A0A060W1P9_ONCMY Loading...

Vitamin K-dependent gamma-carboxylase

AlphaFold DB , UniProt , Accession A0A060W1P9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110509897, Length 779 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	28.8	Very low	23	Very low	251 Å²	251	137.5 Å²	137.5	100%	1.236	87%	0.872	S	S	*	*				0	125.1	0	-84.1	175.7	174.1	0	0	107.1
2	E	22.1	Very low	23	Very low	197 Å²	197	132.8 Å²	132.8	92%	0.921	87%	0.869	S	S	*	*			trans	-59.1	171.8	176.5	-53.2	162	126.2	0	0	111.2
3	A	23.6	Very low	23	Very low	99 Å²	99	129.6 Å²	129.6	82%	0.818	86%	0.86	S	S	*	*			cis	-159.1	147.4	12.4	0	0	0	0	0	107.8
4	G	22.6	Very low	23.4	Very low	82 Å²	82	129.9 Å²	129.9	85%	0.845	86%	0.861	S	S	*	*				106.4	150.5	105.2	0	0	0	0	0	111.7
5	A	23.1	Very low	23.4	Very low	94 Å²	94	134.5 Å²	134.5	78%	0.777	86%	0.862	S	S	*	*			cis	-169.4	170.1	-5.6	0	0	0	0	0	109.4
6	C	20.6	Very low	23.6	Very low	111 Å²	111	135.2 Å²	135.2	75%	0.75	86%	0.855	S	S	*	*			trans	107.4	98.3	154.4	-64	0	0	0	0	121.2
7	D	21.9	Very low	23.5	Very low	140 Å²	140	138.6 Å²	138.6	75%	0.749	86%	0.857	S	S	*	*				76.4	108.6	116.6	-63.8	-18.2	0	0	0	124.9
8	N	23.5	Very low	23.6	Very low	154 Å²	154	141.1 Å²	141.1	82%	0.824	86%	0.857	S	S	*	*				40.7	123.7	123.5	-75.8	-24.1	0	0	0	122.6
9	A	22.7	Very low	23.6	Very low	105 Å²	105	140.3 Å²	140.3	87%	0.868	86%	0.858	S	S	*	*				-167.5	115.3	119.7	0	0	0	0	0	112.4
10	N	21.8	Very low	23.8	Very low	173 Å²	173	139.1 Å²	139.1	93%	0.925	86%	0.856	S	S	*	*			trans	-77.2	138.1	175.6	-95.9	-23.5	0	0	0	112.5
11	A	22.9	Very low	23.9	Very low	106 Å²	106	136.2 Å²	136.2	88%	0.876	85%	0.854	S	S	*	*			trans	-112.4	113.4	160.5	0	0	0	0	0	109.1
12	G	22.4	Very low	23.8	Very low	82 Å²	82	133.9 Å²	133.9	85%	0.845	84%	0.84	S	S	*	*			trans	-81.6	135.3	-178.1	0	0	0	0	0	113.6
13	A	23.6	Very low	24	Very low	91 Å²	91	127.9 Å²	127.9	75%	0.752	83%	0.831	S	S	*	*			trans	-96	159.2	153.3	0	0	0	0	0	108.9
14	P	28.4	Very low	24.1	Very low	134 Å²	134	131.1 Å²	131.1	87%	0.87	84%	0.835	S	S	*	*			trans	-105.6	109.4	153.6	28.9	-15.3	0	0	0	109.2
15	F	23.2	Very low	24.4	Very low	199 Å²	199	135.4 Å²	135.4	87%	0.873	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-97.7	149.8	161.3	-151.2	-92.5	0	0	0	108.1
16	I	25.8	Very low	24.6	Very low	145 Å²	145	136.8 Å²	136.8	74%	0.744	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-58	132.7	-170.3	-66.6	163.8	0	0	0	112.6	Q18	I16-Q18 PolarHBondContact O-N 2.71Å
17	E	23.3	Very low	24.8	Very low	193 Å²	193	135.2 Å²	135.2	90%	0.902	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-66.4	120.7	169.8	-86.5	178.9	146.3	0	0	111.1
18	Q	24.4	Very low	25	Very low	184 Å²	184	134.2 Å²	134.2	86%	0.86	85%	0.848	S	S	*	*			trans	-105.2	115.5	153.1	-82.9	-176.5	-21.2	0	0	107.4	I16 S20	I16-Q18 PolarHBondContact O-N 2.71Å; Q18-S20 PolarHBondContact O-N 3.36Å
19	S	24	Very low	25.2	Very low	125 Å²	125	131.9 Å²	131.9	87%	0.874	84%	0.844	S	S	*	*			trans	-73.3	109.9	173.7	62.3	0	0	0	0	110.2
20	S	26.6	Very low	25.4	Very low	116 Å²	116	134.6 Å²	134.6	81%	0.811	84%	0.844	S	S	*	*			trans	-97.7	103	163.4	57.3	0	0	0	0	109.3	Q18	Q18-S20 PolarHBondContact O-N 3.36Å
21	G	26.2	Very low	25.7	Very low	80 Å²	80	135.7 Å²	135.7	83%	0.825	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-80.5	118.4	166.3	0	0	0	0	0	110.1
22	Q	28.1	Very low	26	Very low	201 Å²	201	134.4 Å²	134.4	94%	0.939	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-59.7	135.9	168.7	-110.5	160.3	-31.5	0	0	110.6
23	G	25.8	Very low	26.2	Very low	71 Å²	71	140.4 Å²	140.4	73%	0.732	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-78.4	143.3	169.7	0	0	0	0	0	111.5
24	D	25.5	Very low	26.3	Very low	168 Å²	168	139.9 Å²	139.9	90%	0.898	85%	0.85	S	S	*	*			trans	-139.1	140.3	156.9	-102.2	-28.4	0	0	0	109.6
25	L	28.8	Very low	26.3	Very low	171 Å²	171	140.2 Å²	140.2	90%	0.895	85%	0.85	S	S	*	*			trans	-76.6	138.7	-176	-76.1	137.1	0	0	0	112.1
26	S	27	Very low	26.4	Very low	124 Å²	124	139 Å²	139	87%	0.867	85%	0.849	S	S	*	*			trans	-176.2	133.1	131.9	42.7	0	0	0	0	110.2
27	G	25.8	Very low	26.5	Very low	78 Å²	78	139.8 Å²	139.8	80%	0.804	86%	0.855	S	S	*	*			trans	-95.4	151.6	174.7	0	0	0	0	0	112
28	S	26.2	Very low	27.1	Very low	118 Å²	118	140.2 Å²	140.2	83%	0.825	85%	0.854	S	S	*	*			trans	-166.3	136.4	143.1	56.4	0	0	0	0	109.9
29	S	26.2	Very low	27.3	Very low	105 Å²	105	139.9 Å²	139.9	73%	0.734	85%	0.852	S	S	*	*			trans	-45.6	143.6	169	45.1	0	0	0	0	115.6
30	D	28.4	Very low	27.6	Very low	162 Å²	162	140.5 Å²	140.5	87%	0.866	85%	0.851	S	S	*	*				-165.4	148.6	121.7	-109.3	-15.2	0	0	0	113.4
31	E	27.8	Very low	27.7	Very low	196 Å²	196	141 Å²	141	92%	0.916	85%	0.849	S	S	*	*			trans	-76.6	159	-175.2	-62.5	176.3	147.5	0	0	113.6
32	G	27.9	Very low	27.9	Very low	80 Å²	80	142.3 Å²	142.3	83%	0.825	84%	0.843	S	S	*	*			trans	171.7	101.7	164.3	0	0	0	0	0	114.5
33	E	26.8	Very low	28	Very low	208 Å²	208	138.3 Å²	138.3	97%	0.972	84%	0.844	S	S	*	*			trans	-57.6	148	172.3	-69.2	174.4	127.7	0	0	113.7
34	G	27	Very low	28.2	Very low	80 Å²	80	139 Å²	139	83%	0.825	84%	0.843	S	S	*	*			trans	177.2	107.5	167.7	0	0	0	0	0	114.1
35	T	26.8	Very low	28.5	Very low	141 Å²	141	140.2 Å²	140.2	87%	0.865	84%	0.843	S	S	*	*			trans	-64.7	139.7	-174.6	38.3	0	0	0	0	117.1
36	M	26.5	Very low	28.7	Very low	172 Å²	172	144 Å²	144	85%	0.847	85%	0.845	S	S	*	*			trans	54.3	110.3	136.8	-127	169.5	81.1	0	0	119.7
37	D	27.3	Very low	28.9	Very low	163 Å²	163	142.5 Å²	142.5	87%	0.872	84%	0.841	S	S	*	*				-151.6	133.1	126.8	-102.4	-30.3	0	0	0	111.8	E39	D37-E39 PolarHBondContact O-N 2.94Å
38	K	35.5	Very low	29.5	Very low	202 Å²	202	145.2 Å²	145.2	88%	0.878	84%	0.842	S	S	*	*			trans	-77.8	103	176.2	-86.7	175.8	172.1	173.2	0	108.9
39	E	28.3	Very low	30.5	Very low	176 Å²	176	147.8 Å²	147.8	82%	0.822	84%	0.84	S	S	*	*			trans	-104.5	106.4	155.9	-84.3	-171.4	150.7	0	0	109.9	D37 V41	D37-E39 PolarHBondContact O-N 2.94Å; E39-V41 PolarHBondContact O-N 3.44Å
40	T	31.8	Very low	31.8	Very low	139 Å²	139	149.3 Å²	149.3	85%	0.853	85%	0.846	S	S	*	*			trans	-63.1	98.7	162	37.7	0	0	0	0	109.2
41	V	28.5	Very low	33.8	Very low	127 Å²	127	147.8 Å²	147.8	77%	0.77	83%	0.833	S	S	*	*			trans	-71.3	135.9	167.5	179.8	0	0	0	0	109	E39	E39-V41 PolarHBondContact O-N 3.44Å
42	P	30	Very low	36.5	Very low	107 Å²	107	140.7 Å²	140.7	70%	0.695	81%	0.806	S	S	*	*			trans	-71	144.1	-170.9	-12.7	27.4	0	0	0	112.8	A44	P42-A44 PolarHBondContact O-N 3.01Å
43	A	29.7	Very low	39	Very low	116 Å²	116	142.9 Å²	142.9	96%	0.959	80%	0.796	S	S	*	*	S	Bend	trans	-67.8	67.3	169.6	0	0	0	0	0	112.1
44	A	31.4	Very low	41.6	Very low	86 Å²	86	135.6 Å²	135.6	71%	0.711	76%	0.762	S	S	*	*			trans	-118.1	14	-177.6	0	0	0	0	0	114.5	P42	P42-A44 PolarHBondContact O-N 3.01Å
45	E	31.4	Very low	44.2	Very low	194 Å²	194	135.3 Å²	135.3	91%	0.907	74%	0.738	S	S	*	*	S	Bend	trans	-119.4	20.1	-178.1	-77.8	-170.6	157.5	0	0	115.4
46	R	32.6	Very low	46.7	Very low	249 Å²	249	136.7 Å²	136.7	94%	0.94	73%	0.728	S	S	*	*			trans	-132	79.7	171.5	-71.4	-172.8	-171.9	173.3	3.3	112.7
47	A	31.7	Very low	49.1	Very low	94 Å²	94	131.7 Å²	131.7	78%	0.777	70%	0.704	S	S	*	*			trans	-154.7	59.5	156.1	0	0	0	0	0	110.5	E49	A47-E49 VanDerWaalsContact C-N 3.29Å; A47-E49 PolarHBondContact O-N 3.29Å
48	V	38	Very low	51.4	Low	135 Å²	135	128.1 Å²	128.1	82%	0.818	68%	0.681	S	S	*	*			trans	-79.5	91	155.5	179.9	0	0	0	0	105.3	T50	V48-T50 PolarHBondContact O-N 3.2Å
49	E	46	Very low	53.5	Low	171 Å²	171	119.9 Å²	119.9	80%	0.799	65%	0.653	S	S	*	*			trans	-54.4	111	169.4	-81.7	-175.3	159.5	0	0	107.8	A47 E51	A47-E49 VanDerWaalsContact C-N 3.29Å; A47-E49 PolarHBondContact O-N 3.29Å; E49-E51 PolarHBondContact O-N 3.05Å
50	T	55.4	Low	56.1	Low	137 Å²	137	113.8 Å²	113.8	84%	0.84	62%	0.624	S	S	*	*			trans	-68.6	102.3	177.6	-30	0	0	0	0	106.8	V48 S52	V48-T50 PolarHBondContact O-N 3.2Å; T50-S52 PolarHBondContact O-N 2.85Å
51	E	69.1	Low	58.8	Low	130 Å²	130	109.9 Å²	109.9	61%	0.607	60%	0.596	S	S	*	*			trans	-53.6	131.2	179	-74.7	-166.8	146.8	0	0	110.2	E49 K55	E49-E51 PolarHBondContact O-N 3.05Å; E51-K55 HydrophobicContact CG-CD 4.33Å
52	S	84.4	Confident	61.5	Low	48 Å²	48	111 Å²	111	34%	0.336	59%	0.591	S	S	.	*			trans	-62.2	146.8	-179.8	75.2	0	0	0	0	110.7	T50 M54 K55 R56	T50-S52 PolarHBondContact O-N 2.85Å; S52-M54 PolarHBondContact O-N 3.39Å; S52-M54 VanDerWaalsContact O-N 3.14Å; S52-K55 WeakPolarHBondContact O-CB 3.22Å; S52-K55 PolarHBondContact O-N 3.18Å; S52-K55 WeakPolarHBondContact OG-CB 3.2Å; S52-K55 PolarHBondContact OG-N 3.06Å; S52-K55 VanDerWaalsContact OG-N 3.16Å; S52-R56 PolarHBondContact O-N 2.94Å
53	M	80.6	Confident	64.2	Low	125 Å²	125	110.5 Å²	110.5	62%	0.616	58%	0.579	S	S	*	*	H	α-helix	trans	-56.2	-33.2	177.1	-179.7	-101.7	-94.2	0	0	111.9	R56 L57	M53-R56 PolarHBondContact O-N 2.77Å; M53-L57 HydrophobicContact CG-CD1 4.03Å; M53-L57 HydrophobicContact CG-CG 4.44Å; M53-L57 WeakPolarHBondContact O-CB 3.46Å; M53-L57 WeakPolarHBondContact O-CG 3.36Å; M53-L57 PolarHBondContact O-N 2.81Å; M53-L57 HydrophobicContact SD-CD1 3.37Å; M53-L57 WeakPolarHBondContact SD-CD1 3.41Å; M53-L57 HydrophobicContact SD-CG 4.31Å
54	M	81.1	Confident	66.9	Low	55 Å²	55	107.1 Å²	107.1	27%	0.271	55%	0.545	S	S	.	.	H	α-helix	trans	-65.9	-45.4	175.3	-173.8	170.5	171	0	0	112.5	S52 R56 L57 F58 F60 K62	S52-M54 PolarHBondContact O-N 3.39Å; S52-M54 VanDerWaalsContact O-N 3.14Å; M54-R56 VanDerWaalsContact C-N 3.3Å; M54-R56 PolarHBondContact O-N 3.24Å; M54-L57 PolarHBondContact O-N 3.43Å; M54-F58 HydrophobicContact CG-CD2 4.16Å; M54-F58 PolarHBondContact O-N 3.43Å; M54-F60 CarbonylContact C-O 3.51Å; M54-F60 HydrophobicContact CE-CD2 3.83Å; M54-F60 HydrophobicContact CE-CE2 3.34Å; M54-F60 HydrophobicContact CE-CZ 4.15Å; M54-K62 HydrophobicContact CE-CB 4.03Å; M54-K62 HydrophobicContact SD-CB 3.68Å; M54-K62 PolarHBondContact SD-N 3.16Å; M54-K62 VanDerWaalsContact SD-N 3.43Å
55	K	81.2	Confident	69.7	Low	74 Å²	74	107.5 Å²	107.5	32%	0.322	54%	0.535	S	S	.	.	H	α-helix	trans	-62.2	-40.1	175.6	-166.7	-176.8	-158.6	153.2	0	111.2	E51 S52 G59 F60 E61	E51-K55 HydrophobicContact CG-CD 4.33Å; S52-K55 WeakPolarHBondContact O-CB 3.22Å; S52-K55 PolarHBondContact O-N 3.18Å; S52-K55 WeakPolarHBondContact OG-CB 3.2Å; S52-K55 PolarHBondContact OG-N 3.06Å; S52-K55 VanDerWaalsContact OG-N 3.16Å; K55-G59 WeakPolarHBondContact O-CA 3.36Å; K55-G59 PolarHBondContact O-N 2.61Å; K55-F60 WeakPolarHBondContact CA-O 3.26Å; K55-F60 PolarHBondContact N-O 2.72Å; K55-E61 HydrophobicContact CB-CG 4.08Å; K55-E61 HydrophobicContact CD-CG 4.26Å; K55-E61 WeakPolarHBondContact CD-OE1 3.23Å; K55-E61 WeakPolarHBondContact CE-OE1 3.47Å; K55-E61 HydrophobicContact CG-CG 4.27Å; K55-E61 IonicContact NZ-OE1 2.76Å; K55-E61 PolarHBondContact NZ-OE1 2.81Å
56	R	79.3	Confident	72.4	Confident	170 Å²	170	102.1 Å²	102.1	64%	0.642	52%	0.518	S	S	*	.	H	α-helix	trans	-66.2	-38.5	177.1	-168.6	176.9	69	-173.2	1.5	113.3	S52 M53 M54	S52-R56 PolarHBondContact O-N 2.94Å; M53-R56 PolarHBondContact O-N 2.77Å; M54-R56 VanDerWaalsContact C-N 3.3Å; M54-R56 PolarHBondContact O-N 3.24Å
57	L	77.1	Confident	75.3	Confident	67 Å²	67	92.5 Å²	92.5	35%	0.351	49%	0.49	S	S	.	.	H	α-helix	trans	-86.8	-40	-176.3	-72.7	178.3	0	0	0	114.1	M53 M54	M53-L57 HydrophobicContact CG-CD1 4.03Å; M53-L57 HydrophobicContact CG-CG 4.44Å; M53-L57 WeakPolarHBondContact O-CB 3.46Å; M53-L57 WeakPolarHBondContact O-CG 3.36Å; M53-L57 PolarHBondContact O-N 2.81Å; M53-L57 HydrophobicContact SD-CD1 3.37Å; M53-L57 WeakPolarHBondContact SD-CD1 3.41Å; M53-L57 HydrophobicContact SD-CG 4.31Å; M54-L57 PolarHBondContact O-N 3.43Å
58	F	77.2	Confident	78.2	Confident	88 Å²	88	93.5 Å²	93.5	39%	0.386	47%	0.473	S	S	.	.	H	α-helix	trans	-109.6	-10.4	-172.6	-64.6	-80.6	0	0	0	113	M54 F60 F291 F292	M54-F58 HydrophobicContact CG-CD2 4.16Å; M54-F58 PolarHBondContact O-N 3.43Å; F58-F60 VanDerWaalsContact C-N 3.27Å; F58-F60 HydrophobicContact CB-CD1 3.87Å; F58-F60 HydrophobicContact CB-CE1 3.61Å; F58-F60 HydrophobicContact CB-CZ 4.14Å; F58-F60 HydrophobicContact CG-CE1 4.42Å; F58-F60 VanDerWaalsContact O-CD1 3.3Å; F58-F60 WeakPolarHBondContact O-CD1 3.21Å; F58-F60 PolarHBondContact O-N 3.5Å; F58-F291 HydrophobicContact CD1-CE1 4.02Å; F58-F292 HydrophobicContact CD1-CE1 4.43Å; F58-F292 AromaticContact CE1-CE1 3.71Å; F58-F292 HydrophobicContact CE1-CE1 3.71Å; F58-F292 HydrophobicContact CE1-CZ 4.19Å; F58-F292 AromaticContact CZ-CE1 3.81Å; F58-F292 HydrophobicContact CZ-CE1 3.81Å; F58-F292 HydrophobicContact CZ-CZ 4.25Å
59	G	78.1	Confident	80.8	Confident	29 Å²	29	92.1 Å²	92.1	30%	0.299	46%	0.458	S	S	.	.	S	Bend	trans	73	15.1	-177.9	0	0	0	0	0	113.9	K55 R77	K55-G59 WeakPolarHBondContact O-CA 3.36Å; K55-G59 PolarHBondContact O-N 2.61Å; G59-R77 VanDerWaalsContact O-CZ 3.26Å; G59-R77 PolarHBondContact O-NH1 2.94Å; G59-R77 PolarHBondContact O-NH2 3.33Å
60	F	84.3	Confident	82.9	Confident	48 Å²	48	89.4 Å²	89.4	21%	0.211	44%	0.44	C	S	.	.	S	Bend	trans	-151.1	162.8	175.2	67.9	-93.9	0	0	0	111.3	M54 K55 F58 L65 L74	M54-F60 CarbonylContact C-O 3.51Å; M54-F60 HydrophobicContact CE-CD2 3.83Å; M54-F60 HydrophobicContact CE-CE2 3.34Å; M54-F60 HydrophobicContact CE-CZ 4.15Å; K55-F60 WeakPolarHBondContact CA-O 3.26Å; K55-F60 PolarHBondContact N-O 2.72Å; F58-F60 VanDerWaalsContact C-N 3.27Å; F58-F60 HydrophobicContact CB-CD1 3.87Å; F58-F60 HydrophobicContact CB-CE1 3.61Å; F58-F60 HydrophobicContact CB-CZ 4.14Å; F58-F60 HydrophobicContact CG-CE1 4.42Å; F58-F60 VanDerWaalsContact O-CD1 3.3Å; F58-F60 WeakPolarHBondContact O-CD1 3.21Å; F58-F60 PolarHBondContact O-N 3.5Å; F60-L65 HydrophobicContact CD2-CD1 4.49Å; F60-L65 HydrophobicContact CD2-CG 4.32Å; F60-L65 HydrophobicContact CE2-CD1 3.63Å; F60-L65 HydrophobicContact CE2-CD2 4.28Å; F60-L65 HydrophobicContact CE2-CG 3.91Å; F60-L65 HydrophobicContact CZ-CD1 4.29Å; F60-L74 HydrophobicContact CB-CD1 3.6Å; F60-L74 HydrophobicContact CB-CD2 3.96Å; F60-L74 HydrophobicContact CB-CG 4.45Å; F60-L74 HydrophobicContact CD2-CD2 4.19Å; F60-L74 HydrophobicContact CG-CD1 4.46Å; F60-L74 HydrophobicContact CG-CD2 4.01Å
61	E	87.6	Confident	84.8	Confident	57 Å²	57	84.5 Å²	84.5	27%	0.266	41%	0.408	S	S	.	.			trans	-100.8	156	-179.2	-73	176.6	-164.3	0	0	111.7	K55 E63 D64	K55-E61 HydrophobicContact CB-CG 4.08Å; K55-E61 HydrophobicContact CD-CG 4.26Å; K55-E61 WeakPolarHBondContact CD-OE1 3.23Å; K55-E61 WeakPolarHBondContact CE-OE1 3.47Å; K55-E61 HydrophobicContact CG-CG 4.27Å; K55-E61 IonicContact NZ-OE1 2.76Å; K55-E61 PolarHBondContact NZ-OE1 2.81Å; E61-E63 HydrophobicContact CB-CB 4.47Å; E61-E63 WeakPolarHBondContact CB-OE2 3.49Å; E61-E63 PolarHBondContact O-N 2.99Å; E61-D64 PolarHBondContact N-OD2 2.93Å; E61-D64 VanDerWaalsContact O-CB 3.31Å; E61-D64 WeakPolarHBondContact O-CB 3.41Å; E61-D64 PolarHBondContact O-N 2.8Å
62	K	85.8	Confident	85.9	Confident	150 Å²	150	78.4 Å²	78.4	65%	0.652	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-59.8	-34.3	179	-172.8	179.4	176.8	-177.8	0	111	M54 D64 L65	M54-K62 HydrophobicContact CE-CB 4.03Å; M54-K62 HydrophobicContact SD-CB 3.68Å; M54-K62 PolarHBondContact SD-N 3.16Å; M54-K62 VanDerWaalsContact SD-N 3.43Å; K62-D64 PolarHBondContact O-N 3.21Å; K62-L65 PolarHBondContact O-N 2.81Å; K62-L65 VanDerWaalsContact O-N 3.1Å
63	E	87.1	Confident	86.3	Confident	97 Å²	97	77.9 Å²	77.9	45%	0.453	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-57.9	-28.9	176.6	-70	67.9	-144.7	0	0	112.1	E61 L65 S66 R70	E61-E63 HydrophobicContact CB-CB 4.47Å; E61-E63 WeakPolarHBondContact CB-OE2 3.49Å; E61-E63 PolarHBondContact O-N 2.99Å; E63-L65 VanDerWaalsContact C-N 3.28Å; E63-L65 PolarHBondContact O-N 3.43Å; E63-S66 WeakPolarHBondContact O-CB 3.38Å; E63-S66 PolarHBondContact O-N 2.83Å; E63-S66 PolarHBondContact O-OG 2.82Å; E63-R70 WeakPolarHBondContact O-CD 3.22Å; E63-R70 PolarHBondContact O-NH1 2.73Å
64	D	86	Confident	86.9	Confident	46 Å²	46	72.6 Å²	72.6	25%	0.246	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-70.1	-26.1	178.4	-67.4	-41.6	0	0	0	112.5	E61 K62 R70 L71 L74	E61-D64 PolarHBondContact N-OD2 2.93Å; E61-D64 VanDerWaalsContact O-CB 3.31Å; E61-D64 WeakPolarHBondContact O-CB 3.41Å; E61-D64 PolarHBondContact O-N 2.8Å; K62-D64 PolarHBondContact O-N 3.21Å; D64-R70 CarbonylContact O-C 3.1Å; D64-R70 VanDerWaalsContact O-C 3.27Å; D64-R70 VanDerWaalsContact O-CB 3.23Å; D64-R70 WeakPolarHBondContact O-CB 3.36Å; D64-L71 PolarHBondContact O-N 2.8Å; D64-L71 VanDerWaalsContact O-N 3.12Å; D64-L74 HydrophobicContact CB-CB 4.32Å; D64-L74 HydrophobicContact CB-CD2 3.91Å; D64-L74 HydrophobicContact CB-CG 4.48Å
65	L	89	Confident	87.6	Confident	93 Å²	93	70.8 Å²	70.8	49%	0.487	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-90.1	-9.1	178.6	-58	-176.4	0	0	0	113.2	F60 K62 E63 S67 L71 L74	F60-L65 HydrophobicContact CD2-CD1 4.49Å; F60-L65 HydrophobicContact CD2-CG 4.32Å; F60-L65 HydrophobicContact CE2-CD1 3.63Å; F60-L65 HydrophobicContact CE2-CD2 4.28Å; F60-L65 HydrophobicContact CE2-CG 3.91Å; F60-L65 HydrophobicContact CZ-CD1 4.29Å; K62-L65 PolarHBondContact O-N 2.81Å; K62-L65 VanDerWaalsContact O-N 3.1Å; E63-L65 VanDerWaalsContact C-N 3.28Å; E63-L65 PolarHBondContact O-N 3.43Å; L65-S67 VanDerWaalsContact C-N 3.3Å; L65-S67 PolarHBondContact O-N 3.27Å; L65-L71 HydrophobicContact CD2-CD1 3.79Å; L65-L74 HydrophobicContact CD2-CD2 4.07Å
66	S	89.6	Confident	88.3	Confident	81 Å²	81	67.3 Å²	67.3	57%	0.566	33%	0.327	S	S	*	.	S	Bend	trans	-69.3	-21.4	-172.1	64.9	0	0	0	0	115	E63 R70	E63-S66 WeakPolarHBondContact O-CB 3.38Å; E63-S66 PolarHBondContact O-N 2.83Å; E63-S66 PolarHBondContact O-OG 2.82Å; S66-R70 PolarHBondContact OG-NH1 3.49Å
67	S	93.6	Very high	89	Confident	48 Å²	48	63.3 Å²	63.3	34%	0.336	31%	0.312	S	S	.	.	S	Bend	trans	-145.7	151.2	-178.6	68.2	0	0	0	0	112.1	L65 H69 R70 L71	L65-S67 VanDerWaalsContact C-N 3.3Å; L65-S67 PolarHBondContact O-N 3.27Å; S67-H69 PolarHBondContact O-N 2.76Å; S67-R70 PolarHBondContact O-N 3.07Å; S67-R70 VanDerWaalsContact O-N 3.15Å; S67-R70 WeakPolarHBondContact OG-CB 3.46Å; S67-R70 WeakPolarHBondContact OG-CG 3.35Å; S67-R70 PolarHBondContact OG-N 3.22Å; S67-L71 PolarHBondContact O-N 3.31Å
68	W	92.9	Very high	89.8	Confident	115 Å²	115	62 Å²	62	44%	0.436	31%	0.307	S	S	.	.	H	α-helix	trans	-53.8	-41.6	177	177.1	-109.6	0	0	0	112.6	L71 V72 K393 T396 L397 I400	W68-L71 PolarHBondContact O-N 3.14Å; W68-V72 HydrophobicContact CD2-CG2 4.14Å; W68-V72 HydrophobicContact CZ2-CG2 3.91Å; W68-V72 VanDerWaalsContact O-CG2 3.25Å; W68-V72 WeakPolarHBondContact O-CG2 3.37Å; W68-V72 PolarHBondContact O-N 2.92Å; W68-K393 HydrophobicContact CZ2-CB 4.35Å; W68-T396 HydrophobicContact CH2-CG2 3.75Å; W68-T396 HydrophobicContact CZ2-CG2 4.32Å; W68-T396 HydrophobicContact CZ3-CG2 3.95Å; W68-L397 HydrophobicContact CH2-CB 4.15Å; W68-I400 HydrophobicContact CH2-CD1 4.22Å; W68-I400 HydrophobicContact CZ3-CD1 3.6Å
69	H	91.6	Very high	90.6	Very high	106 Å²	106	58.6 Å²	58.6	49%	0.491	29%	0.293	S	S	.	.	H	α-helix	trans	-63.6	-45.4	179.9	179.6	58.3	0	0	0	112.1	S67 V72 C73	S67-H69 PolarHBondContact O-N 2.76Å; H69-V72 PolarHBondContact O-N 3.36Å; H69-C73 PolarHBondContact O-N 2.94Å; H69-C73 PolarHBondContact O-SG 2.73Å
70	R	91	Very high	91.3	Very high	114 Å²	114	58.4 Å²	58.4	43%	0.43	29%	0.285	S	S	.	.	H	α-helix	trans	-66.6	-39.3	178.6	-70.4	-177.4	-179.8	-177.7	-3.8	112	E63 D64 S66 S67 V72 C73 L74	E63-R70 WeakPolarHBondContact O-CD 3.22Å; E63-R70 PolarHBondContact O-NH1 2.73Å; D64-R70 CarbonylContact O-C 3.1Å; D64-R70 VanDerWaalsContact O-C 3.27Å; D64-R70 VanDerWaalsContact O-CB 3.23Å; D64-R70 WeakPolarHBondContact O-CB 3.36Å; S66-R70 PolarHBondContact OG-NH1 3.49Å; S67-R70 PolarHBondContact O-N 3.07Å; S67-R70 VanDerWaalsContact O-N 3.15Å; S67-R70 WeakPolarHBondContact OG-CB 3.46Å; S67-R70 WeakPolarHBondContact OG-CG 3.35Å; S67-R70 PolarHBondContact OG-N 3.22Å; R70-V72 VanDerWaalsContact C-N 3.34Å; R70-V72 PolarHBondContact O-N 2.85Å; R70-C73 CarbonylContact O-C 3.57Å; R70-C73 WeakPolarHBondContact O-CB 3.28Å; R70-C73 PolarHBondContact O-N 3.34Å; R70-C73 VanDerWaalsContact O-N 3.12Å; R70-L74 WeakPolarHBondContact O-CB 3.29Å; R70-L74 PolarHBondContact O-N 3.21Å
71	L	93.4	Very high	91.9	Very high	33 Å²	33	56.2 Å²	56.2	17%	0.173	28%	0.276	C	S	.	.	H	α-helix	trans	-61.7	-41.9	174.7	-178.6	61.2	0	0	0	112.1	D64 L65 S67 W68 C73 L74 L75 T396 I400	D64-L71 PolarHBondContact O-N 2.8Å; D64-L71 VanDerWaalsContact O-N 3.12Å; L65-L71 HydrophobicContact CD2-CD1 3.79Å; S67-L71 PolarHBondContact O-N 3.31Å; W68-L71 PolarHBondContact O-N 3.14Å; L71-C73 VanDerWaalsContact C-N 3.33Å; L71-L74 PolarHBondContact O-N 2.87Å; L71-L75 HydrophobicContact CD1-CD1 3.98Å; L71-L75 HydrophobicContact CD1-CG 4.22Å; L71-L75 HydrophobicContact CG-CD1 4.17Å; L71-L75 WeakPolarHBondContact O-CB 3.23Å; L71-L75 PolarHBondContact O-N 3.07Å; L71-T396 HydrophobicContact CD2-CG2 4.37Å; L71-T396 HydrophobicContact CG-CG2 4.16Å; L71-I400 HydrophobicContact CD2-CD1 3.75Å
72	V	94.1	Very high	92.2	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.012	26%	0.263	C	S	.	.	H	α-helix	trans	-62.1	-42	173.9	171.3	0	0	0	0	110.8	W68 H69 R70 N76 T388 H392 K393 T396	W68-V72 HydrophobicContact CD2-CG2 4.14Å; W68-V72 HydrophobicContact CZ2-CG2 3.91Å; W68-V72 VanDerWaalsContact O-CG2 3.25Å; W68-V72 WeakPolarHBondContact O-CG2 3.37Å; W68-V72 PolarHBondContact O-N 2.92Å; H69-V72 PolarHBondContact O-N 3.36Å; R70-V72 VanDerWaalsContact C-N 3.34Å; R70-V72 PolarHBondContact O-N 2.85Å; V72-N76 WeakPolarHBondContact O-CB 3.44Å; V72-N76 PolarHBondContact O-N 2.8Å; V72-N76 PolarHBondContact O-ND2 3.04Å; V72-T388 HydrophobicContact CG1-CG2 4.24Å; V72-H392 HydrophobicContact CG1-CB 3.93Å; V72-K393 HydrophobicContact CG1-CG 4.42Å; V72-K393 HydrophobicContact CG2-CG 4.34Å; V72-T396 HydrophobicContact CG2-CG2 3.88Å
73	C	92.8	Very high	92.6	Very high	37 Å²	37	46.4 Å²	46.4	25%	0.25	23%	0.232	C	C	.	.	H	α-helix	trans	-64.7	-43.7	175.5	-68.7	0	0	0	0	112.1	H69 R70 L71 N76 R77	H69-C73 PolarHBondContact O-N 2.94Å; H69-C73 PolarHBondContact O-SG 2.73Å; R70-C73 CarbonylContact O-C 3.57Å; R70-C73 WeakPolarHBondContact O-CB 3.28Å; R70-C73 PolarHBondContact O-N 3.34Å; R70-C73 VanDerWaalsContact O-N 3.12Å; L71-C73 VanDerWaalsContact C-N 3.33Å; C73-N76 CarbonylContact O-C 3.54Å; C73-N76 PolarHBondContact O-N 3.02Å; C73-R77 PolarHBondContact O-N 2.82Å
74	L	93.4	Very high	93.1	Very high	15 Å²	15	41.8 Å²	41.8	8%	0.079	21%	0.211	C	C	.	.	H	α-helix	trans	-59.7	-54.5	178.6	174.1	62.9	0	0	0	111.5	F60 D64 L65 R70 L71 N76 R77 L217	F60-L74 HydrophobicContact CB-CD1 3.6Å; F60-L74 HydrophobicContact CB-CD2 3.96Å; F60-L74 HydrophobicContact CB-CG 4.45Å; F60-L74 HydrophobicContact CD2-CD2 4.19Å; F60-L74 HydrophobicContact CG-CD1 4.46Å; F60-L74 HydrophobicContact CG-CD2 4.01Å; D64-L74 HydrophobicContact CB-CB 4.32Å; D64-L74 HydrophobicContact CB-CD2 3.91Å; D64-L74 HydrophobicContact CB-CG 4.48Å; L65-L74 HydrophobicContact CD2-CD2 4.07Å; R70-L74 WeakPolarHBondContact O-CB 3.29Å; R70-L74 PolarHBondContact O-N 3.21Å; L71-L74 PolarHBondContact O-N 2.87Å; L74-N76 PolarHBondContact O-N 2.82Å; L74-R77 WeakPolarHBondContact O-CB 3.37Å; L74-R77 VanDerWaalsContact O-CG 3.27Å; L74-R77 WeakPolarHBondContact O-CG 3.27Å; L74-R77 PolarHBondContact O-N 2.85Å; L74-L217 HydrophobicContact CD1-CD2 4.28Å
75	L	94.8	Very high	93.5	Very high	16 Å²	16	39.6 Å²	39.6	8%	0.084	20%	0.2	C	C	.	.	H	α-helix	trans	-68.4	-22.3	-176.9	-75.5	174.5	0	0	0	113.4	L71 L217 W218 T221 T396 T399	L71-L75 HydrophobicContact CD1-CD1 3.98Å; L71-L75 HydrophobicContact CD1-CG 4.22Å; L71-L75 HydrophobicContact CG-CD1 4.17Å; L71-L75 WeakPolarHBondContact O-CB 3.23Å; L71-L75 PolarHBondContact O-N 3.07Å; L75-L217 PolarHBondContact O-N 3.03Å; L75-W218 HydrophobicContact CB-CB 4.24Å; L75-W218 HydrophobicContact CD2-CB 4.3Å; L75-W218 PolarHBondContact O-N 3.07Å; L75-T221 HydrophobicContact CD2-CG2 4.34Å; L75-T396 HydrophobicContact CD1-CG2 3.63Å; L75-T399 HydrophobicContact CD1-CG2 4.45Å
76	N	95.6	Very high	93.9	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.011	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	11.4	177.1	-63.8	-87.8	0	0	0	113.1	V72 C73 L74 P216 C364 V365 H392 T396	V72-N76 WeakPolarHBondContact O-CB 3.44Å; V72-N76 PolarHBondContact O-N 2.8Å; V72-N76 PolarHBondContact O-ND2 3.04Å; C73-N76 CarbonylContact O-C 3.54Å; C73-N76 PolarHBondContact O-N 3.02Å; L74-N76 PolarHBondContact O-N 2.82Å; N76-P216 HydrophobicContact CB-CB 4.4Å; N76-C364 CarbonylContact O-C 3.59Å; N76-C364 WeakPolarHBondContact O-CA 3.04Å; N76-V365 HydrophobicContact CB-CB 4.21Å; N76-V365 HydrophobicContact CB-CG2 3.77Å; N76-V365 PolarHBondContact O-N 3.15Å; N76-H392 PolarHBondContact ND2-O 3.49Å; N76-T396 PolarHBondContact ND2-OG1 2.97Å; N76-T396 VanDerWaalsContact ND2-OG1 3.15Å
77	R	93.4	Very high	94.3	Very high	86 Å²	86	32 Å²	32	33%	0.325	15%	0.153	S	C	.	.	S	Bend	trans	-63.3	146.7	176.4	80.5	-180	-179.3	-170	-5.5	111	G59 C73 L74 T79 L217	G59-R77 VanDerWaalsContact O-CZ 3.26Å; G59-R77 PolarHBondContact O-NH1 2.94Å; G59-R77 PolarHBondContact O-NH2 3.33Å; C73-R77 PolarHBondContact O-N 2.82Å; L74-R77 WeakPolarHBondContact O-CB 3.37Å; L74-R77 VanDerWaalsContact O-CG 3.27Å; L74-R77 WeakPolarHBondContact O-CG 3.27Å; L74-R77 PolarHBondContact O-N 2.85Å; R77-T79 PolarHBondContact O-N 2.84Å; R77-L217 HydrophobicContact CG-CB 3.93Å; R77-L217 HydrophobicContact CG-CD2 4.28Å; R77-L217 PolarHBondContact O-N 3.32Å; R77-L217 VanDerWaalsContact O-N 3.14Å
78	P	94.1	Very high	94.4	Very high	38 Å²	38	29.8 Å²	29.8	25%	0.247	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	134.6	-179.5	27.1	-35.5	0	0	0	111.9	Q214 C364 V365 Y366	P78-Q214 HydrophobicContact CB-CB 4.16Å; P78-Q214 HydrophobicContact CB-CG 4.35Å; P78-C364 HydrophobicContact CB-CB 4.21Å; P78-V365 WeakPolarHBondContact CD-O 3.34Å; P78-Y366 HydrophobicContact CB-CE1 3.82Å; P78-Y366 HydrophobicContact CG-CD1 3.99Å; P78-Y366 HydrophobicContact CG-CE1 3.77Å
79	T	93.7	Very high	94.7	Very high	17 Å²	17	26.5 Å²	26.5	10%	0.104	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	150.5	176.9	-50.4	0	0	0	0	109.6	R77 V215 Y220 P333	R77-T79 PolarHBondContact O-N 2.84Å; T79-V215 WeakPolarHBondContact CB-O 3.4Å; T79-V215 PolarHBondContact N-O 3.15Å; T79-V215 PolarHBondContact O-N 3.33Å; T79-Y220 HydrophobicContact CG2-CD2 3.79Å; T79-Y220 HydrophobicContact CG2-CE2 3.58Å; T79-P333 HydrophobicContact CG2-CB 3.78Å; T79-P333 HydrophobicContact CG2-CG 3.56Å
80	D	94.6	Very high	94.9	Very high	25 Å²	25	23.6 Å²	23.6	13%	0.134	11%	0.114	C	C	.	.			trans	-61.9	133.2	178.1	-164.5	-61.1	0	0	0	111.1	A82 Y220 P333 D334 R337 P358	D80-A82 VanDerWaalsContact C-N 3.33Å; D80-A82 PolarHBondContact O-N 3.3Å; D80-A82 WeakPolarHBondContact OD1-CB 3.37Å; D80-A82 PolarHBondContact OD1-N 2.68Å; D80-Y220 WeakPolarHBondContact O-CE2 3.18Å; D80-Y220 PolarHBondContact O-OH 3.32Å; D80-P333 HydrophobicContact CB-CB 4Å; D80-D334 HydrophobicContact CB-CB 4.3Å; D80-R337 IonicContact OD1-CZ 2.77Å; D80-R337 IonicContact OD1-NE 2.75Å; D80-R337 PolarHBondContact OD1-NE 2.83Å; D80-R337 IonicContact OD1-NH2 2.67Å; D80-R337 PolarHBondContact OD1-NH2 3.23Å; D80-R337 IonicContact OD2-CZ 3.17Å; D80-R337 IonicContact OD2-NE 2.97Å; D80-R337 PolarHBondContact OD2-NE 3.08Å; D80-R337 IonicContact OD2-NH2 3.9Å; D80-R337 PolarHBondContact OD2-NH2 2.95Å; D80-P358 HydrophobicContact CB-CG 4.49Å; D80-P358 WeakPolarHBondContact OD2-CG 3.4Å
81	P	95.1	Very high	95.2	Very high	2 Å²	2	18.2 Å²	18.2	1%	0.013	9%	0.094	C	C	.	.	S	Bend	trans	-79.3	-7.3	-179.2	35.2	-40.8	0	0	0	114.8	L84 G85 R198 Y199 S213 V215	P81-L84 PolarHBondContact O-N 3.2Å; P81-G85 PolarHBondContact O-N 2.74Å; P81-R198 HydrophobicContact CB-CB 4.11Å; P81-Y199 HydrophobicContact CG-CD2 4.42Å; P81-Y199 WeakPolarHBondContact O-CB 3.27Å; P81-S213 WeakPolarHBondContact CB-O 3.47Å; P81-S213 VanDerWaalsContact CG-O 3.29Å; P81-S213 WeakPolarHBondContact CG-O 3.48Å; P81-V215 HydrophobicContact CB-CG1 4.05Å; P81-V215 HydrophobicContact CB-CG2 4.34Å
