W252 W253 V273 F339 L343	D143-M146 HydrophobicContact CB-CB 4.31Å; D143-M146 HydrophobicContact CB-CE 4.29Å; D143-M146 PolarHBondContact O-N 3.21Å; D143-M146 WeakPolarHBondContact OD1-CB 3.48Å; D143-M146 PolarHBondContact OD1-N 3.29Å; M146-S148 VanDerWaalsContact C-N 3.28Å; M146-S148 PolarHBondContact O-N 3.36Å; M146-V149 PolarHBondContact O-N 2.97Å; M146-I150 HydrophobicContact CG-CD1 4.2Å; M146-I150 PolarHBondContact O-N 3.4Å; M146-I150 VanDerWaalsContact O-N 3.13Å; M146-W252 HydrophobicContact CG-CH2 4.09Å; M146-W252 HydrophobicContact SD-CH2 3.61Å; M146-W252 HydrophobicContact SD-CZ3 4.18Å; M146-W253 HydrophobicContact SD-CH2 4.3Å; M146-W253 HydrophobicContact SD-CZ3 3.98Å; M146-V273 HydrophobicContact CG-CG2 4.24Å; M146-F339 HydrophobicContact CE-CB 4.19Å; M146-F339 HydrophobicContact CE-CD1 3.5Å; M146-F339 HydrophobicContact CE-CE1 4.26Å; M146-F339 HydrophobicContact CE-CG 4.2Å; M146-L343 HydrophobicContact CE-CD1 3.8Å; M146-L343 HydrophobicContact CG-CD1 4.07Å; M146-L343 HydrophobicContact SD-CD1 3.75Å
147	F	96.1	Very high	93.5	Very high	24 Å²	24	64.1 Å²	64.1	11%	0.105	36%	0.356	C	S	.	.	H	α-helix	trans	-76.2	-11.9	178.7	-71.1	-81.9	0	0	0	114	L139 M140 D143 P144 H145 F339 A342 L343	L139-F147 HydrophobicContact CB-CE2 4.06Å; L139-F147 HydrophobicContact CB-CZ 3.96Å; M140-F147 HydrophobicContact CB-CD2 4.2Å; M140-F147 HydrophobicContact CB-CG 4.43Å; M140-F147 HydrophobicContact CE-CB 4.49Å; M140-F147 HydrophobicContact CG-CB 4.12Å; M140-F147 HydrophobicContact CG-CD1 3.87Å; M140-F147 HydrophobicContact CG-CD2 3.83Å; M140-F147 HydrophobicContact CG-CE1 4.2Å; M140-F147 HydrophobicContact CG-CE2 4.17Å; M140-F147 HydrophobicContact CG-CG 3.68Å; M140-F147 HydrophobicContact CG-CZ 4.35Å; D143-F147 VanDerWaalsContact O-CD2 3.29Å; D143-F147 WeakPolarHBondContact O-CD2 3.29Å; P144-F147 PolarHBondContact O-N 2.82Å; H145-F147 VanDerWaalsContact C-N 3.33Å; H145-F147 PolarHBondContact O-N 3.45Å; F147-F339 HydrophobicContact CE2-CD1 4.2Å; F147-F339 HydrophobicContact CZ-CD1 4.37Å; F147-A342 HydrophobicContact CE1-CB 3.88Å; F147-A342 HydrophobicContact CZ-CB 3.92Å; F147-L343 HydrophobicContact CD1-CD2 3.59Å; F147-L343 HydrophobicContact CD1-CG 4.36Å; F147-L343 HydrophobicContact CE1-CD2 3.61Å; F147-L343 HydrophobicContact CE1-CG 3.89Å; F147-L343 HydrophobicContact CG-CD2 4.45Å; F147-L343 HydrophobicContact CZ-CD2 4.5Å; F147-L343 HydrophobicContact CZ-CG 4.44Å
148	S	96	Very high	93.5	Very high	87 Å²	87	58.3 Å²	58.3	61%	0.608	33%	0.332	S	S	*	.	H	α-helix	trans	-86.6	-31.5	173	77.3	0	0	0	0	112.6	P144 H145 M146	P144-S148 WeakPolarHBondContact O-CB 3.44Å; P144-S148 PolarHBondContact O-N 2.83Å; H145-S148 PolarHBondContact O-N 2.79Å; H145-S148 PolarHBondContact O-OG 2.77Å; M146-S148 VanDerWaalsContact C-N 3.28Å; M146-S148 PolarHBondContact O-N 3.36Å
149	V	96.2	Very high	93.6	Very high	26 Å²	26	60.3 Å²	60.3	16%	0.158	34%	0.337	C	S	.	.	H	α-helix	trans	-82.4	-41.4	-179.8	175.4	0	0	0	0	111.5	H145 M146 V273 E274 L277	H145-V149 WeakPolarHBondContact O-CG2 3.46Å; H145-V149 PolarHBondContact O-N 2.83Å; H145-V149 VanDerWaalsContact O-N 3.09Å; M146-V149 PolarHBondContact O-N 2.97Å; V149-V273 HydrophobicContact CB-CG1 3.67Å; V149-V273 HydrophobicContact CG1-CG1 3.8Å; V149-V273 HydrophobicContact CG2-CG1 3.73Å; V149-E274 HydrophobicContact CG1-CG 4.24Å; V149-E274 WeakPolarHBondContact CG2-OE1 3.17Å; V149-L277 HydrophobicContact CG1-CD1 3.77Å
150	I	97.2	Very high	93.7	Very high	4 Å²	4	60.3 Å²	60.3	2%	0.021	34%	0.337	C	S	.	.	S	Bend	trans	-90.7	118.1	-179.9	-60.4	171.6	0	0	0	109	M146 F154 W163 L216 V273 L343	M146-I150 HydrophobicContact CG-CD1 4.2Å; M146-I150 PolarHBondContact O-N 3.4Å; M146-I150 VanDerWaalsContact O-N 3.13Å; I150-F154 HydrophobicContact CG2-CE1 4.31Å; I150-F154 HydrophobicContact CG2-CZ 4.23Å; I150-W163 HydrophobicContact CG1-CH2 4.37Å; I150-W163 HydrophobicContact CG2-CH2 4.43Å; I150-L216 HydrophobicContact CD1-CD1 4.39Å; I150-L216 HydrophobicContact CD1-CD2 4.21Å; I150-L216 HydrophobicContact CG2-CD1 3.78Å; I150-V273 HydrophobicContact CD1-CG2 3.83Å; I150-V273 HydrophobicContact CG1-CG2 4.22Å; I150-L343 HydrophobicContact CB-CD2 4.02Å; I150-L343 HydrophobicContact CD1-CD1 3.91Å; I150-L343 HydrophobicContact CD1-CD2 4.3Å; I150-L343 HydrophobicContact CG2-CD2 3.91Å
151	P	95.8	Very high	93.9	Very high	36 Å²	36	58 Å²	58	23%	0.234	33%	0.327	C	S	.	.			trans	-71.5	156.5	-179.5	31.1	-35.6	0	0	0	111.5	N153 F154 W163	P151-N153 VanDerWaalsContact C-N 3.29Å; P151-N153 PolarHBondContact O-N 2.98Å; P151-F154 HydrophobicContact CG-CE1 4.46Å; P151-W163 HydrophobicContact CG-CB 3.84Å; P151-W163 HydrophobicContact CG-CD2 3.61Å; P151-W163 HydrophobicContact CG-CE3 4.18Å; P151-W163 HydrophobicContact CG-CG 3.44Å; P151-W163 VanDerWaalsContact CG-CG 3.44Å
152	P	92.6	Very high	94.1	Very high	94 Å²	94	49 Å²	49	61%	0.61	29%	0.293	S	S	*	.	S	Bend	trans	-76.3	-15.9	178.1	31.3	-36	0	0	0	113.7
153	N	93.8	Very high	94.5	Very high	129 Å²	129	48 Å²	48	69%	0.69	28%	0.283	S	S	*	.			trans	-124.2	139.8	-176.5	-62.9	-52.6	0	0	0	110.1	P151	P151-N153 VanDerWaalsContact C-N 3.29Å; P151-N153 PolarHBondContact O-N 2.98Å
154	F	96.3	Very high	94.7	Very high	59 Å²	59	49.2 Å²	49.2	26%	0.259	29%	0.286	S	S	.	.			trans	-116	162.3	-178.7	-56.1	-69.6	0	0	0	111.4	I150 P151 P161 C162 W163 L216 L343	I150-F154 HydrophobicContact CG2-CE1 4.31Å; I150-F154 HydrophobicContact CG2-CZ 4.23Å; P151-F154 HydrophobicContact CG-CE1 4.46Å; F154-P161 HydrophobicContact CB-CB 4.33Å; F154-P161 HydrophobicContact CD1-CB 3.64Å; F154-P161 HydrophobicContact CD2-CB 3.62Å; F154-P161 HydrophobicContact CE1-CB 3.74Å; F154-P161 HydrophobicContact CE2-CB 3.72Å; F154-P161 HydrophobicContact CG-CB 3.58Å; F154-P161 HydrophobicContact CZ-CB 3.78Å; F154-C162 CarbonylContact C-O 3.47Å; F154-C162 WeakPolarHBondContact CA-O 3.45Å; F154-W163 AromaticContact CD1-CE3 3.9Å; F154-W163 HydrophobicContact CD1-CE3 3.9Å; F154-W163 HydrophobicContact CD1-CZ3 4.45Å; F154-W163 AromaticContact CE1-CE3 3.82Å; F154-W163 HydrophobicContact CE1-CE3 3.82Å; F154-W163 AromaticContact CE1-CZ3 3.98Å; F154-W163 HydrophobicContact CE1-CZ3 3.98Å; F154-L216 HydrophobicContact CE1-CD1 4.1Å; F154-L216 HydrophobicContact CZ-CD1 3.98Å; F154-L343 WeakPolarHBondContact CE2-O 3.46Å
155	L	94.1	Very high	94.7	Very high	49 Å²	49	47.3 Å²	47.3	26%	0.257	27%	0.269	S	S	.	.			trans	-62	131.7	178	-67.3	170.2	0	0	0	110.7	I158 C162 Y164 M213	L155-I158 HydrophobicContact CB-CD1 3.84Å; L155-I158 HydrophobicContact CD1-CD1 4.04Å; L155-C162 HydrophobicContact CD1-CB 4.32Å; L155-C162 WeakPolarHBondContact CG-O 3.34Å; L155-C162 PolarHBondContact N-O 2.87Å; L155-Y164 HydrophobicContact CD1-CD2 4.03Å; L155-Y164 HydrophobicContact CD1-CE2 3.74Å; L155-Y164 HydrophobicContact CD2-CD2 4.03Å; L155-Y164 HydrophobicContact CD2-CE2 3.97Å; L155-M213 HydrophobicContact CD1-CE 3.9Å
156	P	91.6	Very high	94.6	Very high	123 Å²	123	48.3 Å²	48.3	80%	0.799	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	156	178.7	31.6	-35.5	0	0	0	111.6	I158	P156-I158 VanDerWaalsContact C-N 3.27Å; P156-I158 PolarHBondContact O-N 3.23Å
157	G	87	Confident	94.4	Very high	44 Å²	44	49.4 Å²	49.4	45%	0.454	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.1	11.6	173.9	0	0	0	0	0	115.2	H301	G157-H301 PolarHBondContact O-ND1 3.31Å
158	I	91.3	Very high	93.9	Very high	23 Å²	23	54.2 Å²	54.2	12%	0.118	31%	0.31	C	S	.	.			trans	-118.4	133.7	172.3	-52.9	174.3	0	0	0	107.1	L155 P156 N160 C162 M213 I287 L291	L155-I158 HydrophobicContact CB-CD1 3.84Å; L155-I158 HydrophobicContact CD1-CD1 4.04Å; P156-I158 VanDerWaalsContact C-N 3.27Å; P156-I158 PolarHBondContact O-N 3.23Å; I158-N160 VanDerWaalsContact C-N 3.33Å; I158-N160 HydrophobicContact CG2-CB 4.18Å; I158-C162 HydrophobicContact CD1-CB 4.32Å; I158-M213 HydrophobicContact CD1-CE 4.49Å; I158-I287 HydrophobicContact CG2-CG2 3.94Å; I158-L291 HydrophobicContact CD1-CD1 3.64Å; I158-L291 HydrophobicContact CG1-CD1 4.23Å; I158-L291 HydrophobicContact CG1-CD2 4.41Å
159	K	92.4	Very high	93	Very high	63 Å²	63	51.6 Å²	51.6	27%	0.274	30%	0.297	S	S	.	.	S	Bend	trans	-63.1	-42.5	177.5	-71.3	-177	180	176.2	0	111.4	Y218 I305 N459	K159-Y218 HydrophobicContact CB-CD2 4.07Å; K159-Y218 HydrophobicContact CB-CE2 4.07Å; K159-Y218 WeakPolarHBondContact O-CD2 3.43Å; K159-I305 HydrophobicContact CB-CG2 3.97Å; K159-I305 HydrophobicContact CD-CG2 3.52Å; K159-I305 HydrophobicContact CG-CG2 4.4Å; K159-N459 PolarHBondContact NZ-O 3.19Å
160	N	95.8	Very high	92.3	Very high	2 Å²	2	55 Å²	55	1%	0.011	31%	0.314	C	S	.	.	S	Bend	trans	-71.4	140.8	176.6	-77.9	87.8	0	0	0	112.8	I158 C162 L216 Y218 I287 V304 I305 I306	I158-N160 VanDerWaalsContact C-N 3.33Å; I158-N160 HydrophobicContact CG2-CB 4.18Å; N160-C162 VanDerWaalsContact CB-SG 3.51Å; N160-C162 PolarHBondContact O-N 2.82Å; N160-L216 PolarHBondContact ND2-O 2.82Å; N160-Y218 PolarHBondContact ND2-N 2.8Å; N160-Y218 VanDerWaalsContact ND2-N 3.16Å; N160-I287 HydrophobicContact CB-CD1 4.16Å; N160-V304 PolarHBondContact OD1-O 2.98Å; N160-I305 VanDerWaalsContact OD1-CA 3.28Å; N160-I305 WeakPolarHBondContact OD1-CA 3.35Å; N160-I306 WeakPolarHBondContact ND2-CB 3.36Å; N160-I306 WeakPolarHBondContact ND2-CG1 3.48Å; N160-I306 PolarHBondContact ND2-N 2.85Å; N160-I306 PolarHBondContact OD1-N 3.06Å; N160-I306 VanDerWaalsContact OD1-N 3.14Å
161	P	96.6	Very high	91.5	Very high	22 Å²	22	59 Å²	59	14%	0.143	34%	0.335	C	S	.	.			trans	-68.3	94.7	168.7	-11.8	26.2	0	0	0	110	F154 C215 L216 Q344	F154-P161 HydrophobicContact CB-CB 4.33Å; F154-P161 HydrophobicContact CD1-CB 3.64Å; F154-P161 HydrophobicContact CD2-CB 3.62Å; F154-P161 HydrophobicContact CE1-CB 3.74Å; F154-P161 HydrophobicContact CE2-CB 3.72Å; F154-P161 HydrophobicContact CG-CB 3.58Å; F154-P161 HydrophobicContact CZ-CB 3.78Å; P161-C215 CarbonylContact O-C 3.57Å; P161-C215 WeakPolarHBondContact O-CA 3.28Å; P161-L216 HydrophobicContact CB-CB 4.21Å; P161-L216 HydrophobicContact CG-CB 4.26Å; P161-L216 PolarHBondContact O-N 3.45Å; P161-Q344 HydrophobicContact CG-CG 4.33Å
162	C	97.2	Very high	90.7	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	152.8	-177.1	-60.3	0	0	0	0	112.4	F154 L155 I158 N160 M213 R214 C215	F154-C162 CarbonylContact C-O 3.47Å; F154-C162 WeakPolarHBondContact CA-O 3.45Å; L155-C162 HydrophobicContact CD1-CB 4.32Å; L155-C162 WeakPolarHBondContact CG-O 3.34Å; L155-C162 PolarHBondContact N-O 2.87Å; I158-C162 HydrophobicContact CD1-CB 4.32Å; N160-C162 VanDerWaalsContact CB-SG 3.51Å; N160-C162 PolarHBondContact O-N 2.82Å; C162-M213 HydrophobicContact CB-CG 4.35Å; C162-M213 HydrophobicContact CB-SD 4.35Å; C162-R214 CarbonylContact C-O 3.56Å; C162-R214 WeakPolarHBondContact CA-O 3.38Å; C162-R214 WeakPolarHBondContact CB-O 3.23Å; C162-C215 HydrophobicContact CB-CB 4.13Å; C162-C215 WeakPolarHBondContact CB-SG 3.36Å; C162-C215 WeakPolarHBondContact SG-CB 3.31Å; C162-C215 CovalentContact SG-SG 2.04Å; C162-C215 PolarHBondContact SG-SG 3.4Å
163	W	96.9	Very high	90.3	Very high	21 Å²	21	61.7 Å²	61.7	8%	0.08	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	165.6	174.5	69.4	103.1	0	0	0	111.2	I150 P151 F154 M213 R214 L216 L277	I150-W163 HydrophobicContact CG1-CH2 4.37Å; I150-W163 HydrophobicContact CG2-CH2 4.43Å; P151-W163 HydrophobicContact CG-CB 3.84Å; P151-W163 HydrophobicContact CG-CD2 3.61Å; P151-W163 HydrophobicContact CG-CE3 4.18Å; P151-W163 HydrophobicContact CG-CG 3.44Å; P151-W163 VanDerWaalsContact CG-CG 3.44Å; F154-W163 AromaticContact CD1-CE3 3.9Å; F154-W163 HydrophobicContact CD1-CE3 3.9Å; F154-W163 HydrophobicContact CD1-CZ3 4.45Å; F154-W163 AromaticContact CE1-CE3 3.82Å; F154-W163 HydrophobicContact CE1-CE3 3.82Å; F154-W163 AromaticContact CE1-CZ3 3.98Å; F154-W163 HydrophobicContact CE1-CZ3 3.98Å; W163-M213 WeakPolarHBondContact O-CA 3.46Å; W163-R214 HydrophobicContact CD2-CB 3.86Å; W163-R214 HydrophobicContact CE3-CB 4.15Å; W163-R214 HydrophobicContact CH2-CB 3.87Å; W163-R214 HydrophobicContact CZ2-CB 3.55Å; W163-R214 HydrophobicContact CZ2-CG 4.18Å; W163-R214 HydrophobicContact CZ3-CB 4.15Å; W163-R214 PolarHBondContact N-O 2.74Å; W163-R214 PolarHBondContact O-N 2.88Å; W163-L216 HydrophobicContact CH2-CG 4.27Å; W163-L216 HydrophobicContact CZ3-CD1 4.21Å; W163-L216 HydrophobicContact CZ3-CG 3.98Å; W163-L277 HydrophobicContact CH2-CD1 4.08Å; W163-L277 HydrophobicContact CH2-CD2 3.79Å; W163-L277 HydrophobicContact CZ2-CD1 3.93Å; W163-L277 HydrophobicContact CZ2-CD2 4.46Å
164	Y	95.6	Very high	90	Very high	56 Å²	56	57.4 Å²	57.4	22%	0.22	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	127.3	170.4	-67.2	-63.6	0	0	0	110	L155 L204 M213	L155-Y164 HydrophobicContact CD1-CD2 4.03Å; L155-Y164 HydrophobicContact CD1-CE2 3.74Å; L155-Y164 HydrophobicContact CD2-CD2 4.03Å; L155-Y164 HydrophobicContact CD2-CE2 3.97Å; Y164-L204 HydrophobicContact CD1-CD1 4.12Å; Y164-L204 HydrophobicContact CE1-CD1 3.31Å; Y164-M213 HydrophobicContact CD1-CB 4.24Å; Y164-M213 HydrophobicContact CE1-CB 4.07Å; Y164-M213 HydrophobicContact CE1-CE 3.57Å; Y164-M213 WeakPolarHBondContact OH-CE 3.46Å
165	E	94.7	Very high	89.7	Confident	46 Å²	46	56 Å²	56	22%	0.215	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	129.5	173.6	-173.3	-172	-177.7	0	0	108.7	F167 Y211 R212 R214	E165-F167 PolarHBondContact O-N 2.8Å; E165-Y211 CarbonylContact O-C 3.56Å; E165-Y211 VanDerWaalsContact O-CA 3.3Å; E165-Y211 WeakPolarHBondContact O-CA 3.44Å; E165-R212 HydrophobicContact CB-CG 4.08Å; E165-R212 PolarHBondContact N-O 3.46Å; E165-R212 PolarHBondContact O-N 3.09Å; E165-R212 IonicContact OE1-CZ 3.06Å; E165-R212 IonicContact OE1-NE 3.55Å; E165-R212 IonicContact OE1-NH2 3.79Å; E165-R212 PolarHBondContact OE1-NH2 3.28Å; E165-R212 IonicContact OE2-CZ 3.23Å; E165-R212 IonicContact OE2-NE 2.94Å; E165-R212 PolarHBondContact OE2-NE 2.77Å; E165-R212 IonicContact OE2-NH2 2.71Å; E165-R212 PolarHBondContact OE2-NH2 2.85Å; E165-R214 HydrophobicContact CB-CG 3.99Å; E165-R214 WeakPolarHBondContact OE2-CG 3.39Å; E165-R214 IonicContact OE2-CZ 2.92Å; E165-R214 IonicContact OE2-NE 3.92Å; E165-R214 PolarHBondContact OE2-NE 3.49Å; E165-R214 IonicContact OE2-NH2 2.85Å
166	E	93.8	Very high	89.6	Confident	105 Å²	105	54 Å²	54	49%	0.491	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	130.1	175.8	-178.2	172.1	173.5	0	0	110.5	T168 T209 Y211	E166-T168 HydrophobicContact CG-CG2 3.98Å; E166-T209 HydrophobicContact CG-CG2 3.55Å; E166-T209 WeakPolarHBondContact OE1-CG2 3.22Å; E166-Y211 HydrophobicContact CB-CD1 4.23Å; E166-Y211 HydrophobicContact CB-CE1 3.95Å; E166-Y211 HydrophobicContact CG-CE1 4.43Å
167	F	90.9	Very high	89.5	Confident	24 Å²	24	55.6 Å²	55.6	11%	0.105	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	103.3	175.5	-177.5	-103.8	0	0	0	109.8	E165 G169 F199 L203 L210	E165-F167 PolarHBondContact O-N 2.8Å; F167-G169 WeakPolarHBondContact CE1-O 3.41Å; F167-F199 HydrophobicContact CD2-CE1 4.08Å; F167-F199 AromaticContact CD2-CZ 3.89Å; F167-F199 HydrophobicContact CD2-CZ 3.89Å; F167-F199 HydrophobicContact CE1-CE1 4.17Å; F167-F199 AromaticContact CE2-CE1 3.61Å; F167-F199 HydrophobicContact CE2-CE1 3.61Å; F167-F199 AromaticContact CE2-CZ 3.75Å; F167-F199 HydrophobicContact CE2-CZ 3.75Å; F167-F199 AromaticContact CZ-CE1 3.67Å; F167-F199 HydrophobicContact CZ-CE1 3.67Å; F167-F199 HydrophobicContact CZ-CZ 4.28Å; F167-L203 HydrophobicContact CB-CD2 3.94Å; F167-L203 HydrophobicContact CD1-CD1 3.95Å; F167-L203 HydrophobicContact CD1-CD2 4.12Å; F167-L203 HydrophobicContact CE1-CD1 4.19Å; F167-L203 HydrophobicContact CG-CD2 3.95Å; F167-L210 HydrophobicContact CB-CB 4.2Å; F167-L210 HydrophobicContact CD1-CB 4.37Å; F167-L210 HydrophobicContact CD1-CD1 4.34Å; F167-L210 PolarHBondContact N-O 3.11Å
168	T	85.2	Confident	89.6	Confident	125 Å²	125	58.3 Å²	58.3	77%	0.767	31%	0.314	S	S	*	.			trans	-93.6	-3.7	179.9	56.3	0	0	0	0	113.5	E166	E166-T168 HydrophobicContact CG-CG2 3.98Å
169	G	78.9	Confident	89.6	Confident	33 Å²	33	57.2 Å²	57.2	34%	0.34	31%	0.309	S	S	.	.	S	Bend	trans	-75.7	164.7	-179.6	0	0	0	0	0	113.6	F167	F167-G169 WeakPolarHBondContact CE1-O 3.41Å
170	N	81.4	Confident	89.5	Confident	97 Å²	97	54.9 Å²	54.9	52%	0.519	30%	0.299	S	S	.	.			trans	-73.2	128.8	168.7	179.6	-22.9	0	0	0	109	T172 T173	N170-T172 PolarHBondContact ND2-OG1 2.92Å; N170-T172 PolarHBondContact O-N 2.98Å; N170-T172 PolarHBondContact OD1-N 3.23Å; N170-T172 PolarHBondContact OD1-OG1 3.44Å; N170-T173 HydrophobicContact CB-CG2 3.92Å; N170-T173 WeakPolarHBondContact O-CB 3.43Å; N170-T173 PolarHBondContact O-N 3.06Å; N170-T173 PolarHBondContact O-OG1 3.16Å
171	I	79.2	Confident	89.2	Confident	89 Å²	89	55 Å²	55	46%	0.456	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-28	-178.1	-55.1	169.3	0	0	0	112.4	T173 H200 L203 L210	I171-T173 VanDerWaalsContact C-N 3.34Å; I171-H200 HydrophobicContact CG2-CB 4.15Å; I171-L203 HydrophobicContact CG1-CD1 4.43Å; I171-L203 HydrophobicContact CG2-CD1 4.47Å; I171-L210 HydrophobicContact CD1-CD1 3.65Å; I171-L210 HydrophobicContact CG1-CD1 3.68Å
172	T	79.4	Confident	88.6	Confident	111 Å²	111	54.4 Å²	54.4	68%	0.681	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-14	178.9	61.7	0	0	0	0	114.1	N170	N170-T172 PolarHBondContact ND2-OG1 2.92Å; N170-T172 PolarHBondContact O-N 2.98Å; N170-T172 PolarHBondContact OD1-N 3.23Å; N170-T172 PolarHBondContact OD1-OG1 3.44Å
173	T	84.8	Confident	87.9	Confident	74 Å²	74	60.9 Å²	60.9	45%	0.454	32%	0.322	S	S	.	.	S	Bend	trans	-78.8	144.4	177.8	60.3	0	0	0	0	110.7	N170 I171 P175	N170-T173 HydrophobicContact CB-CG2 3.92Å; N170-T173 WeakPolarHBondContact O-CB 3.43Å; N170-T173 PolarHBondContact O-N 3.06Å; N170-T173 PolarHBondContact O-OG1 3.16Å; I171-T173 VanDerWaalsContact C-N 3.34Å; T173-P175 WeakPolarHBondContact O-CD 3.45Å
174	D	87.9	Confident	86.8	Confident	39 Å²	39	66.5 Å²	66.5	21%	0.209	34%	0.344	C	S	.	.			trans	-78.8	106.3	177.9	-179.8	-1.5	0	0	0	109.6	Y176 K177 R196	D174-Y176 PolarHBondContact O-N 3.26Å; D174-Y176 PolarHBondContact OD1-N 3.43Å; D174-K177 HydrophobicContact CB-CB 4.02Å; D174-K177 WeakPolarHBondContact O-CB 3.39Å; D174-K177 PolarHBondContact O-N 3.43Å; D174-K177 PolarHBondContact OD1-N 3.46Å; D174-R196 HydrophobicContact CB-CG 4.24Å; D174-R196 VanDerWaalsContact OD2-CD 3.28Å; D174-R196 WeakPolarHBondContact OD2-CD 3.39Å; D174-R196 IonicContact OD2-CZ 2.75Å; D174-R196 IonicContact OD2-NE 2.77Å; D174-R196 IonicContact OD2-NH1 3.66Å; D174-R196 PolarHBondContact OD2-NH1 3.48Å
175	P	89.5	Confident	85.6	Confident	29 Å²	29	65.2 Å²	65.2	19%	0.188	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-17.5	-176.2	32	-37.3	0	0	0	112	T173 F199	T173-P175 WeakPolarHBondContact O-CD 3.45Å; P175-F199 HydrophobicContact CB-CE1 4.2Å; P175-F199 HydrophobicContact CB-CE2 4.38Å; P175-F199 HydrophobicContact CB-CZ 4.08Å; P175-F199 HydrophobicContact CG-CB 4.49Å; P175-F199 HydrophobicContact CG-CD1 3.74Å; P175-F199 HydrophobicContact CG-CD2 3.84Å; P175-F199 HydrophobicContact CG-CE1 3.81Å; P175-F199 HydrophobicContact CG-CE2 3.9Å; P175-F199 HydrophobicContact CG-CG 3.74Å; P175-F199 HydrophobicContact CG-CZ 3.88Å
176	Y	91.8	Very high	84.6	Confident	8 Å²	8	73.2 Å²	73.2	3%	0.031	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	3.1	-178	-48	-70.8	0	0	0	113	D174 T178 N179 F192 L195 R196 F199 D278 D281	D174-Y176 PolarHBondContact O-N 3.26Å; D174-Y176 PolarHBondContact OD1-N 3.43Å; Y176-T178 PolarHBondContact O-N 2.82Å; Y176-T178 VanDerWaalsContact O-N 3.15Å; Y176-N179 VanDerWaalsContact O-CB 3.26Å; Y176-N179 WeakPolarHBondContact O-CB 3.41Å; Y176-N179 PolarHBondContact O-N 2.91Å; Y176-F192 AromaticContact CD1-CD1 3.96Å; Y176-F192 HydrophobicContact CD1-CD1 3.96Å; Y176-F192 HydrophobicContact CD1-CE1 4.03Å; Y176-F192 AromaticContact CG-CD1 3.8Å; Y176-F192 HydrophobicContact CG-CD1 3.8Å; Y176-F192 HydrophobicContact CG-CE1 4.32Å; Y176-L195 HydrophobicContact CD2-CB 4.1Å; Y176-L195 VanDerWaalsContact CE2-C 3.45Å; Y176-L195 HydrophobicContact CE2-CB 3.55Å; Y176-R196 HydrophobicContact CD2-CB 4.07Å; Y176-R196 HydrophobicContact CE2-CB 4.49Å; Y176-F199 HydrophobicContact CE2-CB 4.44Å; Y176-F199 HydrophobicContact CE2-CD2 4.16Å; Y176-F199 AromaticContact CZ-CD2 3.99Å; Y176-F199 WeakPolarHBondContact OH-CD2 3.29Å; Y176-D278 HydrophobicContact CD1-CB 4.01Å; Y176-D278 HydrophobicContact CE1-CB 4.05Å; Y176-D281 WeakPolarHBondContact CE1-OD2 3.32Å; Y176-D281 PolarHBondContact OH-OD2 3.03Å
177	K	89	Confident	83.6	Confident	157 Å²	157	78.3 Å²	78.3	68%	0.683	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-37.7	-173.5	-176.2	179.4	177.4	-175.1	0	113	D174	D174-K177 HydrophobicContact CB-CB 4.02Å; D174-K177 WeakPolarHBondContact O-CB 3.39Å; D174-K177 PolarHBondContact O-N 3.43Å; D174-K177 PolarHBondContact OD1-N 3.46Å
178	T	89.5	Confident	83.1	Confident	100 Å²	100	78.8 Å²	78.8	61%	0.613	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-8.4	-177.8	49	0	0	0	0	113.3	Y176 L180	Y176-T178 PolarHBondContact O-N 2.82Å; Y176-T178 VanDerWaalsContact O-N 3.15Å; T178-L180 PolarHBondContact O-N 3.01Å; T178-L180 VanDerWaalsContact O-N 3.17Å
179	N	91.6	Very high	82.9	Confident	1 Å²	1	78.7 Å²	78.7	1%	0.005	37%	0.374	C	S	.	.			trans	-63.1	117.1	-174.1	-172.6	-56	0	0	0	111.2	Y176 Y181 G182 R183 F192 D275 D278	Y176-N179 VanDerWaalsContact O-CB 3.26Å; Y176-N179 WeakPolarHBondContact O-CB 3.41Å; Y176-N179 PolarHBondContact O-N 2.91Å; N179-Y181 VanDerWaalsContact C-N 3.27Å; N179-Y181 PolarHBondContact O-N 3.22Å; N179-Y181 VanDerWaalsContact OD1-CB 3.29Å; N179-Y181 WeakPolarHBondContact OD1-CB 3.39Å; N179-Y181 WeakPolarHBondContact OD1-CD2 3.48Å; N179-Y181 PolarHBondContact OD1-N 3.1Å; N179-G182 PolarHBondContact O-N 3.45Å; N179-G182 VanDerWaalsContact O-N 3.1Å; N179-G182 PolarHBondContact OD1-N 3.4Å; N179-R183 WeakPolarHBondContact O-CG 3.16Å; N179-R183 PolarHBondContact O-N 3.32Å; N179-F192 HydrophobicContact CB-CE1 4.04Å; N179-F192 HydrophobicContact CB-CZ 4.35Å; N179-F192 VanDerWaalsContact CG-CZ 3.49Å; N179-F192 WeakPolarHBondContact ND2-CE1 3.39Å; N179-F192 WeakPolarHBondContact OD1-CZ 3.29Å; N179-D275 WeakPolarHBondContact CA-OD1 3.28Å; N179-D275 VanDerWaalsContact ND2-CA 3.35Å; N179-D275 WeakPolarHBondContact ND2-CA 3.5Å; N179-D275 PolarHBondContact ND2-O 3.22Å; N179-D278 WeakPolarHBondContact ND2-CB 3.44Å; N179-D278 PolarHBondContact ND2-OD2 3.25Å
180	L	90.2	Very high	83.2	Confident	14 Å²	14	81.7 Å²	81.7	7%	0.073	39%	0.385	C	S	.	.	H	α-helix	trans	-65.4	-30.4	-173.1	-60.6	-174.7	0	0	0	111.7	T178 G182 R183 Y184 D269 Y271 D275	T178-L180 PolarHBondContact O-N 3.01Å; T178-L180 VanDerWaalsContact O-N 3.17Å; L180-G182 PolarHBondContact O-N 3.02Å; L180-R183 PolarHBondContact O-N 3.34Å; L180-Y184 HydrophobicContact CB-CD2 4.29Å; L180-Y184 HydrophobicContact CB-CE2 4.32Å; L180-Y184 HydrophobicContact CD2-CE2 4.07Å; L180-Y184 VanDerWaalsContact O-CD2 3.22Å; L180-Y184 WeakPolarHBondContact O-CD2 3.49Å; L180-Y184 PolarHBondContact O-N 2.88Å; L180-D269 HydrophobicContact CD1-CB 4.3Å; L180-Y271 HydrophobicContact CB-CD1 3.62Å; L180-Y271 HydrophobicContact CB-CD2 4.44Å; L180-Y271 HydrophobicContact CB-CE1 3.35Å; L180-Y271 HydrophobicContact CB-CE2 4.19Å; L180-Y271 HydrophobicContact CB-CG 4.18Å; L180-Y271 HydrophobicContact CD1-CD1 4.34Å; L180-Y271 HydrophobicContact CD1-CD2 3.92Å; L180-Y271 HydrophobicContact CD1-CE2 4.08Å; L180-Y271 HydrophobicContact CD1-CG 4.04Å; L180-D275 WeakPolarHBondContact CB-OD2 3.47Å; L180-D275 WeakPolarHBondContact CG-OD2 3.39Å; L180-D275 PolarHBondContact N-OD2 3.36Å
181	Y	88.4	Confident	83.5	Confident	4 Å²	4	79.5 Å²	79.5	2%	0.016	38%	0.376	C	S	.	.	H	α-helix	trans	-63.7	-42.9	173.8	-63.8	-84.2	0	0	0	111.5	N179 S185 F247 P250 W252 K256 Y271 D275 L279	N179-Y181 VanDerWaalsContact C-N 3.27Å; N179-Y181 PolarHBondContact O-N 3.22Å; N179-Y181 VanDerWaalsContact OD1-CB 3.29Å; N179-Y181 WeakPolarHBondContact OD1-CB 3.39Å; N179-Y181 WeakPolarHBondContact OD1-CD2 3.48Å; N179-Y181 PolarHBondContact OD1-N 3.1Å; Y181-S185 PolarHBondContact O-N 2.91Å; Y181-F247 HydrophobicContact CD1-CE1 4.43Å; Y181-F247 AromaticContact CD1-CE2 3.75Å; Y181-F247 HydrophobicContact CD1-CE2 3.75Å; Y181-F247 AromaticContact CD1-CZ 3.3Å; Y181-F247 HydrophobicContact CD1-CZ 3.3Å; Y181-F247 AromaticContact CE1-CE2 4Å; Y181-F247 HydrophobicContact CE1-CE2 4Å; Y181-F247 AromaticContact CE1-CZ 3.9Å; Y181-F247 HydrophobicContact CE1-CZ 3.9Å; Y181-F247 AromaticContact CG-CZ 3.71Å; Y181-F247 HydrophobicContact CG-CZ 3.71Å; Y181-P250 HydrophobicContact CE1-CB 4.18Å; Y181-P250 PolarHBondContact OH-O 2.98Å; Y181-W252 WeakPolarHBondContact OH-CB 3.35Å; Y181-K256 HydrophobicContact CD1-CD 4.27Å; Y181-K256 HydrophobicContact CE1-CD 3.49Å; Y181-K256 VanDerWaalsContact CE1-CD 3.49Å; Y181-Y271 HydrophobicContact CD1-CD1 4.2Å; Y181-Y271 AromaticContact CD1-CE1 3.88Å; Y181-Y271 HydrophobicContact CD1-CE1 3.88Å; Y181-Y271 AromaticContact CD2-CD1 3.71Å; Y181-Y271 HydrophobicContact CD2-CD1 3.71Å; Y181-Y271 HydrophobicContact CD2-CE1 4.01Å; Y181-Y271 HydrophobicContact CE1-CD1 4.03Å; Y181-Y271 HydrophobicContact CE1-CE1 4.05Å; Y181-Y271 AromaticContact CE2-CD1 3.47Å; Y181-Y271 HydrophobicContact CE2-CD1 3.47Å; Y181-Y271 VanDerWaalsContact CE2-CD1 3.47Å; Y181-Y271 HydrophobicContact CE2-CE1 4.13Å; Y181-Y271 HydrophobicContact CE2-CG 4.45Å; Y181-Y271 HydrophobicContact CG-CD1 4.06Å; Y181-Y271 AromaticContact CG-CE1 3.88Å; Y181-Y271 HydrophobicContact CG-CE1 3.88Å; Y181-Y271 AromaticContact CZ-CD1 3.62Å; Y181-D275 HydrophobicContact CD2-CB 4.05Å; Y181-D275 WeakPolarHBondContact CD2-O 3.33Å; Y181-D275 HydrophobicContact CE2-CB 4.02Å; Y181-L279 HydrophobicContact CD2-CD1 4.26Å; Y181-L279 HydrophobicContact CD2-CD2 4.07Å; Y181-L279 HydrophobicContact CD2-CG 4.4Å; Y181-L279 HydrophobicContact CE1-CD1 4.23Å; Y181-L279 HydrophobicContact CE2-CD1 3.97Å; Y181-L279 HydrophobicContact CE2-CG 4.42Å; Y181-L279 HydrophobicContact CG-CD2 4.2Å
182	G	84.8	Confident	84	Confident	10 Å²	10	75.9 Å²	75.9	10%	0.103	36%	0.356	C	S	.	.	H	α-helix	trans	-68	-36.3	177	0	0	0	0	0	113.1	N179 L180 R189 F192	N179-G182 PolarHBondContact O-N 3.45Å; N179-G182 VanDerWaalsContact O-N 3.1Å; N179-G182 PolarHBondContact OD1-N 3.4Å; L180-G182 PolarHBondContact O-N 3.02Å; G182-R189 WeakPolarHBondContact O-CG 3.28Å; G182-F192 VanDerWaalsContact CA-CD2 3.41Å
183	R	82.4	Confident	84.5	Confident	136 Å²	136	76.5 Å²	76.5	51%	0.513	35%	0.352	S	S	.	.	H	α-helix	trans	-68.2	-48.2	-178.4	-70.6	-178.7	74.3	-172.5	1.9	112.7	N179 L180 R189	N179-R183 WeakPolarHBondContact O-CG 3.16Å; N179-R183 PolarHBondContact O-N 3.32Å; L180-R183 PolarHBondContact O-N 3.34Å; R183-R189 PolarHBondContact O-NH2 3.21Å
184	Y	73.4	Confident	84.8	Confident	139 Å²	139	77.5 Å²	77.5	55%	0.545	35%	0.351	S	S	.	.	H	α-helix	trans	-89.2	-18.6	-168.8	-68.1	-66.7	0	0	0	115	L180	L180-Y184 HydrophobicContact CB-CD2 4.29Å; L180-Y184 HydrophobicContact CB-CE2 4.32Å; L180-Y184 HydrophobicContact CD2-CE2 4.07Å; L180-Y184 VanDerWaalsContact O-CD2 3.22Å; L180-Y184 WeakPolarHBondContact O-CD2 3.49Å; L180-Y184 PolarHBondContact O-N 2.88Å
185	S	71.6	Confident	85	Confident	28 Å²	28	75.7 Å²	75.7	20%	0.196	34%	0.341	C	S	.	.			trans	-111.1	112.3	-179.5	176.3	0	0	0	0	112	Y181 R187 F188 R189	Y181-S185 PolarHBondContact O-N 2.91Å; S185-R187 PolarHBondContact O-N 3.06Å; S185-F188 VanDerWaalsContact CB-CG 3.49Å; S185-F188 PolarHBondContact O-N 3.33Å; S185-F188 WeakPolarHBondContact OG-CD2 3.46Å; S185-F188 WeakPolarHBondContact OG-CE2 3.36Å; S185-F188 WeakPolarHBondContact OG-CG 3.47Å; S185-F188 PolarHBondContact OG-N 2.97Å; S185-R189 PolarHBondContact O-N 3.44Å
186	R	73.6	Confident	85.1	Confident	215 Å²	215	80.5 Å²	80.5	81%	0.811	36%	0.356	S	S	*	.	H	α-helix	trans	-54.3	-37	173.8	-71.2	-174.3	-177.7	-174.8	0.7	112.3	F188 R189	R186-F188 VanDerWaalsContact C-N 3.29Å; R186-F188 PolarHBondContact O-N 3.16Å; R186-R189 PolarHBondContact O-N 3Å
187	R	71.4	Confident	85.1	Confident	211 Å²	211	83.7 Å²	83.7	80%	0.796	38%	0.379	S	S	*	.	H	α-helix	trans	-65.1	-33.8	177.4	-172.2	177.6	-179	177.1	1	112	S185	S185-R187 PolarHBondContact O-N 3.06Å
188	F	80.8	Confident	85.2	Confident	34 Å²	34	77.5 Å²	77.5	15%	0.149	36%	0.355	C	S	.	.	H	α-helix	trans	-84.9	-24.1	-178.2	-54.2	-23.8	0	0	0	112.3	S185 R186 T190 V191 F192 F247	S185-F188 VanDerWaalsContact CB-CG 3.49Å; S185-F188 PolarHBondContact O-N 3.33Å; S185-F188 WeakPolarHBondContact OG-CD2 3.46Å; S185-F188 WeakPolarHBondContact OG-CE2 3.36Å; S185-F188 WeakPolarHBondContact OG-CG 3.47Å; S185-F188 PolarHBondContact OG-N 2.97Å; R186-F188 VanDerWaalsContact C-N 3.29Å; R186-F188 PolarHBondContact O-N 3.16Å; F188-T190 VanDerWaalsContact C-N 3.26Å; F188-T190 PolarHBondContact O-N 3Å; F188-V191 PolarHBondContact O-N 3.32Å; F188-F192 HydrophobicContact CB-CD2 4.1Å; F188-F192 HydrophobicContact CB-CE2 4.21Å; F188-F192 WeakPolarHBondContact O-CD2 3.3Å; F188-F192 PolarHBondContact O-N 2.74Å; F188-F247 HydrophobicContact CB-CE1 4.37Å; F188-F247 HydrophobicContact CD1-CB 4.28Å; F188-F247 AromaticContact CD1-CD1 3.42Å; F188-F247 HydrophobicContact CD1-CD1 3.42Å; F188-F247 VanDerWaalsContact CD1-CD1 3.42Å; F188-F247 AromaticContact CD1-CE1 3.97Å; F188-F247 HydrophobicContact CD1-CE1 3.97Å; F188-F247 AromaticContact CD1-CG 3.92Å; F188-F247 HydrophobicContact CD1-CG 3.92Å; F188-F247 AromaticContact CD2-CD1 3.79Å; F188-F247 HydrophobicContact CD2-CD1 3.79Å; F188-F247 AromaticContact CD2-CE1 3.51Å; F188-F247 HydrophobicContact CD2-CE1 3.51Å; F188-F247 HydrophobicContact CD2-CE2 4.28Å; F188-F247 HydrophobicContact CD2-CG 4.35Å; F188-F247 AromaticContact CD2-CZ 3.8Å; F188-F247 HydrophobicContact CD2-CZ 3.8Å; F188-F247 HydrophobicContact CE1-CB 3.56Å; F188-F247 AromaticContact CE1-CD1 3.39Å; F188-F247 HydrophobicContact CE1-CD1 3.39Å; F188-F247 HydrophobicContact CE1-CD2 4.03Å; F188-F247 HydrophobicContact CE1-CE1 4.14Å; F188-F247 AromaticContact CE1-CG 3.36Å; F188-F247 HydrophobicContact CE1-CG 3.36Å; F188-F247 AromaticContact CE2-CD1 3.79Å; F188-F247 HydrophobicContact CE2-CD1 3.79Å; F188-F247 AromaticContact CE2-CD2 3.8Å; F188-F247 HydrophobicContact CE2-CD2 3.8Å; F188-F247 AromaticContact CE2-CE1 3.72Å; F188-F247 HydrophobicContact CE2-CE1 3.72Å; F188-F247 AromaticContact CE2-CE2 3.68Å; F188-F247 HydrophobicContact CE2-CE2 3.68Å; F188-F247 AromaticContact CE2-CG 3.87Å; F188-F247 HydrophobicContact CE2-CG 3.87Å; F188-F247 AromaticContact CE2-CZ 3.69Å; F188-F247 HydrophobicContact CE2-CZ 3.69Å; F188-F247 AromaticContact CG-CD1 3.66Å; F188-F247 HydrophobicContact CG-CD1 3.66Å; F188-F247 AromaticContact CG-CE1 3.69Å; F188-F247 HydrophobicContact CG-CE1 3.69Å; F188-F247 HydrophobicContact CG-CG 4.42Å; F188-F247 HydrophobicContact CG-CZ 4.44Å; F188-F247 HydrophobicContact CZ-CB 3.89Å; F188-F247 AromaticContact CZ-CD1 3.59Å; F188-F247 HydrophobicContact CZ-CD1 3.59Å; F188-F247 AromaticContact CZ-CD2 3.48Å; F188-F247 HydrophobicContact CZ-CD2 3.48Å; F188-F247 VanDerWaalsContact CZ-CD2 3.48Å; F188-F247 HydrophobicContact CZ-CE1 4.03Å; F188-F247 AromaticContact CZ-CE2 3.9Å; F188-F247 HydrophobicContact CZ-CE2 3.9Å; F188-F247 AromaticContact CZ-CG 3.34Å; F188-F247 HydrophobicContact CZ-CG 3.34Å; F188-F247 HydrophobicContact CZ-CZ 4.19Å
189	R	81.3	Confident	85.4	Confident	124 Å²	124	73 Å²	73	47%	0.468	33%	0.326	S	S	.	.	H	α-helix	trans	-50.5	-45.1	175.2	-72.3	-179.8	-171.5	-177.6	-0.3	112.8	G182 R183 S185 R186 V191 F192 Q193	G182-R189 WeakPolarHBondContact O-CG 3.28Å; R183-R189 PolarHBondContact O-NH2 3.21Å; S185-R189 PolarHBondContact O-N 3.44Å; R186-R189 PolarHBondContact O-N 3Å; R189-V191 VanDerWaalsContact C-N 3.31Å; R189-V191 PolarHBondContact O-N 2.71Å; R189-F192 PolarHBondContact O-N 3.23Å; R189-Q193 WeakPolarHBondContact O-CB 3.48Å; R189-Q193 WeakPolarHBondContact O-CG 3.33Å; R189-Q193 PolarHBondContact O-N 3.04Å
190	T	85.8	Confident	85.3	Confident	95 Å²	95	77.7 Å²	77.7	58%	0.583	35%	0.348	S	S	*	.	H	α-helix	trans	-63.2	-38.3	179.3	-52.9	0	0	0	0	112.1	F188 Q193 H194	F188-T190 VanDerWaalsContact C-N 3.26Å; F188-T190 PolarHBondContact O-N 3Å; T190-Q193 PolarHBondContact O-N 3.3Å; T190-H194 PolarHBondContact O-N 2.87Å
191	V	87.2	Confident	85.3	Confident	52 Å²	52	82.1 Å²	82.1	32%	0.315	37%	0.368	S	S	.	.	H	α-helix	trans	-72.8	-41.6	179.3	-167.9	0	0	0	0	111.4	F188 R189 Q193 H194 L195 T246	F188-V191 PolarHBondContact O-N 3.32Å; R189-V191 VanDerWaalsContact C-N 3.31Å; R189-V191 PolarHBondContact O-N 2.71Å; V191-Q193 VanDerWaalsContact C-N 3.3Å; V191-Q193 PolarHBondContact O-N 3.15Å; V191-H194 WeakPolarHBondContact O-CB 3.42Å; V191-H194 PolarHBondContact O-N 3.43Å; V191-H194 VanDerWaalsContact O-N 3.1Å; V191-L195 WeakPolarHBondContact O-CG 3.43Å; V191-L195 PolarHBondContact O-N 3.12Å; V191-T246 HydrophobicContact CB-CG2 3.65Å; V191-T246 HydrophobicContact CG1-CG2 3.24Å; V191-T246 HydrophobicContact CG2-CG2 4.08Å
192	F	90.3	Very high	85.5	Confident	12 Å²	12	82.3 Å²	82.3	5%	0.053	37%	0.369	C	S	.	.	H	α-helix	trans	-65.7	-32.9	174.3	-80.6	-77.6	0	0	0	112.6	Y176 N179 G182 F188 R189 H194 L195 R196 D278 L279	Y176-F192 AromaticContact CD1-CD1 3.96Å; Y176-F192 HydrophobicContact CD1-CD1 3.96Å; Y176-F192 HydrophobicContact CD1-CE1 4.03Å; Y176-F192 AromaticContact CG-CD1 3.8Å; Y176-F192 HydrophobicContact CG-CD1 3.8Å; Y176-F192 HydrophobicContact CG-CE1 4.32Å; N179-F192 HydrophobicContact CB-CE1 4.04Å; N179-F192 HydrophobicContact CB-CZ 4.35Å; N179-F192 VanDerWaalsContact CG-CZ 3.49Å; N179-F192 WeakPolarHBondContact ND2-CE1 3.39Å; N179-F192 WeakPolarHBondContact OD1-CZ 3.29Å; G182-F192 VanDerWaalsContact CA-CD2 3.41Å; F188-F192 HydrophobicContact CB-CD2 4.1Å; F188-F192 HydrophobicContact CB-CE2 4.21Å; F188-F192 WeakPolarHBondContact O-CD2 3.3Å; F188-F192 PolarHBondContact O-N 2.74Å; R189-F192 PolarHBondContact O-N 3.23Å; F192-H194 VanDerWaalsContact C-N 3.33Å; F192-L195 HydrophobicContact CD1-CD1 4.12Å; F192-L195 HydrophobicContact CE1-CD1 4.37Å; F192-R196 VanDerWaalsContact O-CB 3.22Å; F192-R196 WeakPolarHBondContact O-CB 3.41Å; F192-R196 PolarHBondContact O-N 3.47Å; F192-D278 HydrophobicContact CE1-CB 4.29Å; F192-L279 HydrophobicContact CE2-CD2 4.33Å; F192-L279 HydrophobicContact CZ-CD2 3.78Å
193	Q	89.9	Confident	85.9	Confident	125 Å²	125	82.9 Å²	82.9	58%	0.584	37%	0.37	S	S	*	.	H	α-helix	trans	-62.1	-41.6	169.7	-77.2	168.8	-9.8	0	0	111.5	R189 T190 V191 R196 S197	R189-Q193 WeakPolarHBondContact O-CB 3.48Å; R189-Q193 WeakPolarHBondContact O-CG 3.33Å; R189-Q193 PolarHBondContact O-N 3.04Å; T190-Q193 PolarHBondContact O-N 3.3Å; V191-Q193 VanDerWaalsContact C-N 3.3Å; V191-Q193 PolarHBondContact O-N 3.15Å; Q193-R196 PolarHBondContact O-N 3.33Å; Q193-S197 WeakPolarHBondContact O-CB 3.47Å; Q193-S197 PolarHBondContact O-N 3.36Å
194	H	90.4	Very high	86.2	Confident	95 Å²	95	77.7 Å²	77.7	44%	0.44	35%	0.352	S	S	.	.	H	α-helix	trans	-65	-50.2	175.4	-179.8	64.6	0	0	0	112	T190 V191 F192 R196 S197 T198	T190-H194 PolarHBondContact O-N 2.87Å; V191-H194 WeakPolarHBondContact O-CB 3.42Å; V191-H194 PolarHBondContact O-N 3.43Å; V191-H194 VanDerWaalsContact O-N 3.1Å; F192-H194 VanDerWaalsContact C-N 3.33Å; H194-R196 VanDerWaalsContact C-N 3.26Å; H194-R196 PolarHBondContact O-N 3.46Å; H194-S197 PolarHBondContact O-N 2.76Å; H194-S197 PolarHBondContact O-OG 3.17Å; H194-T198 PolarHBondContact O-N 3.31Å; H194-T198 VanDerWaalsContact O-N 3.11Å; H194-T198 PolarHBondContact O-OG1 3.06Å
195	L	91.7	Very high	87	Confident	0 Å²	0	77.3 Å²	77.3	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-54.4	-43.6	175.4	-76.1	173.2	0	0	0	111.5	Y176 V191 F192 T198 F199 D281 Q282	Y176-L195 HydrophobicContact CD2-CB 4.1Å; Y176-L195 VanDerWaalsContact CE2-C 3.45Å; Y176-L195 HydrophobicContact CE2-CB 3.55Å; V191-L195 WeakPolarHBondContact O-CG 3.43Å; V191-L195 PolarHBondContact O-N 3.12Å; F192-L195 HydrophobicContact CD1-CD1 4.12Å; F192-L195 HydrophobicContact CE1-CD1 4.37Å; L195-T198 PolarHBondContact O-N 2.94Å; L195-T198 PolarHBondContact O-OG1 3Å; L195-F199 WeakPolarHBondContact O-CA 3.46Å; L195-F199 WeakPolarHBondContact O-CB 3.35Å; L195-F199 PolarHBondContact O-N 3.43Å; L195-D281 HydrophobicContact CD2-CB 4.32Å; L195-Q282 HydrophobicContact CD2-CB 3.88Å
196	R	91.8	Very high	87.8	Confident	131 Å²	131	82.1 Å²	82.1	49%	0.494	37%	0.369	S	S	.	.	H	α-helix	trans	-61	-48	175.1	-179.3	-164.9	172.7	161.8	-13.6	111.6	D174 Y176 F192 Q193 H194 T198 F199	D174-R196 HydrophobicContact CB-CG 4.24Å; D174-R196 VanDerWaalsContact OD2-CD 3.28Å; D174-R196 WeakPolarHBondContact OD2-CD 3.39Å; D174-R196 IonicContact OD2-CZ 2.75Å; D174-R196 IonicContact OD2-NE 2.77Å; D174-R196 IonicContact OD2-NH1 3.66Å; D174-R196 PolarHBondContact OD2-NH1 3.48Å; Y176-R196 HydrophobicContact CD2-CB 4.07Å; Y176-R196 HydrophobicContact CE2-CB 4.49Å; F192-R196 VanDerWaalsContact O-CB 3.22Å; F192-R196 WeakPolarHBondContact O-CB 3.41Å; F192-R196 PolarHBondContact O-N 3.47Å; Q193-R196 PolarHBondContact O-N 3.33Å; H194-R196 VanDerWaalsContact C-N 3.26Å; H194-R196 PolarHBondContact O-N 3.46Å; R196-T198 PolarHBondContact O-N 3.15Å; R196-F199 WeakPolarHBondContact O-CB 3.26Å; R196-F199 PolarHBondContact O-N 3.34Å
197	S	91.9	Very high	88.3	Confident	74 Å²	74	79.6 Å²	79.6	52%	0.517	37%	0.372	S	S	.	.	H	α-helix	trans	-62.5	-29.5	-176.7	70.2	0	0	0	0	113	Q193 H194	Q193-S197 WeakPolarHBondContact O-CB 3.47Å; Q193-S197 PolarHBondContact O-N 3.36Å; H194-S197 PolarHBondContact O-N 2.76Å; H194-S197 PolarHBondContact O-OG 3.17Å
198	T	91.8	Very high	88.9	Confident	28 Å²	28	80.7 Å²	80.7	17%	0.172	38%	0.376	C	S	.	.	H	α-helix	trans	-101.1	-6	-177	52	0	0	0	0	113.5	H194 L195 R196 H200 H201 H202	H194-T198 PolarHBondContact O-N 3.31Å; H194-T198 VanDerWaalsContact O-N 3.11Å; H194-T198 PolarHBondContact O-OG1 3.06Å; L195-T198 PolarHBondContact O-N 2.94Å; L195-T198 PolarHBondContact O-OG1 3Å; R196-T198 PolarHBondContact O-N 3.15Å; T198-H200 VanDerWaalsContact C-N 3.27Å; T198-H200 PolarHBondContact O-N 3.47Å; T198-H200 VanDerWaalsContact O-N 3.1Å; T198-H201 WeakPolarHBondContact O-CB 3.18Å; T198-H201 PolarHBondContact O-N 2.73Å; T198-H202 PolarHBondContact O-CD2 3.49Å
199	F	92.1	Very high	89.4	Confident	4 Å²	4	80.9 Å²	80.9	2%	0.018	38%	0.38	C	S	.	.	H	α-helix	trans	-54.8	-37.8	-171.1	-176.6	-110.7	0	0	0	114.3	F167 P175 Y176 L195 R196 H201 H202 L203	F167-F199 HydrophobicContact CD2-CE1 4.08Å; F167-F199 AromaticContact CD2-CZ 3.89Å; F167-F199 HydrophobicContact CD2-CZ 3.89Å; F167-F199 HydrophobicContact CE1-CE1 4.17Å; F167-F199 AromaticContact CE2-CE1 3.61Å; F167-F199 HydrophobicContact CE2-CE1 3.61Å; F167-F199 AromaticContact CE2-CZ 3.75Å; F167-F199 HydrophobicContact CE2-CZ 3.75Å; F167-F199 AromaticContact CZ-CE1 3.67Å; F167-F199 HydrophobicContact CZ-CE1 3.67Å; F167-F199 HydrophobicContact CZ-CZ 4.28Å; P175-F199 HydrophobicContact CB-CE1 4.2Å; P175-F199 HydrophobicContact CB-CE2 4.38Å; P175-F199 HydrophobicContact CB-CZ 4.08Å; P175-F199 HydrophobicContact CG-CB 4.49Å; P175-F199 HydrophobicContact CG-CD1 3.74Å; P175-F199 HydrophobicContact CG-CD2 3.84Å; P175-F199 HydrophobicContact CG-CE1 3.81Å; P175-F199 HydrophobicContact CG-CE2 3.9Å; P175-F199 HydrophobicContact CG-CG 3.74Å; P175-F199 HydrophobicContact CG-CZ 3.88Å; Y176-F199 HydrophobicContact CE2-CB 4.44Å; Y176-F199 HydrophobicContact CE2-CD2 4.16Å; Y176-F199 AromaticContact CZ-CD2 3.99Å; Y176-F199 WeakPolarHBondContact OH-CD2 3.29Å; L195-F199 WeakPolarHBondContact O-CA 3.46Å; L195-F199 WeakPolarHBondContact O-CB 3.35Å; L195-F199 PolarHBondContact O-N 3.43Å; R196-F199 WeakPolarHBondContact O-CB 3.26Å; R196-F199 PolarHBondContact O-N 3.34Å; F199-H201 PolarHBondContact O-N 3.14Å; F199-H202 WeakPolarHBondContact O-CA 3.35Å; F199-H202 VanDerWaalsContact O-CB 3.28Å; F199-H202 WeakPolarHBondContact O-CB 3.44Å; F199-H202 PolarHBondContact O-N 3.42Å; F199-L203 HydrophobicContact CD1-CD1 4.45Å; F199-L203 HydrophobicContact CE1-CD1 4.09Å; F199-L203 HydrophobicContact CE1-CD2 3.99Å; F199-L203 HydrophobicContact CE1-CG 4.22Å; F199-L203 HydrophobicContact CZ-CD2 3.86Å; F199-L203 HydrophobicContact CZ-CG 4.49Å
200	H	90.6	Very high	90	Very high	100 Å²	100	76.8 Å²	76.8	46%	0.463	37%	0.367	S	S	.	.	H	α-helix	trans	-60.2	-30.2	178.2	71.8	-75.6	0	0	0	113	I171 T198 H202 L203	I171-H200 HydrophobicContact CG2-CB 4.15Å; T198-H200 VanDerWaalsContact C-N 3.27Å; T198-H200 PolarHBondContact O-N 3.47Å; T198-H200 VanDerWaalsContact O-N 3.1Å; H200-H202 VanDerWaalsContact C-N 3.29Å; H200-L203 PolarHBondContact O-N 3.34Å
201	H	90.5	Very high	90.3	Very high	107 Å²	107	75.2 Å²	75.2	50%	0.495	35%	0.351	S	S	.	.	H	α-helix	trans	-73.6	-21.9	173.4	-62.6	-57.2	0	0	0	112.7	T198 F199 L203 Y285	T198-H201 WeakPolarHBondContact O-CB 3.18Å; T198-H201 PolarHBondContact O-N 2.73Å; F199-H201 PolarHBondContact O-N 3.14Å; H201-L203 PolarHBondContact O-N 3.1Å; H201-Y285 HydrophobicContact CB-CE2 4.32Å; H201-Y285 WeakPolarHBondContact O-CE2 3.4Å
202	H	91.8	Very high	90.7	Very high	9 Å²	9	74.1 Å²	74.1	4%	0.042	34%	0.341	C	S	.	.	H	α-helix	trans	-75.9	-17.9	178.8	-59.7	-165.3	0	0	0	111.6	T198 F199 H200 Y285 Q288	T198-H202 PolarHBondContact O-CD2 3.49Å; F199-H202 WeakPolarHBondContact O-CA 3.35Å; F199-H202 VanDerWaalsContact O-CB 3.28Å; F199-H202 WeakPolarHBondContact O-CB 3.44Å; F199-H202 PolarHBondContact O-N 3.42Å; H200-H202 VanDerWaalsContact C-N 3.29Å; H202-Y285 HydrophobicContact CB-CD2 4.15Å; H202-Y285 AromaticContact CD2-CD1 3.59Å; H202-Y285 AromaticContact CD2-CD2 3.53Å; H202-Y285 AromaticContact CD2-CE1 3.98Å; H202-Y285 AromaticContact CD2-CE2 3.93Å; H202-Y285 AromaticContact CD2-CG 3.33Å; H202-Y285 AromaticContact CG-CD2 3.92Å; H202-Y285 AromaticContact CG-CG 3.83Å; H202-Y285 AromaticContact NE2-CD1 3.47Å; H202-Y285 WeakPolarHBondContact NE2-CD1 3.48Å; H202-Y285 AromaticContact NE2-CG 3.57Å; H202-Q288 PolarHBondContact O-NE2 3.08Å; H202-Q288 VanDerWaalsContact O-NE2 3.09Å
203	L	92.6	Very high	90.9	Very high	22 Å²	22	73.9 Å²	73.9	12%	0.115	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	132.6	-177.6	-60.5	177.5	0	0	0	111.9	F167 I171 F199 H200 H201 L210 Y211 R212	F167-L203 HydrophobicContact CB-CD2 3.94Å; F167-L203 HydrophobicContact CD1-CD1 3.95Å; F167-L203 HydrophobicContact CD1-CD2 4.12Å; F167-L203 HydrophobicContact CE1-CD1 4.19Å; F167-L203 HydrophobicContact CG-CD2 3.95Å; I171-L203 HydrophobicContact CG1-CD1 4.43Å; I171-L203 HydrophobicContact CG2-CD1 4.47Å; F199-L203 HydrophobicContact CD1-CD1 4.45Å; F199-L203 HydrophobicContact CE1-CD1 4.09Å; F199-L203 HydrophobicContact CE1-CD2 3.99Å; F199-L203 HydrophobicContact CE1-CG 4.22Å; F199-L203 HydrophobicContact CZ-CD2 3.86Å; F199-L203 HydrophobicContact CZ-CG 4.49Å; H200-L203 PolarHBondContact O-N 3.34Å; H201-L203 PolarHBondContact O-N 3.1Å; L203-L210 HydrophobicContact CB-CD2 4.34Å; L203-L210 HydrophobicContact CD1-CD1 4.24Å; L203-Y211 CarbonylContact C-O 3.52Å; L203-Y211 WeakPolarHBondContact CA-O 3.29Å; L203-R212 HydrophobicContact CD2-CB 4.1Å
204	L	90.6	Very high	91.3	Very high	27 Å²	27	68 Å²	68	14%	0.141	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	134.5	169.1	-65.4	176.9	0	0	0	110	Y164 L210 Y211 Q288	Y164-L204 HydrophobicContact CD1-CD1 4.12Å; Y164-L204 HydrophobicContact CE1-CD1 3.31Å; L204-L210 CarbonylContact O-C 3.46Å; L204-L210 WeakPolarHBondContact O-CA 3.31Å; L204-Y211 PolarHBondContact N-O 3.23Å; L204-Y211 PolarHBondContact O-N 3.04Å; L204-Q288 HydrophobicContact CD1-CG 4.19Å; L204-Q288 VanDerWaalsContact CD1-OE1 3.26Å; L204-Q288 HydrophobicContact CD2-CG 4.25Å; L204-Q288 HydrophobicContact CG-CG 4.41Å
205	H	89.4	Confident	91.6	Very high	130 Å²	130	63.5 Å²	63.5	60%	0.602	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.2	119.3	175.4	-172.5	-90.8	0	0	0	110.5	R208 L210	H205-R208 WeakPolarHBondContact NE2-CA 3.26Å; H205-L210 HydrophobicContact CB-CD2 4.26Å
206	R	88.1	Confident	91.9	Very high	130 Å²	130	63.5 Å²	63.5	49%	0.491	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	121.7	174.3	-70	-175	176.5	-178	1.2	109.7	R208 T209 Y211	R206-R208 VanDerWaalsContact C-N 3.3Å; R206-R208 PolarHBondContact O-N 3.21Å; R206-T209 PolarHBondContact N-O 3.04Å; R206-T209 PolarHBondContact O-N 3.4Å; R206-T209 VanDerWaalsContact O-O 3.08Å; R206-Y211 HydrophobicContact CB-CD2 4.03Å; R206-Y211 HydrophobicContact CB-CE2 3.89Å; R206-Y211 HydrophobicContact CG-CD2 4.49Å
207	N	84.1	Confident	92.2	Very high	162 Å²	162	57.2 Å²	57.2	87%	0.866	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	43.3	175.4	-64	-13.2	0	0	0	115	T209	N207-T209 PolarHBondContact O-N 2.92Å
208	R	84.7	Confident	92.5	Very high	233 Å²	233	55 Å²	55	88%	0.879	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.1	3.5	-177	-52.7	177	172.6	158.8	-2.4	115.4	H205 R206	H205-R208 WeakPolarHBondContact NE2-CA 3.26Å; R206-R208 VanDerWaalsContact C-N 3.3Å; R206-R208 PolarHBondContact O-N 3.21Å
209	T	90.8	Very high	92.8	Very high	39 Å²	39	53.7 Å²	53.7	24%	0.239	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	143.3	173.5	-55.6	0	0	0	0	109.9	E166 R206 N207 Y211	E166-T209 HydrophobicContact CG-CG2 3.55Å; E166-T209 WeakPolarHBondContact OE1-CG2 3.22Å; R206-T209 PolarHBondContact N-O 3.04Å; R206-T209 PolarHBondContact O-N 3.4Å; R206-T209 VanDerWaalsContact O-O 3.08Å; N207-T209 PolarHBondContact O-N 2.92Å; T209-Y211 HydrophobicContact CG2-CD2 4.33Å; T209-Y211 HydrophobicContact CG2-CE1 4.29Å; T209-Y211 HydrophobicContact CG2-CE2 3.64Å
210	L	93.1	Very high	93.1	Very high	38 Å²	38	53.5 Å²	53.5	20%	0.199	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	138.4	175.5	-66.1	167.3	0	0	0	109.4	F167 I171 L203 L204 H205	F167-L210 HydrophobicContact CB-CB 4.2Å; F167-L210 HydrophobicContact CD1-CB 4.37Å; F167-L210 HydrophobicContact CD1-CD1 4.34Å; F167-L210 PolarHBondContact N-O 3.11Å; I171-L210 HydrophobicContact CD1-CD1 3.65Å; I171-L210 HydrophobicContact CG1-CD1 3.68Å; L203-L210 HydrophobicContact CB-CD2 4.34Å; L203-L210 HydrophobicContact CD1-CD1 4.24Å; L204-L210 CarbonylContact O-C 3.46Å; L204-L210 WeakPolarHBondContact O-CA 3.31Å; H205-L210 HydrophobicContact CB-CD2 4.26Å
211	Y	93.7	Very high	93.5	Very high	61 Å²	61	48.8 Å²	48.8	24%	0.239	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	143.7	177.4	-65.8	-86.8	0	0	0	110.1	E165 E166 L203 L204 R206 T209	E165-Y211 CarbonylContact O-C 3.56Å; E165-Y211 VanDerWaalsContact O-CA 3.3Å; E165-Y211 WeakPolarHBondContact O-CA 3.44Å; E166-Y211 HydrophobicContact CB-CD1 4.23Å; E166-Y211 HydrophobicContact CB-CE1 3.95Å; E166-Y211 HydrophobicContact CG-CE1 4.43Å; L203-Y211 CarbonylContact C-O 3.52Å; L203-Y211 WeakPolarHBondContact CA-O 3.29Å; L204-Y211 PolarHBondContact N-O 3.23Å; L204-Y211 PolarHBondContact O-N 3.04Å; R206-Y211 HydrophobicContact CB-CD2 4.03Å; R206-Y211 HydrophobicContact CB-CE2 3.89Å; R206-Y211 HydrophobicContact CG-CD2 4.49Å; T209-Y211 HydrophobicContact CG2-CD2 4.33Å; T209-Y211 HydrophobicContact CG2-CE1 4.29Å; T209-Y211 HydrophobicContact CG2-CE2 3.64Å
212	R	94.1	Very high	93.9	Very high	29 Å²	29	43.7 Å²	43.7	11%	0.109	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	142.8	163.8	62.9	179.9	174	-173.7	-4	109.6	E165 L203 R214	E165-R212 HydrophobicContact CB-CG 4.08Å; E165-R212 PolarHBondContact N-O 3.46Å; E165-R212 PolarHBondContact O-N 3.09Å; E165-R212 IonicContact OE1-CZ 3.06Å; E165-R212 IonicContact OE1-NE 3.55Å; E165-R212 IonicContact OE1-NH2 3.79Å; E165-R212 PolarHBondContact OE1-NH2 3.28Å; E165-R212 IonicContact OE2-CZ 3.23Å; E165-R212 IonicContact OE2-NE 2.94Å; E165-R212 PolarHBondContact OE2-NE 2.77Å; E165-R212 IonicContact OE2-NH2 2.71Å; E165-R212 PolarHBondContact OE2-NH2 2.85Å; L203-R212 HydrophobicContact CD2-CB 4.1Å; R212-R214 HydrophobicContact CG-CG 4.5Å; R212-R214 VanDerWaalsContact NE-NE 3.14Å
213	M	95.4	Very high	94.1	Very high	7 Å²	7	43.2 Å²	43.2	3%	0.034	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	129.1	168.8	-176.6	173.5	-74.6	0	0	109.5	L155 I158 C162 W163 Y164 A284 I287 Q288 L291	L155-M213 HydrophobicContact CD1-CE 3.9Å; I158-M213 HydrophobicContact CD1-CE 4.49Å; C162-M213 HydrophobicContact CB-CG 4.35Å; C162-M213 HydrophobicContact CB-SD 4.35Å; W163-M213 WeakPolarHBondContact O-CA 3.46Å; Y164-M213 HydrophobicContact CD1-CB 4.24Å; Y164-M213 HydrophobicContact CE1-CB 4.07Å; Y164-M213 HydrophobicContact CE1-CE 3.57Å; Y164-M213 WeakPolarHBondContact OH-CE 3.46Å; M213-A284 HydrophobicContact CG-CB 4.38Å; M213-A284 WeakPolarHBondContact O-CB 3.46Å; M213-I287 HydrophobicContact SD-CG2 4.26Å; M213-Q288 HydrophobicContact CE-CB 4.28Å; M213-Q288 HydrophobicContact SD-CB 4.07Å; M213-L291 HydrophobicContact CE-CD1 3.88Å
214	R	97.1	Very high	94.3	Very high	1 Å²	1	42.2 Å²	42.2	0%	0.004	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	147.1	169.9	-66.5	-59.8	-153.3	162.6	15.9	109.1	C162 W163 E165 R212 D278 D281	C162-R214 CarbonylContact C-O 3.56Å; C162-R214 WeakPolarHBondContact CA-O 3.38Å; C162-R214 WeakPolarHBondContact CB-O 3.23Å; W163-R214 HydrophobicContact CD2-CB 3.86Å; W163-R214 HydrophobicContact CE3-CB 4.15Å; W163-R214 HydrophobicContact CH2-CB 3.87Å; W163-R214 HydrophobicContact CZ2-CB 3.55Å; W163-R214 HydrophobicContact CZ2-CG 4.18Å; W163-R214 HydrophobicContact CZ3-CB 4.15Å; W163-R214 PolarHBondContact N-O 2.74Å; W163-R214 PolarHBondContact O-N 2.88Å; E165-R214 HydrophobicContact CB-CG 3.99Å; E165-R214 WeakPolarHBondContact OE2-CG 3.39Å; E165-R214 IonicContact OE2-CZ 2.92Å; E165-R214 IonicContact OE2-NE 3.92Å; E165-R214 PolarHBondContact OE2-NE 3.49Å; E165-R214 IonicContact OE2-NH2 2.85Å; R212-R214 HydrophobicContact CG-CG 4.5Å; R212-R214 VanDerWaalsContact NE-NE 3.14Å; R214-D278 IonicContact CZ-OD1 2.59Å; R214-D278 VanDerWaalsContact CZ-OD1 3.26Å; R214-D278 IonicContact NH1-OD1 2.63Å; R214-D278 PolarHBondContact NH1-OD1 3.13Å; R214-D278 IonicContact NH2-OD1 2.86Å; R214-D278 PolarHBondContact NH2-OD1 3.12Å; R214-D281 IonicContact CZ-OD1 2.98Å; R214-D281 IonicContact CZ-OD2 3.9Å; R214-D281 IonicContact NE-OD1 3.57Å; R214-D281 IonicContact NH1-OD1 3.28Å; R214-D281 PolarHBondContact NH1-OD1 3.47Å; R214-D281 IonicContact NH1-OD2 3.23Å; R214-D281 PolarHBondContact NH1-OD2 3.09Å
215	C	97.4	Very high	94.6	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.007	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	146.1	177.7	-62.8	0	0	0	0	111.1	P161 C162 A284 I306	P161-C215 CarbonylContact O-C 3.57Å; P161-C215 WeakPolarHBondContact O-CA 3.28Å; C162-C215 HydrophobicContact CB-CB 4.13Å; C162-C215 WeakPolarHBondContact CB-SG 3.36Å; C162-C215 WeakPolarHBondContact SG-CB 3.31Å; C162-C215 CovalentContact SG-SG 2.04Å; C162-C215 PolarHBondContact SG-SG 3.4Å; C215-A284 HydrophobicContact CB-CB 4.17Å; C215-I306 HydrophobicContact CB-CD1 3.65Å
216	L	98	Very high	94.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	16%	0.164	C	C	.	.			trans	-94	161	165.1	-69	163.5	0	0	0	110.7	I150 F154 N160 P161 W163 Y276 L277 Q344	I150-L216 HydrophobicContact CD1-CD1 4.39Å; I150-L216 HydrophobicContact CD1-CD2 4.21Å; I150-L216 HydrophobicContact CG2-CD1 3.78Å; F154-L216 HydrophobicContact CE1-CD1 4.1Å; F154-L216 HydrophobicContact CZ-CD1 3.98Å; N160-L216 PolarHBondContact ND2-O 2.82Å; P161-L216 HydrophobicContact CB-CB 4.21Å; P161-L216 HydrophobicContact CG-CB 4.26Å; P161-L216 PolarHBondContact O-N 3.45Å; W163-L216 HydrophobicContact CH2-CG 4.27Å; W163-L216 HydrophobicContact CZ3-CD1 4.21Å; W163-L216 HydrophobicContact CZ3-CG 3.98Å; L216-Y276 HydrophobicContact CD2-CE1 4.47Å; L216-L277 HydrophobicContact CD2-CD2 3.72Å; L216-L277 HydrophobicContact CG-CD2 4.45Å; L216-Q344 HydrophobicContact CB-CG 4.45Å; L216-Q344 HydrophobicContact CD1-CG 3.75Å
217	P	97.9	Very high	95.3	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.141	C	C	.	.			trans	-57.2	139.1	171.6	-22.7	32	0	0	0	112.2	Y220 F280 I306 E308 Q344	P217-Y220 HydrophobicContact CB-CD1 4.47Å; P217-Y220 HydrophobicContact CB-CE1 3.91Å; P217-Y220 HydrophobicContact CB-CE2 4.03Å; P217-Y220 WeakPolarHBondContact CD-OH 3.47Å; P217-Y220 HydrophobicContact CG-CE1 3.76Å; P217-F280 HydrophobicContact CG-CE1 3.69Å; P217-F280 HydrophobicContact CG-CE2 4.16Å; P217-F280 HydrophobicContact CG-CZ 3.46Å; P217-F280 VanDerWaalsContact CG-CZ 3.46Å; P217-I306 CarbonylContact C-O 3.51Å; P217-I306 WeakPolarHBondContact CA-O 3.29Å; P217-E308 HydrophobicContact CB-CB 4.04Å; P217-E308 HydrophobicContact CG-CB 3.66Å; P217-E308 HydrophobicContact CG-CG 4.5Å; P217-Q344 PolarHBondContact O-NE2 3.29Å
218	Y	97.7	Very high	95.9	Very high	28 Å²	28	24.3 Å²	24.3	11%	0.11	11%	0.11	C	C	.	.	S	Bend	trans	-73.9	-35.7	167.9	178.1	-112.4	0	0	0	110.9	K159 N160 I305 I306 R348 L458	K159-Y218 HydrophobicContact CB-CD2 4.07Å; K159-Y218 HydrophobicContact CB-CE2 4.07Å; K159-Y218 WeakPolarHBondContact O-CD2 3.43Å; N160-Y218 PolarHBondContact ND2-N 2.8Å; N160-Y218 VanDerWaalsContact ND2-N 3.16Å; Y218-I305 HydrophobicContact CD1-CB 3.85Å; Y218-I305 HydrophobicContact CD1-CD1 4.01Å; Y218-I305 HydrophobicContact CD1-CG2 3.67Å; Y218-I305 HydrophobicContact CE1-CD1 4.42Å; Y218-I305 HydrophobicContact CE1-CG2 4.1Å; Y218-I305 HydrophobicContact CG-CB 4.2Å; Y218-I305 HydrophobicContact CG-CG2 4.02Å; Y218-I306 PolarHBondContact N-O 2.84Å; Y218-R348 PolarHBondContact O-N 2.86Å; Y218-R348 PolarHBondContact OH-NE 3.22Å; Y218-L458 HydrophobicContact CE1-CD2 4.42Å
219	F	98.6	Very high	96.5	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	161.9	-179.6	74.7	-80.5	0	0	0	112.6	I221 L236 V242 F244 I305 I306 G307 E308 R348 I350 L458	F219-I221 HydrophobicContact CD2-CG1 4.49Å; F219-I221 HydrophobicContact CE2-CD1 4.47Å; F219-I221 HydrophobicContact CE2-CG1 4.12Å; F219-L236 HydrophobicContact CE2-CD1 4.19Å; F219-L236 HydrophobicContact CZ-CD1 4.46Å; F219-V242 HydrophobicContact CE1-CG1 4.11Å; F219-V242 HydrophobicContact CZ-CG1 3.89Å; F219-F244 HydrophobicContact CE2-CE1 4.11Å; F219-F244 HydrophobicContact CE2-CZ 4.01Å; F219-F244 AromaticContact CZ-CE1 3.96Å; F219-F244 HydrophobicContact CZ-CE1 3.96Å; F219-F244 HydrophobicContact CZ-CE2 4.43Å; F219-F244 AromaticContact CZ-CZ 3.7Å; F219-F244 HydrophobicContact CZ-CZ 3.7Å; F219-I305 HydrophobicContact CD1-CD1 3.98Å; F219-I305 HydrophobicContact CD1-CG1 4.47Å; F219-I305 HydrophobicContact CE1-CD1 3.82Å; F219-I305 HydrophobicContact CE1-CG1 4.1Å; F219-I306 PolarHBondContact N-O 2.83Å; F219-G307 WeakPolarHBondContact O-CA 3.29Å; F219-E308 PolarHBondContact O-N 3.18Å; F219-R348 CarbonylContact C-O 3.57Å; F219-R348 WeakPolarHBondContact CA-O 3.49Å; F219-R348 HydrophobicContact CB-CB 4.05Å; F219-I350 HydrophobicContact CD2-CD1 3.98Å; F219-I350 HydrophobicContact CE2-CD1 4.25Å; F219-L458 HydrophobicContact CB-CD2 3.54Å; F219-L458 HydrophobicContact CD1-CD1 4.14Å; F219-L458 HydrophobicContact CD1-CD2 3.95Å; F219-L458 HydrophobicContact CD2-CD1 4.1Å; F219-L458 HydrophobicContact CD2-CD2 4Å; F219-L458 HydrophobicContact CE1-CD1 4.06Å; F219-L458 HydrophobicContact CE2-CD1 4.02Å; F219-L458 HydrophobicContact CG-CD1 4.15Å; F219-L458 HydrophobicContact CG-CD2 3.56Å; F219-L458 HydrophobicContact CZ-CD1 3.99Å
220	Y	98.8	Very high	96.8	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	130.7	-178.8	-59.1	-99.8	0	0	0	111.3	P217 I222 W253 E308 I340 Q344 A347 R348 F349 I350	P217-Y220 HydrophobicContact CB-CD1 4.47Å; P217-Y220 HydrophobicContact CB-CE1 3.91Å; P217-Y220 HydrophobicContact CB-CE2 4.03Å; P217-Y220 WeakPolarHBondContact CD-OH 3.47Å; P217-Y220 HydrophobicContact CG-CE1 3.76Å; Y220-I222 VanDerWaalsContact CB-CG2 3.42Å; Y220-I222 HydrophobicContact CG-CG2 4.42Å; Y220-I222 PolarHBondContact O-N 2.66Å; Y220-W253 AromaticContact CE1-NE1 3.67Å; Y220-E308 CarbonylContact C-O 3.53Å; Y220-E308 VanDerWaalsContact CA-O 3.31Å; Y220-E308 WeakPolarHBondContact CA-O 3.29Å; Y220-E308 HydrophobicContact CD1-CB 3.73Å; Y220-E308 HydrophobicContact CD1-CG 4.31Å; Y220-E308 HydrophobicContact CE1-CB 3.98Å; Y220-E308 HydrophobicContact CE1-CG 4.46Å; Y220-I340 HydrophobicContact CE2-CG2 4.36Å; Y220-Q344 VanDerWaalsContact OH-CD 3.24Å; Y220-Q344 PolarHBondContact OH-NE2 3.16Å; Y220-Q344 PolarHBondContact OH-OE1 3.27Å; Y220-A347 HydrophobicContact CD2-CB 4.35Å; Y220-A347 HydrophobicContact CE2-CB 3.99Å; Y220-R348 PolarHBondContact N-O 2.97Å; Y220-F349 HydrophobicContact CD2-CD1 4.09Å; Y220-F349 AromaticContact CD2-CE1 3.63Å; Y220-F349 HydrophobicContact CD2-CE1 3.63Å; Y220-F349 HydrophobicContact CD2-CZ 4.41Å; Y220-F349 HydrophobicContact CE2-CE1 4.35Å; Y220-F349 HydrophobicContact CG-CD1 4.29Å; Y220-F349 HydrophobicContact CG-CE1 4.08Å; Y220-F349 CarbonylContact O-C 3.51Å; Y220-F349 WeakPolarHBondContact O-CA 3.45Å; Y220-I350 PolarHBondContact O-N 3.2Å
221	I	98.8	Very high	97	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	92	164.9	-51.1	175.2	0	0	0	107.3	F219 T229 L232 L236 F244 E308 A309 S310 I350	F219-I221 HydrophobicContact CD2-CG1 4.49Å; F219-I221 HydrophobicContact CE2-CD1 4.47Å; F219-I221 HydrophobicContact CE2-CG1 4.12Å; I221-T229 HydrophobicContact CG2-CG2 4.08Å; I221-L232 HydrophobicContact CD1-CD2 4.32Å; I221-L232 HydrophobicContact CD1-CG 4.32Å; I221-L236 HydrophobicContact CD1-CD1 4Å; I221-F244 HydrophobicContact CD1-CE1 4.12Å; I221-F244 HydrophobicContact CD1-CZ 4.07Å; I221-E308 PolarHBondContact N-O 3.15Å; I221-A309 HydrophobicContact CB-CB 3.91Å; I221-A309 HydrophobicContact CD1-CB 4.06Å; I221-A309 HydrophobicContact CG1-CB 4.27Å; I221-A309 CarbonylContact O-C 3.52Å; I221-S310 CarbonylContact O-C 3.57Å; I221-S310 PolarHBondContact O-N 2.87Å; I221-I350 WeakPolarHBondContact CA-O 3.33Å; I221-I350 HydrophobicContact CG1-CB 4.46Å
222	I	98.5	Very high	97.1	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-15	-164.7	58.2	169.1	0	0	0	114.5	Y220 S310 A311 T313 M314 F349 I350 V351 W426	Y220-I222 VanDerWaalsContact CB-CG2 3.42Å; Y220-I222 HydrophobicContact CG-CG2 4.42Å; Y220-I222 PolarHBondContact O-N 2.66Å; I222-S310 CarbonylContact C-O 3.58Å; I222-A311 CarbonylContact O-C 3.56Å; I222-A311 WeakPolarHBondContact O-CA 3.32Å; I222-A311 VanDerWaalsContact O-O 3.07Å; I222-T313 HydrophobicContact CB-CG2 4.13Å; I222-T313 HydrophobicContact CG2-CG2 3.65Å; I222-M314 HydrophobicContact CB-CB 4.14Å; I222-M314 HydrophobicContact CD1-CB 4.08Å; I222-M314 HydrophobicContact CD1-CG 4.27Å; I222-M314 HydrophobicContact CD1-SD 4.2Å; I222-M314 HydrophobicContact CG1-CB 4.04Å; I222-M314 HydrophobicContact CG1-SD 4.38Å; I222-M314 WeakPolarHBondContact O-CB 3.23Å; I222-M314 PolarHBondContact O-N 3.29Å; I222-F349 HydrophobicContact CD1-CB 4.01Å; I222-F349 HydrophobicContact CD1-CD1 4.2Å; I222-F349 HydrophobicContact CD1-CG 4.34Å; I222-F349 HydrophobicContact CG1-CB 4.41Å; I222-F349 HydrophobicContact CG2-CD1 3.74Å; I222-F349 HydrophobicContact CG2-CE1 4.46Å; I222-I350 PolarHBondContact N-O 2.98Å; I222-I350 VanDerWaalsContact N-O 3.07Å; I222-V351 HydrophobicContact CD1-CG2 3.87Å; I222-V351 HydrophobicContact CG1-CG2 3.79Å; I222-W426 HydrophobicContact CD1-CD2 3.81Å; I222-W426 HydrophobicContact CD1-CE3 4.03Å; I222-W426 HydrophobicContact CD1-CG 4.46Å; I222-W426 HydrophobicContact CD1-CH2 3.95Å; I222-W426 HydrophobicContact CD1-CZ2 3.74Å; I222-W426 HydrophobicContact CD1-CZ3 4.11Å; I222-W426 HydrophobicContact CG2-CH2 4.19Å; I222-W426 HydrophobicContact CG2-CZ2 4.49Å
223	G	96.1	Very high	97.3	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.3	172.2	-175.5	0	0	0	0	0	113.3	T229 M352	G223-T229 VanDerWaalsContact O-CG2 3.29Å; G223-T229 WeakPolarHBondContact O-CG2 3.31Å; G223-M352 CarbonylContact C-O 3.5Å; G223-M352 PolarHBondContact O-N 2.77Å
224	Q	97.2	Very high	97.4	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.055	C	C	.	.			cis	-109.1	155.2	-5.4	-94.3	78.6	-22	0	0	110.2	K226 C227 T229 M314 M352 L353 Y419	Q224-K226 PolarHBondContact O-N 2.93Å; Q224-C227 HydrophobicContact CB-CB 4.3Å; Q224-C227 VanDerWaalsContact CB-SG 3.53Å; Q224-C227 VanDerWaalsContact O-CB 3.31Å; Q224-C227 WeakPolarHBondContact O-CB 3.43Å; Q224-C227 PolarHBondContact O-N 3.49Å; Q224-C227 VanDerWaalsContact O-N 3.16Å; Q224-T229 WeakPolarHBondContact O-CG2 3.19Å; Q224-M314 PolarHBondContact NE2-SD 3.42Å; Q224-M314 PolarHBondContact OE1-SD 2.92Å; Q224-M352 PolarHBondContact N-O 2.87Å; Q224-M352 PolarHBondContact OE1-O 3.07Å; Q224-L353 HydrophobicContact CB-CD2 4.37Å; Q224-L353 HydrophobicContact CG-CD2 4.11Å; Q224-L353 VanDerWaalsContact NE2-CD2 3.31Å; Q224-Y419 HydrophobicContact CB-CE1 4.08Å; Q224-Y419 HydrophobicContact CG-CD1 3.83Å; Q224-Y419 HydrophobicContact CG-CE1 3.72Å
225	P	96.7	Very high	97.3	Very high	18 Å²	18	9.9 Å²	9.9	12%	0.117	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	142.1	174.6	27.4	-35.7	0	0	0	109.9	C227 R359 V416	P225-C227 PolarHBondContact O-N 2.79Å; P225-C227 PolarHBondContact O-SG 3.07Å; P225-R359 WeakPolarHBondContact O-CG 3.39Å; P225-V416 HydrophobicContact CG-CG1 3.49Å; P225-V416 VanDerWaalsContact CG-CG1 3.49Å
226	K	96.1	Very high	97.3	Very high	34 Å²	34	9.8 Å²	9.8	15%	0.148	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	16.1	-178.1	-44.5	-52.7	-56.8	174.8	0	115.3	Q224 R359 S362 D363 Y366	Q224-K226 PolarHBondContact O-N 2.93Å; K226-R359 HydrophobicContact CB-CG 4.02Å; K226-S362 VanDerWaalsContact CE-O 3.3Å; K226-S362 WeakPolarHBondContact CE-O 3.34Å; K226-S362 VanDerWaalsContact CE-OG 3.31Å; K226-S362 WeakPolarHBondContact CE-OG 3.22Å; K226-D363 HydrophobicContact CG-CB 3.95Å; K226-D363 VanDerWaalsContact CG-OD1 3.3Å; K226-D363 WeakPolarHBondContact CG-OD1 3.48Å; K226-Y366 HydrophobicContact CD-CG 4.22Å
227	C	97.4	Very high	97.1	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	16.7	176.5	-55.2	0	0	0	0	113.5	Q224 P225 M352 R354	Q224-C227 HydrophobicContact CB-CB 4.3Å; Q224-C227 VanDerWaalsContact CB-SG 3.53Å; Q224-C227 VanDerWaalsContact O-CB 3.31Å; Q224-C227 WeakPolarHBondContact O-CB 3.43Å; Q224-C227 PolarHBondContact O-N 3.49Å; Q224-C227 VanDerWaalsContact O-N 3.16Å; P225-C227 PolarHBondContact O-N 2.79Å; P225-C227 PolarHBondContact O-SG 3.07Å; C227-M352 HydrophobicContact CB-CB 4.19Å; C227-M352 WeakPolarHBondContact CB-O 3.47Å; C227-M352 WeakPolarHBondContact O-CB 3.27Å; C227-M352 VanDerWaalsContact O-CE 3.26Å; C227-M352 WeakPolarHBondContact O-CE 3.45Å; C227-R354 HydrophobicContact CB-CB 4.16Å
228	G	96.1	Very high	96.9	Very high	21 Å²	21	19.8 Å²	19.8	22%	0.216	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.2	8.3	176.8	0	0	0	0	0	116	T230 D231 L232 M352	G228-T230 PolarHBondContact O-N 3.43Å; G228-D231 WeakPolarHBondContact O-CB 3.33Å; G228-D231 PolarHBondContact O-N 3.07Å; G228-L232 PolarHBondContact O-N 2.77Å; G228-L232 VanDerWaalsContact O-N 3.11Å; G228-M352 VanDerWaalsContact C-SD 3.54Å
229	T	97.3	Very high	96.8	Very high	5 Å²	5	18.5 Å²	18.5	3%	0.031	9%	0.092	C	C	.	.	H	α-helix	trans	-55.5	-29.1	-179.2	57	0	0	0	0	114.7	I221 G223 Q224 Y233 A311 M352	I221-T229 HydrophobicContact CG2-CG2 4.08Å; G223-T229 VanDerWaalsContact O-CG2 3.29Å; G223-T229 WeakPolarHBondContact O-CG2 3.31Å; Q224-T229 WeakPolarHBondContact O-CG2 3.19Å; T229-Y233 VanDerWaalsContact O-CB 3.23Å; T229-Y233 WeakPolarHBondContact O-CB 3.37Å; T229-Y233 PolarHBondContact O-N 3.15Å; T229-A311 HydrophobicContact CG2-CB 4.22Å; T229-M352 HydrophobicContact CG2-CB 4.23Å
230	T	96.6	Very high	96.5	Very high	27 Å²	27	21.3 Å²	21.3	17%	0.166	11%	0.11	C	C	.	.	H	α-helix	trans	-72.5	-40.2	176.3	-52.3	0	0	0	0	111.7	G228 Y233 D234 K248 N478	G228-T230 PolarHBondContact O-N 3.43Å; T230-Y233 PolarHBondContact O-N 3.21Å; T230-D234 WeakPolarHBondContact O-CB 3.44Å; T230-D234 PolarHBondContact O-N 3.33Å; T230-K248 HydrophobicContact CG2-CD 4.38Å; T230-N478 HydrophobicContact CG2-CB 4.01Å; T230-N478 PolarHBondContact OG1-ND2 2.8Å
231	D	96.8	Very high	96.3	Very high	12 Å²	12	23.2 Å²	23.2	6%	0.064	12%	0.12	C	C	.	.	H	α-helix	trans	-63.5	-47.8	175.8	179.9	80.3	0	0	0	110.6	G228 Y233 D234 R235 H443 A476 S477	G228-D231 WeakPolarHBondContact O-CB 3.33Å; G228-D231 PolarHBondContact O-N 3.07Å; D231-Y233 PolarHBondContact O-N 2.77Å; D231-D234 PolarHBondContact O-N 2.95Å; D231-R235 VanDerWaalsContact CG-NE 3.29Å; D231-R235 WeakPolarHBondContact O-CB 3.38Å; D231-R235 WeakPolarHBondContact O-CG 3.32Å; D231-R235 PolarHBondContact O-N 3.13Å; D231-R235 IonicContact OD1-CZ 3.79Å; D231-R235 IonicContact OD1-NE 3.82Å; D231-R235 PolarHBondContact OD1-NE 3.04Å; D231-R235 VanDerWaalsContact OD1-NE 3.16Å; D231-R235 IonicContact OD1-NH2 2.71Å; D231-R235 PolarHBondContact OD1-NH2 2.92Å; D231-R235 WeakPolarHBondContact OD2-CD 3.4Å; D231-R235 IonicContact OD2-CZ 3.67Å; D231-R235 IonicContact OD2-NE 2.77Å; D231-R235 PolarHBondContact OD2-NE 2.87Å; D231-R235 IonicContact OD2-NH2 3.84Å; D231-H443 IonicContact OD2-CD2 2.87Å; D231-H443 IonicContact OD2-CE1 3.12Å; D231-H443 IonicContact OD2-NE2 2.66Å; D231-H443 PolarHBondContact OD2-NE2 2.66Å; D231-A476 VanDerWaalsContact OD1-CA 3.28Å; D231-A476 WeakPolarHBondContact OD1-CA 3.31Å; D231-S477 PolarHBondContact OD1-N 3.47Å
232	L	97.5	Very high	96.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-58.9	-46.5	174.9	179.6	63.3	0	0	0	112	I221 G228 D234 R235 L236 I350 M352 L438 L451 V454	I221-L232 HydrophobicContact CD1-CD2 4.32Å; I221-L232 HydrophobicContact CD1-CG 4.32Å; G228-L232 PolarHBondContact O-N 2.77Å; G228-L232 VanDerWaalsContact O-N 3.11Å; L232-D234 PolarHBondContact O-N 2.75Å; L232-R235 PolarHBondContact O-N 2.96Å; L232-L236 HydrophobicContact CD1-CD1 4.02Å; L232-L236 HydrophobicContact CD1-CD2 4.5Å; L232-L236 HydrophobicContact CD1-CG 3.99Å; L232-L236 HydrophobicContact CG-CD1 3.99Å; L232-L236 HydrophobicContact CG-CG 4.32Å; L232-L236 WeakPolarHBondContact O-CB 3.44Å; L232-L236 VanDerWaalsContact O-CG 3.29Å; L232-L236 WeakPolarHBondContact O-CG 3.38Å; L232-L236 PolarHBondContact O-N 2.67Å; L232-I350 HydrophobicContact CD2-CG2 3.8Å; L232-M352 HydrophobicContact CB-SD 3.55Å; L232-M352 VanDerWaalsContact CB-SD 3.55Å; L232-M352 HydrophobicContact CD2-CG 3.87Å; L232-M352 HydrophobicContact CD2-SD 3.74Å; L232-M352 HydrophobicContact CG-SD 4.25Å; L232-L438 HydrophobicContact CD2-CD1 4.34Å; L232-L451 HydrophobicContact CD1-CD2 4.06Å; L232-V454 HydrophobicContact CD1-CG2 4.24Å
233	Y	97.7	Very high	96	Very high	18 Å²	18	26.1 Å²	26.1	7%	0.071	13%	0.133	C	C	.	.	H	α-helix	trans	-56.9	-48.8	175.8	166.6	-90.2	0	0	0	112.4	T229 T230 D231 R235 L236 R237 F244 K248 A309	T229-Y233 VanDerWaalsContact O-CB 3.23Å; T229-Y233 WeakPolarHBondContact O-CB 3.37Å; T229-Y233 PolarHBondContact O-N 3.15Å; T230-Y233 PolarHBondContact O-N 3.21Å; D231-Y233 PolarHBondContact O-N 2.77Å; Y233-R235 VanDerWaalsContact C-N 3.31Å; Y233-R235 PolarHBondContact O-N 2.74Å; Y233-L236 PolarHBondContact O-N 2.81Å; Y233-R237 WeakPolarHBondContact O-CB 3.44Å; Y233-R237 PolarHBondContact O-N 3.18Å; Y233-F244 AromaticContact CD2-CD1 3.59Å; Y233-F244 HydrophobicContact CD2-CD1 3.59Å; Y233-F244 HydrophobicContact CD2-CD2 4.1Å; Y233-F244 AromaticContact CD2-CE1 3.56Å; Y233-F244 HydrophobicContact CD2-CE1 3.56Å; Y233-F244 HydrophobicContact CD2-CE2 4.06Å; Y233-F244 AromaticContact CD2-CG 3.87Å; Y233-F244 HydrophobicContact CD2-CG 3.87Å; Y233-F244 AromaticContact CD2-CZ 3.81Å; Y233-F244 HydrophobicContact CD2-CZ 3.81Å; Y233-F244 HydrophobicContact CE2-CB 3.73Å; Y233-F244 AromaticContact CE2-CD1 3.4Å; Y233-F244 HydrophobicContact CE2-CD1 3.4Å; Y233-F244 AromaticContact CE2-CD2 3.82Å; Y233-F244 HydrophobicContact CE2-CD2 3.82Å; Y233-F244 AromaticContact CE2-CE1 3.91Å; Y233-F244 HydrophobicContact CE2-CE1 3.91Å; Y233-F244 HydrophobicContact CE2-CE2 4.27Å; Y233-F244 AromaticContact CE2-CG 3.36Å; Y233-F244 HydrophobicContact CE2-CG 3.36Å; Y233-F244 HydrophobicContact CE2-CZ 4.31Å; Y233-K248 HydrophobicContact CD1-CB 4.2Å; Y233-K248 HydrophobicContact CD1-CD 3.83Å; Y233-K248 HydrophobicContact CD1-CG 4Å; Y233-K248 HydrophobicContact CD2-CB 4.3Å; Y233-K248 HydrophobicContact CD2-CD 4.29Å; Y233-K248 HydrophobicContact CD2-CG 3.78Å; Y233-K248 HydrophobicContact CE1-CB 3.86Å; Y233-K248 HydrophobicContact CE1-CD 4.35Å; Y233-K248 HydrophobicContact CE1-CG 4.17Å; Y233-K248 HydrophobicContact CE2-CB 3.92Å; Y233-K248 HydrophobicContact CE2-CG 3.9Å; Y233-K248 HydrophobicContact CG-CB 4.42Å; Y233-K248 HydrophobicContact CG-CD 3.8Å; Y233-K248 HydrophobicContact CG-CG 3.82Å; Y233-A309 HydrophobicContact CD2-CB 3.54Å; Y233-A309 HydrophobicContact CE2-CB 4.22Å; Y233-A309 HydrophobicContact CG-CB 4.33Å
234	D	96.8	Very high	96	Very high	40 Å²	40	27 Å²	27	21%	0.214	14%	0.137	C	C	.	.	H	α-helix	trans	-66.4	-35.7	-176.9	-77.9	-33	0	0	0	111.8	T230 D231 L232 R237 S477	T230-D234 WeakPolarHBondContact O-CB 3.44Å; T230-D234 PolarHBondContact O-N 3.33Å; D231-D234 PolarHBondContact O-N 2.95Å; L232-D234 PolarHBondContact O-N 2.75Å; D234-R237 IonicContact OD1-NH2 2.87Å; D234-S477 WeakPolarHBondContact OD2-CB 3.41Å; D234-S477 PolarHBondContact OD2-OG 2.53Å
235	R	96.1	Very high	95.8	Very high	3 Å²	3	27.3 Å²	27.3	1%	0.011	14%	0.139	C	C	.	.	H	α-helix	trans	-68.9	-46.6	174.2	-72	178.1	-166.8	-73.8	-10.4	112.4	D231 L232 Y233 R237 L238 M447 L451 I471 T472 S474	D231-R235 VanDerWaalsContact CG-NE 3.29Å; D231-R235 WeakPolarHBondContact O-CB 3.38Å; D231-R235 WeakPolarHBondContact O-CG 3.32Å; D231-R235 PolarHBondContact O-N 3.13Å; D231-R235 IonicContact OD1-CZ 3.79Å; D231-R235 IonicContact OD1-NE 3.82Å; D231-R235 PolarHBondContact OD1-NE 3.04Å; D231-R235 VanDerWaalsContact OD1-NE 3.16Å; D231-R235 IonicContact OD1-NH2 2.71Å; D231-R235 PolarHBondContact OD1-NH2 2.92Å; D231-R235 WeakPolarHBondContact OD2-CD 3.4Å; D231-R235 IonicContact OD2-CZ 3.67Å; D231-R235 IonicContact OD2-NE 2.77Å; D231-R235 PolarHBondContact OD2-NE 2.87Å; D231-R235 IonicContact OD2-NH2 3.84Å; L232-R235 PolarHBondContact O-N 2.96Å; Y233-R235 VanDerWaalsContact C-N 3.31Å; Y233-R235 PolarHBondContact O-N 2.74Å; R235-R237 PolarHBondContact O-N 3.37Å; R235-L238 WeakPolarHBondContact O-CB 3.22Å; R235-L238 PolarHBondContact O-N 3.21Å; R235-M447 PolarHBondContact NE-SD 3.02Å; R235-M447 VanDerWaalsContact NE-SD 3.4Å; R235-M447 PolarHBondContact NH1-SD 3.14Å; R235-L451 HydrophobicContact CB-CD2 4.32Å; R235-I471 HydrophobicContact CB-CG2 3.86Å; R235-I471 HydrophobicContact CG-CG2 4.32Å; R235-I471 PolarHBondContact NH1-O 2.8Å; R235-T472 PolarHBondContact NH1-O 3.43Å; R235-S474 PolarHBondContact NH1-O 2.72Å; R235-S474 VanDerWaalsContact NH1-O 3.12Å; R235-S474 PolarHBondContact NH1-OG 3.07Å; R235-S474 PolarHBondContact NH2-O 3.02Å
236	L	96.1	Very high	95.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-62.8	-33.4	177.6	-71.2	-179.8	0	0	0	111.9	F219 I221 L232 Y233 L238 H239 V242 F244 V454 F455	F219-L236 HydrophobicContact CE2-CD1 4.19Å; F219-L236 HydrophobicContact CZ-CD1 4.46Å; I221-L236 HydrophobicContact CD1-CD1 4Å; L232-L236 HydrophobicContact CD1-CD1 4.02Å; L232-L236 HydrophobicContact CD1-CD2 4.5Å; L232-L236 HydrophobicContact CD1-CG 3.99Å; L232-L236 HydrophobicContact CG-CD1 3.99Å; L232-L236 HydrophobicContact CG-CG 4.32Å; L232-L236 WeakPolarHBondContact O-CB 3.44Å; L232-L236 VanDerWaalsContact O-CG 3.29Å; L232-L236 WeakPolarHBondContact O-CG 3.38Å; L232-L236 PolarHBondContact O-N 2.67Å; Y233-L236 PolarHBondContact O-N 2.81Å; L236-L238 PolarHBondContact O-N 3.15Å; L236-L238 VanDerWaalsContact O-N 3.16Å; L236-H239 VanDerWaalsContact O-CB 3.25Å; L236-H239 WeakPolarHBondContact O-CB 3.42Å; L236-H239 PolarHBondContact O-N 2.98Å; L236-V242 HydrophobicContact CB-CG1 4.37Å; L236-V242 WeakPolarHBondContact O-CB 3.45Å; L236-F244 HydrophobicContact CB-CE2 3.84Å; L236-F244 HydrophobicContact CB-CZ 4Å; L236-F244 HydrophobicContact CD1-CZ 4.31Å; L236-V454 HydrophobicContact CD1-CG1 4.05Å; L236-V454 HydrophobicContact CD2-CG1 3.74Å; L236-V454 HydrophobicContact CG-CG1 4.48Å; L236-F455 HydrophobicContact CD2-CD1 4.24Å; L236-F455 HydrophobicContact CD2-CE1 3.69Å
237	R	94.4	Very high	95.1	Very high	146 Å²	146	27.3 Å²	27.3	55%	0.551	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-19.2	175.4	-171.1	172.3	65.2	131.5	1.3	113.7	Y233 D234 R235 F244	Y233-R237 WeakPolarHBondContact O-CB 3.44Å; Y233-R237 PolarHBondContact O-N 3.18Å; D234-R237 IonicContact OD1-NH2 2.87Å; R235-R237 PolarHBondContact O-N 3.37Å; R237-F244 HydrophobicContact CB-CD2 4.26Å; R237-F244 HydrophobicContact CB-CE2 4.44Å
238	L	94.2	Very high	94.9	Very high	63 Å²	63	29 Å²	29	33%	0.33	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-12.4	174.7	-63.2	173.7	0	0	0	112.7	R235 L236 I471	R235-L238 WeakPolarHBondContact O-CB 3.22Å; R235-L238 PolarHBondContact O-N 3.21Å; L236-L238 PolarHBondContact O-N 3.15Å; L236-L238 VanDerWaalsContact O-N 3.16Å; L238-I471 HydrophobicContact CB-CG1 3.8Å
239	H	94.6	Very high	94.8	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.009	15%	0.152	C	C	.	.	S	Bend	trans	-71.3	130.9	174.7	-169.9	-66.5	0	0	0	109.9	L236 D241 V242 F455 L463 I471	L236-H239 VanDerWaalsContact O-CB 3.25Å; L236-H239 WeakPolarHBondContact O-CB 3.42Å; L236-H239 PolarHBondContact O-N 2.98Å; H239-D241 VanDerWaalsContact C-N 3.3Å; H239-D241 IonicContact CE1-OD2 3.03Å; H239-D241 PolarHBondContact ND1-N 2.72Å; H239-D241 VanDerWaalsContact ND1-N 3.17Å; H239-D241 PolarHBondContact O-N 3.02Å; H239-V242 HydrophobicContact CB-CB 4Å; H239-V242 HydrophobicContact CB-CG2 3.74Å; H239-V242 PolarHBondContact O-N 2.62Å; H239-V242 VanDerWaalsContact O-N 3.1Å; H239-F455 AromaticContact CD2-CD1 4Å; H239-F455 AromaticContact CD2-CE1 3.69Å; H239-F455 AromaticContact CD2-CZ 4Å; H239-L463 WeakPolarHBondContact NE2-CD2 3.41Å; H239-I471 HydrophobicContact CB-CD1 4.41Å
240	P	92.7	Very high	94.6	Very high	59 Å²	59	31 Å²	31	38%	0.383	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-41.9	-174	20.7	-33	0	0	0	112.9	V242 K243 L463 I467	P240-V242 VanDerWaalsContact C-N 3.35Å; P240-V242 PolarHBondContact O-N 2.86Å; P240-K243 PolarHBondContact O-NZ 3.37Å; P240-L463 HydrophobicContact CG-CD2 4.24Å; P240-I467 HydrophobicContact CG-CD1 4.27Å
241	D	93.8	Very high	94.5	Very high	39 Å²	39	30.9 Å²	30.9	21%	0.209	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	2.4	-177.9	-56.6	-17.9	0	0	0	114.1	H239 N303 V304 I305 L460	H239-D241 VanDerWaalsContact C-N 3.3Å; H239-D241 IonicContact CE1-OD2 3.03Å; H239-D241 PolarHBondContact ND1-N 2.72Å; H239-D241 VanDerWaalsContact ND1-N 3.17Å; H239-D241 PolarHBondContact O-N 3.02Å; D241-N303 HydrophobicContact CB-CB 4.45Å; D241-V304 CarbonylContact O-C 3.5Å; D241-V304 VanDerWaalsContact O-CA 3.24Å; D241-V304 WeakPolarHBondContact O-CA 3.06Å; D241-I305 PolarHBondContact O-N 3.05Å; D241-L460 HydrophobicContact CB-CD2 4.07Å