82	A	94.4	Very high	95.4	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-61.2	-55.1	-166.5	0	0	0	0	0	113.3	D80 L84 G85 I86 Y199 P336 R337	D80-A82 VanDerWaalsContact C-N 3.33Å; D80-A82 PolarHBondContact O-N 3.3Å; D80-A82 WeakPolarHBondContact OD1-CB 3.37Å; D80-A82 PolarHBondContact OD1-N 2.68Å; A82-L84 VanDerWaalsContact C-N 3.3Å; A82-L84 PolarHBondContact O-N 2.92Å; A82-G85 PolarHBondContact O-N 3.4Å; A82-G85 VanDerWaalsContact O-N 3.14Å; A82-I86 PolarHBondContact O-N 2.97Å; A82-Y199 HydrophobicContact CB-CD1 4.17Å; A82-Y199 HydrophobicContact CB-CD2 4.11Å; A82-Y199 HydrophobicContact CB-CE1 3.87Å; A82-Y199 HydrophobicContact CB-CE2 3.83Å; A82-Y199 HydrophobicContact CB-CG 4.26Å; A82-Y199 WeakPolarHBondContact O-CD1 3.33Å; A82-P336 HydrophobicContact CB-CB 4.2Å; A82-P336 HydrophobicContact CB-CG 3.9Å; A82-R337 HydrophobicContact CB-CG 4.22Å
83	S	95.3	Very high	95.6	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.007	10%	0.101	C	C	.	.	H	α-helix	trans	-61.3	-38.4	-178.9	-175.9	0	0	0	0	112.3	G85 I86 F87 P328 P333 W335	S83-G85 VanDerWaalsContact C-N 3.35Å; S83-I86 PolarHBondContact O-N 3.38Å; S83-F87 WeakPolarHBondContact O-CB 3.4Å; S83-F87 PolarHBondContact O-N 3.22Å; S83-P328 PolarHBondContact OG-O 2.71Å; S83-P333 WeakPolarHBondContact CB-O 3.38Å; S83-P333 PolarHBondContact N-O 3.39Å; S83-W335 PolarHBondContact OG-NE1 2.83Å
84	L	96.4	Very high	95.7	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-64.5	-38.9	176.4	-177.3	62.8	0	0	0	111.9	P81 A82 F87 R88 A196 V215 N219 Y220 L223	P81-L84 PolarHBondContact O-N 3.2Å; A82-L84 VanDerWaalsContact C-N 3.3Å; A82-L84 PolarHBondContact O-N 2.92Å; L84-F87 HydrophobicContact CD1-CD1 4.4Å; L84-F87 PolarHBondContact O-N 2.84Å; L84-R88 WeakPolarHBondContact O-CB 3.39Å; L84-R88 PolarHBondContact O-N 2.71Å; L84-A196 HydrophobicContact CD1-CB 4.12Å; L84-A196 HydrophobicContact CD2-CB 4.03Å; L84-A196 HydrophobicContact CG-CB 3.72Å; L84-V215 HydrophobicContact CD2-CG1 4.36Å; L84-V215 HydrophobicContact CD2-CG2 4.29Å; L84-N219 HydrophobicContact CD2-CB 3.95Å; L84-Y220 HydrophobicContact CB-CE1 4Å; L84-Y220 HydrophobicContact CB-CE2 4.43Å; L84-Y220 WeakPolarHBondContact CB-OH 3.47Å; L84-Y220 PolarHBondContact N-OH 2.86Å; L84-L223 HydrophobicContact CD1-CD1 3.51Å
85	G	95.8	Very high	95.9	Very high	1 Å²	1	18 Å²	18	1%	0.01	9%	0.088	C	C	.	.	H	α-helix	trans	-65.7	-39.9	175.6	0	0	0	0	0	113.4	P81 A82 S83 R88 F89	P81-G85 PolarHBondContact O-N 2.74Å; A82-G85 PolarHBondContact O-N 3.4Å; A82-G85 VanDerWaalsContact O-N 3.14Å; S83-G85 VanDerWaalsContact C-N 3.35Å; G85-R88 PolarHBondContact O-NH2 2.88Å; G85-F89 PolarHBondContact O-N 2.98Å; G85-F89 VanDerWaalsContact O-N 3.13Å
86	I	96.3	Very high	95.9	Very high	11 Å²	11	17.9 Å²	17.9	6%	0.056	9%	0.09	C	C	.	.	H	α-helix	trans	-66.8	-45.6	174.3	-62.1	-56	0	0	0	111.1	A82 S83 R88 F89 L90 Y199 W200 W335 P336 F340 P352	A82-I86 PolarHBondContact O-N 2.97Å; S83-I86 PolarHBondContact O-N 3.38Å; I86-R88 VanDerWaalsContact C-N 3.33Å; I86-R88 PolarHBondContact O-N 3.07Å; I86-F89 WeakPolarHBondContact O-CB 3.35Å; I86-F89 PolarHBondContact O-N 3.34Å; I86-F89 VanDerWaalsContact O-N 3.13Å; I86-L90 HydrophobicContact CG2-CD1 3.94Å; I86-L90 HydrophobicContact CG2-CG 4.26Å; I86-L90 WeakPolarHBondContact O-CG 3.32Å; I86-L90 PolarHBondContact O-N 3.17Å; I86-Y199 HydrophobicContact CD1-CE1 4.23Å; I86-Y199 HydrophobicContact CG1-CE1 4.41Å; I86-W200 HydrophobicContact CD1-CE3 3.81Å; I86-W200 HydrophobicContact CD1-CZ3 4.11Å; I86-W335 HydrophobicContact CB-CZ2 4.4Å; I86-W335 HydrophobicContact CG2-CH2 4.12Å; I86-W335 HydrophobicContact CG2-CZ2 4.01Å; I86-P336 HydrophobicContact CD1-CB 4.49Å; I86-P336 HydrophobicContact CG1-CB 3.78Å; I86-P336 HydrophobicContact CG1-CG 3.73Å; I86-F340 HydrophobicContact CD1-CE2 3.94Å; I86-P352 HydrophobicContact CD1-CB 4.37Å; I86-P352 HydrophobicContact CD1-CG 3.8Å
87	F	97.4	Very high	95.8	Very high	4 Å²	4	20.6 Å²	20.6	2%	0.018	10%	0.104	C	C	.	.	H	α-helix	trans	-56.3	-47.2	175.7	168	-107.5	0	0	0	111.9	S83 L84 F89 L90 F91 I187 L191 L223 T326 L329	S83-F87 WeakPolarHBondContact O-CB 3.4Å; S83-F87 PolarHBondContact O-N 3.22Å; L84-F87 HydrophobicContact CD1-CD1 4.4Å; L84-F87 PolarHBondContact O-N 2.84Å; F87-F89 VanDerWaalsContact C-N 3.31Å; F87-F89 PolarHBondContact O-N 3.15Å; F87-L90 PolarHBondContact O-N 3.07Å; F87-F91 HydrophobicContact CE2-CB 4.3Å; F87-F91 HydrophobicContact CZ-CB 4.31Å; F87-F91 VanDerWaalsContact O-CB 3.3Å; F87-F91 WeakPolarHBondContact O-CB 3.41Å; F87-F91 PolarHBondContact O-N 2.97Å; F87-I187 HydrophobicContact CE1-CG2 4.09Å; F87-I187 HydrophobicContact CZ-CG2 3.66Å; F87-L191 HydrophobicContact CD1-CD2 4.47Å; F87-L191 HydrophobicContact CE1-CD2 4.14Å; F87-L223 HydrophobicContact CD1-CD1 3.78Å; F87-L223 HydrophobicContact CE1-CD1 3.64Å; F87-L223 HydrophobicContact CE1-CD2 3.62Å; F87-L223 HydrophobicContact CE1-CG 4.28Å; F87-L223 HydrophobicContact CZ-CD2 3.93Å; F87-T326 HydrophobicContact CD2-CG2 4.46Å; F87-T326 HydrophobicContact CE2-CG2 3.66Å; F87-T326 HydrophobicContact CZ-CG2 4.5Å; F87-L329 HydrophobicContact CB-CD1 4.41Å; F87-L329 HydrophobicContact CB-CD2 3.54Å; F87-L329 HydrophobicContact CB-CG 3.97Å; F87-L329 HydrophobicContact CD1-CD1 4.14Å; F87-L329 HydrophobicContact CD1-CD2 4.13Å; F87-L329 HydrophobicContact CD2-CD1 3.5Å; F87-L329 VanDerWaalsContact CD2-CD1 3.5Å; F87-L329 HydrophobicContact CD2-CD2 4.23Å; F87-L329 HydrophobicContact CD2-CG 3.85Å; F87-L329 HydrophobicContact CE1-CD1 4.29Å; F87-L329 HydrophobicContact CE2-CD1 3.68Å; F87-L329 HydrophobicContact CG-CD1 3.73Å; F87-L329 HydrophobicContact CG-CD2 3.7Å; F87-L329 HydrophobicContact CG-CG 3.85Å; F87-L329 HydrophobicContact CZ-CD1 4.06Å
88	R	97.5	Very high	95.8	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-55.1	-46.1	175.2	174.8	-160.4	53.8	69.3	5.2	111.7	L84 G85 I86 G92 I149 M150 Y155 A196 Y199 W200	L84-R88 WeakPolarHBondContact O-CB 3.39Å; L84-R88 PolarHBondContact O-N 2.71Å; G85-R88 PolarHBondContact O-NH2 2.88Å; I86-R88 VanDerWaalsContact C-N 3.33Å; I86-R88 PolarHBondContact O-N 3.07Å; R88-G92 PolarHBondContact O-N 3.16Å; R88-I149 VanDerWaalsContact CD-O 3.3Å; R88-I149 WeakPolarHBondContact CD-O 3.25Å; R88-I149 HydrophobicContact CG-CG2 3.93Å; R88-I149 WeakPolarHBondContact CG-O 3.24Å; R88-I149 PolarHBondContact NH1-O 3.33Å; R88-M150 PolarHBondContact NH1-O 3.18Å; R88-Y155 HydrophobicContact CG-CE2 4.08Å; R88-A196 HydrophobicContact CB-CB 3.96Å; R88-A196 VanDerWaalsContact CD-O 3.29Å; R88-A196 WeakPolarHBondContact CD-O 3.44Å; R88-A196 HydrophobicContact CG-CB 4.2Å; R88-A196 PolarHBondContact NE-O 2.76Å; R88-Y199 PolarHBondContact NH2-O 3.46Å; R88-W200 PolarHBondContact NH2-O 2.86Å
89	F	97.4	Very high	95.8	Very high	47 Å²	47	14.8 Å²	14.8	21%	0.206	8%	0.077	C	C	.	.	H	α-helix	trans	-60.9	-52.1	178.2	-179.9	-84.9	0	0	0	111.1	G85 I86 F87 F91 G92 M93 M150 W200	G85-F89 PolarHBondContact O-N 2.98Å; G85-F89 VanDerWaalsContact O-N 3.13Å; I86-F89 WeakPolarHBondContact O-CB 3.35Å; I86-F89 PolarHBondContact O-N 3.34Å; I86-F89 VanDerWaalsContact O-N 3.13Å; F87-F89 VanDerWaalsContact C-N 3.31Å; F87-F89 PolarHBondContact O-N 3.15Å; F89-F91 PolarHBondContact O-N 3.01Å; F89-G92 PolarHBondContact O-N 3.46Å; F89-M93 HydrophobicContact CE1-SD 4.32Å; F89-M93 WeakPolarHBondContact O-CB 3.48Å; F89-M93 PolarHBondContact O-N 3.2Å; F89-M150 HydrophobicContact CD2-CG 3.85Å; F89-M150 WeakPolarHBondContact CD2-O 3.41Å; F89-M150 HydrophobicContact CE2-CG 3.9Å; F89-M150 HydrophobicContact CE2-SD 4.48Å; F89-M150 HydrophobicContact CG-CG 4.23Å; F89-M150 HydrophobicContact CZ-CG 4.34Å; F89-M150 WeakPolarHBondContact O-CG 3.19Å; F89-W200 HydrophobicContact CB-CE3 4.02Å; F89-W200 HydrophobicContact CB-CZ3 3.73Å; F89-W200 HydrophobicContact CD1-CH2 4.08Å; F89-W200 AromaticContact CD1-CZ3 3.63Å; F89-W200 HydrophobicContact CD1-CZ3 3.63Å; F89-W200 AromaticContact CD2-CE3 3.89Å; F89-W200 HydrophobicContact CD2-CE3 3.89Å; F89-W200 AromaticContact CD2-CH2 3.69Å; F89-W200 HydrophobicContact CD2-CH2 3.69Å; F89-W200 AromaticContact CD2-CZ3 3.3Å; F89-W200 HydrophobicContact CD2-CZ3 3.3Å; F89-W200 AromaticContact CE1-CH2 3.99Å; F89-W200 HydrophobicContact CE1-CH2 3.99Å; F89-W200 HydrophobicContact CE1-CZ3 4.04Å; F89-W200 AromaticContact CE2-CH2 3.6Å; F89-W200 HydrophobicContact CE2-CH2 3.6Å; F89-W200 HydrophobicContact CE2-CZ2 4.36Å; F89-W200 AromaticContact CE2-CZ3 3.75Å; F89-W200 HydrophobicContact CE2-CZ3 3.75Å; F89-W200 AromaticContact CG-CE3 3.97Å; F89-W200 HydrophobicContact CG-CE3 3.97Å; F89-W200 AromaticContact CG-CH2 3.95Å; F89-W200 HydrophobicContact CG-CH2 3.95Å; F89-W200 AromaticContact CG-CZ3 3.26Å; F89-W200 HydrophobicContact CG-CZ3 3.26Å; F89-W200 AromaticContact CZ-CH2 3.76Å; F89-W200 HydrophobicContact CZ-CH2 3.76Å; F89-W200 HydrophobicContact CZ-CZ3 4.1Å
90	L	97.3	Very high	95.5	Very high	44 Å²	44	14.9 Å²	14.9	23%	0.23	8%	0.078	C	C	.	.	H	α-helix	trans	-63	-43.9	-178.5	-65.8	175.2	0	0	0	112.2	I86 F87 M93 I94 A325	I86-L90 HydrophobicContact CG2-CD1 3.94Å; I86-L90 HydrophobicContact CG2-CG 4.26Å; I86-L90 WeakPolarHBondContact O-CG 3.32Å; I86-L90 PolarHBondContact O-N 3.17Å; F87-L90 PolarHBondContact O-N 3.07Å; L90-M93 HydrophobicContact CD2-CE 4.07Å; L90-M93 PolarHBondContact O-N 3.38Å; L90-I94 VanDerWaalsContact O-CG1 3.32Å; L90-I94 WeakPolarHBondContact O-CG1 3.47Å; L90-I94 PolarHBondContact O-N 2.95Å; L90-A325 HydrophobicContact CB-CB 3.93Å; L90-A325 HydrophobicContact CD1-CB 4.29Å
91	F	97.6	Very high	95	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.009	8%	0.083	C	C	.	.	H	α-helix	trans	-61.3	-48.9	176.7	178.8	-99.2	0	0	0	111.4	F87 F89 M93 I94 M95 F162 Y184 I187 L191 T322	F87-F91 HydrophobicContact CE2-CB 4.3Å; F87-F91 HydrophobicContact CZ-CB 4.31Å; F87-F91 VanDerWaalsContact O-CB 3.3Å; F87-F91 WeakPolarHBondContact O-CB 3.41Å; F87-F91 PolarHBondContact O-N 2.97Å; F89-F91 PolarHBondContact O-N 3.01Å; F91-M93 VanDerWaalsContact C-N 3.32Å; F91-M93 PolarHBondContact O-N 3.27Å; F91-I94 PolarHBondContact O-N 2.97Å; F91-M95 HydrophobicContact CD1-CG 4.1Å; F91-M95 HydrophobicContact CD2-CG 4.31Å; F91-M95 HydrophobicContact CE1-CG 3.68Å; F91-M95 HydrophobicContact CE2-CE 4.25Å; F91-M95 HydrophobicContact CE2-CG 3.91Å; F91-M95 HydrophobicContact CE2-SD 4.1Å; F91-M95 HydrophobicContact CG-CG 4.41Å; F91-M95 HydrophobicContact CZ-CG 3.57Å; F91-M95 HydrophobicContact CZ-SD 3.93Å; F91-M95 WeakPolarHBondContact O-CB 3.4Å; F91-M95 VanDerWaalsContact O-CG 3.28Å; F91-M95 WeakPolarHBondContact O-CG 3.4Å; F91-M95 PolarHBondContact O-N 2.86Å; F91-F162 HydrophobicContact CE1-CE1 4.48Å; F91-Y184 HydrophobicContact CE2-CD1 4.47Å; F91-I187 HydrophobicContact CD1-CG2 4.19Å; F91-I187 HydrophobicContact CD2-CG2 3.73Å; F91-I187 HydrophobicContact CE1-CG2 3.97Å; F91-I187 HydrophobicContact CE2-CB 3.86Å; F91-I187 HydrophobicContact CE2-CD1 4.26Å; F91-I187 HydrophobicContact CE2-CG2 3.48Å; F91-I187 VanDerWaalsContact CE2-CG2 3.48Å; F91-I187 HydrophobicContact CG-CG2 4.08Å; F91-I187 HydrophobicContact CZ-CB 3.96Å; F91-I187 HydrophobicContact CZ-CG2 3.61Å; F91-L191 HydrophobicContact CD1-CD1 3.55Å; F91-L191 HydrophobicContact CE1-CD1 3.84Å; F91-L191 HydrophobicContact CG-CD1 4.34Å; F91-T322 HydrophobicContact CD2-CG2 4.37Å
92	G	97.5	Very high	94.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-61.4	-38.9	177.9	0	0	0	0	0	112.8	R88 F89 M95 A96	R88-G92 PolarHBondContact O-N 3.16Å; F89-G92 PolarHBondContact O-N 3.46Å; G92-M95 PolarHBondContact O-N 2.95Å; G92-A96 WeakPolarHBondContact O-CB 3.38Å; G92-A96 PolarHBondContact O-N 3.17Å
93	M	96.8	Very high	94.1	Very high	70 Å²	70	22.2 Å²	22.2	35%	0.345	11%	0.11	S	C	.	.	H	α-helix	trans	-62.8	-49.2	175.3	-178.7	-174.6	70.4	0	0	111.6	F89 L90 F91 M95 A96 I97 M150	F89-M93 HydrophobicContact CE1-SD 4.32Å; F89-M93 WeakPolarHBondContact O-CB 3.48Å; F89-M93 PolarHBondContact O-N 3.2Å; L90-M93 HydrophobicContact CD2-CE 4.07Å; L90-M93 PolarHBondContact O-N 3.38Å; F91-M93 VanDerWaalsContact C-N 3.32Å; F91-M93 PolarHBondContact O-N 3.27Å; M93-M95 VanDerWaalsContact C-N 3.34Å; M93-M95 PolarHBondContact O-N 2.8Å; M93-A96 PolarHBondContact O-N 2.98Å; M93-I97 HydrophobicContact CG-CD1 4.32Å; M93-I97 WeakPolarHBondContact O-CG1 3.48Å; M93-I97 PolarHBondContact O-N 2.93Å; M93-I97 VanDerWaalsContact O-N 3.08Å; M93-M150 HydrophobicContact CB-CG 4.14Å; M93-M150 HydrophobicContact CB-SD 3.72Å; M93-M150 HydrophobicContact CG-SD 4.21Å
94	I	96.5	Very high	93.5	Very high	10 Å²	10	22.7 Å²	22.7	5%	0.051	12%	0.115	C	C	.	.	H	α-helix	trans	-62.6	-43	178.7	-69.6	169.4	0	0	0	110.3	L90 F91 A96 I97 D98 M318 Y321 T322 A325	L90-I94 VanDerWaalsContact O-CG1 3.32Å; L90-I94 WeakPolarHBondContact O-CG1 3.47Å; L90-I94 PolarHBondContact O-N 2.95Å; F91-I94 PolarHBondContact O-N 2.97Å; I94-A96 VanDerWaalsContact C-N 3.34Å; I94-A96 PolarHBondContact O-N 3.14Å; I94-I97 PolarHBondContact O-N 2.86Å; I94-D98 WeakPolarHBondContact O-CB 3.32Å; I94-D98 PolarHBondContact O-N 2.72Å; I94-M318 HydrophobicContact CG2-CB 3.99Å; I94-M318 HydrophobicContact CG2-CE 3.81Å; I94-Y321 WeakPolarHBondContact CD1-O 3.48Å; I94-T322 WeakPolarHBondContact CG2-OG1 3.48Å; I94-A325 HydrophobicContact CD1-CB 3.49Å; I94-A325 VanDerWaalsContact CD1-CB 3.49Å
95	M	96.7	Very high	93.1	Very high	1 Å²	1	23 Å²	23	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-63.6	-36.6	175.9	-68.9	-59.3	96.9	0	0	112.6	F91 G92 M93 D98 I99 A146 F162 Y184	F91-M95 HydrophobicContact CD1-CG 4.1Å; F91-M95 HydrophobicContact CD2-CG 4.31Å; F91-M95 HydrophobicContact CE1-CG 3.68Å; F91-M95 HydrophobicContact CE2-CE 4.25Å; F91-M95 HydrophobicContact CE2-CG 3.91Å; F91-M95 HydrophobicContact CE2-SD 4.1Å; F91-M95 HydrophobicContact CG-CG 4.41Å; F91-M95 HydrophobicContact CZ-CG 3.57Å; F91-M95 HydrophobicContact CZ-SD 3.93Å; F91-M95 WeakPolarHBondContact O-CB 3.4Å; F91-M95 VanDerWaalsContact O-CG 3.28Å; F91-M95 WeakPolarHBondContact O-CG 3.4Å; F91-M95 PolarHBondContact O-N 2.86Å; G92-M95 PolarHBondContact O-N 2.95Å; M93-M95 VanDerWaalsContact C-N 3.34Å; M93-M95 PolarHBondContact O-N 2.8Å; M95-D98 HydrophobicContact CE-CB 4.3Å; M95-D98 WeakPolarHBondContact O-CB 3.27Å; M95-D98 PolarHBondContact O-N 3Å; M95-I99 WeakPolarHBondContact O-CD1 3.33Å; M95-I99 WeakPolarHBondContact O-CG1 3.27Å; M95-I99 PolarHBondContact O-N 3.31Å; M95-A146 HydrophobicContact CB-CB 4Å; M95-F162 HydrophobicContact CB-CE2 4.03Å; M95-F162 HydrophobicContact CB-CZ 4.25Å; M95-F162 HydrophobicContact CG-CE2 4.22Å; M95-F162 HydrophobicContact CG-CZ 3.9Å; M95-F162 HydrophobicContact SD-CZ 3.95Å; M95-Y184 HydrophobicContact CE-CD1 3.91Å; M95-Y184 HydrophobicContact CE-CD2 3.98Å; M95-Y184 HydrophobicContact CE-CE1 4.12Å; M95-Y184 HydrophobicContact CE-CE2 4.11Å; M95-Y184 HydrophobicContact CE-CG 3.82Å; M95-Y184 HydrophobicContact SD-CD2 4.27Å; M95-Y184 HydrophobicContact SD-CG 4Å
96	A	95.4	Very high	92.5	Very high	15 Å²	15	23 Å²	23	12%	0.124	12%	0.117	C	C	.	.	H	α-helix	trans	-63.9	-42.8	174.7	0	0	0	0	0	111.8	G92 M93 I94 T100 L143 A146 V147	G92-A96 WeakPolarHBondContact O-CB 3.38Å; G92-A96 PolarHBondContact O-N 3.17Å; M93-A96 PolarHBondContact O-N 2.98Å; I94-A96 VanDerWaalsContact C-N 3.34Å; I94-A96 PolarHBondContact O-N 3.14Å; A96-T100 PolarHBondContact O-N 3.37Å; A96-L143 HydrophobicContact CB-CD1 3.98Å; A96-A146 HydrophobicContact CB-CB 4.36Å; A96-V147 HydrophobicContact CB-CG2 4.08Å
97	I	93	Very high	92.1	Very high	59 Å²	59	26.6 Å²	26.6	30%	0.303	13%	0.133	S	C	.	.	H	α-helix	trans	-63.2	-48.8	175.2	-66.3	167.9	0	0	0	110.1	M93 I94 I99 T100 Q101 M318	M93-I97 HydrophobicContact CG-CD1 4.32Å; M93-I97 WeakPolarHBondContact O-CG1 3.48Å; M93-I97 PolarHBondContact O-N 2.93Å; M93-I97 VanDerWaalsContact O-N 3.08Å; I94-I97 PolarHBondContact O-N 2.86Å; I97-I99 VanDerWaalsContact C-N 3.35Å; I97-I99 PolarHBondContact O-N 3.07Å; I97-T100 PolarHBondContact O-N 3.42Å; I97-T100 VanDerWaalsContact O-N 3.11Å; I97-T100 PolarHBondContact O-OG1 2.88Å; I97-Q101 HydrophobicContact CG2-CG 4.22Å; I97-Q101 WeakPolarHBondContact O-CG 3.36Å; I97-Q101 PolarHBondContact O-N 2.83Å; I97-M318 HydrophobicContact CB-CE 4.29Å; I97-M318 HydrophobicContact CG2-CE 3.86Å; I97-M318 HydrophobicContact CG2-SD 4.21Å
98	D	93.2	Very high	91.7	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-56.4	-42.9	-178.9	176.7	84.5	0	0	0	113.9	I94 M95 T100 Q101 E102 R103 M318	I94-D98 WeakPolarHBondContact O-CB 3.32Å; I94-D98 PolarHBondContact O-N 2.72Å; M95-D98 HydrophobicContact CE-CB 4.3Å; M95-D98 WeakPolarHBondContact O-CB 3.27Å; M95-D98 PolarHBondContact O-N 3Å; D98-T100 VanDerWaalsContact C-N 3.29Å; D98-T100 PolarHBondContact O-N 2.98Å; D98-Q101 PolarHBondContact O-N 2.84Å; D98-E102 PolarHBondContact O-N 2.81Å; D98-R103 PolarHBondContact O-N 3.23Å; D98-R103 IonicContact OD1-CZ 2.92Å; D98-R103 IonicContact OD1-NE 3.84Å; D98-R103 IonicContact OD1-NH1 3.29Å; D98-R103 PolarHBondContact OD1-NH1 2.91Å; D98-R103 IonicContact OD1-NH2 2.65Å; D98-R103 PolarHBondContact OD1-NH2 2.95Å; D98-R103 WeakPolarHBondContact OD2-CD 3.31Å; D98-R103 IonicContact OD2-CZ 3.52Å; D98-R103 IonicContact OD2-NE 2.68Å; D98-R103 PolarHBondContact OD2-NE 2.89Å; D98-R103 IonicContact OD2-NH1 3.59Å; D98-R103 PolarHBondContact OD2-NH1 2.79Å; D98-R103 VanDerWaalsContact OD2-NH1 3.14Å; D98-R103 IonicContact OD2-NH2 2.76Å; D98-R103 PolarHBondContact OD2-NH2 2.9Å; D98-M318 HydrophobicContact CB-CB 4.37Å; D98-M318 HydrophobicContact CB-CG 3.79Å; D98-M318 WeakPolarHBondContact OD1-CG 3.48Å
99	I	92.9	Very high	91.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.8	-42	176.7	-69	162.6	0	0	0	110.9	M95 I97 L105 Y139 M142 L143 A146 F162	M95-I99 WeakPolarHBondContact O-CD1 3.33Å; M95-I99 WeakPolarHBondContact O-CG1 3.27Å; M95-I99 PolarHBondContact O-N 3.31Å; I97-I99 VanDerWaalsContact C-N 3.35Å; I97-I99 PolarHBondContact O-N 3.07Å; I99-L105 WeakPolarHBondContact O-CB 3.5Å; I99-L105 PolarHBondContact O-N 2.86Å; I99-Y139 HydrophobicContact CG2-CD1 4.11Å; I99-M142 HydrophobicContact CB-CE 4.36Å; I99-M142 HydrophobicContact CD1-CB 4.28Å; I99-M142 HydrophobicContact CD1-CE 4.21Å; I99-M142 HydrophobicContact CD1-CG 3.69Å; I99-M142 HydrophobicContact CD1-SD 4.3Å; I99-M142 HydrophobicContact CG1-CE 3.77Å; I99-M142 HydrophobicContact CG1-CG 4.26Å; I99-M142 HydrophobicContact CG1-SD 4.22Å; I99-M142 HydrophobicContact CG2-CE 3.8Å; I99-L143 HydrophobicContact CB-CD1 4.44Å; I99-L143 HydrophobicContact CD1-CD1 4.49Å; I99-L143 HydrophobicContact CG2-CB 4.24Å; I99-L143 HydrophobicContact CG2-CD1 4.46Å; I99-A146 HydrophobicContact CD1-CB 3.8Å; I99-F162 HydrophobicContact CD1-CD2 4.48Å; I99-F162 HydrophobicContact CD1-CE2 4.21Å
100	T	87.6	Confident	90.8	Very high	19 Å²	19	31.2 Å²	31.2	12%	0.117	15%	0.152	C	C	.	.	H	α-helix	trans	-73	-33.5	-179.5	63.5	0	0	0	0	113.1	A96 I97 D98 L105 L143 L726	A96-T100 PolarHBondContact O-N 3.37Å; I97-T100 PolarHBondContact O-N 3.42Å; I97-T100 VanDerWaalsContact O-N 3.11Å; I97-T100 PolarHBondContact O-OG1 2.88Å; D98-T100 VanDerWaalsContact C-N 3.29Å; D98-T100 PolarHBondContact O-N 2.98Å; T100-L105 HydrophobicContact CG2-CD2 4.42Å; T100-L143 HydrophobicContact CG2-CD1 4.35Å; T100-L143 HydrophobicContact CG2-CD2 4.48Å; T100-L726 HydrophobicContact CG2-CD2 4.47Å
101	Q	84.4	Confident	90.3	Very high	51 Å²	51	32.9 Å²	32.9	24%	0.238	16%	0.157	C	C	.	.	H	α-helix	trans	-102.2	-66.1	-170.7	-60.2	-172.4	14.6	0	0	112.9	I97 D98 M725	I97-Q101 HydrophobicContact CG2-CG 4.22Å; I97-Q101 WeakPolarHBondContact O-CG 3.36Å; I97-Q101 PolarHBondContact O-N 2.83Å; D98-Q101 PolarHBondContact O-N 2.84Å; Q101-M725 HydrophobicContact CB-SD 4.48Å; Q101-M725 HydrophobicContact CG-CE 4.41Å; Q101-M725 HydrophobicContact CG-SD 3.82Å
102	E	84.5	Confident	89.8	Confident	101 Å²	101	33.5 Å²	33.5	47%	0.472	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-39.9	-170	-66.3	-58.2	136.1	0	0	112.3	D98 G104 G317 M318	D98-E102 PolarHBondContact O-N 2.81Å; E102-G104 PolarHBondContact O-N 3.36Å; E102-G317 VanDerWaalsContact CD-CA 3.44Å; E102-G317 WeakPolarHBondContact OE2-CA 3.49Å; E102-M318 HydrophobicContact CG-CG 4Å
103	R	87.1	Confident	89.2	Confident	29 Å²	29	36 Å²	36	11%	0.109	17%	0.173	C	C	.	.	S	Bend	trans	-78.5	-9	177.4	-80.7	50.7	166.4	-165.7	-34.9	112.5	D98 Y139 Y166 Y184	D98-R103 PolarHBondContact O-N 3.23Å; D98-R103 IonicContact OD1-CZ 2.92Å; D98-R103 IonicContact OD1-NE 3.84Å; D98-R103 IonicContact OD1-NH1 3.29Å; D98-R103 PolarHBondContact OD1-NH1 2.91Å; D98-R103 IonicContact OD1-NH2 2.65Å; D98-R103 PolarHBondContact OD1-NH2 2.95Å; D98-R103 WeakPolarHBondContact OD2-CD 3.31Å; D98-R103 IonicContact OD2-CZ 3.52Å; D98-R103 IonicContact OD2-NE 2.68Å; D98-R103 PolarHBondContact OD2-NE 2.89Å; D98-R103 IonicContact OD2-NH1 3.59Å; D98-R103 PolarHBondContact OD2-NH1 2.79Å; D98-R103 VanDerWaalsContact OD2-NH1 3.14Å; D98-R103 IonicContact OD2-NH2 2.76Å; D98-R103 PolarHBondContact OD2-NH2 2.9Å; R103-Y139 HydrophobicContact CB-CE1 3.84Å; R103-Y139 VanDerWaalsContact O-CE1 3.32Å; R103-Y139 WeakPolarHBondContact O-CE1 3.49Å; R103-Y139 PolarHBondContact O-OH 2.84Å; R103-Y166 PolarHBondContact NH2-OH 3.29Å; R103-Y184 VanDerWaalsContact NH2-CE2 3.3Å
104	G	81.9	Confident	88.5	Confident	12 Å²	12	37 Å²	37	12%	0.124	18%	0.18	C	C	.	.			trans	77.5	37.3	166.1	0	0	0	0	0	115	E102 S106 H107 L108	E102-G104 PolarHBondContact O-N 3.36Å; G104-S106 PolarHBondContact O-N 2.64Å; G104-S106 VanDerWaalsContact O-N 3.12Å; G104-H107 CarbonylContact O-C 3.6Å; G104-H107 PolarHBondContact O-N 2.94Å; G104-L108 VanDerWaalsContact O-CD2 3.26Å; G104-L108 WeakPolarHBondContact O-CD2 3.41Å; G104-L108 WeakPolarHBondContact O-CG 3.26Å; G104-L108 PolarHBondContact O-N 3.32Å; G104-L108 VanDerWaalsContact O-N 3.12Å
105	L	87.8	Confident	87.6	Confident	6 Å²	6	40.2 Å²	40.2	3%	0.031	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-51.4	-35.2	171.1	179.3	54.2	0	0	0	111.6	I99 T100 H107 L108 Y136 Y139 L143 A729	I99-L105 WeakPolarHBondContact O-CB 3.5Å; I99-L105 PolarHBondContact O-N 2.86Å; T100-L105 HydrophobicContact CG2-CD2 4.42Å; L105-H107 PolarHBondContact O-N 3.08Å; L105-L108 HydrophobicContact CD1-CD1 3.81Å; L105-L108 HydrophobicContact CD1-CG 4.48Å; L105-Y136 HydrophobicContact CD1-CD1 3.88Å; L105-Y136 HydrophobicContact CD1-CE1 4.16Å; L105-Y139 HydrophobicContact CB-CD1 4.09Å; L105-Y139 HydrophobicContact CD1-CD1 4.2Å; L105-Y139 HydrophobicContact CD1-CG 4.24Å; L105-L143 HydrophobicContact CD2-CD2 4.31Å; L105-A729 HydrophobicContact CG-CB 4.39Å
106	S	84.8	Confident	86.9	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.007	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-72.9	-6	176.6	72.6	0	0	0	0	114.8	G104 R728	G104-S106 PolarHBondContact O-N 2.64Å; G104-S106 VanDerWaalsContact O-N 3.12Å; S106-R728 WeakPolarHBondContact O-CD 3.24Å; S106-R728 PolarHBondContact O-NH1 2.82Å
107	H	87.3	Confident	86.4	Confident	86 Å²	86	44.3 Å²	44.3	40%	0.398	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-144.7	28	-172.6	-64.8	-61.6	0	0	0	113	G104 L105 D109 Y110 K111	G104-H107 CarbonylContact O-C 3.6Å; G104-H107 PolarHBondContact O-N 2.94Å; L105-H107 PolarHBondContact O-N 3.08Å; H107-D109 VanDerWaalsContact C-N 3.26Å; H107-D109 PolarHBondContact O-N 2.88Å; H107-Y110 HydrophobicContact CB-CD2 4.05Å; H107-Y110 AromaticContact ND1-CD2 3.66Å; H107-Y110 AromaticContact ND1-CE2 3.8Å; H107-Y110 PolarHBondContact O-N 2.75Å; H107-K111 PolarHBondContact O-N 3.34Å; H107-K111 VanDerWaalsContact O-N 3.08Å
108	L	89.3	Confident	86.3	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62	-34.1	-177.5	-63.2	-177.7	0	0	0	113.2	G104 L105 K111 Y112 L132 Y136 Y139	G104-L108 VanDerWaalsContact O-CD2 3.26Å; G104-L108 WeakPolarHBondContact O-CD2 3.41Å; G104-L108 WeakPolarHBondContact O-CG 3.26Å; G104-L108 PolarHBondContact O-N 3.32Å; G104-L108 VanDerWaalsContact O-N 3.12Å; L105-L108 HydrophobicContact CD1-CD1 3.81Å; L105-L108 HydrophobicContact CD1-CG 4.48Å; L108-K111 PolarHBondContact O-N 3.35Å; L108-Y112 HydrophobicContact CB-CD2 4.34Å; L108-Y112 HydrophobicContact CD2-CD2 4.45Å; L108-Y112 HydrophobicContact CD2-CE2 4.04Å; L108-Y112 WeakPolarHBondContact O-CD2 3.44Å; L108-Y112 PolarHBondContact O-N 2.91Å; L108-L132 HydrophobicContact CB-CD1 4.3Å; L108-Y136 HydrophobicContact CB-CE1 4.31Å; L108-Y136 HydrophobicContact CB-CE2 4.05Å; L108-Y136 HydrophobicContact CD1-CD1 3.73Å; L108-Y136 HydrophobicContact CD1-CD2 4.27Å; L108-Y136 HydrophobicContact CD1-CE1 3.81Å; L108-Y136 HydrophobicContact CD1-CE2 4.35Å; L108-Y136 HydrophobicContact CD1-CG 3.95Å; L108-Y136 HydrophobicContact CG-CE1 4.24Å; L108-Y139 HydrophobicContact CD1-CD1 4.29Å; L108-Y139 HydrophobicContact CD1-CD2 3.89Å; L108-Y139 HydrophobicContact CD1-CE2 4.25Å; L108-Y139 HydrophobicContact CD1-CG 3.91Å; L108-Y139 HydrophobicContact CD2-CD1 4.04Å; L108-Y139 HydrophobicContact CD2-CD2 4.07Å; L108-Y139 HydrophobicContact CD2-CE1 3.56Å; L108-Y139 HydrophobicContact CD2-CE2 3.61Å; L108-Y139 HydrophobicContact CD2-CG 4.27Å
109	D	87.9	Confident	86.2	Confident	27 Å²	27	43.1 Å²	43.1	14%	0.144	24%	0.239	C	C	.	.	H	α-helix	trans	-60	-43.8	175.6	57.5	-41.8	0	0	0	112.1	H107 L113 L132 R728 M732	H107-D109 VanDerWaalsContact C-N 3.26Å; H107-D109 PolarHBondContact O-N 2.88Å; D109-L113 WeakPolarHBondContact O-CA 3.44Å; D109-L113 PolarHBondContact O-N 3.35Å; D109-L132 HydrophobicContact CB-CD2 4.03Å; D109-R728 VanDerWaalsContact CG-NH2 3.34Å; D109-R728 IonicContact OD1-CZ 2.93Å; D109-R728 IonicContact OD1-NH1 3.1Å; D109-R728 PolarHBondContact OD1-NH1 2.68Å; D109-R728 IonicContact OD1-NH2 3.63Å; D109-R728 PolarHBondContact OD1-NH2 3.39Å; D109-R728 IonicContact OD2-CZ 2.76Å; D109-R728 IonicContact OD2-NH1 3.88Å; D109-R728 IonicContact OD2-NH2 3.97Å; D109-R728 PolarHBondContact OD2-NH2 3.41Å; D109-M732 HydrophobicContact CB-CE 4.29Å
110	Y	86.7	Confident	86.1	Confident	121 Å²	121	47.2 Å²	47.2	48%	0.475	26%	0.255	S	S	.	.	H	α-helix	trans	-71.7	-29.6	174.2	-60.9	-65.4	0	0	0	113.2	H107 L113	H107-Y110 HydrophobicContact CB-CD2 4.05Å; H107-Y110 AromaticContact ND1-CD2 3.66Å; H107-Y110 AromaticContact ND1-CE2 3.8Å; H107-Y110 PolarHBondContact O-N 2.75Å; Y110-L113 WeakPolarHBondContact O-CG 3.24Å
111	K	87.3	Confident	86.4	Confident	80 Å²	80	46.4 Å²	46.4	35%	0.348	25%	0.25	S	C	.	.	H	α-helix	trans	-74.7	-48	-179.9	-179.4	175.4	178.2	177.5	0	111.9	H107 L108 Y139	H107-K111 PolarHBondContact O-N 3.34Å; H107-K111 VanDerWaalsContact O-N 3.08Å; L108-K111 PolarHBondContact O-N 3.35Å; K111-Y139 PolarHBondContact NZ-OH 3.21Å
112	Y	88.1	Confident	86.8	Confident	14 Å²	14	44.8 Å²	44.8	6%	0.055	24%	0.244	C	C	.	.	H	α-helix	trans	-92.9	-22.3	-172.6	-70.9	-72.3	0	0	0	113.3	L108 D114 R120 P129 M135 Y139	L108-Y112 HydrophobicContact CB-CD2 4.34Å; L108-Y112 HydrophobicContact CD2-CD2 4.45Å; L108-Y112 HydrophobicContact CD2-CE2 4.04Å; L108-Y112 WeakPolarHBondContact O-CD2 3.44Å; L108-Y112 PolarHBondContact O-N 2.91Å; Y112-D114 VanDerWaalsContact C-N 3.33Å; Y112-D114 PolarHBondContact O-N 3.43Å; Y112-R120 PolarHBondContact O-NH2 2.88Å; Y112-P129 HydrophobicContact CD1-CB 3.81Å; Y112-P129 HydrophobicContact CD1-CG 4.39Å; Y112-P129 HydrophobicContact CE1-CB 4.04Å; Y112-M135 HydrophobicContact CD2-CE 4.47Å; Y112-M135 HydrophobicContact CE1-CE 3.86Å; Y112-M135 HydrophobicContact CE2-CE 3.71Å; Y112-M135 WeakPolarHBondContact OH-CE 3.19Å; Y112-Y139 HydrophobicContact CE2-CE2 4.33Å
113	L	84.9	Confident	87.1	Confident	53 Å²	53	41.1 Å²	41.1	28%	0.277	23%	0.227	S	C	.	.			trans	42.8	59.6	177	-64.9	170.9	0	0	0	111.6	D109 Y110 G115 A116 V118 Q465	D109-L113 WeakPolarHBondContact O-CA 3.44Å; D109-L113 PolarHBondContact O-N 3.35Å; Y110-L113 WeakPolarHBondContact O-CG 3.24Å; L113-G115 PolarHBondContact O-N 3.48Å; L113-A116 HydrophobicContact CB-CB 4.08Å; L113-A116 WeakPolarHBondContact O-CB 3.34Å; L113-A116 PolarHBondContact O-N 2.97Å; L113-A116 VanDerWaalsContact O-N 3.07Å; L113-V118 HydrophobicContact CB-CG2 4.07Å; L113-V118 HydrophobicContact CD1-CG2 4.04Å; L113-Q465 HydrophobicContact CD1-CG 4.26Å