242	V	96.1	Very high	94.4	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.006	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	121.8	179.4	-178.4	0	0	0	0	109.5	F219 L236 H239 P240 F244 I305 L460	F219-V242 HydrophobicContact CE1-CG1 4.11Å; F219-V242 HydrophobicContact CZ-CG1 3.89Å; L236-V242 HydrophobicContact CB-CG1 4.37Å; L236-V242 WeakPolarHBondContact O-CB 3.45Å; H239-V242 HydrophobicContact CB-CB 4Å; H239-V242 HydrophobicContact CB-CG2 3.74Å; H239-V242 PolarHBondContact O-N 2.62Å; H239-V242 VanDerWaalsContact O-N 3.1Å; P240-V242 VanDerWaalsContact C-N 3.35Å; P240-V242 PolarHBondContact O-N 2.86Å; V242-F244 HydrophobicContact CG1-CD2 4.08Å; V242-F244 HydrophobicContact CG1-CE2 3.59Å; V242-F244 HydrophobicContact CG1-CZ 4.21Å; V242-I305 HydrophobicContact CG2-CD1 4.15Å; V242-I305 HydrophobicContact CG2-CG1 4Å; V242-L460 HydrophobicContact CG2-CD1 3.62Å; V242-L460 HydrophobicContact CG2-CD2 4.13Å
243	K	96.3	Very high	94.3	Very high	60 Å²	60	30.6 Å²	30.6	26%	0.261	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	159.2	169.6	-53	-58.1	169.7	-149.6	0	109.1	P240 A283 V304 I305 I306 G307	P240-K243 PolarHBondContact O-NZ 3.37Å; K243-A283 HydrophobicContact CB-CB 3.8Å; K243-A283 HydrophobicContact CG-CB 4.38Å; K243-V304 HydrophobicContact CB-CG1 4.43Å; K243-V304 HydrophobicContact CG-CG1 3.62Å; K243-I305 PolarHBondContact N-O 3.02Å; K243-I306 CarbonylContact O-C 3.45Å; K243-I306 WeakPolarHBondContact O-CA 3.48Å; K243-G307 PolarHBondContact O-N 3.23Å
244	F	96.2	Very high	94.1	Very high	19 Å²	19	29.8 Å²	29.8	8%	0.083	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	169.7	175.4	-81.7	-86.7	0	0	0	110	F219 I221 Y233 L236 R237 V242 G307 A309	F219-F244 HydrophobicContact CE2-CE1 4.11Å; F219-F244 HydrophobicContact CE2-CZ 4.01Å; F219-F244 AromaticContact CZ-CE1 3.96Å; F219-F244 HydrophobicContact CZ-CE1 3.96Å; F219-F244 HydrophobicContact CZ-CE2 4.43Å; F219-F244 AromaticContact CZ-CZ 3.7Å; F219-F244 HydrophobicContact CZ-CZ 3.7Å; I221-F244 HydrophobicContact CD1-CE1 4.12Å; I221-F244 HydrophobicContact CD1-CZ 4.07Å; Y233-F244 AromaticContact CD2-CD1 3.59Å; Y233-F244 HydrophobicContact CD2-CD1 3.59Å; Y233-F244 HydrophobicContact CD2-CD2 4.1Å; Y233-F244 AromaticContact CD2-CE1 3.56Å; Y233-F244 HydrophobicContact CD2-CE1 3.56Å; Y233-F244 HydrophobicContact CD2-CE2 4.06Å; Y233-F244 AromaticContact CD2-CG 3.87Å; Y233-F244 HydrophobicContact CD2-CG 3.87Å; Y233-F244 AromaticContact CD2-CZ 3.81Å; Y233-F244 HydrophobicContact CD2-CZ 3.81Å; Y233-F244 HydrophobicContact CE2-CB 3.73Å; Y233-F244 AromaticContact CE2-CD1 3.4Å; Y233-F244 HydrophobicContact CE2-CD1 3.4Å; Y233-F244 AromaticContact CE2-CD2 3.82Å; Y233-F244 HydrophobicContact CE2-CD2 3.82Å; Y233-F244 AromaticContact CE2-CE1 3.91Å; Y233-F244 HydrophobicContact CE2-CE1 3.91Å; Y233-F244 HydrophobicContact CE2-CE2 4.27Å; Y233-F244 AromaticContact CE2-CG 3.36Å; Y233-F244 HydrophobicContact CE2-CG 3.36Å; Y233-F244 HydrophobicContact CE2-CZ 4.31Å; L236-F244 HydrophobicContact CB-CE2 3.84Å; L236-F244 HydrophobicContact CB-CZ 4Å; L236-F244 HydrophobicContact CD1-CZ 4.31Å; R237-F244 HydrophobicContact CB-CD2 4.26Å; R237-F244 HydrophobicContact CB-CE2 4.44Å; V242-F244 HydrophobicContact CG1-CD2 4.08Å; V242-F244 HydrophobicContact CG1-CE2 3.59Å; V242-F244 HydrophobicContact CG1-CZ 4.21Å; F244-G307 VanDerWaalsContact CA-O 3.31Å; F244-G307 WeakPolarHBondContact CA-O 3.46Å; F244-G307 VanDerWaalsContact CD1-C 3.4Å; F244-G307 WeakPolarHBondContact CD1-O 3.4Å; F244-A309 HydrophobicContact CD1-CB 4.37Å; F244-A309 HydrophobicContact CE1-CB 4.07Å
245	A	91.8	Very high	93.7	Very high	6 Å²	6	31.7 Å²	31.7	5%	0.05	15%	0.148	C	C	.	.			trans	-46.3	154.2	159.7	0	0	0	0	0	111.3	F247 L279 F280 G307	A245-F247 PolarHBondContact O-N 3Å; A245-L279 CarbonylContact C-O 3.49Å; A245-L279 WeakPolarHBondContact CA-O 3.31Å; A245-L279 HydrophobicContact CB-CB 4.2Å; A245-F280 HydrophobicContact CB-CD1 4.09Å; A245-F280 HydrophobicContact CB-CE1 3.56Å; A245-F280 HydrophobicContact CB-CZ 4.18Å; A245-G307 PolarHBondContact N-O 2.91Å
246	T	89.3	Confident	93.5	Very high	35 Å²	35	33.1 Å²	33.1	22%	0.215	15%	0.154	C	C	.	.	S	Bend	trans	-45.2	-28.6	176.4	-64.9	0	0	0	0	114.1	V191 L279	V191-T246 HydrophobicContact CB-CG2 3.65Å; V191-T246 HydrophobicContact CG1-CG2 3.24Å; V191-T246 HydrophobicContact CG2-CG2 4.08Å; T246-L279 PolarHBondContact N-O 3.04Å; T246-L279 PolarHBondContact OG1-O 3.26Å; T246-L279 VanDerWaalsContact OG1-O 3.04Å
247	F	88.8	Confident	93.2	Very high	18 Å²	18	33.7 Å²	33.7	8%	0.079	16%	0.156	C	C	.	.	S	Bend	trans	-149.8	157.7	169.3	45.3	-91.6	0	0	0	111.5	Y181 F188 A245 P250 L279	Y181-F247 HydrophobicContact CD1-CE1 4.43Å; Y181-F247 AromaticContact CD1-CE2 3.75Å; Y181-F247 HydrophobicContact CD1-CE2 3.75Å; Y181-F247 AromaticContact CD1-CZ 3.3Å; Y181-F247 HydrophobicContact CD1-CZ 3.3Å; Y181-F247 AromaticContact CE1-CE2 4Å; Y181-F247 HydrophobicContact CE1-CE2 4Å; Y181-F247 AromaticContact CE1-CZ 3.9Å; Y181-F247 HydrophobicContact CE1-CZ 3.9Å; Y181-F247 AromaticContact CG-CZ 3.71Å; Y181-F247 HydrophobicContact CG-CZ 3.71Å; F188-F247 HydrophobicContact CB-CE1 4.37Å; F188-F247 HydrophobicContact CD1-CB 4.28Å; F188-F247 AromaticContact CD1-CD1 3.42Å; F188-F247 HydrophobicContact CD1-CD1 3.42Å; F188-F247 VanDerWaalsContact CD1-CD1 3.42Å; F188-F247 AromaticContact CD1-CE1 3.97Å; F188-F247 HydrophobicContact CD1-CE1 3.97Å; F188-F247 AromaticContact CD1-CG 3.92Å; F188-F247 HydrophobicContact CD1-CG 3.92Å; F188-F247 AromaticContact CD2-CD1 3.79Å; F188-F247 HydrophobicContact CD2-CD1 3.79Å; F188-F247 AromaticContact CD2-CE1 3.51Å; F188-F247 HydrophobicContact CD2-CE1 3.51Å; F188-F247 HydrophobicContact CD2-CE2 4.28Å; F188-F247 HydrophobicContact CD2-CG 4.35Å; F188-F247 AromaticContact CD2-CZ 3.8Å; F188-F247 HydrophobicContact CD2-CZ 3.8Å; F188-F247 HydrophobicContact CE1-CB 3.56Å; F188-F247 AromaticContact CE1-CD1 3.39Å; F188-F247 HydrophobicContact CE1-CD1 3.39Å; F188-F247 HydrophobicContact CE1-CD2 4.03Å; F188-F247 HydrophobicContact CE1-CE1 4.14Å; F188-F247 AromaticContact CE1-CG 3.36Å; F188-F247 HydrophobicContact CE1-CG 3.36Å; F188-F247 AromaticContact CE2-CD1 3.79Å; F188-F247 HydrophobicContact CE2-CD1 3.79Å; F188-F247 AromaticContact CE2-CD2 3.8Å; F188-F247 HydrophobicContact CE2-CD2 3.8Å; F188-F247 AromaticContact CE2-CE1 3.72Å; F188-F247 HydrophobicContact CE2-CE1 3.72Å; F188-F247 AromaticContact CE2-CE2 3.68Å; F188-F247 HydrophobicContact CE2-CE2 3.68Å; F188-F247 AromaticContact CE2-CG 3.87Å; F188-F247 HydrophobicContact CE2-CG 3.87Å; F188-F247 AromaticContact CE2-CZ 3.69Å; F188-F247 HydrophobicContact CE2-CZ 3.69Å; F188-F247 AromaticContact CG-CD1 3.66Å; F188-F247 HydrophobicContact CG-CD1 3.66Å; F188-F247 AromaticContact CG-CE1 3.69Å; F188-F247 HydrophobicContact CG-CE1 3.69Å; F188-F247 HydrophobicContact CG-CG 4.42Å; F188-F247 HydrophobicContact CG-CZ 4.44Å; F188-F247 HydrophobicContact CZ-CB 3.89Å; F188-F247 AromaticContact CZ-CD1 3.59Å; F188-F247 HydrophobicContact CZ-CD1 3.59Å; F188-F247 AromaticContact CZ-CD2 3.48Å; F188-F247 HydrophobicContact CZ-CD2 3.48Å; F188-F247 VanDerWaalsContact CZ-CD2 3.48Å; F188-F247 HydrophobicContact CZ-CE1 4.03Å; F188-F247 AromaticContact CZ-CE2 3.9Å; F188-F247 HydrophobicContact CZ-CE2 3.9Å; F188-F247 AromaticContact CZ-CG 3.34Å; F188-F247 HydrophobicContact CZ-CG 3.34Å; F188-F247 HydrophobicContact CZ-CZ 4.19Å; A245-F247 PolarHBondContact O-N 3Å; F247-P250 HydrophobicContact CE2-CB 4.12Å; F247-L279 HydrophobicContact CE1-CD1 4.44Å; F247-L279 HydrophobicContact CE1-CD2 3.49Å; F247-L279 VanDerWaalsContact CE1-CD2 3.49Å; F247-L279 HydrophobicContact CE2-CD1 4.13Å; F247-L279 HydrophobicContact CZ-CD1 3.72Å; F247-L279 HydrophobicContact CZ-CD2 3.48Å; F247-L279 VanDerWaalsContact CZ-CD2 3.48Å; F247-L279 HydrophobicContact CZ-CG 4.26Å
248	K	93.3	Very high	93	Very high	36 Å²	36	27.9 Å²	27.9	16%	0.157	14%	0.135	C	C	.	.	S	Bend	trans	-66.1	148.3	170.3	-158.7	-164.2	174.7	-60.6	0	110.4	T230 Y233 A309	T230-K248 HydrophobicContact CG2-CD 4.38Å; Y233-K248 HydrophobicContact CD1-CB 4.2Å; Y233-K248 HydrophobicContact CD1-CD 3.83Å; Y233-K248 HydrophobicContact CD1-CG 4Å; Y233-K248 HydrophobicContact CD2-CB 4.3Å; Y233-K248 HydrophobicContact CD2-CD 4.29Å; Y233-K248 HydrophobicContact CD2-CG 3.78Å; Y233-K248 HydrophobicContact CE1-CB 3.86Å; Y233-K248 HydrophobicContact CE1-CD 4.35Å; Y233-K248 HydrophobicContact CE1-CG 4.17Å; Y233-K248 HydrophobicContact CE2-CB 3.92Å; Y233-K248 HydrophobicContact CE2-CG 3.9Å; Y233-K248 HydrophobicContact CG-CB 4.42Å; Y233-K248 HydrophobicContact CG-CD 3.8Å; Y233-K248 HydrophobicContact CG-CG 3.82Å; K248-A309 HydrophobicContact CG-CB 3.89Å; K248-A309 WeakPolarHBondContact CG-O 3.33Å; K248-A309 PolarHBondContact NZ-O 3.31Å
249	E	94.1	Very high	92.5	Very high	65 Å²	65	24.9 Å²	24.9	30%	0.304	12%	0.119	S	C	.	.			trans	59.5	55.1	174.7	-50.1	-162.6	158.2	0	0	115.1	H251 A309 S310	E249-H251 PolarHBondContact O-CD2 3.11Å; E249-H251 PolarHBondContact O-N 3.44Å; E249-H251 IonicContact OE2-CE1 2.86Å; E249-H251 IonicContact OE2-NE2 2.81Å; E249-A309 WeakPolarHBondContact CG-O 3.38Å; E249-A309 PolarHBondContact N-O 3.16Å; E249-S310 WeakPolarHBondContact CA-OG 3.29Å
250	P	93.6	Very high	91.7	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.006	12%	0.123	C	C	.	.			trans	-54.2	-32.1	166.2	24.4	-35.7	0	0	0	112.9	Y181 F247 W252 K256 Y276 L279 E308 S310	Y181-P250 HydrophobicContact CE1-CB 4.18Å; Y181-P250 PolarHBondContact OH-O 2.98Å; F247-P250 HydrophobicContact CE2-CB 4.12Å; P250-W252 PolarHBondContact O-N 3.43Å; P250-K256 WeakPolarHBondContact O-CD 3.46Å; P250-K256 VanDerWaalsContact O-CE 3.32Å; P250-K256 WeakPolarHBondContact O-CE 3.21Å; P250-K256 PolarHBondContact O-NZ 3.35Å; P250-Y276 HydrophobicContact CB-CD2 4.44Å; P250-Y276 HydrophobicContact CB-CE2 4.47Å; P250-Y276 HydrophobicContact CG-CE2 4.18Å; P250-L279 HydrophobicContact CB-CD1 3.59Å; P250-L279 HydrophobicContact CG-CD1 4.43Å; P250-E308 WeakPolarHBondContact CD-OE1 3.26Å; P250-E308 HydrophobicContact CG-CG 3.85Å; P250-E308 WeakPolarHBondContact CG-OE1 3.26Å; P250-S310 WeakPolarHBondContact CD-OG 3.37Å
251	H	94.6	Very high	90.6	Very high	26 Å²	26	25.5 Å²	25.5	12%	0.12	12%	0.119	C	C	.	.			trans	57.9	22.2	-177.3	-57.1	-61.5	0	0	0	113.5	E249 T254 R255 K256 S310 S312	E249-H251 PolarHBondContact O-CD2 3.11Å; E249-H251 PolarHBondContact O-N 3.44Å; E249-H251 IonicContact OE2-CE1 2.86Å; E249-H251 IonicContact OE2-NE2 2.81Å; H251-T254 CarbonylContact O-C 3.48Å; H251-T254 PolarHBondContact O-N 3.41Å; H251-T254 PolarHBondContact O-OG1 3.39Å; H251-R255 PolarHBondContact O-N 2.9Å; H251-K256 PolarHBondContact O-N 2.87Å; H251-K256 VanDerWaalsContact O-N 3.17Å; H251-S310 PolarHBondContact N-OG 3.1Å; H251-S312 PolarHBondContact ND1-OG 2.89Å
252	W	95.2	Very high	89.2	Confident	4 Å²	4	30.8 Å²	30.8	2%	0.015	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-56.1	-175.8	-173.3	73.5	0	0	0	111.4	M146 Y181 P250 T254 R257 Y271 P272 V273 Y276	M146-W252 HydrophobicContact CG-CH2 4.09Å; M146-W252 HydrophobicContact SD-CH2 3.61Å; M146-W252 HydrophobicContact SD-CZ3 4.18Å; Y181-W252 WeakPolarHBondContact OH-CB 3.35Å; P250-W252 PolarHBondContact O-N 3.43Å; W252-T254 PolarHBondContact O-N 3.03Å; W252-R257 HydrophobicContact CD2-CB 4.4Å; W252-R257 HydrophobicContact CZ2-CB 4.48Å; W252-R257 HydrophobicContact CZ2-CG 4.27Å; W252-R257 WeakPolarHBondContact O-CB 3.31Å; W252-R257 PolarHBondContact O-N 3.32Å; W252-Y271 PolarHBondContact NE1-O 3.38Å; W252-P272 PolarHBondContact NE1-O 2.86Å; W252-V273 HydrophobicContact CH2-CB 3.97Å; W252-V273 HydrophobicContact CH2-CG2 3.72Å; W252-V273 HydrophobicContact CZ2-CB 3.57Å; W252-V273 HydrophobicContact CZ2-CG2 3.78Å; W252-Y276 HydrophobicContact CB-CD2 3.39Å; W252-Y276 HydrophobicContact CB-CE2 3.9Å; W252-Y276 HydrophobicContact CB-CG 3.8Å; W252-Y276 AromaticContact CD2-CD1 3.79Å; W252-Y276 HydrophobicContact CD2-CD1 3.79Å; W252-Y276 HydrophobicContact CD2-CD2 4.13Å; W252-Y276 HydrophobicContact CD2-CE1 4.46Å; W252-Y276 AromaticContact CD2-CG 3.59Å; W252-Y276 HydrophobicContact CD2-CG 3.59Å; W252-Y276 AromaticContact CE3-CD1 3.56Å; W252-Y276 HydrophobicContact CE3-CD1 3.56Å; W252-Y276 HydrophobicContact CE3-CD2 4.36Å; W252-Y276 AromaticContact CE3-CE1 3.86Å; W252-Y276 HydrophobicContact CE3-CE1 3.86Å; W252-Y276 AromaticContact CE3-CG 3.84Å; W252-Y276 HydrophobicContact CE3-CG 3.84Å; W252-Y276 VanDerWaalsContact CG-CB 3.49Å; W252-Y276 HydrophobicContact CG-CD1 4.25Å; W252-Y276 AromaticContact CG-CD2 3.72Å; W252-Y276 HydrophobicContact CG-CD2 3.72Å; W252-Y276 AromaticContact CG-CG 3.56Å; W252-Y276 HydrophobicContact CG-CG 3.56Å; W252-Y276 HydrophobicContact CZ3-CD1 4.03Å; W252-Y276 HydrophobicContact CZ3-CE1 4.3Å
253	W	95.3	Very high	87.4	Confident	1 Å²	1	34.6 Å²	34.6	0%	0.004	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-26.1	178.5	-70.1	111.4	0	0	0	114.7	M146 Y220 Y276 I336 F339 I340 L343	M146-W253 HydrophobicContact SD-CH2 4.3Å; M146-W253 HydrophobicContact SD-CZ3 3.98Å; Y220-W253 AromaticContact CE1-NE1 3.67Å; W253-Y276 HydrophobicContact CZ2-CE1 4.38Å; W253-Y276 AromaticContact NE1-CE1 3.99Å; W253-Y276 AromaticContact NE1-CZ 3.69Å; W253-Y276 PolarHBondContact NE1-OH 2.98Å; W253-Y276 VanDerWaalsContact NE1-OH 3.15Å; W253-I336 HydrophobicContact CB-CG2 3.82Å; W253-I336 HydrophobicContact CG-CG2 4.29Å; W253-I336 WeakPolarHBondContact O-CG1 3.36Å; W253-F339 HydrophobicContact CZ3-CB 3.9Å; W253-I340 HydrophobicContact CD2-CD1 4.08Å; W253-I340 HydrophobicContact CD2-CG1 3.85Å; W253-I340 HydrophobicContact CE3-CG1 3.93Å; W253-I340 HydrophobicContact CG-CD1 4.28Å; W253-I340 HydrophobicContact CH2-CG1 3.9Å; W253-I340 HydrophobicContact CZ2-CG1 3.82Å; W253-I340 HydrophobicContact CZ3-CG1 3.96Å; W253-L343 HydrophobicContact CH2-CD1 3.76Å; W253-L343 HydrophobicContact CZ3-CD1 4.41Å
254	T	93.5	Very high	85.5	Confident	2 Å²	2	37 Å²	37	1%	0.012	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-122.6	-179.9	59.3	0	0	0	0	109.3	H251 W252 K256 F258 S312 D316 I336	H251-T254 CarbonylContact O-C 3.48Å; H251-T254 PolarHBondContact O-N 3.41Å; H251-T254 PolarHBondContact O-OG1 3.39Å; W252-T254 PolarHBondContact O-N 3.03Å; T254-K256 PolarHBondContact O-N 3.42Å; T254-F258 WeakPolarHBondContact O-CD2 3.43Å; T254-S312 PolarHBondContact OG1-OG 3.48Å; T254-D316 HydrophobicContact CG2-CB 3.83Å; T254-D316 WeakPolarHBondContact CG2-O 3.04Å; T254-I336 HydrophobicContact CG2-CD1 3.45Å; T254-I336 VanDerWaalsContact CG2-CD1 3.45Å
255	R	88.6	Confident	84	Confident	80 Å²	80	40.6 Å²	40.6	30%	0.302	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-49.2	-48	-172.7	-22.4	-175.2	-173.8	155.1	14.3	115.3	H251 F258 G259 I260 D316	H251-R255 PolarHBondContact O-N 2.9Å; R255-F258 CarbonylContact O-C 3.4Å; R255-F258 PolarHBondContact O-N 3.45Å; R255-F258 VanDerWaalsContact O-N 3.15Å; R255-G259 PolarHBondContact O-N 2.81Å; R255-I260 CarbonylContact C-O 3.57Å; R255-I260 HydrophobicContact CB-CB 3.98Å; R255-I260 HydrophobicContact CB-CG2 4.27Å; R255-I260 WeakPolarHBondContact CB-O 3.42Å; R255-I260 PolarHBondContact O-N 3.29Å; R255-D316 VanDerWaalsContact CG-OD2 3.29Å; R255-D316 WeakPolarHBondContact CG-OD2 3.37Å; R255-D316 IonicContact CZ-OD2 3.21Å; R255-D316 IonicContact NE-OD2 2.73Å; R255-D316 PolarHBondContact NE-OD2 3.22Å; R255-D316 IonicContact NH2-OD2 2.93Å
256	K	90.4	Very high	82.7	Confident	33 Å²	33	42.2 Å²	42.2	14%	0.143	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-74.3	-33.7	-167.3	-69.3	-167.3	-168.9	151.4	0	114.1	Y181 P250 H251 T254 F258 G259 Y271	Y181-K256 HydrophobicContact CD1-CD 4.27Å; Y181-K256 HydrophobicContact CE1-CD 3.49Å; Y181-K256 VanDerWaalsContact CE1-CD 3.49Å; P250-K256 WeakPolarHBondContact O-CD 3.46Å; P250-K256 VanDerWaalsContact O-CE 3.32Å; P250-K256 WeakPolarHBondContact O-CE 3.21Å; P250-K256 PolarHBondContact O-NZ 3.35Å; H251-K256 PolarHBondContact O-N 2.87Å; H251-K256 VanDerWaalsContact O-N 3.17Å; T254-K256 PolarHBondContact O-N 3.42Å; K256-F258 PolarHBondContact O-N 3.26Å; K256-G259 PolarHBondContact O-N 2.85Å; K256-G259 VanDerWaalsContact O-N 3.12Å; K256-Y271 HydrophobicContact CB-CD1 4.41Å; K256-Y271 HydrophobicContact CB-CD2 3.8Å; K256-Y271 HydrophobicContact CB-CE2 4.33Å; K256-Y271 HydrophobicContact CB-CG 3.86Å; K256-Y271 HydrophobicContact CD-CD1 4.06Å; K256-Y271 HydrophobicContact CD-CD2 4.33Å; K256-Y271 HydrophobicContact CD-CE1 3.85Å; K256-Y271 HydrophobicContact CD-CE2 4.19Å; K256-Y271 HydrophobicContact CD-CG 4.29Å; K256-Y271 HydrophobicContact CG-CD2 4.24Å; K256-Y271 HydrophobicContact CG-CE2 4.27Å; K256-Y271 HydrophobicContact CG-CG 4.5Å; K256-Y271 WeakPolarHBondContact O-CB 3.07Å; K256-Y271 WeakPolarHBondContact O-CD2 3.43Å; K256-Y271 PolarHBondContact O-N 2.97Å
257	R	91.4	Very high	81.9	Confident	11 Å²	11	45.7 Å²	45.7	4%	0.042	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-57.6	-29.5	170.6	173.4	177.8	176.3	-154.2	-2.2	111.8	D143 W252 R270	D143-R257 IonicContact OD2-CZ 3.93Å; D143-R257 VanDerWaalsContact OD2-CZ 3.23Å; D143-R257 IonicContact OD2-NE 2.77Å; D143-R257 PolarHBondContact OD2-NE 3.3Å; D143-R257 IonicContact OD2-NH2 3.65Å; D143-R257 PolarHBondContact OD2-NH2 2.9Å; W252-R257 HydrophobicContact CD2-CB 4.4Å; W252-R257 HydrophobicContact CZ2-CB 4.48Å; W252-R257 HydrophobicContact CZ2-CG 4.27Å; W252-R257 WeakPolarHBondContact O-CB 3.31Å; W252-R257 PolarHBondContact O-N 3.32Å; R257-R270 WeakPolarHBondContact O-CB 3.37Å; R257-R270 WeakPolarHBondContact O-CD 3.38Å; R257-R270 WeakPolarHBondContact O-CG 3.39Å
258	F	88.4	Confident	81.3	Confident	25 Å²	25	48.3 Å²	48.3	11%	0.11	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-98.8	5.9	-178.9	-61.6	-63.9	0	0	0	114.3	T254 R255 K256 I260 A319 F323	T254-F258 WeakPolarHBondContact O-CD2 3.43Å; R255-F258 CarbonylContact O-C 3.4Å; R255-F258 PolarHBondContact O-N 3.45Å; R255-F258 VanDerWaalsContact O-N 3.15Å; K256-F258 PolarHBondContact O-N 3.26Å; F258-I260 HydrophobicContact CB-CD1 4.21Å; F258-I260 HydrophobicContact CB-CG1 4.25Å; F258-I260 PolarHBondContact O-N 2.86Å; F258-A319 HydrophobicContact CB-CB 3.74Å; F258-A319 HydrophobicContact CD1-CB 4.15Å; F258-A319 HydrophobicContact CD2-CB 3.16Å; F258-A319 HydrophobicContact CE2-CB 3.78Å; F258-A319 HydrophobicContact CG-CB 3.41Å; F258-A319 VanDerWaalsContact CG-CB 3.41Å; F258-A319 HydrophobicContact CZ-CB 4.46Å; F258-F323 HydrophobicContact CB-CD2 4.37Å; F258-F323 HydrophobicContact CB-CE2 3.5Å; F258-F323 VanDerWaalsContact CB-CE2 3.5Å; F258-F323 HydrophobicContact CB-CZ 3.87Å; F258-F323 AromaticContact CD1-CD2 3.57Å; F258-F323 HydrophobicContact CD1-CD2 3.57Å; F258-F323 AromaticContact CD1-CE2 3.56Å; F258-F323 HydrophobicContact CD1-CE2 3.56Å; F258-F323 HydrophobicContact CD1-CG 4.31Å; F258-F323 HydrophobicContact CD1-CZ 4.22Å; F258-F323 HydrophobicContact CE1-CD2 4.2Å; F258-F323 HydrophobicContact CG-CD2 4.15Å; F258-F323 AromaticContact CG-CE2 3.76Å; F258-F323 HydrophobicContact CG-CE2 3.76Å; F258-F323 HydrophobicContact CG-CZ 4.45Å; F258-F323 WeakPolarHBondContact O-CZ 3.35Å
259	G	84.1	Confident	80.7	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.7	14.4	-179.8	0	0	0	0	0	114.1	R255 K256 I261 H268	R255-G259 PolarHBondContact O-N 2.81Å; K256-G259 PolarHBondContact O-N 2.85Å; K256-G259 VanDerWaalsContact O-N 3.12Å; G259-I261 PolarHBondContact O-N 3.03Å; G259-H268 VanDerWaalsContact CA-O 3.29Å; G259-H268 WeakPolarHBondContact CA-O 3.38Å; G259-H268 WeakPolarHBondContact O-CB 3.31Å; G259-H268 PolarHBondContact O-N 3.16Å
260	I	78.4	Confident	80.5	Confident	16 Å²	16	55.8 Å²	55.8	8%	0.082	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-90.7	107.2	178.6	-55.8	173	0	0	0	108.1	R255 F258 L263 L267 A319 Y322	R255-I260 CarbonylContact C-O 3.57Å; R255-I260 HydrophobicContact CB-CB 3.98Å; R255-I260 HydrophobicContact CB-CG2 4.27Å; R255-I260 WeakPolarHBondContact CB-O 3.42Å; R255-I260 PolarHBondContact O-N 3.29Å; F258-I260 HydrophobicContact CB-CD1 4.21Å; F258-I260 HydrophobicContact CB-CG1 4.25Å; F258-I260 PolarHBondContact O-N 2.86Å; I260-L263 HydrophobicContact CG2-CG 4.15Å; I260-L267 HydrophobicContact CG1-CD2 3.98Å; I260-A319 HydrophobicContact CD1-CB 3.67Å; I260-Y322 HydrophobicContact CD1-CD2 4.18Å; I260-Y322 HydrophobicContact CD1-CE2 4.29Å
261	I	69.1	Low	80.4	Confident	57 Å²	57	56.3 Å²	56.3	29%	0.292	28%	0.278	S	S	.	.	S	Bend	trans	-97.5	-52.6	174	-56.9	-177.9	0	0	0	109.4	G259 H268 Y271	G259-I261 PolarHBondContact O-N 3.03Å; I261-H268 HydrophobicContact CD1-CB 3.84Å; I261-H268 HydrophobicContact CG1-CB 4.16Å; I261-Y271 HydrophobicContact CD1-CE2 4.29Å; I261-Y271 HydrophobicContact CG1-CE2 4.46Å
262	R	64.3	Low	80.4	Confident	151 Å²	151	57.3 Å²	57.3	57%	0.57	29%	0.287	S	S	*	.			trans	-138.3	132.8	163.7	-59.8	-170.1	-176.9	150.1	-9.9	108.2	S264 E265	R262-S264 PolarHBondContact O-N 2.98Å; R262-S264 VanDerWaalsContact O-N 3.13Å; R262-E265 HydrophobicContact CB-CB 4.13Å; R262-E265 HydrophobicContact CB-CG 3.93Å; R262-E265 WeakPolarHBondContact CD-OE1 3.41Å; R262-E265 IonicContact CZ-OE1 2.72Å; R262-E265 IonicContact NE-OE1 2.71Å; R262-E265 IonicContact NH1-OE1 3.8Å; R262-E265 PolarHBondContact NH1-OE1 2.7Å; R262-E265 PolarHBondContact O-N 3.26Å
263	L	58.7	Low	80.5	Confident	80 Å²	80	57.3 Å²	57.3	42%	0.419	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-54.7	-33.3	177.8	-82.7	140.7	0	0	0	112.3	I260 E265 Y322 T404	I260-L263 HydrophobicContact CG2-CG 4.15Å; L263-E265 VanDerWaalsContact C-N 3.31Å; L263-E265 PolarHBondContact O-N 3.11Å; L263-Y322 HydrophobicContact CD2-CE2 4.06Å; L263-Y322 WeakPolarHBondContact CD2-OH 3.36Å; L263-T404 HydrophobicContact CD2-CG2 4.25Å
264	S	57.4	Low	80.5	Confident	111 Å²	111	59.7 Å²	59.7	78%	0.776	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-73.7	-14.8	177.7	60.5	0	0	0	0	115	R262	R262-S264 PolarHBondContact O-N 2.98Å; R262-S264 VanDerWaalsContact O-N 3.13Å
265	E	64.2	Low	80.6	Confident	95 Å²	95	60 Å²	60	44%	0.444	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-101.8	4.1	-175.4	-67.8	178	176.2	0	0	112.7	R262 L263	R262-E265 HydrophobicContact CB-CB 4.13Å; R262-E265 HydrophobicContact CB-CG 3.93Å; R262-E265 WeakPolarHBondContact CD-OE1 3.41Å; R262-E265 IonicContact CZ-OE1 2.72Å; R262-E265 IonicContact NE-OE1 2.71Å; R262-E265 IonicContact NH1-OE1 3.8Å; R262-E265 PolarHBondContact NH1-OE1 2.7Å; R262-E265 PolarHBondContact O-N 3.26Å; L263-E265 VanDerWaalsContact C-N 3.31Å; L263-E265 PolarHBondContact O-N 3.11Å
266	G	64.1	Low	81	Confident	40 Å²	40	56.2 Å²	56.2	41%	0.412	29%	0.286	S	S	.	.			trans	81.5	-179.8	-176.6	0	0	0	0	0	113.5
267	L	71.5	Confident	81.3	Confident	108 Å²	108	54.7 Å²	54.7	57%	0.565	28%	0.28	S	S	*	.	B	Isolated β-bridge	trans	-80.1	124.1	175.5	-77.9	160.3	0	0	0	109.5	I260 F323	I260-L267 HydrophobicContact CG1-CD2 3.98Å; L267-F323 HydrophobicContact CD2-CZ 4.08Å
268	H	77.8	Confident	81.5	Confident	72 Å²	72	54.5 Å²	54.5	33%	0.333	28%	0.279	S	S	.	.			trans	-96.7	176.2	171.1	-63	-81.1	0	0	0	111	G259 I261 R270	G259-H268 VanDerWaalsContact CA-O 3.29Å; G259-H268 WeakPolarHBondContact CA-O 3.38Å; G259-H268 WeakPolarHBondContact O-CB 3.31Å; G259-H268 PolarHBondContact O-N 3.16Å; I261-H268 HydrophobicContact CD1-CB 3.84Å; I261-H268 HydrophobicContact CG1-CB 4.16Å; H268-R270 PolarHBondContact O-N 3Å
269	D	80.7	Confident	81.8	Confident	114 Å²	114	53.3 Å²	53.3	61%	0.61	27%	0.274	S	S	*	.			trans	-53.9	135	169.4	-63.5	-31.6	0	0	0	110.8	L180	L180-D269 HydrophobicContact CD1-CB 4.3Å
270	R	88.8	Confident	82.4	Confident	144 Å²	144	53.3 Å²	53.3	54%	0.543	27%	0.274	S	S	.	.			trans	-66.6	140	174.8	-63.3	-175	-173.9	177.3	5.7	109.5	R257 H268 P272	R257-R270 WeakPolarHBondContact O-CB 3.37Å; R257-R270 WeakPolarHBondContact O-CD 3.38Å; R257-R270 WeakPolarHBondContact O-CG 3.39Å; H268-R270 PolarHBondContact O-N 3Å; R270-P272 VanDerWaalsContact O-CD 3.27Å; R270-P272 WeakPolarHBondContact O-CD 3.5Å
271	Y	92.5	Very high	83.2	Confident	12 Å²	12	52.8 Å²	52.8	5%	0.047	27%	0.272	C	S	.	.			trans	-77.5	113.6	173	-74.2	-120.8	0	0	0	107.8	L180 Y181 W252 K256 I261	L180-Y271 HydrophobicContact CB-CD1 3.62Å; L180-Y271 HydrophobicContact CB-CD2 4.44Å; L180-Y271 HydrophobicContact CB-CE1 3.35Å; L180-Y271 HydrophobicContact CB-CE2 4.19Å; L180-Y271 HydrophobicContact CB-CG 4.18Å; L180-Y271 HydrophobicContact CD1-CD1 4.34Å; L180-Y271 HydrophobicContact CD1-CD2 3.92Å; L180-Y271 HydrophobicContact CD1-CE2 4.08Å; L180-Y271 HydrophobicContact CD1-CG 4.04Å; Y181-Y271 HydrophobicContact CD1-CD1 4.2Å; Y181-Y271 AromaticContact CD1-CE1 3.88Å; Y181-Y271 HydrophobicContact CD1-CE1 3.88Å; Y181-Y271 AromaticContact CD2-CD1 3.71Å; Y181-Y271 HydrophobicContact CD2-CD1 3.71Å; Y181-Y271 HydrophobicContact CD2-CE1 4.01Å; Y181-Y271 HydrophobicContact CE1-CD1 4.03Å; Y181-Y271 HydrophobicContact CE1-CE1 4.05Å; Y181-Y271 AromaticContact CE2-CD1 3.47Å; Y181-Y271 HydrophobicContact CE2-CD1 3.47Å; Y181-Y271 VanDerWaalsContact CE2-CD1 3.47Å; Y181-Y271 HydrophobicContact CE2-CE1 4.13Å; Y181-Y271 HydrophobicContact CE2-CG 4.45Å; Y181-Y271 HydrophobicContact CG-CD1 4.06Å; Y181-Y271 AromaticContact CG-CE1 3.88Å; Y181-Y271 HydrophobicContact CG-CE1 3.88Å; Y181-Y271 AromaticContact CZ-CD1 3.62Å; W252-Y271 PolarHBondContact NE1-O 3.38Å; K256-Y271 HydrophobicContact CB-CD1 4.41Å; K256-Y271 HydrophobicContact CB-CD2 3.8Å; K256-Y271 HydrophobicContact CB-CE2 4.33Å; K256-Y271 HydrophobicContact CB-CG 3.86Å; K256-Y271 HydrophobicContact CD-CD1 4.06Å; K256-Y271 HydrophobicContact CD-CD2 4.33Å; K256-Y271 HydrophobicContact CD-CE1 3.85Å; K256-Y271 HydrophobicContact CD-CE2 4.19Å; K256-Y271 HydrophobicContact CD-CG 4.29Å; K256-Y271 HydrophobicContact CG-CD2 4.24Å; K256-Y271 HydrophobicContact CG-CE2 4.27Å; K256-Y271 HydrophobicContact CG-CG 4.5Å; K256-Y271 WeakPolarHBondContact O-CB 3.07Å; K256-Y271 WeakPolarHBondContact O-CD2 3.43Å; K256-Y271 PolarHBondContact O-N 2.97Å; I261-Y271 HydrophobicContact CD1-CE2 4.29Å; I261-Y271 HydrophobicContact CG1-CE2 4.46Å
272	P	94.3	Very high	84.4	Confident	48 Å²	48	52.5 Å²	52.5	31%	0.312	27%	0.269	S	S	.	.			trans	-61.9	160.2	179.9	28.7	-35.5	0	0	0	110.5	W252 R270 E274 D275	W252-P272 PolarHBondContact NE1-O 2.86Å; R270-P272 VanDerWaalsContact O-CD 3.27Å; R270-P272 WeakPolarHBondContact O-CD 3.5Å; P272-E274 WeakPolarHBondContact CB-OE2 3.47Å; P272-E274 PolarHBondContact O-N 3.12Å; P272-D275 HydrophobicContact CG-CB 4.01Å; P272-D275 WeakPolarHBondContact O-CB 3.23Å; P272-D275 PolarHBondContact O-N 3.35Å
273	V	96.6	Very high	85.9	Confident	3 Å²	3	45.5 Å²	45.5	2%	0.018	24%	0.243	C	C	.	.	H	α-helix	trans	-64.5	-31.5	-179.1	61.2	0	0	0	0	111.2	M146 V149 I150 W252 D275 Y276 L277	M146-V273 HydrophobicContact CG-CG2 4.24Å; V149-V273 HydrophobicContact CB-CG1 3.67Å; V149-V273 HydrophobicContact CG1-CG1 3.8Å; V149-V273 HydrophobicContact CG2-CG1 3.73Å; I150-V273 HydrophobicContact CD1-CG2 3.83Å; I150-V273 HydrophobicContact CG1-CG2 4.22Å; W252-V273 HydrophobicContact CH2-CB 3.97Å; W252-V273 HydrophobicContact CH2-CG2 3.72Å; W252-V273 HydrophobicContact CZ2-CB 3.57Å; W252-V273 HydrophobicContact CZ2-CG2 3.78Å; V273-D275 VanDerWaalsContact C-N 3.3Å; V273-D275 PolarHBondContact O-N 3.08Å; V273-Y276 WeakPolarHBondContact O-CA 3.41Å; V273-Y276 WeakPolarHBondContact O-CB 3.5Å; V273-Y276 PolarHBondContact O-N 3.05Å; V273-L277 HydrophobicContact CG2-CD1 4.39Å; V273-L277 HydrophobicContact CG2-CG 4.34Å; V273-L277 WeakPolarHBondContact O-CG 3.41Å; V273-L277 PolarHBondContact O-N 3.09Å
274	E	96	Very high	87.6	Confident	51 Å²	51	41.7 Å²	41.7	24%	0.238	22%	0.223	C	C	.	.	H	α-helix	trans	-58	-42.5	175.1	-63.6	88.8	153.7	0	0	111.4	H145 V149 P272 Y276 L277 D278	H145-E274 IonicContact CD2-OE2 3.74Å; H145-E274 IonicContact CE1-OE1 3.95Å; H145-E274 PolarHBondContact CE1-OE1 2.86Å; H145-E274 IonicContact CE1-OE2 2.67Å; H145-E274 VanDerWaalsContact NE2-CD 3.28Å; H145-E274 IonicContact NE2-OE1 2.96Å; H145-E274 PolarHBondContact NE2-OE1 2.63Å; H145-E274 IonicContact NE2-OE2 2.75Å; H145-E274 PolarHBondContact NE2-OE2 3.23Å; V149-E274 HydrophobicContact CG1-CG 4.24Å; V149-E274 WeakPolarHBondContact CG2-OE1 3.17Å; P272-E274 WeakPolarHBondContact CB-OE2 3.47Å; P272-E274 PolarHBondContact O-N 3.12Å; E274-Y276 PolarHBondContact O-N 2.68Å; E274-L277 PolarHBondContact O-N 2.75Å; E274-L277 VanDerWaalsContact O-N 3.13Å; E274-D278 PolarHBondContact O-N 2.94Å
275	D	95.3	Very high	89.4	Confident	8 Å²	8	40.1 Å²	40.1	4%	0.043	20%	0.201	C	C	.	.	H	α-helix	trans	-62.9	-32.5	177.7	-82.5	14.5	0	0	0	112.2	N179 L180 Y181 P272 V273	N179-D275 WeakPolarHBondContact CA-OD1 3.28Å; N179-D275 VanDerWaalsContact ND2-CA 3.35Å; N179-D275 WeakPolarHBondContact ND2-CA 3.5Å; N179-D275 PolarHBondContact ND2-O 3.22Å; L180-D275 WeakPolarHBondContact CB-OD2 3.47Å; L180-D275 WeakPolarHBondContact CG-OD2 3.39Å; L180-D275 PolarHBondContact N-OD2 3.36Å; Y181-D275 HydrophobicContact CD2-CB 4.05Å; Y181-D275 WeakPolarHBondContact CD2-O 3.33Å; Y181-D275 HydrophobicContact CE2-CB 4.02Å; P272-D275 HydrophobicContact CG-CB 4.01Å; P272-D275 WeakPolarHBondContact O-CB 3.23Å; P272-D275 PolarHBondContact O-N 3.35Å; V273-D275 VanDerWaalsContact C-N 3.3Å; V273-D275 PolarHBondContact O-N 3.08Å
276	Y	96.6	Very high	90.7	Very high	1 Å²	1	38.9 Å²	38.9	0%	0.004	20%	0.195	C	C	.	.	H	α-helix	trans	-74.5	-41.4	174.3	173.7	-116.3	0	0	0	111.8	L216 P250 W252 W253 V273 E274 D278 L279 F280 E308	L216-Y276 HydrophobicContact CD2-CE1 4.47Å; P250-Y276 HydrophobicContact CB-CD2 4.44Å; P250-Y276 HydrophobicContact CB-CE2 4.47Å; P250-Y276 HydrophobicContact CG-CE2 4.18Å; W252-Y276 HydrophobicContact CB-CD2 3.39Å; W252-Y276 HydrophobicContact CB-CE2 3.9Å; W252-Y276 HydrophobicContact CB-CG 3.8Å; W252-Y276 AromaticContact CD2-CD1 3.79Å; W252-Y276 HydrophobicContact CD2-CD1 3.79Å; W252-Y276 HydrophobicContact CD2-CD2 4.13Å; W252-Y276 HydrophobicContact CD2-CE1 4.46Å; W252-Y276 AromaticContact CD2-CG 3.59Å; W252-Y276 HydrophobicContact CD2-CG 3.59Å; W252-Y276 AromaticContact CE3-CD1 3.56Å; W252-Y276 HydrophobicContact CE3-CD1 3.56Å; W252-Y276 HydrophobicContact CE3-CD2 4.36Å; W252-Y276 AromaticContact CE3-CE1 3.86Å; W252-Y276 HydrophobicContact CE3-CE1 3.86Å; W252-Y276 AromaticContact CE3-CG 3.84Å; W252-Y276 HydrophobicContact CE3-CG 3.84Å; W252-Y276 VanDerWaalsContact CG-CB 3.49Å; W252-Y276 HydrophobicContact CG-CD1 4.25Å; W252-Y276 AromaticContact CG-CD2 3.72Å; W252-Y276 HydrophobicContact CG-CD2 3.72Å; W252-Y276 AromaticContact CG-CG 3.56Å; W252-Y276 HydrophobicContact CG-CG 3.56Å; W252-Y276 HydrophobicContact CZ3-CD1 4.03Å; W252-Y276 HydrophobicContact CZ3-CE1 4.3Å; W253-Y276 HydrophobicContact CZ2-CE1 4.38Å; W253-Y276 AromaticContact NE1-CE1 3.99Å; W253-Y276 AromaticContact NE1-CZ 3.69Å; W253-Y276 PolarHBondContact NE1-OH 2.98Å; W253-Y276 VanDerWaalsContact NE1-OH 3.15Å; V273-Y276 WeakPolarHBondContact O-CA 3.41Å; V273-Y276 WeakPolarHBondContact O-CB 3.5Å; V273-Y276 PolarHBondContact O-N 3.05Å; E274-Y276 PolarHBondContact O-N 2.68Å; Y276-D278 VanDerWaalsContact C-N 3.33Å; Y276-D278 PolarHBondContact O-N 2.65Å; Y276-L279 HydrophobicContact CD2-CD1 4.22Å; Y276-L279 VanDerWaalsContact O-CB 3.28Å; Y276-L279 WeakPolarHBondContact O-CB 3.2Å; Y276-L279 WeakPolarHBondContact O-CG 3.07Å; Y276-L279 PolarHBondContact O-N 2.79Å; Y276-L279 VanDerWaalsContact O-N 3.16Å; Y276-F280 HydrophobicContact CD1-CE2 4.18Å; Y276-F280 HydrophobicContact CD2-CE2 4.07Å; Y276-F280 HydrophobicContact CD2-CZ 4.42Å; Y276-F280 AromaticContact CE1-CE2 3.81Å; Y276-F280 HydrophobicContact CE1-CE2 3.81Å; Y276-F280 HydrophobicContact CE1-CZ 4.35Å; Y276-F280 AromaticContact CE2-CE2 3.68Å; Y276-F280 HydrophobicContact CE2-CE2 3.68Å; Y276-F280 AromaticContact CE2-CZ 3.68Å; Y276-F280 HydrophobicContact CE2-CZ 3.68Å; Y276-F280 HydrophobicContact CG-CE2 4.31Å; Y276-F280 AromaticContact CZ-CE2 3.55Å; Y276-F280 AromaticContact CZ-CZ 3.64Å; Y276-F280 WeakPolarHBondContact O-CD2 3.38Å; Y276-F280 WeakPolarHBondContact O-CE2 3.47Å; Y276-E308 HydrophobicContact CE2-CG 4.27Å
277	L	97.1	Very high	92.1	Very high	2 Å²	2	37 Å²	37	1%	0.01	18%	0.175	C	C	.	.	H	α-helix	trans	-62.8	-38.6	177	-67.4	176	0	0	0	112.1	V149 W163 L216 V273 E274 L279 F280	V149-L277 HydrophobicContact CG1-CD1 3.77Å; W163-L277 HydrophobicContact CH2-CD1 4.08Å; W163-L277 HydrophobicContact CH2-CD2 3.79Å; W163-L277 HydrophobicContact CZ2-CD1 3.93Å; W163-L277 HydrophobicContact CZ2-CD2 4.46Å; L216-L277 HydrophobicContact CD2-CD2 3.72Å; L216-L277 HydrophobicContact CG-CD2 4.45Å; V273-L277 HydrophobicContact CG2-CD1 4.39Å; V273-L277 HydrophobicContact CG2-CG 4.34Å; V273-L277 WeakPolarHBondContact O-CG 3.41Å; V273-L277 PolarHBondContact O-N 3.09Å; E274-L277 PolarHBondContact O-N 2.75Å; E274-L277 VanDerWaalsContact O-N 3.13Å; L277-L279 PolarHBondContact O-N 2.87Å; L277-F280 PolarHBondContact O-N 2.9Å
278	D	95.8	Very high	93	Very high	6 Å²	6	32 Å²	32	3%	0.032	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-57.2	-24.2	175.7	-69.3	-10.7	0	0	0	113.1	Y176 N179 F192 R214 E274 Y276 F280 D281	Y176-D278 HydrophobicContact CD1-CB 4.01Å; Y176-D278 HydrophobicContact CE1-CB 4.05Å; N179-D278 WeakPolarHBondContact ND2-CB 3.44Å; N179-D278 PolarHBondContact ND2-OD2 3.25Å; F192-D278 HydrophobicContact CE1-CB 4.29Å; R214-D278 IonicContact CZ-OD1 2.59Å; R214-D278 VanDerWaalsContact CZ-OD1 3.26Å; R214-D278 IonicContact NH1-OD1 2.63Å; R214-D278 PolarHBondContact NH1-OD1 3.13Å; R214-D278 IonicContact NH2-OD1 2.86Å; R214-D278 PolarHBondContact NH2-OD1 3.12Å; E274-D278 PolarHBondContact O-N 2.94Å; Y276-D278 VanDerWaalsContact C-N 3.33Å; Y276-D278 PolarHBondContact O-N 2.65Å; D278-F280 PolarHBondContact O-N 2.67Å; D278-D281 PolarHBondContact O-N 3.38Å
279	L	95.6	Very high	93.5	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-68.1	-14.2	177	-54.2	-175.9	0	0	0	113	Y181 F192 A245 T246 F247 P250 Y276 L277	Y181-L279 HydrophobicContact CD2-CD1 4.26Å; Y181-L279 HydrophobicContact CD2-CD2 4.07Å; Y181-L279 HydrophobicContact CD2-CG 4.4Å; Y181-L279 HydrophobicContact CE1-CD1 4.23Å; Y181-L279 HydrophobicContact CE2-CD1 3.97Å; Y181-L279 HydrophobicContact CE2-CG 4.42Å; Y181-L279 HydrophobicContact CG-CD2 4.2Å; F192-L279 HydrophobicContact CE2-CD2 4.33Å; F192-L279 HydrophobicContact CZ-CD2 3.78Å; A245-L279 CarbonylContact C-O 3.49Å; A245-L279 WeakPolarHBondContact CA-O 3.31Å; A245-L279 HydrophobicContact CB-CB 4.2Å; T246-L279 PolarHBondContact N-O 3.04Å; T246-L279 PolarHBondContact OG1-O 3.26Å; T246-L279 VanDerWaalsContact OG1-O 3.04Å; F247-L279 HydrophobicContact CE1-CD1 4.44Å; F247-L279 HydrophobicContact CE1-CD2 3.49Å; F247-L279 VanDerWaalsContact CE1-CD2 3.49Å; F247-L279 HydrophobicContact CE2-CD1 4.13Å; F247-L279 HydrophobicContact CZ-CD1 3.72Å; F247-L279 HydrophobicContact CZ-CD2 3.48Å; F247-L279 VanDerWaalsContact CZ-CD2 3.48Å; F247-L279 HydrophobicContact CZ-CG 4.26Å; P250-L279 HydrophobicContact CB-CD1 3.59Å; P250-L279 HydrophobicContact CG-CD1 4.43Å; Y276-L279 HydrophobicContact CD2-CD1 4.22Å; Y276-L279 VanDerWaalsContact O-CB 3.28Å; Y276-L279 WeakPolarHBondContact O-CB 3.2Å; Y276-L279 WeakPolarHBondContact O-CG 3.07Å; Y276-L279 PolarHBondContact O-N 2.79Å; Y276-L279 VanDerWaalsContact O-N 3.16Å; L277-L279 PolarHBondContact O-N 2.87Å
280	F	96.8	Very high	93.7	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-107.5	-2.8	-178.6	-53.9	-68.3	0	0	0	113.2	P217 A245 Y276 L277 D278 Q282 A283 A284 I306 E308	P217-F280 HydrophobicContact CG-CE1 3.69Å; P217-F280 HydrophobicContact CG-CE2 4.16Å; P217-F280 HydrophobicContact CG-CZ 3.46Å; P217-F280 VanDerWaalsContact CG-CZ 3.46Å; A245-F280 HydrophobicContact CB-CD1 4.09Å; A245-F280 HydrophobicContact CB-CE1 3.56Å; A245-F280 HydrophobicContact CB-CZ 4.18Å; Y276-F280 HydrophobicContact CD1-CE2 4.18Å; Y276-F280 HydrophobicContact CD2-CE2 4.07Å; Y276-F280 HydrophobicContact CD2-CZ 4.42Å; Y276-F280 AromaticContact CE1-CE2 3.81Å; Y276-F280 HydrophobicContact CE1-CE2 3.81Å; Y276-F280 HydrophobicContact CE1-CZ 4.35Å; Y276-F280 AromaticContact CE2-CE2 3.68Å; Y276-F280 HydrophobicContact CE2-CE2 3.68Å; Y276-F280 AromaticContact CE2-CZ 3.68Å; Y276-F280 HydrophobicContact CE2-CZ 3.68Å; Y276-F280 HydrophobicContact CG-CE2 4.31Å; Y276-F280 AromaticContact CZ-CE2 3.55Å; Y276-F280 AromaticContact CZ-CZ 3.64Å; Y276-F280 WeakPolarHBondContact O-CD2 3.38Å; Y276-F280 WeakPolarHBondContact O-CE2 3.47Å; L277-F280 PolarHBondContact O-N 2.9Å; D278-F280 PolarHBondContact O-N 2.67Å; F280-Q282 VanDerWaalsContact C-N 3.3Å; F280-Q282 PolarHBondContact O-N 3.12Å; F280-A283 PolarHBondContact O-N 3.17Å; F280-A284 PolarHBondContact O-N 3.3Å; F280-I306 HydrophobicContact CD1-CG2 3.51Å; F280-I306 HydrophobicContact CE1-CG2 4.01Å; F280-I306 HydrophobicContact CG-CG2 4.42Å; F280-E308 HydrophobicContact CZ-CB 4.42Å; F280-E308 HydrophobicContact CZ-CG 4.33Å
281	D	95.3	Very high	93.4	Very high	5 Å²	5	23.4 Å²	23.4	3%	0.027	12%	0.123	C	C	.	.	H	α-helix	trans	-59.3	-38	-173.3	-83.2	0.2	0	0	0	113.6	Y176 L195 R214 D278 A283 A284 Y285	Y176-D281 WeakPolarHBondContact CE1-OD2 3.32Å; Y176-D281 PolarHBondContact OH-OD2 3.03Å; L195-D281 HydrophobicContact CD2-CB 4.32Å; R214-D281 IonicContact CZ-OD1 2.98Å; R214-D281 IonicContact CZ-OD2 3.9Å; R214-D281 IonicContact NE-OD1 3.57Å; R214-D281 IonicContact NH1-OD1 3.28Å; R214-D281 PolarHBondContact NH1-OD1 3.47Å; R214-D281 IonicContact NH1-OD2 3.23Å; R214-D281 PolarHBondContact NH1-OD2 3.09Å; D278-D281 PolarHBondContact O-N 3.38Å; D281-A283 VanDerWaalsContact C-N 3.31Å; D281-A283 PolarHBondContact O-N 3.29Å; D281-A284 PolarHBondContact O-N 3.33Å; D281-Y285 WeakPolarHBondContact O-CB 3.38Å; D281-Y285 PolarHBondContact O-N 2.71Å