114	D	81	Confident	87.3	Confident	92 Å²	92	44.1 Å²	44.1	49%	0.492	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	135.1	-173.4	-161	10.7	0	0	0	111.1	Y112 A116 L132	Y112-D114 VanDerWaalsContact C-N 3.33Å; Y112-D114 PolarHBondContact O-N 3.43Å; D114-A116 VanDerWaalsContact C-N 3.27Å; D114-A116 PolarHBondContact O-N 3.45Å; D114-L132 HydrophobicContact CB-CB 3.89Å; D114-L132 WeakPolarHBondContact OD2-CB 3.13Å; D114-L132 PolarHBondContact OD2-N 3.39Å
115	G	76.9	Confident	87.4	Confident	77 Å²	77	48.7 Å²	48.7	79%	0.794	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.1	-8.7	-174.7	0	0	0	0	0	116.9	L113	L113-G115 PolarHBondContact O-N 3.48Å
116	A	83.7	Confident	87.4	Confident	42 Å²	42	56 Å²	56	35%	0.347	30%	0.303	S	S	.	.	S	Bend	trans	-83.4	147.6	174.6	0	0	0	0	0	111.9	L113 D114 V118	L113-A116 HydrophobicContact CB-CB 4.08Å; L113-A116 WeakPolarHBondContact O-CB 3.34Å; L113-A116 PolarHBondContact O-N 2.97Å; L113-A116 VanDerWaalsContact O-N 3.07Å; D114-A116 VanDerWaalsContact C-N 3.27Å; D114-A116 PolarHBondContact O-N 3.45Å; A116-V118 HydrophobicContact CB-CG2 3.84Å; A116-V118 PolarHBondContact O-N 3.31Å
117	P	84.4	Confident	87.8	Confident	60 Å²	60	57.3 Å²	57.3	39%	0.39	31%	0.31	S	S	.	.			trans	-73.6	68.8	177.8	31.7	-35.7	0	0	0	111.2	F463 H486	P117-F463 HydrophobicContact CB-CD1 4.44Å; P117-F463 HydrophobicContact CB-CE1 4.48Å; P117-F463 HydrophobicContact CG-CD1 4.39Å; P117-F463 HydrophobicContact CG-CE1 4.29Å; P117-F463 WeakPolarHBondContact O-CD1 3.31Å; P117-H486 VanDerWaalsContact CB-CE1 3.48Å; P117-H486 WeakPolarHBondContact CB-CE1 3.13Å
118	V	90.2	Very high	87.9	Confident	30 Å²	30	60.1 Å²	60.1	18%	0.182	32%	0.323	C	S	.	.			trans	-100.3	128.2	-177.2	-175.8	0	0	0	0	110.6	L113 A116 R120 F463	L113-V118 HydrophobicContact CB-CG2 4.07Å; L113-V118 HydrophobicContact CD1-CG2 4.04Å; A116-V118 HydrophobicContact CB-CG2 3.84Å; A116-V118 PolarHBondContact O-N 3.31Å; V118-R120 PolarHBondContact O-NH1 2.89Å; V118-F463 CarbonylContact C-O 3.51Å; V118-F463 WeakPolarHBondContact CA-O 3.38Å
119	C	92.1	Very high	88.1	Confident	4 Å²	4	61.8 Å²	61.8	3%	0.027	33%	0.334	C	S	.	.			trans	-74.1	126.7	170	-63.7	0	0	0	0	111	F463 Y479 C482	C119-F463 HydrophobicContact CB-CB 4.46Å; C119-F463 WeakPolarHBondContact CB-O 3.15Å; C119-F463 PolarHBondContact N-O 3.24Å; C119-Y479 HydrophobicContact CB-CD2 3.57Å; C119-Y479 HydrophobicContact CB-CE2 3.76Å; C119-C482 WeakPolarHBondContact CA-SG 3.46Å; C119-C482 HydrophobicContact CB-CB 3.7Å; C119-C482 WeakPolarHBondContact CB-SG 3.35Å; C119-C482 WeakPolarHBondContact SG-CB 3.39Å; C119-C482 CovalentContact SG-SG 2.03Å; C119-C482 PolarHBondContact SG-SG 3.45Å
120	R	91.2	Very high	88.4	Confident	86 Å²	86	64.1 Å²	64.1	33%	0.325	35%	0.346	S	S	.	.			trans	-119.3	159.2	-176.8	-62.2	-176	-178.2	86.3	-7.2	110.7	Y112 V118 P122	Y112-R120 PolarHBondContact O-NH2 2.88Å; V118-R120 PolarHBondContact O-NH1 2.89Å; R120-P122 VanDerWaalsContact C-CD 3.42Å; R120-P122 WeakPolarHBondContact O-CD 3.31Å
121	F	93	Very high	88.7	Confident	3 Å²	3	61.7 Å²	61.7	1%	0.013	35%	0.345	C	S	.	.			trans	-124.8	62.1	-171.6	-53.3	-85.1	0	0	0	112.3	K174 T175 T464 W469 M475 Q478 Y479	F121-K174 WeakPolarHBondContact O-CB 3.45Å; F121-K174 WeakPolarHBondContact O-CE 3.23Å; F121-K174 WeakPolarHBondContact O-CG 3.3Å; F121-K174 PolarHBondContact O-N 2.95Å; F121-T175 HydrophobicContact CB-CG2 3.87Å; F121-T175 HydrophobicContact CD2-CG2 3.31Å; F121-T175 HydrophobicContact CE2-CG2 4.02Å; F121-T175 HydrophobicContact CG-CG2 3.71Å; F121-T464 WeakPolarHBondContact CE2-OG1 3.39Å; F121-W469 HydrophobicContact CD1-CB 4.33Å; F121-W469 HydrophobicContact CE1-CB 3.52Å; F121-W469 HydrophobicContact CE1-CG 4.25Å; F121-W469 HydrophobicContact CE2-CB 4.46Å; F121-W469 HydrophobicContact CZ-CB 3.59Å; F121-W469 AromaticContact CZ-CD1 3.87Å; F121-W469 AromaticContact CZ-CG 3.91Å; F121-W469 HydrophobicContact CZ-CG 3.91Å; F121-M475 HydrophobicContact CB-CG 4.46Å; F121-M475 HydrophobicContact CD1-CB 3.68Å; F121-M475 HydrophobicContact CD1-CG 4.12Å; F121-M475 HydrophobicContact CE1-CB 4.06Å; F121-M475 VanDerWaalsContact CE1-O 3.3Å; F121-M475 WeakPolarHBondContact CE1-O 3.36Å; F121-Q478 VanDerWaalsContact CA-OE1 3.23Å; F121-Q478 HydrophobicContact CD1-CB 4.1Å; F121-Y479 HydrophobicContact CZ-CD2 4.33Å; F121-Y479 HydrophobicContact CZ-CG 4.45Å
122	P	93.4	Very high	89	Confident	16 Å²	16	59.5 Å²	59.5	10%	0.104	34%	0.337	C	S	.	.			trans	-68.9	153.4	178.4	32.4	-36.6	0	0	0	110.9	R120 F124 L127 L172 K174 Q478	R120-P122 VanDerWaalsContact C-CD 3.42Å; R120-P122 WeakPolarHBondContact O-CD 3.31Å; P122-F124 VanDerWaalsContact C-N 3.35Å; P122-F124 WeakPolarHBondContact CB-O 3.41Å; P122-L127 HydrophobicContact CB-CB 4.3Å; P122-L172 WeakPolarHBondContact CA-O 3.42Å; P122-K174 WeakPolarHBondContact O-CE 3.45Å; P122-K174 PolarHBondContact O-NZ 2.95Å; P122-Q478 PolarHBondContact O-NE2 3.33Å
123	L	91.3	Very high	89.2	Confident	25 Å²	25	60.4 Å²	60.4	13%	0.131	34%	0.343	C	S	.	.	S	Bend	trans	-63.7	-45.8	172.7	-179.1	63.4	0	0	0	110.8	F171 K174 W177	L123-F171 HydrophobicContact CB-CD1 4.48Å; L123-F171 HydrophobicContact CD2-CD1 3.68Å; L123-F171 HydrophobicContact CD2-CE1 3.96Å; L123-F171 PolarHBondContact N-O 3.07Å; L123-K174 HydrophobicContact CB-CD 4.44Å; L123-K174 HydrophobicContact CB-CG 4.28Å; L123-K174 HydrophobicContact CD1-CD 4.09Å; L123-W177 HydrophobicContact CB-CH2 3.79Å; L123-W177 HydrophobicContact CB-CZ2 3.81Å; L123-W177 HydrophobicContact CD1-CH2 3.53Å; L123-W177 HydrophobicContact CD1-CZ2 4.4Å; L123-W177 HydrophobicContact CD1-CZ3 4.18Å; L123-W177 HydrophobicContact CD2-CH2 3.62Å; L123-W177 HydrophobicContact CD2-CZ2 4.16Å; L123-W177 HydrophobicContact CG-CH2 3.8Å; L123-W177 HydrophobicContact CG-CZ2 4.31Å
124	F	89.9	Confident	89.7	Confident	91 Å²	91	63.7 Å²	63.7	40%	0.399	35%	0.353	S	S	.	.	S	Bend	trans	-106.3	126	177.4	-54.8	-66.8	0	0	0	109.7	P122 F126 L127 F171	P122-F124 VanDerWaalsContact C-N 3.35Å; P122-F124 WeakPolarHBondContact CB-O 3.41Å; F124-F126 HydrophobicContact CB-CD1 3.85Å; F124-F126 HydrophobicContact CB-CE1 3.43Å; F124-F126 VanDerWaalsContact CB-CE1 3.43Å; F124-F126 HydrophobicContact CB-CE2 4.41Å; F124-F126 HydrophobicContact CB-CZ 3.74Å; F124-F126 HydrophobicContact CD1-CE1 4.37Å; F124-F126 HydrophobicContact CD2-CZ 4.37Å; F124-F126 AromaticContact CG-CE1 3.95Å; F124-F126 HydrophobicContact CG-CE1 3.95Å; F124-F126 HydrophobicContact CG-CZ 4.08Å; F124-F126 PolarHBondContact O-N 3.36Å; F124-F126 VanDerWaalsContact O-N 3.1Å; F124-L127 WeakPolarHBondContact O-CB 3.43Å; F124-L127 PolarHBondContact O-N 2.99Å; F124-F171 HydrophobicContact CD2-CB 4.47Å; F124-F171 HydrophobicContact CE2-CD1 4.44Å; F124-F171 HydrophobicContact CE2-CD2 4.27Å; F124-F171 HydrophobicContact CE2-CG 4.21Å
125	S	84.7	Confident	90.4	Very high	109 Å²	109	59.3 Å²	59.3	76%	0.762	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-22.9	-173.2	53.9	0	0	0	0	114.9	L127	S125-L127 VanDerWaalsContact C-N 3.33Å
126	F	88.2	Confident	91.3	Very high	159 Å²	159	55.8 Å²	55.8	70%	0.697	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-14.8	176.9	65.7	-99.9	0	0	0	113.3	F124	F124-F126 HydrophobicContact CB-CD1 3.85Å; F124-F126 HydrophobicContact CB-CE1 3.43Å; F124-F126 VanDerWaalsContact CB-CE1 3.43Å; F124-F126 HydrophobicContact CB-CE2 4.41Å; F124-F126 HydrophobicContact CB-CZ 3.74Å; F124-F126 HydrophobicContact CD1-CE1 4.37Å; F124-F126 HydrophobicContact CD2-CZ 4.37Å; F124-F126 AromaticContact CG-CE1 3.95Å; F124-F126 HydrophobicContact CG-CE1 3.95Å; F124-F126 HydrophobicContact CG-CZ 4.08Å; F124-F126 PolarHBondContact O-N 3.36Å; F124-F126 VanDerWaalsContact O-N 3.1Å
127	L	91.9	Very high	91.9	Very high	29 Å²	29	56.6 Å²	56.6	15%	0.152	29%	0.29	C	S	.	.			trans	-82.4	124.8	-176.3	-158	73.2	0	0	0	109.7	P122 F124 S125 Y168 F171 L172	P122-L127 HydrophobicContact CB-CB 4.3Å; F124-L127 WeakPolarHBondContact O-CB 3.43Å; F124-L127 PolarHBondContact O-N 2.99Å; S125-L127 VanDerWaalsContact C-N 3.33Å; L127-Y168 HydrophobicContact CD1-CD2 4.09Å; L127-Y168 HydrophobicContact CD1-CE2 3.88Å; L127-Y168 HydrophobicContact CD2-CD2 4.49Å; L127-Y168 HydrophobicContact CG-CE2 4.29Å; L127-F171 VanDerWaalsContact CD2-C 3.49Å; L127-F171 HydrophobicContact CD2-CB 3.61Å; L127-L172 HydrophobicContact CD2-CB 4.45Å; L127-L172 HydrophobicContact CD2-CD2 3.85Å; L127-L172 HydrophobicContact CD2-CG 3.92Å; L127-L172 HydrophobicContact CG-CD2 3.69Å; L127-L172 HydrophobicContact CG-CG 4.28Å
128	Q	90.9	Very high	92.5	Very high	145 Å²	145	54.7 Å²	54.7	68%	0.678	28%	0.277	S	S	*	.			trans	-131.7	147.7	178.6	-68.2	-173.6	-22.8	0	0	109.6	Y168 L172	Q128-Y168 PolarHBondContact O-OH 3.49Å; Q128-L172 VanDerWaalsContact C-CD2 3.4Å
129	P	92.4	Very high	92.8	Very high	35 Å²	35	53.2 Å²	53.2	23%	0.227	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-62.1	145.8	175.1	27.7	-34.1	0	0	0	109.9	Y112 M135	Y112-P129 HydrophobicContact CD1-CB 3.81Å; Y112-P129 HydrophobicContact CD1-CG 4.39Å; Y112-P129 HydrophobicContact CE1-CB 4.04Å; P129-M135 HydrophobicContact CB-SD 4.43Å
130	L	93.7	Very high	93	Very high	75 Å²	75	54 Å²	54	39%	0.393	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-70.7	164.4	169.8	-64.2	170.1	0	0	0	109.2	M135 V138 Y168	L130-M135 HydrophobicContact CB-CG 4.17Å; L130-M135 HydrophobicContact CB-SD 3.85Å; L130-M135 HydrophobicContact CG-SD 4.4Å; L130-M135 PolarHBondContact N-SD 3.38Å; L130-M135 WeakPolarHBondContact O-CG 3.3Å; L130-V138 HydrophobicContact CD1-CG2 4.05Å; L130-Y168 WeakPolarHBondContact CG-OH 3.49Å; L130-Y168 PolarHBondContact N-OH 2.9Å
131	P	93.4	Very high	93.3	Very high	71 Å²	71	52 Å²	52	46%	0.461	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-52.3	150	170.1	-23.6	33	0	0	0	111.2	D133 Y134 M135	P131-D133 VanDerWaalsContact C-N 3.28Å; P131-D133 PolarHBondContact O-N 2.89Å; P131-D133 VanDerWaalsContact O-N 3.1Å; P131-Y134 HydrophobicContact CB-CD2 4.17Å; P131-Y134 HydrophobicContact CG-CD2 4.21Å; P131-Y134 WeakPolarHBondContact O-CA 3.46Å; P131-Y134 WeakPolarHBondContact O-CB 3.31Å; P131-Y134 PolarHBondContact O-N 3.28Å; P131-M135 PolarHBondContact O-N 3.11Å; P131-M135 VanDerWaalsContact O-N 3.1Å
132	L	92.8	Very high	93.5	Very high	34 Å²	34	51.9 Å²	51.9	18%	0.178	27%	0.27	C	S	.	.	H	α-helix	trans	-51.5	-44.2	-166.6	-176.1	60.2	0	0	0	113.7	L108 D109 D114 Y134 M135 Y136	L108-L132 HydrophobicContact CB-CD1 4.3Å; D109-L132 HydrophobicContact CB-CD2 4.03Å; D114-L132 HydrophobicContact CB-CB 3.89Å; D114-L132 WeakPolarHBondContact OD2-CB 3.13Å; D114-L132 PolarHBondContact OD2-N 3.39Å; L132-Y134 VanDerWaalsContact C-N 3.33Å; L132-Y134 PolarHBondContact O-N 3.14Å; L132-M135 WeakPolarHBondContact O-CA 3.29Å; L132-M135 WeakPolarHBondContact O-CB 3.22Å; L132-M135 PolarHBondContact O-N 2.98Å; L132-Y136 HydrophobicContact CD1-CD2 4.38Å; L132-Y136 HydrophobicContact CD1-CE2 3.98Å; L132-Y136 HydrophobicContact CD2-CE2 4.49Å; L132-Y136 HydrophobicContact CG-CD2 4.24Å; L132-Y136 HydrophobicContact CG-CE2 3.97Å; L132-Y136 WeakPolarHBondContact O-CD2 3.2Å; L132-Y136 PolarHBondContact O-N 3.45Å
133	D	94.1	Very high	93.7	Very high	33 Å²	33	53.1 Å²	53.1	18%	0.176	28%	0.275	C	S	.	.	H	α-helix	trans	-63	-38.2	-179.1	-67.7	-27	0	0	0	112.3	P131 M135 Y136 L137 A736 N739 L740	P131-D133 VanDerWaalsContact C-N 3.28Å; P131-D133 PolarHBondContact O-N 2.89Å; P131-D133 VanDerWaalsContact O-N 3.1Å; D133-M135 VanDerWaalsContact C-N 3.33Å; D133-Y136 WeakPolarHBondContact O-CB 3.42Å; D133-Y136 PolarHBondContact O-N 3.18Å; D133-L137 PolarHBondContact O-N 2.93Å; D133-A736 HydrophobicContact CB-CB 4.2Å; D133-A736 WeakPolarHBondContact OD1-CA 3.17Å; D133-A736 WeakPolarHBondContact OD1-CB 3.09Å; D133-N739 PolarHBondContact OD1-ND2 3.38Å; D133-N739 WeakPolarHBondContact OD2-CB 3.48Å; D133-N739 PolarHBondContact OD2-ND2 2.8Å; D133-L740 HydrophobicContact CB-CD2 3.86Å; D133-L740 HydrophobicContact CB-CG 3.94Å
134	Y	95.1	Very high	94	Very high	122 Å²	122	58.2 Å²	58.2	48%	0.478	30%	0.296	S	S	.	.	H	α-helix	trans	-69.1	-31.6	173.5	-74.7	-84.4	0	0	0	112.1	P131 L132 Y136 L137 V138 L740	P131-Y134 HydrophobicContact CB-CD2 4.17Å; P131-Y134 HydrophobicContact CG-CD2 4.21Å; P131-Y134 WeakPolarHBondContact O-CA 3.46Å; P131-Y134 WeakPolarHBondContact O-CB 3.31Å; P131-Y134 PolarHBondContact O-N 3.28Å; L132-Y134 VanDerWaalsContact C-N 3.33Å; L132-Y134 PolarHBondContact O-N 3.14Å; Y134-Y136 VanDerWaalsContact C-N 3.34Å; Y134-L137 WeakPolarHBondContact O-CB 3.29Å; Y134-L137 PolarHBondContact O-N 3.31Å; Y134-V138 WeakPolarHBondContact O-CG2 3.42Å; Y134-V138 PolarHBondContact O-N 3.14Å; Y134-L740 HydrophobicContact CD1-CD2 4.12Å; Y134-L740 HydrophobicContact CD2-CD2 3.82Å; Y134-L740 HydrophobicContact CE1-CD2 3.96Å; Y134-L740 HydrophobicContact CE2-CD2 3.65Å; Y134-L740 HydrophobicContact CG-CD2 4.06Å
135	M	95.4	Very high	94.4	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-65.6	-37.6	173.4	-67.4	-58.8	-65	0	0	111.6	Y112 P129 L130 P131 L132 D133 L137 V138 Y139 Y168 L172	Y112-M135 HydrophobicContact CD2-CE 4.47Å; Y112-M135 HydrophobicContact CE1-CE 3.86Å; Y112-M135 HydrophobicContact CE2-CE 3.71Å; Y112-M135 WeakPolarHBondContact OH-CE 3.19Å; P129-M135 HydrophobicContact CB-SD 4.43Å; L130-M135 HydrophobicContact CB-CG 4.17Å; L130-M135 HydrophobicContact CB-SD 3.85Å; L130-M135 HydrophobicContact CG-SD 4.4Å; L130-M135 PolarHBondContact N-SD 3.38Å; L130-M135 WeakPolarHBondContact O-CG 3.3Å; P131-M135 PolarHBondContact O-N 3.11Å; P131-M135 VanDerWaalsContact O-N 3.1Å; L132-M135 WeakPolarHBondContact O-CA 3.29Å; L132-M135 WeakPolarHBondContact O-CB 3.22Å; L132-M135 PolarHBondContact O-N 2.98Å; D133-M135 VanDerWaalsContact C-N 3.33Å; M135-L137 VanDerWaalsContact C-N 3.34Å; M135-L137 PolarHBondContact O-N 2.85Å; M135-V138 PolarHBondContact O-N 3.46Å; M135-Y139 HydrophobicContact CE-CE2 4.48Å; M135-Y139 VanDerWaalsContact O-CD2 3.31Å; M135-Y139 WeakPolarHBondContact O-CD2 3.24Å; M135-Y139 PolarHBondContact O-N 3.48Å; M135-Y139 VanDerWaalsContact O-N 3.1Å; M135-Y168 HydrophobicContact CE-CE1 4.25Å; M135-Y168 HydrophobicContact SD-CE1 4.05Å; M135-L172 HydrophobicContact CE-CD1 3.76Å; M135-L172 HydrophobicContact SD-CD1 4.48Å
136	Y	95.4	Very high	95	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.008	24%	0.242	C	C	.	.	H	α-helix	trans	-59.4	-44.3	169.4	-83.6	-81.5	0	0	0	111.7	L105 L108 L132 D133 Y134 V138 Y139 V140 M732 A736	L105-Y136 HydrophobicContact CD1-CD1 3.88Å; L105-Y136 HydrophobicContact CD1-CE1 4.16Å; L108-Y136 HydrophobicContact CB-CE1 4.31Å; L108-Y136 HydrophobicContact CB-CE2 4.05Å; L108-Y136 HydrophobicContact CD1-CD1 3.73Å; L108-Y136 HydrophobicContact CD1-CD2 4.27Å; L108-Y136 HydrophobicContact CD1-CE1 3.81Å; L108-Y136 HydrophobicContact CD1-CE2 4.35Å; L108-Y136 HydrophobicContact CD1-CG 3.95Å; L108-Y136 HydrophobicContact CG-CE1 4.24Å; L132-Y136 HydrophobicContact CD1-CD2 4.38Å; L132-Y136 HydrophobicContact CD1-CE2 3.98Å; L132-Y136 HydrophobicContact CD2-CE2 4.49Å; L132-Y136 HydrophobicContact CG-CD2 4.24Å; L132-Y136 HydrophobicContact CG-CE2 3.97Å; L132-Y136 WeakPolarHBondContact O-CD2 3.2Å; L132-Y136 PolarHBondContact O-N 3.45Å; D133-Y136 WeakPolarHBondContact O-CB 3.42Å; D133-Y136 PolarHBondContact O-N 3.18Å; Y134-Y136 VanDerWaalsContact C-N 3.34Å; Y136-V138 PolarHBondContact O-N 2.9Å; Y136-Y139 PolarHBondContact O-N 3.06Å; Y136-V140 WeakPolarHBondContact O-CG2 3.24Å; Y136-V140 PolarHBondContact O-N 3.03Å; Y136-M732 HydrophobicContact CE1-CB 3.79Å; Y136-M732 WeakPolarHBondContact OH-CB 3.45Å; Y136-A736 HydrophobicContact CD1-CB 4.5Å; Y136-A736 HydrophobicContact CD2-CB 3.65Å; Y136-A736 HydrophobicContact CG-CB 3.66Å
137	L	96.4	Very high	95.5	Very high	60 Å²	60	43.4 Å²	43.4	31%	0.314	22%	0.222	S	C	.	.	H	α-helix	trans	-59	-45.4	175.8	176.6	63.4	0	0	0	112.2	D133 Y134 M135 Y139 V140 V141 M737 L740	D133-L137 PolarHBondContact O-N 2.93Å; Y134-L137 WeakPolarHBondContact O-CB 3.29Å; Y134-L137 PolarHBondContact O-N 3.31Å; M135-L137 VanDerWaalsContact C-N 3.34Å; M135-L137 PolarHBondContact O-N 2.85Å; L137-Y139 VanDerWaalsContact C-N 3.3Å; L137-Y139 PolarHBondContact O-N 3.14Å; L137-V140 PolarHBondContact O-N 3.13Å; L137-V141 HydrophobicContact CD1-CG2 4.24Å; L137-V141 WeakPolarHBondContact O-CG2 3.27Å; L137-V141 PolarHBondContact O-N 2.93Å; L137-M737 HydrophobicContact CB-SD 4.29Å; L137-M737 HydrophobicContact CD1-CE 3.94Å; L137-M737 HydrophobicContact CD1-SD 3.92Å; L137-L740 HydrophobicContact CB-CD1 3.93Å; L137-L740 HydrophobicContact CD2-CD1 4.22Å
138	V	97	Very high	95.8	Very high	19 Å²	19	42.4 Å²	42.4	12%	0.115	22%	0.219	C	C	.	.	H	α-helix	trans	-56.7	-45.4	176.6	170.4	0	0	0	0	110.9	L130 Y134 M135 Y136 V141 M142 T165 Y168 I169	L130-V138 HydrophobicContact CD1-CG2 4.05Å; Y134-V138 WeakPolarHBondContact O-CG2 3.42Å; Y134-V138 PolarHBondContact O-N 3.14Å; M135-V138 PolarHBondContact O-N 3.46Å; Y136-V138 PolarHBondContact O-N 2.9Å; V138-V141 PolarHBondContact O-N 2.82Å; V138-M142 WeakPolarHBondContact O-CB 3.48Å; V138-M142 PolarHBondContact O-N 3.44Å; V138-T165 HydrophobicContact CG1-CG2 3.91Å; V138-Y168 HydrophobicContact CG1-CD1 3.99Å; V138-Y168 HydrophobicContact CG1-CE1 4.34Å; V138-Y168 HydrophobicContact CG2-CE1 4.41Å; V138-I169 HydrophobicContact CG1-CD1 3.96Å; V138-I169 HydrophobicContact CG1-CG1 4.16Å
139	Y	96.3	Very high	96.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-68	-35.7	178.3	-88.1	-113.4	0	0	0	113.1	I99 R103 L105 L108 K111 Y112 M135 Y136 L137 M142 L143 I169	I99-Y139 HydrophobicContact CG2-CD1 4.11Å; R103-Y139 HydrophobicContact CB-CE1 3.84Å; R103-Y139 VanDerWaalsContact O-CE1 3.32Å; R103-Y139 WeakPolarHBondContact O-CE1 3.49Å; R103-Y139 PolarHBondContact O-OH 2.84Å; L105-Y139 HydrophobicContact CB-CD1 4.09Å; L105-Y139 HydrophobicContact CD1-CD1 4.2Å; L105-Y139 HydrophobicContact CD1-CG 4.24Å; L108-Y139 HydrophobicContact CD1-CD1 4.29Å; L108-Y139 HydrophobicContact CD1-CD2 3.89Å; L108-Y139 HydrophobicContact CD1-CE2 4.25Å; L108-Y139 HydrophobicContact CD1-CG 3.91Å; L108-Y139 HydrophobicContact CD2-CD1 4.04Å; L108-Y139 HydrophobicContact CD2-CD2 4.07Å; L108-Y139 HydrophobicContact CD2-CE1 3.56Å; L108-Y139 HydrophobicContact CD2-CE2 3.61Å; L108-Y139 HydrophobicContact CD2-CG 4.27Å; K111-Y139 PolarHBondContact NZ-OH 3.21Å; Y112-Y139 HydrophobicContact CE2-CE2 4.33Å; M135-Y139 HydrophobicContact CE-CE2 4.48Å; M135-Y139 VanDerWaalsContact O-CD2 3.31Å; M135-Y139 WeakPolarHBondContact O-CD2 3.24Å; M135-Y139 PolarHBondContact O-N 3.48Å; M135-Y139 VanDerWaalsContact O-N 3.1Å; Y136-Y139 PolarHBondContact O-N 3.06Å; L137-Y139 VanDerWaalsContact C-N 3.3Å; L137-Y139 PolarHBondContact O-N 3.14Å; Y139-M142 HydrophobicContact CD1-CE 3.79Å; Y139-M142 HydrophobicContact CE1-CE 4.09Å; Y139-M142 HydrophobicContact CG-CE 4.07Å; Y139-M142 WeakPolarHBondContact O-CB 3.34Å; Y139-M142 PolarHBondContact O-N 2.89Å; Y139-L143 WeakPolarHBondContact O-CB 3.4Å; Y139-L143 PolarHBondContact O-N 2.76Å; Y139-I169 HydrophobicContact CD2-CD1 3.63Å; Y139-I169 HydrophobicContact CE1-CD1 4.49Å; Y139-I169 HydrophobicContact CE2-CD1 3.38Å; Y139-I169 HydrophobicContact CE2-CG1 3.97Å; Y139-I169 HydrophobicContact CG-CD1 4.31Å
140	V	96.1	Very high	96.4	Very high	21 Å²	21	35.5 Å²	35.5	13%	0.127	18%	0.184	C	C	.	.	H	α-helix	trans	-65.2	-43.8	174.8	168.9	0	0	0	0	111.1	Y136 L137 M142 L143 F144 T733	Y136-V140 WeakPolarHBondContact O-CG2 3.24Å; Y136-V140 PolarHBondContact O-N 3.03Å; L137-V140 PolarHBondContact O-N 3.13Å; V140-M142 VanDerWaalsContact C-N 3.3Å; V140-M142 PolarHBondContact O-N 3.47Å; V140-L143 PolarHBondContact O-N 2.89Å; V140-F144 HydrophobicContact CG1-CD2 3.58Å; V140-F144 HydrophobicContact CG1-CE2 3.32Å; V140-F144 HydrophobicContact CG1-CZ 4.3Å; V140-F144 VanDerWaalsContact O-CD2 3.31Å; V140-F144 WeakPolarHBondContact O-CD2 3.38Å; V140-F144 PolarHBondContact O-N 2.93Å; V140-T733 HydrophobicContact CG2-CG2 3.27Å
141	V	97.8	Very high	96.6	Very high	43 Å²	43	35 Å²	35	26%	0.261	18%	0.181	S	C	.	.	H	α-helix	trans	-59.8	-43.5	173.9	170.2	0	0	0	0	110.3	L137 V138 L143 F144 G145 M161 T165	L137-V141 HydrophobicContact CD1-CG2 4.24Å; L137-V141 WeakPolarHBondContact O-CG2 3.27Å; L137-V141 PolarHBondContact O-N 2.93Å; V138-V141 PolarHBondContact O-N 2.82Å; V141-L143 PolarHBondContact O-N 3.37Å; V141-F144 PolarHBondContact O-N 3.1Å; V141-G145 PolarHBondContact O-N 3.49Å; V141-M161 HydrophobicContact CG1-CB 4.02Å; V141-M161 HydrophobicContact CG1-CE 3.91Å; V141-M161 HydrophobicContact CG1-CG 4.25Å; V141-T165 HydrophobicContact CB-CG2 4.13Å; V141-T165 HydrophobicContact CG1-CG2 3.75Å
142	M	97.9	Very high	96.8	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-60	-45.1	175.2	-165.2	174.4	43.1	0	0	111.8	I99 V138 Y139 V140 G145 A146 F162 T165 Y166 I169	I99-M142 HydrophobicContact CB-CE 4.36Å; I99-M142 HydrophobicContact CD1-CB 4.28Å; I99-M142 HydrophobicContact CD1-CE 4.21Å; I99-M142 HydrophobicContact CD1-CG 3.69Å; I99-M142 HydrophobicContact CD1-SD 4.3Å; I99-M142 HydrophobicContact CG1-CE 3.77Å; I99-M142 HydrophobicContact CG1-CG 4.26Å; I99-M142 HydrophobicContact CG1-SD 4.22Å; I99-M142 HydrophobicContact CG2-CE 3.8Å; V138-M142 WeakPolarHBondContact O-CB 3.48Å; V138-M142 PolarHBondContact O-N 3.44Å; Y139-M142 HydrophobicContact CD1-CE 3.79Å; Y139-M142 HydrophobicContact CE1-CE 4.09Å; Y139-M142 HydrophobicContact CG-CE 4.07Å; Y139-M142 WeakPolarHBondContact O-CB 3.34Å; Y139-M142 PolarHBondContact O-N 2.89Å; V140-M142 VanDerWaalsContact C-N 3.3Å; V140-M142 PolarHBondContact O-N 3.47Å; M142-G145 WeakPolarHBondContact O-CA 3.41Å; M142-G145 PolarHBondContact O-N 2.95Å; M142-A146 PolarHBondContact O-N 2.92Å; M142-F162 HydrophobicContact CG-CD2 3.92Å; M142-F162 HydrophobicContact CG-CE2 4.23Å; M142-T165 VanDerWaalsContact CA-OG1 3.31Å; M142-T165 WeakPolarHBondContact CA-OG1 3.45Å; M142-T165 WeakPolarHBondContact CB-OG1 3.41Å; M142-T165 VanDerWaalsContact CG-OG1 3.26Å; M142-T165 WeakPolarHBondContact CG-OG1 3.38Å; M142-Y166 HydrophobicContact SD-CD2 4.02Å; M142-I169 HydrophobicContact CE-CD1 3.49Å; M142-I169 VanDerWaalsContact CE-CD1 3.49Å; M142-I169 HydrophobicContact SD-CD1 3.86Å
143	L	97.2	Very high	96.9	Very high	41 Å²	41	31.1 Å²	31.1	22%	0.215	16%	0.158	C	C	.	.	H	α-helix	trans	-64.4	-45.7	179.7	-178.9	61.9	0	0	0	111.7	A96 I99 T100 L105 Y139 V140 V141 G145 A146 V147	A96-L143 HydrophobicContact CB-CD1 3.98Å; I99-L143 HydrophobicContact CB-CD1 4.44Å; I99-L143 HydrophobicContact CD1-CD1 4.49Å; I99-L143 HydrophobicContact CG2-CB 4.24Å; I99-L143 HydrophobicContact CG2-CD1 4.46Å; T100-L143 HydrophobicContact CG2-CD1 4.35Å; T100-L143 HydrophobicContact CG2-CD2 4.48Å; L105-L143 HydrophobicContact CD2-CD2 4.31Å; Y139-L143 WeakPolarHBondContact O-CB 3.4Å; Y139-L143 PolarHBondContact O-N 2.76Å; V140-L143 PolarHBondContact O-N 2.89Å; V141-L143 PolarHBondContact O-N 3.37Å; L143-G145 VanDerWaalsContact C-N 3.28Å; L143-G145 PolarHBondContact O-N 3.33Å; L143-A146 PolarHBondContact O-N 2.95Å; L143-V147 HydrophobicContact CD1-CG2 4.45Å; L143-V147 WeakPolarHBondContact O-CG2 3.48Å; L143-V147 PolarHBondContact O-N 2.96Å
144	F	97.7	Very high	97.1	Very high	132 Å²	132	35.3 Å²	35.3	58%	0.579	18%	0.175	S	C	*	.	H	α-helix	trans	-63.7	-35.6	173.9	-74.9	-49	0	0	0	112.1	V140 V141 G148 M161	V140-F144 HydrophobicContact CG1-CD2 3.58Å; V140-F144 HydrophobicContact CG1-CE2 3.32Å; V140-F144 HydrophobicContact CG1-CZ 4.3Å; V140-F144 VanDerWaalsContact O-CD2 3.31Å; V140-F144 WeakPolarHBondContact O-CD2 3.38Å; V140-F144 PolarHBondContact O-N 2.93Å; V141-F144 PolarHBondContact O-N 3.1Å; F144-G148 PolarHBondContact O-N 2.83Å; F144-M161 HydrophobicContact CB-CE 3.94Å
145	G	98.2	Very high	97.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-57.9	-51	169.8	0	0	0	0	0	111.9	V141 M142 L143 G148 I149 S158	V141-G145 PolarHBondContact O-N 3.49Å; M142-G145 WeakPolarHBondContact O-CA 3.41Å; M142-G145 PolarHBondContact O-N 2.95Å; L143-G145 VanDerWaalsContact C-N 3.28Å; L143-G145 PolarHBondContact O-N 3.33Å; G145-G148 PolarHBondContact O-N 3.15Å; G145-I149 VanDerWaalsContact O-CG1 3.3Å; G145-I149 WeakPolarHBondContact O-CG1 3.27Å; G145-I149 PolarHBondContact O-N 3.05Å; G145-S158 WeakPolarHBondContact CA-O 3.34Å
146	A	98.2	Very high	97.2	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.008	17%	0.17	C	C	.	.	H	α-helix	trans	-62.1	-44.7	178.8	0	0	0	0	0	112.9	M95 A96 I99 M142 L143 I149 M150 F162	M95-A146 HydrophobicContact CB-CB 4Å; A96-A146 HydrophobicContact CB-CB 4.36Å; I99-A146 HydrophobicContact CD1-CB 3.8Å; M142-A146 PolarHBondContact O-N 2.92Å; L143-A146 PolarHBondContact O-N 2.95Å; A146-I149 WeakPolarHBondContact O-CB 3.2Å; A146-I149 PolarHBondContact O-N 3.04Å; A146-M150 PolarHBondContact O-N 2.9Å; A146-F162 HydrophobicContact CB-CD2 4.01Å; A146-F162 HydrophobicContact CB-CE2 4.26Å
147	V	98.3	Very high	97.2	Very high	47 Å²	47	38.7 Å²	38.7	29%	0.285	19%	0.194	S	C	.	.	H	α-helix	trans	-65.5	-39.5	175.5	173.1	0	0	0	0	111.2	A96 L143 M150 L151	A96-V147 HydrophobicContact CB-CG2 4.08Å; L143-V147 HydrophobicContact CD1-CG2 4.45Å; L143-V147 WeakPolarHBondContact O-CG2 3.48Å; L143-V147 PolarHBondContact O-N 2.96Å; V147-M150 HydrophobicContact CG1-CE 4.23Å; V147-M150 WeakPolarHBondContact O-CB 3.36Å; V147-M150 PolarHBondContact O-N 3.47Å; V147-L151 HydrophobicContact CG1-CD1 4Å; V147-L151 HydrophobicContact CG1-CG 4.43Å; V147-L151 WeakPolarHBondContact O-CG 3.22Å; V147-L151 PolarHBondContact O-N 3Å
148	G	98.1	Very high	97.3	Very high	8 Å²	8	36.2 Å²	36.2	8%	0.082	18%	0.182	C	C	.	.	H	α-helix	trans	-63.9	-38.7	174.6	0	0	0	0	0	112.7	F144 G145 G152 C153 S158	F144-G148 PolarHBondContact O-N 2.83Å; G145-G148 PolarHBondContact O-N 3.15Å; G148-G152 WeakPolarHBondContact O-CA 3.43Å; G148-G152 PolarHBondContact O-N 3.19Å; G148-C153 PolarHBondContact O-N 3.32Å; G148-S158 WeakPolarHBondContact CA-OG 3.48Å
149	I	98.3	Very high	97.4	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-61.6	-48.9	169.3	-68.3	167.3	0	0	0	109.7	R88 G145 A146 L151 G152 F162 L191	R88-I149 VanDerWaalsContact CD-O 3.3Å; R88-I149 WeakPolarHBondContact CD-O 3.25Å; R88-I149 HydrophobicContact CG-CG2 3.93Å; R88-I149 WeakPolarHBondContact CG-O 3.24Å; R88-I149 PolarHBondContact NH1-O 3.33Å; G145-I149 VanDerWaalsContact O-CG1 3.3Å; G145-I149 WeakPolarHBondContact O-CG1 3.27Å; G145-I149 PolarHBondContact O-N 3.05Å; A146-I149 WeakPolarHBondContact O-CB 3.2Å; A146-I149 PolarHBondContact O-N 3.04Å; I149-L151 VanDerWaalsContact C-N 3.31Å; I149-L151 PolarHBondContact O-N 3.45Å; I149-G152 PolarHBondContact O-N 2.94Å; I149-G152 VanDerWaalsContact O-N 3.16Å; I149-F162 HydrophobicContact CD1-CB 3.8Å; I149-F162 HydrophobicContact CD1-CD1 4.01Å; I149-F162 HydrophobicContact CD1-CG 3.92Å; I149-L191 HydrophobicContact CG2-CD1 4.3Å
150	M	97.9	Very high	97.4	Very high	34 Å²	34	40.2 Å²	40.2	17%	0.167	20%	0.202	C	C	.	.	H	α-helix	trans	-58.1	-38	179.7	-178.6	-173	75.6	0	0	113.1	R88 F89 M93 A146 V147	R88-M150 PolarHBondContact NH1-O 3.18Å; F89-M150 HydrophobicContact CD2-CG 3.85Å; F89-M150 WeakPolarHBondContact CD2-O 3.41Å; F89-M150 HydrophobicContact CE2-CG 3.9Å; F89-M150 HydrophobicContact CE2-SD 4.48Å; F89-M150 HydrophobicContact CG-CG 4.23Å; F89-M150 HydrophobicContact CZ-CG 4.34Å; F89-M150 WeakPolarHBondContact O-CG 3.19Å; M93-M150 HydrophobicContact CB-CG 4.14Å; M93-M150 HydrophobicContact CB-SD 3.72Å; M93-M150 HydrophobicContact CG-SD 4.21Å; A146-M150 PolarHBondContact O-N 2.9Å; V147-M150 HydrophobicContact CG1-CE 4.23Å; V147-M150 WeakPolarHBondContact O-CB 3.36Å; V147-M150 PolarHBondContact O-N 3.47Å
151	L	97.3	Very high	97.5	Very high	66 Å²	66	41.6 Å²	41.6	35%	0.346	21%	0.207	S	C	.	.	H	α-helix	trans	-91.6	-12.9	179.2	-61.7	177.3	0	0	0	113.1	V147 I149 C153 S201 I202	V147-L151 HydrophobicContact CG1-CD1 4Å; V147-L151 HydrophobicContact CG1-CG 4.43Å; V147-L151 WeakPolarHBondContact O-CG 3.22Å; V147-L151 PolarHBondContact O-N 3Å; I149-L151 VanDerWaalsContact C-N 3.31Å; I149-L151 PolarHBondContact O-N 3.45Å; L151-C153 VanDerWaalsContact C-N 3.28Å; L151-C153 HydrophobicContact CB-CB 4.32Å; L151-C153 PolarHBondContact O-N 3.39Å; L151-S201 WeakPolarHBondContact O-CA 3.29Å; L151-I202 HydrophobicContact CB-CD1 3.85Å; L151-I202 HydrophobicContact CB-CG1 4.31Å; L151-I202 HydrophobicContact CD1-CD1 4.12Å; L151-I202 HydrophobicContact CG-CD1 4.48Å; L151-I202 PolarHBondContact O-N 3.28Å
152	G	96.5	Very high	97.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	38.5	-173.2	0	0	0	0	0	111.7	G148 I149 D203	G148-G152 WeakPolarHBondContact O-CA 3.43Å; G148-G152 PolarHBondContact O-N 3.19Å; I149-G152 PolarHBondContact O-N 2.94Å; I149-G152 VanDerWaalsContact O-N 3.16Å; G152-D203 VanDerWaalsContact O-CB 3.25Å; G152-D203 WeakPolarHBondContact O-CB 3.48Å; G152-D203 VanDerWaalsContact O-CG 3.3Å; G152-D203 PolarHBondContact O-N 2.89Å
153	C	96.9	Very high	97.5	Very high	22 Å²	22	40.6 Å²	40.6	15%	0.149	20%	0.2	C	C	.	.	S	Bend	trans	-101.9	125.1	-178.7	-174.1	0	0	0	0	109.6	G148 L151 Y155 S158 I202	G148-C153 PolarHBondContact O-N 3.32Å; L151-C153 VanDerWaalsContact C-N 3.28Å; L151-C153 HydrophobicContact CB-CB 4.32Å; L151-C153 PolarHBondContact O-N 3.39Å; C153-Y155 PolarHBondContact O-N 3.16Å; C153-Y155 VanDerWaalsContact O-N 3.16Å; C153-S158 PolarHBondContact O-OG 2.96Å; C153-I202 HydrophobicContact CB-CB 3.95Å; C153-I202 HydrophobicContact CB-CD1 4.05Å; C153-I202 HydrophobicContact CB-CG1 4.44Å; C153-I202 HydrophobicContact CB-CG2 4.26Å
154	F	96.4	Very high	97.5	Very high	121 Å²	121	41.8 Å²	41.8	53%	0.531	21%	0.212	S	C	.	.	S	Bend	trans	48.4	41.8	-172.6	-59.2	-71.5	0	0	0	111.5	R156 L157 S158 D203	F154-R156 VanDerWaalsContact C-N 3.31Å; F154-R156 PolarHBondContact O-N 2.99Å; F154-L157 HydrophobicContact CB-CB 4.33Å; F154-L157 WeakPolarHBondContact O-CA 3.26Å; F154-L157 WeakPolarHBondContact O-CB 3.36Å; F154-L157 PolarHBondContact O-N 2.83Å; F154-S158 PolarHBondContact O-N 3.16Å; F154-D203 PolarHBondContact N-OD1 3.14Å
155	Y	96.8	Very high	97.5	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-48.6	-45.6	-158.4	170.4	-108.6	0	0	0	114.9	R88 C153 L157 S158 C159 L191 M194 A196 N197	R88-Y155 HydrophobicContact CG-CE2 4.08Å; C153-Y155 PolarHBondContact O-N 3.16Å; C153-Y155 VanDerWaalsContact O-N 3.16Å; Y155-L157 PolarHBondContact O-N 3.25Å; Y155-S158 PolarHBondContact O-N 2.82Å; Y155-C159 VanDerWaalsContact CE2-SG 3.58Å; Y155-C159 PolarHBondContact O-N 3.15Å; Y155-C159 PolarHBondContact O-SG 3.09Å; Y155-C159 VanDerWaalsContact O-SG 3.36Å; Y155-L191 WeakPolarHBondContact OH-CB 3.25Å; Y155-L191 PolarHBondContact OH-O 3.21Å; Y155-M194 WeakPolarHBondContact CE1-O 3.37Å; Y155-A196 HydrophobicContact CE2-CB 4.28Å; Y155-A196 VanDerWaalsContact OH-CB 3.28Å; Y155-A196 WeakPolarHBondContact OH-CB 3.21Å; Y155-N197 HydrophobicContact CD1-CB 3.77Å; Y155-N197 HydrophobicContact CD2-CB 4.29Å; Y155-N197 HydrophobicContact CG-CB 3.63Å
156	R	95.8	Very high	97.4	Very high	99 Å²	99	36.6 Å²	36.6	37%	0.374	19%	0.19	S	C	.	.	H	α-helix	trans	-65.7	-38.5	-179.7	-60.4	-65.9	-177.3	156.6	-1.2	112.2	F154 L160 T192 F193 M194 D195	F154-R156 VanDerWaalsContact C-N 3.31Å; F154-R156 PolarHBondContact O-N 2.99Å; R156-L160 PolarHBondContact O-N 3.09Å; R156-L160 VanDerWaalsContact O-N 3.08Å; R156-T192 PolarHBondContact NH1-O 2.84Å; R156-F193 VanDerWaalsContact NH1-CA 3.31Å; R156-F193 PolarHBondContact NH1-O 3.04Å; R156-F193 PolarHBondContact NH2-O 2.89Å; R156-M194 PolarHBondContact NH1-O 3.38Å; R156-M194 PolarHBondContact NH2-O 2.92Å; R156-D195 IonicContact NH2-OD1 3.47Å; R156-D195 PolarHBondContact NH2-OD1 3.08Å
157	L	97.1	Very high	97.3	Very high	96 Å²	96	38.7 Å²	38.7	50%	0.503	20%	0.198	S	C	.	.	H	α-helix	trans	-68.2	-42.3	174.5	177.6	62.8	0	0	0	110.7	F154 Y155 C159 L160 M161	F154-L157 HydrophobicContact CB-CB 4.33Å; F154-L157 WeakPolarHBondContact O-CA 3.26Å; F154-L157 WeakPolarHBondContact O-CB 3.36Å; F154-L157 PolarHBondContact O-N 2.83Å; Y155-L157 PolarHBondContact O-N 3.25Å; L157-C159 VanDerWaalsContact C-N 3.35Å; L157-C159 PolarHBondContact O-N 2.87Å; L157-L160 WeakPolarHBondContact O-CB 3.34Å; L157-L160 PolarHBondContact O-N 3.11Å; L157-L160 VanDerWaalsContact O-N 3.15Å; L157-M161 HydrophobicContact CD1-CG 4.36Å; L157-M161 HydrophobicContact CG-CG 4.42Å; L157-M161 HydrophobicContact CG-SD 4.14Å; L157-M161 WeakPolarHBondContact O-CG 3.37Å; L157-M161 PolarHBondContact O-N 3.25Å
158	S	98.2	Very high	97.2	Very high	9 Å²	9	38.9 Å²	38.9	6%	0.063	19%	0.194	C	C	.	.	H	α-helix	trans	-63.1	-39.9	176.8	-58.6	0	0	0	0	112.8	G145 G148 C153 F154 Y155 M161 F162	G145-S158 WeakPolarHBondContact CA-O 3.34Å; G148-S158 WeakPolarHBondContact CA-OG 3.48Å; C153-S158 PolarHBondContact O-OG 2.96Å; F154-S158 PolarHBondContact O-N 3.16Å; Y155-S158 PolarHBondContact O-N 2.82Å; S158-M161 PolarHBondContact O-N 2.86Å; S158-F162 WeakPolarHBondContact O-CB 3.5Å; S158-F162 PolarHBondContact O-N 3.41Å
159	C	98.2	Very high	97	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.007	19%	0.194	C	C	.	.	H	α-helix	trans	-58.4	-47.3	170.2	-74.4	0	0	0	0	111.6	Y155 L157 F162 I163 T192	Y155-C159 VanDerWaalsContact CE2-SG 3.58Å; Y155-C159 PolarHBondContact O-N 3.15Å; Y155-C159 PolarHBondContact O-SG 3.09Å; Y155-C159 VanDerWaalsContact O-SG 3.36Å; L157-C159 VanDerWaalsContact C-N 3.35Å; L157-C159 PolarHBondContact O-N 2.87Å; C159-F162 PolarHBondContact O-N 2.96Å; C159-I163 WeakPolarHBondContact O-CB 3.28Å; C159-I163 WeakPolarHBondContact O-CG2 3.49Å; C159-I163 PolarHBondContact O-N 3.47Å; C159-T192 HydrophobicContact CB-CG2 4.25Å
160	L	97.6	Very high	96.7	Very high	102 Å²	102	40.2 Å²	40.2	53%	0.534	20%	0.198	S	C	.	.	H	α-helix	trans	-61.6	-47.5	178.2	-172.2	115.8	0	0	0	112	R156 L157 F162 I163 S164	R156-L160 PolarHBondContact O-N 3.09Å; R156-L160 VanDerWaalsContact O-N 3.08Å; L157-L160 WeakPolarHBondContact O-CB 3.34Å; L157-L160 PolarHBondContact O-N 3.11Å; L157-L160 VanDerWaalsContact O-N 3.15Å; L160-F162 PolarHBondContact O-N 2.65Å; L160-I163 WeakPolarHBondContact O-CG2 3.4Å; L160-I163 PolarHBondContact O-N 3.36Å; L160-S164 WeakPolarHBondContact O-CB 3.46Å; L160-S164 PolarHBondContact O-N 3.46Å; L160-S164 PolarHBondContact O-OG 2.89Å
161	M	98.1	Very high	96.5	Very high	49 Å²	49	41.3 Å²	41.3	24%	0.241	20%	0.202	C	C	.	.	H	α-helix	trans	-56.8	-48.8	176.6	-72.8	172.1	67.5	0	0	111.3	V141 F144 L157 S158 S164 T165	V141-M161 HydrophobicContact CG1-CB 4.02Å; V141-M161 HydrophobicContact CG1-CE 3.91Å; V141-M161 HydrophobicContact CG1-CG 4.25Å; F144-M161 HydrophobicContact CB-CE 3.94Å; L157-M161 HydrophobicContact CD1-CG 4.36Å; L157-M161 HydrophobicContact CG-CG 4.42Å; L157-M161 HydrophobicContact CG-SD 4.14Å; L157-M161 WeakPolarHBondContact O-CG 3.37Å; L157-M161 PolarHBondContact O-N 3.25Å; S158-M161 PolarHBondContact O-N 2.86Å; M161-S164 PolarHBondContact O-OG 2.7Å; M161-T165 WeakPolarHBondContact O-CG2 3.45Å; M161-T165 PolarHBondContact O-N 3.23Å; M161-T165 PolarHBondContact O-OG1 2.99Å
162	F	98.3	Very high	96.3	Very high	1 Å²	1	38.5 Å²	38.5	0%	0.004	19%	0.187	C	C	.	.	H	α-helix	trans	-61.6	-56	178.7	176.3	-101.9	0	0	0	110.8	F91 M95 I99 M142 A146 I149 S158 C159 L160 S164 T165 Y166	F91-F162 HydrophobicContact CE1-CE1 4.48Å; M95-F162 HydrophobicContact CB-CE2 4.03Å; M95-F162 HydrophobicContact CB-CZ 4.25Å; M95-F162 HydrophobicContact CG-CE2 4.22Å; M95-F162 HydrophobicContact CG-CZ 3.9Å; M95-F162 HydrophobicContact SD-CZ 3.95Å; I99-F162 HydrophobicContact CD1-CD2 4.48Å; I99-F162 HydrophobicContact CD1-CE2 4.21Å; M142-F162 HydrophobicContact CG-CD2 3.92Å; M142-F162 HydrophobicContact CG-CE2 4.23Å; A146-F162 HydrophobicContact CB-CD2 4.01Å; A146-F162 HydrophobicContact CB-CE2 4.26Å; I149-F162 HydrophobicContact CD1-CB 3.8Å; I149-F162 HydrophobicContact CD1-CD1 4.01Å; I149-F162 HydrophobicContact CD1-CG 3.92Å; S158-F162 WeakPolarHBondContact O-CB 3.5Å; S158-F162 PolarHBondContact O-N 3.41Å; C159-F162 PolarHBondContact O-N 2.96Å; L160-F162 PolarHBondContact O-N 2.65Å; F162-S164 PolarHBondContact O-N 3.07Å; F162-T165 PolarHBondContact O-N 3.11Å; F162-T165 PolarHBondContact O-OG1 3.04Å; F162-Y166 HydrophobicContact CE1-CD2 4.26Å; F162-Y166 HydrophobicContact CE1-CG 4.37Å; F162-Y166 HydrophobicContact CE2-CD2 4.06Å; F162-Y166 AromaticContact CZ-CD2 3.67Å; F162-Y166 HydrophobicContact CZ-CD2 3.67Å; F162-Y166 HydrophobicContact CZ-CE2 4.21Å; F162-Y166 HydrophobicContact CZ-CG 4.23Å; F162-Y166 WeakPolarHBondContact O-CB 3.36Å; F162-Y166 PolarHBondContact O-N 3.12Å
163	I	97.5	Very high	95.9	Very high	22 Å²	22	40.2 Å²	40.2	11%	0.113	20%	0.196	C	C	.	.	H	α-helix	trans	-66.8	-39.3	-170.1	-165.4	162.7	0	0	0	113.3	C159 L160 Y166 W167 F189	C159-I163 WeakPolarHBondContact O-CB 3.28Å; C159-I163 WeakPolarHBondContact O-CG2 3.49Å; C159-I163 PolarHBondContact O-N 3.47Å; L160-I163 WeakPolarHBondContact O-CG2 3.4Å; L160-I163 PolarHBondContact O-N 3.36Å; I163-Y166 PolarHBondContact O-N 2.68Å; I163-W167 VanDerWaalsContact O-CD1 3.31Å; I163-W167 PolarHBondContact O-N 3.19Å; I163-F189 HydrophobicContact CD1-CB 3.56Å; I163-F189 HydrophobicContact CD1-CD2 3.82Å; I163-F189 HydrophobicContact CD1-CG 4.18Å
164	S	97.1	Very high	95.6	Very high	66 Å²	66	39.3 Å²	39.3	46%	0.462	19%	0.19	S	C	.	.	H	α-helix	trans	-64.1	-44.7	179.8	62.4	0	0	0	0	111	L160 M161 F162 Y168	L160-S164 WeakPolarHBondContact O-CB 3.46Å; L160-S164 PolarHBondContact O-N 3.46Å; L160-S164 PolarHBondContact O-OG 2.89Å; M161-S164 PolarHBondContact O-OG 2.7Å; F162-S164 PolarHBondContact O-N 3.07Å; S164-Y168 WeakPolarHBondContact O-CB 3.3Å; S164-Y168 PolarHBondContact O-N 2.91Å
165	T	97.2	Very high	95.1	Very high	12 Å²	12	34.3 Å²	34.3	7%	0.074	17%	0.169	C	C	.	.	H	α-helix	trans	-72.6	-35.6	178	56.6	0	0	0	0	112.5	V138 V141 M142 M161 F162 Y168 I169	V138-T165 HydrophobicContact CG1-CG2 3.91Å; V141-T165 HydrophobicContact CB-CG2 4.13Å; V141-T165 HydrophobicContact CG1-CG2 3.75Å; M142-T165 VanDerWaalsContact CA-OG1 3.31Å; M142-T165 WeakPolarHBondContact CA-OG1 3.45Å; M142-T165 WeakPolarHBondContact CB-OG1 3.41Å; M142-T165 VanDerWaalsContact CG-OG1 3.26Å; M142-T165 WeakPolarHBondContact CG-OG1 3.38Å; M161-T165 WeakPolarHBondContact O-CG2 3.45Å; M161-T165 PolarHBondContact O-N 3.23Å; M161-T165 PolarHBondContact O-OG1 2.99Å; F162-T165 PolarHBondContact O-N 3.11Å; F162-T165 PolarHBondContact O-OG1 3.04Å; T165-Y168 PolarHBondContact O-N 3.47Å; T165-I169 WeakPolarHBondContact O-CG1 3.4Å; T165-I169 PolarHBondContact O-N 3.05Å
166	Y	96.3	Very high	94.6	Very high	11 Å²	11	36.6 Å²	36.6	4%	0.043	19%	0.188	C	C	.	.	H	α-helix	trans	-63.9	-52.1	-179.4	-171.8	-86.6	0	0	0	111.1	R103 M142 F162 I163 Y168 I169 F170 S181	R103-Y166 PolarHBondContact NH2-OH 3.29Å; M142-Y166 HydrophobicContact SD-CD2 4.02Å; F162-Y166 HydrophobicContact CE1-CD2 4.26Å; F162-Y166 HydrophobicContact CE1-CG 4.37Å; F162-Y166 HydrophobicContact CE2-CD2 4.06Å; F162-Y166 AromaticContact CZ-CD2 3.67Å; F162-Y166 HydrophobicContact CZ-CD2 3.67Å; F162-Y166 HydrophobicContact CZ-CE2 4.21Å; F162-Y166 HydrophobicContact CZ-CG 4.23Å; F162-Y166 WeakPolarHBondContact O-CB 3.36Å; F162-Y166 PolarHBondContact O-N 3.12Å; I163-Y166 PolarHBondContact O-N 2.68Å; Y166-Y168 VanDerWaalsContact C-N 3.33Å; Y166-Y168 PolarHBondContact O-N 3.24Å; Y166-I169 PolarHBondContact O-N 2.98Å; Y166-F170 WeakPolarHBondContact O-CB 3.26Å; Y166-F170 PolarHBondContact O-N 3.03Å; Y166-S181 WeakPolarHBondContact OH-CA 3.48Å; Y166-S181 PolarHBondContact OH-O 2.92Å
167	W	95.6	Very high	94.1	Very high	46 Å²	46	32.5 Å²	32.5	17%	0.174	17%	0.173	C	C	.	.	H	α-helix	trans	-68.7	-32.2	179.1	-76.4	107.8	0	0	0	112.9	I163 F170 F171 Y182	I163-W167 VanDerWaalsContact O-CD1 3.31Å; I163-W167 PolarHBondContact O-N 3.19Å; W167-F170 HydrophobicContact CE3-CB 4.21Å; W167-F170 AromaticContact CE3-CD1 3.76Å; W167-F170 HydrophobicContact CE3-CD1 3.76Å; W167-F170 HydrophobicContact CE3-CE1 4.4Å; W167-F170 HydrophobicContact CE3-CG 4.1Å; W167-F170 AromaticContact CZ3-CD1 3.67Å; W167-F170 HydrophobicContact CZ3-CD1 3.67Å; W167-F170 AromaticContact CZ3-CE1 3.85Å; W167-F170 HydrophobicContact CZ3-CE1 3.85Å; W167-F170 HydrophobicContact CZ3-CG 4.21Å; W167-F170 PolarHBondContact O-N 3.44Å; W167-F171 HydrophobicContact CB-CD2 4.34Å; W167-F171 HydrophobicContact CB-CE2 3.93Å; W167-F171 HydrophobicContact CB-CZ 4.46Å; W167-F171 HydrophobicContact CD2-CE2 4.49Å; W167-F171 HydrophobicContact CD2-CZ 4.16Å; W167-F171 HydrophobicContact CE3-CD1 4.46Å; W167-F171 AromaticContact CE3-CE1 3.65Å; W167-F171 HydrophobicContact CE3-CE1 3.65Å; W167-F171 HydrophobicContact CE3-CE2 4.03Å; W167-F171 AromaticContact CE3-CZ 3.39Å; W167-F171 HydrophobicContact CE3-CZ 3.39Å; W167-F171 HydrophobicContact CG-CE2 4.5Å; W167-F171 AromaticContact CZ3-CE1 3.95Å; W167-F171 HydrophobicContact CZ3-CE1 3.95Å; W167-F171 AromaticContact CZ3-CZ 3.97Å; W167-F171 HydrophobicContact CZ3-CZ 3.97Å; W167-F171 WeakPolarHBondContact O-CB 3.49Å; W167-F171 WeakPolarHBondContact O-CD2 3.37Å; W167-F171 VanDerWaalsContact O-CG 3.25Å; W167-F171 WeakPolarHBondContact O-CG 3.27Å; W167-F171 PolarHBondContact O-N 2.91Å; W167-Y182 AromaticContact CH2-CD2 3.62Å; W167-Y182 HydrophobicContact CH2-CD2 3.62Å; W167-Y182 AromaticContact CH2-CE2 3.68Å; W167-Y182 HydrophobicContact CH2-CE2 3.68Å; W167-Y182 HydrophobicContact CZ3-CD2 4.2Å; W167-Y182 HydrophobicContact CZ3-CE2 4.44Å
168	Y	95.6	Very high	93.5	Very high	50 Å²	50	29.4 Å²	29.4	20%	0.196	16%	0.156	C	C	.	.	H	α-helix	trans	-58.7	-51.9	171.2	170.9	-108.9	0	0	0	111.3	L127 Q128 L130 M135 V138 S164 T165 Y166 F170 F171 L172	L127-Y168 HydrophobicContact CD1-CD2 4.09Å; L127-Y168 HydrophobicContact CD1-CE2 3.88Å; L127-Y168 HydrophobicContact CD2-CD2 4.49Å; L127-Y168 HydrophobicContact CG-CE2 4.29Å; Q128-Y168 PolarHBondContact O-OH 3.49Å; L130-Y168 WeakPolarHBondContact CG-OH 3.49Å; L130-Y168 PolarHBondContact N-OH 2.9Å; M135-Y168 HydrophobicContact CE-CE1 4.25Å; M135-Y168 HydrophobicContact SD-CE1 4.05Å; V138-Y168 HydrophobicContact CG1-CD1 3.99Å; V138-Y168 HydrophobicContact CG1-CE1 4.34Å; V138-Y168 HydrophobicContact CG2-CE1 4.41Å; S164-Y168 WeakPolarHBondContact O-CB 3.3Å; S164-Y168 PolarHBondContact O-N 2.91Å; T165-Y168 PolarHBondContact O-N 3.47Å; Y166-Y168 VanDerWaalsContact C-N 3.33Å; Y166-Y168 PolarHBondContact O-N 3.24Å; Y168-F170 VanDerWaalsContact C-N 3.32Å; Y168-F170 PolarHBondContact O-N 3.38Å; Y168-F171 PolarHBondContact O-N 3.18Å; Y168-L172 HydrophobicContact CD1-CD1 4.09Å; Y168-L172 HydrophobicContact CE1-CD1 3.52Å; Y168-L172 HydrophobicContact CE1-CG 4.38Å; Y168-L172 HydrophobicContact CE2-CD1 4.11Å; Y168-L172 HydrophobicContact CE2-CD2 4.21Å; Y168-L172 HydrophobicContact CE2-CG 4.11Å; Y168-L172 WeakPolarHBondContact O-CG 3.29Å; Y168-L172 PolarHBondContact O-N 2.82Å; Y168-L172 VanDerWaalsContact O-N 3.14Å
169	I	94.1	Very high	93.1	Very high	17 Å²	17	29.8 Å²	29.8	9%	0.087	16%	0.158	C	C	.	.	H	α-helix	trans	-63.1	-39.9	177.2	-67.3	162.8	0	0	0	111.3	V138 Y139 M142 T165 Y166 L172	V138-I169 HydrophobicContact CG1-CD1 3.96Å; V138-I169 HydrophobicContact CG1-CG1 4.16Å; Y139-I169 HydrophobicContact CD2-CD1 3.63Å; Y139-I169 HydrophobicContact CE1-CD1 4.49Å; Y139-I169 HydrophobicContact CE2-CD1 3.38Å; Y139-I169 HydrophobicContact CE2-CG1 3.97Å; Y139-I169 HydrophobicContact CG-CD1 4.31Å; M142-I169 HydrophobicContact CE-CD1 3.49Å; M142-I169 VanDerWaalsContact CE-CD1 3.49Å; M142-I169 HydrophobicContact SD-CD1 3.86Å; T165-I169 WeakPolarHBondContact O-CG1 3.4Å; T165-I169 PolarHBondContact O-N 3.05Å; Y166-I169 PolarHBondContact O-N 2.98Å; I169-L172 PolarHBondContact O-N 2.95Å
170	F	92.8	Very high	92.6	Very high	20 Å²	20	30.6 Å²	30.6	9%	0.088	16%	0.162	C	C	.	.	H	α-helix	trans	-57.9	-54.7	175.6	-170.6	-91.7	0	0	0	109.7	Y166 W167 Y168 L172 D173 W177	Y166-F170 WeakPolarHBondContact O-CB 3.26Å; Y166-F170 PolarHBondContact O-N 3.03Å; W167-F170 HydrophobicContact CE3-CB 4.21Å; W167-F170 AromaticContact CE3-CD1 3.76Å; W167-F170 HydrophobicContact CE3-CD1 3.76Å; W167-F170 HydrophobicContact CE3-CE1 4.4Å; W167-F170 HydrophobicContact CE3-CG 4.1Å; W167-F170 AromaticContact CZ3-CD1 3.67Å; W167-F170 HydrophobicContact CZ3-CD1 3.67Å; W167-F170 AromaticContact CZ3-CE1 3.85Å; W167-F170 HydrophobicContact CZ3-CE1 3.85Å; W167-F170 HydrophobicContact CZ3-CG 4.21Å; W167-F170 PolarHBondContact O-N 3.44Å; Y168-F170 VanDerWaalsContact C-N 3.32Å; Y168-F170 PolarHBondContact O-N 3.38Å; F170-L172 PolarHBondContact O-N 2.71Å; F170-L172 VanDerWaalsContact O-N 3.16Å; F170-D173 PolarHBondContact O-N 3.36Å; F170-W177 HydrophobicContact CD1-CD2 4.42Å; F170-W177 AromaticContact CD1-CE2 3.7Å; F170-W177 AromaticContact CD1-CZ2 3.78Å; F170-W177 HydrophobicContact CD1-CZ2 3.78Å; F170-W177 AromaticContact CD1-NE1 3.72Å; F170-W177 AromaticContact CE1-CD2 3.7Å; F170-W177 HydrophobicContact CE1-CD2 3.7Å; F170-W177 AromaticContact CE1-CE2 3.38Å; F170-W177 HydrophobicContact CE1-CE3 4.14Å; F170-W177 HydrophobicContact CE1-CG 4.19Å; F170-W177 AromaticContact CE1-CH2 3.96Å; F170-W177 HydrophobicContact CE1-CH2 3.96Å; F170-W177 AromaticContact CE1-CZ2 3.54Å; F170-W177 HydrophobicContact CE1-CZ2 3.54Å; F170-W177 HydrophobicContact CE1-CZ3 4.26Å; F170-W177 AromaticContact CE1-NE1 3.74Å; F170-W177 AromaticContact CE2-CD1 3.94Å; F170-W177 HydrophobicContact CE2-CD2 4.42Å; F170-W177 HydrophobicContact CE2-CG 4.09Å; F170-W177 AromaticContact CG-NE1 3.96Å; F170-W177 HydrophobicContact CZ-CB 4.41Å; F170-W177 AromaticContact CZ-CD1 3.96Å; F170-W177 AromaticContact CZ-CD2 3.7Å; F170-W177 HydrophobicContact CZ-CD2 3.7Å; F170-W177 AromaticContact CZ-CE2 3.83Å; F170-W177 HydrophobicContact CZ-CE3 4.19Å; F170-W177 AromaticContact CZ-CG 3.8Å; F170-W177 HydrophobicContact CZ-CG 3.8Å; F170-W177 HydrophobicContact CZ-CZ2 4.39Å; F170-W177 AromaticContact CZ-NE1 4Å; F170-W177 PolarHBondContact O-NE1 2.83Å
171	F	93.4	Very high	92.2	Very high	57 Å²	57	26.2 Å²	26.2	25%	0.25	14%	0.139	C	C	.	.	H	α-helix	trans	-67.5	-18.5	-177	-61.2	-38.9	0	0	0	115.3	L123 F124 L127 W167 Y168 D173 W177	L123-F171 HydrophobicContact CB-CD1 4.48Å; L123-F171 HydrophobicContact CD2-CD1 3.68Å; L123-F171 HydrophobicContact CD2-CE1 3.96Å; L123-F171 PolarHBondContact N-O 3.07Å; F124-F171 HydrophobicContact CD2-CB 4.47Å; F124-F171 HydrophobicContact CE2-CD1 4.44Å; F124-F171 HydrophobicContact CE2-CD2 4.27Å; F124-F171 HydrophobicContact CE2-CG 4.21Å; L127-F171 VanDerWaalsContact CD2-C 3.49Å; L127-F171 HydrophobicContact CD2-CB 3.61Å; W167-F171 HydrophobicContact CB-CD2 4.34Å; W167-F171 HydrophobicContact CB-CE2 3.93Å; W167-F171 HydrophobicContact CB-CZ 4.46Å; W167-F171 HydrophobicContact CD2-CE2 4.49Å; W167-F171 HydrophobicContact CD2-CZ 4.16Å; W167-F171 HydrophobicContact CE3-CD1 4.46Å; W167-F171 AromaticContact CE3-CE1 3.65Å; W167-F171 HydrophobicContact CE3-CE1 3.65Å; W167-F171 HydrophobicContact CE3-CE2 4.03Å; W167-F171 AromaticContact CE3-CZ 3.39Å; W167-F171 HydrophobicContact CE3-CZ 3.39Å; W167-F171 HydrophobicContact CG-CE2 4.5Å; W167-F171 AromaticContact CZ3-CE1 3.95Å; W167-F171 HydrophobicContact CZ3-CE1 3.95Å; W167-F171 AromaticContact CZ3-CZ 3.97Å; W167-F171 HydrophobicContact CZ3-CZ 3.97Å; W167-F171 WeakPolarHBondContact O-CB 3.49Å; W167-F171 WeakPolarHBondContact O-CD2 3.37Å; W167-F171 VanDerWaalsContact O-CG 3.25Å; W167-F171 WeakPolarHBondContact O-CG 3.27Å; W167-F171 PolarHBondContact O-N 2.91Å; Y168-F171 PolarHBondContact O-N 3.18Å; F171-D173 PolarHBondContact O-N 2.64Å; F171-W177 HydrophobicContact CD1-CZ2 4.12Å
172	L	92.7	Very high	91.9	Very high	7 Å²	7	24.6 Å²	24.6	4%	0.037	13%	0.131	C	C	.	.	H	α-helix	trans	-67.4	-30	178.7	-83.7	175.5	0	0	0	114.2	P122 L127 Q128 M135 Y168 I169 F170	P122-L172 WeakPolarHBondContact CA-O 3.42Å; L127-L172 HydrophobicContact CD2-CB 4.45Å; L127-L172 HydrophobicContact CD2-CD2 3.85Å; L127-L172 HydrophobicContact CD2-CG 3.92Å; L127-L172 HydrophobicContact CG-CD2 3.69Å; L127-L172 HydrophobicContact CG-CG 4.28Å; Q128-L172 VanDerWaalsContact C-CD2 3.4Å; M135-L172 HydrophobicContact CE-CD1 3.76Å; M135-L172 HydrophobicContact SD-CD1 4.48Å; Y168-L172 HydrophobicContact CD1-CD1 4.09Å; Y168-L172 HydrophobicContact CE1-CD1 3.52Å; Y168-L172 HydrophobicContact CE1-CG 4.38Å; Y168-L172 HydrophobicContact CE2-CD1 4.11Å; Y168-L172 HydrophobicContact CE2-CD2 4.21Å; Y168-L172 HydrophobicContact CE2-CG 4.11Å; Y168-L172 WeakPolarHBondContact O-CG 3.29Å; Y168-L172 PolarHBondContact O-N 2.82Å; Y168-L172 VanDerWaalsContact O-N 3.14Å; I169-L172 PolarHBondContact O-N 2.95Å; F170-L172 PolarHBondContact O-N 2.71Å; F170-L172 VanDerWaalsContact O-N 3.16Å
173	D	89.1	Confident	91.8	Very high	36 Å²	36	24.6 Å²	24.6	19%	0.193	13%	0.131	C	C	.	.			trans	-148.4	99.3	-172.2	-176.3	8.8	0	0	0	112.6	F170 F171 T175 A176 W177	F170-D173 PolarHBondContact O-N 3.36Å; F171-D173 PolarHBondContact O-N 2.64Å; D173-T175 VanDerWaalsContact CG-OG1 3.3Å; D173-T175 PolarHBondContact O-N 3.35Å; D173-T175 WeakPolarHBondContact OD1-CB 3.32Å; D173-T175 PolarHBondContact OD1-N 3.07Å; D173-T175 PolarHBondContact OD1-OG1 2.95Å; D173-T175 PolarHBondContact OD2-OG1 3.34Å; D173-A176 PolarHBondContact O-N 3.35Å; D173-W177 PolarHBondContact O-NE1 2.61Å
174	K	89.1	Confident	91.6	Very high	3 Å²	3	23.5 Å²	23.5	1%	0.013	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-62.5	-24.8	175	-68.6	178.4	-68.6	-174.8	0	113.2	F121 P122 L123 A176 W177 D474 M475 Q478	F121-K174 WeakPolarHBondContact O-CB 3.45Å; F121-K174 WeakPolarHBondContact O-CE 3.23Å; F121-K174 WeakPolarHBondContact O-CG 3.3Å; F121-K174 PolarHBondContact O-N 2.95Å; P122-K174 WeakPolarHBondContact O-CE 3.45Å; P122-K174 PolarHBondContact O-NZ 2.95Å; L123-K174 HydrophobicContact CB-CD 4.44Å; L123-K174 HydrophobicContact CB-CG 4.28Å; L123-K174 HydrophobicContact CD1-CD 4.09Å; K174-A176 PolarHBondContact O-N 3.43Å; K174-W177 HydrophobicContact CB-CD2 4.25Å; K174-W177 HydrophobicContact CG-CD2 4.18Å; K174-W177 HydrophobicContact CG-CE3 4.28Å; K174-W177 HydrophobicContact CG-CH2 3.95Å; K174-W177 HydrophobicContact CG-CZ2 3.78Å; K174-W177 HydrophobicContact CG-CZ3 4.17Å; K174-W177 WeakPolarHBondContact O-CB 3.32Å; K174-W177 PolarHBondContact O-N 2.94Å; K174-W177 VanDerWaalsContact O-N 3.13Å; K174-D474 IonicContact NZ-OD2 2.8Å; K174-D474 PolarHBondContact NZ-OD2 3.39Å; K174-M475 HydrophobicContact CB-CE 3.7Å; K174-M475 HydrophobicContact CB-SD 4.47Å; K174-Q478 VanDerWaalsContact NZ-CD 3.28Å
175	T	87.4	Confident	91.5	Very high	17 Å²	17	20.4 Å²	20.4	10%	0.104	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-70.6	-20.1	-177.7	73.6	0	0	0	0	112.4	F121 D173 S466 R468 M475	F121-T175 HydrophobicContact CB-CG2 3.87Å; F121-T175 HydrophobicContact CD2-CG2 3.31Å; F121-T175 HydrophobicContact CE2-CG2 4.02Å; F121-T175 HydrophobicContact CG-CG2 3.71Å; D173-T175 VanDerWaalsContact CG-OG1 3.3Å; D173-T175 PolarHBondContact O-N 3.35Å; D173-T175 WeakPolarHBondContact OD1-CB 3.32Å; D173-T175 PolarHBondContact OD1-N 3.07Å; D173-T175 PolarHBondContact OD1-OG1 2.95Å; D173-T175 PolarHBondContact OD2-OG1 3.34Å; T175-S466 WeakPolarHBondContact CB-OG 3.36Å; T175-S466 WeakPolarHBondContact CG2-OG 3.33Å; T175-R468 VanDerWaalsContact O-CD 3.25Å; T175-R468 WeakPolarHBondContact O-CD 3.42Å; T175-R468 VanDerWaalsContact O-CZ 3.3Å; T175-R468 PolarHBondContact O-NE 3.26Å; T175-R468 PolarHBondContact O-NH1 3.13Å; T175-M475 HydrophobicContact CG2-SD 3.91Å
176	A	85	Confident	91.5	Very high	47 Å²	47	20.4 Å²	20.4	39%	0.388	10%	0.103	S	C	.	.	G	3₁₀ helix	trans	-88.1	-5.5	174.7	0	0	0	0	0	113.5	D173 K174	D173-A176 PolarHBondContact O-N 3.35Å; K174-A176 PolarHBondContact O-N 3.43Å
177	W	85.7	Confident	91.5	Very high	14 Å²	14	19.9 Å²	19.9	5%	0.053	10%	0.101	C	C	.	.			trans	-68.5	151.6	-173.8	-68.8	8.8	0	0	0	113	L123 F170 F171 D173 K174 L426 Y427 R468	L123-W177 HydrophobicContact CB-CH2 3.79Å; L123-W177 HydrophobicContact CB-CZ2 3.81Å; L123-W177 HydrophobicContact CD1-CH2 3.53Å; L123-W177 HydrophobicContact CD1-CZ2 4.4Å; L123-W177 HydrophobicContact CD1-CZ3 4.18Å; L123-W177 HydrophobicContact CD2-CH2 3.62Å; L123-W177 HydrophobicContact CD2-CZ2 4.16Å; L123-W177 HydrophobicContact CG-CH2 3.8Å; L123-W177 HydrophobicContact CG-CZ2 4.31Å; F170-W177 HydrophobicContact CD1-CD2 4.42Å; F170-W177 AromaticContact CD1-CE2 3.7Å; F170-W177 AromaticContact CD1-CZ2 3.78Å; F170-W177 HydrophobicContact CD1-CZ2 3.78Å; F170-W177 AromaticContact CD1-NE1 3.72Å; F170-W177 AromaticContact CE1-CD2 3.7Å; F170-W177 HydrophobicContact CE1-CD2 3.7Å; F170-W177 AromaticContact CE1-CE2 3.38Å; F170-W177 HydrophobicContact CE1-CE3 4.14Å; F170-W177 HydrophobicContact CE1-CG 4.19Å; F170-W177 AromaticContact CE1-CH2 3.96Å; F170-W177 HydrophobicContact CE1-CH2 3.96Å; F170-W177 AromaticContact CE1-CZ2 3.54Å; F170-W177 HydrophobicContact CE1-CZ2 3.54Å; F170-W177 HydrophobicContact CE1-CZ3 4.26Å; F170-W177 AromaticContact CE1-NE1 3.74Å; F170-W177 AromaticContact CE2-CD1 3.94Å; F170-W177 HydrophobicContact CE2-CD2 4.42Å; F170-W177 HydrophobicContact CE2-CG 4.09Å; F170-W177 AromaticContact CG-NE1 3.96Å; F170-W177 HydrophobicContact CZ-CB 4.41Å; F170-W177 AromaticContact CZ-CD1 3.96Å; F170-W177 AromaticContact CZ-CD2 3.7Å; F170-W177 HydrophobicContact CZ-CD2 3.7Å; F170-W177 AromaticContact CZ-CE2 3.83Å; F170-W177 HydrophobicContact CZ-CE3 4.19Å; F170-W177 AromaticContact CZ-CG 3.8Å; F170-W177 HydrophobicContact CZ-CG 3.8Å; F170-W177 HydrophobicContact CZ-CZ2 4.39Å; F170-W177 AromaticContact CZ-NE1 4Å; F170-W177 PolarHBondContact O-NE1 2.83Å; F171-W177 HydrophobicContact CD1-CZ2 4.12Å; D173-W177 PolarHBondContact O-NE1 2.61Å; K174-W177 HydrophobicContact CB-CD2 4.25Å; K174-W177 HydrophobicContact CG-CD2 4.18Å; K174-W177 HydrophobicContact CG-CE3 4.28Å; K174-W177 HydrophobicContact CG-CH2 3.95Å; K174-W177 HydrophobicContact CG-CZ2 3.78Å; K174-W177 HydrophobicContact CG-CZ3 4.17Å; K174-W177 WeakPolarHBondContact O-CB 3.32Å; K174-W177 PolarHBondContact O-N 2.94Å; K174-W177 VanDerWaalsContact O-N 3.13Å; W177-L426 HydrophobicContact CH2-CD2 4.48Å; W177-L426 HydrophobicContact CZ3-CD1 4.15Å; W177-L426 HydrophobicContact CZ3-CD2 3.79Å; W177-L426 HydrophobicContact CZ3-CG 3.99Å; W177-Y427 WeakPolarHBondContact O-CE1 3.37Å; W177-R468 PolarHBondContact O-NH1 3.44Å
178	N	85.5	Confident	91.6	Very high	30 Å²	30	17.7 Å²	17.7	16%	0.16	9%	0.093	C	C	.	.			trans	-163.9	164.1	171.4	52.2	46.9	0	0	0	108.5	H180 S181 Y182	N178-H180 PolarHBondContact ND2-CE1 3.05Å; N178-H180 PolarHBondContact ND2-NE2 2.87Å; N178-H180 PolarHBondContact O-N 2.92Å; N178-H180 PolarHBondContact OD1-CD2 2.85Å; N178-H180 PolarHBondContact OD1-CE1 2.86Å; N178-H180 VanDerWaalsContact OD1-CE1 3.22Å; N178-H180 PolarHBondContact OD1-N 3.33Å; N178-H180 PolarHBondContact OD1-ND1 2.79Å; N178-H180 PolarHBondContact OD1-NE2 2.91Å; N178-H180 VanDerWaalsContact OD1-NE2 3.07Å; N178-S181 PolarHBondContact ND2-OG 3.17Å; N178-S181 PolarHBondContact O-N 3.18Å; N178-S181 WeakPolarHBondContact OD1-CA 3.33Å; N178-S181 WeakPolarHBondContact OD1-CB 3.48Å; N178-S181 PolarHBondContact OD1-N 3.03Å; N178-S181 PolarHBondContact OD1-OG 3.29Å; N178-Y182 PolarHBondContact O-N 3.39Å
179	N	88.5	Confident	91.7	Very high	17 Å²	17	18.7 Å²	18.7	9%	0.091	10%	0.098	C	C	.	.	H	α-helix	trans	-56.8	-35.6	-178.4	-68.5	-61.8	0	0	0	112.7	Y182 L183 G428 W431 D432 M433	N179-Y182 PolarHBondContact O-N 3.24Å; N179-L183 PolarHBondContact O-N 3.23Å; N179-G428 WeakPolarHBondContact CA-O 3.31Å; N179-G428 WeakPolarHBondContact OD1-CA 3.49Å; N179-G428 PolarHBondContact OD1-O 2.92Å; N179-W431 HydrophobicContact CB-CE3 4.15Å; N179-W431 HydrophobicContact CB-CZ3 4.47Å; N179-W431 WeakPolarHBondContact O-CZ3 3.26Å; N179-W431 WeakPolarHBondContact OD1-CA 3.36Å; N179-W431 PolarHBondContact OD1-N 3.26Å; N179-W431 VanDerWaalsContact OD1-N 3.16Å; N179-D432 PolarHBondContact ND2-O 3.28Å; N179-M433 HydrophobicContact CB-CG 4.16Å