282	Q	93.9	Very high	92.8	Very high	50 Å²	50	26.8 Å²	26.8	23%	0.234	14%	0.142	C	C	.	.	H	α-helix	trans	-62.6	-40.6	176.1	-171.1	60.5	50.6	0	0	111.9	L195 F280 Q286	L195-Q282 HydrophobicContact CD2-CB 3.88Å; F280-Q282 VanDerWaalsContact C-N 3.3Å; F280-Q282 PolarHBondContact O-N 3.12Å; Q282-Q286 WeakPolarHBondContact O-CG 3.17Å; Q282-Q286 PolarHBondContact O-N 2.94Å
283	A	94.8	Very high	91.8	Very high	4 Å²	4	27.2 Å²	27.2	3%	0.033	15%	0.15	C	C	.	.	H	α-helix	trans	-76.7	-38.4	-178.4	0	0	0	0	0	111.2	K243 F280 D281 Y285 Q286 I287 I306	K243-A283 HydrophobicContact CB-CB 3.8Å; K243-A283 HydrophobicContact CG-CB 4.38Å; F280-A283 PolarHBondContact O-N 3.17Å; D281-A283 VanDerWaalsContact C-N 3.31Å; D281-A283 PolarHBondContact O-N 3.29Å; A283-Y285 VanDerWaalsContact C-N 3.3Å; A283-Y285 PolarHBondContact O-N 3.25Å; A283-Q286 WeakPolarHBondContact O-CB 3.33Å; A283-Q286 PolarHBondContact O-N 3.43Å; A283-Q286 VanDerWaalsContact O-N 3.16Å; A283-I287 WeakPolarHBondContact O-CG1 3.46Å; A283-I287 PolarHBondContact O-N 2.88Å; A283-I306 HydrophobicContact CB-CD1 3.72Å; A283-I306 HydrophobicContact CB-CG1 3.82Å; A283-I306 HydrophobicContact CB-CG2 4.39Å
284	A	95.7	Very high	90.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-59.8	-41.5	172	0	0	0	0	0	111.4	M213 C215 F280 D281 Q286 I287 Q288	M213-A284 HydrophobicContact CG-CB 4.38Å; M213-A284 WeakPolarHBondContact O-CB 3.46Å; C215-A284 HydrophobicContact CB-CB 4.17Å; F280-A284 PolarHBondContact O-N 3.3Å; D281-A284 PolarHBondContact O-N 3.33Å; A284-Q286 VanDerWaalsContact C-N 3.33Å; A284-Q286 PolarHBondContact O-N 3.04Å; A284-I287 PolarHBondContact O-N 3.14Å; A284-Q288 WeakPolarHBondContact O-CB 3.37Å; A284-Q288 PolarHBondContact O-N 3.2Å
285	Y	93.4	Very high	88.3	Confident	78 Å²	78	32.9 Å²	32.9	31%	0.306	19%	0.186	S	C	.	.	H	α-helix	trans	-62.4	-37.8	174.5	175.9	-119.4	0	0	0	112.9	H201 H202 D281 A283 Q288 G289	H201-Y285 HydrophobicContact CB-CE2 4.32Å; H201-Y285 WeakPolarHBondContact O-CE2 3.4Å; H202-Y285 HydrophobicContact CB-CD2 4.15Å; H202-Y285 AromaticContact CD2-CD1 3.59Å; H202-Y285 AromaticContact CD2-CD2 3.53Å; H202-Y285 AromaticContact CD2-CE1 3.98Å; H202-Y285 AromaticContact CD2-CE2 3.93Å; H202-Y285 AromaticContact CD2-CG 3.33Å; H202-Y285 AromaticContact CG-CD2 3.92Å; H202-Y285 AromaticContact CG-CG 3.83Å; H202-Y285 AromaticContact NE2-CD1 3.47Å; H202-Y285 WeakPolarHBondContact NE2-CD1 3.48Å; H202-Y285 AromaticContact NE2-CG 3.57Å; D281-Y285 WeakPolarHBondContact O-CB 3.38Å; D281-Y285 PolarHBondContact O-N 2.71Å; A283-Y285 VanDerWaalsContact C-N 3.3Å; A283-Y285 PolarHBondContact O-N 3.25Å; Y285-Q288 WeakPolarHBondContact O-CB 2.94Å; Y285-Q288 PolarHBondContact O-N 2.93Å; Y285-G289 PolarHBondContact O-N 3.47Å
286	Q	92.1	Very high	86.4	Confident	69 Å²	69	37.5 Å²	37.5	32%	0.322	22%	0.219	S	C	.	.	H	α-helix	trans	-64.9	-45.2	175.5	-72.1	170.2	1.1	0	0	111.9	Q282 A283 A284 Q288 G289 E290	Q282-Q286 WeakPolarHBondContact O-CG 3.17Å; Q282-Q286 PolarHBondContact O-N 2.94Å; A283-Q286 WeakPolarHBondContact O-CB 3.33Å; A283-Q286 PolarHBondContact O-N 3.43Å; A283-Q286 VanDerWaalsContact O-N 3.16Å; A284-Q286 VanDerWaalsContact C-N 3.33Å; A284-Q286 PolarHBondContact O-N 3.04Å; Q286-Q288 VanDerWaalsContact C-N 3.3Å; Q286-Q288 PolarHBondContact O-N 3.08Å; Q286-G289 PolarHBondContact O-N 2.92Å; Q286-G289 VanDerWaalsContact O-N 3.15Å; Q286-E290 PolarHBondContact O-N 2.95Å; Q286-E290 VanDerWaalsContact O-N 3.1Å
287	I	93.1	Very high	84	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-58.9	-44.1	174.5	-66.5	170.6	0	0	0	110.4	I158 N160 M213 A283 A284 G289 E290 L291 P302 V304 I306	I158-I287 HydrophobicContact CG2-CG2 3.94Å; N160-I287 HydrophobicContact CB-CD1 4.16Å; M213-I287 HydrophobicContact SD-CG2 4.26Å; A283-I287 WeakPolarHBondContact O-CG1 3.46Å; A283-I287 PolarHBondContact O-N 2.88Å; A284-I287 PolarHBondContact O-N 3.14Å; I287-G289 VanDerWaalsContact C-N 3.33Å; I287-G289 PolarHBondContact O-N 2.85Å; I287-E290 PolarHBondContact O-N 3.06Å; I287-L291 HydrophobicContact CG2-CD1 4.1Å; I287-L291 WeakPolarHBondContact O-CG 3.46Å; I287-L291 PolarHBondContact O-N 2.9Å; I287-P302 HydrophobicContact CG2-CB 4.42Å; I287-P302 HydrophobicContact CG2-CG 4.28Å; I287-V304 HydrophobicContact CD1-CG1 4.36Å; I287-V304 HydrophobicContact CG1-CB 4.07Å; I287-V304 HydrophobicContact CG1-CG1 3.9Å; I287-I306 HydrophobicContact CD1-CD1 3.82Å; I287-I306 HydrophobicContact CD1-CG1 3.99Å
288	Q	91.3	Very high	81.3	Confident	4 Å²	4	44.8 Å²	44.8	2%	0.019	28%	0.279	C	S	.	.	H	α-helix	trans	-59.8	-41.9	176	-179.9	175.1	-77.3	0	0	112.4	H202 L204 M213 A284 Y285 Q286 L291 N292	H202-Q288 PolarHBondContact O-NE2 3.08Å; H202-Q288 VanDerWaalsContact O-NE2 3.09Å; L204-Q288 HydrophobicContact CD1-CG 4.19Å; L204-Q288 VanDerWaalsContact CD1-OE1 3.26Å; L204-Q288 HydrophobicContact CD2-CG 4.25Å; L204-Q288 HydrophobicContact CG-CG 4.41Å; M213-Q288 HydrophobicContact CE-CB 4.28Å; M213-Q288 HydrophobicContact SD-CB 4.07Å; A284-Q288 WeakPolarHBondContact O-CB 3.37Å; A284-Q288 PolarHBondContact O-N 3.2Å; Y285-Q288 WeakPolarHBondContact O-CB 2.94Å; Y285-Q288 PolarHBondContact O-N 2.93Å; Q286-Q288 VanDerWaalsContact C-N 3.3Å; Q286-Q288 PolarHBondContact O-N 3.08Å; Q288-L291 PolarHBondContact O-N 2.9Å; Q288-N292 PolarHBondContact O-N 3.06Å; Q288-N292 PolarHBondContact O-ND2 2.91Å
289	G	87.9	Confident	78.9	Confident	37 Å²	37	50 Å²	50	38%	0.381	31%	0.313	S	S	.	.	H	α-helix	trans	-60.6	-44.5	176.8	0	0	0	0	0	112.8	Y285 Q286 I287 N292 A293	Y285-G289 PolarHBondContact O-N 3.47Å; Q286-G289 PolarHBondContact O-N 2.92Å; Q286-G289 VanDerWaalsContact O-N 3.15Å; I287-G289 VanDerWaalsContact C-N 3.33Å; I287-G289 PolarHBondContact O-N 2.85Å; G289-N292 PolarHBondContact O-N 2.9Å; G289-A293 PolarHBondContact O-N 3.38Å; G289-A293 VanDerWaalsContact O-N 3.09Å
290	E	84.7	Confident	76.9	Confident	66 Å²	66	53.3 Å²	53.3	31%	0.308	34%	0.337	S	S	.	.	H	α-helix	trans	-64.6	-42.3	177.5	-72.3	-179.8	-169.3	0	0	112.3	Q286 I287 N292 A293 N294 P302 V304	Q286-E290 PolarHBondContact O-N 2.95Å; Q286-E290 VanDerWaalsContact O-N 3.1Å; I287-E290 PolarHBondContact O-N 3.06Å; E290-N292 VanDerWaalsContact C-N 3.29Å; E290-N292 PolarHBondContact O-N 3.11Å; E290-A293 PolarHBondContact O-N 3.35Å; E290-A293 VanDerWaalsContact O-N 3.17Å; E290-N294 WeakPolarHBondContact O-CB 3.19Å; E290-N294 PolarHBondContact O-N 3.34Å; E290-N294 PolarHBondContact O-ND2 2.98Å; E290-N294 VanDerWaalsContact O-ND2 3.08Å; E290-P302 HydrophobicContact CB-CB 4.01Å; E290-P302 WeakPolarHBondContact OE2-CA 3.42Å; E290-P302 WeakPolarHBondContact OE2-CB 3.31Å; E290-V304 WeakPolarHBondContact OE1-CG2 3.45Å
291	L	83.9	Confident	75	Confident	46 Å²	46	59 Å²	59	24%	0.241	36%	0.364	C	S	.	.	H	α-helix	trans	-58.3	-41.5	176.7	-72.1	168	0	0	0	112.3	I158 M213 I287 Q288 P302	I158-L291 HydrophobicContact CD1-CD1 3.64Å; I158-L291 HydrophobicContact CG1-CD1 4.23Å; I158-L291 HydrophobicContact CG1-CD2 4.41Å; M213-L291 HydrophobicContact CE-CD1 3.88Å; I287-L291 HydrophobicContact CG2-CD1 4.1Å; I287-L291 WeakPolarHBondContact O-CG 3.46Å; I287-L291 PolarHBondContact O-N 2.9Å; Q288-L291 PolarHBondContact O-N 2.9Å; L291-P302 HydrophobicContact CD2-CG 3.69Å; L291-P302 HydrophobicContact CG-CG 4Å
292	N	79	Confident	73.5	Confident	84 Å²	84	59 Å²	59	45%	0.449	36%	0.364	S	S	.	.	H	α-helix	trans	-72.3	-31.5	178.6	-68.4	-18.4	0	0	0	112.6	Q288 G289 E290 T295	Q288-N292 PolarHBondContact O-N 3.06Å; Q288-N292 PolarHBondContact O-ND2 2.91Å; G289-N292 PolarHBondContact O-N 2.9Å; E290-N292 VanDerWaalsContact C-N 3.29Å; E290-N292 PolarHBondContact O-N 3.11Å; N292-T295 PolarHBondContact O-OG1 3.39Å
293	A	73.8	Confident	73	Confident	57 Å²	57	60.1 Å²	60.1	47%	0.471	37%	0.371	S	S	.	.	H	α-helix	trans	-71.9	-40.4	176.3	0	0	0	0	0	111.9	G289 E290 T295 S296	G289-A293 PolarHBondContact O-N 3.38Å; G289-A293 VanDerWaalsContact O-N 3.09Å; E290-A293 PolarHBondContact O-N 3.35Å; E290-A293 VanDerWaalsContact O-N 3.17Å; A293-T295 VanDerWaalsContact C-N 3.28Å; A293-T295 PolarHBondContact O-N 3.22Å; A293-S296 WeakPolarHBondContact O-CB 3.39Å; A293-S296 PolarHBondContact O-N 2.96Å; A293-S296 VanDerWaalsContact O-N 3.07Å; A293-S296 PolarHBondContact O-OG 3.2Å
294	N	59.6	Low	72.9	Confident	50 Å²	50	60 Å²	60	27%	0.267	37%	0.37	S	S	.	.	H	α-helix	trans	-70.4	-18.9	-175.8	-67.3	-27.3	0	0	0	114.1	E290 S296 S300	E290-N294 WeakPolarHBondContact O-CB 3.19Å; E290-N294 PolarHBondContact O-N 3.34Å; E290-N294 PolarHBondContact O-ND2 2.98Å; E290-N294 VanDerWaalsContact O-ND2 3.08Å; N294-S296 PolarHBondContact O-N 3.43Å; N294-S296 VanDerWaalsContact O-N 3.14Å; N294-S300 PolarHBondContact ND2-O 2.79Å
295	T	58.8	Low	72.9	Confident	123 Å²	123	60 Å²	60	76%	0.755	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-10.9	168.2	25.3	0	0	0	0	114	N292 A293	N292-T295 PolarHBondContact O-OG1 3.39Å; A293-T295 VanDerWaalsContact C-N 3.28Å; A293-T295 PolarHBondContact O-N 3.22Å
296	S	54.9	Low	73.1	Confident	105 Å²	105	56.3 Å²	56.3	73%	0.734	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-6.5	-175.9	-19.7	0	0	0	0	114.8	A293 N294	A293-S296 WeakPolarHBondContact O-CB 3.39Å; A293-S296 PolarHBondContact O-N 2.96Å; A293-S296 VanDerWaalsContact O-N 3.07Å; A293-S296 PolarHBondContact O-OG 3.2Å; N294-S296 PolarHBondContact O-N 3.43Å; N294-S296 VanDerWaalsContact O-N 3.14Å
297	G	46.1	Very low	73.4	Confident	60 Å²	60	53 Å²	53	62%	0.619	34%	0.34	S	S	*	.	S	Bend	trans	159.9	109.4	179.4	0	0	0	0	0	114.3
298	S	41.2	Very low	73.6	Confident	95 Å²	95	53.1 Å²	53.1	66%	0.664	34%	0.341	S	S	*	.			trans	77.8	127.6	177.8	-156.7	0	0	0	0	116.8	S300	S298-S300 VanDerWaalsContact C-N 3.32Å; S298-S300 PolarHBondContact O-N 2.82Å
299	P	45.1	Very low	74	Confident	115 Å²	115	53 Å²	53	75%	0.747	34%	0.341	S	S	*	.			trans	-82.1	73.4	-178.7	35.4	-33.1	0	0	0	110.4
300	S	54.3	Low	74.4	Confident	72 Å²	72	51.3 Å²	51.3	50%	0.503	32%	0.323	S	S	.	.			trans	-90	106.6	157.1	70.4	0	0	0	0	107.5	N294 S298	N294-S300 PolarHBondContact ND2-O 2.79Å; S298-S300 VanDerWaalsContact C-N 3.32Å; S298-S300 PolarHBondContact O-N 2.82Å
301	H	57.2	Low	75	Confident	120 Å²	120	48.2 Å²	48.2	56%	0.556	31%	0.309	S	S	*	.			trans	-52	147.9	172.9	-70.6	-85.7	0	0	0	110.7	G157 N303	G157-H301 PolarHBondContact O-ND1 3.31Å; H301-N303 PolarHBondContact O-N 2.95Å
302	P	62.6	Low	75.6	Confident	5 Å²	5	46.2 Å²	46.2	3%	0.032	30%	0.298	C	S	.	.			trans	-56.9	115	174.4	24.5	-33.3	0	0	0	108.8	I287 E290 L291 V304	I287-P302 HydrophobicContact CG2-CB 4.42Å; I287-P302 HydrophobicContact CG2-CG 4.28Å; E290-P302 HydrophobicContact CB-CB 4.01Å; E290-P302 WeakPolarHBondContact OE2-CA 3.42Å; E290-P302 WeakPolarHBondContact OE2-CB 3.31Å; L291-P302 HydrophobicContact CD2-CG 3.69Å; L291-P302 HydrophobicContact CG-CG 4Å; P302-V304 PolarHBondContact O-N 3.06Å
303	N	83.1	Confident	76.5	Confident	73 Å²	73	42.2 Å²	42.2	39%	0.39	28%	0.277	S	S	.	.			trans	-79.8	-7.6	179.1	-85.1	-28.7	0	0	0	112	D241 H301 I305	D241-N303 HydrophobicContact CB-CB 4.45Å; H301-N303 PolarHBondContact O-N 2.95Å; N303-I305 PolarHBondContact O-N 2.56Å
304	V	92.7	Very high	77.6	Confident	2 Å²	2	39.6 Å²	39.6	1%	0.012	26%	0.255	C	S	.	.			trans	-60.4	126.2	179.9	174.9	0	0	0	0	111	N160 D241 K243 I287 E290 P302	N160-V304 PolarHBondContact OD1-O 2.98Å; D241-V304 CarbonylContact O-C 3.5Å; D241-V304 VanDerWaalsContact O-CA 3.24Å; D241-V304 WeakPolarHBondContact O-CA 3.06Å; K243-V304 HydrophobicContact CB-CG1 4.43Å; K243-V304 HydrophobicContact CG-CG1 3.62Å; I287-V304 HydrophobicContact CD1-CG1 4.36Å; I287-V304 HydrophobicContact CG1-CB 4.07Å; I287-V304 HydrophobicContact CG1-CG1 3.9Å; E290-V304 WeakPolarHBondContact OE1-CG2 3.45Å; P302-V304 PolarHBondContact O-N 3.06Å
305	I	96.4	Very high	79.3	Confident	0 Å²	0	38 Å²	38	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	137.7	172.4	60.8	172.5	0	0	0	111.3	K159 N160 Y218 F219 D241 V242 K243 N303 L458 L460	K159-I305 HydrophobicContact CB-CG2 3.97Å; K159-I305 HydrophobicContact CD-CG2 3.52Å; K159-I305 HydrophobicContact CG-CG2 4.4Å; N160-I305 VanDerWaalsContact OD1-CA 3.28Å; N160-I305 WeakPolarHBondContact OD1-CA 3.35Å; Y218-I305 HydrophobicContact CD1-CB 3.85Å; Y218-I305 HydrophobicContact CD1-CD1 4.01Å; Y218-I305 HydrophobicContact CD1-CG2 3.67Å; Y218-I305 HydrophobicContact CE1-CD1 4.42Å; Y218-I305 HydrophobicContact CE1-CG2 4.1Å; Y218-I305 HydrophobicContact CG-CB 4.2Å; Y218-I305 HydrophobicContact CG-CG2 4.02Å; F219-I305 HydrophobicContact CD1-CD1 3.98Å; F219-I305 HydrophobicContact CD1-CG1 4.47Å; F219-I305 HydrophobicContact CE1-CD1 3.82Å; F219-I305 HydrophobicContact CE1-CG1 4.1Å; D241-I305 PolarHBondContact O-N 3.05Å; V242-I305 HydrophobicContact CG2-CD1 4.15Å; V242-I305 HydrophobicContact CG2-CG1 4Å; K243-I305 PolarHBondContact N-O 3.02Å; N303-I305 PolarHBondContact O-N 2.56Å; I305-L458 HydrophobicContact CD1-CB 3.79Å; I305-L458 HydrophobicContact CD1-CD1 3.94Å; I305-L458 HydrophobicContact CD1-CG 4.31Å; I305-L460 HydrophobicContact CD1-CD1 4.15Å; I305-L460 HydrophobicContact CD1-CD2 3.61Å; I305-L460 HydrophobicContact CD1-CG 3.99Å; I305-L460 HydrophobicContact CG1-CD2 3.95Å
306	I	97.9	Very high	80.9	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	129.5	174.8	-48.6	174.5	0	0	0	110.6	N160 C215 P217 Y218 F219 K243 F280 A283 I287	N160-I306 WeakPolarHBondContact ND2-CB 3.36Å; N160-I306 WeakPolarHBondContact ND2-CG1 3.48Å; N160-I306 PolarHBondContact ND2-N 2.85Å; N160-I306 PolarHBondContact OD1-N 3.06Å; N160-I306 VanDerWaalsContact OD1-N 3.14Å; C215-I306 HydrophobicContact CB-CD1 3.65Å; P217-I306 CarbonylContact C-O 3.51Å; P217-I306 WeakPolarHBondContact CA-O 3.29Å; Y218-I306 PolarHBondContact N-O 2.84Å; F219-I306 PolarHBondContact N-O 2.83Å; K243-I306 CarbonylContact O-C 3.45Å; K243-I306 WeakPolarHBondContact O-CA 3.48Å; F280-I306 HydrophobicContact CD1-CG2 3.51Å; F280-I306 HydrophobicContact CE1-CG2 4.01Å; F280-I306 HydrophobicContact CG-CG2 4.42Å; A283-I306 HydrophobicContact CB-CD1 3.72Å; A283-I306 HydrophobicContact CB-CG1 3.82Å; A283-I306 HydrophobicContact CB-CG2 4.39Å; I287-I306 HydrophobicContact CD1-CD1 3.82Å; I287-I306 HydrophobicContact CD1-CG1 3.99Å
307	G	98.1	Very high	82.6	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	153.2	171.7	0	0	0	0	0	113.7	F219 K243 F244 A245	F219-G307 WeakPolarHBondContact O-CA 3.29Å; K243-G307 PolarHBondContact O-N 3.23Å; F244-G307 VanDerWaalsContact CA-O 3.31Å; F244-G307 WeakPolarHBondContact CA-O 3.46Å; F244-G307 VanDerWaalsContact CD1-C 3.4Å; F244-G307 WeakPolarHBondContact CD1-O 3.4Å; A245-G307 PolarHBondContact N-O 2.91Å
308	E	98.1	Very high	84.3	Confident	1 Å²	1	26.2 Å²	26.2	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	147.6	162.7	-167.9	-69.5	126.8	0	0	108.6	P217 F219 Y220 I221 P250 Y276 F280 S310	P217-E308 HydrophobicContact CB-CB 4.04Å; P217-E308 HydrophobicContact CG-CB 3.66Å; P217-E308 HydrophobicContact CG-CG 4.5Å; F219-E308 PolarHBondContact O-N 3.18Å; Y220-E308 CarbonylContact C-O 3.53Å; Y220-E308 VanDerWaalsContact CA-O 3.31Å; Y220-E308 WeakPolarHBondContact CA-O 3.29Å; Y220-E308 HydrophobicContact CD1-CB 3.73Å; Y220-E308 HydrophobicContact CD1-CG 4.31Å; Y220-E308 HydrophobicContact CE1-CB 3.98Å; Y220-E308 HydrophobicContact CE1-CG 4.46Å; I221-E308 PolarHBondContact N-O 3.15Å; P250-E308 WeakPolarHBondContact CD-OE1 3.26Å; P250-E308 HydrophobicContact CG-CG 3.85Å; P250-E308 WeakPolarHBondContact CG-OE1 3.26Å; Y276-E308 HydrophobicContact CE2-CG 4.27Å; F280-E308 HydrophobicContact CZ-CB 4.42Å; F280-E308 HydrophobicContact CZ-CG 4.33Å; E308-S310 VanDerWaalsContact OE1-CB 3.23Å; E308-S310 WeakPolarHBondContact OE1-CB 3.46Å; E308-S310 PolarHBondContact OE1-N 3.28Å; E308-S310 PolarHBondContact OE1-OG 3.3Å; E308-S310 PolarHBondContact OE2-N 3.17Å
309	A	98.1	Very high	86.3	Confident	2 Å²	2	21.9 Å²	21.9	2%	0.017	13%	0.126	C	C	.	.			trans	-142	70	-173.4	0	0	0	0	0	113	I221 Y233 F244 K248 E249	I221-A309 HydrophobicContact CB-CB 3.91Å; I221-A309 HydrophobicContact CD1-CB 4.06Å; I221-A309 HydrophobicContact CG1-CB 4.27Å; I221-A309 CarbonylContact O-C 3.52Å; Y233-A309 HydrophobicContact CD2-CB 3.54Å; Y233-A309 HydrophobicContact CE2-CB 4.22Å; Y233-A309 HydrophobicContact CG-CB 4.33Å; F244-A309 HydrophobicContact CD1-CB 4.37Å; F244-A309 HydrophobicContact CE1-CB 4.07Å; K248-A309 HydrophobicContact CG-CB 3.89Å; K248-A309 WeakPolarHBondContact CG-O 3.33Å; K248-A309 PolarHBondContact NZ-O 3.31Å; E249-A309 WeakPolarHBondContact CG-O 3.38Å; E249-A309 PolarHBondContact N-O 3.16Å
310	S	97.6	Very high	88	Confident	1 Å²	1	17.4 Å²	17.4	1%	0.007	9%	0.094	C	C	.	.			trans	-104.3	105.8	171.1	-68.5	0	0	0	0	110.3	I221 I222 E249 P250 H251 E308 S312 T313	I221-S310 CarbonylContact O-C 3.57Å; I221-S310 PolarHBondContact O-N 2.87Å; I222-S310 CarbonylContact C-O 3.58Å; E249-S310 WeakPolarHBondContact CA-OG 3.29Å; P250-S310 WeakPolarHBondContact CD-OG 3.37Å; H251-S310 PolarHBondContact N-OG 3.1Å; E308-S310 VanDerWaalsContact OE1-CB 3.23Å; E308-S310 WeakPolarHBondContact OE1-CB 3.46Å; E308-S310 PolarHBondContact OE1-N 3.28Å; E308-S310 PolarHBondContact OE1-OG 3.3Å; E308-S310 PolarHBondContact OE2-N 3.17Å; S310-S312 PolarHBondContact O-N 2.88Å; S310-T313 VanDerWaalsContact CB-OG1 3.32Å; S310-T313 WeakPolarHBondContact CB-OG1 3.36Å; S310-T313 VanDerWaalsContact O-CB 3.31Å; S310-T313 WeakPolarHBondContact O-CB 3.36Å; S310-T313 PolarHBondContact O-N 3.49Å; S310-T313 PolarHBondContact O-OG1 2.82Å; S310-T313 VanDerWaalsContact O-OG1 3.05Å
311	A	96.9	Very high	89.3	Confident	2 Å²	2	16.3 Å²	16.3	2%	0.017	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-9.6	178.6	0	0	0	0	0	113.7	I222 T229 W315	I222-A311 CarbonylContact O-C 3.56Å; I222-A311 WeakPolarHBondContact O-CA 3.32Å; I222-A311 VanDerWaalsContact O-O 3.07Å; T229-A311 HydrophobicContact CG2-CB 4.22Å; A311-W315 PolarHBondContact O-NE1 3.46Å
312	S	96.1	Very high	90.3	Very high	3 Å²	3	15.5 Å²	15.5	2%	0.021	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-25.6	172.4	59	0	0	0	0	112.8	H251 T254 S310 M314 W315 D316	H251-S312 PolarHBondContact ND1-OG 2.89Å; T254-S312 PolarHBondContact OG1-OG 3.48Å; S310-S312 PolarHBondContact O-N 2.88Å; S312-M314 PolarHBondContact O-N 3.16Å; S312-M314 VanDerWaalsContact O-N 3.11Å; S312-W315 PolarHBondContact O-N 3.22Å; S312-W315 VanDerWaalsContact O-N 3.08Å; S312-D316 WeakPolarHBondContact O-CB 3.03Å; S312-D316 PolarHBondContact O-N 3.06Å
313	T	97.8	Very high	91	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.006	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-34.9	-172.5	-59.4	0	0	0	0	112.2	I222 S310 I336 I340 W426	I222-T313 HydrophobicContact CB-CG2 4.13Å; I222-T313 HydrophobicContact CG2-CG2 3.65Å; S310-T313 VanDerWaalsContact CB-OG1 3.32Å; S310-T313 WeakPolarHBondContact CB-OG1 3.36Å; S310-T313 VanDerWaalsContact O-CB 3.31Å; S310-T313 WeakPolarHBondContact O-CB 3.36Å; S310-T313 PolarHBondContact O-N 3.49Å; S310-T313 PolarHBondContact O-OG1 2.82Å; S310-T313 VanDerWaalsContact O-OG1 3.05Å; T313-I336 HydrophobicContact CG2-CG2 3.87Å; T313-I340 HydrophobicContact CG2-CD1 4.18Å; T313-W426 HydrophobicContact CG2-CH2 4.1Å; T313-W426 HydrophobicContact CG2-CZ2 4.09Å
314	M	96.7	Very high	90.8	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.005	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-34.8	-179.6	-177.1	156.9	174.8	0	0	114.2	I222 Q224 S312 V351 L423 W426	I222-M314 HydrophobicContact CB-CB 4.14Å; I222-M314 HydrophobicContact CD1-CB 4.08Å; I222-M314 HydrophobicContact CD1-CG 4.27Å; I222-M314 HydrophobicContact CD1-SD 4.2Å; I222-M314 HydrophobicContact CG1-CB 4.04Å; I222-M314 HydrophobicContact CG1-SD 4.38Å; I222-M314 WeakPolarHBondContact O-CB 3.23Å; I222-M314 PolarHBondContact O-N 3.29Å; Q224-M314 PolarHBondContact NE2-SD 3.42Å; Q224-M314 PolarHBondContact OE1-SD 2.92Å; S312-M314 PolarHBondContact O-N 3.16Å; S312-M314 VanDerWaalsContact O-N 3.11Å; M314-V351 HydrophobicContact CE-CG1 4.15Å; M314-V351 HydrophobicContact SD-CB 4.41Å; M314-V351 HydrophobicContact SD-CG1 3.57Å; M314-V351 VanDerWaalsContact SD-CG1 3.57Å; M314-V351 HydrophobicContact SD-CG2 3.88Å; M314-L423 HydrophobicContact CE-CB 3.91Å; M314-L423 HydrophobicContact CE-CD1 4.27Å; M314-W426 PolarHBondContact O-NE1 2.86Å
315	W	95.1	Very high	89.3	Confident	16 Å²	16	23.5 Å²	23.5	6%	0.061	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.6	-27.1	-164.2	66.7	-90.5	0	0	0	114.8	A311 S312 N317 V416 Y422	A311-W315 PolarHBondContact O-NE1 3.46Å; S312-W315 PolarHBondContact O-N 3.22Å; S312-W315 VanDerWaalsContact O-N 3.08Å; W315-N317 PolarHBondContact O-N 3.39Å; W315-V416 HydrophobicContact CD2-CG1 4.32Å; W315-V416 HydrophobicContact CD2-CG2 3.99Å; W315-V416 HydrophobicContact CE3-CG2 3.8Å; W315-V416 HydrophobicContact CG-CG1 4.44Å; W315-V416 HydrophobicContact CH2-CG2 4.16Å; W315-V416 HydrophobicContact CZ2-CG2 4.32Å; W315-V416 HydrophobicContact CZ3-CG2 3.89Å; W315-Y422 HydrophobicContact CB-CD1 3.9Å; W315-Y422 HydrophobicContact CB-CD2 3.91Å; W315-Y422 HydrophobicContact CB-CE1 3.72Å; W315-Y422 HydrophobicContact CB-CE2 3.71Å; W315-Y422 HydrophobicContact CB-CG 3.99Å
316	D	93.7	Very high	87.7	Confident	14 Å²	14	31 Å²	31	8%	0.075	15%	0.154	C	C	.	.			trans	-83.6	77.7	-169.6	-172.3	6.4	0	0	0	111.6	T254 R255 S312 N318 I336	T254-D316 HydrophobicContact CG2-CB 3.83Å; T254-D316 WeakPolarHBondContact CG2-O 3.04Å; R255-D316 VanDerWaalsContact CG-OD2 3.29Å; R255-D316 WeakPolarHBondContact CG-OD2 3.37Å; R255-D316 IonicContact CZ-OD2 3.21Å; R255-D316 IonicContact NE-OD2 2.73Å; R255-D316 PolarHBondContact NE-OD2 3.22Å; R255-D316 IonicContact NH2-OD2 2.93Å; S312-D316 WeakPolarHBondContact O-CB 3.03Å; S312-D316 PolarHBondContact O-N 3.06Å; D316-N318 PolarHBondContact OD1-ND2 3.37Å; D316-I336 WeakPolarHBondContact O-CD1 3.36Å
317	N	89.7	Confident	86.3	Confident	11 Å²	11	33.3 Å²	33.3	6%	0.059	17%	0.168	C	C	.	.			trans	-98.3	9.8	174.6	-68	-88	0	0	0	112.5	W315 A319 W320 L335 I336 Y402	W315-N317 PolarHBondContact O-N 3.39Å; N317-A319 PolarHBondContact O-N 3.26Å; N317-W320 PolarHBondContact O-N 2.9Å; N317-W320 VanDerWaalsContact O-N 3.16Å; N317-L335 HydrophobicContact CB-CD2 3.78Å; N317-L335 VanDerWaalsContact CG-CD2 3.41Å; N317-L335 WeakPolarHBondContact OD1-CD2 3.34Å; N317-I336 WeakPolarHBondContact OD1-CG1 3.19Å; N317-I336 PolarHBondContact OD1-N 3.32Å; N317-I336 VanDerWaalsContact OD1-N 3.14Å; N317-Y402 HydrophobicContact CB-CD1 3.89Å; N317-Y402 HydrophobicContact CB-CE1 3.81Å
318	N	82.5	Confident	84.8	Confident	16 Å²	16	38.8 Å²	38.8	9%	0.086	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-57.8	-15.6	-167.5	-62.9	-59.9	0	0	0	115.7	D316 W320 T404 N407	D316-N318 PolarHBondContact OD1-ND2 3.37Å; N318-W320 PolarHBondContact O-N 2.97Å; N318-T404 WeakPolarHBondContact CA-OG1 3.43Å; N318-T404 HydrophobicContact CB-CG2 4.07Å; N318-T404 WeakPolarHBondContact CB-OG1 3.34Å; N318-T404 PolarHBondContact O-OG1 2.73Å; N318-N407 PolarHBondContact OD1-ND2 2.96Å
319	A	83	Confident	83.6	Confident	5 Å²	5	43.8 Å²	43.8	4%	0.041	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-67.5	-23.9	179.2	0	0	0	0	0	113.4	F258 I260 N317 V321 Y322 F323	F258-A319 HydrophobicContact CB-CB 3.74Å; F258-A319 HydrophobicContact CD1-CB 4.15Å; F258-A319 HydrophobicContact CD2-CB 3.16Å; F258-A319 HydrophobicContact CE2-CB 3.78Å; F258-A319 HydrophobicContact CG-CB 3.41Å; F258-A319 VanDerWaalsContact CG-CB 3.41Å; F258-A319 HydrophobicContact CZ-CB 4.46Å; I260-A319 HydrophobicContact CD1-CB 3.67Å; N317-A319 PolarHBondContact O-N 3.26Å; A319-V321 PolarHBondContact O-N 3.05Å; A319-V321 VanDerWaalsContact O-N 3.11Å; A319-Y322 WeakPolarHBondContact O-CD2 3.41Å; A319-Y322 PolarHBondContact O-N 3.32Å; A319-F323 HydrophobicContact CB-CD2 4.29Å; A319-F323 HydrophobicContact CB-CE2 4.04Å; A319-F323 WeakPolarHBondContact O-CD2 3.28Å; A319-F323 WeakPolarHBondContact O-CE2 3.49Å
320	W	81.3	Confident	82.7	Confident	21 Å²	21	44.6 Å²	44.6	8%	0.08	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-55.5	-36.2	-168.8	74.7	-99	0	0	0	113.6	N317 N318 Y322 F323 Y324 T327 G330 P332 Y402	N317-W320 PolarHBondContact O-N 2.9Å; N317-W320 VanDerWaalsContact O-N 3.16Å; N318-W320 PolarHBondContact O-N 2.97Å; W320-Y322 PolarHBondContact O-N 2.91Å; W320-Y322 VanDerWaalsContact O-N 3.12Å; W320-F323 PolarHBondContact O-N 2.86Å; W320-Y324 HydrophobicContact CB-CD2 3.95Å; W320-Y324 HydrophobicContact CB-CE2 4.23Å; W320-Y324 VanDerWaalsContact O-CD2 3.27Å; W320-Y324 WeakPolarHBondContact O-CD2 3.44Å; W320-Y324 PolarHBondContact O-N 3.43Å; W320-T327 HydrophobicContact CE3-CG2 3.79Å; W320-T327 HydrophobicContact CH2-CG2 4.26Å; W320-T327 HydrophobicContact CZ3-CG2 3.31Å; W320-G330 WeakPolarHBondContact CH2-O 3.29Å; W320-P332 HydrophobicContact CB-CB 3.94Å; W320-P332 HydrophobicContact CD2-CB 3.9Å; W320-P332 HydrophobicContact CG-CB 3.59Å; W320-Y402 PolarHBondContact NE1-O 2.86Å
321	V	80.4	Confident	82.1	Confident	49 Å²	49	46.2 Å²	46.2	30%	0.297	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-62.5	-19.3	-179.4	-59.7	0	0	0	0	113.9	A319 T404	A319-V321 PolarHBondContact O-N 3.05Å; A319-V321 VanDerWaalsContact O-N 3.11Å; V321-T404 HydrophobicContact CG2-CG2 4.42Å
322	Y	78.7	Confident	81.7	Confident	102 Å²	102	46.4 Å²	46.4	40%	0.4	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-95.4	-11.1	-178	-57.1	-68.7	0	0	0	113.5	I260 L263 A319 W320 T404	I260-Y322 HydrophobicContact CD1-CD2 4.18Å; I260-Y322 HydrophobicContact CD1-CE2 4.29Å; L263-Y322 HydrophobicContact CD2-CE2 4.06Å; L263-Y322 WeakPolarHBondContact CD2-OH 3.36Å; A319-Y322 WeakPolarHBondContact O-CD2 3.41Å; A319-Y322 PolarHBondContact O-N 3.32Å; W320-Y322 PolarHBondContact O-N 2.91Å; W320-Y322 VanDerWaalsContact O-N 3.12Å; Y322-T404 HydrophobicContact CE2-CG2 4.4Å
323	F	77.7	Confident	81.2	Confident	51 Å²	51	48.5 Å²	48.5	22%	0.224	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.9	-7.3	-170	-56.6	-67.5	0	0	0	114.3	F258 L267 A319 W320	F258-F323 HydrophobicContact CB-CD2 4.37Å; F258-F323 HydrophobicContact CB-CE2 3.5Å; F258-F323 VanDerWaalsContact CB-CE2 3.5Å; F258-F323 HydrophobicContact CB-CZ 3.87Å; F258-F323 AromaticContact CD1-CD2 3.57Å; F258-F323 HydrophobicContact CD1-CD2 3.57Å; F258-F323 AromaticContact CD1-CE2 3.56Å; F258-F323 HydrophobicContact CD1-CE2 3.56Å; F258-F323 HydrophobicContact CD1-CG 4.31Å; F258-F323 HydrophobicContact CD1-CZ 4.22Å; F258-F323 HydrophobicContact CE1-CD2 4.2Å; F258-F323 HydrophobicContact CG-CD2 4.15Å; F258-F323 AromaticContact CG-CE2 3.76Å; F258-F323 HydrophobicContact CG-CE2 3.76Å; F258-F323 HydrophobicContact CG-CZ 4.45Å; F258-F323 WeakPolarHBondContact O-CZ 3.35Å; L267-F323 HydrophobicContact CD2-CZ 4.08Å; A319-F323 HydrophobicContact CB-CD2 4.29Å; A319-F323 HydrophobicContact CB-CE2 4.04Å; A319-F323 WeakPolarHBondContact O-CD2 3.28Å; A319-F323 WeakPolarHBondContact O-CE2 3.49Å; W320-F323 PolarHBondContact O-N 2.86Å
324	Y	78.3	Confident	80.8	Confident	44 Å²	44	50.1 Å²	50.1	17%	0.173	26%	0.263	C	S	.	.			trans	-132.6	108	-177.2	-53.1	-67.3	0	0	0	110.9	W320 N326 P333 F334	W320-Y324 HydrophobicContact CB-CD2 3.95Å; W320-Y324 HydrophobicContact CB-CE2 4.23Å; W320-Y324 VanDerWaalsContact O-CD2 3.27Å; W320-Y324 WeakPolarHBondContact O-CD2 3.44Å; W320-Y324 PolarHBondContact O-N 3.43Å; Y324-N326 PolarHBondContact O-N 2.84Å; Y324-P333 HydrophobicContact CD1-CG 4.05Å; Y324-P333 HydrophobicContact CD2-CG 3.78Å; Y324-P333 HydrophobicContact CE2-CG 4.39Å; Y324-P333 HydrophobicContact CG-CG 3.59Å; Y324-F334 HydrophobicContact CD1-CD2 4.44Å; Y324-F334 AromaticContact CE1-CD2 3.73Å; Y324-F334 HydrophobicContact CE1-CD2 3.73Å; Y324-F334 HydrophobicContact CE1-CE2 4Å; Y324-F334 AromaticContact CZ-CD2 3.78Å
325	D	62.5	Low	80.6	Confident	154 Å²	154	50.1 Å²	50.1	82%	0.824	26%	0.263	S	S	*	.	S	Bend	trans	-89.2	7.2	-171.9	-69.1	-31.7	0	0	0	115.1
326	N	61.9	Low	80.6	Confident	157 Å²	157	49.7 Å²	49.7	84%	0.84	26%	0.262	S	S	*	.			trans	-144.8	84.9	-178.4	-87	-31	0	0	0	110.6	Y324	Y324-N326 PolarHBondContact O-N 2.84Å
327	T	67.9	Low	80.7	Confident	48 Å²	48	49 Å²	49	29%	0.294	26%	0.258	S	S	.	.			trans	-102.9	138.1	176.5	62.8	0	0	0	0	112	W320 E331 P333	W320-T327 HydrophobicContact CE3-CG2 3.79Å; W320-T327 HydrophobicContact CH2-CG2 4.26Å; W320-T327 HydrophobicContact CZ3-CG2 3.31Å; T327-E331 VanDerWaalsContact CB-O 3.24Å; T327-E331 WeakPolarHBondContact CB-O 3.45Å; T327-E331 VanDerWaalsContact CG2-O 3.3Å; T327-E331 WeakPolarHBondContact CG2-O 2.98Å; T327-P333 HydrophobicContact CG2-CG 4.49Å
328	T	67.6	Low	81	Confident	115 Å²	115	48.5 Å²	48.5	71%	0.706	26%	0.255	S	S	*	.	S	Bend	trans	-78.9	126.1	169.3	-46.1	0	0	0	0	107	G330 E331	T328-G330 PolarHBondContact O-N 3.47Å; T328-G330 VanDerWaalsContact O-N 3.12Å; T328-E331 PolarHBondContact O-N 3.4Å
329	E	72.9	Confident	81.6	Confident	106 Å²	106	47.9 Å²	47.9	50%	0.495	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	18.3	174.5	-60	178.8	-159.5	0	0	116.3	R128 E331	R128-E329 IonicContact CZ-OE2 3.91Å; R128-E329 IonicContact NH1-OE1 3.03Å; R128-E329 IonicContact NH1-OE2 3.98Å; R128-E329 PolarHBondContact NH1-OE2 2.95Å; E329-E331 VanDerWaalsContact C-N 3.33Å; E329-E331 PolarHBondContact O-N 3.1Å
330	G	78.9	Confident	82.3	Confident	20 Å²	20	47.7 Å²	47.7	21%	0.206	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.5	31.2	178.9	0	0	0	0	0	113.3	W320 T328 S399	W320-G330 WeakPolarHBondContact CH2-O 3.29Å; T328-G330 PolarHBondContact O-N 3.47Å; T328-G330 VanDerWaalsContact O-N 3.12Å; G330-S399 WeakPolarHBondContact O-CB 3.31Å; G330-S399 PolarHBondContact O-OG 3.23Å
331	E	85.5	Confident	83	Confident	35 Å²	35	49.5 Å²	49.5	16%	0.164	26%	0.259	C	S	.	.			trans	-114.5	151.2	179.5	-63.3	-169	176.3	0	0	112.4	T327 T328 E329 T396 R398	T327-E331 VanDerWaalsContact CB-O 3.24Å; T327-E331 WeakPolarHBondContact CB-O 3.45Å; T327-E331 VanDerWaalsContact CG2-O 3.3Å; T327-E331 WeakPolarHBondContact CG2-O 2.98Å; T328-E331 PolarHBondContact O-N 3.4Å; E329-E331 VanDerWaalsContact C-N 3.33Å; E329-E331 PolarHBondContact O-N 3.1Å; E331-T396 PolarHBondContact OE1-OG1 3.39Å; E331-T396 VanDerWaalsContact OE1-OG1 3.12Å; E331-R398 VanDerWaalsContact CD-CD 3.44Å; E331-R398 HydrophobicContact CG-CG 4.48Å; E331-R398 WeakPolarHBondContact OE1-CB 3.26Å; E331-R398 VanDerWaalsContact OE1-CD 3.31Å; E331-R398 WeakPolarHBondContact OE1-CD 3.43Å; E331-R398 WeakPolarHBondContact OE1-CG 3.31Å; E331-R398 IonicContact OE1-NE 3.11Å; E331-R398 WeakPolarHBondContact OE2-CD 3.33Å; E331-R398 IonicContact OE2-NE 3.46Å; E331-R398 PolarHBondContact OE2-NE 2.97Å
332	P	86.8	Confident	83.8	Confident	6 Å²	6	48 Å²	48	4%	0.039	25%	0.253	C	S	.	.			trans	-60.9	128	176	20.8	-31.1	0	0	0	111.8	W320 F334 L335 Y402	W320-P332 HydrophobicContact CB-CB 3.94Å; W320-P332 HydrophobicContact CD2-CB 3.9Å; W320-P332 HydrophobicContact CG-CB 3.59Å; P332-F334 VanDerWaalsContact C-N 3.35Å; P332-L335 HydrophobicContact CB-CD2 3.77Å; P332-L335 HydrophobicContact CG-CD2 3.42Å; P332-L335 VanDerWaalsContact CG-CD2 3.42Å; P332-L335 HydrophobicContact CG-CG 4.31Å; P332-Y402 HydrophobicContact CG-CD1 4.24Å; P332-Y402 HydrophobicContact CG-CD2 3.98Å; P332-Y402 HydrophobicContact CG-CE2 4.49Å; P332-Y402 HydrophobicContact CG-CG 3.85Å
333	P	86	Confident	84.6	Confident	46 Å²	46	43.9 Å²	43.9	30%	0.299	24%	0.237	S	C	.	.	S	Bend	trans	-68.4	-38.4	178.6	26.5	-32.5	0	0	0	111.3	R131 Y324 T327	R131-P333 PolarHBondContact NH2-O 3.06Å; R131-P333 VanDerWaalsContact NH2-O 3.08Å; Y324-P333 HydrophobicContact CD1-CG 4.05Å; Y324-P333 HydrophobicContact CD2-CG 3.78Å; Y324-P333 HydrophobicContact CE2-CG 4.39Å; Y324-P333 HydrophobicContact CG-CG 3.59Å; T327-P333 HydrophobicContact CG2-CG 4.49Å
334	F	89.9	Confident	85.4	Confident	36 Å²	36	41.7 Å²	41.7	16%	0.158	23%	0.227	C	C	.	.	S	Bend	trans	-122.1	143.5	176.9	-51.6	-58	0	0	0	110.1	A138 L139 Y324 P332 D338 F339	A138-F334 HydrophobicContact CB-CE1 4.05Å; A138-F334 HydrophobicContact CB-CZ 3.94Å; L139-F334 HydrophobicContact CD2-CB 4.15Å; L139-F334 HydrophobicContact CD2-CD1 3.43Å; L139-F334 VanDerWaalsContact CD2-CD1 3.43Å; L139-F334 HydrophobicContact CD2-CE1 3.95Å; L139-F334 HydrophobicContact CD2-CG 3.81Å; L139-F334 HydrophobicContact CG-CD1 4.43Å; Y324-F334 HydrophobicContact CD1-CD2 4.44Å; Y324-F334 AromaticContact CE1-CD2 3.73Å; Y324-F334 HydrophobicContact CE1-CD2 3.73Å; Y324-F334 HydrophobicContact CE1-CE2 4Å; Y324-F334 AromaticContact CZ-CD2 3.78Å; P332-F334 VanDerWaalsContact C-N 3.35Å; F334-D338 WeakPolarHBondContact CA-OD2 3.4Å; F334-F339 HydrophobicContact CB-CE2 3.64Å; F334-F339 HydrophobicContact CB-CZ 4.02Å; F334-F339 HydrophobicContact CD2-CZ 4.37Å; F334-F339 HydrophobicContact CG-CE2 4.39Å; F334-F339 HydrophobicContact CG-CZ 4.29Å
335	L	93	Very high	86.2	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.005	24%	0.237	C	C	.	.			trans	-117.9	163	171.7	-64.4	179.7	0	0	0	109.8	N317 P332 Q337 D338 F339 Y402 D425	N317-L335 HydrophobicContact CB-CD2 3.78Å; N317-L335 VanDerWaalsContact CG-CD2 3.41Å; N317-L335 WeakPolarHBondContact OD1-CD2 3.34Å; P332-L335 HydrophobicContact CB-CD2 3.77Å; P332-L335 HydrophobicContact CG-CD2 3.42Å; P332-L335 VanDerWaalsContact CG-CD2 3.42Å; P332-L335 HydrophobicContact CG-CG 4.31Å; L335-Q337 VanDerWaalsContact C-N 3.27Å; L335-Q337 VanDerWaalsContact CB-CD 3.47Å; L335-Q337 PolarHBondContact O-N 2.87Å; L335-D338 PolarHBondContact N-OD2 2.71Å; L335-D338 WeakPolarHBondContact O-CB 3.44Å; L335-D338 PolarHBondContact O-N 3.49Å; L335-F339 WeakPolarHBondContact O-CD2 3.22Å; L335-Y402 HydrophobicContact CD2-CE1 4.02Å; L335-D425 HydrophobicContact CD1-CB 4.11Å; L335-D425 VanDerWaalsContact CD1-CG 3.45Å; L335-D425 WeakPolarHBondContact CD1-OD2 3.5Å
336	I	95	Very high	87.8	Confident	6 Å²	6	42.2 Å²	42.2	3%	0.031	23%	0.232	C	C	.	.	H	α-helix	trans	-53.8	-43.6	-177.4	-70.9	160.6	0	0	0	112.5	W253 T254 T313 D316 N317 D338 F339 I340	W253-I336 HydrophobicContact CB-CG2 3.82Å; W253-I336 HydrophobicContact CG-CG2 4.29Å; W253-I336 WeakPolarHBondContact O-CG1 3.36Å; T254-I336 HydrophobicContact CG2-CD1 3.45Å; T254-I336 VanDerWaalsContact CG2-CD1 3.45Å; T313-I336 HydrophobicContact CG2-CG2 3.87Å; D316-I336 WeakPolarHBondContact O-CD1 3.36Å; N317-I336 WeakPolarHBondContact OD1-CG1 3.19Å; N317-I336 PolarHBondContact OD1-N 3.32Å; N317-I336 VanDerWaalsContact OD1-N 3.14Å; I336-D338 PolarHBondContact O-N 3.2Å; I336-F339 PolarHBondContact O-N 3.38Å; I336-I340 HydrophobicContact CG2-CD1 3.64Å; I336-I340 HydrophobicContact CG2-CG1 4.25Å; I336-I340 PolarHBondContact O-N 3.12Å; I336-I340 VanDerWaalsContact O-N 3.09Å
337	Q	95.6	Very high	89.5	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-62.5	-26.4	-179.1	68.2	-85.6	17.2	0	0	113.2	L335 H341 D425 W426 V429 F430	L335-Q337 VanDerWaalsContact C-N 3.27Å; L335-Q337 VanDerWaalsContact CB-CD 3.47Å; L335-Q337 PolarHBondContact O-N 2.87Å; Q337-H341 VanDerWaalsContact O-CB 3.23Å; Q337-H341 WeakPolarHBondContact O-CB 3.48Å; Q337-H341 PolarHBondContact O-N 2.91Å; Q337-D425 PolarHBondContact NE2-O 2.94Å; Q337-W426 HydrophobicContact CB-CD2 3.82Å; Q337-W426 HydrophobicContact CB-CE3 3.58Å; Q337-W426 HydrophobicContact CB-CH2 3.93Å; Q337-W426 HydrophobicContact CB-CZ2 4.13Å; Q337-W426 HydrophobicContact CB-CZ3 3.63Å; Q337-W426 HydrophobicContact CG-CD2 4.44Å; Q337-V429 HydrophobicContact CG-CB 4.18Å; Q337-V429 HydrophobicContact CG-CG2 3.91Å; Q337-F430 HydrophobicContact CB-CD2 4.3Å; Q337-F430 HydrophobicContact CB-CE2 3.95Å
338	D	95.6	Very high	91	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-66.7	-44.1	176.9	-53.5	-22.2	0	0	0	110.7	R131 S134 L139 F334 L335 I336 A342	R131-D338 IonicContact CZ-OD1 3.35Å; R131-D338 IonicContact CZ-OD2 2.62Å; R131-D338 IonicContact NH1-OD1 3.25Å; R131-D338 PolarHBondContact NH1-OD1 3.35Å; R131-D338 IonicContact NH1-OD2 3.67Å; R131-D338 PolarHBondContact NH1-OD2 2.6Å; R131-D338 IonicContact NH2-OD1 2.65Å; R131-D338 IonicContact NH2-OD2 3.71Å; R131-D338 PolarHBondContact NH2-OD2 3.05Å; S134-D338 PolarHBondContact OG-OD2 2.97Å; S134-D338 VanDerWaalsContact OG-OD2 3.04Å; L139-D338 HydrophobicContact CD1-CB 3.97Å; L139-D338 WeakPolarHBondContact CD1-O 3.45Å; L139-D338 HydrophobicContact CD2-CB 3.88Å; F334-D338 WeakPolarHBondContact CA-OD2 3.4Å; L335-D338 PolarHBondContact N-OD2 2.71Å; L335-D338 WeakPolarHBondContact O-CB 3.44Å; L335-D338 PolarHBondContact O-N 3.49Å; I336-D338 PolarHBondContact O-N 3.2Å; D338-A342 WeakPolarHBondContact O-CB 3.35Å; D338-A342 PolarHBondContact O-N 3.24Å
339	F	95.8	Very high	92.4	Very high	4 Å²	4	30 Å²	30	2%	0.018	16%	0.156	C	C	.	.	H	α-helix	trans	-68.8	-41.8	178.7	-68.7	-77.8	0	0	0	111.4	L139 S142 D143 M146 F147 W253 F334 L335 I336 A342 L343	L139-F339 HydrophobicContact CB-CD1 4.28Å; L139-F339 HydrophobicContact CB-CE1 4.12Å; L139-F339 HydrophobicContact CD2-CD1 3.95Å; L139-F339 HydrophobicContact CD2-CD2 4.35Å; L139-F339 HydrophobicContact CD2-CE1 3.71Å; L139-F339 HydrophobicContact CD2-CE2 4.11Å; L139-F339 HydrophobicContact CD2-CG 4.29Å; L139-F339 HydrophobicContact CD2-CZ 3.8Å; S142-F339 VanDerWaalsContact OG-CE1 3.32Å; S142-F339 WeakPolarHBondContact OG-CE1 3.28Å; S142-F339 WeakPolarHBondContact OG-CZ 3.15Å; D143-F339 HydrophobicContact CB-CE1 4.38Å; M146-F339 HydrophobicContact CE-CB 4.19Å; M146-F339 HydrophobicContact CE-CD1 3.5Å; M146-F339 HydrophobicContact CE-CE1 4.26Å; M146-F339 HydrophobicContact CE-CG 4.2Å; F147-F339 HydrophobicContact CE2-CD1 4.2Å; F147-F339 HydrophobicContact CZ-CD1 4.37Å; W253-F339 HydrophobicContact CZ3-CB 3.9Å; F334-F339 HydrophobicContact CB-CE2 3.64Å; F334-F339 HydrophobicContact CB-CZ 4.02Å; F334-F339 HydrophobicContact CD2-CZ 4.37Å; F334-F339 HydrophobicContact CG-CE2 4.39Å; F334-F339 HydrophobicContact CG-CZ 4.29Å; L335-F339 WeakPolarHBondContact O-CD2 3.22Å; I336-F339 PolarHBondContact O-N 3.38Å; F339-A342 PolarHBondContact O-N 3.03Å; F339-L343 WeakPolarHBondContact O-CG 3.49Å; F339-L343 PolarHBondContact O-N 3.16Å