180	H	88.3	Confident	91.8	Very high	19 Å²	19	17.9 Å²	17.9	9%	0.088	9%	0.094	C	C	.	.	H	α-helix	trans	-74.8	-35.1	-177.2	61.5	-104.8	0	0	0	113.5	N178 Y182 L183 Y184 I316 F319	N178-H180 PolarHBondContact ND2-CE1 3.05Å; N178-H180 PolarHBondContact ND2-NE2 2.87Å; N178-H180 PolarHBondContact O-N 2.92Å; N178-H180 PolarHBondContact OD1-CD2 2.85Å; N178-H180 PolarHBondContact OD1-CE1 2.86Å; N178-H180 VanDerWaalsContact OD1-CE1 3.22Å; N178-H180 PolarHBondContact OD1-N 3.33Å; N178-H180 PolarHBondContact OD1-ND1 2.79Å; N178-H180 PolarHBondContact OD1-NE2 2.91Å; N178-H180 VanDerWaalsContact OD1-NE2 3.07Å; H180-Y182 VanDerWaalsContact C-N 3.31Å; H180-L183 WeakPolarHBondContact O-CB 3.33Å; H180-L183 PolarHBondContact O-N 3.03Å; H180-Y184 AromaticContact CD2-CE2 3.78Å; H180-Y184 WeakPolarHBondContact O-CD1 3.42Å; H180-Y184 WeakPolarHBondContact O-CD2 2.99Å; H180-Y184 PolarHBondContact O-N 2.96Å; H180-I316 WeakPolarHBondContact CE1-CG2 3.18Å; H180-I316 PolarHBondContact CE1-O 3.35Å; H180-I316 VanDerWaalsContact ND1-CG2 3.26Å; H180-I316 WeakPolarHBondContact ND1-CG2 3.46Å; H180-F319 HydrophobicContact CB-CB 3.81Å; H180-F319 HydrophobicContact CB-CD2 3.3Å; H180-F319 HydrophobicContact CB-CE2 4.04Å; H180-F319 HydrophobicContact CB-CG 3.72Å
181	S	89.7	Confident	92	Very high	10 Å²	10	17 Å²	17	7%	0.07	9%	0.09	C	C	.	.	H	α-helix	trans	-66.1	-39.1	174	-60.3	0	0	0	0	110.3	Y166 N178 Y184 G185	Y166-S181 WeakPolarHBondContact OH-CA 3.48Å; Y166-S181 PolarHBondContact OH-O 2.92Å; N178-S181 PolarHBondContact ND2-OG 3.17Å; N178-S181 PolarHBondContact O-N 3.18Å; N178-S181 WeakPolarHBondContact OD1-CA 3.33Å; N178-S181 WeakPolarHBondContact OD1-CB 3.48Å; N178-S181 PolarHBondContact OD1-N 3.03Å; N178-S181 PolarHBondContact OD1-OG 3.29Å; S181-Y184 PolarHBondContact O-N 3.38Å; S181-G185 PolarHBondContact O-N 2.83Å
182	Y	92.2	Very high	92.1	Very high	14 Å²	14	15.5 Å²	15.5	6%	0.055	9%	0.086	C	C	.	.	H	α-helix	trans	-59.9	-46.4	171	179.5	-121.3	0	0	0	111.7	W167 N178 N179 H180 Y184 G185 L186 G428 Y429 W431	W167-Y182 AromaticContact CH2-CD2 3.62Å; W167-Y182 HydrophobicContact CH2-CD2 3.62Å; W167-Y182 AromaticContact CH2-CE2 3.68Å; W167-Y182 HydrophobicContact CH2-CE2 3.68Å; W167-Y182 HydrophobicContact CZ3-CD2 4.2Å; W167-Y182 HydrophobicContact CZ3-CE2 4.44Å; N178-Y182 PolarHBondContact O-N 3.39Å; N179-Y182 PolarHBondContact O-N 3.24Å; H180-Y182 VanDerWaalsContact C-N 3.31Å; Y182-Y184 VanDerWaalsContact C-N 3.34Å; Y182-Y184 PolarHBondContact O-N 3.49Å; Y182-G185 PolarHBondContact O-N 2.67Å; Y182-G185 VanDerWaalsContact O-N 3.16Å; Y182-L186 HydrophobicContact CD1-CD1 4.15Å; Y182-L186 HydrophobicContact CE1-CD1 3.59Å; Y182-L186 HydrophobicContact CE1-CG 4.19Å; Y182-L186 HydrophobicContact CE2-CD1 4.33Å; Y182-L186 HydrophobicContact CE2-CD2 4.01Å; Y182-L186 HydrophobicContact CE2-CG 4.05Å; Y182-L186 PolarHBondContact O-N 3.5Å; Y182-G428 WeakPolarHBondContact CB-O 3.48Å; Y182-Y429 HydrophobicContact CD1-CD2 4.1Å; Y182-Y429 HydrophobicContact CD2-CD2 4.19Å; Y182-Y429 AromaticContact CE1-CD2 3.53Å; Y182-Y429 HydrophobicContact CE1-CD2 3.53Å; Y182-Y429 AromaticContact CE1-CE2 3.86Å; Y182-Y429 HydrophobicContact CE1-CE2 3.86Å; Y182-Y429 HydrophobicContact CE1-CG 4.37Å; Y182-Y429 AromaticContact CE2-CD2 3.65Å; Y182-Y429 HydrophobicContact CE2-CD2 3.65Å; Y182-Y429 AromaticContact CE2-CE2 3.66Å; Y182-Y429 HydrophobicContact CE2-CE2 3.66Å; Y182-Y429 HydrophobicContact CG-CD2 4.42Å; Y182-Y429 AromaticContact CZ-CD2 3.31Å; Y182-Y429 AromaticContact CZ-CE2 3.23Å; Y182-Y429 WeakPolarHBondContact OH-CE2 3.46Å; Y182-W431 AromaticContact CD1-CH2 3.47Å; Y182-W431 HydrophobicContact CD1-CH2 3.47Å; Y182-W431 VanDerWaalsContact CD1-CH2 3.47Å; Y182-W431 AromaticContact CD1-CZ2 3.9Å; Y182-W431 HydrophobicContact CD1-CZ2 3.9Å; Y182-W431 AromaticContact CD1-CZ3 3.99Å; Y182-W431 HydrophobicContact CD1-CZ3 3.99Å; Y182-W431 AromaticContact CE1-CH2 3.75Å; Y182-W431 HydrophobicContact CE1-CH2 3.75Å; Y182-W431 AromaticContact CE1-CZ2 3.7Å; Y182-W431 HydrophobicContact CE1-CZ2 3.7Å
183	L	94.4	Very high	92.3	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-56.6	-42.7	176	179	60.7	0	0	0	113.1	N179 H180 G185 L186 I187 Q226 V230 F319 M323 W431	N179-L183 PolarHBondContact O-N 3.23Å; H180-L183 WeakPolarHBondContact O-CB 3.33Å; H180-L183 PolarHBondContact O-N 3.03Å; L183-G185 VanDerWaalsContact C-N 3.34Å; L183-G185 PolarHBondContact O-N 2.03Å; L183-L186 PolarHBondContact O-N 2.89Å; L183-I187 HydrophobicContact CD1-CD1 4.05Å; L183-I187 HydrophobicContact CD1-CG1 4.18Å; L183-I187 HydrophobicContact CG-CD1 3.97Å; L183-I187 HydrophobicContact CG-CG1 4.47Å; L183-I187 WeakPolarHBondContact O-CG1 3.43Å; L183-I187 PolarHBondContact O-N 3.09Å; L183-Q226 HydrophobicContact CD1-CG 3.64Å; L183-V230 HydrophobicContact CD1-CG2 3.99Å; L183-V230 HydrophobicContact CD2-CG2 4.27Å; L183-F319 HydrophobicContact CD2-CE2 4.32Å; L183-M323 HydrophobicContact CD2-SD 3.85Å; L183-W431 HydrophobicContact CB-CH2 4.16Å; L183-W431 HydrophobicContact CB-CZ3 4Å; L183-W431 HydrophobicContact CD1-CH2 4.28Å
184	Y	94.9	Very high	92.5	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-65.1	-39	178.5	-53.2	-32.8	0	0	0	112.4	F91 M95 R103 H180 S181 Y182 L186 I187 G188 M318 F319 T322	F91-Y184 HydrophobicContact CE2-CD1 4.47Å; M95-Y184 HydrophobicContact CE-CD1 3.91Å; M95-Y184 HydrophobicContact CE-CD2 3.98Å; M95-Y184 HydrophobicContact CE-CE1 4.12Å; M95-Y184 HydrophobicContact CE-CE2 4.11Å; M95-Y184 HydrophobicContact CE-CG 3.82Å; M95-Y184 HydrophobicContact SD-CD2 4.27Å; M95-Y184 HydrophobicContact SD-CG 4Å; R103-Y184 VanDerWaalsContact NH2-CE2 3.3Å; H180-Y184 AromaticContact CD2-CE2 3.78Å; H180-Y184 WeakPolarHBondContact O-CD1 3.42Å; H180-Y184 WeakPolarHBondContact O-CD2 2.99Å; H180-Y184 PolarHBondContact O-N 2.96Å; S181-Y184 PolarHBondContact O-N 3.38Å; Y182-Y184 VanDerWaalsContact C-N 3.34Å; Y182-Y184 PolarHBondContact O-N 3.49Å; Y184-L186 VanDerWaalsContact C-N 3.33Å; Y184-I187 PolarHBondContact O-N 3.28Å; Y184-G188 PolarHBondContact O-N 2.91Å; Y184-M318 PolarHBondContact OH-O 3.1Å; Y184-F319 WeakPolarHBondContact OH-CA 3.49Å; Y184-F319 PolarHBondContact OH-N 3.33Å; Y184-T322 HydrophobicContact CD1-CG2 3.98Å; Y184-T322 HydrophobicContact CE1-CG2 3.58Å; Y184-T322 VanDerWaalsContact CE1-OG1 3.28Å; Y184-T322 WeakPolarHBondContact CE1-OG1 3.38Å; Y184-T322 PolarHBondContact OH-OG1 3.45Å
185	G	95.1	Very high	92.8	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.01	10%	0.098	C	C	.	.	H	α-helix	trans	-59.4	-43.5	172.4	0	0	0	0	0	111.9	S181 Y182 L183 G188 F189	S181-G185 PolarHBondContact O-N 2.83Å; Y182-G185 PolarHBondContact O-N 2.67Å; Y182-G185 VanDerWaalsContact O-N 3.16Å; L183-G185 VanDerWaalsContact C-N 3.34Å; L183-G185 PolarHBondContact O-N 2.03Å; G185-G188 PolarHBondContact O-N 2.76Å; G185-F189 WeakPolarHBondContact O-CB 3.5Å; G185-F189 PolarHBondContact O-N 2.96Å
186	L	95.9	Very high	93.1	Very high	11 Å²	11	17.7 Å²	17.7	6%	0.058	9%	0.093	C	C	.	.	H	α-helix	trans	-65.3	-44.7	175.9	-68.5	-177	0	0	0	112.8	Y182 L183 Y184 G188 F189 Q190 W431	Y182-L186 HydrophobicContact CD1-CD1 4.15Å; Y182-L186 HydrophobicContact CE1-CD1 3.59Å; Y182-L186 HydrophobicContact CE1-CG 4.19Å; Y182-L186 HydrophobicContact CE2-CD1 4.33Å; Y182-L186 HydrophobicContact CE2-CD2 4.01Å; Y182-L186 HydrophobicContact CE2-CG 4.05Å; Y182-L186 PolarHBondContact O-N 3.5Å; L183-L186 PolarHBondContact O-N 2.89Å; Y184-L186 VanDerWaalsContact C-N 3.33Å; L186-G188 VanDerWaalsContact C-N 3.34Å; L186-G188 PolarHBondContact O-N 3.31Å; L186-F189 WeakPolarHBondContact O-CB 3.45Å; L186-F189 PolarHBondContact O-N 3.11Å; L186-Q190 WeakPolarHBondContact O-CB 3.47Å; L186-Q190 VanDerWaalsContact O-CG 3.28Å; L186-Q190 WeakPolarHBondContact O-CG 3.32Å; L186-Q190 PolarHBondContact O-N 3.14Å; L186-W431 HydrophobicContact CD1-CH2 3.87Å; L186-W431 HydrophobicContact CD1-CZ2 3.89Å
187	I	97.2	Very high	93.6	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.005	8%	0.076	C	C	.	.	H	α-helix	trans	-63.2	-43.1	176.7	-69	172.2	0	0	0	110.3	F87 F91 L183 Y184 F189 Q190 L191 L223 I227	F87-I187 HydrophobicContact CE1-CG2 4.09Å; F87-I187 HydrophobicContact CZ-CG2 3.66Å; F91-I187 HydrophobicContact CD1-CG2 4.19Å; F91-I187 HydrophobicContact CD2-CG2 3.73Å; F91-I187 HydrophobicContact CE1-CG2 3.97Å; F91-I187 HydrophobicContact CE2-CB 3.86Å; F91-I187 HydrophobicContact CE2-CD1 4.26Å; F91-I187 HydrophobicContact CE2-CG2 3.48Å; F91-I187 VanDerWaalsContact CE2-CG2 3.48Å; F91-I187 HydrophobicContact CG-CG2 4.08Å; F91-I187 HydrophobicContact CZ-CB 3.96Å; F91-I187 HydrophobicContact CZ-CG2 3.61Å; L183-I187 HydrophobicContact CD1-CD1 4.05Å; L183-I187 HydrophobicContact CD1-CG1 4.18Å; L183-I187 HydrophobicContact CG-CD1 3.97Å; L183-I187 HydrophobicContact CG-CG1 4.47Å; L183-I187 WeakPolarHBondContact O-CG1 3.43Å; L183-I187 PolarHBondContact O-N 3.09Å; Y184-I187 PolarHBondContact O-N 3.28Å; I187-F189 VanDerWaalsContact C-N 3.3Å; I187-F189 PolarHBondContact O-N 3.07Å; I187-Q190 PolarHBondContact O-N 3.03Å; I187-L191 HydrophobicContact CG2-CD1 4.04Å; I187-L191 HydrophobicContact CG2-CG 4.35Å; I187-L191 WeakPolarHBondContact O-CB 3.42Å; I187-L191 VanDerWaalsContact O-CG 3.31Å; I187-L191 WeakPolarHBondContact O-CG 3.32Å; I187-L191 PolarHBondContact O-N 3.34Å; I187-L223 HydrophobicContact CG2-CD2 4.42Å; I187-I227 HydrophobicContact CD1-CD1 4.29Å
188	G	96.9	Very high	94	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-58.9	-41	173.5	0	0	0	0	0	112.6	Y184 G185 L186 T192	Y184-G188 PolarHBondContact O-N 2.91Å; G185-G188 PolarHBondContact O-N 2.76Å; L186-G188 VanDerWaalsContact C-N 3.34Å; L186-G188 PolarHBondContact O-N 3.31Å; G188-T192 PolarHBondContact O-N 2.95Å; G188-T192 VanDerWaalsContact O-N 3.15Å; G188-T192 PolarHBondContact O-OG1 3.04Å
189	F	97.2	Very high	94.4	Very high	71 Å²	71	15.1 Å²	15.1	31%	0.311	7%	0.071	S	C	.	.	H	α-helix	trans	-61.5	-50.7	174.4	-178.7	-102.9	0	0	0	111.9	I163 G185 L186 I187 L191 T192 F193 F398	I163-F189 HydrophobicContact CD1-CB 3.56Å; I163-F189 HydrophobicContact CD1-CD2 3.82Å; I163-F189 HydrophobicContact CD1-CG 4.18Å; G185-F189 WeakPolarHBondContact O-CB 3.5Å; G185-F189 PolarHBondContact O-N 2.96Å; L186-F189 WeakPolarHBondContact O-CB 3.45Å; L186-F189 PolarHBondContact O-N 3.11Å; I187-F189 VanDerWaalsContact C-N 3.3Å; I187-F189 PolarHBondContact O-N 3.07Å; F189-L191 PolarHBondContact O-N 3.3Å; F189-T192 VanDerWaalsContact O-CB 3.24Å; F189-T192 WeakPolarHBondContact O-CB 3.43Å; F189-T192 PolarHBondContact O-N 2.85Å; F189-T192 VanDerWaalsContact O-N 3.1Å; F189-F193 HydrophobicContact CD1-CE2 4.27Å; F189-F193 AromaticContact CD2-CE2 3.96Å; F189-F193 HydrophobicContact CD2-CE2 3.96Å; F189-F193 HydrophobicContact CE1-CD2 4.37Å; F189-F193 AromaticContact CE1-CE2 3.86Å; F189-F193 HydrophobicContact CE1-CE2 3.86Å; F189-F193 AromaticContact CE2-CE2 3.53Å; F189-F193 HydrophobicContact CE2-CE2 3.53Å; F189-F193 HydrophobicContact CE2-CZ 4.09Å; F189-F193 HydrophobicContact CG-CE2 4.32Å; F189-F193 HydrophobicContact CZ-CD2 4.39Å; F189-F193 AromaticContact CZ-CE2 3.47Å; F189-F193 HydrophobicContact CZ-CE2 3.47Å; F189-F193 VanDerWaalsContact CZ-CE2 3.47Å; F189-F193 HydrophobicContact CZ-CZ 4.11Å; F189-F193 VanDerWaalsContact O-CD2 3.25Å; F189-F193 WeakPolarHBondContact O-CD2 3.34Å; F189-F398 HydrophobicContact CE1-CE2 4.11Å; F189-F398 HydrophobicContact CE1-CZ 4.06Å
190	Q	96.8	Very high	94.6	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-59	-46.7	178	-72.3	175.8	28.2	0	0	112.1	L186 I187 T192 F193 M194 L223 Y402	L186-Q190 WeakPolarHBondContact O-CB 3.47Å; L186-Q190 VanDerWaalsContact O-CG 3.28Å; L186-Q190 WeakPolarHBondContact O-CG 3.32Å; L186-Q190 PolarHBondContact O-N 3.14Å; I187-Q190 PolarHBondContact O-N 3.03Å; Q190-T192 PolarHBondContact O-N 3.39Å; Q190-F193 PolarHBondContact O-N 3.24Å; Q190-M194 HydrophobicContact CB-CE 3.7Å; Q190-M194 HydrophobicContact CB-SD 4.29Å; Q190-M194 HydrophobicContact CG-CE 4.37Å; Q190-M194 VanDerWaalsContact O-CG 3.31Å; Q190-M194 WeakPolarHBondContact O-CG 3.25Å; Q190-M194 PolarHBondContact O-N 3.35Å; Q190-M194 VanDerWaalsContact O-N 3.14Å; Q190-L223 VanDerWaalsContact OE1-CD2 3.32Å; Q190-Y402 HydrophobicContact CG-CE2 4.5Å; Q190-Y402 PolarHBondContact NE2-OH 3.28Å
191	L	97.1	Very high	94.9	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-57.7	-34.2	176.8	-74.9	174.6	0	0	0	112	F87 F91 I149 Y155 I187 F189 F193 M194 A196	F87-L191 HydrophobicContact CD1-CD2 4.47Å; F87-L191 HydrophobicContact CE1-CD2 4.14Å; F91-L191 HydrophobicContact CD1-CD1 3.55Å; F91-L191 HydrophobicContact CE1-CD1 3.84Å; F91-L191 HydrophobicContact CG-CD1 4.34Å; I149-L191 HydrophobicContact CG2-CD1 4.3Å; Y155-L191 WeakPolarHBondContact OH-CB 3.25Å; Y155-L191 PolarHBondContact OH-O 3.21Å; I187-L191 HydrophobicContact CG2-CD1 4.04Å; I187-L191 HydrophobicContact CG2-CG 4.35Å; I187-L191 WeakPolarHBondContact O-CB 3.42Å; I187-L191 VanDerWaalsContact O-CG 3.31Å; I187-L191 WeakPolarHBondContact O-CG 3.32Å; I187-L191 PolarHBondContact O-N 3.34Å; F189-L191 PolarHBondContact O-N 3.3Å; L191-F193 PolarHBondContact O-N 3.27Å; L191-F193 VanDerWaalsContact O-N 3.12Å; L191-M194 PolarHBondContact O-N 2.73Å; L191-A196 HydrophobicContact CD2-CB 4.01Å
192	T	96.4	Very high	95.2	Very high	27 Å²	27	19.7 Å²	19.7	17%	0.166	9%	0.09	C	C	.	.	H	α-helix	trans	-57.7	-29.9	177.5	-55.8	0	0	0	0	112.5	R156 C159 G188 F189 Q190	R156-T192 PolarHBondContact NH1-O 2.84Å; C159-T192 HydrophobicContact CB-CG2 4.25Å; G188-T192 PolarHBondContact O-N 2.95Å; G188-T192 VanDerWaalsContact O-N 3.15Å; G188-T192 PolarHBondContact O-OG1 3.04Å; F189-T192 VanDerWaalsContact O-CB 3.24Å; F189-T192 WeakPolarHBondContact O-CB 3.43Å; F189-T192 PolarHBondContact O-N 2.85Å; F189-T192 VanDerWaalsContact O-N 3.1Å; Q190-T192 PolarHBondContact O-N 3.39Å
193	F	95.2	Very high	95.3	Very high	93 Å²	93	19.6 Å²	19.6	41%	0.408	9%	0.09	S	C	.	.	H	α-helix	trans	-96.6	-24.6	178.9	-61.1	-76.6	0	0	0	113.8	R156 F189 Q190 L191 W218 F398	R156-F193 VanDerWaalsContact NH1-CA 3.31Å; R156-F193 PolarHBondContact NH1-O 3.04Å; R156-F193 PolarHBondContact NH2-O 2.89Å; F189-F193 HydrophobicContact CD1-CE2 4.27Å; F189-F193 AromaticContact CD2-CE2 3.96Å; F189-F193 HydrophobicContact CD2-CE2 3.96Å; F189-F193 HydrophobicContact CE1-CD2 4.37Å; F189-F193 AromaticContact CE1-CE2 3.86Å; F189-F193 HydrophobicContact CE1-CE2 3.86Å; F189-F193 AromaticContact CE2-CE2 3.53Å; F189-F193 HydrophobicContact CE2-CE2 3.53Å; F189-F193 HydrophobicContact CE2-CZ 4.09Å; F189-F193 HydrophobicContact CG-CE2 4.32Å; F189-F193 HydrophobicContact CZ-CD2 4.39Å; F189-F193 AromaticContact CZ-CE2 3.47Å; F189-F193 HydrophobicContact CZ-CE2 3.47Å; F189-F193 VanDerWaalsContact CZ-CE2 3.47Å; F189-F193 HydrophobicContact CZ-CZ 4.11Å; F189-F193 VanDerWaalsContact O-CD2 3.25Å; F189-F193 WeakPolarHBondContact O-CD2 3.34Å; Q190-F193 PolarHBondContact O-N 3.24Å; L191-F193 PolarHBondContact O-N 3.27Å; L191-F193 VanDerWaalsContact O-N 3.12Å; F193-W218 HydrophobicContact CB-CH2 4.38Å; F193-F398 HydrophobicContact CD2-CZ 4.22Å
194	M	95	Very high	95.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	-75.7	161.6	-177.5	-68.6	169.1	-176.5	0	0	114.2	Y155 R156 Q190 L191 A196 W218 N219 L222 L223	Y155-M194 WeakPolarHBondContact CE1-O 3.37Å; R156-M194 PolarHBondContact NH1-O 3.38Å; R156-M194 PolarHBondContact NH2-O 2.92Å; Q190-M194 HydrophobicContact CB-CE 3.7Å; Q190-M194 HydrophobicContact CB-SD 4.29Å; Q190-M194 HydrophobicContact CG-CE 4.37Å; Q190-M194 VanDerWaalsContact O-CG 3.31Å; Q190-M194 WeakPolarHBondContact O-CG 3.25Å; Q190-M194 PolarHBondContact O-N 3.35Å; Q190-M194 VanDerWaalsContact O-N 3.14Å; L191-M194 PolarHBondContact O-N 2.73Å; M194-A196 PolarHBondContact O-N 2.99Å; M194-W218 HydrophobicContact CE-CZ3 4.4Å; M194-W218 HydrophobicContact CG-CH2 4.11Å; M194-W218 HydrophobicContact CG-CZ3 3.85Å; M194-N219 WeakPolarHBondContact CE-O 3.08Å; M194-N219 HydrophobicContact CG-CB 4.16Å; M194-L222 HydrophobicContact CE-CB 3.52Å; M194-L222 HydrophobicContact CE-CD1 3.82Å; M194-L222 HydrophobicContact CE-CG 4.31Å; M194-L223 HydrophobicContact CE-CD1 4.4Å; M194-L223 HydrophobicContact CE-CD2 4.36Å; M194-L223 HydrophobicContact CE-CG 3.82Å; M194-L223 HydrophobicContact SD-CD1 3.82Å; M194-L223 HydrophobicContact SD-CD2 4.31Å; M194-L223 HydrophobicContact SD-CG 3.85Å
195	D	93.9	Very high	94.9	Very high	15 Å²	15	25.9 Å²	25.9	8%	0.08	13%	0.125	C	C	.	.			trans	-96.4	51.2	175	-81.9	-41.9	0	0	0	111	R156 N197 R198 V215 N219 S363	R156-D195 IonicContact NH2-OD1 3.47Å; R156-D195 PolarHBondContact NH2-OD1 3.08Å; D195-N197 PolarHBondContact O-N 3.25Å; D195-R198 HydrophobicContact CB-CG 4.08Å; D195-R198 WeakPolarHBondContact O-CG 3.38Å; D195-R198 IonicContact OD1-CZ 3.19Å; D195-R198 IonicContact OD1-NE 3.66Å; D195-R198 IonicContact OD1-NH2 2.8Å; D195-R198 PolarHBondContact OD1-NH2 2.57Å; D195-R198 IonicContact OD2-CZ 3Å; D195-R198 IonicContact OD2-NH2 3.41Å; D195-R198 PolarHBondContact OD2-NH2 3.47Å; D195-R198 VanDerWaalsContact OD2-NH2 3.15Å; D195-V215 HydrophobicContact CB-CG1 3.96Å; D195-V215 WeakPolarHBondContact O-CG1 3.37Å; D195-N219 PolarHBondContact N-ND2 3.4Å; D195-S363 WeakPolarHBondContact OD2-CB 3.5Å; D195-S363 PolarHBondContact OD2-OG 3.22Å
196	A	95.2	Very high	94.8	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.008	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-76.2	-4.4	-177.6	0	0	0	0	0	114.2	L84 R88 Y155 L191 M194 R198	L84-A196 HydrophobicContact CD1-CB 4.12Å; L84-A196 HydrophobicContact CD2-CB 4.03Å; L84-A196 HydrophobicContact CG-CB 3.72Å; R88-A196 HydrophobicContact CB-CB 3.96Å; R88-A196 VanDerWaalsContact CD-O 3.29Å; R88-A196 WeakPolarHBondContact CD-O 3.44Å; R88-A196 HydrophobicContact CG-CB 4.2Å; R88-A196 PolarHBondContact NE-O 2.76Å; Y155-A196 HydrophobicContact CE2-CB 4.28Å; Y155-A196 VanDerWaalsContact OH-CB 3.28Å; Y155-A196 WeakPolarHBondContact OH-CB 3.21Å; L191-A196 HydrophobicContact CD2-CB 4.01Å; M194-A196 PolarHBondContact O-N 2.99Å; A196-R198 VanDerWaalsContact C-N 3.32Å
197	N	95.3	Very high	94.6	Very high	4 Å²	4	35.2 Å²	35.2	2%	0.021	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-87.6	9.2	177.4	67.8	-28.1	0	0	0	114	Y155 D195 S201 D203	Y155-N197 HydrophobicContact CD1-CB 3.77Å; Y155-N197 HydrophobicContact CD2-CB 4.29Å; Y155-N197 HydrophobicContact CG-CB 3.63Å; D195-N197 PolarHBondContact O-N 3.25Å; N197-S201 WeakPolarHBondContact O-CB 3.45Å; N197-S201 PolarHBondContact O-OG 2.85Å; N197-D203 HydrophobicContact CB-CB 4.24Å; N197-D203 PolarHBondContact ND2-OD2 3Å
198	R	93.6	Very high	94.1	Very high	30 Å²	30	39.8 Å²	39.8	11%	0.113	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-85.1	-14.5	-179.1	-54.1	-45	179.9	89.9	5.4	114.1	P81 D195 A196 K210 N212 S213 V215 S361	P81-R198 HydrophobicContact CB-CB 4.11Å; D195-R198 HydrophobicContact CB-CG 4.08Å; D195-R198 WeakPolarHBondContact O-CG 3.38Å; D195-R198 IonicContact OD1-CZ 3.19Å; D195-R198 IonicContact OD1-NE 3.66Å; D195-R198 IonicContact OD1-NH2 2.8Å; D195-R198 PolarHBondContact OD1-NH2 2.57Å; D195-R198 IonicContact OD2-CZ 3Å; D195-R198 IonicContact OD2-NH2 3.41Å; D195-R198 PolarHBondContact OD2-NH2 3.47Å; D195-R198 VanDerWaalsContact OD2-NH2 3.15Å; A196-R198 VanDerWaalsContact C-N 3.32Å; R198-K210 WeakPolarHBondContact CA-O 3.49Å; R198-N212 VanDerWaalsContact O-CA 3.27Å; R198-N212 WeakPolarHBondContact O-CA 3.27Å; R198-N212 PolarHBondContact O-N 3.1Å; R198-S213 VanDerWaalsContact CB-O 3.31Å; R198-S213 WeakPolarHBondContact CB-O 3.34Å; R198-S213 WeakPolarHBondContact CB-OG 3.38Å; R198-S213 WeakPolarHBondContact CD-OG 3.29Å; R198-S213 VanDerWaalsContact CG-OG 3.28Å; R198-S213 WeakPolarHBondContact CG-OG 3.15Å; R198-S213 PolarHBondContact NH1-OG 3.3Å; R198-V215 HydrophobicContact CB-CG1 4.29Å; R198-V215 HydrophobicContact CG-CG1 4.01Å; R198-S361 PolarHBondContact NH1-OG 3.4Å
199	Y	93.6	Very high	93.7	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.008	23%	0.227	C	C	.	.	S	Bend	trans	-130.6	139.1	179.1	-174.1	-96.8	0	0	0	112.2	P81 A82 I86 R88 S201 P352 L353	P81-Y199 HydrophobicContact CG-CD2 4.42Å; P81-Y199 WeakPolarHBondContact O-CB 3.27Å; A82-Y199 HydrophobicContact CB-CD1 4.17Å; A82-Y199 HydrophobicContact CB-CD2 4.11Å; A82-Y199 HydrophobicContact CB-CE1 3.87Å; A82-Y199 HydrophobicContact CB-CE2 3.83Å; A82-Y199 HydrophobicContact CB-CG 4.26Å; A82-Y199 WeakPolarHBondContact O-CD1 3.33Å; I86-Y199 HydrophobicContact CD1-CE1 4.23Å; I86-Y199 HydrophobicContact CG1-CE1 4.41Å; R88-Y199 PolarHBondContact NH2-O 3.46Å; Y199-S201 VanDerWaalsContact C-N 3.34Å; Y199-S201 PolarHBondContact O-N 2.66Å; Y199-P352 HydrophobicContact CE1-CB 3.72Å; Y199-P352 VanDerWaalsContact OH-CB 3.26Å; Y199-P352 WeakPolarHBondContact OH-CB 3.27Å; Y199-L353 HydrophobicContact CE2-CB 4.29Å; Y199-L353 PolarHBondContact OH-O 3.08Å
200	W	92.8	Very high	93.3	Very high	80 Å²	80	46.6 Å²	46.6	30%	0.303	23%	0.225	S	C	.	.	S	Bend	trans	44.1	54.3	179.1	-163.9	50.1	0	0	0	113.4	I86 R88 F89 V350 P352	I86-W200 HydrophobicContact CD1-CE3 3.81Å; I86-W200 HydrophobicContact CD1-CZ3 4.11Å; R88-W200 PolarHBondContact NH2-O 2.86Å; F89-W200 HydrophobicContact CB-CE3 4.02Å; F89-W200 HydrophobicContact CB-CZ3 3.73Å; F89-W200 HydrophobicContact CD1-CH2 4.08Å; F89-W200 AromaticContact CD1-CZ3 3.63Å; F89-W200 HydrophobicContact CD1-CZ3 3.63Å; F89-W200 AromaticContact CD2-CE3 3.89Å; F89-W200 HydrophobicContact CD2-CE3 3.89Å; F89-W200 AromaticContact CD2-CH2 3.69Å; F89-W200 HydrophobicContact CD2-CH2 3.69Å; F89-W200 AromaticContact CD2-CZ3 3.3Å; F89-W200 HydrophobicContact CD2-CZ3 3.3Å; F89-W200 AromaticContact CE1-CH2 3.99Å; F89-W200 HydrophobicContact CE1-CH2 3.99Å; F89-W200 HydrophobicContact CE1-CZ3 4.04Å; F89-W200 AromaticContact CE2-CH2 3.6Å; F89-W200 HydrophobicContact CE2-CH2 3.6Å; F89-W200 HydrophobicContact CE2-CZ2 4.36Å; F89-W200 AromaticContact CE2-CZ3 3.75Å; F89-W200 HydrophobicContact CE2-CZ3 3.75Å; F89-W200 AromaticContact CG-CE3 3.97Å; F89-W200 HydrophobicContact CG-CE3 3.97Å; F89-W200 AromaticContact CG-CH2 3.95Å; F89-W200 HydrophobicContact CG-CH2 3.95Å; F89-W200 AromaticContact CG-CZ3 3.26Å; F89-W200 HydrophobicContact CG-CZ3 3.26Å; F89-W200 AromaticContact CZ-CH2 3.76Å; F89-W200 HydrophobicContact CZ-CH2 3.76Å; F89-W200 HydrophobicContact CZ-CZ3 4.1Å; W200-V350 PolarHBondContact NE1-O 3.47Å; W200-P352 HydrophobicContact CB-CB 4.35Å; W200-P352 HydrophobicContact CD2-CB 4.34Å; W200-P352 HydrophobicContact CD2-CG 3.71Å; W200-P352 HydrophobicContact CE3-CG 4.07Å; W200-P352 HydrophobicContact CG-CB 4.06Å; W200-P352 HydrophobicContact CG-CG 3.96Å; W200-P352 HydrophobicContact CZ2-CG 4.24Å; W200-P352 HydrophobicContact CZ3-CG 4.44Å
201	S	95.1	Very high	93	Very high	11 Å²	11	50.8 Å²	50.8	8%	0.077	24%	0.243	C	C	.	.			trans	-133	150.5	-173.1	69.4	0	0	0	0	112.4	L151 N197 Y199 D203 G204 L205	L151-S201 WeakPolarHBondContact O-CA 3.29Å; N197-S201 WeakPolarHBondContact O-CB 3.45Å; N197-S201 PolarHBondContact O-OG 2.85Å; Y199-S201 VanDerWaalsContact C-N 3.34Å; Y199-S201 PolarHBondContact O-N 2.66Å; S201-D203 VanDerWaalsContact C-N 3.31Å; S201-D203 PolarHBondContact O-N 3.4Å; S201-G204 PolarHBondContact O-N 3.42Å; S201-G204 PolarHBondContact OG-N 3.38Å; S201-L205 PolarHBondContact O-N 3.23Å
202	I	95.3	Very high	92.7	Very high	52 Å²	52	51 Å²	51	27%	0.267	24%	0.244	S	C	.	.	H	α-helix	trans	-65.6	-35.9	173	-63.3	-177.8	0	0	0	111.1	L151 C153 G204 L205 R206	L151-I202 HydrophobicContact CB-CD1 3.85Å; L151-I202 HydrophobicContact CB-CG1 4.31Å; L151-I202 HydrophobicContact CD1-CD1 4.12Å; L151-I202 HydrophobicContact CG-CD1 4.48Å; L151-I202 PolarHBondContact O-N 3.28Å; C153-I202 HydrophobicContact CB-CB 3.95Å; C153-I202 HydrophobicContact CB-CD1 4.05Å; C153-I202 HydrophobicContact CB-CG1 4.44Å; C153-I202 HydrophobicContact CB-CG2 4.26Å; I202-G204 VanDerWaalsContact C-N 3.27Å; I202-G204 PolarHBondContact O-N 2.89Å; I202-L205 WeakPolarHBondContact O-CB 3.45Å; I202-L205 PolarHBondContact O-N 3.11Å; I202-L205 VanDerWaalsContact O-N 3.13Å; I202-R206 HydrophobicContact CG2-CG 4.44Å; I202-R206 WeakPolarHBondContact O-CG 3.34Å; I202-R206 PolarHBondContact O-N 3.41Å
203	D	94.9	Very high	92.5	Very high	11 Å²	11	49.8 Å²	49.8	6%	0.059	24%	0.237	C	C	.	.	H	α-helix	trans	-56.3	-39.9	173.3	-92.2	22.5	0	0	0	112.9	G152 F154 N197 S201 R206 N207 K210	G152-D203 VanDerWaalsContact O-CB 3.25Å; G152-D203 WeakPolarHBondContact O-CB 3.48Å; G152-D203 VanDerWaalsContact O-CG 3.3Å; G152-D203 PolarHBondContact O-N 2.89Å; F154-D203 PolarHBondContact N-OD1 3.14Å; N197-D203 HydrophobicContact CB-CB 4.24Å; N197-D203 PolarHBondContact ND2-OD2 3Å; S201-D203 VanDerWaalsContact C-N 3.31Å; S201-D203 PolarHBondContact O-N 3.4Å; D203-R206 PolarHBondContact O-N 2.93Å; D203-N207 PolarHBondContact O-N 3.48Å; D203-K210 HydrophobicContact CB-CD 4.14Å; D203-K210 IonicContact OD2-NZ 2.91Å; D203-K210 PolarHBondContact OD2-NZ 2.99Å
204	G	90.7	Very high	92.5	Very high	4 Å²	4	47.2 Å²	47.2	4%	0.041	23%	0.226	C	C	.	.	H	α-helix	trans	-72.4	-31.3	176.9	0	0	0	0	0	112.8	S201 I202 R206 N207 K211	S201-G204 PolarHBondContact O-N 3.42Å; S201-G204 PolarHBondContact OG-N 3.38Å; I202-G204 VanDerWaalsContact C-N 3.27Å; I202-G204 PolarHBondContact O-N 2.89Å; G204-R206 VanDerWaalsContact C-N 3.35Å; G204-N207 CarbonylContact O-C 3.59Å; G204-K211 WeakPolarHBondContact O-CB 3.42Å
205	L	89.9	Confident	92.5	Very high	130 Å²	130	47.2 Å²	47.2	68%	0.681	23%	0.226	S	C	*	.	H	α-helix	trans	-67.7	-36.9	172.2	-64.4	176.4	0	0	0	111.7	S201 I202	S201-L205 PolarHBondContact O-N 3.23Å; I202-L205 WeakPolarHBondContact O-CB 3.45Å; I202-L205 PolarHBondContact O-N 3.11Å; I202-L205 VanDerWaalsContact O-N 3.13Å
206	R	92.7	Very high	92.6	Very high	147 Å²	147	46.6 Å²	46.6	56%	0.555	22%	0.222	S	C	*	.	H	α-helix	trans	-78.9	-34.4	179.5	-70.2	177.2	175.2	175.7	-1.5	113.8	I202 D203 G204	I202-R206 HydrophobicContact CG2-CG 4.44Å; I202-R206 WeakPolarHBondContact O-CG 3.34Å; I202-R206 PolarHBondContact O-N 3.41Å; D203-R206 PolarHBondContact O-N 2.93Å; G204-R206 VanDerWaalsContact C-N 3.35Å
207	N	91.3	Very high	92.6	Very high	60 Å²	60	47.7 Å²	47.7	32%	0.321	23%	0.228	S	C	.	.			trans	-123.9	107.6	-179.3	-174.7	-16.3	0	0	0	111	D203 G204 Q209 K210 K211	D203-N207 PolarHBondContact O-N 3.48Å; G204-N207 CarbonylContact O-C 3.59Å; N207-Q209 PolarHBondContact O-N 3.39Å; N207-Q209 VanDerWaalsContact O-N 3.13Å; N207-Q209 WeakPolarHBondContact OD1-CB 3.39Å; N207-Q209 PolarHBondContact OD1-N 3.44Å; N207-K210 HydrophobicContact CB-CD 4.28Å; N207-K210 HydrophobicContact CB-CG 4.32Å; N207-K210 PolarHBondContact O-N 3.15Å; N207-K211 PolarHBondContact O-N 3.11Å
208	P	88.1	Confident	92.7	Very high	97 Å²	97	48.3 Å²	48.3	63%	0.63	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-31	178.8	-27.6	35.4	0	0	0	114.6	K210 K211	P208-K210 VanDerWaalsContact C-N 3.26Å; P208-K210 PolarHBondContact O-N 3.09Å; P208-K211 WeakPolarHBondContact O-CB 3.3Å; P208-K211 PolarHBondContact O-N 3.24Å
209	Q	88.1	Confident	92.9	Very high	155 Å²	155	46.9 Å²	46.9	72%	0.724	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-24.2	178.7	-63.6	-173.3	-12.4	0	0	113.4	N207	N207-Q209 PolarHBondContact O-N 3.39Å; N207-Q209 VanDerWaalsContact O-N 3.13Å; N207-Q209 WeakPolarHBondContact OD1-CB 3.39Å; N207-Q209 PolarHBondContact OD1-N 3.44Å
210	K	88.9	Confident	93	Very high	60 Å²	60	46.9 Å²	46.9	26%	0.261	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-29.6	176.1	-69.1	-178.7	176.9	175.5	0	111.4	R198 D203 N207 P208 N212 S213	R198-K210 WeakPolarHBondContact CA-O 3.49Å; D203-K210 HydrophobicContact CB-CD 4.14Å; D203-K210 IonicContact OD2-NZ 2.91Å; D203-K210 PolarHBondContact OD2-NZ 2.99Å; N207-K210 HydrophobicContact CB-CD 4.28Å; N207-K210 HydrophobicContact CB-CG 4.32Å; N207-K210 PolarHBondContact O-N 3.15Å; P208-K210 VanDerWaalsContact C-N 3.26Å; P208-K210 PolarHBondContact O-N 3.09Å; K210-N212 PolarHBondContact O-N 3.46Å; K210-S213 PolarHBondContact O-N 3.03Å; K210-S213 PolarHBondContact O-OG 2.86Å
211	K	90.3	Very high	93.1	Very high	87 Å²	87	45 Å²	45	38%	0.378	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	120	-172.2	-167.1	178.1	177	179.8	0	111.1	G204 N207 P208 S213	G204-K211 WeakPolarHBondContact O-CB 3.42Å; N207-K211 PolarHBondContact O-N 3.11Å; P208-K211 WeakPolarHBondContact O-CB 3.3Å; P208-K211 PolarHBondContact O-N 3.24Å; K211-S213 PolarHBondContact O-N 3.4Å; K211-S213 VanDerWaalsContact O-N 3.14Å
212	N	90.8	Very high	93.2	Very high	6 Å²	6	44.5 Å²	44.5	3%	0.032	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	34	176	-160.7	47.4	0	0	0	113.2	R198 K210 R337 P356 P357 P358 Q359	R198-N212 VanDerWaalsContact O-CA 3.27Å; R198-N212 WeakPolarHBondContact O-CA 3.27Å; R198-N212 PolarHBondContact O-N 3.1Å; K210-N212 PolarHBondContact O-N 3.46Å; N212-R337 PolarHBondContact OD1-NH1 3.27Å; N212-R337 PolarHBondContact OD1-NH2 2.89Å; N212-P356 PolarHBondContact ND2-O 3Å; N212-P357 PolarHBondContact ND2-O 2.51Å; N212-P358 CarbonylContact O-C 3.48Å; N212-P358 VanDerWaalsContact O-CA 3.24Å; N212-P358 WeakPolarHBondContact O-CA 3.38Å; N212-Q359 PolarHBondContact O-N 3.37Å
213	S	92.6	Very high	93.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-88	143.1	180	57.1	0	0	0	0	111.7	P81 R198 K210 K211 Q359	P81-S213 WeakPolarHBondContact CB-O 3.47Å; P81-S213 VanDerWaalsContact CG-O 3.29Å; P81-S213 WeakPolarHBondContact CG-O 3.48Å; R198-S213 VanDerWaalsContact CB-O 3.31Å; R198-S213 WeakPolarHBondContact CB-O 3.34Å; R198-S213 WeakPolarHBondContact CB-OG 3.38Å; R198-S213 WeakPolarHBondContact CD-OG 3.29Å; R198-S213 VanDerWaalsContact CG-OG 3.28Å; R198-S213 WeakPolarHBondContact CG-OG 3.15Å; R198-S213 PolarHBondContact NH1-OG 3.3Å; K210-S213 PolarHBondContact O-N 3.03Å; K210-S213 PolarHBondContact O-OG 2.86Å; K211-S213 PolarHBondContact O-N 3.4Å; K211-S213 VanDerWaalsContact O-N 3.14Å; S213-Q359 CarbonylContact C-O 3.58Å; S213-Q359 WeakPolarHBondContact CA-O 3.46Å
214	Q	94.4	Very high	93.3	Very high	40 Å²	40	43.7 Å²	43.7	19%	0.187	21%	0.212	C	C	.	.			trans	-60.4	150.4	180	-69.6	174.5	-30.3	0	0	112.1	P78 P358 Q359 S361 Y366	P78-Q214 HydrophobicContact CB-CB 4.16Å; P78-Q214 HydrophobicContact CB-CG 4.35Å; Q214-P358 HydrophobicContact CG-CB 3.42Å; Q214-P358 VanDerWaalsContact CG-CB 3.42Å; Q214-Q359 PolarHBondContact N-O 3.26Å; Q214-S361 WeakPolarHBondContact O-CB 3.42Å; Q214-S361 PolarHBondContact O-OG 3.31Å; Q214-Y366 PolarHBondContact OE1-OH 3.43Å
215	V	95.5	Very high	93.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	148.7	177.2	-67	0	0	0	0	110.6	T79 P81 L84 D195 R198 Y220	T79-V215 WeakPolarHBondContact CB-O 3.4Å; T79-V215 PolarHBondContact N-O 3.15Å; T79-V215 PolarHBondContact O-N 3.33Å; P81-V215 HydrophobicContact CB-CG1 4.05Å; P81-V215 HydrophobicContact CB-CG2 4.34Å; L84-V215 HydrophobicContact CD2-CG1 4.36Å; L84-V215 HydrophobicContact CD2-CG2 4.29Å; D195-V215 HydrophobicContact CB-CG1 3.96Å; D195-V215 WeakPolarHBondContact O-CG1 3.37Å; R198-V215 HydrophobicContact CB-CG1 4.29Å; R198-V215 HydrophobicContact CG-CG1 4.01Å; V215-Y220 HydrophobicContact CG2-CE2 3.79Å
216	P	96.3	Very high	93.9	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	148.3	176.6	29.1	-35.6	0	0	0	111.3	N76 W218 N219	N76-P216 HydrophobicContact CB-CB 4.4Å; P216-W218 HydrophobicContact CB-CG 4.47Å; P216-W218 HydrophobicContact CG-CG 4.47Å; P216-W218 HydrophobicContact CG-CZ2 4.42Å; P216-W218 PolarHBondContact O-N 2.79Å; P216-N219 PolarHBondContact O-N 3.14Å
217	L	95.6	Very high	94	Very high	24 Å²	24	31.7 Å²	31.7	13%	0.126	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-35.2	-177.6	-179	69.2	0	0	0	113.7	L74 L75 R77 N219 Y220 T221	L74-L217 HydrophobicContact CD1-CD2 4.28Å; L75-L217 PolarHBondContact O-N 3.03Å; R77-L217 HydrophobicContact CG-CB 3.93Å; R77-L217 HydrophobicContact CG-CD2 4.28Å; R77-L217 PolarHBondContact O-N 3.32Å; R77-L217 VanDerWaalsContact O-N 3.14Å; L217-N219 PolarHBondContact O-N 3.16Å; L217-Y220 PolarHBondContact O-N 3.5Å; L217-T221 PolarHBondContact O-N 3.4Å; L217-T221 PolarHBondContact O-OG1 2.66Å
218	W	96.3	Very high	94.2	Very high	18 Å²	18	30.2 Å²	30.2	7%	0.068	15%	0.148	C	C	.	.	H	α-helix	trans	-57.1	-27	-177.3	71.2	-102.6	0	0	0	113.5	L75 F193 M194 P216 Y220 T221 L222 A395	L75-W218 HydrophobicContact CB-CB 4.24Å; L75-W218 HydrophobicContact CD2-CB 4.3Å; L75-W218 PolarHBondContact O-N 3.07Å; F193-W218 HydrophobicContact CB-CH2 4.38Å; M194-W218 HydrophobicContact CE-CZ3 4.4Å; M194-W218 HydrophobicContact CG-CH2 4.11Å; M194-W218 HydrophobicContact CG-CZ3 3.85Å; P216-W218 HydrophobicContact CB-CG 4.47Å; P216-W218 HydrophobicContact CG-CG 4.47Å; P216-W218 HydrophobicContact CG-CZ2 4.42Å; P216-W218 PolarHBondContact O-N 2.79Å; W218-Y220 VanDerWaalsContact C-N 3.29Å; W218-Y220 PolarHBondContact O-N 3.2Å; W218-T221 PolarHBondContact O-N 2.73Å; W218-L222 HydrophobicContact CE3-CD1 3.57Å; W218-L222 HydrophobicContact CE3-CG 4.32Å; W218-L222 HydrophobicContact CZ3-CD1 3.68Å; W218-L222 PolarHBondContact O-N 3.39Å; W218-A395 HydrophobicContact CZ2-CB 4.31Å
219	N	97.1	Very high	94.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-58.3	-43.6	174.2	-67	7.4	0	0	0	111.1	L84 M194 D195 P216 L217	L84-N219 HydrophobicContact CD2-CB 3.95Å; M194-N219 WeakPolarHBondContact CE-O 3.08Å; M194-N219 HydrophobicContact CG-CB 4.16Å; D195-N219 PolarHBondContact N-ND2 3.4Å; P216-N219 PolarHBondContact O-N 3.14Å; L217-N219 PolarHBondContact O-N 3.16Å
220	Y	96.1	Very high	94.7	Very high	1 Å²	1	18.2 Å²	18.2	0%	0.004	8%	0.084	C	C	.	.	H	α-helix	trans	-76.7	-39	176.8	-71.7	-79	0	0	0	111.5	T79 D80 L84 V215 L217 W218 L222 L223 R224 L329 P333	T79-Y220 HydrophobicContact CG2-CD2 3.79Å; T79-Y220 HydrophobicContact CG2-CE2 3.58Å; D80-Y220 WeakPolarHBondContact O-CE2 3.18Å; D80-Y220 PolarHBondContact O-OH 3.32Å; L84-Y220 HydrophobicContact CB-CE1 4Å; L84-Y220 HydrophobicContact CB-CE2 4.43Å; L84-Y220 WeakPolarHBondContact CB-OH 3.47Å; L84-Y220 PolarHBondContact N-OH 2.86Å; V215-Y220 HydrophobicContact CG2-CE2 3.79Å; L217-Y220 PolarHBondContact O-N 3.5Å; W218-Y220 VanDerWaalsContact C-N 3.29Å; W218-Y220 PolarHBondContact O-N 3.2Å; Y220-L222 VanDerWaalsContact C-N 3.34Å; Y220-L222 PolarHBondContact O-N 3.18Å; Y220-L223 PolarHBondContact O-N 3.29Å; Y220-R224 VanDerWaalsContact O-CB 3.28Å; Y220-R224 WeakPolarHBondContact O-CB 3.26Å; Y220-R224 VanDerWaalsContact O-CG 3.27Å; Y220-R224 WeakPolarHBondContact O-CG 2.99Å; Y220-R224 PolarHBondContact O-N 3.28Å; Y220-L329 HydrophobicContact CD1-CD2 4.46Å; Y220-L329 HydrophobicContact CE1-CD2 4.42Å; Y220-P333 HydrophobicContact CE2-CB 4.35Å
221	T	95.4	Very high	95	Very high	42 Å²	42	15.5 Å²	15.5	26%	0.258	7%	0.072	S	C	.	.	H	α-helix	trans	-55.9	-48.3	178.7	-54.9	0	0	0	0	111.3	L75 L217 W218 F225 T399	L75-T221 HydrophobicContact CD2-CG2 4.34Å; L217-T221 PolarHBondContact O-N 3.4Å; L217-T221 PolarHBondContact O-OG1 2.66Å; W218-T221 PolarHBondContact O-N 2.73Å; T221-F225 WeakPolarHBondContact O-CB 3.35Å; T221-F225 PolarHBondContact O-N 3.26Å; T221-T399 HydrophobicContact CG2-CG2 4.4Å
222	L	96.3	Very high	95.2	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-62.4	-49.3	179.5	-78.3	179.6	0	0	0	112.9	M194 W218 Y220 F225 Q226 F398 T399 Y402 L403	M194-L222 HydrophobicContact CE-CB 3.52Å; M194-L222 HydrophobicContact CE-CD1 3.82Å; M194-L222 HydrophobicContact CE-CG 4.31Å; W218-L222 HydrophobicContact CE3-CD1 3.57Å; W218-L222 HydrophobicContact CE3-CG 4.32Å; W218-L222 HydrophobicContact CZ3-CD1 3.68Å; W218-L222 PolarHBondContact O-N 3.39Å; Y220-L222 VanDerWaalsContact C-N 3.34Å; Y220-L222 PolarHBondContact O-N 3.18Å; L222-F225 PolarHBondContact O-N 2.64Å; L222-Q226 WeakPolarHBondContact O-CB 3.33Å; L222-Q226 PolarHBondContact O-N 3.13Å; L222-F398 HydrophobicContact CD1-CD1 4.09Å; L222-F398 HydrophobicContact CD1-CE1 3.54Å; L222-F398 HydrophobicContact CD1-CZ 4.49Å; L222-T399 HydrophobicContact CD2-CG2 3.99Å; L222-T399 HydrophobicContact CG-CG2 4.18Å; L222-Y402 HydrophobicContact CD2-CD1 3.46Å; L222-Y402 VanDerWaalsContact CD2-CD1 3.46Å; L222-Y402 HydrophobicContact CD2-CE1 4.28Å; L222-Y402 HydrophobicContact CD2-CG 3.88Å; L222-L403 HydrophobicContact CD2-CD1 3.69Å
223	L	96.8	Very high	95.3	Very high	2 Å²	2	13.4 Å²	13.4	1%	0.01	6%	0.062	C	C	.	.	H	α-helix	trans	-65.7	-47	-178.5	-72.4	169.5	0	0	0	111.6	L84 F87 I187 Q190 M194 Y220 F225 Q226 I227 L329	L84-L223 HydrophobicContact CD1-CD1 3.51Å; F87-L223 HydrophobicContact CD1-CD1 3.78Å; F87-L223 HydrophobicContact CE1-CD1 3.64Å; F87-L223 HydrophobicContact CE1-CD2 3.62Å; F87-L223 HydrophobicContact CE1-CG 4.28Å; F87-L223 HydrophobicContact CZ-CD2 3.93Å; I187-L223 HydrophobicContact CG2-CD2 4.42Å; Q190-L223 VanDerWaalsContact OE1-CD2 3.32Å; M194-L223 HydrophobicContact CE-CD1 4.4Å; M194-L223 HydrophobicContact CE-CD2 4.36Å; M194-L223 HydrophobicContact CE-CG 3.82Å; M194-L223 HydrophobicContact SD-CD1 3.82Å; M194-L223 HydrophobicContact SD-CD2 4.31Å; M194-L223 HydrophobicContact SD-CG 3.85Å; Y220-L223 PolarHBondContact O-N 3.29Å; L223-F225 VanDerWaalsContact C-N 3.31Å; L223-F225 PolarHBondContact O-N 3.21Å; L223-Q226 PolarHBondContact O-N 3.42Å; L223-I227 WeakPolarHBondContact O-CG1 3.38Å; L223-I227 PolarHBondContact O-N 2.92Å; L223-L329 HydrophobicContact CB-CD1 4.02Å; L223-L329 HydrophobicContact CD1-CD1 4.29Å; L223-L329 HydrophobicContact CD1-CD2 4.26Å
224	R	96.3	Very high	95.2	Very high	43 Å²	43	13.4 Å²	13.4	16%	0.162	6%	0.062	C	C	.	.	H	α-helix	trans	-61.6	-42.7	178.4	-71	173.8	178.7	-177.3	-4.8	110.9	Y220 I227 F228 L329 F330 C331	Y220-R224 VanDerWaalsContact O-CB 3.28Å; Y220-R224 WeakPolarHBondContact O-CB 3.26Å; Y220-R224 VanDerWaalsContact O-CG 3.27Å; Y220-R224 WeakPolarHBondContact O-CG 2.99Å; Y220-R224 PolarHBondContact O-N 3.28Å; R224-I227 PolarHBondContact O-N 3.27Å; R224-F228 VanDerWaalsContact O-CB 3.23Å; R224-F228 WeakPolarHBondContact O-CB 3.47Å; R224-F228 PolarHBondContact O-N 2.99Å; R224-L329 VanDerWaalsContact CZ-O 3.22Å; R224-L329 PolarHBondContact NE-O 3.22Å; R224-L329 PolarHBondContact NH2-O 3.13Å; R224-F330 HydrophobicContact CB-CE1 3.99Å; R224-F330 HydrophobicContact CB-CZ 4.19Å; R224-F330 HydrophobicContact CG-CD1 4.28Å; R224-F330 HydrophobicContact CG-CE1 4.21Å; R224-F330 HydrophobicContact CG-CZ 4.46Å; R224-F330 WeakPolarHBondContact O-CZ 3.25Å; R224-C331 PolarHBondContact NH2-O 2.91Å
225	F	95.9	Very high	95.2	Very high	28 Å²	28	11.5 Å²	11.5	12%	0.123	5%	0.053	C	C	.	.	H	α-helix	trans	-63.3	-43.8	176.1	176.8	-99	0	0	0	112.1	T221 L222 L223 I227 F228 I229 L403 Q406 F407	T221-F225 WeakPolarHBondContact O-CB 3.35Å; T221-F225 PolarHBondContact O-N 3.26Å; L222-F225 PolarHBondContact O-N 2.64Å; L223-F225 VanDerWaalsContact C-N 3.31Å; L223-F225 PolarHBondContact O-N 3.21Å; F225-I227 VanDerWaalsContact C-N 3.31Å; F225-I227 PolarHBondContact O-N 3.26Å; F225-F228 WeakPolarHBondContact O-CB 3.21Å; F225-F228 PolarHBondContact O-N 2.73Å; F225-I229 HydrophobicContact CE1-CD1 4.24Å; F225-I229 HydrophobicContact CZ-CB 4.44Å; F225-I229 HydrophobicContact CZ-CD1 3.85Å; F225-I229 WeakPolarHBondContact O-CG2 3.3Å; F225-I229 PolarHBondContact O-N 2.76Å; F225-L403 HydrophobicContact CB-CD1 4.27Å; F225-L403 HydrophobicContact CD1-CD1 3.48Å; F225-L403 VanDerWaalsContact CD1-CD1 3.48Å; F225-L403 HydrophobicContact CD1-CG 3.69Å; F225-L403 HydrophobicContact CD2-CG 4.13Å; F225-L403 HydrophobicContact CE1-CB 4.18Å; F225-L403 HydrophobicContact CE1-CD1 3.93Å; F225-L403 HydrophobicContact CE1-CG 3.74Å; F225-L403 HydrophobicContact CE2-CG 4.18Å; F225-L403 HydrophobicContact CG-CD1 3.84Å; F225-L403 HydrophobicContact CG-CG 3.88Å; F225-L403 HydrophobicContact CZ-CB 4.31Å; F225-L403 HydrophobicContact CZ-CG 3.99Å; F225-Q406 HydrophobicContact CE1-CB 3.9Å; F225-F407 HydrophobicContact CE2-CD2 4.13Å; F225-F407 AromaticContact CE2-CE2 3.33Å; F225-F407 HydrophobicContact CE2-CE2 3.33Å; F225-F407 AromaticContact CE2-CZ 3.57Å; F225-F407 HydrophobicContact CE2-CZ 3.57Å; F225-F407 AromaticContact CZ-CD2 3.64Å; F225-F407 HydrophobicContact CZ-CD2 3.64Å; F225-F407 AromaticContact CZ-CE2 3.33Å; F225-F407 HydrophobicContact CZ-CE2 3.33Å; F225-F407 HydrophobicContact CZ-CG 4.36Å; F225-F407 AromaticContact CZ-CZ 3.81Å; F225-F407 HydrophobicContact CZ-CZ 3.81Å
226	Q	96.3	Very high	95.1	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-60	-41.8	177.5	-174.7	62.8	51.3	0	0	112.1	L183 L222 L223 I229 V230 Y402	L183-Q226 HydrophobicContact CD1-CG 3.64Å; L222-Q226 WeakPolarHBondContact O-CB 3.33Å; L222-Q226 PolarHBondContact O-N 3.13Å; L223-Q226 PolarHBondContact O-N 3.42Å; Q226-I229 WeakPolarHBondContact O-CG2 3.48Å; Q226-V230 VanDerWaalsContact O-CG2 3.27Å; Q226-V230 WeakPolarHBondContact O-CG2 3.2Å; Q226-V230 PolarHBondContact O-N 3.41Å; Q226-Y402 PolarHBondContact OE1-OH 3.4Å
227	I	95.6	Very high	94.8	Very high	2 Å²	2	15.9 Å²	15.9	1%	0.01	7%	0.074	C	C	.	.	H	α-helix	trans	-72.2	-39.4	177.8	-60.4	-58.4	0	0	0	110.9	I187 L223 R224 F225 V230 Y231 M323 T326 F330	I187-I227 HydrophobicContact CD1-CD1 4.29Å; L223-I227 WeakPolarHBondContact O-CG1 3.38Å; L223-I227 PolarHBondContact O-N 2.92Å; R224-I227 PolarHBondContact O-N 3.27Å; F225-I227 VanDerWaalsContact C-N 3.31Å; F225-I227 PolarHBondContact O-N 3.26Å; I227-V230 PolarHBondContact O-N 3.36Å; I227-Y231 HydrophobicContact CG2-CD2 4.24Å; I227-Y231 HydrophobicContact CG2-CE2 3.74Å; I227-Y231 VanDerWaalsContact O-CD2 3.24Å; I227-Y231 WeakPolarHBondContact O-CD2 3.41Å; I227-Y231 PolarHBondContact O-N 3.36Å; I227-M323 HydrophobicContact CD1-CE 4.39Å; I227-M323 HydrophobicContact CD1-SD 4.37Å; I227-M323 HydrophobicContact CG2-CE 3.86Å; I227-T326 HydrophobicContact CD1-CG2 3.63Å; I227-T326 HydrophobicContact CG1-CG2 4.18Å; I227-F330 HydrophobicContact CB-CE2 3.98Å; I227-F330 HydrophobicContact CB-CZ 4.05Å; I227-F330 HydrophobicContact CG2-CE2 3.73Å; I227-F330 HydrophobicContact CG2-CZ 4.05Å
228	F	95.6	Very high	94.6	Very high	28 Å²	28	15.2 Å²	15.2	12%	0.123	7%	0.07	C	C	.	.	H	α-helix	trans	-57.8	-48.9	175.5	176	-82.9	0	0	0	111.9	R224 F225 V230 Y231 F232 G287 Y288	R224-F228 VanDerWaalsContact O-CB 3.23Å; R224-F228 WeakPolarHBondContact O-CB 3.47Å; R224-F228 PolarHBondContact O-N 2.99Å; F225-F228 WeakPolarHBondContact O-CB 3.21Å; F225-F228 PolarHBondContact O-N 2.73Å; F228-V230 VanDerWaalsContact C-N 3.3Å; F228-V230 PolarHBondContact O-N 3.4Å; F228-Y231 PolarHBondContact O-N 3.48Å; F228-F232 HydrophobicContact CD1-CB 4.26Å; F228-F232 HydrophobicContact CE1-CB 3.84Å; F228-F232 HydrophobicContact CE1-CD1 4.28Å; F228-F232 HydrophobicContact CE1-CG 4.01Å; F228-F232 HydrophobicContact CZ-CB 4.3Å; F228-F232 HydrophobicContact CZ-CG 4.33Å; F228-F232 WeakPolarHBondContact O-CB 3.45Å; F228-F232 PolarHBondContact O-N 3.43Å; F228-G287 VanDerWaalsContact CD2-C 3.43Å; F228-G287 VanDerWaalsContact CE2-C 3.49Å; F228-Y288 HydrophobicContact CE2-CD1 4.06Å; F228-Y288 HydrophobicContact CE2-CD2 4.28Å; F228-Y288 HydrophobicContact CE2-CE1 4.08Å; F228-Y288 HydrophobicContact CE2-CE2 4.29Å; F228-Y288 HydrophobicContact CE2-CG 4.17Å; F228-Y288 HydrophobicContact CZ-CD1 4.3Å; F228-Y288 HydrophobicContact CZ-CD2 4.41Å; F228-Y288 AromaticContact CZ-CE1 3.85Å; F228-Y288 HydrophobicContact CZ-CE1 3.85Å; F228-Y288 AromaticContact CZ-CE2 3.96Å; F228-Y288 HydrophobicContact CZ-CE2 3.96Å; F228-Y288 AromaticContact CZ-CZ 3.66Å
229	I	93.9	Very high	94.5	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-67.3	-31.7	-174.5	-163.8	165.6	0	0	0	112.3	F225 Q226 F232 I233 Q406 F407	F225-I229 HydrophobicContact CE1-CD1 4.24Å; F225-I229 HydrophobicContact CZ-CB 4.44Å; F225-I229 HydrophobicContact CZ-CD1 3.85Å; F225-I229 WeakPolarHBondContact O-CG2 3.3Å; F225-I229 PolarHBondContact O-N 2.76Å; Q226-I229 WeakPolarHBondContact O-CG2 3.48Å; I229-F232 PolarHBondContact O-N 2.87Å; I229-I233 HydrophobicContact CD1-CG1 4.26Å; I229-I233 HydrophobicContact CG1-CD1 4.3Å; I229-I233 HydrophobicContact CG1-CG1 3.5Å; I229-I233 WeakPolarHBondContact O-CB 2.87Å; I229-I233 VanDerWaalsContact O-CG1 3.31Å; I229-I233 WeakPolarHBondContact O-CG1 3.21Å; I229-I233 PolarHBondContact O-N 3.03Å; I229-Q406 HydrophobicContact CD1-CB 4.04Å; I229-Q406 WeakPolarHBondContact CD1-O 3.39Å; I229-F407 HydrophobicContact CD1-CD1 3.87Å; I229-F407 HydrophobicContact CD1-CE1 4.13Å; I229-F407 HydrophobicContact CD1-CG 4.2Å
230	V	93.6	Very high	94.1	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.006	11%	0.11	C	C	.	.	H	α-helix	trans	-60.5	-46.7	174.8	171.6	0	0	0	0	110.8	L183 Q226 I227 F228 A234 W431 M433	L183-V230 HydrophobicContact CD1-CG2 3.99Å; L183-V230 HydrophobicContact CD2-CG2 4.27Å; Q226-V230 VanDerWaalsContact O-CG2 3.27Å; Q226-V230 WeakPolarHBondContact O-CG2 3.2Å; Q226-V230 PolarHBondContact O-N 3.41Å; I227-V230 PolarHBondContact O-N 3.36Å; F228-V230 VanDerWaalsContact C-N 3.3Å; F228-V230 PolarHBondContact O-N 3.4Å; V230-A234 WeakPolarHBondContact O-CB 2.97Å; V230-A234 PolarHBondContact O-N 3.21Å; V230-W431 HydrophobicContact CG1-CE3 4.41Å; V230-W431 HydrophobicContact CG2-CD2 4.04Å; V230-W431 HydrophobicContact CG2-CE3 3.79Å; V230-W431 HydrophobicContact CG2-CH2 4.01Å; V230-W431 HydrophobicContact CG2-CZ2 4.25Å; V230-W431 HydrophobicContact CG2-CZ3 3.78Å; V230-M433 HydrophobicContact CG1-CE 3.73Å; V230-M433 HydrophobicContact CG1-SD 4.34Å
231	Y	94	Very high	93.8	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.008	13%	0.13	C	C	.	.	H	α-helix	trans	-66.6	-51.5	175.5	-69.9	-65.2	0	0	0	111.4	I227 F228 I233 A234 G235 D283 A286 L290 V303 H307 M323	I227-Y231 HydrophobicContact CG2-CD2 4.24Å; I227-Y231 HydrophobicContact CG2-CE2 3.74Å; I227-Y231 VanDerWaalsContact O-CD2 3.24Å; I227-Y231 WeakPolarHBondContact O-CD2 3.41Å; I227-Y231 PolarHBondContact O-N 3.36Å; F228-Y231 PolarHBondContact O-N 3.48Å; Y231-I233 PolarHBondContact O-N 2.92Å; Y231-A234 PolarHBondContact O-N 3.16Å; Y231-G235 PolarHBondContact O-N 2.92Å; Y231-D283 CarbonylContact C-O 3.39Å; Y231-D283 VanDerWaalsContact C-O 3.27Å; Y231-D283 VanDerWaalsContact O-O 3.05Å; Y231-A286 HydrophobicContact CD1-CB 3.99Å; Y231-A286 HydrophobicContact CD2-CB 4.31Å; Y231-A286 HydrophobicContact CE1-CB 4.41Å; Y231-A286 HydrophobicContact CG-CB 3.95Å; Y231-L290 HydrophobicContact CE2-CD1 4.34Å; Y231-V303 WeakPolarHBondContact OH-CG1 3.27Å; Y231-H307 AromaticContact CE1-NE2 3.69Å; Y231-H307 AromaticContact CZ-NE2 3.64Å; Y231-H307 PolarHBondContact OH-NE2 2.96Å; Y231-M323 HydrophobicContact CD2-CE 4.47Å; Y231-M323 HydrophobicContact CE1-CE 4.17Å; Y231-M323 HydrophobicContact CE2-CE 3.61Å; Y231-M323 VanDerWaalsContact CZ-CE 3.41Å; Y231-M323 WeakPolarHBondContact OH-CE 3.25Å
232	F	94.3	Very high	93.5	Very high	47 Å²	47	23.1 Å²	23.1	21%	0.206	12%	0.119	C	C	.	.	H	α-helix	trans	-63.5	-45.5	-171.7	-176.1	-114	0	0	0	112.5	F228 I229 G235 I236 Y288	F228-F232 HydrophobicContact CD1-CB 4.26Å; F228-F232 HydrophobicContact CE1-CB 3.84Å; F228-F232 HydrophobicContact CE1-CD1 4.28Å; F228-F232 HydrophobicContact CE1-CG 4.01Å; F228-F232 HydrophobicContact CZ-CB 4.3Å; F228-F232 HydrophobicContact CZ-CG 4.33Å; F228-F232 WeakPolarHBondContact O-CB 3.45Å; F228-F232 PolarHBondContact O-N 3.43Å; I229-F232 PolarHBondContact O-N 2.87Å; F232-G235 PolarHBondContact O-N 2.91Å; F232-I236 HydrophobicContact CD1-CD1 3.88Å; F232-I236 HydrophobicContact CE1-CD1 3.4Å; F232-I236 VanDerWaalsContact CE1-CD1 3.4Å; F232-I236 HydrophobicContact CE1-CG1 4.41Å; F232-I236 HydrophobicContact CE2-CD1 4.32Å; F232-I236 HydrophobicContact CZ-CD1 3.66Å; F232-I236 HydrophobicContact CZ-CG1 4.33Å; F232-I236 WeakPolarHBondContact O-CG1 2.9Å; F232-I236 PolarHBondContact O-N 3.47Å; F232-Y288 AromaticContact CD2-CE2 3.84Å; F232-Y288 HydrophobicContact CD2-CE2 3.84Å; F232-Y288 AromaticContact CE2-CE2 3.87Å; F232-Y288 HydrophobicContact CE2-CE2 3.87Å; F232-Y288 WeakPolarHBondContact CE2-OH 3.45Å
233	I	92.8	Very high	93.4	Very high	2 Å²	2	24 Å²	24	1%	0.01	12%	0.122	C	C	.	.	H	α-helix	trans	-68.9	-39.2	177	-59.8	-62.5	0	0	0	110.6	I229 Y231 G235 I236 K237 P410 Y411 W431	I229-I233 HydrophobicContact CD1-CG1 4.26Å; I229-I233 HydrophobicContact CG1-CD1 4.3Å; I229-I233 HydrophobicContact CG1-CG1 3.5Å; I229-I233 WeakPolarHBondContact O-CB 2.87Å; I229-I233 VanDerWaalsContact O-CG1 3.31Å; I229-I233 WeakPolarHBondContact O-CG1 3.21Å; I229-I233 PolarHBondContact O-N 3.03Å; Y231-I233 PolarHBondContact O-N 2.92Å; I233-G235 VanDerWaalsContact C-N 3.25Å; I233-G235 PolarHBondContact O-N 3.14Å; I233-I236 HydrophobicContact CD1-CD1 4.28Å; I233-I236 PolarHBondContact O-N 3.46Å; I233-K237 HydrophobicContact CG2-CG 4.15Å; I233-K237 WeakPolarHBondContact O-CB 3.43Å; I233-K237 VanDerWaalsContact O-CG 3.22Å; I233-K237 WeakPolarHBondContact O-CG 3.2Å; I233-K237 PolarHBondContact O-N 2.93Å; I233-P410 HydrophobicContact CG2-CB 4.12Å; I233-Y411 HydrophobicContact CD1-CE2 4.11Å; I233-W431 HydrophobicContact CB-CB 4.11Å; I233-W431 HydrophobicContact CB-CG 4.4Å; I233-W431 HydrophobicContact CG2-CB 3.92Å; I233-W431 HydrophobicContact CG2-CG 4.4Å
234	A	91.8	Very high	93.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-59.9	-38	174.2	0	0	0	0	0	112.2	V230 Y231 K237 K238 M433	V230-A234 WeakPolarHBondContact O-CB 2.97Å; V230-A234 PolarHBondContact O-N 3.21Å; Y231-A234 PolarHBondContact O-N 3.16Å; A234-K237 PolarHBondContact O-N 2.83Å; A234-K238 WeakPolarHBondContact O-CG 3.3Å; A234-K238 PolarHBondContact O-N 3.14Å; A234-K238 VanDerWaalsContact O-N 3.11Å; A234-M433 HydrophobicContact CB-CE 3.46Å; A234-M433 VanDerWaalsContact CB-CE 3.46Å
235	G	94	Very high	92.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-65.5	-44.2	173.3	0	0	0	0	0	112.5	Y231 F232 I233 K237 K238 L239 L280 L284	Y231-G235 PolarHBondContact O-N 2.92Å; F232-G235 PolarHBondContact O-N 2.91Å; I233-G235 VanDerWaalsContact C-N 3.25Å; I233-G235 PolarHBondContact O-N 3.14Å; G235-K237 VanDerWaalsContact C-N 3.28Å; G235-K237 PolarHBondContact O-N 3.36Å; G235-K238 WeakPolarHBondContact O-CB 3.44Å; G235-K238 PolarHBondContact O-N 2.93Å; G235-K238 VanDerWaalsContact O-N 3.15Å; G235-L239 PolarHBondContact O-N 2.61Å; G235-L280 VanDerWaalsContact O-CD1 3.3Å; G235-L280 WeakPolarHBondContact O-CD1 3.35Å; G235-L284 VanDerWaalsContact C-CD2 3.43Å
236	I	93.2	Very high	92.5	Very high	51 Å²	51	29.8 Å²	29.8	26%	0.262	16%	0.159	S	C	.	.	H	α-helix	trans	-59.8	-41.5	174.8	-71.5	173.6	0	0	0	110.9	F232 I233 K238 L239 L284	F232-I236 HydrophobicContact CD1-CD1 3.88Å; F232-I236 HydrophobicContact CE1-CD1 3.4Å; F232-I236 VanDerWaalsContact CE1-CD1 3.4Å; F232-I236 HydrophobicContact CE1-CG1 4.41Å; F232-I236 HydrophobicContact CE2-CD1 4.32Å; F232-I236 HydrophobicContact CZ-CD1 3.66Å; F232-I236 HydrophobicContact CZ-CG1 4.33Å; F232-I236 WeakPolarHBondContact O-CG1 2.9Å; F232-I236 PolarHBondContact O-N 3.47Å; I233-I236 HydrophobicContact CD1-CD1 4.28Å; I233-I236 PolarHBondContact O-N 3.46Å; I236-K238 VanDerWaalsContact C-N 3.25Å; I236-K238 PolarHBondContact O-N 3.33Å; I236-L239 VanDerWaalsContact O-CB 3.29Å; I236-L239 WeakPolarHBondContact O-CB 3.05Å; I236-L239 PolarHBondContact O-N 3.35Å; I236-L239 VanDerWaalsContact O-N 3.11Å; I236-L284 HydrophobicContact CG1-CD2 4.13Å
237	K	89.6	Confident	92.1	Very high	43 Å²	43	31.4 Å²	31.4	19%	0.187	17%	0.166	C	C	.	.	H	α-helix	trans	-69.8	-23.1	179.6	-65.6	-67.3	-168.8	119.9	0	113	I233 A234 G235 L239 D240 D432 V435	I233-K237 HydrophobicContact CG2-CG 4.15Å; I233-K237 WeakPolarHBondContact O-CB 3.43Å; I233-K237 VanDerWaalsContact O-CG 3.22Å; I233-K237 WeakPolarHBondContact O-CG 3.2Å; I233-K237 PolarHBondContact O-N 2.93Å; A234-K237 PolarHBondContact O-N 2.83Å; G235-K237 VanDerWaalsContact C-N 3.28Å; G235-K237 PolarHBondContact O-N 3.36Å; K237-L239 VanDerWaalsContact C-N 3.27Å; K237-D240 WeakPolarHBondContact O-CB 3.32Å; K237-D240 PolarHBondContact O-N 3.5Å; K237-D432 WeakPolarHBondContact CD-OD1 3.17Å; K237-D432 WeakPolarHBondContact CE-OD1 3.41Å; K237-D432 WeakPolarHBondContact CG-OD1 3.1Å; K237-D432 IonicContact NZ-OD1 3.18Å; K237-D432 PolarHBondContact NZ-OD1 3.18Å; K237-D432 IonicContact NZ-OD2 3.85Å; K237-D432 PolarHBondContact NZ-OD2 3.1Å; K237-V435 HydrophobicContact CB-CG2 4.5Å
238	K	92.3	Very high	91.8	Very high	9 Å²	9	31.3 Å²	31.3	4%	0.039	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-2.2	171.4	-74.7	-179.7	174.1	76	0	114.1	A234 G235 I236 D240 W243 L280 D283 M433 V435	A234-K238 WeakPolarHBondContact O-CG 3.3Å; A234-K238 PolarHBondContact O-N 3.14Å; A234-K238 VanDerWaalsContact O-N 3.11Å; G235-K238 WeakPolarHBondContact O-CB 3.44Å; G235-K238 PolarHBondContact O-N 2.93Å; G235-K238 VanDerWaalsContact O-N 3.15Å; I236-K238 VanDerWaalsContact C-N 3.25Å; I236-K238 PolarHBondContact O-N 3.33Å; K238-D240 PolarHBondContact O-N 3.34Å; K238-W243 HydrophobicContact CB-CD2 4.07Å; K238-W243 HydrophobicContact CB-CG 3.84Å; K238-W243 HydrophobicContact CD-CD2 3.96Å; K238-W243 VanDerWaalsContact CD-CE2 3.47Å; K238-W243 HydrophobicContact CD-CE3 4.42Å; K238-W243 HydrophobicContact CD-CH2 4.04Å; K238-W243 HydrophobicContact CD-CZ2 3.52Å; K238-W243 HydrophobicContact CD-CZ3 4.46Å; K238-W243 HydrophobicContact CG-CD2 3.65Å; K238-W243 HydrophobicContact CG-CE3 4.07Å; K238-W243 HydrophobicContact CG-CG 3.96Å; K238-W243 HydrophobicContact CG-CZ2 4.18Å; K238-W243 WeakPolarHBondContact O-CB 3.44Å; K238-L280 HydrophobicContact CB-CB 4.42Å; K238-L280 HydrophobicContact CB-CD1 3.62Å; K238-D283 VanDerWaalsContact CE-OD2 3.27Å; K238-D283 WeakPolarHBondContact CE-OD2 3.47Å; K238-D283 IonicContact NZ-OD2 3.23Å; K238-D283 PolarHBondContact NZ-OD2 3.3Å; K238-M433 PolarHBondContact NZ-O 3.41Å; K238-V435 HydrophobicContact CG-CG2 4.34Å
239	L	92.8	Very high	91.1	Very high	99 Å²	99	30.8 Å²	30.8	52%	0.518	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-1.5	167.7	-65.4	169.7	0	0	0	112.5	G235 I236 K237 L280 L284	G235-L239 PolarHBondContact O-N 2.61Å; I236-L239 VanDerWaalsContact O-CB 3.29Å; I236-L239 WeakPolarHBondContact O-CB 3.05Å; I236-L239 PolarHBondContact O-N 3.35Å; I236-L239 VanDerWaalsContact O-N 3.11Å; K237-L239 VanDerWaalsContact C-N 3.27Å; L239-L280 HydrophobicContact CD2-CD1 3.92Å; L239-L280 HydrophobicContact CD2-CD2 4.15Å; L239-L280 HydrophobicContact CG-CD1 4.17Å; L239-L284 HydrophobicContact CD2-CD1 4.25Å
240	D	89.7	Confident	90.4	Very high	70 Å²	70	32.2 Å²	32.2	37%	0.374	17%	0.174	S	C	.	.	S	Bend	trans	-58.4	144.3	171	-173.6	-96	0	0	0	111.5	K237 K238 D242 W243 V244 V435	K237-D240 WeakPolarHBondContact O-CB 3.32Å; K237-D240 PolarHBondContact O-N 3.5Å; K238-D240 PolarHBondContact O-N 3.34Å; D240-D242 VanDerWaalsContact C-N 3.26Å; D240-D242 PolarHBondContact O-N 3.17Å; D240-D242 WeakPolarHBondContact OD1-CB 3.34Å; D240-D242 PolarHBondContact OD1-N 3.43Å; D240-W243 PolarHBondContact O-N 3.44Å; D240-W243 VanDerWaalsContact O-N 3.09Å; D240-V244 WeakPolarHBondContact O-CG2 3.44Å; D240-V244 PolarHBondContact O-N 3.31Å; D240-V435 HydrophobicContact CB-CG1 4.44Å
241	A	89.3	Confident	89.7	Confident	52 Å²	52	37.7 Å²	37.7	43%	0.43	20%	0.195	S	C	.	.	H	α-helix	trans	-57.4	-39.2	-177.4	0	0	0	0	0	112.1	W243 V244 E245	A241-W243 PolarHBondContact O-N 2.85Å; A241-V244 PolarHBondContact O-N 3.22Å; A241-E245 VanDerWaalsContact O-CB 3.27Å; A241-E245 WeakPolarHBondContact O-CB 3.16Å; A241-E245 VanDerWaalsContact O-CG 3.29Å; A241-E245 WeakPolarHBondContact O-CG 3.07Å; A241-E245 PolarHBondContact O-N 3.21Å