340	I	97	Very high	93.7	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62.9	-45.8	176.4	-62.2	172.9	0	0	0	109.8	Y220 W253 T313 I336 A342 L343 Q344 A347 F349 W426 F430	Y220-I340 HydrophobicContact CE2-CG2 4.36Å; W253-I340 HydrophobicContact CD2-CD1 4.08Å; W253-I340 HydrophobicContact CD2-CG1 3.85Å; W253-I340 HydrophobicContact CE3-CG1 3.93Å; W253-I340 HydrophobicContact CG-CD1 4.28Å; W253-I340 HydrophobicContact CH2-CG1 3.9Å; W253-I340 HydrophobicContact CZ2-CG1 3.82Å; W253-I340 HydrophobicContact CZ3-CG1 3.96Å; T313-I340 HydrophobicContact CG2-CD1 4.18Å; I336-I340 HydrophobicContact CG2-CD1 3.64Å; I336-I340 HydrophobicContact CG2-CG1 4.25Å; I336-I340 PolarHBondContact O-N 3.12Å; I336-I340 VanDerWaalsContact O-N 3.09Å; I340-A342 PolarHBondContact O-N 3.18Å; I340-L343 PolarHBondContact O-N 3.12Å; I340-Q344 HydrophobicContact CG2-CB 4.5Å; I340-Q344 CarbonylContact O-C 3.52Å; I340-Q344 WeakPolarHBondContact O-CA 3.47Å; I340-Q344 PolarHBondContact O-N 3.05Å; I340-A347 HydrophobicContact CG2-CB 4.17Å; I340-F349 HydrophobicContact CD1-CE1 4.48Å; I340-F349 HydrophobicContact CG2-CE1 4.14Å; I340-F349 HydrophobicContact CG2-CZ 3.84Å; I340-W426 HydrophobicContact CD1-CH2 3.96Å; I340-F430 HydrophobicContact CB-CZ 4.37Å; I340-F430 HydrophobicContact CG2-CZ 4.04Å
341	H	96.4	Very high	94.6	Very high	59 Å²	59	24 Å²	24	27%	0.273	12%	0.123	S	C	.	.	H	α-helix	trans	-63.1	-39.8	179	179.7	-101.6	0	0	0	112.6	Q337 L343 P345 V429 F430	Q337-H341 VanDerWaalsContact O-CB 3.23Å; Q337-H341 WeakPolarHBondContact O-CB 3.48Å; Q337-H341 PolarHBondContact O-N 2.91Å; H341-L343 PolarHBondContact O-N 3.22Å; H341-P345 WeakPolarHBondContact O-CA 3.12Å; H341-P345 WeakPolarHBondContact O-CD 3.3Å; H341-V429 HydrophobicContact CB-CG1 3.31Å; H341-V429 VanDerWaalsContact CG-CG1 3.4Å; H341-F430 HydrophobicContact CB-CE1 4Å; H341-F430 HydrophobicContact CB-CE2 3.96Å; H341-F430 HydrophobicContact CB-CZ 3.53Å; H341-F430 AromaticContact CD2-CE1 3.76Å
342	A	95.8	Very high	95.2	Very high	19 Å²	19	22.4 Å²	22.4	16%	0.157	12%	0.115	C	C	.	.	H	α-helix	trans	-65	-22.9	178.4	0	0	0	0	0	114.1	R136 L139 F147 D338 F339 I340	R136-A342 HydrophobicContact CG-CB 4.41Å; L139-A342 HydrophobicContact CD1-CB 3.76Å; F147-A342 HydrophobicContact CE1-CB 3.88Å; F147-A342 HydrophobicContact CZ-CB 3.92Å; D338-A342 WeakPolarHBondContact O-CB 3.35Å; D338-A342 PolarHBondContact O-N 3.24Å; F339-A342 PolarHBondContact O-N 3.03Å; I340-A342 PolarHBondContact O-N 3.18Å
343	L	95.5	Very high	95.8	Very high	14 Å²	14	22.1 Å²	22.1	7%	0.073	11%	0.114	C	C	.	.	H	α-helix	trans	-102.7	-34.9	179.3	-67.5	168	0	0	0	112.7	M146 F147 I150 F154 W253 F339 I340 H341	M146-L343 HydrophobicContact CE-CD1 3.8Å; M146-L343 HydrophobicContact CG-CD1 4.07Å; M146-L343 HydrophobicContact SD-CD1 3.75Å; F147-L343 HydrophobicContact CD1-CD2 3.59Å; F147-L343 HydrophobicContact CD1-CG 4.36Å; F147-L343 HydrophobicContact CE1-CD2 3.61Å; F147-L343 HydrophobicContact CE1-CG 3.89Å; F147-L343 HydrophobicContact CG-CD2 4.45Å; F147-L343 HydrophobicContact CZ-CD2 4.5Å; F147-L343 HydrophobicContact CZ-CG 4.44Å; I150-L343 HydrophobicContact CB-CD2 4.02Å; I150-L343 HydrophobicContact CD1-CD1 3.91Å; I150-L343 HydrophobicContact CD1-CD2 4.3Å; I150-L343 HydrophobicContact CG2-CD2 3.91Å; F154-L343 WeakPolarHBondContact CE2-O 3.46Å; W253-L343 HydrophobicContact CH2-CD1 3.76Å; W253-L343 HydrophobicContact CZ3-CD1 4.41Å; F339-L343 WeakPolarHBondContact O-CG 3.49Å; F339-L343 PolarHBondContact O-N 3.16Å; I340-L343 PolarHBondContact O-N 3.12Å; H341-L343 PolarHBondContact O-N 3.22Å
344	Q	96.1	Very high	96.3	Very high	5 Å²	5	21.9 Å²	21.9	2%	0.023	11%	0.107	C	C	.	.			trans	-142.8	71.2	-170.4	-62.3	171.8	-107.3	0	0	109.9	P161 L216 P217 Y220 I340 E346 A347	P161-Q344 HydrophobicContact CG-CG 4.33Å; L216-Q344 HydrophobicContact CB-CG 4.45Å; L216-Q344 HydrophobicContact CD1-CG 3.75Å; P217-Q344 PolarHBondContact O-NE2 3.29Å; Y220-Q344 VanDerWaalsContact OH-CD 3.24Å; Y220-Q344 PolarHBondContact OH-NE2 3.16Å; Y220-Q344 PolarHBondContact OH-OE1 3.27Å; I340-Q344 HydrophobicContact CG2-CB 4.5Å; I340-Q344 CarbonylContact O-C 3.52Å; I340-Q344 WeakPolarHBondContact O-CA 3.47Å; I340-Q344 PolarHBondContact O-N 3.05Å; Q344-E346 PolarHBondContact O-N 2.62Å; Q344-E346 VanDerWaalsContact O-N 3.17Å; Q344-A347 HydrophobicContact CB-CB 4.02Å; Q344-A347 VanDerWaalsContact O-CB 3.28Å; Q344-A347 WeakPolarHBondContact O-CB 3.31Å; Q344-A347 PolarHBondContact O-N 3.47Å; Q344-A347 VanDerWaalsContact O-N 3.09Å
345	P	95.1	Very high	96.7	Very high	58 Å²	58	21.2 Å²	21.2	38%	0.377	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-26.6	-177.3	24	-33.6	0	0	0	112.9	H341 Q434	H341-P345 WeakPolarHBondContact O-CA 3.12Å; H341-P345 WeakPolarHBondContact O-CD 3.3Å; P345-Q434 PolarHBondContact O-NE2 3.02Å
346	E	95.4	Very high	97	Very high	152 Å²	152	21.2 Å²	21.2	71%	0.71	11%	0.105	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.5	8.7	179.7	-57.8	-55.9	137.2	0	0	114.1	Q344	Q344-E346 PolarHBondContact O-N 2.62Å; Q344-E346 VanDerWaalsContact O-N 3.17Å
347	A	97.4	Very high	97.2	Very high	4 Å²	4	21 Å²	21	3%	0.033	10%	0.104	C	C	.	.			trans	-59.8	147	179.8	0	0	0	0	0	112	Y220 I340 Q344 F349 F430 Q434	Y220-A347 HydrophobicContact CD2-CB 4.35Å; Y220-A347 HydrophobicContact CE2-CB 3.99Å; I340-A347 HydrophobicContact CG2-CB 4.17Å; Q344-A347 HydrophobicContact CB-CB 4.02Å; Q344-A347 VanDerWaalsContact O-CB 3.28Å; Q344-A347 WeakPolarHBondContact O-CB 3.31Å; Q344-A347 PolarHBondContact O-N 3.47Å; Q344-A347 VanDerWaalsContact O-N 3.09Å; A347-F349 HydrophobicContact CB-CE1 4.28Å; A347-F349 HydrophobicContact CB-CE2 3.95Å; A347-F349 HydrophobicContact CB-CZ 3.53Å; A347-F349 WeakPolarHBondContact O-CE2 3.24Å; A347-F430 HydrophobicContact CB-CE1 4.45Å; A347-Q434 PolarHBondContact O-NE2 3.31Å
348	R	98.6	Very high	97.2	Very high	59 Å²	59	23 Å²	23	22%	0.223	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	143.6	176.7	-65.5	-175.2	-178.1	-123	-8.1	111.5	Y218 F219 Y220 F457	Y218-R348 PolarHBondContact O-N 2.86Å; Y218-R348 PolarHBondContact OH-NE 3.22Å; F219-R348 CarbonylContact C-O 3.57Å; F219-R348 WeakPolarHBondContact CA-O 3.49Å; F219-R348 HydrophobicContact CB-CB 4.05Å; Y220-R348 PolarHBondContact N-O 2.97Å; R348-F457 HydrophobicContact CB-CE1 3.83Å; R348-F457 HydrophobicContact CB-CZ 3.83Å; R348-F457 WeakPolarHBondContact CD-O 3.35Å; R348-F457 HydrophobicContact CG-CZ 4.31Å; R348-F457 PolarHBondContact NH1-O 3.15Å
349	F	98.9	Very high	97.3	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	132.6	-174.1	-54.4	-78.5	0	0	0	111.1	Y220 I222 I340 A347 W426 F430 Q434 I435 L436 F457	Y220-F349 HydrophobicContact CD2-CD1 4.09Å; Y220-F349 AromaticContact CD2-CE1 3.63Å; Y220-F349 HydrophobicContact CD2-CE1 3.63Å; Y220-F349 HydrophobicContact CD2-CZ 4.41Å; Y220-F349 HydrophobicContact CE2-CE1 4.35Å; Y220-F349 HydrophobicContact CG-CD1 4.29Å; Y220-F349 HydrophobicContact CG-CE1 4.08Å; Y220-F349 CarbonylContact O-C 3.51Å; Y220-F349 WeakPolarHBondContact O-CA 3.45Å; I222-F349 HydrophobicContact CD1-CB 4.01Å; I222-F349 HydrophobicContact CD1-CD1 4.2Å; I222-F349 HydrophobicContact CD1-CG 4.34Å; I222-F349 HydrophobicContact CG1-CB 4.41Å; I222-F349 HydrophobicContact CG2-CD1 3.74Å; I222-F349 HydrophobicContact CG2-CE1 4.46Å; I340-F349 HydrophobicContact CD1-CE1 4.48Å; I340-F349 HydrophobicContact CG2-CE1 4.14Å; I340-F349 HydrophobicContact CG2-CZ 3.84Å; A347-F349 HydrophobicContact CB-CE1 4.28Å; A347-F349 HydrophobicContact CB-CE2 3.95Å; A347-F349 HydrophobicContact CB-CZ 3.53Å; A347-F349 WeakPolarHBondContact O-CE2 3.24Å; F349-W426 HydrophobicContact CD1-CE3 4.25Å; F349-W426 HydrophobicContact CD1-CH2 4.01Å; F349-W426 AromaticContact CD1-CZ3 3.51Å; F349-W426 HydrophobicContact CD1-CZ3 3.51Å; F349-W426 HydrophobicContact CD2-CE3 4.38Å; F349-W426 HydrophobicContact CD2-CZ3 4.22Å; F349-W426 HydrophobicContact CE1-CE3 4.35Å; F349-W426 AromaticContact CE1-CH2 3.85Å; F349-W426 HydrophobicContact CE1-CH2 3.85Å; F349-W426 AromaticContact CE1-CZ3 3.33Å; F349-W426 HydrophobicContact CE1-CZ3 3.33Å; F349-W426 HydrophobicContact CE2-CE3 4.45Å; F349-W426 HydrophobicContact CE2-CZ3 4.06Å; F349-W426 HydrophobicContact CG-CE3 4.29Å; F349-W426 AromaticContact CG-CZ3 3.98Å; F349-W426 HydrophobicContact CG-CZ3 3.98Å; F349-W426 HydrophobicContact CZ-CE3 4.44Å; F349-W426 HydrophobicContact CZ-CH2 4.49Å; F349-W426 AromaticContact CZ-CZ3 3.62Å; F349-W426 HydrophobicContact CZ-CZ3 3.62Å; F349-F430 HydrophobicContact CD2-CD2 4.39Å; F349-F430 HydrophobicContact CD2-CG 4.31Å; F349-F430 HydrophobicContact CE2-CB 4.44Å; F349-F430 AromaticContact CE2-CD1 3.62Å; F349-F430 HydrophobicContact CE2-CD1 3.62Å; F349-F430 AromaticContact CE2-CD2 3.65Å; F349-F430 HydrophobicContact CE2-CD2 3.65Å; F349-F430 AromaticContact CE2-CE1 3.58Å; F349-F430 HydrophobicContact CE2-CE1 3.58Å; F349-F430 AromaticContact CE2-CE2 3.61Å; F349-F430 HydrophobicContact CE2-CE2 3.61Å; F349-F430 AromaticContact CE2-CG 3.63Å; F349-F430 HydrophobicContact CE2-CG 3.63Å; F349-F430 AromaticContact CE2-CZ 3.56Å; F349-F430 HydrophobicContact CE2-CZ 3.56Å; F349-F430 HydrophobicContact CZ-CD1 4.36Å; F349-F430 HydrophobicContact CZ-CD2 4.1Å; F349-F430 AromaticContact CZ-CE1 3.88Å; F349-F430 HydrophobicContact CZ-CE1 3.88Å; F349-F430 AromaticContact CZ-CE2 3.59Å; F349-F430 HydrophobicContact CZ-CE2 3.59Å; F349-F430 HydrophobicContact CZ-CG 4.44Å; F349-F430 AromaticContact CZ-CZ 3.45Å; F349-F430 HydrophobicContact CZ-CZ 3.45Å; F349-F430 VanDerWaalsContact CZ-CZ 3.45Å; F349-Q434 PolarHBondContact N-O 3.34Å; F349-I435 HydrophobicContact CB-CG1 4.3Å; F349-I435 HydrophobicContact CB-CG2 4.45Å; F349-I435 HydrophobicContact CD2-CG1 4.17Å; F349-I435 CarbonylContact O-C 3.58Å; F349-I435 WeakPolarHBondContact O-CA 3.5Å; F349-L436 PolarHBondContact O-N 2.97Å; F349-F457 WeakPolarHBondContact O-CZ 3.41Å
350	I	98.9	Very high	97.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	130	172.5	-55.6	171.7	0	0	0	108.5	F219 Y220 I221 I222 L232 L436 L438 V454 F457 L458	F219-I350 HydrophobicContact CD2-CD1 3.98Å; F219-I350 HydrophobicContact CE2-CD1 4.25Å; Y220-I350 PolarHBondContact O-N 3.2Å; I221-I350 WeakPolarHBondContact CA-O 3.33Å; I221-I350 HydrophobicContact CG1-CB 4.46Å; I222-I350 PolarHBondContact N-O 2.98Å; I222-I350 VanDerWaalsContact N-O 3.07Å; L232-I350 HydrophobicContact CD2-CG2 3.8Å; I350-L436 WeakPolarHBondContact CA-O 3.5Å; I350-L436 HydrophobicContact CG1-CB 4.47Å; I350-L438 HydrophobicContact CG2-CD1 3.97Å; I350-V454 HydrophobicContact CD1-CG1 3.72Å; I350-F457 HydrophobicContact CD1-CD1 4.4Å; I350-F457 HydrophobicContact CG1-CD1 4.01Å; I350-F457 HydrophobicContact CG1-CE1 3.77Å; I350-L458 HydrophobicContact CD1-CD1 4.14Å; I350-L458 HydrophobicContact CD1-CD2 4.34Å; I350-L458 HydrophobicContact CD1-CG 4.39Å
351	V	98.7	Very high	97.4	Very high	1 Å²	1	23 Å²	23	1%	0.006	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	116.6	-177.7	-177.6	0	0	0	0	108	I222 M314 L353 I435 L436 V437 L438	I222-V351 HydrophobicContact CD1-CG2 3.87Å; I222-V351 HydrophobicContact CG1-CG2 3.79Å; M314-V351 HydrophobicContact CE-CG1 4.15Å; M314-V351 HydrophobicContact SD-CB 4.41Å; M314-V351 HydrophobicContact SD-CG1 3.57Å; M314-V351 VanDerWaalsContact SD-CG1 3.57Å; M314-V351 HydrophobicContact SD-CG2 3.88Å; V351-L353 HydrophobicContact CG1-CD2 3.69Å; V351-L353 HydrophobicContact CG1-CG 4.03Å; V351-I435 HydrophobicContact CG2-CG2 3.92Å; V351-L436 PolarHBondContact N-O 3.2Å; V351-V437 HydrophobicContact CB-CG1 4.35Å; V351-V437 HydrophobicContact CB-CG2 4.15Å; V351-V437 HydrophobicContact CG1-CG1 4.28Å; V351-V437 CarbonylContact O-C 3.5Å; V351-V437 WeakPolarHBondContact O-CA 3.38Å; V351-L438 PolarHBondContact O-N 3.48Å
352	M	98.3	Very high	97.4	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	123.4	169.3	-71.3	-164.7	75.5	0	0	110.4	G223 Q224 C227 G228 T229 L232 L438 L440 H443	G223-M352 CarbonylContact C-O 3.5Å; G223-M352 PolarHBondContact O-N 2.77Å; Q224-M352 PolarHBondContact N-O 2.87Å; Q224-M352 PolarHBondContact OE1-O 3.07Å; C227-M352 HydrophobicContact CB-CB 4.19Å; C227-M352 WeakPolarHBondContact CB-O 3.47Å; C227-M352 WeakPolarHBondContact O-CB 3.27Å; C227-M352 VanDerWaalsContact O-CE 3.26Å; C227-M352 WeakPolarHBondContact O-CE 3.45Å; G228-M352 VanDerWaalsContact C-SD 3.54Å; T229-M352 HydrophobicContact CG2-CB 4.23Å; L232-M352 HydrophobicContact CB-SD 3.55Å; L232-M352 VanDerWaalsContact CB-SD 3.55Å; L232-M352 HydrophobicContact CD2-CG 3.87Å; L232-M352 HydrophobicContact CD2-SD 3.74Å; L232-M352 HydrophobicContact CG-SD 4.25Å; M352-L438 HydrophobicContact CG-CB 4.37Å; M352-L438 HydrophobicContact CG-CD1 4.45Å; M352-L440 HydrophobicContact CE-CD1 3.92Å; M352-H443 HydrophobicContact CE-CB 4.19Å
353	L	98.6	Very high	97.3	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	160.5	175.7	-55.8	-173.4	0	0	0	110.9	Q224 V351 Y419 V437 L438 R439 L440 L509 F518 W520	Q224-L353 HydrophobicContact CB-CD2 4.37Å; Q224-L353 HydrophobicContact CG-CD2 4.11Å; Q224-L353 VanDerWaalsContact NE2-CD2 3.31Å; V351-L353 HydrophobicContact CG1-CD2 3.69Å; V351-L353 HydrophobicContact CG1-CG 4.03Å; L353-Y419 HydrophobicContact CB-CD2 4.47Å; L353-Y419 HydrophobicContact CB-CE2 4.26Å; L353-Y419 HydrophobicContact CD1-CD2 4.03Å; L353-Y419 HydrophobicContact CD1-CG 4.25Å; L353-Y419 HydrophobicContact CD2-CD1 3.86Å; L353-Y419 HydrophobicContact CD2-CD2 3.98Å; L353-Y419 HydrophobicContact CD2-CE1 4.07Å; L353-Y419 HydrophobicContact CD2-CE2 4.2Å; L353-Y419 HydrophobicContact CD2-CG 3.77Å; L353-Y419 HydrophobicContact CG-CD2 4.41Å; L353-V437 HydrophobicContact CD1-CG1 3.6Å; L353-V437 HydrophobicContact CG-CG1 3.88Å; L353-L438 PolarHBondContact N-O 3.43Å; L353-R439 CarbonylContact O-C 3.17Å; L353-R439 WeakPolarHBondContact O-CA 3.31Å; L353-L440 WeakPolarHBondContact O-CB 3.44Å; L353-L440 PolarHBondContact O-N 3.09Å; L353-L509 HydrophobicContact CD1-CD1 4.48Å; L353-L509 HydrophobicContact CD1-CD2 3.9Å; L353-F518 HydrophobicContact CB-CE1 4.17Å; L353-F518 HydrophobicContact CD1-CD1 3.99Å; L353-F518 HydrophobicContact CD1-CE1 3.79Å; L353-F518 HydrophobicContact CG-CE1 4.35Å; L353-W520 HydrophobicContact CB-CH2 4.26Å; L353-W520 HydrophobicContact CB-CZ2 4.12Å; L353-W520 HydrophobicContact CD1-CH2 4.49Å
354	R	97.5	Very high	97.3	Very high	41 Å²	41	19.5 Å²	19.5	16%	0.155	9%	0.094	C	C	.	.			trans	-139.9	162.9	174.3	-176.9	-173.1	-178.1	-178.5	-8.5	106.8	C227 P356 E358 R359 Y419 L440 E441 W520	C227-R354 HydrophobicContact CB-CB 4.16Å; R354-P356 WeakPolarHBondContact O-CD 3.49Å; R354-E358 IonicContact CZ-OE2 3.81Å; R354-E358 IonicContact NH2-OE2 3.94Å; R354-E358 PolarHBondContact NH2-OE2 2.84Å; R354-R359 HydrophobicContact CB-CB 4.48Å; R354-Y419 VanDerWaalsContact O-CE2 3.26Å; R354-Y419 WeakPolarHBondContact O-CE2 3.21Å; R354-Y419 PolarHBondContact O-OH 3.2Å; R354-L440 HydrophobicContact CB-CB 4.12Å; R354-L440 HydrophobicContact CB-CD2 4.25Å; R354-L440 HydrophobicContact CG-CB 4.34Å; R354-L440 HydrophobicContact CG-CD2 3.99Å; R354-E441 VanDerWaalsContact CG-OE1 3.29Å; R354-E441 WeakPolarHBondContact CG-OE1 3.43Å; R354-W520 VanDerWaalsContact C-CZ2 3.48Å; R354-W520 VanDerWaalsContact O-CZ2 3.26Å; R354-W520 WeakPolarHBondContact O-CZ2 3.39Å
355	D	98.4	Very high	97.2	Very high	22 Å²	22	19.4 Å²	19.4	12%	0.118	9%	0.094	C	C	.	.			trans	-42.8	117.4	163.3	176.6	-10.4	0	0	0	109.9	V357 E358 R359 E441 W520	D355-V357 PolarHBondContact O-N 2.97Å; D355-V357 VanDerWaalsContact OD1-CB 3.29Å; D355-V357 WeakPolarHBondContact OD1-CB 3.3Å; D355-V357 WeakPolarHBondContact OD1-CG2 3.06Å; D355-V357 PolarHBondContact OD1-N 3.2Å; D355-E358 HydrophobicContact CB-CB 4.12Å; D355-E358 HydrophobicContact CB-CG 4.46Å; D355-E358 PolarHBondContact O-N 3Å; D355-R359 WeakPolarHBondContact O-CB 3.42Å; D355-R359 PolarHBondContact O-N 2.94Å; D355-E441 PolarHBondContact N-OE1 3.17Å; D355-W520 HydrophobicContact CB-CB 4.31Å; D355-W520 HydrophobicContact CB-CD2 4.44Å; D355-W520 HydrophobicContact CB-CG 3.91Å; D355-W520 VanDerWaalsContact N-NE1 3.13Å
356	P	98.5	Very high	96.9	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-63.5	-26.1	-173.3	25	-34.7	0	0	0	112.8	R354 L360 Y419 Y502 W520	R354-P356 WeakPolarHBondContact O-CD 3.49Å; P356-L360 WeakPolarHBondContact O-CB 3.39Å; P356-L360 PolarHBondContact O-N 2.9Å; P356-Y419 HydrophobicContact CB-CE2 3.95Å; P356-Y419 HydrophobicContact CG-CE2 4.41Å; P356-Y502 HydrophobicContact CB-CD1 3.92Å; P356-Y502 HydrophobicContact CB-CD2 3.92Å; P356-Y502 HydrophobicContact CB-CE1 4.01Å; P356-Y502 HydrophobicContact CB-CE2 3.98Å; P356-Y502 HydrophobicContact CB-CG 3.9Å; P356-Y502 HydrophobicContact CG-CD1 4.08Å; P356-Y502 HydrophobicContact CG-CD2 3.95Å; P356-Y502 HydrophobicContact CG-CG 3.71Å; P356-W520 HydrophobicContact CG-CE3 4.37Å; P356-W520 HydrophobicContact CG-CZ3 4.38Å
357	V	98.3	Very high	96.5	Very high	2 Å²	2	19 Å²	19	1%	0.012	8%	0.082	C	C	.	.	H	α-helix	trans	-65.4	-53.4	174.5	-178.8	0	0	0	0	109.6	D355 R359 L360 Y361 M490 K495 L498 Q499 Y502	D355-V357 PolarHBondContact O-N 2.97Å; D355-V357 VanDerWaalsContact OD1-CB 3.29Å; D355-V357 WeakPolarHBondContact OD1-CB 3.3Å; D355-V357 WeakPolarHBondContact OD1-CG2 3.06Å; D355-V357 PolarHBondContact OD1-N 3.2Å; V357-R359 VanDerWaalsContact C-N 3.31Å; V357-R359 PolarHBondContact O-N 3.16Å; V357-L360 PolarHBondContact O-N 3.25Å; V357-Y361 PolarHBondContact O-N 2.94Å; V357-Y361 VanDerWaalsContact O-N 3.08Å; V357-M490 HydrophobicContact CG1-CE 3.83Å; V357-M490 HydrophobicContact CG1-SD 3.8Å; V357-K495 HydrophobicContact CG1-CG 4.2Å; V357-L498 HydrophobicContact CB-CB 4.34Å; V357-L498 HydrophobicContact CG1-CB 3.84Å; V357-L498 HydrophobicContact CG1-CD1 3.98Å; V357-L498 HydrophobicContact CG2-CB 3.86Å; V357-Q499 HydrophobicContact CG2-CG 3.94Å; V357-Y502 HydrophobicContact CG2-CD2 3.93Å
358	E	97.1	Very high	94.8	Very high	43 Å²	43	22.3 Å²	22.3	20%	0.201	12%	0.117	C	C	.	.	H	α-helix	trans	-67.1	-31.6	177.6	-82.7	-60.6	141.9	0	0	113.1	R354 D355 S362 R480	R354-E358 IonicContact CZ-OE2 3.81Å; R354-E358 IonicContact NH2-OE2 3.94Å; R354-E358 PolarHBondContact NH2-OE2 2.84Å; D355-E358 HydrophobicContact CB-CB 4.12Å; D355-E358 HydrophobicContact CB-CG 4.46Å; D355-E358 PolarHBondContact O-N 3Å; E358-S362 VanDerWaalsContact O-CB 3.25Å; E358-S362 WeakPolarHBondContact O-CB 3.42Å; E358-S362 PolarHBondContact O-N 3.24Å; E358-R480 IonicContact OE2-NH2 2.88Å; E358-R480 PolarHBondContact OE2-NH2 3.4Å; E358-R480 VanDerWaalsContact OE2-NH2 3.11Å
359	R	97.7	Very high	93.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62.8	-49.7	172.3	-174.7	-134.6	62.2	92.3	-7.1	110.5	P225 K226 R354 D355 V357 Y361 S362 D363 R413 Y419	P225-R359 WeakPolarHBondContact O-CG 3.39Å; K226-R359 HydrophobicContact CB-CG 4.02Å; R354-R359 HydrophobicContact CB-CB 4.48Å; D355-R359 WeakPolarHBondContact O-CB 3.42Å; D355-R359 PolarHBondContact O-N 2.94Å; V357-R359 VanDerWaalsContact C-N 3.31Å; V357-R359 PolarHBondContact O-N 3.16Å; R359-Y361 VanDerWaalsContact C-N 3.34Å; R359-Y361 PolarHBondContact O-N 3.17Å; R359-S362 PolarHBondContact O-N 2.98Å; R359-D363 IonicContact NH1-OD2 2.63Å; R359-D363 WeakPolarHBondContact O-CB 3.44Å; R359-D363 PolarHBondContact O-N 2.92Å; R359-R413 PolarHBondContact NH2-O 2.98Å; R359-Y419 WeakPolarHBondContact CD-OH 3.39Å
360	L	97.9	Very high	92.2	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-60.2	-45.3	179.6	-176.7	69.7	0	0	0	111.2	P356 V357 D363 Y364 F377 V381 V412 R413 L414 L498	P356-L360 WeakPolarHBondContact O-CB 3.39Å; P356-L360 PolarHBondContact O-N 2.9Å; V357-L360 PolarHBondContact O-N 3.25Å; L360-D363 WeakPolarHBondContact O-CA 2.92Å; L360-D363 WeakPolarHBondContact O-CB 3.49Å; L360-D363 PolarHBondContact O-N 2.95Å; L360-D363 VanDerWaalsContact O-N 3.08Å; L360-Y364 PolarHBondContact O-N 3.32Å; L360-F377 HydrophobicContact CD2-CE2 4.4Å; L360-F377 HydrophobicContact CD2-CZ 4.07Å; L360-F377 HydrophobicContact CG-CE2 4.17Å; L360-F377 HydrophobicContact CG-CZ 4.08Å; L360-V381 HydrophobicContact CD2-CG2 4.19Å; L360-V412 HydrophobicContact CD1-CB 4.02Å; L360-V412 HydrophobicContact CD1-CG2 4.33Å; L360-V412 HydrophobicContact CD2-CG2 4.41Å; L360-R413 WeakPolarHBondContact CD1-O 3.36Å; L360-L414 HydrophobicContact CD2-CD2 3.52Å; L360-L498 HydrophobicContact CD2-CD1 3.9Å; L360-L498 HydrophobicContact CD2-CD2 3.68Å; L360-L498 HydrophobicContact CD2-CG 4.47Å
361	Y	96.6	Very high	91.4	Very high	1 Å²	1	33.9 Å²	33.9	0%	0.004	19%	0.194	C	C	.	.	H	α-helix	trans	-65.3	-41.6	177.2	-174.2	-128.7	0	0	0	112.2	V357 R359 D363 Y364 L365 F377 L487 G488 M490	V357-Y361 PolarHBondContact O-N 2.94Å; V357-Y361 VanDerWaalsContact O-N 3.08Å; R359-Y361 VanDerWaalsContact C-N 3.34Å; R359-Y361 PolarHBondContact O-N 3.17Å; Y361-D363 PolarHBondContact O-N 2.82Å; Y361-Y364 HydrophobicContact CD2-CD1 4.09Å; Y361-Y364 HydrophobicContact CE2-CD1 4.06Å; Y361-Y364 HydrophobicContact CE2-CE1 4.41Å; Y361-Y364 PolarHBondContact O-N 2.75Å; Y361-L365 HydrophobicContact CD1-CD1 4.07Å; Y361-L365 HydrophobicContact CD2-CG 4.48Å; Y361-L365 HydrophobicContact CE1-CD1 3.79Å; Y361-L365 HydrophobicContact CE1-CG 4.49Å; Y361-L365 HydrophobicContact CE2-CD1 4.43Å; Y361-L365 HydrophobicContact CE2-CD2 4.34Å; Y361-L365 HydrophobicContact CE2-CG 4.27Å; Y361-L365 WeakPolarHBondContact O-CG 3.44Å; Y361-L365 PolarHBondContact O-N 2.97Å; Y361-F377 AromaticContact CD2-CD1 3.52Å; Y361-F377 HydrophobicContact CD2-CD1 3.52Å; Y361-F377 HydrophobicContact CD2-CD2 4.09Å; Y361-F377 AromaticContact CD2-CE1 3.59Å; Y361-F377 HydrophobicContact CD2-CE1 3.59Å; Y361-F377 HydrophobicContact CD2-CE2 4.15Å; Y361-F377 AromaticContact CD2-CG 3.77Å; Y361-F377 HydrophobicContact CD2-CG 3.77Å; Y361-F377 AromaticContact CD2-CZ 3.91Å; Y361-F377 HydrophobicContact CD2-CZ 3.91Å; Y361-F377 HydrophobicContact CE2-CB 4.34Å; Y361-F377 AromaticContact CE2-CD1 3.92Å; Y361-F377 HydrophobicContact CE2-CD1 3.92Å; Y361-F377 HydrophobicContact CE2-CE1 4.41Å; Y361-F377 HydrophobicContact CE2-CG 4.06Å; Y361-F377 HydrophobicContact CG-CE1 4.2Å; Y361-F377 HydrophobicContact CG-CZ 4.4Å; Y361-L487 WeakPolarHBondContact OH-CD2 3.31Å; Y361-G488 WeakPolarHBondContact CE1-O 3.46Å; Y361-G488 PolarHBondContact OH-O 3.12Å; Y361-M490 HydrophobicContact CD1-CB 4.36Å; Y361-M490 HydrophobicContact CD1-CE 3.8Å; Y361-M490 HydrophobicContact CD2-CB 4Å; Y361-M490 HydrophobicContact CD2-CE 4.47Å; Y361-M490 HydrophobicContact CE1-CB 4.27Å; Y361-M490 HydrophobicContact CE2-CB 3.91Å; Y361-M490 HydrophobicContact CG-CB 4.22Å; Y361-M490 HydrophobicContact CG-CE 3.65Å
362	S	95.4	Very high	90.9	Very high	9 Å²	9	35.8 Å²	35.8	6%	0.063	20%	0.202	C	C	.	.	H	α-helix	trans	-61.6	-27.4	172.9	-171.4	0	0	0	0	113.1	K226 E358 R359 Y366	K226-S362 VanDerWaalsContact CE-O 3.3Å; K226-S362 WeakPolarHBondContact CE-O 3.34Å; K226-S362 VanDerWaalsContact CE-OG 3.31Å; K226-S362 WeakPolarHBondContact CE-OG 3.22Å; E358-S362 VanDerWaalsContact O-CB 3.25Å; E358-S362 WeakPolarHBondContact O-CB 3.42Å; E358-S362 PolarHBondContact O-N 3.24Å; R359-S362 PolarHBondContact O-N 2.98Å; S362-Y366 WeakPolarHBondContact O-CB 3.43Å; S362-Y366 PolarHBondContact O-N 3.22Å
363	D	95.3	Very high	90.7	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.021	21%	0.213	C	C	.	.	H	α-helix	trans	-74.6	-47.7	177.7	-158.5	52.1	0	0	0	111.8	K226 R359 L360 Y361 L365 Y366 F367 R413	K226-D363 HydrophobicContact CG-CB 3.95Å; K226-D363 VanDerWaalsContact CG-OD1 3.3Å; K226-D363 WeakPolarHBondContact CG-OD1 3.48Å; R359-D363 IonicContact NH1-OD2 2.63Å; R359-D363 WeakPolarHBondContact O-CB 3.44Å; R359-D363 PolarHBondContact O-N 2.92Å; L360-D363 WeakPolarHBondContact O-CA 2.92Å; L360-D363 WeakPolarHBondContact O-CB 3.49Å; L360-D363 PolarHBondContact O-N 2.95Å; L360-D363 VanDerWaalsContact O-N 3.08Å; Y361-D363 PolarHBondContact O-N 2.82Å; D363-L365 VanDerWaalsContact C-N 3.31Å; D363-L365 PolarHBondContact O-N 3.11Å; D363-Y366 WeakPolarHBondContact O-CB 3.27Å; D363-Y366 PolarHBondContact O-N 3.24Å; D363-F367 VanDerWaalsContact O-CD2 3.26Å; D363-F367 WeakPolarHBondContact O-CD2 3.24Å; D363-F367 PolarHBondContact O-N 3.2Å; D363-R413 IonicContact OD1-CZ 3.75Å; D363-R413 IonicContact OD1-NE 2.81Å; D363-R413 IonicContact OD1-NH2 3.52Å; D363-R413 PolarHBondContact OD1-NH2 3.2Å; D363-R413 IonicContact OD2-CZ 3.95Å; D363-R413 IonicContact OD2-NE 3.42Å; D363-R413 PolarHBondContact OD2-NE 3.49Å; D363-R413 IonicContact OD2-NH2 3.37Å; D363-R413 PolarHBondContact OD2-NH2 2.93Å
364	Y	94.8	Very high	90.4	Very high	7 Å²	7	37.9 Å²	37.9	3%	0.027	22%	0.217	C	C	.	.	H	α-helix	trans	-53.1	-48.1	170.8	165.6	-100.5	0	0	0	111.8	L360 Y361 Y366 I369 K372 S373 D376 F377 K380 V412	L360-Y364 PolarHBondContact O-N 3.32Å; Y361-Y364 HydrophobicContact CD2-CD1 4.09Å; Y361-Y364 HydrophobicContact CE2-CD1 4.06Å; Y361-Y364 HydrophobicContact CE2-CE1 4.41Å; Y361-Y364 PolarHBondContact O-N 2.75Å; Y364-Y366 PolarHBondContact O-N 3Å; Y364-I369 HydrophobicContact CE2-CD1 4.49Å; Y364-K372 HydrophobicContact CE1-CB 4.11Å; Y364-K372 HydrophobicContact CE1-CG 4.25Å; Y364-K372 VanDerWaalsContact OH-CA 3.23Å; Y364-K372 WeakPolarHBondContact OH-CA 3.37Å; Y364-K372 WeakPolarHBondContact OH-CB 3.22Å; Y364-S373 PolarHBondContact OH-N 3.42Å; Y364-S373 VanDerWaalsContact OH-N 3.14Å; Y364-S373 PolarHBondContact OH-O 2.97Å; Y364-D376 WeakPolarHBondContact CE2-OD2 3.32Å; Y364-D376 VanDerWaalsContact CZ-OD2 3.23Å; Y364-D376 PolarHBondContact OH-OD2 3.11Å; Y364-F377 HydrophobicContact CD1-CB 4Å; Y364-F377 AromaticContact CD1-CD2 3.71Å; Y364-F377 HydrophobicContact CD1-CD2 3.71Å; Y364-F377 HydrophobicContact CD1-CG 4.06Å; Y364-F377 AromaticContact CD2-CD2 3.8Å; Y364-F377 HydrophobicContact CD2-CD2 3.8Å; Y364-F377 HydrophobicContact CE1-CB 3.79Å; Y364-F377 HydrophobicContact CE1-CD2 4.35Å; Y364-F377 HydrophobicContact CE1-CG 4.37Å; Y364-F377 HydrophobicContact CE2-CB 4.3Å; Y364-F377 HydrophobicContact CE2-CD2 4.4Å; Y364-F377 HydrophobicContact CG-CB 4.36Å; Y364-F377 AromaticContact CG-CD2 3.41Å; Y364-F377 HydrophobicContact CG-CD2 3.41Å; Y364-F377 VanDerWaalsContact CG-CD2 3.41Å; Y364-F377 HydrophobicContact CG-CE2 4.07Å; Y364-F377 HydrophobicContact CG-CG 4.2Å; Y364-K380 HydrophobicContact CD2-CD 4.41Å; Y364-K380 HydrophobicContact CE2-CD 4.05Å; Y364-V412 HydrophobicContact CD2-CG1 4.31Å
365	L	93.1	Very high	90.2	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-66.1	-24.5	177.3	-67	177.5	0	0	0	113	Y361 D363 K372 R481 D484 L487	Y361-L365 HydrophobicContact CD1-CD1 4.07Å; Y361-L365 HydrophobicContact CD2-CG 4.48Å; Y361-L365 HydrophobicContact CE1-CD1 3.79Å; Y361-L365 HydrophobicContact CE1-CG 4.49Å; Y361-L365 HydrophobicContact CE2-CD1 4.43Å; Y361-L365 HydrophobicContact CE2-CD2 4.34Å; Y361-L365 HydrophobicContact CE2-CG 4.27Å; Y361-L365 WeakPolarHBondContact O-CG 3.44Å; Y361-L365 PolarHBondContact O-N 2.97Å; D363-L365 VanDerWaalsContact C-N 3.31Å; D363-L365 PolarHBondContact O-N 3.11Å; L365-K372 HydrophobicContact CD2-CD 4.29Å; L365-K372 PolarHBondContact O-NZ 3.43Å; L365-R481 PolarHBondContact O-NH2 3.17Å; L365-D484 HydrophobicContact CB-CB 4.27Å; L365-D484 HydrophobicContact CD1-CB 4.48Å; L365-D484 HydrophobicContact CD2-CB 4.47Å; L365-L487 HydrophobicContact CD2-CD1 4.07Å; L365-L487 HydrophobicContact CD2-CD2 4.37Å
366	Y	90.3	Very high	90	Very high	112 Å²	112	42.2 Å²	42.2	44%	0.439	24%	0.24	S	C	.	.	H	α-helix	trans	-74.4	-46.4	-179.2	179.6	-104.8	0	0	0	112.1	K226 S362 D363 Y364 R481	K226-Y366 HydrophobicContact CD-CG 4.22Å; S362-Y366 WeakPolarHBondContact O-CB 3.43Å; S362-Y366 PolarHBondContact O-N 3.22Å; D363-Y366 WeakPolarHBondContact O-CB 3.27Å; D363-Y366 PolarHBondContact O-N 3.24Å; Y364-Y366 PolarHBondContact O-N 3Å; Y366-R481 PolarHBondContact O-NH2 3.15Å
367	F	85.6	Confident	89.9	Confident	89 Å²	89	42.2 Å²	42.2	39%	0.39	24%	0.24	S	C	.	.	S	Bend	trans	-69.5	145.9	-177.8	-67.6	-70.4	0	0	0	112.4	D363 I369 K372	D363-F367 VanDerWaalsContact O-CD2 3.26Å; D363-F367 WeakPolarHBondContact O-CD2 3.24Å; D363-F367 PolarHBondContact O-N 3.2Å; F367-I369 PolarHBondContact O-N 2.8Å; F367-K372 WeakPolarHBondContact O-CE 3.46Å; F367-K372 PolarHBondContact O-NZ 2.9Å
368	G	62	Low	89.7	Confident	75 Å²	75	43.2 Å²	43.2	77%	0.773	24%	0.244	S	C	*	.			trans	-81.5	48.8	-170.3	0	0	0	0	0	114.3
369	I	70.7	Confident	89.6	Confident	67 Å²	67	46 Å²	46	34%	0.344	26%	0.258	S	S	.	.			trans	-73.9	130.4	172.7	-50	176.8	0	0	0	108	Y364 F367	Y364-I369 HydrophobicContact CE2-CD1 4.49Å; F367-I369 PolarHBondContact O-N 2.8Å
370	A	71.6	Confident	89.5	Confident	81 Å²	81	47.4 Å²	47.4	67%	0.669	26%	0.264	S	S	*	.	S	Bend	trans	-67.1	148.1	172.9	0	0	0	0	0	110.1
371	N	82.2	Confident	89.4	Confident	154 Å²	154	47.3 Å²	47.3	82%	0.824	26%	0.263	S	S	*	.	S	Bend	trans	59.9	52.4	175.8	-54.8	-19.1	0	0	0	115
372	K	89.7	Confident	89.4	Confident	40 Å²	40	47.8 Å²	47.8	17%	0.174	27%	0.267	C	S	.	.			trans	-66.2	138.4	173.4	-63.6	173.1	-176	161.7	0	111.1	Y364 L365 F367 D484 L487	Y364-K372 HydrophobicContact CE1-CB 4.11Å; Y364-K372 HydrophobicContact CE1-CG 4.25Å; Y364-K372 VanDerWaalsContact OH-CA 3.23Å; Y364-K372 WeakPolarHBondContact OH-CA 3.37Å; Y364-K372 WeakPolarHBondContact OH-CB 3.22Å; L365-K372 HydrophobicContact CD2-CD 4.29Å; L365-K372 PolarHBondContact O-NZ 3.43Å; F367-K372 WeakPolarHBondContact O-CE 3.46Å; F367-K372 PolarHBondContact O-NZ 2.9Å; K372-D484 IonicContact NZ-OD1 3.16Å; K372-D484 PolarHBondContact NZ-OD1 3.17Å; K372-L487 HydrophobicContact CB-CD1 3.46Å; K372-L487 VanDerWaalsContact CB-CD1 3.46Å; K372-L487 VanDerWaalsContact O-CD1 3.29Å; K372-L487 WeakPolarHBondContact O-CD1 3.43Å
373	S	93.1	Very high	89.4	Confident	34 Å²	34	50.8 Å²	50.8	24%	0.238	28%	0.28	C	S	.	.			trans	-150.5	168.5	169.1	87.1	0	0	0	0	110.7	Y364 E375 D376 F377	Y364-S373 PolarHBondContact OH-N 3.42Å; Y364-S373 VanDerWaalsContact OH-N 3.14Å; Y364-S373 PolarHBondContact OH-O 2.97Å; S373-E375 WeakPolarHBondContact CB-OE2 3.41Å; S373-E375 PolarHBondContact O-N 3.31Å; S373-E375 PolarHBondContact OG-N 3.45Å; S373-E375 PolarHBondContact OG-OE2 3.5Å; S373-D376 PolarHBondContact O-N 3.03Å; S373-D376 PolarHBondContact OG-N 3.03Å; S373-F377 PolarHBondContact O-N 2.95Å; S373-F377 VanDerWaalsContact O-N 3.09Å
374	A	93.6	Very high	89.5	Confident	12 Å²	12	50.6 Å²	50.6	10%	0.099	28%	0.279	C	S	.	.	H	α-helix	trans	-66.4	-31.3	176.2	0	0	0	0	0	111.4	H378 L491	A374-H378 PolarHBondContact O-N 3.46Å; A374-L491 HydrophobicContact CB-CD2 3.79Å; A374-L491 HydrophobicContact CB-CG 3.86Å
375	E	93.3	Very high	89.6	Confident	109 Å²	109	50.3 Å²	50.3	51%	0.509	28%	0.277	S	S	.	.	H	α-helix	trans	-70.7	-47.3	175.7	-56.8	69.4	-150.4	0	0	111.2	S373 F377 H378 E379	S373-E375 WeakPolarHBondContact CB-OE2 3.41Å; S373-E375 PolarHBondContact O-N 3.31Å; S373-E375 PolarHBondContact OG-N 3.45Å; S373-E375 PolarHBondContact OG-OE2 3.5Å; E375-F377 VanDerWaalsContact C-N 3.25Å; E375-F377 PolarHBondContact O-N 3.1Å; E375-H378 WeakPolarHBondContact O-CA 3.19Å; E375-H378 VanDerWaalsContact O-CB 3.32Å; E375-H378 WeakPolarHBondContact O-CB 3.47Å; E375-H378 PolarHBondContact O-N 3.42Å; E375-E379 PolarHBondContact O-N 3.22Å
376	D	93.7	Very high	89.8	Confident	45 Å²	45	52.5 Å²	52.5	24%	0.241	29%	0.288	C	S	.	.	H	α-helix	trans	-60.3	-37.6	175.1	171.3	76.1	0	0	0	111.5	Y364 S373 K380	Y364-D376 WeakPolarHBondContact CE2-OD2 3.32Å; Y364-D376 VanDerWaalsContact CZ-OD2 3.23Å; Y364-D376 PolarHBondContact OH-OD2 3.11Å; S373-D376 PolarHBondContact O-N 3.03Å; S373-D376 PolarHBondContact OG-N 3.03Å; D376-K380 VanDerWaalsContact O-CG 3.32Å; D376-K380 WeakPolarHBondContact O-CG 3.38Å; D376-K380 PolarHBondContact O-N 2.81Å; D376-K380 WeakPolarHBondContact OD1-CE 3.42Å; D376-K380 IonicContact OD1-NZ 3.8Å; D376-K380 PolarHBondContact OD1-NZ 2.78Å; D376-K380 IonicContact OD2-NZ 2.87Å; D376-K380 PolarHBondContact OD2-NZ 3.34Å
377	F	95.4	Very high	90.1	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-63.9	-40.9	172.6	-178.7	-117.2	0	0	0	112.4	L360 Y361 Y364 S373 E375 K380 V381 V412 M490 T494 L498	L360-F377 HydrophobicContact CD2-CE2 4.4Å; L360-F377 HydrophobicContact CD2-CZ 4.07Å; L360-F377 HydrophobicContact CG-CE2 4.17Å; L360-F377 HydrophobicContact CG-CZ 4.08Å; Y361-F377 AromaticContact CD2-CD1 3.52Å; Y361-F377 HydrophobicContact CD2-CD1 3.52Å; Y361-F377 HydrophobicContact CD2-CD2 4.09Å; Y361-F377 AromaticContact CD2-CE1 3.59Å; Y361-F377 HydrophobicContact CD2-CE1 3.59Å; Y361-F377 HydrophobicContact CD2-CE2 4.15Å; Y361-F377 AromaticContact CD2-CG 3.77Å; Y361-F377 HydrophobicContact CD2-CG 3.77Å; Y361-F377 AromaticContact CD2-CZ 3.91Å; Y361-F377 HydrophobicContact CD2-CZ 3.91Å; Y361-F377 HydrophobicContact CE2-CB 4.34Å; Y361-F377 AromaticContact CE2-CD1 3.92Å; Y361-F377 HydrophobicContact CE2-CD1 3.92Å; Y361-F377 HydrophobicContact CE2-CE1 4.41Å; Y361-F377 HydrophobicContact CE2-CG 4.06Å; Y361-F377 HydrophobicContact CG-CE1 4.2Å; Y361-F377 HydrophobicContact CG-CZ 4.4Å; Y364-F377 HydrophobicContact CD1-CB 4Å; Y364-F377 AromaticContact CD1-CD2 3.71Å; Y364-F377 HydrophobicContact CD1-CD2 3.71Å; Y364-F377 HydrophobicContact CD1-CG 4.06Å; Y364-F377 AromaticContact CD2-CD2 3.8Å; Y364-F377 HydrophobicContact CD2-CD2 3.8Å; Y364-F377 HydrophobicContact CE1-CB 3.79Å; Y364-F377 HydrophobicContact CE1-CD2 4.35Å; Y364-F377 HydrophobicContact CE1-CG 4.37Å; Y364-F377 HydrophobicContact CE2-CB 4.3Å; Y364-F377 HydrophobicContact CE2-CD2 4.4Å; Y364-F377 HydrophobicContact CG-CB 4.36Å; Y364-F377 AromaticContact CG-CD2 3.41Å; Y364-F377 HydrophobicContact CG-CD2 3.41Å; Y364-F377 VanDerWaalsContact CG-CD2 3.41Å; Y364-F377 HydrophobicContact CG-CE2 4.07Å; Y364-F377 HydrophobicContact CG-CG 4.2Å; S373-F377 PolarHBondContact O-N 2.95Å; S373-F377 VanDerWaalsContact O-N 3.09Å; E375-F377 VanDerWaalsContact C-N 3.25Å; E375-F377 PolarHBondContact O-N 3.1Å; F377-K380 PolarHBondContact O-N 3.49Å; F377-V381 HydrophobicContact CD1-CG2 4.37Å; F377-V381 HydrophobicContact CD2-CG2 4.19Å; F377-V381 HydrophobicContact CE1-CG2 3.97Å; F377-V381 HydrophobicContact CE2-CG2 3.77Å; F377-V381 HydrophobicContact CG-CG2 4.48Å; F377-V381 HydrophobicContact CZ-CG2 3.65Å; F377-V381 VanDerWaalsContact O-CG2 3.28Å; F377-V381 WeakPolarHBondContact O-CG2 3.42Å; F377-V381 PolarHBondContact O-N 3.5Å; F377-V412 HydrophobicContact CD2-CG1 4.27Å; F377-V412 HydrophobicContact CE2-CG1 4.15Å; F377-M490 HydrophobicContact CD1-CB 3.87Å; F377-M490 HydrophobicContact CE1-CB 4.02Å; F377-M490 HydrophobicContact CE1-SD 3.87Å; F377-T494 HydrophobicContact CD1-CG2 3.85Å; F377-T494 HydrophobicContact CE1-CG2 3.71Å; F377-L498 HydrophobicContact CE1-CD1 4.05Å; F377-L498 HydrophobicContact CZ-CD1 4.03Å
378	H	95.1	Very high	90.7	Very high	22 Å²	22	44.1 Å²	44.1	10%	0.102	25%	0.254	C	S	.	.	H	α-helix	trans	-59.6	-50.9	177.1	-177.8	76	0	0	0	111.7	A374 E375 K380 V381 S382 L491 T494	A374-H378 PolarHBondContact O-N 3.46Å; E375-H378 WeakPolarHBondContact O-CA 3.19Å; E375-H378 VanDerWaalsContact O-CB 3.32Å; E375-H378 WeakPolarHBondContact O-CB 3.47Å; E375-H378 PolarHBondContact O-N 3.42Å; H378-K380 VanDerWaalsContact C-N 3.32Å; H378-K380 PolarHBondContact O-N 3.06Å; H378-V381 WeakPolarHBondContact O-CB 3.29Å; H378-V381 PolarHBondContact O-N 3.45Å; H378-V381 VanDerWaalsContact O-N 3.17Å; H378-S382 PolarHBondContact O-N 3.22Å; H378-S382 PolarHBondContact O-OG 3.41Å; H378-L491 HydrophobicContact CB-CD1 4.01Å; H378-T494 WeakPolarHBondContact CB-OG1 3.37Å; H378-T494 PolarHBondContact ND1-OG1 2.99Å
379	E	93.8	Very high	92.3	Very high	103 Å²	103	42.3 Å²	42.3	48%	0.481	23%	0.226	S	C	.	.	H	α-helix	trans	-58.6	-44.3	179.9	-66.2	-53.5	133	0	0	111.9	E375 V381 S382 E383	E375-E379 PolarHBondContact O-N 3.22Å; E379-V381 VanDerWaalsContact C-N 3.34Å; E379-V381 PolarHBondContact O-N 3.24Å; E379-S382 WeakPolarHBondContact O-CB 3.25Å; E379-S382 PolarHBondContact O-N 3.03Å; E379-E383 PolarHBondContact O-N 3.44Å
380	K	95.4	Very high	93.5	Very high	28 Å²	28	40 Å²	40	12%	0.122	22%	0.219	C	C	.	.	H	α-helix	trans	-66	-35.9	178.5	-70.7	176.2	171.3	146.1	0	113.2	Y364 D376 F377 H378 S384 P411 V412	Y364-K380 HydrophobicContact CD2-CD 4.41Å; Y364-K380 HydrophobicContact CE2-CD 4.05Å; D376-K380 VanDerWaalsContact O-CG 3.32Å; D376-K380 WeakPolarHBondContact O-CG 3.38Å; D376-K380 PolarHBondContact O-N 2.81Å; D376-K380 WeakPolarHBondContact OD1-CE 3.42Å; D376-K380 IonicContact OD1-NZ 3.8Å; D376-K380 PolarHBondContact OD1-NZ 2.78Å; D376-K380 IonicContact OD2-NZ 2.87Å; D376-K380 PolarHBondContact OD2-NZ 3.34Å; F377-K380 PolarHBondContact O-N 3.49Å; H378-K380 VanDerWaalsContact C-N 3.32Å; H378-K380 PolarHBondContact O-N 3.06Å; K380-S384 WeakPolarHBondContact O-CB 3.42Å; K380-S384 PolarHBondContact O-N 3.43Å; K380-S384 PolarHBondContact O-OG 2.93Å; K380-P411 HydrophobicContact CB-CB 3.97Å; K380-P411 HydrophobicContact CB-CG 3.8Å; K380-P411 HydrophobicContact CD-CB 4.14Å; K380-P411 HydrophobicContact CG-CB 3.78Å; K380-P411 HydrophobicContact CG-CG 4.01Å; K380-P411 WeakPolarHBondContact O-CG 3.39Å; K380-V412 HydrophobicContact CB-CG1 3.86Å
381	V	96.6	Very high	94.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-63	-47.2	173.5	165	0	0	0	0	109.9	L360 F377 H378 E379 S384 L385 V412 T494 L498	L360-V381 HydrophobicContact CD2-CG2 4.19Å; F377-V381 HydrophobicContact CD1-CG2 4.37Å; F377-V381 HydrophobicContact CD2-CG2 4.19Å; F377-V381 HydrophobicContact CE1-CG2 3.97Å; F377-V381 HydrophobicContact CE2-CG2 3.77Å; F377-V381 HydrophobicContact CG-CG2 4.48Å; F377-V381 HydrophobicContact CZ-CG2 3.65Å; F377-V381 VanDerWaalsContact O-CG2 3.28Å; F377-V381 WeakPolarHBondContact O-CG2 3.42Å; F377-V381 PolarHBondContact O-N 3.5Å; H378-V381 WeakPolarHBondContact O-CB 3.29Å; H378-V381 PolarHBondContact O-N 3.45Å; H378-V381 VanDerWaalsContact O-N 3.17Å; E379-V381 VanDerWaalsContact C-N 3.34Å; E379-V381 PolarHBondContact O-N 3.24Å; V381-S384 PolarHBondContact O-N 2.67Å; V381-L385 HydrophobicContact CG1-CD1 3.87Å; V381-L385 HydrophobicContact CG1-CG 4.42Å; V381-L385 WeakPolarHBondContact O-CG 3.43Å; V381-L385 PolarHBondContact O-N 3.45Å; V381-V412 HydrophobicContact CG2-CG2 4.06Å; V381-T494 HydrophobicContact CB-CG2 4.28Å; V381-T494 HydrophobicContact CG1-CG2 4.31Å; V381-T494 HydrophobicContact CG2-CG2 4.07Å; V381-L498 HydrophobicContact CG1-CD1 4.45Å; V381-L498 HydrophobicContact CG1-CD2 3.66Å; V381-L498 HydrophobicContact CG1-CG 4Å; V381-L498 HydrophobicContact CG2-CD1 4.17Å; V381-L498 HydrophobicContact CG2-CD2 4.34Å
382	S	96.1	Very high	95.2	Very high	10 Å²	10	30 Å²	30	7%	0.07	15%	0.154	C	C	.	.	H	α-helix	trans	-58.9	-48.4	179	-56.9	0	0	0	0	112	I114 H378 E379 S384 L385 Q386	I114-S382 WeakPolarHBondContact CD1-OG 3.46Å; H378-S382 PolarHBondContact O-N 3.22Å; H378-S382 PolarHBondContact O-OG 3.41Å; E379-S382 WeakPolarHBondContact O-CB 3.25Å; E379-S382 PolarHBondContact O-N 3.03Å; S382-S384 PolarHBondContact O-N 3.24Å; S382-L385 PolarHBondContact O-N 2.04Å; S382-Q386 WeakPolarHBondContact O-CG 3.26Å; S382-Q386 PolarHBondContact O-N 2.96Å; S382-Q386 VanDerWaalsContact O-N 3.13Å
383	E	95.8	Very high	95.4	Very high	73 Å²	73	34 Å²	34	34%	0.341	18%	0.175	S	C	.	.	H	α-helix	trans	-60.3	-45.2	176.1	-177.7	-179.7	176.9	0	0	111.7	L105 E379 L385 Q386 L387 P411	L105-E383 HydrophobicContact CD2-CG 4.32Å; E379-E383 PolarHBondContact O-N 3.44Å; E383-L385 VanDerWaalsContact C-N 3.32Å; E383-L385 PolarHBondContact O-N 3.32Å; E383-Q386 PolarHBondContact O-N 2.97Å; E383-L387 HydrophobicContact CG-CD1 4.22Å; E383-L387 WeakPolarHBondContact O-CG 3.16Å; E383-L387 PolarHBondContact O-N 2.93Å; E383-P411 HydrophobicContact CB-CG 4.1Å; E383-P411 HydrophobicContact CG-CG 4.14Å
384	S	97.2	Very high	95.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-65	-36	-179.9	-56.7	0	0	0	0	112.3	K380 V381 S382 F388 P411 V412 L414	K380-S384 WeakPolarHBondContact O-CB 3.42Å; K380-S384 PolarHBondContact O-N 3.43Å; K380-S384 PolarHBondContact O-OG 2.93Å; V381-S384 PolarHBondContact O-N 2.67Å; S382-S384 PolarHBondContact O-N 3.24Å; S384-F388 WeakPolarHBondContact O-CB 3.19Å; S384-F388 PolarHBondContact O-N 3.24Å; S384-P411 WeakPolarHBondContact OG-CD 3.45Å; S384-P411 WeakPolarHBondContact OG-CG 3.3Å; S384-V412 WeakPolarHBondContact OG-CG2 3.29Å; S384-V412 PolarHBondContact OG-N 2.9Å; S384-V412 VanDerWaalsContact OG-N 3.17Å; S384-V412 PolarHBondContact OG-O 3.4Å; S384-L414 VanDerWaalsContact CB-CD1 3.4Å
385	L	97.8	Very high	95.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-66	-42.6	176.2	-75.1	168.2	0	0	0	111.6	I114 V117 V118 I121 V381 S382 E383 F388 E389 L414 I497 F501	I114-L385 HydrophobicContact CG2-CD1 3.99Å; V117-L385 HydrophobicContact CG1-CB 4.08Å; V118-L385 HydrophobicContact CG2-CD1 3.98Å; V118-L385 HydrophobicContact CG2-CD2 4.32Å; I121-L385 HydrophobicContact CD1-CD2 4.02Å; V381-L385 HydrophobicContact CG1-CD1 3.87Å; V381-L385 HydrophobicContact CG1-CG 4.42Å; V381-L385 WeakPolarHBondContact O-CG 3.43Å; V381-L385 PolarHBondContact O-N 3.45Å; S382-L385 PolarHBondContact O-N 2.04Å; E383-L385 VanDerWaalsContact C-N 3.32Å; E383-L385 PolarHBondContact O-N 3.32Å; L385-F388 PolarHBondContact O-N 3.25Å; L385-E389 WeakPolarHBondContact O-CB 3.18Å; L385-E389 PolarHBondContact O-N 3.19Å; L385-L414 HydrophobicContact CD2-CD1 3.91Å; L385-L414 HydrophobicContact CG-CD1 4.02Å; L385-I497 HydrophobicContact CD1-CG2 3.56Å; L385-F501 HydrophobicContact CD2-CB 4.3Å; L385-F501 HydrophobicContact CD2-CD1 4.32Å; L385-F501 HydrophobicContact CD2-CD2 3.48Å; L385-F501 VanDerWaalsContact CD2-CD2 3.48Å; L385-F501 HydrophobicContact CD2-CE2 3.79Å; L385-F501 HydrophobicContact CD2-CG 3.77Å; L385-F501 HydrophobicContact CD2-CZ 4.34Å
386	Q	96.7	Very high	94.9	Very high	48 Å²	48	39.4 Å²	39.4	22%	0.224	19%	0.193	C	C	.	.	H	α-helix	trans	-64	-43.7	176.4	-72.2	174.2	-24.7	0	0	111.7	H113 V117 S382 E383 F388 E389 G390	H113-Q386 PolarHBondContact NE2-NE2 3.42Å; V117-Q386 HydrophobicContact CG2-CG 4.23Å; S382-Q386 WeakPolarHBondContact O-CG 3.26Å; S382-Q386 PolarHBondContact O-N 2.96Å; S382-Q386 VanDerWaalsContact O-N 3.13Å; E383-Q386 PolarHBondContact O-N 2.97Å; Q386-F388 VanDerWaalsContact C-N 3.33Å; Q386-F388 PolarHBondContact O-N 2.87Å; Q386-E389 PolarHBondContact O-N 3.41Å; Q386-G390 PolarHBondContact O-N 3.19Å
387	L	96.8	Very high	94.9	Very high	24 Å²	24	38 Å²	38	13%	0.126	19%	0.185	C	C	.	.	H	α-helix	trans	-60.7	-42.5	175	-72.2	170.2	0	0	0	111.8	F103 E383 G390 C391 A409 M410	F103-L387 HydrophobicContact CE1-CD2 4.48Å; E383-L387 HydrophobicContact CG-CD1 4.22Å; E383-L387 WeakPolarHBondContact O-CG 3.16Å; E383-L387 PolarHBondContact O-N 2.93Å; L387-G390 PolarHBondContact O-N 3.12Å; L387-C391 PolarHBondContact O-N 3.01Å; L387-C391 VanDerWaalsContact O-N 3.16Å; L387-A409 HydrophobicContact CD1-CB 4.2Å; L387-M410 HydrophobicContact CB-CG 4.07Å; L387-M410 HydrophobicContact CD1-CG 4.09Å
388	F	97.1	Very high	94.6	Very high	1 Å²	1	39.8 Å²	39.8	0%	0.004	19%	0.192	C	C	.	.	H	α-helix	trans	-67.8	-42.2	178.2	-169.1	-113.4	0	0	0	112.1	I121 S384 L385 Q386 C391 L392 C400 V401 M410 L418 F501	I121-F388 HydrophobicContact CD1-CD1 4.26Å; I121-F388 HydrophobicContact CG2-CD1 4.29Å; I121-F388 HydrophobicContact CG2-CE1 4.23Å; S384-F388 WeakPolarHBondContact O-CB 3.19Å; S384-F388 PolarHBondContact O-N 3.24Å; L385-F388 PolarHBondContact O-N 3.25Å; Q386-F388 VanDerWaalsContact C-N 3.33Å; Q386-F388 PolarHBondContact O-N 2.87Å; F388-C391 WeakPolarHBondContact O-CB 3.34Å; F388-C391 PolarHBondContact O-N 3.11Å; F388-L392 HydrophobicContact CD1-CD1 3.93Å; F388-L392 HydrophobicContact CE1-CD1 3.72Å; F388-L392 HydrophobicContact CE1-CG 4.31Å; F388-L392 HydrophobicContact CZ-CD1 4.37Å; F388-L392 WeakPolarHBondContact O-CG 3.48Å; F388-L392 PolarHBondContact O-N 2.91Å; F388-L392 VanDerWaalsContact O-N 3.11Å; F388-C400 HydrophobicContact CD2-CB 4.36Å; F388-C400 HydrophobicContact CE2-CB 3.81Å; F388-C400 HydrophobicContact CZ-CB 4.49Å; F388-V401 HydrophobicContact CE2-CG2 4.25Å; F388-V401 HydrophobicContact CZ-CG2 4.22Å; F388-M410 HydrophobicContact CB-SD 4.28Å; F388-L418 HydrophobicContact CE1-CD1 4.47Å; F388-L418 HydrophobicContact CE2-CD1 4.49Å; F388-L418 HydrophobicContact CZ-CD1 3.92Å; F388-F501 AromaticContact CD1-CE2 3.97Å; F388-F501 HydrophobicContact CD1-CE2 3.97Å; F388-F501 HydrophobicContact CD1-CZ 4.25Å; F388-F501 HydrophobicContact CE1-CE2 4.1Å; F388-F501 HydrophobicContact CE1-CZ 4.26Å
389	E	97	Very high	94.4	Very high	38 Å²	38	38.8 Å²	38.8	18%	0.178	19%	0.188	C	C	.	.	H	α-helix	trans	-59.1	-46.1	173.4	-175.4	-170.6	-151.2	0	0	111.7	V117 S120 I121 L385 Q386 C391 L392 M393	V117-E389 HydrophobicContact CG1-CB 3.93Å; V117-E389 HydrophobicContact CG1-CG 4.41Å; V117-E389 WeakPolarHBondContact CG2-OE2 3.35Å; S120-E389 WeakPolarHBondContact CB-OE1 3.48Å; S120-E389 PolarHBondContact OG-OE1 3.13Å; I121-E389 HydrophobicContact CD1-CB 4.13Å; I121-E389 HydrophobicContact CG1-CB 3.83Å; I121-E389 HydrophobicContact CG1-CG 4.17Å; L385-E389 WeakPolarHBondContact O-CB 3.18Å; L385-E389 PolarHBondContact O-N 3.19Å; Q386-E389 PolarHBondContact O-N 3.41Å; E389-C391 VanDerWaalsContact C-N 3.26Å; E389-C391 PolarHBondContact O-N 3.38Å; E389-L392 WeakPolarHBondContact O-CA 3.5Å; E389-L392 WeakPolarHBondContact O-CB 3.47Å; E389-L392 PolarHBondContact O-N 3.41Å; E389-M393 PolarHBondContact O-N 3.18Å; E389-M393 VanDerWaalsContact O-N 3.17Å
390	G	96	Very high	94.4	Very high	19 Å²	19	33.9 Å²	33.9	20%	0.196	17%	0.165	C	C	.	.	H	α-helix	trans	-57.9	-39	178	0	0	0	0	0	112.3	Q386 L387 M393	Q386-G390 PolarHBondContact O-N 3.19Å; L387-G390 PolarHBondContact O-N 3.12Å; G390-M393 WeakPolarHBondContact O-CB 3.45Å; G390-M393 PolarHBondContact O-N 2.98Å
391	C	95.2	Very high	94.3	Very high	10 Å²	10	32.6 Å²	32.6	7%	0.068	16%	0.159	C	C	.	.	H	α-helix	trans	-63.3	-44.5	172.6	-177.6	0	0	0	0	112.3	L387 F388 E389 M393 E394 Y395 C400 V406	L387-C391 PolarHBondContact O-N 3.01Å; L387-C391 VanDerWaalsContact O-N 3.16Å; F388-C391 WeakPolarHBondContact O-CB 3.34Å; F388-C391 PolarHBondContact O-N 3.11Å; E389-C391 VanDerWaalsContact C-N 3.26Å; E389-C391 PolarHBondContact O-N 3.38Å; C391-M393 PolarHBondContact O-N 3.3Å; C391-M393 VanDerWaalsContact O-N 3.13Å; C391-E394 PolarHBondContact O-N 3.19Å; C391-E394 VanDerWaalsContact O-N 3.1Å; C391-Y395 PolarHBondContact O-N 2.73Å; C391-C400 HydrophobicContact CB-CB 3.93Å; C391-C400 WeakPolarHBondContact CB-SG 3.12Å; C391-C400 PolarHBondContact O-SG 3.16Å; C391-C400 VanDerWaalsContact O-SG 3.42Å; C391-C400 WeakPolarHBondContact SG-CA 3.49Å; C391-C400 WeakPolarHBondContact SG-CB 3.49Å; C391-C400 CovalentContact SG-SG 2.04Å; C391-C400 PolarHBondContact SG-SG 2.94Å; C391-V406 HydrophobicContact CB-CG1 4.38Å; C391-V406 HydrophobicContact CB-CG2 3.98Å
392	L	94.6	Very high	94.1	Very high	13 Å²	13	32.7 Å²	32.7	7%	0.068	16%	0.16	C	C	.	.	H	α-helix	trans	-66.5	-10.7	-179.7	-69.1	175.6	0	0	0	114	I121 K124 F388 E389 E394 M397 C400	I121-L392 HydrophobicContact CB-CD1 4.2Å; I121-L392 HydrophobicContact CG1-CD1 4.1Å; I121-L392 HydrophobicContact CG2-CD1 3.76Å; K124-L392 HydrophobicContact CD-CB 4.19Å; F388-L392 HydrophobicContact CD1-CD1 3.93Å; F388-L392 HydrophobicContact CE1-CD1 3.72Å; F388-L392 HydrophobicContact CE1-CG 4.31Å; F388-L392 HydrophobicContact CZ-CD1 4.37Å; F388-L392 WeakPolarHBondContact O-CG 3.48Å; F388-L392 PolarHBondContact O-N 2.91Å; F388-L392 VanDerWaalsContact O-N 3.11Å; E389-L392 WeakPolarHBondContact O-CA 3.5Å; E389-L392 WeakPolarHBondContact O-CB 3.47Å; E389-L392 PolarHBondContact O-N 3.41Å; L392-E394 VanDerWaalsContact C-N 3.33Å; L392-M397 VanDerWaalsContact CD2-CA 3.44Å; L392-M397 HydrophobicContact CD2-CB 3.88Å; L392-M397 HydrophobicContact CD2-CG 4.46Å; L392-C400 HydrophobicContact CD2-CB 4.3Å
393	M	92.2	Very high	93.8	Very high	125 Å²	125	33.7 Å²	33.7	62%	0.616	16%	0.164	S	C	*	.	H	α-helix	trans	-72.6	-29.3	172.6	-68.1	-178.4	61.9	0	0	112.5	E389 G390 C391	E389-M393 PolarHBondContact O-N 3.18Å; E389-M393 VanDerWaalsContact O-N 3.17Å; G390-M393 WeakPolarHBondContact O-CB 3.45Å; G390-M393 PolarHBondContact O-N 2.98Å; C391-M393 PolarHBondContact O-N 3.3Å; C391-M393 VanDerWaalsContact O-N 3.13Å
394	E	90.1	Very high	93.4	Very high	132 Å²	132	30.3 Å²	30.3	62%	0.617	15%	0.148	S	C	*	.	H	α-helix	trans	-113.9	-26.3	-173	-60.9	-62	157.7	0	0	112.7	F101 C391 L392	F101-E394 HydrophobicContact CE1-CG 4.3Å; C391-E394 PolarHBondContact O-N 3.19Å; C391-E394 VanDerWaalsContact O-N 3.1Å; L392-E394 VanDerWaalsContact C-N 3.33Å
395	Y	90.4	Very high	92.9	Very high	106 Å²	106	35.6 Å²	35.6	42%	0.416	18%	0.181	S	C	.	.	S	Bend	trans	-128.5	162.1	-170.6	-60.9	-80.4	0	0	0	112.7	F101 C391	F101-Y395 HydrophobicContact CZ-CE2 4.37Å; C391-Y395 PolarHBondContact O-N 2.73Å
396	T	90.6	Very high	92.6	Very high	31 Å²	31	36.7 Å²	36.7	19%	0.19	19%	0.187	C	C	.	.			trans	-66.2	155.8	173.7	72.1	0	0	0	0	110.7	E331 R398 S399 C400	E331-T396 PolarHBondContact OE1-OG1 3.39Å; E331-T396 VanDerWaalsContact OE1-OG1 3.12Å; T396-R398 PolarHBondContact O-N 3.34Å; T396-S399 PolarHBondContact O-N 2.77Å; T396-S399 VanDerWaalsContact O-N 3.16Å; T396-S399 WeakPolarHBondContact OG1-CB 3.42Å; T396-S399 PolarHBondContact OG1-N 2.94Å; T396-C400 PolarHBondContact O-N 3.4Å; T396-C400 PolarHBondContact O-SG 3.31Å
397	M	91.8	Very high	92.4	Very high	14 Å²	14	35 Å²	35	7%	0.069	18%	0.18	C	C	.	.	H	α-helix	trans	-53.7	-43.9	174.4	177.7	-78	-64.8	0	0	112.2	E126 F127 L392 C400 V401 V421 F505	E126-M397 WeakPolarHBondContact O-CE 2.99Å; F127-M397 HydrophobicContact CD1-CE 3.95Å; F127-M397 HydrophobicContact CE1-CE 4.05Å; L392-M397 VanDerWaalsContact CD2-CA 3.44Å; L392-M397 HydrophobicContact CD2-CB 3.88Å; L392-M397 HydrophobicContact CD2-CG 4.46Å; M397-C400 PolarHBondContact O-N 2.75Å; M397-V401 VanDerWaalsContact O-CG2 3.31Å; M397-V401 WeakPolarHBondContact O-CG2 3.46Å; M397-V401 PolarHBondContact O-N 3.4Å; M397-V401 HydrophobicContact SD-CG2 3.82Å; M397-V421 HydrophobicContact CE-CG1 4.3Å; M397-V421 HydrophobicContact CE-CG2 3.74Å; M397-V421 HydrophobicContact SD-CB 4.4Å; M397-V421 HydrophobicContact SD-CG1 4.01Å; M397-V421 HydrophobicContact SD-CG2 3.45Å; M397-V421 WeakPolarHBondContact SD-CG2 3.04Å; M397-F505 HydrophobicContact CG-CE1 4.22Å; M397-F505 HydrophobicContact SD-CE1 4.19Å
398	R	91.1	Very high	92	Very high	39 Å²	39	38 Å²	38	15%	0.147	20%	0.196	C	C	.	.	H	α-helix	trans	-63.3	-45.5	178.4	178.5	179.1	174.5	78.7	13.4	112.2	E331 T396 C400 V401 Y402 D425	E331-R398 VanDerWaalsContact CD-CD 3.44Å; E331-R398 HydrophobicContact CG-CG 4.48Å; E331-R398 WeakPolarHBondContact OE1-CB 3.26Å; E331-R398 VanDerWaalsContact OE1-CD 3.31Å; E331-R398 WeakPolarHBondContact OE1-CD 3.43Å; E331-R398 WeakPolarHBondContact OE1-CG 3.31Å; E331-R398 IonicContact OE1-NE 3.11Å; E331-R398 WeakPolarHBondContact OE2-CD 3.33Å; E331-R398 IonicContact OE2-NE 3.46Å; E331-R398 PolarHBondContact OE2-NE 2.97Å; T396-R398 PolarHBondContact O-N 3.34Å; R398-C400 VanDerWaalsContact C-N 3.34Å; R398-C400 PolarHBondContact O-N 2.8Å; R398-V401 PolarHBondContact O-N 3.16Å; R398-Y402 HydrophobicContact CG-CD2 4.07Å; R398-Y402 HydrophobicContact CG-CE2 4.19Å; R398-Y402 WeakPolarHBondContact O-CD2 3.38Å; R398-Y402 PolarHBondContact O-N 3.44Å; R398-Y402 VanDerWaalsContact O-N 3.16Å; R398-D425 IonicContact CZ-OD1 2.91Å; R398-D425 IonicContact CZ-OD2 3.94Å; R398-D425 IonicContact NH1-OD1 3.26Å; R398-D425 PolarHBondContact NH1-OD1 3.44Å; R398-D425 IonicContact NH1-OD2 3.9Å; R398-D425 PolarHBondContact NH1-OD2 2.97Å; R398-D425 IonicContact NH2-OD1 3.02Å; R398-D425 PolarHBondContact NH2-OD1 3.25Å; R398-D425 IonicContact NH2-OD2 3.99Å; R398-D425 PolarHBondContact NH2-OD2 2.98Å
399	S	90.8	Very high	91.7	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.007	22%	0.216	C	C	.	.	H	α-helix	trans	-58.1	-46.2	174.5	177.1	0	0	0	0	111.1	G330 T396 V401 Y402 N403	G330-S399 WeakPolarHBondContact O-CB 3.31Å; G330-S399 PolarHBondContact O-OG 3.23Å; T396-S399 PolarHBondContact O-N 2.77Å; T396-S399 VanDerWaalsContact O-N 3.16Å; T396-S399 WeakPolarHBondContact OG1-CB 3.42Å; T396-S399 PolarHBondContact OG1-N 2.94Å; S399-V401 PolarHBondContact O-N 2.88Å; S399-Y402 CarbonylContact O-C 3.51Å; S399-Y402 PolarHBondContact O-N 2.89Å; S399-N403 WeakPolarHBondContact O-CB 3.36Å; S399-N403 PolarHBondContact O-N 3.45Å
400	C	92.9	Very high	91.6	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.8	-39.9	177.4	-68.3	0	0	0	0	113.6	F388 C391 L392 T396 M397 R398 Y402 N403	F388-C400 HydrophobicContact CD2-CB 4.36Å; F388-C400 HydrophobicContact CE2-CB 3.81Å; F388-C400 HydrophobicContact CZ-CB 4.49Å; C391-C400 HydrophobicContact CB-CB 3.93Å; C391-C400 WeakPolarHBondContact CB-SG 3.12Å; C391-C400 PolarHBondContact O-SG 3.16Å; C391-C400 VanDerWaalsContact O-SG 3.42Å; C391-C400 WeakPolarHBondContact SG-CA 3.49Å; C391-C400 WeakPolarHBondContact SG-CB 3.49Å; C391-C400 CovalentContact SG-SG 2.04Å; C391-C400 PolarHBondContact SG-SG 2.94Å; L392-C400 HydrophobicContact CD2-CB 4.3Å; T396-C400 PolarHBondContact O-N 3.4Å; T396-C400 PolarHBondContact O-SG 3.31Å; M397-C400 PolarHBondContact O-N 2.75Å; R398-C400 VanDerWaalsContact C-N 3.34Å; R398-C400 PolarHBondContact O-N 2.8Å; C400-Y402 VanDerWaalsContact C-N 3.29Å; C400-Y402 PolarHBondContact O-N 3.23Å; C400-N403 WeakPolarHBondContact O-CB 3.42Å; C400-N403 PolarHBondContact O-N 3.44Å
401	V	93.8	Very high	91.5	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.006	21%	0.214	C	C	.	.	H	α-helix	trans	-63.3	-35.7	176.8	169.6	0	0	0	0	112.2	F388 M397 R398 S399 N407 L418 V421 Y422	F388-V401 HydrophobicContact CE2-CG2 4.25Å; F388-V401 HydrophobicContact CZ-CG2 4.22Å; M397-V401 VanDerWaalsContact O-CG2 3.31Å; M397-V401 WeakPolarHBondContact O-CG2 3.46Å; M397-V401 PolarHBondContact O-N 3.4Å; M397-V401 HydrophobicContact SD-CG2 3.82Å; R398-V401 PolarHBondContact O-N 3.16Å; S399-V401 PolarHBondContact O-N 2.88Å; V401-N407 PolarHBondContact O-ND2 3.19Å; V401-L418 HydrophobicContact CG2-CD1 3.58Å; V401-V421 HydrophobicContact CB-CG1 4.23Å; V401-V421 HydrophobicContact CG1-CB 4.5Å; V401-V421 HydrophobicContact CG1-CG1 3.98Å; V401-V421 HydrophobicContact CG2-CG1 4.29Å; V401-V421 HydrophobicContact CG2-CG2 4.47Å; V401-Y422 HydrophobicContact CG1-CE1 3.64Å; V401-Y422 HydrophobicContact CG1-CE2 4.45Å; V401-Y422 VanDerWaalsContact CG1-OH 3.3Å; V401-Y422 WeakPolarHBondContact CG1-OH 3.49Å
402	Y	91.5	Very high	91.5	Very high	2 Å²	2	40 Å²	40	1%	0.008	21%	0.213	C	C	.	.	H	α-helix	trans	-92.6	2.1	178	-72.2	-63.3	0	0	0	114.2	N317 W320 P332 L335 R398 S399 C400 T404 Y422 D425	N317-Y402 HydrophobicContact CB-CD1 3.89Å; N317-Y402 HydrophobicContact CB-CE1 3.81Å; W320-Y402 PolarHBondContact NE1-O 2.86Å; P332-Y402 HydrophobicContact CG-CD1 4.24Å; P332-Y402 HydrophobicContact CG-CD2 3.98Å; P332-Y402 HydrophobicContact CG-CE2 4.49Å; P332-Y402 HydrophobicContact CG-CG 3.85Å; L335-Y402 HydrophobicContact CD2-CE1 4.02Å; R398-Y402 HydrophobicContact CG-CD2 4.07Å; R398-Y402 HydrophobicContact CG-CE2 4.19Å; R398-Y402 WeakPolarHBondContact O-CD2 3.38Å; R398-Y402 PolarHBondContact O-N 3.44Å; R398-Y402 VanDerWaalsContact O-N 3.16Å; S399-Y402 CarbonylContact O-C 3.51Å; S399-Y402 PolarHBondContact O-N 2.89Å; C400-Y402 VanDerWaalsContact C-N 3.29Å; C400-Y402 PolarHBondContact O-N 3.23Å; Y402-T404 PolarHBondContact O-N 3.05Å; Y402-Y422 HydrophobicContact CE1-CD1 4.14Å; Y402-Y422 AromaticContact CE1-CE1 3.9Å; Y402-Y422 HydrophobicContact CE1-CE1 3.9Å; Y402-Y422 AromaticContact CZ-CD1 3.97Å; Y402-Y422 WeakPolarHBondContact OH-CD1 3.21Å; Y402-D425 PolarHBondContact OH-OD2 3.43Å
403	N	90.1	Very high	91.5	Very high	31 Å²	31	41.9 Å²	41.9	17%	0.166	22%	0.219	C	C	.	.			trans	-79.8	106.4	-178	-170	-51.2	0	0	0	111	S399 C400 T405 V406 N407	S399-N403 WeakPolarHBondContact O-CB 3.36Å; S399-N403 PolarHBondContact O-N 3.45Å; C400-N403 WeakPolarHBondContact O-CB 3.42Å; C400-N403 PolarHBondContact O-N 3.44Å; N403-T405 VanDerWaalsContact C-N 3.28Å; N403-T405 PolarHBondContact O-N 2.63Å; N403-T405 WeakPolarHBondContact OD1-CB 3.4Å; N403-T405 PolarHBondContact OD1-N 3.36Å; N403-V406 HydrophobicContact CB-CB 4.21Å; N403-V406 HydrophobicContact CB-CG2 4.1Å; N403-V406 PolarHBondContact O-N 3.08Å; N403-V406 PolarHBondContact OD1-N 3.01Å; N403-V406 VanDerWaalsContact OD1-N 3.11Å; N403-N407 VanDerWaalsContact O-CB 3.3Å; N403-N407 WeakPolarHBondContact O-CB 3.43Å; N403-N407 PolarHBondContact O-N 2.91Å; N403-N407 PolarHBondContact O-ND2 3.38Å
404	T	87.3	Confident	91.7	Very high	1 Å²	1	36 Å²	36	1%	0.006	19%	0.189	C	C	.	.	H	α-helix	trans	-60.2	-35.4	-178.5	-55.9	0	0	0	0	113.1	L263 N318 V321 Y322 Y402 N407 N408	L263-T404 HydrophobicContact CD2-CG2 4.25Å; N318-T404 WeakPolarHBondContact CA-OG1 3.43Å; N318-T404 HydrophobicContact CB-CG2 4.07Å; N318-T404 WeakPolarHBondContact CB-OG1 3.34Å; N318-T404 PolarHBondContact O-OG1 2.73Å; V321-T404 HydrophobicContact CG2-CG2 4.42Å; Y322-T404 HydrophobicContact CE2-CG2 4.4Å; Y402-T404 PolarHBondContact O-N 3.05Å; T404-N407 PolarHBondContact O-N 3.22Å; T404-N408 WeakPolarHBondContact CG2-ND2 3.01Å; T404-N408 VanDerWaalsContact O-CB 3.32Å; T404-N408 WeakPolarHBondContact O-CB 3.2Å; T404-N408 PolarHBondContact O-N 2.8Å; T404-N408 PolarHBondContact O-ND2 2.93Å
405	T	87.8	Confident	92	Very high	111 Å²	111	29.9 Å²	29.9	68%	0.681	16%	0.161	S	C	*	.	H	α-helix	trans	-66	-48.8	179.7	-56.5	0	0	0	0	110.8	N403 N408 A409	N403-T405 VanDerWaalsContact C-N 3.28Å; N403-T405 PolarHBondContact O-N 2.63Å; N403-T405 WeakPolarHBondContact OD1-CB 3.4Å; N403-T405 PolarHBondContact OD1-N 3.36Å; T405-N408 PolarHBondContact O-N 3Å; T405-A409 WeakPolarHBondContact O-CB 3.29Å; T405-A409 PolarHBondContact O-N 3.27Å
406	V	91.4	Very high	92.3	Very high	24 Å²	24	24.8 Å²	24.8	15%	0.145	14%	0.141	C	C	.	.	H	α-helix	trans	-63.6	-45.4	176.9	179.7	0	0	0	0	110.2	C391 N403 N408 A409 M410	C391-V406 HydrophobicContact CB-CG1 4.38Å; C391-V406 HydrophobicContact CB-CG2 3.98Å; N403-V406 HydrophobicContact CB-CB 4.21Å; N403-V406 HydrophobicContact CB-CG2 4.1Å; N403-V406 PolarHBondContact O-N 3.08Å; N403-V406 PolarHBondContact OD1-N 3.01Å; N403-V406 VanDerWaalsContact OD1-N 3.11Å; V406-N408 VanDerWaalsContact C-N 3.27Å; V406-N408 PolarHBondContact O-N 3.48Å; V406-A409 PolarHBondContact O-N 3.28Å; V406-A409 VanDerWaalsContact O-N 3.13Å; V406-M410 HydrophobicContact CG1-CE 4.19Å; V406-M410 HydrophobicContact CG1-CG 4.42Å; V406-M410 HydrophobicContact CG1-SD 4.42Å; V406-M410 WeakPolarHBondContact O-CG 3.4Å; V406-M410 PolarHBondContact O-N 3.08Å
407	N	91.3	Very high	92.7	Very high	11 Å²	11	23.3 Å²	23.3	6%	0.059	13%	0.132	C	C	.	.	H	α-helix	trans	-59.7	-34.4	179.3	-73.6	-20.6	0	0	0	113.8	N318 V401 N403 T404 M410 Q415	N318-N407 PolarHBondContact OD1-ND2 2.96Å; V401-N407 PolarHBondContact O-ND2 3.19Å; N403-N407 VanDerWaalsContact O-CB 3.3Å; N403-N407 WeakPolarHBondContact O-CB 3.43Å; N403-N407 PolarHBondContact O-N 2.91Å; N403-N407 PolarHBondContact O-ND2 3.38Å; T404-N407 PolarHBondContact O-N 3.22Å; N407-M410 WeakPolarHBondContact OD1-CE 3.42Å; N407-Q415 VanDerWaalsContact CG-NE2 3.34Å; N407-Q415 WeakPolarHBondContact OD1-CG 3.29Å; N407-Q415 PolarHBondContact OD1-NE2 2.99Å
408	N	88.6	Confident	92.9	Very high	88 Å²	88	22.7 Å²	22.7	47%	0.471	13%	0.129	S	C	.	.	H	α-helix	trans	-82.7	-26.4	177.5	-70.7	-20.8	0	0	0	113	T404 T405 V406	T404-N408 WeakPolarHBondContact CG2-ND2 3.01Å; T404-N408 VanDerWaalsContact O-CB 3.32Å; T404-N408 WeakPolarHBondContact O-CB 3.2Å; T404-N408 PolarHBondContact O-N 2.8Å; T404-N408 PolarHBondContact O-ND2 2.93Å; T405-N408 PolarHBondContact O-N 3Å; V406-N408 VanDerWaalsContact C-N 3.27Å; V406-N408 PolarHBondContact O-N 3.48Å
409	A	91.8	Very high	93.3	Very high	51 Å²	51	20.9 Å²	20.9	42%	0.421	12%	0.122	S	C	.	.	H	α-helix	trans	-76.7	-33.5	176.8	0	0	0	0	0	112.3	L387 T405 V406 P411	L387-A409 HydrophobicContact CD1-CB 4.2Å; T405-A409 WeakPolarHBondContact O-CB 3.29Å; T405-A409 PolarHBondContact O-N 3.27Å; V406-A409 PolarHBondContact O-N 3.28Å; V406-A409 VanDerWaalsContact O-N 3.13Å; A409-P411 WeakPolarHBondContact O-CD 3.34Å
410	M	94	Very high	93.6	Very high	10 Å²	10	20.9 Å²	20.9	5%	0.049	12%	0.122	C	C	.	.			trans	-65.8	123.3	179.9	-72.1	-173.6	-68.7	0	0	111.8	L387 F388 V406 N407 V412 L414 Q415	L387-M410 HydrophobicContact CB-CG 4.07Å; L387-M410 HydrophobicContact CD1-CG 4.09Å; F388-M410 HydrophobicContact CB-SD 4.28Å; V406-M410 HydrophobicContact CG1-CE 4.19Å; V406-M410 HydrophobicContact CG1-CG 4.42Å; V406-M410 HydrophobicContact CG1-SD 4.42Å; V406-M410 WeakPolarHBondContact O-CG 3.4Å; V406-M410 PolarHBondContact O-N 3.08Å; N407-M410 WeakPolarHBondContact OD1-CE 3.42Å; M410-V412 WeakPolarHBondContact CB-O 3.44Å; M410-V412 PolarHBondContact O-N 3.2Å; M410-L414 HydrophobicContact SD-CB 4.42Å; M410-L414 HydrophobicContact SD-CD1 4.32Å; M410-Q415 HydrophobicContact CE-CB 4.41Å; M410-Q415 HydrophobicContact CE-CG 4.44Å; M410-Q415 VanDerWaalsContact CE-OE1 3.23Å
411	P	93.9	Very high	93.7	Very high	44 Å²	44	21.1 Å²	21.1	29%	0.286	12%	0.124	S	C	.	.	S	Bend	trans	-70.2	-16.7	179.4	29.5	-40	0	0	0	114	K380 E383 S384 A409	K380-P411 HydrophobicContact CB-CB 3.97Å; K380-P411 HydrophobicContact CB-CG 3.8Å; K380-P411 HydrophobicContact CD-CB 4.14Å; K380-P411 HydrophobicContact CG-CB 3.78Å; K380-P411 HydrophobicContact CG-CG 4.01Å; K380-P411 WeakPolarHBondContact O-CG 3.39Å; E383-P411 HydrophobicContact CB-CG 4.1Å; E383-P411 HydrophobicContact CG-CG 4.14Å; S384-P411 WeakPolarHBondContact OG-CD 3.45Å; S384-P411 WeakPolarHBondContact OG-CG 3.3Å; A409-P411 WeakPolarHBondContact O-CD 3.34Å
412	V	95.4	Very high	93.8	Very high	6 Å²	6	21.2 Å²	21.2	4%	0.036	12%	0.124	C	C	.	.	S	Bend	trans	-129.4	147.5	167.1	-68.2	0	0	0	0	111.3	L360 Y364 F377 K380 V381 S384 M410 L414	L360-V412 HydrophobicContact CD1-CB 4.02Å; L360-V412 HydrophobicContact CD1-CG2 4.33Å; L360-V412 HydrophobicContact CD2-CG2 4.41Å; Y364-V412 HydrophobicContact CD2-CG1 4.31Å; F377-V412 HydrophobicContact CD2-CG1 4.27Å; F377-V412 HydrophobicContact CE2-CG1 4.15Å; K380-V412 HydrophobicContact CB-CG1 3.86Å; V381-V412 HydrophobicContact CG2-CG2 4.06Å; S384-V412 WeakPolarHBondContact OG-CG2 3.29Å; S384-V412 PolarHBondContact OG-N 2.9Å; S384-V412 VanDerWaalsContact OG-N 3.17Å; S384-V412 PolarHBondContact OG-O 3.4Å; M410-V412 WeakPolarHBondContact CB-O 3.44Å; M410-V412 PolarHBondContact O-N 3.2Å; V412-L414 VanDerWaalsContact C-N 3.34Å; V412-L414 HydrophobicContact CG2-CG 4.39Å; V412-L414 PolarHBondContact O-N 3.46Å
413	R	95.6	Very high	94.1	Very high	52 Å²	52	21.2 Å²	21.2	20%	0.196	12%	0.124	C	C	.	.			trans	-85.3	68.9	-171.9	-58.5	-172.1	-62.5	165.9	-1.2	112.7	R359 L360 D363 Q415 V416	R359-R413 PolarHBondContact NH2-O 2.98Å; L360-R413 WeakPolarHBondContact CD1-O 3.36Å; D363-R413 IonicContact OD1-CZ 3.75Å; D363-R413 IonicContact OD1-NE 2.81Å; D363-R413 IonicContact OD1-NH2 3.52Å; D363-R413 PolarHBondContact OD1-NH2 3.2Å; D363-R413 IonicContact OD2-CZ 3.95Å; D363-R413 IonicContact OD2-NE 3.42Å; D363-R413 PolarHBondContact OD2-NE 3.49Å; D363-R413 IonicContact OD2-NH2 3.37Å; D363-R413 PolarHBondContact OD2-NH2 2.93Å; R413-Q415 VanDerWaalsContact C-N 3.32Å; R413-Q415 PolarHBondContact O-N 2.97Å; R413-V416 HydrophobicContact CB-CB 4.45Å; R413-V416 HydrophobicContact CB-CG2 3.88Å; R413-V416 PolarHBondContact O-N 3.13Å
414	L	95.9	Very high	94.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-54.9	-46.6	179	-71.8	174.6	0	0	0	112.4	L360 S384 L385 M410 V412 V416 G417 L498 F501 Y502	L360-L414 HydrophobicContact CD2-CD2 3.52Å; S384-L414 VanDerWaalsContact CB-CD1 3.4Å; L385-L414 HydrophobicContact CD2-CD1 3.91Å; L385-L414 HydrophobicContact CG-CD1 4.02Å; M410-L414 HydrophobicContact SD-CB 4.42Å; M410-L414 HydrophobicContact SD-CD1 4.32Å; V412-L414 VanDerWaalsContact C-N 3.34Å; V412-L414 HydrophobicContact CG2-CG 4.39Å; V412-L414 PolarHBondContact O-N 3.46Å; L414-V416 PolarHBondContact O-N 3.26Å; L414-V416 VanDerWaalsContact O-N 3.16Å; L414-G417 PolarHBondContact O-N 3.36Å; L414-L498 HydrophobicContact CD2-CD2 3.83Å; L414-F501 HydrophobicContact CB-CE1 4.33Å; L414-F501 HydrophobicContact CB-CZ 4.43Å; L414-F501 HydrophobicContact CD2-CE1 4.12Å; L414-Y502 PolarHBondContact O-OH 3.33Å
415	Q	96	Very high	94.6	Very high	4 Å²	4	21.5 Å²	21.5	2%	0.019	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-56.2	-33.7	-174.9	75	-76.8	23.2	0	0	113.1	N407 M410 R413 G417 L418 Y422	N407-Q415 VanDerWaalsContact CG-NE2 3.34Å; N407-Q415 WeakPolarHBondContact OD1-CG 3.29Å; N407-Q415 PolarHBondContact OD1-NE2 2.99Å; M410-Q415 HydrophobicContact CE-CB 4.41Å; M410-Q415 HydrophobicContact CE-CG 4.44Å; M410-Q415 VanDerWaalsContact CE-OE1 3.23Å; R413-Q415 VanDerWaalsContact C-N 3.32Å; R413-Q415 PolarHBondContact O-N 2.97Å; Q415-G417 PolarHBondContact O-N 3.17Å; Q415-L418 VanDerWaalsContact O-CB 3.31Å; Q415-L418 WeakPolarHBondContact O-CB 3.43Å; Q415-L418 PolarHBondContact O-N 3.42Å; Q415-Y422 WeakPolarHBondContact O-CE2 3.31Å; Q415-Y422 PolarHBondContact O-OH 3.1Å
416	V	97.3	Very high	95.1	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-66.3	-23.4	-179	-179.8	0	0	0	0	112	P225 W315 R413 L414 L418 Y419	P225-V416 HydrophobicContact CG-CG1 3.49Å; P225-V416 VanDerWaalsContact CG-CG1 3.49Å; W315-V416 HydrophobicContact CD2-CG1 4.32Å; W315-V416 HydrophobicContact CD2-CG2 3.99Å; W315-V416 HydrophobicContact CE3-CG2 3.8Å; W315-V416 HydrophobicContact CG-CG1 4.44Å; W315-V416 HydrophobicContact CH2-CG2 4.16Å; W315-V416 HydrophobicContact CZ2-CG2 4.32Å; W315-V416 HydrophobicContact CZ3-CG2 3.89Å; R413-V416 HydrophobicContact CB-CB 4.45Å; R413-V416 HydrophobicContact CB-CG2 3.88Å; R413-V416 PolarHBondContact O-N 3.13Å; L414-V416 PolarHBondContact O-N 3.26Å; L414-V416 VanDerWaalsContact O-N 3.16Å; V416-L418 VanDerWaalsContact C-N 3.35Å; V416-Y419 WeakPolarHBondContact O-CD1 3.22Å; V416-Y419 WeakPolarHBondContact O-CE1 3.39Å
417	G	97.9	Very high	95.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-81.8	-8	173.8	0	0	0	0	0	114.3	L414 Q415 Y419	L414-G417 PolarHBondContact O-N 3.36Å; Q415-G417 PolarHBondContact O-N 3.17Å; G417-Y419 PolarHBondContact O-N 2.57Å
418	L	97.8	Very high	95.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.111	C	C	.	.			trans	-82.3	56.9	-179.7	-54.2	178.9	0	0	0	110.7	F388 V401 Q415 V416 V420 V421 F501 Y502 F505	F388-L418 HydrophobicContact CE1-CD1 4.47Å; F388-L418 HydrophobicContact CE2-CD1 4.49Å; F388-L418 HydrophobicContact CZ-CD1 3.92Å; V401-L418 HydrophobicContact CG2-CD1 3.58Å; Q415-L418 VanDerWaalsContact O-CB 3.31Å; Q415-L418 WeakPolarHBondContact O-CB 3.43Å; Q415-L418 PolarHBondContact O-N 3.42Å; V416-L418 VanDerWaalsContact C-N 3.35Å; L418-V420 PolarHBondContact O-N 2.85Å; L418-V420 VanDerWaalsContact O-N 3.08Å; L418-V421 HydrophobicContact CB-CG2 3.9Å; L418-V421 WeakPolarHBondContact O-CB 3.47Å; L418-V421 WeakPolarHBondContact O-CG2 3.47Å; L418-V421 PolarHBondContact O-N 3.47Å; L418-F501 HydrophobicContact CD2-CE1 3.97Å; L418-F501 HydrophobicContact CD2-CZ 3.98Å; L418-Y502 HydrophobicContact CD2-CD1 3.8Å; L418-Y502 HydrophobicContact CD2-CE1 3.64Å; L418-Y502 HydrophobicContact CG-CE1 4.38Å; L418-F505 HydrophobicContact CB-CD1 4.43Å; L418-F505 HydrophobicContact CD1-CE1 4.35Å; L418-F505 HydrophobicContact CD1-CZ 4.37Å; L418-F505 HydrophobicContact CD2-CB 4.43Å; L418-F505 HydrophobicContact CD2-CD1 3.85Å; L418-F505 HydrophobicContact CD2-CD2 3.56Å; L418-F505 HydrophobicContact CD2-CE1 3.89Å; L418-F505 HydrophobicContact CD2-CE2 3.6Å; L418-F505 HydrophobicContact CD2-CG 3.68Å; L418-F505 HydrophobicContact CD2-CZ 3.77Å
419	Y	98.4	Very high	95.6	Very high	2 Å²	2	15.4 Å²	15.4	1%	0.008	9%	0.093	C	C	.	.	H	α-helix	trans	-52.9	-39.2	-166.6	-54.5	-42.7	0	0	0	114.2	Q224 L353 R354 P356 R359 V416 G417 V421 Y422 L423 L509 W520	Q224-Y419 HydrophobicContact CB-CE1 4.08Å; Q224-Y419 HydrophobicContact CG-CD1 3.83Å; Q224-Y419 HydrophobicContact CG-CE1 3.72Å; L353-Y419 HydrophobicContact CB-CD2 4.47Å; L353-Y419 HydrophobicContact CB-CE2 4.26Å; L353-Y419 HydrophobicContact CD1-CD2 4.03Å; L353-Y419 HydrophobicContact CD1-CG 4.25Å; L353-Y419 HydrophobicContact CD2-CD1 3.86Å; L353-Y419 HydrophobicContact CD2-CD2 3.98Å; L353-Y419 HydrophobicContact CD2-CE1 4.07Å; L353-Y419 HydrophobicContact CD2-CE2 4.2Å; L353-Y419 HydrophobicContact CD2-CG 3.77Å; L353-Y419 HydrophobicContact CG-CD2 4.41Å; R354-Y419 VanDerWaalsContact O-CE2 3.26Å; R354-Y419 WeakPolarHBondContact O-CE2 3.21Å; R354-Y419 PolarHBondContact O-OH 3.2Å; P356-Y419 HydrophobicContact CB-CE2 3.95Å; P356-Y419 HydrophobicContact CG-CE2 4.41Å; R359-Y419 WeakPolarHBondContact CD-OH 3.39Å; V416-Y419 WeakPolarHBondContact O-CD1 3.22Å; V416-Y419 WeakPolarHBondContact O-CE1 3.39Å; G417-Y419 PolarHBondContact O-N 2.57Å; Y419-V421 VanDerWaalsContact C-N 3.25Å; Y419-V421 PolarHBondContact O-N 3.02Å; Y419-Y422 PolarHBondContact O-N 3.11Å; Y419-L423 WeakPolarHBondContact O-CB 3.42Å; Y419-L423 PolarHBondContact O-N 3.33Å; Y419-L509 HydrophobicContact CD2-CD2 3.98Å; Y419-W520 AromaticContact CD2-CH2 3.77Å; Y419-W520 HydrophobicContact CD2-CH2 3.77Å; Y419-W520 HydrophobicContact CD2-CZ3 4.19Å; Y419-W520 AromaticContact CE2-CH2 3.66Å; Y419-W520 HydrophobicContact CE2-CH2 3.66Å; Y419-W520 HydrophobicContact CE2-CZ2 4.38Å; Y419-W520 HydrophobicContact CE2-CZ3 4.19Å
420	V	97.5	Very high	95.8	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-65.4	-29.1	-175.9	72.7	0	0	0	0	113.1	F127 L418 L423 I424 F505 K508 L509 V512	F127-V420 HydrophobicContact CD1-CG1 4.29Å; F127-V420 HydrophobicContact CE1-CG1 3.48Å; F127-V420 VanDerWaalsContact CE1-CG1 3.48Å; F127-V420 HydrophobicContact CZ-CG1 3.99Å; L418-V420 PolarHBondContact O-N 2.85Å; L418-V420 VanDerWaalsContact O-N 3.08Å; V420-L423 PolarHBondContact O-N 3.28Å; V420-I424 HydrophobicContact CG2-CD1 3.8Å; V420-I424 HydrophobicContact CG2-CG1 4.12Å; V420-I424 WeakPolarHBondContact O-CB 3.3Å; V420-I424 VanDerWaalsContact O-CG1 3.31Å; V420-I424 WeakPolarHBondContact O-CG1 3.14Å; V420-I424 PolarHBondContact O-N 3.02Å; V420-F505 HydrophobicContact CG1-CB 4.12Å; V420-F505 HydrophobicContact CG1-CD1 4.22Å; V420-K508 HydrophobicContact CG1-CB 4.4Å; V420-K508 HydrophobicContact CG1-CG 4.43Å; V420-K508 HydrophobicContact CG2-CB 4.13Å; V420-K508 HydrophobicContact CG2-CG 3.64Å; V420-L509 HydrophobicContact CB-CB 4.03Å; V420-L509 HydrophobicContact CB-CD1 4.18Å; V420-L509 HydrophobicContact CG2-CB 4.28Å; V420-L509 HydrophobicContact CG2-CD1 4.41Å; V420-V512 HydrophobicContact CG2-CG2 4.11Å
421	V	95.1	Very high	95.9	Very high	6 Å²	6	15.1 Å²	15.1	4%	0.036	9%	0.088	C	C	.	.	H	α-helix	trans	-63.5	-47.1	178.4	-175.4	0	0	0	0	109.5	M397 V401 L418 Y419 F505	M397-V421 HydrophobicContact CE-CG1 4.3Å; M397-V421 HydrophobicContact CE-CG2 3.74Å; M397-V421 HydrophobicContact SD-CB 4.4Å; M397-V421 HydrophobicContact SD-CG1 4.01Å; M397-V421 HydrophobicContact SD-CG2 3.45Å; M397-V421 WeakPolarHBondContact SD-CG2 3.04Å; V401-V421 HydrophobicContact CB-CG1 4.23Å; V401-V421 HydrophobicContact CG1-CB 4.5Å; V401-V421 HydrophobicContact CG1-CG1 3.98Å; V401-V421 HydrophobicContact CG2-CG1 4.29Å; V401-V421 HydrophobicContact CG2-CG2 4.47Å; L418-V421 HydrophobicContact CB-CG2 3.9Å; L418-V421 WeakPolarHBondContact O-CB 3.47Å; L418-V421 WeakPolarHBondContact O-CG2 3.47Å; L418-V421 PolarHBondContact O-N 3.47Å; Y419-V421 VanDerWaalsContact C-N 3.25Å; Y419-V421 PolarHBondContact O-N 3.02Å; V421-F505 HydrophobicContact CG2-CD1 4.33Å; V421-F505 HydrophobicContact CG2-CE1 4.41Å
422	Y	96.4	Very high	96	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.008	9%	0.093	C	C	.	.	H	α-helix	trans	-71.7	-43.4	175.8	-51.6	-63.4	0	0	0	111.7	W315 V401 Y402 Q415 Y419 I424 D425 W426	W315-Y422 HydrophobicContact CB-CD1 3.9Å; W315-Y422 HydrophobicContact CB-CD2 3.91Å; W315-Y422 HydrophobicContact CB-CE1 3.72Å; W315-Y422 HydrophobicContact CB-CE2 3.71Å; W315-Y422 HydrophobicContact CB-CG 3.99Å; V401-Y422 HydrophobicContact CG1-CE1 3.64Å; V401-Y422 HydrophobicContact CG1-CE2 4.45Å; V401-Y422 VanDerWaalsContact CG1-OH 3.3Å; V401-Y422 WeakPolarHBondContact CG1-OH 3.49Å; Y402-Y422 HydrophobicContact CE1-CD1 4.14Å; Y402-Y422 AromaticContact CE1-CE1 3.9Å; Y402-Y422 HydrophobicContact CE1-CE1 3.9Å; Y402-Y422 AromaticContact CZ-CD1 3.97Å; Y402-Y422 WeakPolarHBondContact OH-CD1 3.21Å; Q415-Y422 WeakPolarHBondContact O-CE2 3.31Å; Q415-Y422 PolarHBondContact O-OH 3.1Å; Y419-Y422 PolarHBondContact O-N 3.11Å; Y422-I424 PolarHBondContact O-N 3.38Å; Y422-D425 WeakPolarHBondContact O-CB 3.42Å; Y422-D425 PolarHBondContact O-N 2.96Å; Y422-D425 VanDerWaalsContact O-N 3.1Å; Y422-W426 VanDerWaalsContact O-CD1 3.23Å; Y422-W426 PolarHBondContact O-N 3.1Å; Y422-W426 VanDerWaalsContact O-N 3.11Å
423	L	96.9	Very high	96.1	Very high	2 Å²	2	24 Å²	24	1%	0.01	12%	0.121	C	C	.	.	H	α-helix	trans	-64.6	-39.6	-174	-177.3	64.8	0	0	0	112.8	M314 Y419 V420 D425 W426 L427 I435 V437 L509 V512 L513	M314-L423 HydrophobicContact CE-CB 3.91Å; M314-L423 HydrophobicContact CE-CD1 4.27Å; Y419-L423 WeakPolarHBondContact O-CB 3.42Å; Y419-L423 PolarHBondContact O-N 3.33Å; V420-L423 PolarHBondContact O-N 3.28Å; L423-D425 PolarHBondContact O-N 2.95Å; L423-W426 PolarHBondContact O-N 3.16Å; L423-L427 HydrophobicContact CD1-CD1 4.37Å; L423-L427 HydrophobicContact CD1-CG 4.37Å; L423-L427 HydrophobicContact CD2-CD1 4.39Å; L423-L427 HydrophobicContact CG-CD1 3.91Å; L423-L427 HydrophobicContact CG-CG 4.36Å; L423-L427 WeakPolarHBondContact O-CB 3.45Å; L423-L427 WeakPolarHBondContact O-CG 3.4Å; L423-L427 PolarHBondContact O-N 3.11Å; L423-I435 HydrophobicContact CD1-CG2 4.21Å; L423-V437 HydrophobicContact CD1-CG2 4.3Å; L423-L509 HydrophobicContact CD2-CD1 3.65Å; L423-V512 HydrophobicContact CD2-CG1 4.19Å; L423-L513 HydrophobicContact CD2-CD1 4.34Å; L423-L513 HydrophobicContact CD2-CD2 3.63Å; L423-L513 HydrophobicContact CD2-CG 3.98Å
424	I	94.9	Very high	96.3	Very high	37 Å²	37	22.7 Å²	22.7	19%	0.19	12%	0.118	C	C	.	.	H	α-helix	trans	-60.6	-36.1	175.8	-71.6	171.2	0	0	0	110.6	V420 Y422 L427 A428 V512	V420-I424 HydrophobicContact CG2-CD1 3.8Å; V420-I424 HydrophobicContact CG2-CG1 4.12Å; V420-I424 WeakPolarHBondContact O-CB 3.3Å; V420-I424 VanDerWaalsContact O-CG1 3.31Å; V420-I424 WeakPolarHBondContact O-CG1 3.14Å; V420-I424 PolarHBondContact O-N 3.02Å; Y422-I424 PolarHBondContact O-N 3.38Å; I424-L427 PolarHBondContact O-N 3.23Å; I424-A428 WeakPolarHBondContact O-CB 3.32Å; I424-A428 PolarHBondContact O-N 3.37Å; I424-V512 HydrophobicContact CD1-CG2 4.15Å; I424-V512 HydrophobicContact CG1-CG2 4.1Å