242	D	90.5	Very high	89.2	Confident	7 Å²	7	38.3 Å²	38.3	4%	0.037	20%	0.198	C	C	.	.	H	α-helix	trans	-65.4	-28.5	-179.3	-72.1	-16.6	0	0	0	112.8	D240 Y247 S248 N506 R508 R545	D240-D242 VanDerWaalsContact C-N 3.26Å; D240-D242 PolarHBondContact O-N 3.17Å; D240-D242 WeakPolarHBondContact OD1-CB 3.34Å; D240-D242 PolarHBondContact OD1-N 3.43Å; D242-Y247 PolarHBondContact O-N 3.23Å; D242-S248 VanDerWaalsContact C-OG 3.23Å; D242-S248 PolarHBondContact O-N 3.13Å; D242-S248 PolarHBondContact O-OG 2.71Å; D242-N506 HydrophobicContact CB-CB 4.32Å; D242-N506 WeakPolarHBondContact CB-ND2 3.49Å; D242-N506 PolarHBondContact OD2-ND2 2.89Å; D242-R508 IonicContact OD1-CZ 2.97Å; D242-R508 IonicContact OD1-NH1 3.59Å; D242-R508 IonicContact OD1-NH2 2.86Å; D242-R508 PolarHBondContact OD1-NH2 2.96Å; D242-R508 IonicContact OD2-CZ 2.73Å; D242-R508 VanDerWaalsContact OD2-CZ 3.23Å; D242-R508 IonicContact OD2-NH1 3.65Å; D242-R508 PolarHBondContact OD2-NH1 3.21Å; D242-R508 IonicContact OD2-NH2 3.66Å; D242-R508 PolarHBondContact OD2-NH2 3.42Å; D242-R545 VanDerWaalsContact CG-NH2 3.32Å; D242-R545 IonicContact OD1-CZ 2.8Å; D242-R545 VanDerWaalsContact OD1-CZ 3.28Å; D242-R545 IonicContact OD1-NH1 2.72Å; D242-R545 PolarHBondContact OD1-NH1 3.5Å; D242-R545 IonicContact OD1-NH2 3.73Å; D242-R545 PolarHBondContact OD1-NH2 2.85Å; D242-R545 IonicContact OD2-NH2 3.52Å; D242-R545 PolarHBondContact OD2-NH2 2.94Å
243	W	92.4	Very high	88.8	Confident	17 Å²	17	36.2 Å²	36.2	6%	0.064	19%	0.189	C	C	.	.	H	α-helix	trans	-81.4	-47.4	175.6	-176.2	-80.3	0	0	0	110.8	K238 D240 A241 E245 G246 S248 H276 M434	K238-W243 HydrophobicContact CB-CD2 4.07Å; K238-W243 HydrophobicContact CB-CG 3.84Å; K238-W243 HydrophobicContact CD-CD2 3.96Å; K238-W243 VanDerWaalsContact CD-CE2 3.47Å; K238-W243 HydrophobicContact CD-CE3 4.42Å; K238-W243 HydrophobicContact CD-CH2 4.04Å; K238-W243 HydrophobicContact CD-CZ2 3.52Å; K238-W243 HydrophobicContact CD-CZ3 4.46Å; K238-W243 HydrophobicContact CG-CD2 3.65Å; K238-W243 HydrophobicContact CG-CE3 4.07Å; K238-W243 HydrophobicContact CG-CG 3.96Å; K238-W243 HydrophobicContact CG-CZ2 4.18Å; K238-W243 WeakPolarHBondContact O-CB 3.44Å; D240-W243 PolarHBondContact O-N 3.44Å; D240-W243 VanDerWaalsContact O-N 3.09Å; A241-W243 PolarHBondContact O-N 2.85Å; W243-E245 VanDerWaalsContact C-N 3.26Å; W243-E245 PolarHBondContact O-N 3.41Å; W243-G246 PolarHBondContact O-N 3.23Å; W243-G246 VanDerWaalsContact O-N 3.15Å; W243-S248 PolarHBondContact N-OG 2.68Å; W243-H276 AromaticContact CD2-CD2 3.87Å; W243-H276 AromaticContact CE2-CD2 3.98Å; W243-H276 PolarHBondContact NE1-O 3.11Å; W243-H276 WeakPolarHBondContact O-CB 3.11Å; W243-H276 PolarHBondContact O-CD2 3.17Å; W243-M434 VanDerWaalsContact CZ3-O 3.32Å; W243-M434 WeakPolarHBondContact CZ3-O 3.37Å
244	V	92.6	Very high	88.4	Confident	73 Å²	73	41.5 Å²	41.5	44%	0.442	21%	0.214	S	C	.	.	H	α-helix	trans	-63.2	-34.4	-177.5	175.6	0	0	0	0	111.8	D240 A241 L272 L280	D240-V244 WeakPolarHBondContact O-CG2 3.44Å; D240-V244 PolarHBondContact O-N 3.31Å; A241-V244 PolarHBondContact O-N 3.22Å; V244-L272 VanDerWaalsContact O-CD1 3.25Å; V244-L272 WeakPolarHBondContact O-CD1 3.43Å; V244-L280 HydrophobicContact CG2-CD2 4.23Å
245	E	89.6	Confident	88.1	Confident	113 Å²	113	44 Å²	44	53%	0.528	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-8	179.2	-65.9	175.6	172.4	0	0	113.7	A241 W243 Y247	A241-E245 VanDerWaalsContact O-CB 3.27Å; A241-E245 WeakPolarHBondContact O-CB 3.16Å; A241-E245 VanDerWaalsContact O-CG 3.29Å; A241-E245 WeakPolarHBondContact O-CG 3.07Å; A241-E245 PolarHBondContact O-N 3.21Å; W243-E245 VanDerWaalsContact C-N 3.26Å; W243-E245 PolarHBondContact O-N 3.41Å; E245-Y247 HydrophobicContact CB-CD2 3.63Å; E245-Y247 HydrophobicContact CB-CE2 3.62Å; E245-Y247 HydrophobicContact CG-CE2 4.5Å; E245-Y247 VanDerWaalsContact OE2-CE2 3.3Å; E245-Y247 WeakPolarHBondContact OE2-CE2 3.22Å
246	G	89.3	Confident	87.7	Confident	10 Å²	10	51.4 Å²	51.4	10%	0.103	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.8	12	174.6	0	0	0	0	0	116.2	W243 S248 H276	W243-G246 PolarHBondContact O-N 3.23Å; W243-G246 VanDerWaalsContact O-N 3.15Å; G246-S248 VanDerWaalsContact C-N 3.34Å; G246-H276 VanDerWaalsContact CA-CE1 3.48Å; G246-H276 WeakPolarHBondContact CA-CE1 3.33Å; G246-H276 WeakPolarHBondContact CA-NE2 3.34Å; G246-H276 PolarHBondContact O-CE1 3.49Å; G246-H276 VanDerWaalsContact O-CE1 3.27Å
247	Y	88.1	Confident	87.4	Confident	34 Å²	34	50.5 Å²	50.5	13%	0.133	25%	0.249	C	C	.	.			trans	-84	-6.4	-178.8	-64.6	-61.9	0	0	0	114	D242 E245 R545	D242-Y247 PolarHBondContact O-N 3.23Å; E245-Y247 HydrophobicContact CB-CD2 3.63Å; E245-Y247 HydrophobicContact CB-CE2 3.62Å; E245-Y247 HydrophobicContact CG-CE2 4.5Å; E245-Y247 VanDerWaalsContact OE2-CE2 3.3Å; E245-Y247 WeakPolarHBondContact OE2-CE2 3.22Å; Y247-R545 HydrophobicContact CD1-CB 4.4Å; Y247-R545 HydrophobicContact CE1-CB 3.75Å; Y247-R545 HydrophobicContact CE1-CG 4.31Å
248	S	87.8	Confident	87.3	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	-97.3	111.4	-175.6	-59.7	0	0	0	0	111	D242 W243 G246 S250 H276 V435	D242-S248 VanDerWaalsContact C-OG 3.23Å; D242-S248 PolarHBondContact O-N 3.13Å; D242-S248 PolarHBondContact O-OG 2.71Å; W243-S248 PolarHBondContact N-OG 2.68Å; G246-S248 VanDerWaalsContact C-N 3.34Å; S248-S250 VanDerWaalsContact C-N 3.3Å; S248-S250 PolarHBondContact O-N 2.89Å; S248-H276 PolarHBondContact N-NE2 2.91Å; S248-H276 PolarHBondContact O-CE1 2.84Å; S248-H276 VanDerWaalsContact O-CE1 3.29Å; S248-H276 PolarHBondContact O-NE2 3.43Å; S248-V435 PolarHBondContact OG-O 3.34Å; S248-V435 VanDerWaalsContact OG-O 3.11Å
249	M	81.9	Confident	87.1	Confident	16 Å²	16	51 Å²	51	8%	0.079	25%	0.254	C	S	.	.	S	Bend	trans	60.8	37.1	-178.5	-47.2	-70.3	-176.8	0	0	113.2	Y251 L252 M434	M249-Y251 HydrophobicContact CB-CE1 4Å; M249-Y251 HydrophobicContact CG-CE1 4.46Å; M249-Y251 PolarHBondContact O-N 3.11Å; M249-Y251 VanDerWaalsContact O-N 3.11Å; M249-Y251 HydrophobicContact SD-CE1 3.61Å; M249-Y251 PolarHBondContact SD-OH 3.35Å; M249-L252 VanDerWaalsContact O-CB 3.22Å; M249-L252 WeakPolarHBondContact O-CB 3.5Å; M249-L252 PolarHBondContact O-N 3.29Å; M249-M434 HydrophobicContact CE-CB 4.36Å; M249-M434 HydrophobicContact CE-SD 3.79Å
250	S	78.3	Confident	86.9	Confident	31 Å²	31	50.1 Å²	50.1	22%	0.217	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-48.6	-36.9	178.2	59.4	0	0	0	0	113.6	S248 L252 A253 E507	S248-S250 VanDerWaalsContact C-N 3.3Å; S248-S250 PolarHBondContact O-N 2.89Å; S250-L252 PolarHBondContact O-N 2.97Å; S250-L252 VanDerWaalsContact O-N 3.08Å; S250-A253 PolarHBondContact O-N 3.42Å; S250-E507 WeakPolarHBondContact CB-OE1 3.38Å; S250-E507 PolarHBondContact OG-OE1 3.49Å
251	Y	80.3	Confident	86.9	Confident	116 Å²	116	50.5 Å²	50.5	46%	0.455	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-57.5	-24.5	178.7	70	-93.1	0	0	0	113.6	M249 A253 H254	M249-Y251 HydrophobicContact CB-CE1 4Å; M249-Y251 HydrophobicContact CG-CE1 4.46Å; M249-Y251 PolarHBondContact O-N 3.11Å; M249-Y251 VanDerWaalsContact O-N 3.11Å; M249-Y251 HydrophobicContact SD-CE1 3.61Å; M249-Y251 PolarHBondContact SD-OH 3.35Å; Y251-A253 PolarHBondContact O-N 2.88Å; Y251-A253 VanDerWaalsContact O-N 3.17Å; Y251-H254 WeakPolarHBondContact O-CB 3.36Å; Y251-H254 PolarHBondContact O-N 3.4Å; Y251-H254 PolarHBondContact O-ND1 3.08Å
252	L	84.1	Confident	86.8	Confident	15 Å²	15	52.2 Å²	52.2	8%	0.079	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-61.6	-29.7	-174.2	-161.3	65.6	0	0	0	112.7	M249 S250 H254 H255 F258 V275 L313 F314	M249-L252 VanDerWaalsContact O-CB 3.22Å; M249-L252 WeakPolarHBondContact O-CB 3.5Å; M249-L252 PolarHBondContact O-N 3.29Å; S250-L252 PolarHBondContact O-N 2.97Å; S250-L252 VanDerWaalsContact O-N 3.08Å; L252-H254 PolarHBondContact O-N 2.98Å; L252-H255 VanDerWaalsContact O-CB 3.27Å; L252-H255 WeakPolarHBondContact O-CB 3.22Å; L252-H255 PolarHBondContact O-N 3.4Å; L252-H255 VanDerWaalsContact O-N 3.1Å; L252-F258 HydrophobicContact CG-CE2 4.07Å; L252-F258 WeakPolarHBondContact O-CD2 3.49Å; L252-F258 WeakPolarHBondContact O-CE2 3.5Å; L252-V275 HydrophobicContact CB-CG1 4.42Å; L252-V275 HydrophobicContact CD2-CG1 3.82Å; L252-L313 HydrophobicContact CD1-CB 4.29Å; L252-L313 HydrophobicContact CD1-CD1 4.28Å; L252-L313 HydrophobicContact CD1-CD2 3.82Å; L252-L313 HydrophobicContact CD1-CG 4.36Å; L252-L313 HydrophobicContact CD2-CD1 4.22Å; L252-L313 HydrophobicContact CG-CD1 4.41Å; L252-L313 HydrophobicContact CG-CD2 4.38Å; L252-F314 HydrophobicContact CD1-CE1 3.94Å; L252-F314 HydrophobicContact CD1-CZ 4.02Å; L252-F314 HydrophobicContact CD2-CE1 4.33Å; L252-F314 HydrophobicContact CD2-CE2 4.46Å; L252-F314 HydrophobicContact CD2-CZ 3.67Å
253	A	85.1	Confident	86.7	Confident	2 Å²	2	59.7 Å²	59.7	2%	0.017	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-62.9	-21.3	177	0	0	0	0	0	113.5	S250 Y251 H255 R262 V270	S250-A253 PolarHBondContact O-N 3.42Å; Y251-A253 PolarHBondContact O-N 2.88Å; Y251-A253 VanDerWaalsContact O-N 3.17Å; A253-H255 VanDerWaalsContact C-N 3.29Å; A253-R262 WeakPolarHBondContact O-CD 3.4Å; A253-V270 HydrophobicContact CB-CG1 4.28Å
254	H	84.4	Confident	86.8	Confident	113 Å²	113	65.7 Å²	65.7	52%	0.523	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-80	-10.7	177.6	-62.9	86.1	0	0	0	113.2	Y251 L252	Y251-H254 WeakPolarHBondContact O-CB 3.36Å; Y251-H254 PolarHBondContact O-N 3.4Å; Y251-H254 PolarHBondContact O-ND1 3.08Å; L252-H254 PolarHBondContact O-N 2.98Å
255	H	86.2	Confident	86.7	Confident	53 Å²	53	65 Å²	65	25%	0.245	31%	0.31	C	S	.	.	S	Bend	trans	-69.8	142.3	-178.7	-169.8	-88	0	0	0	111.7	L252 A253 L257 F258 L313	L252-H255 VanDerWaalsContact O-CB 3.27Å; L252-H255 WeakPolarHBondContact O-CB 3.22Å; L252-H255 PolarHBondContact O-N 3.4Å; L252-H255 VanDerWaalsContact O-N 3.1Å; A253-H255 VanDerWaalsContact C-N 3.29Å; H255-L257 PolarHBondContact ND1-N 3.46Å; H255-L257 PolarHBondContact O-N 3.48Å; H255-F258 HydrophobicContact CB-CD2 4.23Å; H255-F258 PolarHBondContact O-N 2.79Å; H255-L313 HydrophobicContact CB-CD2 3.9Å; H255-L313 VanDerWaalsContact CG-CD2 3.47Å; H255-L313 VanDerWaalsContact ND1-CD2 3.3Å; H255-L313 WeakPolarHBondContact ND1-CD2 3.36Å
256	W	84.7	Confident	86.7	Confident	156 Å²	156	63.5 Å²	63.5	59%	0.591	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-55	-24.5	-173.6	68.7	-93.2	0	0	0	115	F258 D259	W256-F258 PolarHBondContact O-N 2.99Å; W256-D259 VanDerWaalsContact CA-OD1 3.23Å; W256-D259 WeakPolarHBondContact CA-OD1 3.29Å; W256-D259 WeakPolarHBondContact O-CB 3.44Å; W256-D259 PolarHBondContact O-N 2.87Å
257	L	86.3	Confident	86.5	Confident	31 Å²	31	65.9 Å²	65.9	16%	0.162	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-61.4	-25.3	176.7	-79.7	167.2	0	0	0	112.9	H255 M309 Q312 L313	H255-L257 PolarHBondContact ND1-N 3.46Å; H255-L257 PolarHBondContact O-N 3.48Å; L257-M309 HydrophobicContact CD1-CG 3.92Å; L257-Q312 HydrophobicContact CD1-CB 3.9Å; L257-L313 HydrophobicContact CB-CD2 4.48Å; L257-L313 HydrophobicContact CD1-CD1 4.48Å; L257-L313 HydrophobicContact CD1-CD2 3.59Å; L257-L313 HydrophobicContact CD1-CG 3.66Å
258	F	88.3	Confident	86.5	Confident	6 Å²	6	71.3 Å²	71.3	3%	0.026	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-96.3	-1.5	-179.4	-59	-75.3	0	0	0	113.3	L252 H255 W256 P260 F261 R262 V270 V274 V275 M309 L313	L252-F258 HydrophobicContact CG-CE2 4.07Å; L252-F258 WeakPolarHBondContact O-CD2 3.49Å; L252-F258 WeakPolarHBondContact O-CE2 3.5Å; H255-F258 HydrophobicContact CB-CD2 4.23Å; H255-F258 PolarHBondContact O-N 2.79Å; W256-F258 PolarHBondContact O-N 2.99Å; F258-P260 VanDerWaalsContact C-N 3.31Å; F258-F261 HydrophobicContact CD1-CD2 4.21Å; F258-F261 WeakPolarHBondContact O-CA 3.5Å; F258-F261 WeakPolarHBondContact O-CB 3.33Å; F258-F261 PolarHBondContact O-N 2.9Å; F258-R262 WeakPolarHBondContact O-CG 3.25Å; F258-R262 PolarHBondContact O-N 3.42Å; F258-V270 HydrophobicContact CB-CG1 3.98Å; F258-V270 HydrophobicContact CD1-CG1 4.48Å; F258-V270 HydrophobicContact CG-CG1 4.42Å; F258-V274 HydrophobicContact CD1-CG1 4.16Å; F258-V274 HydrophobicContact CE1-CG1 4.2Å; F258-V275 HydrophobicContact CD1-CG2 4.31Å; F258-V275 HydrophobicContact CE1-CG2 3.86Å; F258-V275 HydrophobicContact CE2-CG2 4.19Å; F258-V275 HydrophobicContact CZ-CG2 3.79Å; F258-M309 HydrophobicContact CE1-SD 4.11Å; F258-M309 HydrophobicContact CZ-CE 4.36Å; F258-M309 HydrophobicContact CZ-SD 3.99Å; F258-L313 HydrophobicContact CE2-CD1 4.12Å; F258-L313 HydrophobicContact CE2-CD2 3.95Å; F258-L313 HydrophobicContact CZ-CD1 4.04Å
259	D	87.1	Confident	86.6	Confident	56 Å²	56	75 Å²	75	30%	0.299	37%	0.365	S	S	.	.	H	α-helix	trans	-50.6	-41	179.5	-64.6	3.7	0	0	0	114	W256 F261 R262 M263	W256-D259 VanDerWaalsContact CA-OD1 3.23Å; W256-D259 WeakPolarHBondContact CA-OD1 3.29Å; W256-D259 WeakPolarHBondContact O-CB 3.44Å; W256-D259 PolarHBondContact O-N 2.87Å; D259-F261 PolarHBondContact O-N 3.44Å; D259-R262 PolarHBondContact O-N 3.48Å; D259-R262 VanDerWaalsContact O-N 3.1Å; D259-R262 IonicContact OD1-CZ 3.35Å; D259-R262 IonicContact OD1-NE 2.86Å; D259-R262 PolarHBondContact OD1-NE 2.9Å; D259-R262 IonicContact OD1-NH2 3.28Å; D259-R262 PolarHBondContact OD1-NH2 3.42Å; D259-R262 IonicContact OD2-NH2 2.79Å; D259-M263 WeakPolarHBondContact O-CG 3.44Å; D259-M263 PolarHBondContact O-N 3.25Å; D259-M263 VanDerWaalsContact O-N 3.13Å
260	P	89.8	Confident	87	Confident	81 Å²	81	74.3 Å²	74.3	53%	0.526	36%	0.361	S	S	.	.	H	α-helix	trans	-59.2	-34.1	175.7	-24.8	35.9	0	0	0	113.2	F258	F258-P260 VanDerWaalsContact C-N 3.31Å
261	F	89.1	Confident	87.6	Confident	79 Å²	79	73.3 Å²	73.3	35%	0.346	36%	0.355	S	S	.	.	H	α-helix	trans	-77.7	-34.7	175.9	-58.6	-76.4	0	0	0	111.6	F258 D259 M263 I264 L265 V270 V274	F258-F261 HydrophobicContact CD1-CD2 4.21Å; F258-F261 WeakPolarHBondContact O-CA 3.5Å; F258-F261 WeakPolarHBondContact O-CB 3.33Å; F258-F261 PolarHBondContact O-N 2.9Å; D259-F261 PolarHBondContact O-N 3.44Å; F261-M263 PolarHBondContact O-N 2.87Å; F261-I264 PolarHBondContact O-N 3.01Å; F261-L265 PolarHBondContact O-N 3.19Å; F261-V270 HydrophobicContact CB-CG1 4.24Å; F261-V270 HydrophobicContact CB-CG2 4Å; F261-V274 HydrophobicContact CD1-CG2 4.14Å; F261-V274 HydrophobicContact CD2-CG1 4.19Å; F261-V274 HydrophobicContact CE2-CG1 4.13Å; F261-V274 HydrophobicContact CG-CG1 4.42Å; F261-V274 HydrophobicContact CG-CG2 4.24Å; F261-V274 HydrophobicContact CZ-CG1 4.31Å
262	R	87.8	Confident	88.2	Confident	88 Å²	88	70.6 Å²	70.6	33%	0.332	35%	0.348	S	S	.	.	H	α-helix	trans	-66.5	-18.6	176.9	-61	-164.9	-68.4	150.9	-7.1	113.9	A253 F258 D259 I264 L265 N267 V270	A253-R262 WeakPolarHBondContact O-CD 3.4Å; F258-R262 WeakPolarHBondContact O-CG 3.25Å; F258-R262 PolarHBondContact O-N 3.42Å; D259-R262 PolarHBondContact O-N 3.48Å; D259-R262 VanDerWaalsContact O-N 3.1Å; D259-R262 IonicContact OD1-CZ 3.35Å; D259-R262 IonicContact OD1-NE 2.86Å; D259-R262 PolarHBondContact OD1-NE 2.9Å; D259-R262 IonicContact OD1-NH2 3.28Å; D259-R262 PolarHBondContact OD1-NH2 3.42Å; D259-R262 IonicContact OD2-NH2 2.79Å; R262-I264 PolarHBondContact O-N 3.46Å; R262-L265 WeakPolarHBondContact CA-O 3.41Å; R262-N267 WeakPolarHBondContact CD-OD1 3.49Å; R262-V270 HydrophobicContact CG-CG2 4.22Å
263	M	88.6	Confident	88.6	Confident	164 Å²	164	74.7 Å²	74.7	81%	0.808	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-20.4	170.8	-67.7	-178.6	-177.3	0	0	112.9	D259 F261	D259-M263 WeakPolarHBondContact O-CG 3.44Å; D259-M263 PolarHBondContact O-N 3.25Å; D259-M263 VanDerWaalsContact O-N 3.13Å; F261-M263 PolarHBondContact O-N 2.87Å
264	I	92.8	Very high	88.9	Confident	143 Å²	143	76.4 Å²	76.4	73%	0.733	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.5	-35.4	-171.8	-53.7	173.3	0	0	0	111.4	F261 R262	F261-I264 PolarHBondContact O-N 3.01Å; R262-I264 PolarHBondContact O-N 3.46Å
265	L	91.3	Very high	89.2	Confident	59 Å²	59	71.8 Å²	71.8	31%	0.309	36%	0.359	S	S	.	.	S	Bend	trans	-119.8	146.1	-175.1	-64.8	174.3	0	0	0	110.9	F261 R262 M269 V270	F261-L265 PolarHBondContact O-N 3.19Å; R262-L265 WeakPolarHBondContact CA-O 3.41Å; L265-M269 HydrophobicContact CB-CB 4.39Å; L265-V270 HydrophobicContact CB-CG2 3.66Å; L265-V270 HydrophobicContact CD1-CG2 4.49Å
266	P	89.9	Confident	89.5	Confident	81 Å²	81	69.3 Å²	69.3	53%	0.526	35%	0.348	S	S	.	.			trans	-65.5	155.1	170.4	29.5	-34.4	0	0	0	110.9	E268 M269 V270	P266-E268 VanDerWaalsContact C-N 3.27Å; P266-E268 PolarHBondContact O-N 3.22Å; P266-M269 HydrophobicContact CG-CB 3.91Å; P266-M269 HydrophobicContact CG-CG 3.57Å; P266-M269 PolarHBondContact O-N 3.46Å; P266-V270 PolarHBondContact O-N 3.47Å
267	N	85.8	Confident	90	Very high	59 Å²	59	63.2 Å²	63.2	32%	0.316	33%	0.333	S	S	.	.	H	α-helix	trans	-53.5	-41.8	-174.7	-73.5	-24	0	0	0	113.3	R262 M269 V270 S271	R262-N267 WeakPolarHBondContact CD-OD1 3.49Å; N267-M269 VanDerWaalsContact C-N 3.34Å; N267-M269 PolarHBondContact O-N 3.31Å; N267-V270 PolarHBondContact O-N 2.86Å; N267-S271 PolarHBondContact O-N 3.01Å
268	E	86.6	Confident	90.3	Very high	148 Å²	148	63.3 Å²	63.3	69%	0.692	34%	0.341	S	S	*	.	H	α-helix	trans	-60.2	-43.2	178.4	-66.5	170.1	-164.3	0	0	111.9	P266 S271 L272	P266-E268 VanDerWaalsContact C-N 3.27Å; P266-E268 PolarHBondContact O-N 3.22Å; E268-S271 WeakPolarHBondContact O-CB 3.25Å; E268-S271 PolarHBondContact O-N 3.01Å; E268-L272 WeakPolarHBondContact O-CB 3.32Å; E268-L272 PolarHBondContact O-N 3.43Å
269	M	89.8	Confident	90.5	Very high	79 Å²	79	63.4 Å²	63.4	39%	0.389	34%	0.344	S	S	.	.	H	α-helix	trans	-72.3	-33.5	178.4	-64.7	-65.5	134.3	0	0	111.9	L265 P266 N267 L273	L265-M269 HydrophobicContact CB-CB 4.39Å; P266-M269 HydrophobicContact CG-CB 3.91Å; P266-M269 HydrophobicContact CG-CG 3.57Å; P266-M269 PolarHBondContact O-N 3.46Å; N267-M269 VanDerWaalsContact C-N 3.34Å; N267-M269 PolarHBondContact O-N 3.31Å; M269-L273 VanDerWaalsContact O-CB 3.29Å; M269-L273 WeakPolarHBondContact O-CB 3.08Å; M269-L273 PolarHBondContact O-N 2.85Å
270	V	91	Very high	90.8	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	34%	0.336	C	S	.	.	I	π-helix	trans	-63.1	-45.5	171.6	175.7	0	0	0	0	110.2	A253 F258 F261 R262 L265 P266 N267 V274 V275	A253-V270 HydrophobicContact CB-CG1 4.28Å; F258-V270 HydrophobicContact CB-CG1 3.98Å; F258-V270 HydrophobicContact CD1-CG1 4.48Å; F258-V270 HydrophobicContact CG-CG1 4.42Å; F261-V270 HydrophobicContact CB-CG1 4.24Å; F261-V270 HydrophobicContact CB-CG2 4Å; R262-V270 HydrophobicContact CG-CG2 4.22Å; L265-V270 HydrophobicContact CB-CG2 3.66Å; L265-V270 HydrophobicContact CD1-CG2 4.49Å; P266-V270 PolarHBondContact O-N 3.47Å; N267-V270 PolarHBondContact O-N 2.86Å; V270-V274 HydrophobicContact CG1-CB 4.36Å; V270-V274 HydrophobicContact CG1-CG2 4.47Å; V270-V274 WeakPolarHBondContact O-CA 3.42Å; V270-V274 VanDerWaalsContact O-CB 3.28Å; V270-V274 WeakPolarHBondContact O-CB 3.21Å; V270-V274 PolarHBondContact O-N 3.38Å; V270-V275 PolarHBondContact O-N 2.98Å; V270-V275 VanDerWaalsContact O-N 3.13Å
271	S	90.6	Very high	91.1	Very high	11 Å²	11	62 Å²	62	8%	0.077	34%	0.338	C	S	.	.	I	π-helix	trans	-57.6	-54.9	174.6	-174.1	0	0	0	0	110.8	N267 E268 V275 H276	N267-S271 PolarHBondContact O-N 3.01Å; E268-S271 WeakPolarHBondContact O-CB 3.25Å; E268-S271 PolarHBondContact O-N 3.01Å; S271-V275 WeakPolarHBondContact O-CB 3.47Å; S271-V275 PolarHBondContact O-N 3.31Å; S271-H276 PolarHBondContact O-N 2.91Å; S271-H276 PolarHBondContact O-ND1 3.39Å; S271-H276 PolarHBondContact OG-CE1 3.48Å; S271-H276 PolarHBondContact OG-ND1 3.31Å
272	L	92.1	Very high	91.4	Very high	58 Å²	58	59.3 Å²	59.3	30%	0.304	33%	0.327	S	S	.	.	I	π-helix	trans	-68	-49.5	-173.8	-174	63.8	0	0	0	113.1	V244 E268 H276 G277	V244-L272 VanDerWaalsContact O-CD1 3.25Å; V244-L272 WeakPolarHBondContact O-CD1 3.43Å; E268-L272 WeakPolarHBondContact O-CB 3.32Å; E268-L272 PolarHBondContact O-N 3.43Å; L272-H276 WeakPolarHBondContact O-CB 3.4Å; L272-G277 PolarHBondContact O-N 2.96Å
273	L	92.8	Very high	91.7	Very high	102 Å²	102	55.2 Å²	55.2	53%	0.534	31%	0.312	S	S	.	.	I	π-helix	trans	-85.3	-46.6	-172	-61	177.4	0	0	0	112.7	M269 G277 G278	M269-L273 VanDerWaalsContact O-CB 3.29Å; M269-L273 WeakPolarHBondContact O-CB 3.08Å; M269-L273 PolarHBondContact O-N 2.85Å; L273-G277 CarbonylContact O-C 3.54Å; L273-G277 WeakPolarHBondContact O-CA 3.25Å; L273-G278 PolarHBondContact O-N 3.33Å
274	V	91.4	Very high	92.1	Very high	38 Å²	38	49.7 Å²	49.7	23%	0.23	29%	0.285	C	S	.	.	I	π-helix	trans	-84	-51.9	-172.3	-175.8	0	0	0	0	110.5	F258 F261 V270 G278	F258-V274 HydrophobicContact CD1-CG1 4.16Å; F258-V274 HydrophobicContact CE1-CG1 4.2Å; F261-V274 HydrophobicContact CD1-CG2 4.14Å; F261-V274 HydrophobicContact CD2-CG1 4.19Å; F261-V274 HydrophobicContact CE2-CG1 4.13Å; F261-V274 HydrophobicContact CG-CG1 4.42Å; F261-V274 HydrophobicContact CG-CG2 4.24Å; F261-V274 HydrophobicContact CZ-CG1 4.31Å; V270-V274 HydrophobicContact CG1-CB 4.36Å; V270-V274 HydrophobicContact CG1-CG2 4.47Å; V270-V274 WeakPolarHBondContact O-CA 3.42Å; V270-V274 VanDerWaalsContact O-CB 3.28Å; V270-V274 WeakPolarHBondContact O-CB 3.21Å; V270-V274 PolarHBondContact O-N 3.38Å; V274-G278 VanDerWaalsContact O-CA 3.3Å; V274-G278 WeakPolarHBondContact O-CA 3.32Å; V274-G278 PolarHBondContact O-N 3.23Å
275	V	91.2	Very high	92.2	Very high	15 Å²	15	44.8 Å²	44.8	9%	0.091	26%	0.264	C	S	.	.	I	π-helix	trans	-73.5	-59.5	-177.3	176.6	0	0	0	0	110.7	L252 F258 V270 S271 G279	L252-V275 HydrophobicContact CB-CG1 4.42Å; L252-V275 HydrophobicContact CD2-CG1 3.82Å; F258-V275 HydrophobicContact CD1-CG2 4.31Å; F258-V275 HydrophobicContact CE1-CG2 3.86Å; F258-V275 HydrophobicContact CE2-CG2 4.19Å; F258-V275 HydrophobicContact CZ-CG2 3.79Å; V270-V275 PolarHBondContact O-N 2.98Å; V270-V275 VanDerWaalsContact O-N 3.13Å; S271-V275 WeakPolarHBondContact O-CB 3.47Å; S271-V275 PolarHBondContact O-N 3.31Å; V275-G279 WeakPolarHBondContact O-CA 3.46Å; V275-G279 PolarHBondContact O-N 3.39Å
276	H	92.8	Very high	92.5	Very high	2 Å²	2	42 Å²	42	1%	0.009	25%	0.249	C	C	.	.	I	π-helix	trans	-77.7	-53	-173.7	-66.5	85.7	0	0	0	112.2	W243 G246 S248 S271 L272 G279 L280	W243-H276 AromaticContact CD2-CD2 3.87Å; W243-H276 AromaticContact CE2-CD2 3.98Å; W243-H276 PolarHBondContact NE1-O 3.11Å; W243-H276 WeakPolarHBondContact O-CB 3.11Å; W243-H276 PolarHBondContact O-CD2 3.17Å; G246-H276 VanDerWaalsContact CA-CE1 3.48Å; G246-H276 WeakPolarHBondContact CA-CE1 3.33Å; G246-H276 WeakPolarHBondContact CA-NE2 3.34Å; G246-H276 PolarHBondContact O-CE1 3.49Å; G246-H276 VanDerWaalsContact O-CE1 3.27Å; S248-H276 PolarHBondContact N-NE2 2.91Å; S248-H276 PolarHBondContact O-CE1 2.84Å; S248-H276 VanDerWaalsContact O-CE1 3.29Å; S248-H276 PolarHBondContact O-NE2 3.43Å; S271-H276 PolarHBondContact O-N 2.91Å; S271-H276 PolarHBondContact O-ND1 3.39Å; S271-H276 PolarHBondContact OG-CE1 3.48Å; S271-H276 PolarHBondContact OG-ND1 3.31Å; L272-H276 WeakPolarHBondContact O-CB 3.4Å; H276-G279 PolarHBondContact O-N 3.46Å; H276-L280 VanDerWaalsContact O-CB 3.24Å; H276-L280 WeakPolarHBondContact O-CB 3.24Å; H276-L280 PolarHBondContact O-N 3Å
277	G	94.3	Very high	92.6	Very high	27 Å²	27	38.2 Å²	38.2	28%	0.278	22%	0.224	S	C	.	.	I	π-helix	trans	-62.4	-47	178.1	0	0	0	0	0	112.7	L272 L273 C281	L272-G277 PolarHBondContact O-N 2.96Å; L273-G277 CarbonylContact O-C 3.54Å; L273-G277 WeakPolarHBondContact O-CA 3.25Å; G277-C281 VanDerWaalsContact O-CB 3.32Å; G277-C281 WeakPolarHBondContact O-CB 3.4Å; G277-C281 PolarHBondContact O-N 3.46Å; G277-C281 PolarHBondContact O-SG 3.42Å
278	G	93	Very high	93.1	Very high	33 Å²	33	40.3 Å²	40.3	34%	0.34	23%	0.229	S	C	.	.	H	α-helix	trans	-63.7	-45.5	176.2	0	0	0	0	0	112.9	L273 V274 L282	L273-G278 PolarHBondContact O-N 3.33Å; V274-G278 VanDerWaalsContact O-CA 3.3Å; V274-G278 WeakPolarHBondContact O-CA 3.32Å; V274-G278 PolarHBondContact O-N 3.23Å; G278-L282 VanDerWaalsContact O-CB 3.28Å; G278-L282 WeakPolarHBondContact O-CB 3.37Å; G278-L282 PolarHBondContact O-N 3.16Å
279	G	92.3	Very high	93.5	Very high	9 Å²	9	35.2 Å²	35.2	9%	0.093	21%	0.206	C	C	.	.	H	α-helix	trans	-61.5	-44.1	176.5	0	0	0	0	0	113.1	V275 H276 D283	V275-G279 WeakPolarHBondContact O-CA 3.46Å; V275-G279 PolarHBondContact O-N 3.39Å; H276-G279 PolarHBondContact O-N 3.46Å; G279-D283 WeakPolarHBondContact O-CB 3.19Å; G279-D283 PolarHBondContact O-N 3.2Å
280	L	94.8	Very high	93.7	Very high	23 Å²	23	31.5 Å²	31.5	12%	0.12	19%	0.188	C	C	.	.	H	α-helix	trans	-62.9	-51.9	176.1	172.2	61.6	0	0	0	111.8	G235 K238 L239 V244 H276 L282 D283 L284	G235-L280 VanDerWaalsContact O-CD1 3.3Å; G235-L280 WeakPolarHBondContact O-CD1 3.35Å; K238-L280 HydrophobicContact CB-CB 4.42Å; K238-L280 HydrophobicContact CB-CD1 3.62Å; L239-L280 HydrophobicContact CD2-CD1 3.92Å; L239-L280 HydrophobicContact CD2-CD2 4.15Å; L239-L280 HydrophobicContact CG-CD1 4.17Å; V244-L280 HydrophobicContact CG2-CD2 4.23Å; H276-L280 VanDerWaalsContact O-CB 3.24Å; H276-L280 WeakPolarHBondContact O-CB 3.24Å; H276-L280 PolarHBondContact O-N 3Å; L280-L282 VanDerWaalsContact C-N 3.31Å; L280-L282 PolarHBondContact O-N 2.91Å; L280-D283 PolarHBondContact O-N 2.69Å; L280-L284 HydrophobicContact CD1-CD1 3.67Å; L280-L284 HydrophobicContact CD1-CG 4.1Å; L280-L284 HydrophobicContact CG-CD1 4.2Å; L280-L284 PolarHBondContact O-N 2.84Å
281	C	95.8	Very high	93.7	Very high	83 Å²	83	35.3 Å²	35.3	56%	0.561	20%	0.204	S	C	*	.	H	α-helix	trans	-59.7	-43.4	-179.4	-74.2	0	0	0	0	111.3	G277 S285	G277-C281 VanDerWaalsContact O-CB 3.32Å; G277-C281 WeakPolarHBondContact O-CB 3.4Å; G277-C281 PolarHBondContact O-N 3.46Å; G277-C281 PolarHBondContact O-SG 3.42Å; C281-S285 VanDerWaalsContact O-CB 3.26Å; C281-S285 WeakPolarHBondContact O-CB 3.38Å; C281-S285 PolarHBondContact O-N 3.35Å; C281-S285 VanDerWaalsContact O-N 3.12Å; C281-S285 PolarHBondContact O-OG 2.96Å
282	L	95	Very high	93.7	Very high	24 Å²	24	37.3 Å²	37.3	13%	0.126	21%	0.212	C	C	.	.	H	α-helix	trans	-66.3	-48.4	179.4	-175.7	63	0	0	0	111.3	G278 L280 L284 S285 A286 F302 F306	G278-L282 VanDerWaalsContact O-CB 3.28Å; G278-L282 WeakPolarHBondContact O-CB 3.37Å; G278-L282 PolarHBondContact O-N 3.16Å; L280-L282 VanDerWaalsContact C-N 3.31Å; L280-L282 PolarHBondContact O-N 2.91Å; L282-L284 VanDerWaalsContact C-N 3.35Å; L282-L284 PolarHBondContact O-N 3.18Å; L282-S285 PolarHBondContact O-N 3.35Å; L282-S285 PolarHBondContact O-OG 3.47Å; L282-A286 HydrophobicContact CD1-CB 4.34Å; L282-A286 WeakPolarHBondContact O-CA 3.39Å; L282-A286 WeakPolarHBondContact O-CB 3.27Å; L282-A286 PolarHBondContact O-N 3.18Å; L282-F302 HydrophobicContact CD1-CB 3.83Å; L282-F306 HydrophobicContact CD2-CB 3.41Å; L282-F306 VanDerWaalsContact CD2-CB 3.41Å; L282-F306 HydrophobicContact CD2-CD1 4.12Å; L282-F306 HydrophobicContact CD2-CD2 3.75Å; L282-F306 HydrophobicContact CD2-CG 3.51Å
283	D	95.1	Very high	93.5	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.011	21%	0.213	C	C	.	.	H	α-helix	trans	-63.3	-39.6	-178	-80.1	-11.4	0	0	0	112.3	Y231 K238 G279 L280 S285	Y231-D283 CarbonylContact C-O 3.39Å; Y231-D283 VanDerWaalsContact C-O 3.27Å; Y231-D283 VanDerWaalsContact O-O 3.05Å; K238-D283 VanDerWaalsContact CE-OD2 3.27Å; K238-D283 WeakPolarHBondContact CE-OD2 3.47Å; K238-D283 IonicContact NZ-OD2 3.23Å; K238-D283 PolarHBondContact NZ-OD2 3.3Å; G279-D283 WeakPolarHBondContact O-CB 3.19Å; G279-D283 PolarHBondContact O-N 3.2Å; L280-D283 PolarHBondContact O-N 2.69Å; D283-S285 VanDerWaalsContact C-N 3.35Å; D283-S285 PolarHBondContact O-N 3.49Å
284	L	95.5	Very high	93.4	Very high	47 Å²	47	36.6 Å²	36.6	25%	0.246	22%	0.221	C	C	.	.	H	α-helix	trans	-67.5	-32.6	176	-76.8	176	0	0	0	113.4	G235 I236 L239 L280 L282 Y288	G235-L284 VanDerWaalsContact C-CD2 3.43Å; I236-L284 HydrophobicContact CG1-CD2 4.13Å; L239-L284 HydrophobicContact CD2-CD1 4.25Å; L280-L284 HydrophobicContact CD1-CD1 3.67Å; L280-L284 HydrophobicContact CD1-CG 4.1Å; L280-L284 HydrophobicContact CG-CD1 4.2Å; L280-L284 PolarHBondContact O-N 2.84Å; L282-L284 VanDerWaalsContact C-N 3.35Å; L282-L284 PolarHBondContact O-N 3.18Å; L284-Y288 WeakPolarHBondContact O-CD2 3.31Å