425	D	93.9	Very high	96.4	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.011	12%	0.121	C	C	.	.	H	α-helix	trans	-67.2	-35.9	176.8	-102.7	-12.5	0	0	0	114.3	R131 L335 Q337 R398 Y402 Y422 L423	R131-D425 WeakPolarHBondContact CD-OD1 3.28Å; L335-D425 HydrophobicContact CD1-CB 4.11Å; L335-D425 VanDerWaalsContact CD1-CG 3.45Å; L335-D425 WeakPolarHBondContact CD1-OD2 3.5Å; Q337-D425 PolarHBondContact NE2-O 2.94Å; R398-D425 IonicContact CZ-OD1 2.91Å; R398-D425 IonicContact CZ-OD2 3.94Å; R398-D425 IonicContact NH1-OD1 3.26Å; R398-D425 PolarHBondContact NH1-OD1 3.44Å; R398-D425 IonicContact NH1-OD2 3.9Å; R398-D425 PolarHBondContact NH1-OD2 2.97Å; R398-D425 IonicContact NH2-OD1 3.02Å; R398-D425 PolarHBondContact NH2-OD1 3.25Å; R398-D425 IonicContact NH2-OD2 3.99Å; R398-D425 PolarHBondContact NH2-OD2 2.98Å; Y402-D425 PolarHBondContact OH-OD2 3.43Å; Y422-D425 WeakPolarHBondContact O-CB 3.42Å; Y422-D425 PolarHBondContact O-N 2.96Å; Y422-D425 VanDerWaalsContact O-N 3.1Å; L423-D425 PolarHBondContact O-N 2.95Å
426	W	96.3	Very high	96.5	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.008	13%	0.128	C	C	.	.	H	α-helix	trans	-70.1	-43.7	172.2	-80.9	88.5	0	0	0	111.1	I222 T313 M314 Q337 I340 F349 Y422 L423 A428 V429 F430 I435	I222-W426 HydrophobicContact CD1-CD2 3.81Å; I222-W426 HydrophobicContact CD1-CE3 4.03Å; I222-W426 HydrophobicContact CD1-CG 4.46Å; I222-W426 HydrophobicContact CD1-CH2 3.95Å; I222-W426 HydrophobicContact CD1-CZ2 3.74Å; I222-W426 HydrophobicContact CD1-CZ3 4.11Å; I222-W426 HydrophobicContact CG2-CH2 4.19Å; I222-W426 HydrophobicContact CG2-CZ2 4.49Å; T313-W426 HydrophobicContact CG2-CH2 4.1Å; T313-W426 HydrophobicContact CG2-CZ2 4.09Å; M314-W426 PolarHBondContact O-NE1 2.86Å; Q337-W426 HydrophobicContact CB-CD2 3.82Å; Q337-W426 HydrophobicContact CB-CE3 3.58Å; Q337-W426 HydrophobicContact CB-CH2 3.93Å; Q337-W426 HydrophobicContact CB-CZ2 4.13Å; Q337-W426 HydrophobicContact CB-CZ3 3.63Å; Q337-W426 HydrophobicContact CG-CD2 4.44Å; I340-W426 HydrophobicContact CD1-CH2 3.96Å; F349-W426 HydrophobicContact CD1-CE3 4.25Å; F349-W426 HydrophobicContact CD1-CH2 4.01Å; F349-W426 AromaticContact CD1-CZ3 3.51Å; F349-W426 HydrophobicContact CD1-CZ3 3.51Å; F349-W426 HydrophobicContact CD2-CE3 4.38Å; F349-W426 HydrophobicContact CD2-CZ3 4.22Å; F349-W426 HydrophobicContact CE1-CE3 4.35Å; F349-W426 AromaticContact CE1-CH2 3.85Å; F349-W426 HydrophobicContact CE1-CH2 3.85Å; F349-W426 AromaticContact CE1-CZ3 3.33Å; F349-W426 HydrophobicContact CE1-CZ3 3.33Å; F349-W426 HydrophobicContact CE2-CE3 4.45Å; F349-W426 HydrophobicContact CE2-CZ3 4.06Å; F349-W426 HydrophobicContact CG-CE3 4.29Å; F349-W426 AromaticContact CG-CZ3 3.98Å; F349-W426 HydrophobicContact CG-CZ3 3.98Å; F349-W426 HydrophobicContact CZ-CE3 4.44Å; F349-W426 HydrophobicContact CZ-CH2 4.49Å; F349-W426 AromaticContact CZ-CZ3 3.62Å; F349-W426 HydrophobicContact CZ-CZ3 3.62Å; Y422-W426 VanDerWaalsContact O-CD1 3.23Å; Y422-W426 PolarHBondContact O-N 3.1Å; Y422-W426 VanDerWaalsContact O-N 3.11Å; L423-W426 PolarHBondContact O-N 3.16Å; W426-A428 PolarHBondContact O-N 3.34Å; W426-V429 PolarHBondContact O-N 3.45Å; W426-V429 VanDerWaalsContact O-N 3.16Å; W426-F430 AromaticContact CE3-CD2 3.89Å; W426-F430 HydrophobicContact CE3-CD2 3.89Å; W426-F430 HydrophobicContact CE3-CE2 4.13Å; W426-F430 HydrophobicContact CZ3-CD2 4.15Å; W426-F430 AromaticContact CZ3-CE2 3.92Å; W426-F430 HydrophobicContact CZ3-CE2 3.92Å; W426-F430 PolarHBondContact O-N 2.98Å; W426-I435 HydrophobicContact CB-CD1 3.83Å
427	L	95.3	Very high	96.6	Very high	45 Å²	45	25.3 Å²	25.3	24%	0.236	13%	0.132	C	C	.	.	H	α-helix	trans	-69.8	-16.3	178.3	-70.8	170.1	0	0	0	113.9	L423 I424 R432 I435 V512	L423-L427 HydrophobicContact CD1-CD1 4.37Å; L423-L427 HydrophobicContact CD1-CG 4.37Å; L423-L427 HydrophobicContact CD2-CD1 4.39Å; L423-L427 HydrophobicContact CG-CD1 3.91Å; L423-L427 HydrophobicContact CG-CG 4.36Å; L423-L427 WeakPolarHBondContact O-CB 3.45Å; L423-L427 WeakPolarHBondContact O-CG 3.4Å; L423-L427 PolarHBondContact O-N 3.11Å; I424-L427 PolarHBondContact O-N 3.23Å; L427-R432 HydrophobicContact CD2-CB 4.26Å; L427-I435 HydrophobicContact CD2-CD1 3.94Å; L427-I435 HydrophobicContact CG-CD1 4.3Å; L427-V512 HydrophobicContact CD1-CG1 3.56Å
428	A	93.6	Very high	96.6	Very high	41 Å²	41	25.8 Å²	25.8	34%	0.339	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-17.6	173	0	0	0	0	0	112.8	I424 W426	I424-A428 WeakPolarHBondContact O-CB 3.32Å; I424-A428 PolarHBondContact O-N 3.37Å; W426-A428 PolarHBondContact O-N 3.34Å
429	V	94.1	Very high	96.6	Very high	17 Å²	17	27.4 Å²	27.4	10%	0.103	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.1	-38.1	-175	-178	0	0	0	0	111.8	Q337 H341 W426	Q337-V429 HydrophobicContact CG-CB 4.18Å; Q337-V429 HydrophobicContact CG-CG2 3.91Å; H341-V429 HydrophobicContact CB-CG1 3.31Å; H341-V429 VanDerWaalsContact CG-CG1 3.4Å; W426-V429 PolarHBondContact O-N 3.45Å; W426-V429 VanDerWaalsContact O-N 3.16Å
430	F	95.8	Very high	96.6	Very high	5 Å²	5	29.1 Å²	29.1	2%	0.022	15%	0.15	C	C	.	.	S	Bend	trans	-110.2	147.9	179.6	-70.3	-77.4	0	0	0	111.7	Q337 I340 H341 A347 F349 W426 I435	Q337-F430 HydrophobicContact CB-CD2 4.3Å; Q337-F430 HydrophobicContact CB-CE2 3.95Å; I340-F430 HydrophobicContact CB-CZ 4.37Å; I340-F430 HydrophobicContact CG2-CZ 4.04Å; H341-F430 HydrophobicContact CB-CE1 4Å; H341-F430 HydrophobicContact CB-CE2 3.96Å; H341-F430 HydrophobicContact CB-CZ 3.53Å; H341-F430 AromaticContact CD2-CE1 3.76Å; A347-F430 HydrophobicContact CB-CE1 4.45Å; F349-F430 HydrophobicContact CD2-CD2 4.39Å; F349-F430 HydrophobicContact CD2-CG 4.31Å; F349-F430 HydrophobicContact CE2-CB 4.44Å; F349-F430 AromaticContact CE2-CD1 3.62Å; F349-F430 HydrophobicContact CE2-CD1 3.62Å; F349-F430 AromaticContact CE2-CD2 3.65Å; F349-F430 HydrophobicContact CE2-CD2 3.65Å; F349-F430 AromaticContact CE2-CE1 3.58Å; F349-F430 HydrophobicContact CE2-CE1 3.58Å; F349-F430 AromaticContact CE2-CE2 3.61Å; F349-F430 HydrophobicContact CE2-CE2 3.61Å; F349-F430 AromaticContact CE2-CG 3.63Å; F349-F430 HydrophobicContact CE2-CG 3.63Å; F349-F430 AromaticContact CE2-CZ 3.56Å; F349-F430 HydrophobicContact CE2-CZ 3.56Å; F349-F430 HydrophobicContact CZ-CD1 4.36Å; F349-F430 HydrophobicContact CZ-CD2 4.1Å; F349-F430 AromaticContact CZ-CE1 3.88Å; F349-F430 HydrophobicContact CZ-CE1 3.88Å; F349-F430 AromaticContact CZ-CE2 3.59Å; F349-F430 HydrophobicContact CZ-CE2 3.59Å; F349-F430 HydrophobicContact CZ-CG 4.44Å; F349-F430 AromaticContact CZ-CZ 3.45Å; F349-F430 HydrophobicContact CZ-CZ 3.45Å; F349-F430 VanDerWaalsContact CZ-CZ 3.45Å; W426-F430 AromaticContact CE3-CD2 3.89Å; W426-F430 HydrophobicContact CE3-CD2 3.89Å; W426-F430 HydrophobicContact CE3-CE2 4.13Å; W426-F430 HydrophobicContact CZ3-CD2 4.15Å; W426-F430 AromaticContact CZ3-CE2 3.92Å; W426-F430 HydrophobicContact CZ3-CE2 3.92Å; W426-F430 PolarHBondContact O-N 2.98Å; F430-I435 HydrophobicContact CB-CD1 4.29Å; F430-I435 HydrophobicContact CB-CG1 4.49Å
431	S	95.9	Very high	96.5	Very high	50 Å²	50	32 Å²	32	35%	0.35	16%	0.163	S	C	.	.			trans	-64.9	155.9	174.1	68.9	0	0	0	0	111.3	E433 Q434	S431-E433 WeakPolarHBondContact CB-OE2 3.49Å; S431-E433 PolarHBondContact O-N 3.01Å; S431-Q434 PolarHBondContact O-N 3.13Å; S431-Q434 VanDerWaalsContact O-N 3.14Å; S431-Q434 VanDerWaalsContact OG-CG 3.3Å; S431-Q434 WeakPolarHBondContact OG-CG 2.91Å; S431-Q434 PolarHBondContact OG-OE1 3.28Å
432	R	96.4	Very high	96.5	Very high	99 Å²	99	34.6 Å²	34.6	37%	0.374	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-62.1	-33.7	-179.7	177.9	179.5	-66	-87.4	-2.3	111.4	L427 Q434 I435 V512	L427-R432 HydrophobicContact CD2-CB 4.26Å; R432-Q434 PolarHBondContact O-N 2.93Å; R432-I435 PolarHBondContact O-N 3.5Å; R432-I435 VanDerWaalsContact O-N 3.11Å; R432-V512 PolarHBondContact NH1-O 3.49Å; R432-V512 PolarHBondContact NH2-O 3.47Å
433	E	97.6	Very high	96.5	Very high	137 Å²	137	34.7 Å²	34.7	64%	0.64	18%	0.177	S	C	*	.	G	3₁₀ helix	trans	-68.9	-16.8	-178.4	-60	67.4	-143.5	0	0	112.1	S431 F457	S431-E433 WeakPolarHBondContact CB-OE2 3.49Å; S431-E433 PolarHBondContact O-N 3.01Å; E433-F457 VanDerWaalsContact O-CE2 3.29Å; E433-F457 WeakPolarHBondContact O-CE2 3.5Å
434	Q	98.3	Very high	96.4	Very high	26 Å²	26	38.4 Å²	38.4	12%	0.121	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-91	-2.1	174.7	-69.7	172.5	-84.4	0	0	113.4	P345 A347 F349 S431 R432 F457	P345-Q434 PolarHBondContact O-NE2 3.02Å; A347-Q434 PolarHBondContact O-NE2 3.31Å; F349-Q434 PolarHBondContact N-O 3.34Å; S431-Q434 PolarHBondContact O-N 3.13Å; S431-Q434 VanDerWaalsContact O-N 3.14Å; S431-Q434 VanDerWaalsContact OG-CG 3.3Å; S431-Q434 WeakPolarHBondContact OG-CG 2.91Å; S431-Q434 PolarHBondContact OG-OE1 3.28Å; R432-Q434 PolarHBondContact O-N 2.93Å; Q434-F457 WeakPolarHBondContact O-CZ 3.35Å
435	I	98.6	Very high	96.3	Very high	15 Å²	15	45.6 Å²	45.6	8%	0.077	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	105	-177.2	-50.7	-177.7	0	0	0	110.6	F349 V351 L423 W426 L427 F430 R432 V437	F349-I435 HydrophobicContact CB-CG1 4.3Å; F349-I435 HydrophobicContact CB-CG2 4.45Å; F349-I435 HydrophobicContact CD2-CG1 4.17Å; F349-I435 CarbonylContact O-C 3.58Å; F349-I435 WeakPolarHBondContact O-CA 3.5Å; V351-I435 HydrophobicContact CG2-CG2 3.92Å; L423-I435 HydrophobicContact CD1-CG2 4.21Å; W426-I435 HydrophobicContact CB-CD1 3.83Å; L427-I435 HydrophobicContact CD2-CD1 3.94Å; L427-I435 HydrophobicContact CG-CD1 4.3Å; F430-I435 HydrophobicContact CB-CD1 4.29Å; F430-I435 HydrophobicContact CB-CG1 4.49Å; R432-I435 PolarHBondContact O-N 3.5Å; R432-I435 VanDerWaalsContact O-N 3.11Å; I435-V437 HydrophobicContact CG2-CG2 3.99Å
436	L	98.8	Very high	96.4	Very high	28 Å²	28	48.8 Å²	48.8	15%	0.147	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	115.5	171.9	178.7	63.4	0	0	0	110.4	F349 I350 V351 L438 V454 F457	F349-L436 PolarHBondContact O-N 2.97Å; I350-L436 WeakPolarHBondContact CA-O 3.5Å; I350-L436 HydrophobicContact CG1-CB 4.47Å; V351-L436 PolarHBondContact N-O 3.2Å; L436-L438 HydrophobicContact CD1-CD2 3.94Å; L436-L438 HydrophobicContact CD2-CD1 4.31Å; L436-L438 HydrophobicContact CD2-CD2 4.03Å; L436-L438 HydrophobicContact CD2-CG 4.28Å; L436-L438 HydrophobicContact CG-CD2 3.86Å; L436-L438 HydrophobicContact CG-CG 4.06Å; L436-V454 HydrophobicContact CD2-CB 4.4Å; L436-V454 HydrophobicContact CD2-CG2 3.82Å; L436-F457 HydrophobicContact CB-CD1 3.74Å; L436-F457 HydrophobicContact CB-CD2 3.79Å; L436-F457 HydrophobicContact CB-CE1 3.77Å; L436-F457 HydrophobicContact CB-CE2 3.8Å; L436-F457 HydrophobicContact CB-CG 3.74Å; L436-F457 HydrophobicContact CB-CZ 3.79Å; L436-F457 HydrophobicContact CD2-CB 3.77Å; L436-F457 HydrophobicContact CD2-CD1 3.89Å; L436-F457 HydrophobicContact CD2-CG 3.83Å; L436-F457 HydrophobicContact CG-CD1 4.46Å; L436-F457 HydrophobicContact CG-CG 4.3Å
437	V	98.7	Very high	96.3	Very high	15 Å²	15	50.8 Å²	50.8	9%	0.091	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	122	175.1	-169.5	0	0	0	0	110.9	V351 L353 L423 I435 L513 F518	V351-V437 HydrophobicContact CB-CG1 4.35Å; V351-V437 HydrophobicContact CB-CG2 4.15Å; V351-V437 HydrophobicContact CG1-CG1 4.28Å; V351-V437 CarbonylContact O-C 3.5Å; V351-V437 WeakPolarHBondContact O-CA 3.38Å; L353-V437 HydrophobicContact CD1-CG1 3.6Å; L353-V437 HydrophobicContact CG-CG1 3.88Å; L423-V437 HydrophobicContact CD1-CG2 4.3Å; I435-V437 HydrophobicContact CG2-CG2 3.99Å; V437-L513 HydrophobicContact CB-CD1 4.36Å; V437-L513 HydrophobicContact CB-CD2 4.11Å; V437-L513 HydrophobicContact CG1-CD1 3.92Å; V437-L513 HydrophobicContact CG1-CD2 4.48Å; V437-L513 HydrophobicContact CG2-CD2 3.82Å; V437-F518 HydrophobicContact CG1-CE1 3.84Å; V437-F518 HydrophobicContact CG1-CZ 3.85Å
438	L	98.5	Very high	96.2	Very high	10 Å²	10	53.6 Å²	53.6	5%	0.052	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	152.3	-177	-57.2	176.2	0	0	0	110.7	L232 I350 V351 M352 L353 L436 T450 V454	L232-L438 HydrophobicContact CD2-CD1 4.34Å; I350-L438 HydrophobicContact CG2-CD1 3.97Å; V351-L438 PolarHBondContact O-N 3.48Å; M352-L438 HydrophobicContact CG-CB 4.37Å; M352-L438 HydrophobicContact CG-CD1 4.45Å; L353-L438 PolarHBondContact N-O 3.43Å; L436-L438 HydrophobicContact CD1-CD2 3.94Å; L436-L438 HydrophobicContact CD2-CD1 4.31Å; L436-L438 HydrophobicContact CD2-CD2 4.03Å; L436-L438 HydrophobicContact CD2-CG 4.28Å; L436-L438 HydrophobicContact CG-CD2 3.86Å; L436-L438 HydrophobicContact CG-CG 4.06Å; L438-T450 HydrophobicContact CD1-CG2 3.93Å; L438-T450 HydrophobicContact CD2-CG2 4.12Å; L438-T450 HydrophobicContact CG-CG2 4.45Å; L438-V454 HydrophobicContact CD1-CG2 3.63Å
439	R	97.8	Very high	96.3	Very high	35 Å²	35	54.8 Å²	54.8	13%	0.132	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	136.5	170.5	-68.5	173.8	65.1	-133.3	9.7	109.9	L353 E441 D442 H443 S517 F518	L353-R439 CarbonylContact O-C 3.17Å; L353-R439 WeakPolarHBondContact O-CA 3.31Å; R439-E441 VanDerWaalsContact C-N 3.25Å; R439-E441 IonicContact NE-OE2 3.58Å; R439-E441 PolarHBondContact O-N 3.4Å; R439-D442 HydrophobicContact CB-CB 4.17Å; R439-D442 WeakPolarHBondContact CB-OD2 3.37Å; R439-D442 WeakPolarHBondContact CD-OD2 3.42Å; R439-D442 IonicContact CZ-OD1 3.66Å; R439-D442 IonicContact NH1-OD1 2.76Å; R439-D442 PolarHBondContact NH1-OD1 3.43Å; R439-D442 IonicContact NH1-OD2 2.9Å; R439-D442 PolarHBondContact NH1-OD2 3.49Å; R439-D442 PolarHBondContact O-N 3.45Å; R439-H443 PolarHBondContact O-N 2.85Å; R439-S517 VanDerWaalsContact CZ-O 3.22Å; R439-S517 PolarHBondContact NE-O 3.34Å; R439-S517 PolarHBondContact NH2-O 2.87Å; R439-S517 VanDerWaalsContact NH2-O 3.15Å; R439-F518 HydrophobicContact CG-CD1 3.87Å; R439-F518 HydrophobicContact CG-CE1 3.28Å; R439-F518 HydrophobicContact CG-CE2 4.09Å; R439-F518 HydrophobicContact CG-CG 4.5Å; R439-F518 HydrophobicContact CG-CZ 3.43Å; R439-F518 VanDerWaalsContact CG-CZ 3.43Å
440	L	97.2	Very high	96.4	Very high	38 Å²	38	54.1 Å²	54.1	20%	0.199	27%	0.272	C	S	.	.	H	α-helix	trans	-64.3	-35.6	176.5	179.5	60.5	0	0	0	110.9	M352 L353 R354 D442 H443 A444	M352-L440 HydrophobicContact CE-CD1 3.92Å; L353-L440 WeakPolarHBondContact O-CB 3.44Å; L353-L440 PolarHBondContact O-N 3.09Å; R354-L440 HydrophobicContact CB-CB 4.12Å; R354-L440 HydrophobicContact CB-CD2 4.25Å; R354-L440 HydrophobicContact CG-CB 4.34Å; R354-L440 HydrophobicContact CG-CD2 3.99Å; L440-D442 VanDerWaalsContact C-N 3.34Å; L440-H443 PolarHBondContact O-N 2.72Å; L440-A444 VanDerWaalsContact O-CB 3.31Å; L440-A444 WeakPolarHBondContact O-CB 3.42Å; L440-A444 PolarHBondContact O-N 2.94Å
441	E	96.3	Very high	96.5	Very high	59 Å²	59	54 Å²	54	28%	0.276	27%	0.272	S	S	.	.	H	α-helix	trans	-61.3	-44.6	177	-61.1	79.1	-168.5	0	0	110.9	R354 D355 R439 A444 F445 W520	R354-E441 VanDerWaalsContact CG-OE1 3.29Å; R354-E441 WeakPolarHBondContact CG-OE1 3.43Å; D355-E441 PolarHBondContact N-OE1 3.17Å; R439-E441 VanDerWaalsContact C-N 3.25Å; R439-E441 IonicContact NE-OE2 3.58Å; R439-E441 PolarHBondContact O-N 3.4Å; E441-A444 PolarHBondContact O-N 3.32Å; E441-F445 WeakPolarHBondContact O-CB 3.44Å; E441-F445 PolarHBondContact O-N 2.74Å; E441-W520 PolarHBondContact OE2-NE1 2.87Å
442	D	96.1	Very high	96.5	Very high	61 Å²	61	55.1 Å²	55.1	33%	0.326	27%	0.271	S	S	.	.	H	α-helix	trans	-68.1	-40.7	178	-59.4	-15.6	0	0	0	110.8	R439 L440 A444 F445 D446	R439-D442 HydrophobicContact CB-CB 4.17Å; R439-D442 WeakPolarHBondContact CB-OD2 3.37Å; R439-D442 WeakPolarHBondContact CD-OD2 3.42Å; R439-D442 IonicContact CZ-OD1 3.66Å; R439-D442 IonicContact NH1-OD1 2.76Å; R439-D442 PolarHBondContact NH1-OD1 3.43Å; R439-D442 IonicContact NH1-OD2 2.9Å; R439-D442 PolarHBondContact NH1-OD2 3.49Å; R439-D442 PolarHBondContact O-N 3.45Å; L440-D442 VanDerWaalsContact C-N 3.34Å; D442-A444 VanDerWaalsContact C-N 3.32Å; D442-A444 PolarHBondContact O-N 3.27Å; D442-F445 PolarHBondContact O-N 2.94Å; D442-D446 CarbonylContact O-C 3.53Å; D442-D446 PolarHBondContact O-N 3.13Å
443	H	95.7	Very high	96.5	Very high	5 Å²	5	54.7 Å²	54.7	2%	0.023	27%	0.272	C	S	.	.	H	α-helix	trans	-63	-36.5	174.9	-175	74.1	0	0	0	113	D231 M352 R439 L440 M447 T450	D231-H443 IonicContact OD2-CD2 2.87Å; D231-H443 IonicContact OD2-CE1 3.12Å; D231-H443 IonicContact OD2-NE2 2.66Å; D231-H443 PolarHBondContact OD2-NE2 2.66Å; M352-H443 HydrophobicContact CE-CB 4.19Å; R439-H443 PolarHBondContact O-N 2.85Å; L440-H443 PolarHBondContact O-N 2.72Å; H443-M447 WeakPolarHBondContact O-CA 3.32Å; H443-M447 VanDerWaalsContact O-CB 3.29Å; H443-M447 WeakPolarHBondContact O-CB 3.46Å; H443-M447 PolarHBondContact O-N 3.09Å; H443-T450 WeakPolarHBondContact CA-OG1 3.35Å; H443-T450 HydrophobicContact CB-CG2 3.95Å; H443-T450 VanDerWaalsContact ND1-CG2 3.3Å; H443-T450 WeakPolarHBondContact ND1-CG2 2.94Å
444	A	93.7	Very high	96.5	Very high	79 Å²	79	48.1 Å²	48.1	65%	0.653	24%	0.242	S	C	*	.	H	α-helix	trans	-74.1	-32.4	176.8	0	0	0	0	0	112.2	L440 E441 D442	L440-A444 VanDerWaalsContact O-CB 3.31Å; L440-A444 WeakPolarHBondContact O-CB 3.42Å; L440-A444 PolarHBondContact O-N 2.94Å; E441-A444 PolarHBondContact O-N 3.32Å; D442-A444 VanDerWaalsContact C-N 3.32Å; D442-A444 PolarHBondContact O-N 3.27Å
445	F	94.6	Very high	96.5	Very high	188 Å²	188	47.5 Å²	47.5	83%	0.825	24%	0.238	S	C	*	.	H	α-helix	trans	-76.6	-54	178.3	179.3	-97.3	0	0	0	112.2	E441 D442	E441-F445 WeakPolarHBondContact O-CB 3.44Å; E441-F445 PolarHBondContact O-N 2.74Å; D442-F445 PolarHBondContact O-N 2.94Å
446	D	95.1	Very high	96.4	Very high	70 Å²	70	52.1 Å²	52.1	37%	0.374	26%	0.263	S	S	.	.			trans	-133.9	86.4	176.2	-166.3	-19.2	0	0	0	110.7	D442 K448 D449 T450	D442-D446 CarbonylContact O-C 3.53Å; D442-D446 PolarHBondContact O-N 3.13Å; D446-K448 VanDerWaalsContact C-N 3.28Å; D446-K448 PolarHBondContact O-N 3.48Å; D446-K448 WeakPolarHBondContact OD1-CB 3.3Å; D446-K448 PolarHBondContact OD1-N 3.36Å; D446-K448 VanDerWaalsContact OD1-N 3.13Å; D446-D449 HydrophobicContact CB-CB 4.17Å; D446-D449 PolarHBondContact OD1-N 3.24Å; D446-T450 PolarHBondContact O-N 3.4Å; D446-T450 VanDerWaalsContact O-N 3.15Å; D446-T450 PolarHBondContact O-OG1 2.68Å
447	M	94.1	Very high	96.3	Very high	44 Å²	44	52 Å²	52	22%	0.217	26%	0.262	C	S	.	.	H	α-helix	trans	-66.3	-32.2	178.4	-169.3	-169	-57.9	0	0	112.7	R235 H443 T450 L451	R235-M447 PolarHBondContact NE-SD 3.02Å; R235-M447 VanDerWaalsContact NE-SD 3.4Å; R235-M447 PolarHBondContact NH1-SD 3.14Å; H443-M447 WeakPolarHBondContact O-CA 3.32Å; H443-M447 VanDerWaalsContact O-CB 3.29Å; H443-M447 WeakPolarHBondContact O-CB 3.46Å; H443-M447 PolarHBondContact O-N 3.09Å; M447-T450 PolarHBondContact O-N 3.29Å; M447-L451 HydrophobicContact CG-CD1 4.05Å; M447-L451 HydrophobicContact CG-CG 4.38Å; M447-L451 WeakPolarHBondContact O-CB 3.49Å; M447-L451 VanDerWaalsContact O-CG 3.26Å; M447-L451 WeakPolarHBondContact O-CG 3.19Å; M447-L451 PolarHBondContact O-N 3.37Å; M447-L451 HydrophobicContact SD-CD1 4.48Å
448	K	94.4	Very high	96.3	Very high	103 Å²	103	51.3 Å²	51.3	45%	0.448	26%	0.257	S	S	.	.	H	α-helix	trans	-66.8	-50.2	-177.3	-172.3	-171.5	-172.3	-171.4	0	109.5	D446 T450 L451 H452 E468 T472	D446-K448 VanDerWaalsContact C-N 3.28Å; D446-K448 PolarHBondContact O-N 3.48Å; D446-K448 WeakPolarHBondContact OD1-CB 3.3Å; D446-K448 PolarHBondContact OD1-N 3.36Å; D446-K448 VanDerWaalsContact OD1-N 3.13Å; K448-T450 VanDerWaalsContact C-N 3.33Å; K448-T450 PolarHBondContact O-N 2.77Å; K448-L451 PolarHBondContact O-N 2.84Å; K448-H452 PolarHBondContact O-N 3.28Å; K448-E468 VanDerWaalsContact CE-CD 3.46Å; K448-E468 WeakPolarHBondContact CE-OE1 3.34Å; K448-E468 IonicContact NZ-OE1 2.68Å; K448-E468 IonicContact NZ-OE2 3.07Å; K448-T472 HydrophobicContact CB-CG2 4.41Å
449	D	95.4	Very high	96.1	Very high	66 Å²	66	55 Å²	55	35%	0.353	28%	0.277	S	S	.	.	H	α-helix	trans	-59.1	-44	174.8	176.1	61.3	0	0	0	111.8	D446 L451 H452 K453	D446-D449 HydrophobicContact CB-CB 4.17Å; D446-D449 PolarHBondContact OD1-N 3.24Å; D449-L451 PolarHBondContact O-N 3.33Å; D449-H452 PolarHBondContact O-N 3Å; D449-K453 WeakPolarHBondContact O-CG 3.15Å; D449-K453 PolarHBondContact O-N 2.98Å; D449-K453 IonicContact OD1-NZ 3.65Å; D449-K453 WeakPolarHBondContact OD2-CE 3.39Å; D449-K453 IonicContact OD2-NZ 3Å; D449-K453 PolarHBondContact OD2-NZ 3.2Å
450	T	96.3	Very high	95.8	Very high	3 Å²	3	54.2 Å²	54.2	2%	0.018	28%	0.276	C	S	.	.	H	α-helix	trans	-62.9	-41.5	178.4	-59.8	0	0	0	0	112.5	L438 H443 D446 M447 K448 K453 V454	L438-T450 HydrophobicContact CD1-CG2 3.93Å; L438-T450 HydrophobicContact CD2-CG2 4.12Å; L438-T450 HydrophobicContact CG-CG2 4.45Å; H443-T450 WeakPolarHBondContact CA-OG1 3.35Å; H443-T450 HydrophobicContact CB-CG2 3.95Å; H443-T450 VanDerWaalsContact ND1-CG2 3.3Å; H443-T450 WeakPolarHBondContact ND1-CG2 2.94Å; D446-T450 PolarHBondContact O-N 3.4Å; D446-T450 VanDerWaalsContact O-N 3.15Å; D446-T450 PolarHBondContact O-OG1 2.68Å; M447-T450 PolarHBondContact O-N 3.29Å; K448-T450 VanDerWaalsContact C-N 3.33Å; K448-T450 PolarHBondContact O-N 2.77Å; T450-K453 PolarHBondContact O-N 2.88Å; T450-V454 WeakPolarHBondContact O-CG2 3.22Å; T450-V454 PolarHBondContact O-N 3.35Å
451	L	96.3	Very high	95.2	Very high	3 Å²	3	53.8 Å²	53.8	2%	0.016	28%	0.28	C	S	.	.	H	α-helix	trans	-67.4	-38.7	176.3	-73.2	171.4	0	0	0	112.2	L232 R235 M447 K448 D449 K453 V454 F455 I471 T472	L232-L451 HydrophobicContact CD1-CD2 4.06Å; R235-L451 HydrophobicContact CB-CD2 4.32Å; M447-L451 HydrophobicContact CG-CD1 4.05Å; M447-L451 HydrophobicContact CG-CG 4.38Å; M447-L451 WeakPolarHBondContact O-CB 3.49Å; M447-L451 VanDerWaalsContact O-CG 3.26Å; M447-L451 WeakPolarHBondContact O-CG 3.19Å; M447-L451 PolarHBondContact O-N 3.37Å; M447-L451 HydrophobicContact SD-CD1 4.48Å; K448-L451 PolarHBondContact O-N 2.84Å; D449-L451 PolarHBondContact O-N 3.33Å; L451-K453 PolarHBondContact O-N 3.34Å; L451-V454 WeakPolarHBondContact O-CA 3.33Å; L451-V454 WeakPolarHBondContact O-CB 3.34Å; L451-V454 PolarHBondContact O-N 3.38Å; L451-V454 VanDerWaalsContact O-N 3.09Å; L451-F455 HydrophobicContact CB-CE2 4.09Å; L451-F455 HydrophobicContact CB-CZ 4.04Å; L451-F455 HydrophobicContact CD2-CZ 4.49Å; L451-F455 WeakPolarHBondContact O-CD1 3.21Å; L451-F455 WeakPolarHBondContact O-CD2 3.31Å; L451-F455 WeakPolarHBondContact O-CG 3.47Å; L451-F455 PolarHBondContact O-N 3.04Å; L451-I471 HydrophobicContact CD1-CG2 3.62Å; L451-T472 HydrophobicContact CD1-CG2 4.03Å
452	H	95.9	Very high	94.7	Very high	73 Å²	73	57.5 Å²	57.5	34%	0.338	31%	0.31	S	S	.	.	H	α-helix	trans	-60	-44.2	173.7	-75.3	153	0	0	0	112.4	K448 D449 V454 F455 D456 E468	K448-H452 PolarHBondContact O-N 3.28Å; D449-H452 PolarHBondContact O-N 3Å; H452-V454 PolarHBondContact O-N 3.45Å; H452-F455 AromaticContact CD2-CD2 3.99Å; H452-F455 PolarHBondContact O-N 3.21Å; H452-D456 WeakPolarHBondContact O-CB 3.49Å; H452-D456 VanDerWaalsContact O-CG 3.28Å; H452-D456 PolarHBondContact O-N 3.38Å; H452-E468 IonicContact CE1-OE1 3.92Å; H452-E468 PolarHBondContact CE1-OE1 2.94Å; H452-E468 IonicContact NE2-OE1 3.8Å; H452-E468 PolarHBondContact NE2-OE1 2.99Å
453	K	97.6	Very high	94.3	Very high	90 Å²	90	56.5 Å²	56.5	39%	0.391	30%	0.304	S	S	.	.	H	α-helix	trans	-56.5	-37.7	173.3	-69.1	170.2	-171.8	162	0	112.2	D449 T450 L451 F457	D449-K453 WeakPolarHBondContact O-CG 3.15Å; D449-K453 PolarHBondContact O-N 2.98Å; D449-K453 IonicContact OD1-NZ 3.65Å; D449-K453 WeakPolarHBondContact OD2-CE 3.39Å; D449-K453 IonicContact OD2-NZ 3Å; D449-K453 PolarHBondContact OD2-NZ 3.2Å; T450-K453 PolarHBondContact O-N 2.88Å; L451-K453 PolarHBondContact O-N 3.34Å; K453-F457 WeakPolarHBondContact O-CB 3.28Å; K453-F457 PolarHBondContact O-N 3.33Å
454	V	98.1	Very high	94.1	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-69.2	-43.4	175.8	175.3	0	0	0	0	111.3	L232 L236 I350 L436 L438 T450 L451 H452 F457 L458	L232-V454 HydrophobicContact CD1-CG2 4.24Å; L236-V454 HydrophobicContact CD1-CG1 4.05Å; L236-V454 HydrophobicContact CD2-CG1 3.74Å; L236-V454 HydrophobicContact CG-CG1 4.48Å; I350-V454 HydrophobicContact CD1-CG1 3.72Å; L436-V454 HydrophobicContact CD2-CB 4.4Å; L436-V454 HydrophobicContact CD2-CG2 3.82Å; L438-V454 HydrophobicContact CD1-CG2 3.63Å; T450-V454 WeakPolarHBondContact O-CG2 3.22Å; T450-V454 PolarHBondContact O-N 3.35Å; L451-V454 WeakPolarHBondContact O-CA 3.33Å; L451-V454 WeakPolarHBondContact O-CB 3.34Å; L451-V454 PolarHBondContact O-N 3.38Å; L451-V454 VanDerWaalsContact O-N 3.09Å; H452-V454 PolarHBondContact O-N 3.45Å; V454-F457 PolarHBondContact O-N 3.06Å; V454-L458 HydrophobicContact CG1-CD1 3.88Å; V454-L458 HydrophobicContact CG1-CG 4.35Å; V454-L458 WeakPolarHBondContact O-CB 3.47Å; V454-L458 VanDerWaalsContact O-CG 3.31Å; V454-L458 WeakPolarHBondContact O-CG 3.49Å; V454-L458 PolarHBondContact O-N 3.09Å
455	F	96.5	Very high	94	Very high	12 Å²	12	62.9 Å²	62.9	5%	0.053	32%	0.324	C	S	.	.	H	α-helix	trans	-63.8	-45.3	179.3	-58.9	-24.5	0	0	0	111.8	L236 H239 L451 H452 L458 N459 L460 L463 I471	L236-F455 HydrophobicContact CD2-CD1 4.24Å; L236-F455 HydrophobicContact CD2-CE1 3.69Å; H239-F455 AromaticContact CD2-CD1 4Å; H239-F455 AromaticContact CD2-CE1 3.69Å; H239-F455 AromaticContact CD2-CZ 4Å; L451-F455 HydrophobicContact CB-CE2 4.09Å; L451-F455 HydrophobicContact CB-CZ 4.04Å; L451-F455 HydrophobicContact CD2-CZ 4.49Å; L451-F455 WeakPolarHBondContact O-CD1 3.21Å; L451-F455 WeakPolarHBondContact O-CD2 3.31Å; L451-F455 WeakPolarHBondContact O-CG 3.47Å; L451-F455 PolarHBondContact O-N 3.04Å; H452-F455 AromaticContact CD2-CD2 3.99Å; H452-F455 PolarHBondContact O-N 3.21Å; F455-L458 CarbonylContact O-C 3.51Å; F455-L458 PolarHBondContact O-N 2.78Å; F455-N459 PolarHBondContact O-N 3.24Å; F455-L460 HydrophobicContact CB-CB 4.16Å; F455-L460 HydrophobicContact CB-CD1 4.5Å; F455-L460 HydrophobicContact CD1-CD1 3.8Å; F455-L460 HydrophobicContact CG-CD1 4.48Å; F455-L460 PolarHBondContact O-N 3.46Å; F455-L463 HydrophobicContact CD2-CD1 4.22Å; F455-L463 HydrophobicContact CE2-CD1 3.51Å; F455-L463 HydrophobicContact CE2-CG 4.49Å; F455-L463 HydrophobicContact CZ-CD1 3.86Å; F455-I471 HydrophobicContact CZ-CD1 4.2Å
456	D	96.9	Very high	93.9	Very high	112 Å²	112	60.4 Å²	60.4	60%	0.599	31%	0.314	S	S	*	.	H	α-helix	trans	-61.1	-46.6	175	-66	-20.5	0	0	0	110.7	H452 L458 N459	H452-D456 WeakPolarHBondContact O-CB 3.49Å; H452-D456 VanDerWaalsContact O-CG 3.28Å; H452-D456 PolarHBondContact O-N 3.38Å; D456-L458 PolarHBondContact O-N 3.03Å; D456-N459 PolarHBondContact O-N 3.44Å; D456-N459 PolarHBondContact O-OD1 2.91Å
457	F	98.3	Very high	93.7	Very high	26 Å²	26	59.4 Å²	59.4	11%	0.114	31%	0.309	C	S	.	.	H	α-helix	trans	-62.2	-28.8	177.1	175.2	-103.5	0	0	0	113.5	R348 F349 I350 E433 Q434 L436 K453 V454	R348-F457 HydrophobicContact CB-CE1 3.83Å; R348-F457 HydrophobicContact CB-CZ 3.83Å; R348-F457 WeakPolarHBondContact CD-O 3.35Å; R348-F457 HydrophobicContact CG-CZ 4.31Å; R348-F457 PolarHBondContact NH1-O 3.15Å; F349-F457 WeakPolarHBondContact O-CZ 3.41Å; I350-F457 HydrophobicContact CD1-CD1 4.4Å; I350-F457 HydrophobicContact CG1-CD1 4.01Å; I350-F457 HydrophobicContact CG1-CE1 3.77Å; E433-F457 VanDerWaalsContact O-CE2 3.29Å; E433-F457 WeakPolarHBondContact O-CE2 3.5Å; Q434-F457 WeakPolarHBondContact O-CZ 3.35Å; L436-F457 HydrophobicContact CB-CD1 3.74Å; L436-F457 HydrophobicContact CB-CD2 3.79Å; L436-F457 HydrophobicContact CB-CE1 3.77Å; L436-F457 HydrophobicContact CB-CE2 3.8Å; L436-F457 HydrophobicContact CB-CG 3.74Å; L436-F457 HydrophobicContact CB-CZ 3.79Å; L436-F457 HydrophobicContact CD2-CB 3.77Å; L436-F457 HydrophobicContact CD2-CD1 3.89Å; L436-F457 HydrophobicContact CD2-CG 3.83Å; L436-F457 HydrophobicContact CG-CD1 4.46Å; L436-F457 HydrophobicContact CG-CG 4.3Å; K453-F457 WeakPolarHBondContact O-CB 3.28Å; K453-F457 PolarHBondContact O-N 3.33Å; V454-F457 PolarHBondContact O-N 3.06Å
458	L	96.9	Very high	93.7	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	4.3	176.7	-64.9	-179.5	0	0	0	113	Y218 F219 I305 I350 V454 F455 D456 L460	Y218-L458 HydrophobicContact CE1-CD2 4.42Å; F219-L458 HydrophobicContact CB-CD2 3.54Å; F219-L458 HydrophobicContact CD1-CD1 4.14Å; F219-L458 HydrophobicContact CD1-CD2 3.95Å; F219-L458 HydrophobicContact CD2-CD1 4.1Å; F219-L458 HydrophobicContact CD2-CD2 4Å; F219-L458 HydrophobicContact CE1-CD1 4.06Å; F219-L458 HydrophobicContact CE2-CD1 4.02Å; F219-L458 HydrophobicContact CG-CD1 4.15Å; F219-L458 HydrophobicContact CG-CD2 3.56Å; F219-L458 HydrophobicContact CZ-CD1 3.99Å; I305-L458 HydrophobicContact CD1-CB 3.79Å; I305-L458 HydrophobicContact CD1-CD1 3.94Å; I305-L458 HydrophobicContact CD1-CG 4.31Å; I350-L458 HydrophobicContact CD1-CD1 4.14Å; I350-L458 HydrophobicContact CD1-CD2 4.34Å; I350-L458 HydrophobicContact CD1-CG 4.39Å; V454-L458 HydrophobicContact CG1-CD1 3.88Å; V454-L458 HydrophobicContact CG1-CG 4.35Å; V454-L458 WeakPolarHBondContact O-CB 3.47Å; V454-L458 VanDerWaalsContact O-CG 3.31Å; V454-L458 WeakPolarHBondContact O-CG 3.49Å; V454-L458 PolarHBondContact O-N 3.09Å; F455-L458 CarbonylContact O-C 3.51Å; F455-L458 PolarHBondContact O-N 2.78Å; D456-L458 PolarHBondContact O-N 3.03Å; L458-L460 HydrophobicContact CB-CD1 4.03Å; L458-L460 HydrophobicContact CB-CG 3.95Å; L458-L460 HydrophobicContact CD1-CD1 4.26Å; L458-L460 PolarHBondContact O-N 3.32Å
459	N	94.6	Very high	93.6	Very high	88 Å²	88	55.4 Å²	55.4	47%	0.471	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	45.8	-174	-60.8	-33.3	0	0	0	111.8	K159 F455 D456	K159-N459 PolarHBondContact NZ-O 3.19Å; F455-N459 PolarHBondContact O-N 3.24Å; D456-N459 PolarHBondContact O-N 3.44Å; D456-N459 PolarHBondContact O-OD1 2.91Å
460	L	92.1	Very high	93.5	Very high	18 Å²	18	57.8 Å²	57.8	9%	0.094	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-84.4	147.8	175.4	-70.6	172.2	0	0	0	110.4	D241 V242 I305 F455 L458	D241-L460 HydrophobicContact CB-CD2 4.07Å; V242-L460 HydrophobicContact CG2-CD1 3.62Å; V242-L460 HydrophobicContact CG2-CD2 4.13Å; I305-L460 HydrophobicContact CD1-CD1 4.15Å; I305-L460 HydrophobicContact CD1-CD2 3.61Å; I305-L460 HydrophobicContact CD1-CG 3.99Å; I305-L460 HydrophobicContact CG1-CD2 3.95Å; F455-L460 HydrophobicContact CB-CB 4.16Å; F455-L460 HydrophobicContact CB-CD1 4.5Å; F455-L460 HydrophobicContact CD1-CD1 3.8Å; F455-L460 HydrophobicContact CG-CD1 4.48Å; F455-L460 PolarHBondContact O-N 3.46Å; L458-L460 HydrophobicContact CB-CD1 4.03Å; L458-L460 HydrophobicContact CB-CG 3.95Å; L458-L460 HydrophobicContact CD1-CD1 4.26Å; L458-L460 PolarHBondContact O-N 3.32Å
461	G	85	Confident	93.3	Very high	29 Å²	29	57.7 Å²	57.7	30%	0.299	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-70.4	166.8	177.1	0	0	0	0	0	112.6
462	P	85.2	Confident	93	Very high	137 Å²	137	59.5 Å²	59.5	89%	0.89	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-63.2	143.3	176.6	28.3	-34.9	0	0	0	111.1
463	L	88.6	Confident	92.8	Very high	40 Å²	40	65.8 Å²	65.8	21%	0.209	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-90	152.9	175.5	-71.3	178.6	0	0	0	112	H239 P240 F455 I467 E468 I471	H239-L463 WeakPolarHBondContact NE2-CD2 3.41Å; P240-L463 HydrophobicContact CG-CD2 4.24Å; F455-L463 HydrophobicContact CD2-CD1 4.22Å; F455-L463 HydrophobicContact CE2-CD1 3.51Å; F455-L463 HydrophobicContact CE2-CG 4.49Å; F455-L463 HydrophobicContact CZ-CD1 3.86Å; L463-I467 HydrophobicContact CD1-CG2 4.27Å; L463-I467 HydrophobicContact CD2-CB 4.42Å; L463-I467 HydrophobicContact CD2-CG2 3.83Å; L463-E468 HydrophobicContact CB-CB 4.32Å; L463-E468 HydrophobicContact CD1-CB 4.48Å; L463-I471 HydrophobicContact CD1-CD1 3.64Å
464	S	90.1	Very high	92.5	Very high	51 Å²	51	62.7 Å²	62.7	36%	0.357	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-67.4	152.5	162.7	96.8	0	0	0	0	109.9	E466 I467 E468	S464-E466 VanDerWaalsContact CB-OE2 3.27Å; S464-E466 WeakPolarHBondContact CB-OE2 3.37Å; S464-E466 PolarHBondContact O-N 3.01Å; S464-E466 PolarHBondContact OG-N 3.04Å; S464-E466 PolarHBondContact OG-OE2 3.37Å; S464-I467 PolarHBondContact O-N 3.3Å; S464-I467 PolarHBondContact OG-N 3.4Å; S464-E468 WeakPolarHBondContact O-CB 3.26Å; S464-E468 PolarHBondContact O-N 3.13Å
465	K	92.1	Very high	92.1	Very high	168 Å²	168	68.1 Å²	68.1	73%	0.73	36%	0.36	S	S	*	.	H	α-helix	trans	-59.2	-32	179.6	-69.2	-177.6	179.1	177.6	0	112.1	S469	K465-S469 WeakPolarHBondContact O-CB 3.46Å; K465-S469 PolarHBondContact O-N 2.95Å
466	E	92.7	Very high	91.8	Very high	135 Å²	135	70.3 Å²	70.3	63%	0.631	38%	0.38	S	S	*	.	H	α-helix	trans	-68.8	-48.2	179.9	-58.6	68.6	-145.7	0	0	110.8	S464 S469 Q470	S464-E466 VanDerWaalsContact CB-OE2 3.27Å; S464-E466 WeakPolarHBondContact CB-OE2 3.37Å; S464-E466 PolarHBondContact O-N 3.01Å; S464-E466 PolarHBondContact OG-N 3.04Å; S464-E466 PolarHBondContact OG-OE2 3.37Å; E466-S469 PolarHBondContact O-N 3.28Å; E466-Q470 WeakPolarHBondContact O-CB 3.02Å; E466-Q470 PolarHBondContact O-N 3.22Å
467	I	90.9	Very high	91.5	Very high	49 Å²	49	66.8 Å²	66.8	25%	0.251	36%	0.364	S	S	.	.	H	α-helix	trans	-65.4	-46.6	178.2	-62.6	174.3	0	0	0	109.8	P240 L463 S464 S469 Q470 I471	P240-I467 HydrophobicContact CG-CD1 4.27Å; L463-I467 HydrophobicContact CD1-CG2 4.27Å; L463-I467 HydrophobicContact CD2-CB 4.42Å; L463-I467 HydrophobicContact CD2-CG2 3.83Å; S464-I467 PolarHBondContact O-N 3.3Å; S464-I467 PolarHBondContact OG-N 3.4Å; I467-S469 VanDerWaalsContact C-N 3.3Å; I467-S469 PolarHBondContact O-N 3.45Å; I467-Q470 WeakPolarHBondContact O-CB 2.93Å; I467-Q470 PolarHBondContact O-N 2.88Å; I467-Q470 VanDerWaalsContact O-N 3.08Å; I467-I471 HydrophobicContact CG2-CD1 3.88Å; I467-I471 HydrophobicContact CG2-CG1 4.3Å; I467-I471 VanDerWaalsContact O-CG1 3.29Å; I467-I471 WeakPolarHBondContact O-CG1 3.45Å; I467-I471 PolarHBondContact O-N 2.97Å
468	E	93.3	Very high	90.9	Very high	32 Å²	32	69.9 Å²	69.9	15%	0.15	38%	0.382	C	S	.	.	H	α-helix	trans	-57	-44.6	176.5	-172.5	-172.4	-159	0	0	111.6	K448 H452 L463 S464 Q470 I471 T472	K448-E468 VanDerWaalsContact CE-CD 3.46Å; K448-E468 WeakPolarHBondContact CE-OE1 3.34Å; K448-E468 IonicContact NZ-OE1 2.68Å; K448-E468 IonicContact NZ-OE2 3.07Å; H452-E468 IonicContact CE1-OE1 3.92Å; H452-E468 PolarHBondContact CE1-OE1 2.94Å; H452-E468 IonicContact NE2-OE1 3.8Å; H452-E468 PolarHBondContact NE2-OE1 2.99Å; L463-E468 HydrophobicContact CB-CB 4.32Å; L463-E468 HydrophobicContact CD1-CB 4.48Å; S464-E468 WeakPolarHBondContact O-CB 3.26Å; S464-E468 PolarHBondContact O-N 3.13Å; E468-Q470 PolarHBondContact O-N 3.15Å; E468-I471 PolarHBondContact O-N 3.34Å; E468-T472 WeakPolarHBondContact O-CB 3.5Å; E468-T472 WeakPolarHBondContact O-CG2 3.37Å; E468-T472 PolarHBondContact O-N 3.24Å; E468-T472 PolarHBondContact O-OG1 3.48Å
469	S	92.9	Very high	90.5	Very high	32 Å²	32	74 Å²	74	22%	0.224	41%	0.407	C	S	.	.	H	α-helix	trans	-63.7	-38.5	175.1	179.4	0	0	0	0	112.3	K465 E466 I467 T472 R473	K465-S469 WeakPolarHBondContact O-CB 3.46Å; K465-S469 PolarHBondContact O-N 2.95Å; E466-S469 PolarHBondContact O-N 3.28Å; I467-S469 VanDerWaalsContact C-N 3.3Å; I467-S469 PolarHBondContact O-N 3.45Å; S469-T472 WeakPolarHBondContact CA-OG1 3.42Å; S469-T472 PolarHBondContact O-OG1 3.47Å; S469-R473 VanDerWaalsContact O-CB 3.22Å; S469-R473 WeakPolarHBondContact O-CB 3.49Å; S469-R473 VanDerWaalsContact O-CG 3.26Å; S469-R473 WeakPolarHBondContact O-CG 3.4Å; S469-R473 PolarHBondContact O-N 3.18Å; S469-R473 WeakPolarHBondContact OG-CD 3.24Å; S469-R473 VanDerWaalsContact OG-CZ 3.24Å; S469-R473 PolarHBondContact OG-NE 3.03Å; S469-R473 PolarHBondContact OG-NH1 2.99Å
470	Q	93.4	Very high	90	Very high	116 Å²	116	73.3 Å²	73.3	54%	0.542	40%	0.398	S	S	.	.	H	α-helix	trans	-64.8	-44.2	176.5	-177.7	-178.8	-6.3	0	0	111.2	E466 I467 E468 S474	E466-Q470 WeakPolarHBondContact O-CB 3.02Å; E466-Q470 PolarHBondContact O-N 3.22Å; I467-Q470 WeakPolarHBondContact O-CB 2.93Å; I467-Q470 PolarHBondContact O-N 2.88Å; I467-Q470 VanDerWaalsContact O-N 3.08Å; E468-Q470 PolarHBondContact O-N 3.15Å; Q470-S474 PolarHBondContact O-N 3Å
471	I	92	Very high	89.7	Confident	1 Å²	1	78 Å²	78	1%	0.005	42%	0.415	C	S	.	.	H	α-helix	trans	-62.9	-51	178.7	-64.3	173	0	0	0	110.1	R235 L238 H239 L451 F455 L463 I467 E468 S474	R235-I471 HydrophobicContact CB-CG2 3.86Å; R235-I471 HydrophobicContact CG-CG2 4.32Å; R235-I471 PolarHBondContact NH1-O 2.8Å; L238-I471 HydrophobicContact CB-CG1 3.8Å; H239-I471 HydrophobicContact CB-CD1 4.41Å; L451-I471 HydrophobicContact CD1-CG2 3.62Å; F455-I471 HydrophobicContact CZ-CD1 4.2Å; L463-I471 HydrophobicContact CD1-CD1 3.64Å; I467-I471 HydrophobicContact CG2-CD1 3.88Å; I467-I471 HydrophobicContact CG2-CG1 4.3Å; I467-I471 VanDerWaalsContact O-CG1 3.29Å; I467-I471 WeakPolarHBondContact O-CG1 3.45Å; I467-I471 PolarHBondContact O-N 2.97Å; E468-I471 PolarHBondContact O-N 3.34Å; I471-S474 PolarHBondContact O-N 3.17Å; I471-S474 PolarHBondContact O-OG 3.36Å
472	T	90.9	Very high	89.7	Confident	40 Å²	40	81.4 Å²	81.4	25%	0.245	43%	0.431	C	S	.	.	H	α-helix	trans	-70.2	-37.4	-175	49.5	0	0	0	0	113.2	R235 K448 L451 E468 S469 S474	R235-T472 PolarHBondContact NH1-O 3.43Å; K448-T472 HydrophobicContact CB-CG2 4.41Å; L451-T472 HydrophobicContact CD1-CG2 4.03Å; E468-T472 WeakPolarHBondContact O-CB 3.5Å; E468-T472 WeakPolarHBondContact O-CG2 3.37Å; E468-T472 PolarHBondContact O-N 3.24Å; E468-T472 PolarHBondContact O-OG1 3.48Å; S469-T472 WeakPolarHBondContact CA-OG1 3.42Å; S469-T472 PolarHBondContact O-OG1 3.47Å; T472-S474 VanDerWaalsContact C-N 3.3Å; T472-S474 PolarHBondContact O-N 3.01Å
473	R	91.2	Very high	89.6	Confident	205 Å²	205	78.2 Å²	78.2	77%	0.774	42%	0.417	S	S	*	.	H	α-helix	trans	-81.4	-6.2	178.8	-64.4	179.3	-177.4	169.4	2.8	114.1	S469	S469-R473 VanDerWaalsContact O-CB 3.22Å; S469-R473 WeakPolarHBondContact O-CB 3.49Å; S469-R473 VanDerWaalsContact O-CG 3.26Å; S469-R473 WeakPolarHBondContact O-CG 3.4Å; S469-R473 PolarHBondContact O-N 3.18Å; S469-R473 WeakPolarHBondContact OG-CD 3.24Å; S469-R473 VanDerWaalsContact OG-CZ 3.24Å; S469-R473 PolarHBondContact OG-NE 3.03Å; S469-R473 PolarHBondContact OG-NH1 2.99Å
474	S	90.4	Very high	89.4	Confident	26 Å²	26	77 Å²	77	18%	0.182	41%	0.41	C	S	.	.	S	Bend	trans	-60.6	139.7	176.9	65.7	0	0	0	0	110.7	R235 Q470 I471 T472	R235-S474 PolarHBondContact NH1-O 2.72Å; R235-S474 VanDerWaalsContact NH1-O 3.12Å; R235-S474 PolarHBondContact NH1-OG 3.07Å; R235-S474 PolarHBondContact NH2-O 3.02Å; Q470-S474 PolarHBondContact O-N 3Å; I471-S474 PolarHBondContact O-N 3.17Å; I471-S474 PolarHBondContact O-OG 3.36Å; T472-S474 VanDerWaalsContact C-N 3.3Å; T472-S474 PolarHBondContact O-N 3.01Å
475	P	90.5	Very high	89.2	Confident	113 Å²	113	80.5 Å²	80.5	73%	0.734	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-65	145.9	-175.7	27	-34.7	0	0	0	110.7	S477	P475-S477 PolarHBondContact O-N 3.32Å
476	A	89.9	Confident	88.9	Confident	59 Å²	59	79.2 Å²	79.2	49%	0.488	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-62.9	129.8	-179.9	0	0	0	0	0	111.8	D231 T479	D231-A476 VanDerWaalsContact OD1-CA 3.28Å; D231-A476 WeakPolarHBondContact OD1-CA 3.31Å; A476-T479 HydrophobicContact CB-CG2 3.76Å
477	S	90.2	Very high	88.6	Confident	38 Å²	38	75.2 Å²	75.2	27%	0.266	40%	0.403	S	S	.	.	S	Bend	trans	-86.2	152.1	-179.9	-74.8	0	0	0	0	113.1	D231 D234 P475 T479	D231-S477 PolarHBondContact OD1-N 3.47Å; D234-S477 WeakPolarHBondContact OD2-CB 3.41Å; D234-S477 PolarHBondContact OD2-OG 2.53Å; P475-S477 PolarHBondContact O-N 3.32Å; S477-T479 PolarHBondContact O-N 3.09Å
478	N	86.9	Confident	88.6	Confident	91 Å²	91	74 Å²	74	49%	0.487	40%	0.403	S	S	.	.	S	Bend	trans	54.8	37.3	171.3	-160.7	13.5	0	0	0	114	T230	T230-N478 HydrophobicContact CG2-CB 4.01Å; T230-N478 PolarHBondContact OG1-ND2 2.8Å
479	T	87	Confident	88.7	Confident	85 Å²	85	77.7 Å²	77.7	52%	0.521	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-71.6	160.3	176.1	60.3	0	0	0	0	111.5	A476 S477 R481	A476-T479 HydrophobicContact CB-CG2 3.76Å; S477-T479 PolarHBondContact O-N 3.09Å; T479-R481 PolarHBondContact O-N 2.71Å
480	R	85	Confident	88.8	Confident	74 Å²	74	76.6 Å²	76.6	28%	0.279	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-55.4	137.9	179.7	-70.8	-176.3	-178.1	164.7	2	110.5	E358 K485	E358-R480 IonicContact OE2-NH2 2.88Å; E358-R480 PolarHBondContact OE2-NH2 3.4Å; E358-R480 VanDerWaalsContact OE2-NH2 3.11Å; R480-K485 HydrophobicContact CB-CG 3.94Å; R480-K485 VanDerWaalsContact O-CE 3.28Å; R480-K485 WeakPolarHBondContact O-CE 3.44Å
481	R	86.5	Confident	89	Confident	118 Å²	118	73.4 Å²	73.4	45%	0.445	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-63.1	151.4	175	-64.5	173.4	-74.6	-152.7	-12.2	109.9	L365 Y366 T479 A483 D484 K485	L365-R481 PolarHBondContact O-NH2 3.17Å; Y366-R481 PolarHBondContact O-NH2 3.15Å; T479-R481 PolarHBondContact O-N 2.71Å; R481-A483 VanDerWaalsContact C-N 3.3Å; R481-A483 PolarHBondContact O-N 3.06Å; R481-D484 WeakPolarHBondContact CB-OD2 3.27Å; R481-D484 IonicContact CZ-OD2 3.21Å; R481-D484 IonicContact NE-OD2 3.88Å; R481-D484 PolarHBondContact NE-OD2 3.25Å; R481-D484 IonicContact NH2-OD1 3.6Å; R481-D484 IonicContact NH2-OD2 2.78Å; R481-D484 PolarHBondContact NH2-OD2 3.46Å; R481-D484 PolarHBondContact O-N 3.5Å; R481-K485 PolarHBondContact O-N 3.2Å
482	P	84.8	Confident	89.1	Confident	99 Å²	99	78.6 Å²	78.6	64%	0.643	44%	0.441	S	S	*	.	H	α-helix	trans	-53.4	-43.5	178.7	-28.3	35.7	0	0	0	113.8	D484 K485 N486	P482-D484 VanDerWaalsContact C-N 3.33Å; P482-D484 PolarHBondContact O-N 2.87Å; P482-K485 WeakPolarHBondContact O-CB 3.08Å; P482-K485 PolarHBondContact O-N 3.14Å; P482-K485 VanDerWaalsContact O-N 3.09Å; P482-N486 PolarHBondContact O-N 3.42Å; P482-N486 PolarHBondContact O-OD1 3.44Å
483	A	82.3	Confident	89.3	Confident	71 Å²	71	79.3 Å²	79.3	59%	0.587	44%	0.443	S	S	*	.	H	α-helix	trans	-59.7	-41	176.6	0	0	0	0	0	112.8	R481 K485 N486 L487	R481-A483 VanDerWaalsContact C-N 3.3Å; R481-A483 PolarHBondContact O-N 3.06Å; A483-K485 VanDerWaalsContact C-N 3.29Å; A483-K485 PolarHBondContact O-N 3.37Å; A483-N486 PolarHBondContact O-N 3.06Å; A483-L487 PolarHBondContact O-N 2.77Å
484	D	85	Confident	89.5	Confident	15 Å²	15	69.5 Å²	69.5	8%	0.08	41%	0.406	C	S	.	.	H	α-helix	trans	-71	-25.5	177.7	-58.9	-39.3	0	0	0	111.8	L365 K372 R481 P482	L365-D484 HydrophobicContact CB-CB 4.27Å; L365-D484 HydrophobicContact CD1-CB 4.48Å; L365-D484 HydrophobicContact CD2-CB 4.47Å; K372-D484 IonicContact NZ-OD1 3.16Å; K372-D484 PolarHBondContact NZ-OD1 3.17Å; R481-D484 WeakPolarHBondContact CB-OD2 3.27Å; R481-D484 IonicContact CZ-OD2 3.21Å; R481-D484 IonicContact NE-OD2 3.88Å; R481-D484 PolarHBondContact NE-OD2 3.25Å; R481-D484 IonicContact NH2-OD1 3.6Å; R481-D484 IonicContact NH2-OD2 2.78Å; R481-D484 PolarHBondContact NH2-OD2 3.46Å; R481-D484 PolarHBondContact O-N 3.5Å; P482-D484 VanDerWaalsContact C-N 3.33Å; P482-D484 PolarHBondContact O-N 2.87Å
485	K	84.7	Confident	89.9	Confident	123 Å²	123	72 Å²	72	54%	0.535	41%	0.413	S	S	.	.	H	α-helix	trans	-72.3	-39.5	173.1	-68	-179.1	-179.8	179.5	0	111.5	R480 R481 P482 A483 L487 G488	R480-K485 HydrophobicContact CB-CG 3.94Å; R480-K485 VanDerWaalsContact O-CE 3.28Å; R480-K485 WeakPolarHBondContact O-CE 3.44Å; R481-K485 PolarHBondContact O-N 3.2Å; P482-K485 WeakPolarHBondContact O-CB 3.08Å; P482-K485 PolarHBondContact O-N 3.14Å; P482-K485 VanDerWaalsContact O-N 3.09Å; A483-K485 VanDerWaalsContact C-N 3.29Å; A483-K485 PolarHBondContact O-N 3.37Å; K485-L487 PolarHBondContact O-N 2.74Å; K485-G488 PolarHBondContact O-N 3.42Å
486	N	86.3	Confident	90.1	Very high	142 Å²	142	70.5 Å²	70.5	76%	0.759	40%	0.397	S	S	*	.	H	α-helix	trans	-68.2	-22.7	-178.8	-66.8	-10.3	0	0	0	113.2	P482 A483 G488	P482-N486 PolarHBondContact O-N 3.42Å; P482-N486 PolarHBondContact O-OD1 3.44Å; A483-N486 PolarHBondContact O-N 3.06Å; N486-G488 PolarHBondContact O-N 3.35Å
487	L	87.6	Confident	90.5	Very high	50 Å²	50	67.9 Å²	67.9	26%	0.262	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-26.9	174.7	-164.3	152	0	0	0	112.1	Y361 L365 K372 A483 K485	Y361-L487 WeakPolarHBondContact OH-CD2 3.31Å; L365-L487 HydrophobicContact CD2-CD1 4.07Å; L365-L487 HydrophobicContact CD2-CD2 4.37Å; K372-L487 HydrophobicContact CB-CD1 3.46Å; K372-L487 VanDerWaalsContact CB-CD1 3.46Å; K372-L487 VanDerWaalsContact O-CD1 3.29Å; K372-L487 WeakPolarHBondContact O-CD1 3.43Å; A483-L487 PolarHBondContact O-N 2.77Å; K485-L487 PolarHBondContact O-N 2.74Å
488	G	90.9	Very high	90.8	Very high	25 Å²	25	66 Å²	66	26%	0.258	36%	0.362	S	S	.	.			trans	81.6	-167.6	177.4	0	0	0	0	0	114.1	Y361 K485 N486	Y361-G488 WeakPolarHBondContact CE1-O 3.46Å; Y361-G488 PolarHBondContact OH-O 3.12Å; K485-G488 PolarHBondContact O-N 3.42Å; N486-G488 PolarHBondContact O-N 3.35Å
489	P	94.4	Very high	91.3	Very high	108 Å²	108	64.8 Å²	64.8	70%	0.701	35%	0.353	S	S	*	.	S	Bend	trans	-70.6	160.7	180	31.2	-35	0	0	0	111.9
490	M	95.8	Very high	91.8	Very high	10 Å²	10	63.4 Å²	63.4	5%	0.049	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-64.6	163.3	168	71.7	-169.9	84.9	0	0	110.8	V357 Y361 F377 K495 L498	V357-M490 HydrophobicContact CG1-CE 3.83Å; V357-M490 HydrophobicContact CG1-SD 3.8Å; Y361-M490 HydrophobicContact CD1-CB 4.36Å; Y361-M490 HydrophobicContact CD1-CE 3.8Å; Y361-M490 HydrophobicContact CD2-CB 4Å; Y361-M490 HydrophobicContact CD2-CE 4.47Å; Y361-M490 HydrophobicContact CE1-CB 4.27Å; Y361-M490 HydrophobicContact CE2-CB 3.91Å; Y361-M490 HydrophobicContact CG-CB 4.22Å; Y361-M490 HydrophobicContact CG-CE 3.65Å; F377-M490 HydrophobicContact CD1-CB 3.87Å; F377-M490 HydrophobicContact CE1-CB 4.02Å; F377-M490 HydrophobicContact CE1-SD 3.87Å; M490-K495 HydrophobicContact CG-CB 4.15Å; M490-K495 HydrophobicContact SD-CB 4.02Å; M490-L498 HydrophobicContact SD-CD1 4.29Å
491	L	96.1	Very high	92.4	Very high	48 Å²	48	60 Å²	60	25%	0.251	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-57.6	138.7	175	-58.3	178.9	0	0	0	110.6	A374 H378 I493 T494 K495	A374-L491 HydrophobicContact CB-CD2 3.79Å; A374-L491 HydrophobicContact CB-CG 3.86Å; H378-L491 HydrophobicContact CB-CD1 4.01Å; L491-I493 HydrophobicContact CB-CG2 3.94Å; L491-I493 HydrophobicContact CD1-CG2 4.39Å; L491-I493 PolarHBondContact O-N 3.38Å; L491-I493 VanDerWaalsContact O-N 3.14Å; L491-T494 WeakPolarHBondContact O-CB 3.43Å; L491-T494 PolarHBondContact O-N 3.49Å; L491-K495 PolarHBondContact O-N 3.31Å; L491-K495 VanDerWaalsContact O-N 3.09Å
492	P	95.8	Very high	93	Very high	111 Å²	111	54.3 Å²	54.3	72%	0.721	31%	0.308	S	S	*	.	H	α-helix	trans	-53.7	-36.6	178.1	-27.5	34.8	0	0	0	112.9	K495 E496	P492-K495 WeakPolarHBondContact O-CB 3.32Å; P492-K495 PolarHBondContact O-N 3.4Å; P492-E496 PolarHBondContact O-N 3.41Å
493	I	94.6	Very high	93.6	Very high	54 Å²	54	54.2 Å²	54.2	28%	0.277	30%	0.298	S	S	.	.	H	α-helix	trans	-65	-41.3	178.7	-158.4	65.7	0	0	0	112.6	Y111 L491 K495 E496 I497	Y111-I493 HydrophobicContact CD2-CD1 3.6Å; Y111-I493 HydrophobicContact CD2-CG1 3.41Å; Y111-I493 VanDerWaalsContact CD2-CG1 3.41Å; Y111-I493 HydrophobicContact CE1-CD1 4.02Å; Y111-I493 HydrophobicContact CE2-CD1 3Å; Y111-I493 HydrophobicContact CE2-CG1 3.25Å; Y111-I493 HydrophobicContact CG-CD1 4.28Å; Y111-I493 HydrophobicContact CG-CG1 4.28Å; Y111-I493 VanDerWaalsContact OH-CD1 3.22Å; Y111-I493 WeakPolarHBondContact OH-CD1 3.32Å; L491-I493 HydrophobicContact CB-CG2 3.94Å; L491-I493 HydrophobicContact CD1-CG2 4.39Å; L491-I493 PolarHBondContact O-N 3.38Å; L491-I493 VanDerWaalsContact O-N 3.14Å; I493-K495 VanDerWaalsContact C-N 3.3Å; I493-K495 PolarHBondContact O-N 2.86Å; I493-E496 PolarHBondContact O-N 2.73Å; I493-I497 HydrophobicContact CG1-CD1 4.49Å; I493-I497 WeakPolarHBondContact O-CD1 3.35Å; I493-I497 VanDerWaalsContact O-CG1 3.31Å; I493-I497 WeakPolarHBondContact O-CG1 3.14Å; I493-I497 PolarHBondContact O-N 2.98Å
494	T	95.8	Very high	94.3	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-64.1	-40	174.8	-49.8	0	0	0	0	110.5	F377 H378 V381 L491 I497 L498	F377-T494 HydrophobicContact CD1-CG2 3.85Å; F377-T494 HydrophobicContact CE1-CG2 3.71Å; H378-T494 WeakPolarHBondContact CB-OG1 3.37Å; H378-T494 PolarHBondContact ND1-OG1 2.99Å; V381-T494 HydrophobicContact CB-CG2 4.28Å; V381-T494 HydrophobicContact CG1-CG2 4.31Å; V381-T494 HydrophobicContact CG2-CG2 4.07Å; L491-T494 WeakPolarHBondContact O-CB 3.43Å; L491-T494 PolarHBondContact O-N 3.49Å; T494-I497 PolarHBondContact O-N 3.35Å; T494-L498 HydrophobicContact CG2-CD1 4Å; T494-L498 HydrophobicContact CG2-CG 4.48Å; T494-L498 WeakPolarHBondContact O-CB 3.2Å; T494-L498 WeakPolarHBondContact O-CG 3.29Å; T494-L498 PolarHBondContact O-N 3.06Å
495	K	97.1	Very high	94.9	Very high	77 Å²	77	51.4 Å²	51.4	34%	0.335	27%	0.274	S	S	.	.	H	α-helix	trans	-60.9	-47.9	176.3	-174.2	177.4	179.4	178.4	0	111.2	V357 M490 L491 P492 I493 L498 Q499	V357-K495 HydrophobicContact CG1-CG 4.2Å; M490-K495 HydrophobicContact CG-CB 4.15Å; M490-K495 HydrophobicContact SD-CB 4.02Å; L491-K495 PolarHBondContact O-N 3.31Å; L491-K495 VanDerWaalsContact O-N 3.09Å; P492-K495 WeakPolarHBondContact O-CB 3.32Å; P492-K495 PolarHBondContact O-N 3.4Å; I493-K495 VanDerWaalsContact C-N 3.3Å; I493-K495 PolarHBondContact O-N 2.86Å; K495-L498 PolarHBondContact O-N 3.38Å; K495-Q499 HydrophobicContact CG-CG 4.37Å; K495-Q499 WeakPolarHBondContact O-CB 3.46Å; K495-Q499 VanDerWaalsContact O-CG 3.24Å; K495-Q499 WeakPolarHBondContact O-CG 3.23Å; K495-Q499 PolarHBondContact O-N 2.56Å
496	E	96.1	Very high	95.5	Very high	82 Å²	82	46 Å²	46	38%	0.383	25%	0.251	S	S	.	.	H	α-helix	trans	-59.6	-47	177.8	-171.5	-164.2	162	0	0	112	Y111 K115 P492 I493 L498 Q499 D500	Y111-E496 VanDerWaalsContact OH-CD 3.27Å; Y111-E496 PolarHBondContact OH-OE1 3.2Å; Y111-E496 PolarHBondContact OH-OE2 3.1Å; K115-E496 WeakPolarHBondContact CE-OE1 3.3Å; K115-E496 IonicContact NZ-OE1 3.67Å; K115-E496 PolarHBondContact NZ-OE1 2.93Å; P492-E496 PolarHBondContact O-N 3.41Å; I493-E496 PolarHBondContact O-N 2.73Å; E496-L498 PolarHBondContact O-N 3.24Å; E496-Q499 PolarHBondContact O-N 3.45Å; E496-D500 PolarHBondContact O-N 2.91Å
497	I	97.1	Very high	96.1	Very high	4 Å²	4	42 Å²	42	2%	0.021	23%	0.228	C	C	.	.	H	α-helix	trans	-57.5	-49	177.8	-71.8	163	0	0	0	110.9	Y111 I114 V118 L385 I493 T494 D500 F501	Y111-I497 HydrophobicContact CD2-CD1 3.96Å; Y111-I497 HydrophobicContact CD2-CG1 4.44Å; Y111-I497 HydrophobicContact CE2-CD1 4Å; Y111-I497 HydrophobicContact CE2-CG1 4.01Å; I114-I497 HydrophobicContact CB-CD1 4.46Å; I114-I497 HydrophobicContact CG2-CD1 3.86Å; I114-I497 HydrophobicContact CG2-CG1 4.26Å; I114-I497 HydrophobicContact CG2-CG2 3.79Å; V118-I497 HydrophobicContact CG2-CG2 4Å; L385-I497 HydrophobicContact CD1-CG2 3.56Å; I493-I497 HydrophobicContact CG1-CD1 4.49Å; I493-I497 WeakPolarHBondContact O-CD1 3.35Å; I493-I497 VanDerWaalsContact O-CG1 3.31Å; I493-I497 WeakPolarHBondContact O-CG1 3.14Å; I493-I497 PolarHBondContact O-N 2.98Å; T494-I497 PolarHBondContact O-N 3.35Å; I497-D500 PolarHBondContact O-N 3.25Å; I497-F501 WeakPolarHBondContact O-CB 3.48Å; I497-F501 PolarHBondContact O-N 3.29Å
498	L	97.8	Very high	96.6	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-69.1	-36.6	-178.8	-71.6	172.4	0	0	0	112	V357 L360 F377 V381 L414 M490 T494 K495 E496 D500 F501 Y502	V357-L498 HydrophobicContact CB-CB 4.34Å; V357-L498 HydrophobicContact CG1-CB 3.84Å; V357-L498 HydrophobicContact CG1-CD1 3.98Å; V357-L498 HydrophobicContact CG2-CB 3.86Å; L360-L498 HydrophobicContact CD2-CD1 3.9Å; L360-L498 HydrophobicContact CD2-CD2 3.68Å; L360-L498 HydrophobicContact CD2-CG 4.47Å; F377-L498 HydrophobicContact CE1-CD1 4.05Å; F377-L498 HydrophobicContact CZ-CD1 4.03Å; V381-L498 HydrophobicContact CG1-CD1 4.45Å; V381-L498 HydrophobicContact CG1-CD2 3.66Å; V381-L498 HydrophobicContact CG1-CG 4Å; V381-L498 HydrophobicContact CG2-CD1 4.17Å; V381-L498 HydrophobicContact CG2-CD2 4.34Å; L414-L498 HydrophobicContact CD2-CD2 3.83Å; M490-L498 HydrophobicContact SD-CD1 4.29Å; T494-L498 HydrophobicContact CG2-CD1 4Å; T494-L498 HydrophobicContact CG2-CG 4.48Å; T494-L498 WeakPolarHBondContact O-CB 3.2Å; T494-L498 WeakPolarHBondContact O-CG 3.29Å; T494-L498 PolarHBondContact O-N 3.06Å; K495-L498 PolarHBondContact O-N 3.38Å; E496-L498 PolarHBondContact O-N 3.24Å; L498-D500 VanDerWaalsContact C-N 3.35Å; L498-F501 PolarHBondContact O-N 2.97Å; L498-Y502 HydrophobicContact CB-CD2 4.43Å; L498-Y502 HydrophobicContact CD2-CE2 4.23Å; L498-Y502 WeakPolarHBondContact O-CB 3.35Å; L498-Y502 VanDerWaalsContact O-CD2 3.22Å; L498-Y502 WeakPolarHBondContact O-CD2 3.25Å; L498-Y502 PolarHBondContact O-N 2.88Å
499	Q	97.6	Very high	96.9	Very high	65 Å²	65	41.1 Å²	41.1	30%	0.304	21%	0.214	S	C	.	.	H	α-helix	trans	-60.5	-45.6	173	-77.4	177	-38	0	0	110.7	V357 K495 E496 Y502 K503	V357-Q499 HydrophobicContact CG2-CG 3.94Å; K495-Q499 HydrophobicContact CG-CG 4.37Å; K495-Q499 WeakPolarHBondContact O-CB 3.46Å; K495-Q499 VanDerWaalsContact O-CG 3.24Å; K495-Q499 WeakPolarHBondContact O-CG 3.23Å; K495-Q499 PolarHBondContact O-N 2.56Å; E496-Q499 PolarHBondContact O-N 3.45Å; Q499-Y502 PolarHBondContact O-N 3.08Å; Q499-K503 WeakPolarHBondContact O-CB 3.28Å; Q499-K503 PolarHBondContact O-N 3.4Å
500	D	96.5	Very high	97.1	Very high	56 Å²	56	36 Å²	36	30%	0.299	18%	0.181	S	C	.	.	H	α-helix	trans	-66.6	-39.3	178.3	-163.4	46.2	0	0	0	112.3	V118 K122 E496 I497 L498	V118-D500 HydrophobicContact CG1-CB 4.13Å; V118-D500 WeakPolarHBondContact CG1-OD2 3.3Å; K122-D500 WeakPolarHBondContact CD-O 3.47Å; K122-D500 IonicContact NZ-OD1 3.69Å; K122-D500 PolarHBondContact NZ-OD1 3.37Å; K122-D500 IonicContact NZ-OD2 3.93Å; K122-D500 PolarHBondContact NZ-OD2 3.36Å; E496-D500 PolarHBondContact O-N 2.91Å; I497-D500 PolarHBondContact O-N 3.25Å; L498-D500 VanDerWaalsContact C-N 3.35Å
501	F	97.8	Very high	97.1	Very high	1 Å²	1	41.9 Å²	41.9	0%	0.004	21%	0.206	C	C	.	.	H	α-helix	trans	-61.7	-48	174.7	169.2	-105.5	0	0	0	112.7	V118 I121 L385 F388 L414 L418 I497 L498 P504 F505	V118-F501 HydrophobicContact CG1-CB 4.13Å; V118-F501 HydrophobicContact CG2-CB 4.32Å; I121-F501 HydrophobicContact CD1-CD2 4.25Å; I121-F501 HydrophobicContact CD1-CE2 4.18Å; I121-F501 HydrophobicContact CG2-CD2 4.13Å; I121-F501 HydrophobicContact CG2-CE2 3.92Å; L385-F501 HydrophobicContact CD2-CB 4.3Å; L385-F501 HydrophobicContact CD2-CD1 4.32Å; L385-F501 HydrophobicContact CD2-CD2 3.48Å; L385-F501 VanDerWaalsContact CD2-CD2 3.48Å; L385-F501 HydrophobicContact CD2-CE2 3.79Å; L385-F501 HydrophobicContact CD2-CG 3.77Å; L385-F501 HydrophobicContact CD2-CZ 4.34Å; F388-F501 AromaticContact CD1-CE2 3.97Å; F388-F501 HydrophobicContact CD1-CE2 3.97Å; F388-F501 HydrophobicContact CD1-CZ 4.25Å; F388-F501 HydrophobicContact CE1-CE2 4.1Å; F388-F501 HydrophobicContact CE1-CZ 4.26Å; L414-F501 HydrophobicContact CB-CE1 4.33Å; L414-F501 HydrophobicContact CB-CZ 4.43Å; L414-F501 HydrophobicContact CD2-CE1 4.12Å; L418-F501 HydrophobicContact CD2-CE1 3.97Å; L418-F501 HydrophobicContact CD2-CZ 3.98Å; I497-F501 WeakPolarHBondContact O-CB 3.48Å; I497-F501 PolarHBondContact O-N 3.29Å; L498-F501 PolarHBondContact O-N 2.97Å; F501-P504 WeakPolarHBondContact O-CD 3.41Å; F501-F505 HydrophobicContact CE2-CE2 4.45Å; F501-F505 WeakPolarHBondContact O-CD2 3.47Å; F501-F505 WeakPolarHBondContact O-CE2 3.46Å
502	Y	98.3	Very high	97.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-78.5	-19.5	-177.4	-75.8	-60.7	0	0	0	113.7	P356 V357 L414 L418 L498 Q499 F505 N506	P356-Y502 HydrophobicContact CB-CD1 3.92Å; P356-Y502 HydrophobicContact CB-CD2 3.92Å; P356-Y502 HydrophobicContact CB-CE1 4.01Å; P356-Y502 HydrophobicContact CB-CE2 3.98Å; P356-Y502 HydrophobicContact CB-CG 3.9Å; P356-Y502 HydrophobicContact CG-CD1 4.08Å; P356-Y502 HydrophobicContact CG-CD2 3.95Å; P356-Y502 HydrophobicContact CG-CG 3.71Å; V357-Y502 HydrophobicContact CG2-CD2 3.93Å; L414-Y502 PolarHBondContact O-OH 3.33Å; L418-Y502 HydrophobicContact CD2-CD1 3.8Å; L418-Y502 HydrophobicContact CD2-CE1 3.64Å; L418-Y502 HydrophobicContact CG-CE1 4.38Å; L498-Y502 HydrophobicContact CB-CD2 4.43Å; L498-Y502 HydrophobicContact CD2-CE2 4.23Å; L498-Y502 WeakPolarHBondContact O-CB 3.35Å; L498-Y502 VanDerWaalsContact O-CD2 3.22Å; L498-Y502 WeakPolarHBondContact O-CD2 3.25Å; L498-Y502 PolarHBondContact O-N 2.88Å; Q499-Y502 PolarHBondContact O-N 3.08Å; Y502-F505 WeakPolarHBondContact O-CB 3.48Å; Y502-F505 PolarHBondContact O-N 2.85Å; Y502-N506 PolarHBondContact O-N 3.32Å
503	K	97.4	Very high	97.2	Very high	97 Å²	97	36.3 Å²	36.3	42%	0.422	17%	0.171	S	C	.	.	H	α-helix	trans	-46	-55.8	-176.8	-176.1	170.4	-179.5	172.6	0	115	Q499 F505 N506 E507	Q499-K503 WeakPolarHBondContact O-CB 3.28Å; Q499-K503 PolarHBondContact O-N 3.4Å; K503-F505 PolarHBondContact O-N 3.37Å; K503-N506 PolarHBondContact O-N 2.84Å; K503-E507 WeakPolarHBondContact CE-OE1 3.26Å; K503-E507 HydrophobicContact CG-CG 4.38Å; K503-E507 WeakPolarHBondContact CG-OE1 3.33Å; K503-E507 WeakPolarHBondContact O-CG 3.26Å; K503-E507 PolarHBondContact O-N 3.39Å
504	P	97.3	Very high	97.3	Very high	24 Å²	24	41.4 Å²	41.4	16%	0.156	19%	0.194	C	C	.	.	H	α-helix	trans	-62.8	-31.7	-178.7	26.4	-37.2	0	0	0	113.1	K122 V125 F501 K508	K122-P504 HydrophobicContact CG-CG 4.16Å; V125-P504 HydrophobicContact CG1-CB 4.32Å; V125-P504 HydrophobicContact CG2-CG 4.37Å; F501-P504 WeakPolarHBondContact O-CD 3.41Å; P504-K508 WeakPolarHBondContact O-CB 3.37Å; P504-K508 PolarHBondContact O-N 3.35Å; P504-K508 VanDerWaalsContact O-N 3.14Å
505	F	97.8	Very high	97.3	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.009	22%	0.218	C	C	.	.	H	α-helix	trans	-72.1	-41.4	177.1	-56.3	-83.2	0	0	0	111.5	V125 F127 M397 L418 V420 V421 F501 Y502 K503 K508 L509	V125-F505 HydrophobicContact CG1-CD1 4.43Å; V125-F505 HydrophobicContact CG1-CE1 3.9Å; V125-F505 HydrophobicContact CG1-CZ 4.03Å; V125-F505 HydrophobicContact CG2-CE1 4.26Å; V125-F505 HydrophobicContact CG2-CE2 4.01Å; V125-F505 HydrophobicContact CG2-CZ 3.57Å; F127-F505 AromaticContact CE1-CD1 3.84Å; F127-F505 HydrophobicContact CE1-CD1 3.84Å; F127-F505 HydrophobicContact CE1-CE1 4.26Å; F127-F505 AromaticContact CZ-CD1 3.73Å; F127-F505 HydrophobicContact CZ-CD1 3.73Å; F127-F505 HydrophobicContact CZ-CE1 4.24Å; F127-F505 HydrophobicContact CZ-CG 4.41Å; M397-F505 HydrophobicContact CG-CE1 4.22Å; M397-F505 HydrophobicContact SD-CE1 4.19Å; L418-F505 HydrophobicContact CB-CD1 4.43Å; L418-F505 HydrophobicContact CD1-CE1 4.35Å; L418-F505 HydrophobicContact CD1-CZ 4.37Å; L418-F505 HydrophobicContact CD2-CB 4.43Å; L418-F505 HydrophobicContact CD2-CD1 3.85Å; L418-F505 HydrophobicContact CD2-CD2 3.56Å; L418-F505 HydrophobicContact CD2-CE1 3.89Å; L418-F505 HydrophobicContact CD2-CE2 3.6Å; L418-F505 HydrophobicContact CD2-CG 3.68Å; L418-F505 HydrophobicContact CD2-CZ 3.77Å; V420-F505 HydrophobicContact CG1-CB 4.12Å; V420-F505 HydrophobicContact CG1-CD1 4.22Å; V421-F505 HydrophobicContact CG2-CD1 4.33Å; V421-F505 HydrophobicContact CG2-CE1 4.41Å; F501-F505 HydrophobicContact CE2-CE2 4.45Å; F501-F505 WeakPolarHBondContact O-CD2 3.47Å; F501-F505 WeakPolarHBondContact O-CE2 3.46Å; Y502-F505 WeakPolarHBondContact O-CB 3.48Å; Y502-F505 PolarHBondContact O-N 2.85Å; K503-F505 PolarHBondContact O-N 3.37Å; F505-K508 PolarHBondContact O-N 2.87Å; F505-L509 WeakPolarHBondContact O-CB 3.2Å; F505-L509 PolarHBondContact O-N 3.25Å
506	N	98.3	Very high	97.3	Very high	10 Å²	10	48.6 Å²	48.6	5%	0.053	23%	0.227	C	C	.	.	H	α-helix	trans	-68.5	-40.5	177.7	-67	-6.3	0	0	0	111.8	Y502 K503 K508 L509 A510 R519 W520	Y502-N506 PolarHBondContact O-N 3.32Å; K503-N506 PolarHBondContact O-N 2.84Å; N506-K508 PolarHBondContact O-N 3.38Å; N506-L509 WeakPolarHBondContact O-CB 3.31Å; N506-L509 PolarHBondContact O-N 3.43Å; N506-A510 WeakPolarHBondContact O-CB 3.25Å; N506-A510 PolarHBondContact O-N 2.82Å; N506-R519 PolarHBondContact ND2-O 2.88Å; N506-W520 HydrophobicContact CB-CE3 4.26Å; N506-W520 HydrophobicContact CB-CZ3 4.46Å
507	E	97.7	Very high	97.3	Very high	59 Å²	59	47.1 Å²	47.1	28%	0.276	23%	0.226	S	C	.	.	H	α-helix	trans	-61	-44.1	173.5	-73.9	175.7	-177	0	0	111.5	K503 K511	K503-E507 WeakPolarHBondContact CE-OE1 3.26Å; K503-E507 HydrophobicContact CG-CG 4.38Å; K503-E507 WeakPolarHBondContact CG-OE1 3.33Å; K503-E507 WeakPolarHBondContact O-CG 3.26Å; K503-E507 PolarHBondContact O-N 3.39Å; E507-K511 VanDerWaalsContact O-CG 3.29Å; E507-K511 WeakPolarHBondContact O-CG 3.29Å; E507-K511 PolarHBondContact O-N 2.9Å; E507-K511 VanDerWaalsContact O-N 3.12Å
508	K	97.6	Very high	97.3	Very high	54 Å²	54	47.1 Å²	47.1	24%	0.235	23%	0.226	C	C	.	.	H	α-helix	trans	-65.5	-40.7	174.3	-176.3	70.6	178.3	-172.9	0	111.2	F127 V420 P504 F505 N506 K511 V512	F127-K508 HydrophobicContact CB-CD 4.43Å; F127-K508 HydrophobicContact CD1-CG 4.08Å; F127-K508 HydrophobicContact CD2-CB 4.01Å; F127-K508 HydrophobicContact CD2-CD 3.81Å; F127-K508 HydrophobicContact CD2-CG 3.68Å; F127-K508 HydrophobicContact CE1-CB 4.36Å; F127-K508 HydrophobicContact CE1-CG 4.16Å; F127-K508 HydrophobicContact CE2-CB 3.55Å; F127-K508 HydrophobicContact CE2-CD 4.27Å; F127-K508 HydrophobicContact CE2-CG 3.74Å; F127-K508 HydrophobicContact CG-CD 4.08Å; F127-K508 HydrophobicContact CG-CG 3.85Å; F127-K508 HydrophobicContact CZ-CB 3.76Å; F127-K508 HydrophobicContact CZ-CG 3.99Å; V420-K508 HydrophobicContact CG1-CB 4.4Å; V420-K508 HydrophobicContact CG1-CG 4.43Å; V420-K508 HydrophobicContact CG2-CB 4.13Å; V420-K508 HydrophobicContact CG2-CG 3.64Å; P504-K508 WeakPolarHBondContact O-CB 3.37Å; P504-K508 PolarHBondContact O-N 3.35Å; P504-K508 VanDerWaalsContact O-N 3.14Å; F505-K508 PolarHBondContact O-N 2.87Å; N506-K508 PolarHBondContact O-N 3.38Å; K508-K511 PolarHBondContact O-N 2.86Å; K508-V512 HydrophobicContact CD-CG2 4.44Å; K508-V512 HydrophobicContact CG-CG2 4.36Å; K508-V512 WeakPolarHBondContact O-CB 3.42Å; K508-V512 VanDerWaalsContact O-CG2 3.29Å; K508-V512 WeakPolarHBondContact O-CG2 3.25Å; K508-V512 PolarHBondContact O-N 2.86Å
509	L	97.9	Very high	97.2	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-60.1	-49	177.5	-177.7	63.9	0	0	0	111.3	L353 Y419 V420 L423 F505 N506 K511 V512 L513 F518 W520	L353-L509 HydrophobicContact CD1-CD1 4.48Å; L353-L509 HydrophobicContact CD1-CD2 3.9Å; Y419-L509 HydrophobicContact CD2-CD2 3.98Å; V420-L509 HydrophobicContact CB-CB 4.03Å; V420-L509 HydrophobicContact CB-CD1 4.18Å; V420-L509 HydrophobicContact CG2-CB 4.28Å; V420-L509 HydrophobicContact CG2-CD1 4.41Å; L423-L509 HydrophobicContact CD2-CD1 3.65Å; F505-L509 WeakPolarHBondContact O-CB 3.2Å; F505-L509 PolarHBondContact O-N 3.25Å; N506-L509 WeakPolarHBondContact O-CB 3.31Å; N506-L509 PolarHBondContact O-N 3.43Å; L509-K511 VanDerWaalsContact C-N 3.31Å; L509-K511 PolarHBondContact O-N 3.33Å; L509-V512 PolarHBondContact O-N 3.33Å; L509-L513 HydrophobicContact CD1-CD1 3.72Å; L509-L513 HydrophobicContact CD1-CG 4.11Å; L509-L513 HydrophobicContact CG-CD1 3.87Å; L509-L513 HydrophobicContact CG-CG 4.47Å; L509-L513 WeakPolarHBondContact O-CB 3.41Å; L509-L513 WeakPolarHBondContact O-CG 3.36Å; L509-L513 PolarHBondContact O-N 3.06Å; L509-F518 HydrophobicContact CD2-CB 4.08Å; L509-F518 HydrophobicContact CD2-CD1 4.07Å; L509-F518 HydrophobicContact CD2-CG 4.44Å; L509-F518 HydrophobicContact CG-CB 4.2Å; L509-W520 HydrophobicContact CD2-CH2 3.71Å; L509-W520 HydrophobicContact CD2-CZ3 3.75Å
510	A	98.1	Very high	97.1	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-58.2	-42.9	177.6	0	0	0	0	0	111.6	N506 L513 Q514 K515 F518 R519	N506-A510 WeakPolarHBondContact O-CB 3.25Å; N506-A510 PolarHBondContact O-N 2.82Å; A510-L513 PolarHBondContact O-N 3.47Å; A510-Q514 VanDerWaalsContact O-CA 3.31Å; A510-Q514 WeakPolarHBondContact O-CA 3.3Å; A510-Q514 PolarHBondContact O-N 3.37Å; A510-K515 WeakPolarHBondContact CA-O 3.43Å; A510-K515 VanDerWaalsContact CB-O 3.31Å; A510-K515 WeakPolarHBondContact CB-O 3.12Å; A510-K515 PolarHBondContact O-N 2.93Å; A510-F518 HydrophobicContact CB-CB 4.4Å; A510-R519 HydrophobicContact CB-CG 3.64Å
511	K	97.4	Very high	96.6	Very high	134 Å²	134	51.2 Å²	51.2	58%	0.583	24%	0.239	S	C	*	.	H	α-helix	trans	-63.3	-46.2	173.8	-71.5	170.1	-176.8	172.9	0	112.3	E507 K508 L509 L513 Q514	E507-K511 VanDerWaalsContact O-CG 3.29Å; E507-K511 WeakPolarHBondContact O-CG 3.29Å; E507-K511 PolarHBondContact O-N 2.9Å; E507-K511 VanDerWaalsContact O-N 3.12Å; K508-K511 PolarHBondContact O-N 2.86Å; L509-K511 VanDerWaalsContact C-N 3.31Å; L509-K511 PolarHBondContact O-N 3.33Å; K511-L513 VanDerWaalsContact C-N 3.32Å; K511-L513 PolarHBondContact O-N 2.99Å; K511-Q514 PolarHBondContact O-N 3.4Å
512	V	96.6	Very high	94.8	Very high	21 Å²	21	54.8 Å²	54.8	13%	0.127	26%	0.264	C	S	.	.	H	α-helix	trans	-62.7	-39.5	178.5	167.5	0	0	0	0	111	V420 L423 I424 L427 R432 K508 L509	V420-V512 HydrophobicContact CG2-CG2 4.11Å; L423-V512 HydrophobicContact CD2-CG1 4.19Å; I424-V512 HydrophobicContact CD1-CG2 4.15Å; I424-V512 HydrophobicContact CG1-CG2 4.1Å; L427-V512 HydrophobicContact CD1-CG1 3.56Å; R432-V512 PolarHBondContact NH1-O 3.49Å; R432-V512 PolarHBondContact NH2-O 3.47Å; K508-V512 HydrophobicContact CD-CG2 4.44Å; K508-V512 HydrophobicContact CG-CG2 4.36Å; K508-V512 WeakPolarHBondContact O-CB 3.42Å; K508-V512 VanDerWaalsContact O-CG2 3.29Å; K508-V512 WeakPolarHBondContact O-CG2 3.25Å; K508-V512 PolarHBondContact O-N 2.86Å; L509-V512 PolarHBondContact O-N 3.33Å
513	L	96.9	Very high	92.1	Very high	21 Å²	21	61 Å²	61	11%	0.11	30%	0.298	C	S	.	.	H	α-helix	trans	-85.9	-10	179.7	-69.4	178.6	0	0	0	114.1	L423 V437 L509 A510 K511 K515 F518	L423-L513 HydrophobicContact CD2-CD1 4.34Å; L423-L513 HydrophobicContact CD2-CD2 3.63Å; L423-L513 HydrophobicContact CD2-CG 3.98Å; V437-L513 HydrophobicContact CB-CD1 4.36Å; V437-L513 HydrophobicContact CB-CD2 4.11Å; V437-L513 HydrophobicContact CG1-CD1 3.92Å; V437-L513 HydrophobicContact CG1-CD2 4.48Å; V437-L513 HydrophobicContact CG2-CD2 3.82Å; L509-L513 HydrophobicContact CD1-CD1 3.72Å; L509-L513 HydrophobicContact CD1-CG 4.11Å; L509-L513 HydrophobicContact CG-CD1 3.87Å; L509-L513 HydrophobicContact CG-CG 4.47Å; L509-L513 WeakPolarHBondContact O-CB 3.41Å; L509-L513 WeakPolarHBondContact O-CG 3.36Å; L509-L513 PolarHBondContact O-N 3.06Å; A510-L513 PolarHBondContact O-N 3.47Å; K511-L513 VanDerWaalsContact C-N 3.32Å; K511-L513 PolarHBondContact O-N 2.99Å; L513-K515 HydrophobicContact CB-CB 4.39Å; L513-K515 PolarHBondContact O-N 2.83Å; L513-F518 HydrophobicContact CB-CD2 4.4Å; L513-F518 HydrophobicContact CD1-CB 4.46Å; L513-F518 HydrophobicContact CD1-CD1 3.81Å; L513-F518 HydrophobicContact CD1-CD2 3.7Å; L513-F518 HydrophobicContact CD1-CE1 3.84Å; L513-F518 HydrophobicContact CD1-CE2 3.74Å; L513-F518 HydrophobicContact CD1-CG 3.73Å; L513-F518 HydrophobicContact CD1-CZ 3.79Å
514	Q	97.1	Very high	89	Confident	162 Å²	162	61.8 Å²	61.8	76%	0.757	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	40.2	-172.1	-55.7	175.1	11	0	0	112.2	A510 K511	A510-Q514 VanDerWaalsContact O-CA 3.31Å; A510-Q514 WeakPolarHBondContact O-CA 3.3Å; A510-Q514 PolarHBondContact O-N 3.37Å; K511-Q514 PolarHBondContact O-N 3.4Å
515	K	95.9	Very high	85.7	Confident	113 Å²	113	68.9 Å²	68.9	49%	0.491	35%	0.346	S	S	.	.			trans	-143.9	109.1	-175.8	-73.9	-178.3	-179.8	-177.9	0	110.5	A510 L513 S517 F518	A510-K515 WeakPolarHBondContact CA-O 3.43Å; A510-K515 VanDerWaalsContact CB-O 3.31Å; A510-K515 WeakPolarHBondContact CB-O 3.12Å; A510-K515 PolarHBondContact O-N 2.93Å; L513-K515 HydrophobicContact CB-CB 4.39Å; L513-K515 PolarHBondContact O-N 2.83Å; K515-S517 PolarHBondContact O-N 3.42Å; K515-F518 HydrophobicContact CB-CD2 3.63Å; K515-F518 HydrophobicContact CB-CE2 3.91Å; K515-F518 HydrophobicContact CD-CD2 4.39Å; K515-F518 HydrophobicContact CD-CE2 3.77Å; K515-F518 HydrophobicContact CG-CE2 4.49Å; K515-F518 PolarHBondContact O-N 2.86Å
516	E	96.3	Very high	82.4	Confident	114 Å²	114	80 Å²	80	53%	0.533	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-64.4	-23.9	-177.8	-65.7	-59.9	161.8	0	0	113.6	F518 R519	E516-F518 PolarHBondContact O-N 3.49Å; E516-R519 WeakPolarHBondContact O-CB 3.27Å; E516-R519 WeakPolarHBondContact O-CG 3.37Å; E516-R519 PolarHBondContact O-N 2.77Å; E516-R519 IonicContact OE1-NH2 3.2Å; E516-R519 PolarHBondContact OE1-NH2 2.89Å; E516-R519 WeakPolarHBondContact OE2-CD 3.31Å; E516-R519 IonicContact OE2-CZ 2.79Å; E516-R519 IonicContact OE2-NE 2.75Å; E516-R519 PolarHBondContact OE2-NE 2.93Å; E516-R519 IonicContact OE2-NH2 3.12Å; E516-R519 PolarHBondContact OE2-NH2 3.36Å
517	S	95.8	Very high	81.6	Confident	51 Å²	51	83.6 Å²	83.6	36%	0.357	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-62	-18.3	178.8	66.1	0	0	0	0	114.2	R439 K515 R519	R439-S517 VanDerWaalsContact CZ-O 3.22Å; R439-S517 PolarHBondContact NE-O 3.34Å; R439-S517 PolarHBondContact NH2-O 2.87Å; R439-S517 VanDerWaalsContact NH2-O 3.15Å; K515-S517 PolarHBondContact O-N 3.42Å; S517-R519 VanDerWaalsContact C-N 3.28Å; S517-R519 PolarHBondContact O-N 3.48Å
518	F	97.1	Very high	80.8	Confident	5 Å²	5	84.8 Å²	84.8	2%	0.022	43%	0.43	C	S	.	.	G	3₁₀ helix	trans	-83.7	6	172.9	-69.2	-88.4	0	0	0	114	L353 V437 R439 L509 A510 L513 K515 E516 W520	L353-F518 HydrophobicContact CB-CE1 4.17Å; L353-F518 HydrophobicContact CD1-CD1 3.99Å; L353-F518 HydrophobicContact CD1-CE1 3.79Å; L353-F518 HydrophobicContact CG-CE1 4.35Å; V437-F518 HydrophobicContact CG1-CE1 3.84Å; V437-F518 HydrophobicContact CG1-CZ 3.85Å; R439-F518 HydrophobicContact CG-CD1 3.87Å; R439-F518 HydrophobicContact CG-CE1 3.28Å; R439-F518 HydrophobicContact CG-CE2 4.09Å; R439-F518 HydrophobicContact CG-CG 4.5Å; R439-F518 HydrophobicContact CG-CZ 3.43Å; R439-F518 VanDerWaalsContact CG-CZ 3.43Å; L509-F518 HydrophobicContact CD2-CB 4.08Å; L509-F518 HydrophobicContact CD2-CD1 4.07Å; L509-F518 HydrophobicContact CD2-CG 4.44Å; L509-F518 HydrophobicContact CG-CB 4.2Å; A510-F518 HydrophobicContact CB-CB 4.4Å; L513-F518 HydrophobicContact CB-CD2 4.4Å; L513-F518 HydrophobicContact CD1-CB 4.46Å; L513-F518 HydrophobicContact CD1-CD1 3.81Å; L513-F518 HydrophobicContact CD1-CD2 3.7Å; L513-F518 HydrophobicContact CD1-CE1 3.84Å; L513-F518 HydrophobicContact CD1-CE2 3.74Å; L513-F518 HydrophobicContact CD1-CG 3.73Å; L513-F518 HydrophobicContact CD1-CZ 3.79Å; K515-F518 HydrophobicContact CB-CD2 3.63Å; K515-F518 HydrophobicContact CB-CE2 3.91Å; K515-F518 HydrophobicContact CD-CD2 4.39Å; K515-F518 HydrophobicContact CD-CE2 3.77Å; K515-F518 HydrophobicContact CG-CE2 4.49Å; K515-F518 PolarHBondContact O-N 2.86Å; E516-F518 PolarHBondContact O-N 3.49Å; F518-W520 VanDerWaalsContact C-N 3.3Å; F518-W520 HydrophobicContact CB-CH2 4.42Å; F518-W520 HydrophobicContact CB-CZ3 4.46Å; F518-W520 AromaticContact CD1-CH2 3.8Å; F518-W520 HydrophobicContact CD1-CH2 3.8Å; F518-W520 AromaticContact CD1-CZ2 3.86Å; F518-W520 HydrophobicContact CD1-CZ2 3.86Å; F518-W520 WeakPolarHBondContact O-CZ3 3.21Å
519	R	96.8	Very high	79.9	Confident	69 Å²	69	86.6 Å²	86.6	26%	0.26	44%	0.441	S	S	.	.	G	3₁₀ helix	trans	-74.1	-26.8	165.6	-65.4	-161.9	-172.4	176.8	11.5	112.4	N506 A510 E516 S517 E521	N506-R519 PolarHBondContact ND2-O 2.88Å; A510-R519 HydrophobicContact CB-CG 3.64Å; E516-R519 WeakPolarHBondContact O-CB 3.27Å; E516-R519 WeakPolarHBondContact O-CG 3.37Å; E516-R519 PolarHBondContact O-N 2.77Å; E516-R519 IonicContact OE1-NH2 3.2Å; E516-R519 PolarHBondContact OE1-NH2 2.89Å; E516-R519 WeakPolarHBondContact OE2-CD 3.31Å; E516-R519 IonicContact OE2-CZ 2.79Å; E516-R519 IonicContact OE2-NE 2.75Å; E516-R519 PolarHBondContact OE2-NE 2.93Å; E516-R519 IonicContact OE2-NH2 3.12Å; E516-R519 PolarHBondContact OE2-NH2 3.36Å; S517-R519 VanDerWaalsContact C-N 3.28Å; S517-R519 PolarHBondContact O-N 3.48Å; R519-E521 HydrophobicContact CB-CG 3.95Å; R519-E521 WeakPolarHBondContact CD-OE1 2.99Å; R519-E521 IonicContact NH1-OE1 3.94Å; R519-E521 PolarHBondContact O-N 2.91Å
520	W	95.1	Very high	78.8	Confident	25 Å²	25	91.6 Å²	91.6	10%	0.095	47%	0.466	C	S	.	.			trans	49.6	33.8	-169.2	-60.6	-85.3	0	0	0	112.8	L353 R354 D355 P356 Y419 E441 N506 L509 F518 S522	L353-W520 HydrophobicContact CB-CH2 4.26Å; L353-W520 HydrophobicContact CB-CZ2 4.12Å; L353-W520 HydrophobicContact CD1-CH2 4.49Å; R354-W520 VanDerWaalsContact C-CZ2 3.48Å; R354-W520 VanDerWaalsContact O-CZ2 3.26Å; R354-W520 WeakPolarHBondContact O-CZ2 3.39Å; D355-W520 HydrophobicContact CB-CB 4.31Å; D355-W520 HydrophobicContact CB-CD2 4.44Å; D355-W520 HydrophobicContact CB-CG 3.91Å; D355-W520 VanDerWaalsContact N-NE1 3.13Å; P356-W520 HydrophobicContact CG-CE3 4.37Å; P356-W520 HydrophobicContact CG-CZ3 4.38Å; Y419-W520 AromaticContact CD2-CH2 3.77Å; Y419-W520 HydrophobicContact CD2-CH2 3.77Å; Y419-W520 HydrophobicContact CD2-CZ3 4.19Å; Y419-W520 AromaticContact CE2-CH2 3.66Å; Y419-W520 HydrophobicContact CE2-CH2 3.66Å; Y419-W520 HydrophobicContact CE2-CZ2 4.38Å; Y419-W520 HydrophobicContact CE2-CZ3 4.19Å; E441-W520 PolarHBondContact OE2-NE1 2.87Å; N506-W520 HydrophobicContact CB-CE3 4.26Å; N506-W520 HydrophobicContact CB-CZ3 4.46Å; L509-W520 HydrophobicContact CD2-CH2 3.71Å; L509-W520 HydrophobicContact CD2-CZ3 3.75Å; F518-W520 VanDerWaalsContact C-N 3.3Å; F518-W520 HydrophobicContact CB-CH2 4.42Å; F518-W520 HydrophobicContact CB-CZ3 4.46Å; F518-W520 AromaticContact CD1-CH2 3.8Å; F518-W520 HydrophobicContact CD1-CH2 3.8Å; F518-W520 AromaticContact CD1-CZ2 3.86Å; F518-W520 HydrophobicContact CD1-CZ2 3.86Å; F518-W520 WeakPolarHBondContact O-CZ3 3.21Å; W520-S522 PolarHBondContact O-N 2.91Å
521	E	85.3	Confident	77.6	Confident	112 Å²	112	97.3 Å²	97.3	52%	0.523	50%	0.496	S	S	.	.			trans	-64.2	124.2	166.5	-73	172.5	-163.7	0	0	107	R519 N523	R519-E521 HydrophobicContact CB-CG 3.95Å; R519-E521 WeakPolarHBondContact CD-OE1 2.99Å; R519-E521 IonicContact NH1-OE1 3.94Å; R519-E521 PolarHBondContact O-N 2.91Å; E521-N523 PolarHBondContact O-N 2.97Å; E521-N523 VanDerWaalsContact O-N 3.1Å
522	S	60.3	Low	76.3	Confident	76 Å²	76	94.9 Å²	94.9	53%	0.531	49%	0.49	S	S	.	.			trans	-63.9	115.4	173.9	-51.9	0	0	0	0	106.1	W520 S524	W520-S522 PolarHBondContact O-N 2.91Å; S522-S524 VanDerWaalsContact C-N 3.25Å; S522-S524 PolarHBondContact O-N 3.22Å
523	N	41.7	Very low	74.8	Confident	132 Å²	132	100.1 Å²	100.1	71%	0.706	52%	0.516	S	S	*	.			trans	-58.7	102.8	161.8	-79.9	-3.4	0	0	0	105.6	E521 E525	E521-N523 PolarHBondContact O-N 2.97Å; E521-N523 VanDerWaalsContact O-N 3.1Å; N523-E525 PolarHBondContact O-N 3.32Å
524	S	31.1	Very low	73.1	Confident	113 Å²	113	106.2 Å²	106.2	79%	0.79	55%	0.547	S	S	*	.	S	Bend	trans	-74.3	48.4	167.7	46.1	0	0	0	0	109.5	S522	S522-S524 VanDerWaalsContact C-N 3.25Å; S522-S524 PolarHBondContact O-N 3.22Å
525	E	28.8	Very low	71.1	Confident	173 Å²	173	101.6 Å²	101.6	81%	0.808	53%	0.529	S	S	*	.			trans	179.3	98.3	175.1	-103.5	163.1	-142.9	0	0	108.6	N523	N523-E525 PolarHBondContact O-N 3.32Å
526	L	29.3	Very low	68.9	Low	236 Å²	236	100.5 Å²	100.5	100%	1.236	53%	0.533	S	S	*	.			trans	-163.8	0	143.2	-104.2	161.5	0	0	0	109.3

Retrieved 526 of 526 residues in 642.9 ms (Link to these results)

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