285	S	96.2	Very high	93.5	Very high	41 Å²	41	36.8 Å²	36.8	29%	0.287	22%	0.222	S	C	.	.	H	α-helix	trans	-99.8	-25.4	-173.2	65.6	0	0	0	0	114.4	C281 L282 D283 G287 Y288 L289	C281-S285 VanDerWaalsContact O-CB 3.26Å; C281-S285 WeakPolarHBondContact O-CB 3.38Å; C281-S285 PolarHBondContact O-N 3.35Å; C281-S285 VanDerWaalsContact O-N 3.12Å; C281-S285 PolarHBondContact O-OG 2.96Å; L282-S285 PolarHBondContact O-N 3.35Å; L282-S285 PolarHBondContact O-OG 3.47Å; D283-S285 VanDerWaalsContact C-N 3.35Å; D283-S285 PolarHBondContact O-N 3.49Å; S285-G287 VanDerWaalsContact C-N 3.33Å; S285-G287 PolarHBondContact O-N 3.32Å; S285-Y288 PolarHBondContact O-N 3.05Å; S285-L289 WeakPolarHBondContact O-CG 3.29Å; S285-L289 PolarHBondContact O-N 2.92Å
286	A	95.7	Very high	93.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-55	-45.4	-170.8	0	0	0	0	0	112.8	Y231 L282 Y288 L289 L290 V303	Y231-A286 HydrophobicContact CD1-CB 3.99Å; Y231-A286 HydrophobicContact CD2-CB 4.31Å; Y231-A286 HydrophobicContact CE1-CB 4.41Å; Y231-A286 HydrophobicContact CG-CB 3.95Å; L282-A286 HydrophobicContact CD1-CB 4.34Å; L282-A286 WeakPolarHBondContact O-CA 3.39Å; L282-A286 WeakPolarHBondContact O-CB 3.27Å; L282-A286 PolarHBondContact O-N 3.18Å; A286-Y288 VanDerWaalsContact C-N 3.35Å; A286-Y288 PolarHBondContact O-N 3.21Å; A286-L289 PolarHBondContact O-N 3.15Å; A286-L290 WeakPolarHBondContact O-CB 3.43Å; A286-L290 VanDerWaalsContact O-CG 3.3Å; A286-L290 WeakPolarHBondContact O-CG 3.35Å; A286-L290 PolarHBondContact O-N 2.94Å; A286-V303 HydrophobicContact CB-CG2 3.73Å
287	G	93.9	Very high	93.7	Very high	1 Å²	1	41 Å²	41	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-57.7	-45.5	176.7	0	0	0	0	0	112.6	F228 S285 F291	F228-G287 VanDerWaalsContact CD2-C 3.43Å; F228-G287 VanDerWaalsContact CE2-C 3.49Å; S285-G287 VanDerWaalsContact C-N 3.33Å; S285-G287 PolarHBondContact O-N 3.32Å; G287-F291 WeakPolarHBondContact O-CB 3.13Å; G287-F291 PolarHBondContact O-N 2.79Å
288	Y	94.4	Very high	93.7	Very high	103 Å²	103	46.1 Å²	46.1	40%	0.404	26%	0.262	S	S	.	.	H	α-helix	trans	-69.5	-44.1	178.3	-62.9	-78.2	0	0	0	111.8	F228 F232 L284 S285 A286 L290 F291 F292	F228-Y288 HydrophobicContact CE2-CD1 4.06Å; F228-Y288 HydrophobicContact CE2-CD2 4.28Å; F228-Y288 HydrophobicContact CE2-CE1 4.08Å; F228-Y288 HydrophobicContact CE2-CE2 4.29Å; F228-Y288 HydrophobicContact CE2-CG 4.17Å; F228-Y288 HydrophobicContact CZ-CD1 4.3Å; F228-Y288 HydrophobicContact CZ-CD2 4.41Å; F228-Y288 AromaticContact CZ-CE1 3.85Å; F228-Y288 HydrophobicContact CZ-CE1 3.85Å; F228-Y288 AromaticContact CZ-CE2 3.96Å; F228-Y288 HydrophobicContact CZ-CE2 3.96Å; F228-Y288 AromaticContact CZ-CZ 3.66Å; F232-Y288 AromaticContact CD2-CE2 3.84Å; F232-Y288 HydrophobicContact CD2-CE2 3.84Å; F232-Y288 AromaticContact CE2-CE2 3.87Å; F232-Y288 HydrophobicContact CE2-CE2 3.87Å; F232-Y288 WeakPolarHBondContact CE2-OH 3.45Å; L284-Y288 WeakPolarHBondContact O-CD2 3.31Å; S285-Y288 PolarHBondContact O-N 3.05Å; A286-Y288 VanDerWaalsContact C-N 3.35Å; A286-Y288 PolarHBondContact O-N 3.21Å; Y288-L290 VanDerWaalsContact C-N 3.28Å; Y288-L290 PolarHBondContact O-N 2.55Å; Y288-F291 PolarHBondContact O-N 3.24Å; Y288-F291 VanDerWaalsContact O-N 3.1Å; Y288-F292 HydrophobicContact CD1-CE2 4.28Å; Y288-F292 WeakPolarHBondContact O-CD2 3.44Å; Y288-F292 PolarHBondContact O-N 2.98Å
289	L	95.5	Very high	93.9	Very high	42 Å²	42	44.6 Å²	44.6	22%	0.22	25%	0.246	C	C	.	.	H	α-helix	trans	-58.1	-42	179.2	-70.1	175.2	0	0	0	111.3	S285 A286 T295 R296	S285-L289 WeakPolarHBondContact O-CG 3.29Å; S285-L289 PolarHBondContact O-N 2.92Å; A286-L289 PolarHBondContact O-N 3.15Å; L289-T295 WeakPolarHBondContact CA-OG1 3.5Å; L289-T295 HydrophobicContact CD2-CG2 4.18Å; L289-T295 CarbonylContact O-C 3.56Å; L289-T295 WeakPolarHBondContact O-CB 3.49Å; L289-T295 PolarHBondContact O-OG1 3.07Å; L289-R296 WeakPolarHBondContact O-CA 3.34Å; L289-R296 PolarHBondContact O-N 2.92Å
290	L	94.6	Very high	94	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-71.3	-32.5	177.1	-70.4	173.5	0	0	0	113.1	Y231 A286 Y288 R296 I300 V303 F330	Y231-L290 HydrophobicContact CE2-CD1 4.34Å; A286-L290 WeakPolarHBondContact O-CB 3.43Å; A286-L290 VanDerWaalsContact O-CG 3.3Å; A286-L290 WeakPolarHBondContact O-CG 3.35Å; A286-L290 PolarHBondContact O-N 2.94Å; Y288-L290 VanDerWaalsContact C-N 3.28Å; Y288-L290 PolarHBondContact O-N 2.55Å; L290-R296 PolarHBondContact O-NE 3.06Å; L290-I300 HydrophobicContact CD2-CG1 3.8Å; L290-V303 HydrophobicContact CD1-CG2 4.17Å; L290-V303 HydrophobicContact CG-CG2 4.41Å; L290-F330 HydrophobicContact CB-CB 4.18Å; L290-F330 HydrophobicContact CB-CD1 3.75Å; L290-F330 HydrophobicContact CB-CD2 4.24Å; L290-F330 HydrophobicContact CB-CE1 4.16Å; L290-F330 HydrophobicContact CB-CG 3.79Å; L290-F330 HydrophobicContact CD1-CD2 4.14Å; L290-F330 HydrophobicContact CD1-CE2 4.14Å
291	F	91.6	Very high	94.1	Very high	80 Å²	80	51.8 Å²	51.8	35%	0.351	28%	0.276	S	S	.	.	H	α-helix	trans	-71.3	-48.4	-173.3	-161.7	-92.8	0	0	0	112.4	F58 G287 Y288 R296 F330	F58-F291 HydrophobicContact CD1-CE1 4.02Å; G287-F291 WeakPolarHBondContact O-CB 3.13Å; G287-F291 PolarHBondContact O-N 2.79Å; Y288-F291 PolarHBondContact O-N 3.24Å; Y288-F291 VanDerWaalsContact O-N 3.1Å; F291-R296 PolarHBondContact O-NH2 2.9Å; F291-F330 HydrophobicContact CD2-CE1 4.47Å
292	F	90	Very high	94.1	Very high	53 Å²	53	52.6 Å²	52.6	23%	0.232	27%	0.27	C	S	.	.	S	Bend	trans	-79.7	135.5	-176.8	-57.7	-69.3	0	0	0	112.7	F58 Y288 A294 T295 R296	F58-F292 HydrophobicContact CD1-CE1 4.43Å; F58-F292 AromaticContact CE1-CE1 3.71Å; F58-F292 HydrophobicContact CE1-CE1 3.71Å; F58-F292 HydrophobicContact CE1-CZ 4.19Å; F58-F292 AromaticContact CZ-CE1 3.81Å; F58-F292 HydrophobicContact CZ-CE1 3.81Å; F58-F292 HydrophobicContact CZ-CZ 4.25Å; Y288-F292 HydrophobicContact CD1-CE2 4.28Å; Y288-F292 WeakPolarHBondContact O-CD2 3.44Å; Y288-F292 PolarHBondContact O-N 2.98Å; F292-A294 VanDerWaalsContact C-N 3.3Å; F292-A294 PolarHBondContact O-N 3.22Å; F292-T295 WeakPolarHBondContact CB-OG1 3.32Å; F292-T295 PolarHBondContact O-N 3.27Å; F292-T295 PolarHBondContact O-OG1 3.01Å; F292-R296 WeakPolarHBondContact O-CB 3.28Å; F292-R296 PolarHBondContact O-N 2.74Å
293	D	88.1	Confident	94.1	Very high	60 Å²	60	51.5 Å²	51.5	32%	0.321	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-40.7	-176.6	-67.4	-50.1	0	0	0	113.2	R296 Y332	D293-R296 IonicContact OD1-CZ 2.68Å; D293-R296 IonicContact OD1-NH1 3.35Å; D293-R296 PolarHBondContact OD1-NH1 3.2Å; D293-R296 IonicContact OD1-NH2 2.67Å; D293-R296 PolarHBondContact OD1-NH2 3.15Å; D293-Y332 PolarHBondContact OD1-OH 3.45Å
294	A	89.8	Confident	94.1	Very high	85 Å²	85	53.1 Å²	53.1	70%	0.702	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-35	-178.3	0	0	0	0	0	113.2	F292	F292-A294 VanDerWaalsContact C-N 3.3Å; F292-A294 PolarHBondContact O-N 3.22Å
295	T	94	Very high	94	Very high	43 Å²	43	56.4 Å²	56.4	26%	0.264	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-15.5	-177.6	55.7	0	0	0	0	113.1	L289 F292 F298 G299	L289-T295 WeakPolarHBondContact CA-OG1 3.5Å; L289-T295 HydrophobicContact CD2-CG2 4.18Å; L289-T295 CarbonylContact O-C 3.56Å; L289-T295 WeakPolarHBondContact O-CB 3.49Å; L289-T295 PolarHBondContact O-OG1 3.07Å; F292-T295 WeakPolarHBondContact CB-OG1 3.32Å; F292-T295 PolarHBondContact O-N 3.27Å; F292-T295 PolarHBondContact O-OG1 3.01Å; T295-F298 WeakPolarHBondContact O-CB 3.3Å; T295-F298 PolarHBondContact O-N 3.48Å; T295-G299 PolarHBondContact O-N 3.25Å
296	R	93.9	Very high	93.9	Very high	22 Å²	22	56 Å²	56	8%	0.083	28%	0.279	C	S	.	.	H	α-helix	trans	-53.2	-44.1	-173.2	-176.7	-175	-57.7	137.8	1.8	114.4	L289 L290 F291 F292 D293 F298 G299 I300 F330	L289-R296 WeakPolarHBondContact O-CA 3.34Å; L289-R296 PolarHBondContact O-N 2.92Å; L290-R296 PolarHBondContact O-NE 3.06Å; F291-R296 PolarHBondContact O-NH2 2.9Å; F292-R296 WeakPolarHBondContact O-CB 3.28Å; F292-R296 PolarHBondContact O-N 2.74Å; D293-R296 IonicContact OD1-CZ 2.68Å; D293-R296 IonicContact OD1-NH1 3.35Å; D293-R296 PolarHBondContact OD1-NH1 3.2Å; D293-R296 IonicContact OD1-NH2 2.67Å; D293-R296 PolarHBondContact OD1-NH2 3.15Å; R296-F298 VanDerWaalsContact C-N 3.31Å; R296-F298 PolarHBondContact O-N 3.33Å; R296-G299 PolarHBondContact O-N 2.9Å; R296-I300 HydrophobicContact CG-CD1 3.84Å; R296-I300 HydrophobicContact CG-CG1 4.24Å; R296-I300 WeakPolarHBondContact O-CG1 3.22Å; R296-I300 PolarHBondContact O-N 3.34Å; R296-F330 PolarHBondContact NE-O 3Å; R296-F330 PolarHBondContact NH2-O 2.94Å
297	P	94.3	Very high	93.8	Very high	84 Å²	84	56 Å²	56	55%	0.545	28%	0.279	S	S	.	.	H	α-helix	trans	-59.8	-41.5	178.2	-24.6	35.7	0	0	0	112.7	I300 F301	P297-I300 PolarHBondContact O-N 3.23Å; P297-F301 PolarHBondContact O-N 3.43Å
298	F	95.1	Very high	93.7	Very high	134 Å²	134	59.1 Å²	59.1	59%	0.588	30%	0.3	S	S	*	.	H	α-helix	trans	-65.5	-44.1	174.9	-57.7	-78.4	0	0	0	111.2	T295 R296 I300 F301 F302	T295-F298 WeakPolarHBondContact O-CB 3.3Å; T295-F298 PolarHBondContact O-N 3.48Å; R296-F298 VanDerWaalsContact C-N 3.31Å; R296-F298 PolarHBondContact O-N 3.33Å; F298-I300 PolarHBondContact O-N 2.99Å; F298-F301 PolarHBondContact O-N 2.98Å; F298-F302 VanDerWaalsContact O-CD2 3.25Å; F298-F302 WeakPolarHBondContact O-CD2 3.42Å; F298-F302 PolarHBondContact O-N 3.38Å
299	G	95.5	Very high	93.5	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-56.8	-47.6	174.9	0	0	0	0	0	112.4	T295 R296 F301 F302 V303	T295-G299 PolarHBondContact O-N 3.25Å; R296-G299 PolarHBondContact O-N 2.9Å; G299-F301 VanDerWaalsContact C-N 3.34Å; G299-F301 PolarHBondContact O-N 3.35Å; G299-F302 PolarHBondContact O-N 3.32Å; G299-V303 WeakPolarHBondContact O-CB 3.38Å; G299-V303 WeakPolarHBondContact O-CG2 3.46Å; G299-V303 PolarHBondContact O-N 2.99Å
300	I	95.6	Very high	93.2	Very high	51 Å²	51	54.4 Å²	54.4	26%	0.262	28%	0.281	S	S	.	.	H	α-helix	trans	-60.6	-44	177.4	-70.5	170.8	0	0	0	110.7	L290 R296 P297 F298 S304	L290-I300 HydrophobicContact CD2-CG1 3.8Å; R296-I300 HydrophobicContact CG-CD1 3.84Å; R296-I300 HydrophobicContact CG-CG1 4.24Å; R296-I300 WeakPolarHBondContact O-CG1 3.22Å; R296-I300 PolarHBondContact O-N 3.34Å; P297-I300 PolarHBondContact O-N 3.23Å; F298-I300 PolarHBondContact O-N 2.99Å; I300-S304 WeakPolarHBondContact O-CB 3.48Å; I300-S304 PolarHBondContact O-N 3.45Å; I300-S304 PolarHBondContact O-OG 2.99Å
301	F	96	Very high	92.8	Very high	133 Å²	133	55.9 Å²	55.9	58%	0.583	29%	0.292	S	S	*	.	H	α-helix	trans	-60.4	-56.2	178.4	174.8	-97.6	0	0	0	111.9	P297 F298 G299 S304 Y305	P297-F301 PolarHBondContact O-N 3.43Å; F298-F301 PolarHBondContact O-N 2.98Å; G299-F301 VanDerWaalsContact C-N 3.34Å; G299-F301 PolarHBondContact O-N 3.35Å; F301-S304 PolarHBondContact O-N 3.12Å; F301-Y305 WeakPolarHBondContact O-CB 3.24Å; F301-Y305 PolarHBondContact O-N 2.87Å
302	F	95.3	Very high	92.6	Very high	99 Å²	99	57.5 Å²	57.5	43%	0.434	30%	0.3	S	S	.	.	H	α-helix	trans	-67.2	-41.8	-176	-75.4	-67.3	0	0	0	112.8	L282 F298 G299 S304 Y305 F306	L282-F302 HydrophobicContact CD1-CB 3.83Å; F298-F302 VanDerWaalsContact O-CD2 3.25Å; F298-F302 WeakPolarHBondContact O-CD2 3.42Å; F298-F302 PolarHBondContact O-N 3.38Å; G299-F302 PolarHBondContact O-N 3.32Å; F302-S304 VanDerWaalsContact C-N 3.33Å; F302-S304 PolarHBondContact O-N 3.45Å; F302-Y305 PolarHBondContact O-N 3.39Å; F302-F306 VanDerWaalsContact O-CB 3.31Å; F302-F306 WeakPolarHBondContact O-CB 3.34Å; F302-F306 PolarHBondContact O-N 3.12Å
303	V	95.9	Very high	92.2	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.006	30%	0.295	C	S	.	.	H	α-helix	trans	-64	-40.8	176.2	169.4	0	0	0	0	110.8	Y231 A286 L290 G299 F306 H307	Y231-V303 WeakPolarHBondContact OH-CG1 3.27Å; A286-V303 HydrophobicContact CB-CG2 3.73Å; L290-V303 HydrophobicContact CD1-CG2 4.17Å; L290-V303 HydrophobicContact CG-CG2 4.41Å; G299-V303 WeakPolarHBondContact O-CB 3.38Å; G299-V303 WeakPolarHBondContact O-CG2 3.46Å; G299-V303 PolarHBondContact O-N 2.99Å; V303-F306 PolarHBondContact O-N 2.79Å; V303-H307 PolarHBondContact O-CD2 3.19Å; V303-H307 PolarHBondContact O-N 3.23Å
304	S	95.7	Very high	91.9	Very high	36 Å²	36	54.8 Å²	54.8	25%	0.252	29%	0.286	S	S	.	.	H	α-helix	trans	-67	-43.9	178.3	-57.7	0	0	0	0	111.7	I300 F301 F302 F306 H307 C308	I300-S304 WeakPolarHBondContact O-CB 3.48Å; I300-S304 PolarHBondContact O-N 3.45Å; I300-S304 PolarHBondContact O-OG 2.99Å; F301-S304 PolarHBondContact O-N 3.12Å; F302-S304 VanDerWaalsContact C-N 3.33Å; F302-S304 PolarHBondContact O-N 3.45Å; S304-F306 PolarHBondContact O-N 3.26Å; S304-H307 PolarHBondContact O-N 3.37Å; S304-C308 WeakPolarHBondContact O-CB 3.22Å; S304-C308 PolarHBondContact O-N 3.47Å; S304-C308 PolarHBondContact O-SG 3.25Å
305	Y	93.9	Very high	91.2	Very high	117 Å²	117	57.2 Å²	57.2	46%	0.459	30%	0.298	S	S	.	.	H	α-helix	trans	-58	-47.8	174.7	177.9	-100.3	0	0	0	111.5	F301 F302 H307 C308 M309	F301-Y305 WeakPolarHBondContact O-CB 3.24Å; F301-Y305 PolarHBondContact O-N 2.87Å; F302-Y305 PolarHBondContact O-N 3.39Å; Y305-H307 PolarHBondContact O-N 3.46Å; Y305-C308 PolarHBondContact O-N 2.88Å; Y305-M309 HydrophobicContact CE1-SD 4.33Å; Y305-M309 WeakPolarHBondContact O-CB 3.46Å; Y305-M309 PolarHBondContact O-N 3.1Å
306	F	92.5	Very high	90.2	Very high	32 Å²	32	57.1 Å²	57.1	14%	0.14	30%	0.296	C	S	.	.	H	α-helix	trans	-59.2	-45.7	178.4	174.9	-109.1	0	0	0	113.1	L282 F302 V303 S304 M309 N310	L282-F306 HydrophobicContact CD2-CB 3.41Å; L282-F306 VanDerWaalsContact CD2-CB 3.41Å; L282-F306 HydrophobicContact CD2-CD1 4.12Å; L282-F306 HydrophobicContact CD2-CD2 3.75Å; L282-F306 HydrophobicContact CD2-CG 3.51Å; F302-F306 VanDerWaalsContact O-CB 3.31Å; F302-F306 WeakPolarHBondContact O-CB 3.34Å; F302-F306 PolarHBondContact O-N 3.12Å; V303-F306 PolarHBondContact O-N 2.79Å; S304-F306 PolarHBondContact O-N 3.26Å; F306-M309 HydrophobicContact CD2-CE 4.22Å; F306-M309 WeakPolarHBondContact O-CB 3.44Å; F306-M309 PolarHBondContact O-N 2.87Å; F306-N310 WeakPolarHBondContact CD1-ND2 3.44Å; F306-N310 WeakPolarHBondContact CE1-ND2 3.29Å; F306-N310 WeakPolarHBondContact CE2-ND2 3.42Å; F306-N310 WeakPolarHBondContact CZ-ND2 3.5Å; F306-N310 WeakPolarHBondContact O-CB 3.33Å; F306-N310 VanDerWaalsContact O-CG 3.27Å; F306-N310 PolarHBondContact O-N 2.94Å; F306-N310 PolarHBondContact O-ND2 3.49Å
307	H	93.8	Very high	89.6	Confident	1 Å²	1	56.9 Å²	56.9	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-70.7	-36.6	178.1	-73.9	-57.5	0	0	0	112.8	Y231 V303 S304 Y305 M309 N310 S311 A320 M323 L324	Y231-H307 AromaticContact CE1-NE2 3.69Å; Y231-H307 AromaticContact CZ-NE2 3.64Å; Y231-H307 PolarHBondContact OH-NE2 2.96Å; V303-H307 PolarHBondContact O-CD2 3.19Å; V303-H307 PolarHBondContact O-N 3.23Å; S304-H307 PolarHBondContact O-N 3.37Å; Y305-H307 PolarHBondContact O-N 3.46Å; H307-M309 VanDerWaalsContact C-N 3.32Å; H307-M309 PolarHBondContact O-N 3.45Å; H307-N310 PolarHBondContact O-N 3.24Å; H307-S311 PolarHBondContact O-N 3.04Å; H307-A320 HydrophobicContact CB-CB 4.11Å; H307-A320 VanDerWaalsContact O-CB 3.23Å; H307-A320 WeakPolarHBondContact O-CB 3.35Å; H307-M323 VanDerWaalsContact CE1-CB 3.48Å; H307-M323 WeakPolarHBondContact CE1-CB 3.12Å; H307-M323 WeakPolarHBondContact NE2-CB 3.38Å; H307-L324 HydrophobicContact CB-CD1 4.42Å; H307-L324 HydrophobicContact CB-CD2 4.17Å; H307-L324 HydrophobicContact CB-CG 3.93Å
308	C	92.4	Very high	89.3	Confident	65 Å²	65	53.7 Å²	53.7	44%	0.439	28%	0.278	S	S	.	.	H	α-helix	trans	-60.1	-44.9	171	-74.2	0	0	0	0	111	S304 Y305 S311	S304-C308 WeakPolarHBondContact O-CB 3.22Å; S304-C308 PolarHBondContact O-N 3.47Å; S304-C308 PolarHBondContact O-SG 3.25Å; Y305-C308 PolarHBondContact O-N 2.88Å; C308-S311 WeakPolarHBondContact O-CB 3.45Å; C308-S311 PolarHBondContact O-N 2.93Å; C308-S311 PolarHBondContact O-OG 3.45Å
309	M	89.4	Confident	89.1	Confident	30 Å²	30	48 Å²	48	15%	0.148	25%	0.253	C	S	.	.	H	α-helix	trans	-61.5	-47.9	175.8	-168.4	-177.4	66	0	0	111.4	L257 F258 Y305 F306 H307 S311 Q312 L313	L257-M309 HydrophobicContact CD1-CG 3.92Å; F258-M309 HydrophobicContact CE1-SD 4.11Å; F258-M309 HydrophobicContact CZ-CE 4.36Å; F258-M309 HydrophobicContact CZ-SD 3.99Å; Y305-M309 HydrophobicContact CE1-SD 4.33Å; Y305-M309 WeakPolarHBondContact O-CB 3.46Å; Y305-M309 PolarHBondContact O-N 3.1Å; F306-M309 HydrophobicContact CD2-CE 4.22Å; F306-M309 WeakPolarHBondContact O-CB 3.44Å; F306-M309 PolarHBondContact O-N 2.87Å; H307-M309 VanDerWaalsContact C-N 3.32Å; H307-M309 PolarHBondContact O-N 3.45Å; M309-S311 VanDerWaalsContact C-N 3.26Å; M309-S311 PolarHBondContact O-N 3.25Å; M309-Q312 WeakPolarHBondContact O-CB 3.32Å; M309-Q312 PolarHBondContact O-N 3.06Å; M309-L313 HydrophobicContact CE-CD1 3.95Å; M309-L313 HydrophobicContact CG-CD1 3.67Å; M309-L313 HydrophobicContact CG-CG 4.16Å; M309-L313 WeakPolarHBondContact O-CG 3.35Å; M309-L313 PolarHBondContact O-N 3.41Å; M309-L313 HydrophobicContact SD-CD1 4.1Å
310	N	88.9	Confident	89	Confident	16 Å²	16	48.2 Å²	48.2	9%	0.086	26%	0.256	C	S	.	.	H	α-helix	trans	-60.7	-33.8	177.4	-74.1	-18.7	0	0	0	112.9	F306 H307 Q312 L313 F314	F306-N310 WeakPolarHBondContact CD1-ND2 3.44Å; F306-N310 WeakPolarHBondContact CE1-ND2 3.29Å; F306-N310 WeakPolarHBondContact CE2-ND2 3.42Å; F306-N310 WeakPolarHBondContact CZ-ND2 3.5Å; F306-N310 WeakPolarHBondContact O-CB 3.33Å; F306-N310 VanDerWaalsContact O-CG 3.27Å; F306-N310 PolarHBondContact O-N 2.94Å; F306-N310 PolarHBondContact O-ND2 3.49Å; H307-N310 PolarHBondContact O-N 3.24Å; N310-Q312 PolarHBondContact O-N 2.88Å; N310-L313 PolarHBondContact O-N 3.06Å; N310-F314 HydrophobicContact CB-CD2 4.24Å; N310-F314 PolarHBondContact O-N 3.25Å
311	S	87.7	Confident	88.9	Confident	32 Å²	32	51 Å²	51	22%	0.224	26%	0.263	C	S	.	.	H	α-helix	trans	-64.2	-20.7	175.4	79.9	0	0	0	0	113.5	H307 C308 M309	H307-S311 PolarHBondContact O-N 3.04Å; C308-S311 WeakPolarHBondContact O-CB 3.45Å; C308-S311 PolarHBondContact O-N 2.93Å; C308-S311 PolarHBondContact O-OG 3.45Å; M309-S311 VanDerWaalsContact C-N 3.26Å; M309-S311 PolarHBondContact O-N 3.25Å
312	Q	86.4	Confident	88.9	Confident	113 Å²	113	44.7 Å²	44.7	53%	0.528	24%	0.236	S	C	.	.	H	α-helix	trans	-98.2	-39.2	177.3	-57.3	-52.2	-67.1	0	0	111.9	L257 M309 N310	L257-Q312 HydrophobicContact CD1-CB 3.9Å; M309-Q312 WeakPolarHBondContact O-CB 3.32Å; M309-Q312 PolarHBondContact O-N 3.06Å; N310-Q312 PolarHBondContact O-N 2.88Å
313	L	82.6	Confident	88.9	Confident	24 Å²	24	40 Å²	40	13%	0.126	22%	0.215	C	C	.	.	H	α-helix	trans	-71.3	-38.5	-179	-71.9	174.2	0	0	0	112.7	L252 H255 L257 F258 M309 N310	L252-L313 HydrophobicContact CD1-CB 4.29Å; L252-L313 HydrophobicContact CD1-CD1 4.28Å; L252-L313 HydrophobicContact CD1-CD2 3.82Å; L252-L313 HydrophobicContact CD1-CG 4.36Å; L252-L313 HydrophobicContact CD2-CD1 4.22Å; L252-L313 HydrophobicContact CG-CD1 4.41Å; L252-L313 HydrophobicContact CG-CD2 4.38Å; H255-L313 HydrophobicContact CB-CD2 3.9Å; H255-L313 VanDerWaalsContact CG-CD2 3.47Å; H255-L313 VanDerWaalsContact ND1-CD2 3.3Å; H255-L313 WeakPolarHBondContact ND1-CD2 3.36Å; L257-L313 HydrophobicContact CB-CD2 4.48Å; L257-L313 HydrophobicContact CD1-CD1 4.48Å; L257-L313 HydrophobicContact CD1-CD2 3.59Å; L257-L313 HydrophobicContact CD1-CG 3.66Å; F258-L313 HydrophobicContact CE2-CD1 4.12Å; F258-L313 HydrophobicContact CE2-CD2 3.95Å; F258-L313 HydrophobicContact CZ-CD1 4.04Å; M309-L313 HydrophobicContact CE-CD1 3.95Å; M309-L313 HydrophobicContact CG-CD1 3.67Å; M309-L313 HydrophobicContact CG-CG 4.16Å; M309-L313 WeakPolarHBondContact O-CG 3.35Å; M309-L313 PolarHBondContact O-N 3.41Å; M309-L313 HydrophobicContact SD-CD1 4.1Å; N310-L313 PolarHBondContact O-N 3.06Å
314	F	81.4	Confident	88.8	Confident	32 Å²	32	42 Å²	42	14%	0.14	23%	0.226	C	C	.	.			trans	-129.6	140.7	-169.5	-50.4	-73.1	0	0	0	112.1	L252 N310 I316 M434	L252-F314 HydrophobicContact CD1-CE1 3.94Å; L252-F314 HydrophobicContact CD1-CZ 4.02Å; L252-F314 HydrophobicContact CD2-CE1 4.33Å; L252-F314 HydrophobicContact CD2-CE2 4.46Å; L252-F314 HydrophobicContact CD2-CZ 3.67Å; N310-F314 HydrophobicContact CB-CD2 4.24Å; N310-F314 PolarHBondContact O-N 3.25Å; F314-I316 HydrophobicContact CB-CD1 3.29Å; F314-I316 HydrophobicContact CB-CG1 3.38Å; F314-I316 HydrophobicContact CD2-CD1 3.79Å; F314-I316 HydrophobicContact CG-CD1 3.69Å; F314-I316 HydrophobicContact CG-CG1 4.28Å; F314-I316 PolarHBondContact O-N 3Å; F314-M434 HydrophobicContact CD1-CE 3.97Å; F314-M434 HydrophobicContact CE1-CE 4.34Å; F314-M434 HydrophobicContact CG-CE 4.27Å
315	S	74.3	Confident	88.8	Confident	136 Å²	136	40.9 Å²	40.9	95%	0.951	22%	0.219	S	C	*	.			trans	-84.7	60.3	172.1	-64.8	0	0	0	0	111.3	G317	S315-G317 VanDerWaalsContact C-N 3.28Å; S315-G317 PolarHBondContact O-N 3.21Å
316	I	73.4	Confident	88.9	Confident	41 Å²	41	35.3 Å²	35.3	21%	0.21	20%	0.197	C	C	.	.			trans	-95.1	28.4	-175.9	-49.2	166.1	0	0	0	111.1	H180 F314 F319 M434	H180-I316 WeakPolarHBondContact CE1-CG2 3.18Å; H180-I316 PolarHBondContact CE1-O 3.35Å; H180-I316 VanDerWaalsContact ND1-CG2 3.26Å; H180-I316 WeakPolarHBondContact ND1-CG2 3.46Å; F314-I316 HydrophobicContact CB-CD1 3.29Å; F314-I316 HydrophobicContact CB-CG1 3.38Å; F314-I316 HydrophobicContact CD2-CD1 3.79Å; F314-I316 HydrophobicContact CG-CD1 3.69Å; F314-I316 HydrophobicContact CG-CG1 4.28Å; F314-I316 PolarHBondContact O-N 3Å; I316-F319 HydrophobicContact CG2-CB 4.07Å; I316-F319 HydrophobicContact CG2-CD1 4.39Å; I316-F319 PolarHBondContact O-N 2.99Å; I316-M434 HydrophobicContact CD1-CE 3.55Å; I316-M434 HydrophobicContact CG1-CE 3.9Å
317	G	81.1	Confident	88.9	Confident	18 Å²	18	34 Å²	34	19%	0.186	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	-138.2	179.9	0	0	0	0	0	113.8	E102 S315 F319	E102-G317 VanDerWaalsContact CD-CA 3.44Å; E102-G317 WeakPolarHBondContact OE2-CA 3.49Å; S315-G317 VanDerWaalsContact C-N 3.28Å; S315-G317 PolarHBondContact O-N 3.21Å; G317-F319 PolarHBondContact O-N 3.23Å; G317-F319 VanDerWaalsContact O-N 3.17Å
318	M	89.4	Confident	88.9	Confident	16 Å²	16	35.6 Å²	35.6	8%	0.079	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	8.5	-172.1	-61.9	-58.1	-68.6	0	0	115.4	I94 I97 D98 E102 Y184 Y321 T322	I94-M318 HydrophobicContact CG2-CB 3.99Å; I94-M318 HydrophobicContact CG2-CE 3.81Å; I97-M318 HydrophobicContact CB-CE 4.29Å; I97-M318 HydrophobicContact CG2-CE 3.86Å; I97-M318 HydrophobicContact CG2-SD 4.21Å; D98-M318 HydrophobicContact CB-CB 4.37Å; D98-M318 HydrophobicContact CB-CG 3.79Å; D98-M318 WeakPolarHBondContact OD1-CG 3.48Å; E102-M318 HydrophobicContact CG-CG 4Å; Y184-M318 PolarHBondContact OH-O 3.1Å; M318-Y321 HydrophobicContact CE-CD2 3.95Å; M318-Y321 HydrophobicContact CE-CG 4.43Å; M318-Y321 PolarHBondContact O-N 3.43Å; M318-Y321 HydrophobicContact SD-CD2 4.02Å; M318-T322 PolarHBondContact O-N 3.43Å; M318-T322 PolarHBondContact O-OG1 3.38Å
319	F	90.8	Very high	89	Confident	14 Å²	14	32.6 Å²	32.6	6%	0.061	18%	0.182	C	C	.	.	H	α-helix	trans	-62.7	-53.9	-171.2	174.9	-117	0	0	0	113	H180 L183 Y184 I316 G317 Y321 T322 M323 M433	H180-F319 HydrophobicContact CB-CB 3.81Å; H180-F319 HydrophobicContact CB-CD2 3.3Å; H180-F319 HydrophobicContact CB-CE2 4.04Å; H180-F319 HydrophobicContact CB-CG 3.72Å; L183-F319 HydrophobicContact CD2-CE2 4.32Å; Y184-F319 WeakPolarHBondContact OH-CA 3.49Å; Y184-F319 PolarHBondContact OH-N 3.33Å; I316-F319 HydrophobicContact CG2-CB 4.07Å; I316-F319 HydrophobicContact CG2-CD1 4.39Å; I316-F319 PolarHBondContact O-N 2.99Å; G317-F319 PolarHBondContact O-N 3.23Å; G317-F319 VanDerWaalsContact O-N 3.17Å; F319-Y321 VanDerWaalsContact C-N 3.27Å; F319-Y321 PolarHBondContact O-N 2.74Å; F319-T322 PolarHBondContact O-N 3.4Å; F319-M323 HydrophobicContact CD2-CG 3.86Å; F319-M323 HydrophobicContact CD2-SD 4.35Å; F319-M323 HydrophobicContact CE1-CG 4.24Å; F319-M323 HydrophobicContact CE2-CG 3.42Å; F319-M323 VanDerWaalsContact CE2-CG 3.42Å; F319-M323 HydrophobicContact CE2-SD 3.62Å; F319-M323 HydrophobicContact CG-CG 4.47Å; F319-M323 HydrophobicContact CZ-CG 3.63Å; F319-M323 HydrophobicContact CZ-SD 4.12Å; F319-M323 WeakPolarHBondContact O-CG 3.49Å; F319-M323 PolarHBondContact O-N 3.06Å; F319-M433 HydrophobicContact CE1-SD 4.19Å; F319-M433 HydrophobicContact CZ-CE 4.4Å; F319-M433 HydrophobicContact CZ-SD 3.77Å
320	A	92.8	Very high	89.3	Confident	6 Å²	6	31.3 Å²	31.3	5%	0.05	18%	0.175	C	C	.	.	H	α-helix	trans	-53.6	-45.7	179	0	0	0	0	0	111.9	H307 T322 M323 L324	H307-A320 HydrophobicContact CB-CB 4.11Å; H307-A320 VanDerWaalsContact O-CB 3.23Å; H307-A320 WeakPolarHBondContact O-CB 3.35Å; A320-T322 PolarHBondContact O-N 3.43Å; A320-M323 PolarHBondContact O-N 3Å; A320-L324 VanDerWaalsContact O-CG 3.3Å; A320-L324 WeakPolarHBondContact O-CG 3.41Å; A320-L324 PolarHBondContact O-N 3.38Å
321	Y	94.1	Very high	89.5	Confident	108 Å²	108	31.8 Å²	31.8	42%	0.424	18%	0.179	S	C	.	.	H	α-helix	trans	-67	-36.7	179.3	-54.4	-64.6	0	0	0	112.7	I94 M318 F319 L324 A325	I94-Y321 WeakPolarHBondContact CD1-O 3.48Å; M318-Y321 HydrophobicContact CE-CD2 3.95Å; M318-Y321 HydrophobicContact CE-CG 4.43Å; M318-Y321 PolarHBondContact O-N 3.43Å; M318-Y321 HydrophobicContact SD-CD2 4.02Å; F319-Y321 VanDerWaalsContact C-N 3.27Å; F319-Y321 PolarHBondContact O-N 2.74Å; Y321-L324 PolarHBondContact O-N 3.02Å; Y321-A325 WeakPolarHBondContact O-CB 3.37Å; Y321-A325 PolarHBondContact O-N 3.48Å
322	T	94.8	Very high	89.7	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.006	19%	0.194	C	C	.	.	H	α-helix	trans	-66.3	-43.6	175.8	-54.1	0	0	0	0	110.9	F91 I94 Y184 M318 F319 A320 L324 A325 T326	F91-T322 HydrophobicContact CD2-CG2 4.37Å; I94-T322 WeakPolarHBondContact CG2-OG1 3.48Å; Y184-T322 HydrophobicContact CD1-CG2 3.98Å; Y184-T322 HydrophobicContact CE1-CG2 3.58Å; Y184-T322 VanDerWaalsContact CE1-OG1 3.28Å; Y184-T322 WeakPolarHBondContact CE1-OG1 3.38Å; Y184-T322 PolarHBondContact OH-OG1 3.45Å; M318-T322 PolarHBondContact O-N 3.43Å; M318-T322 PolarHBondContact O-OG1 3.38Å; F319-T322 PolarHBondContact O-N 3.4Å; A320-T322 PolarHBondContact O-N 3.43Å; T322-L324 PolarHBondContact O-N 3.19Å; T322-A325 PolarHBondContact O-N 3.02Å; T322-A325 VanDerWaalsContact O-N 3.17Å; T322-T326 HydrophobicContact CG2-CG2 4.43Å; T322-T326 WeakPolarHBondContact O-CG2 3.4Å; T322-T326 PolarHBondContact O-N 2.85Å
323	M	94.7	Very high	90	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.4	-42.7	177.1	-63.7	-54.8	-67.6	0	0	111.2	L183 I227 Y231 H307 F319 A320 A325 T326 S327	L183-M323 HydrophobicContact CD2-SD 3.85Å; I227-M323 HydrophobicContact CD1-CE 4.39Å; I227-M323 HydrophobicContact CD1-SD 4.37Å; I227-M323 HydrophobicContact CG2-CE 3.86Å; Y231-M323 HydrophobicContact CD2-CE 4.47Å; Y231-M323 HydrophobicContact CE1-CE 4.17Å; Y231-M323 HydrophobicContact CE2-CE 3.61Å; Y231-M323 VanDerWaalsContact CZ-CE 3.41Å; Y231-M323 WeakPolarHBondContact OH-CE 3.25Å; H307-M323 VanDerWaalsContact CE1-CB 3.48Å; H307-M323 WeakPolarHBondContact CE1-CB 3.12Å; H307-M323 WeakPolarHBondContact NE2-CB 3.38Å; F319-M323 HydrophobicContact CD2-CG 3.86Å; F319-M323 HydrophobicContact CD2-SD 4.35Å; F319-M323 HydrophobicContact CE1-CG 4.24Å; F319-M323 HydrophobicContact CE2-CG 3.42Å; F319-M323 VanDerWaalsContact CE2-CG 3.42Å; F319-M323 HydrophobicContact CE2-SD 3.62Å; F319-M323 HydrophobicContact CG-CG 4.47Å; F319-M323 HydrophobicContact CZ-CG 3.63Å; F319-M323 HydrophobicContact CZ-SD 4.12Å; F319-M323 WeakPolarHBondContact O-CG 3.49Å; F319-M323 PolarHBondContact O-N 3.06Å; A320-M323 PolarHBondContact O-N 3Å; M323-A325 VanDerWaalsContact C-N 3.32Å; M323-A325 PolarHBondContact O-N 3.17Å; M323-T326 PolarHBondContact O-N 2.64Å; M323-T326 PolarHBondContact O-OG1 2.95Å; M323-S327 PolarHBondContact O-N 3.1Å; M323-S327 VanDerWaalsContact O-N 3.13Å; M323-S327 PolarHBondContact O-OG 3.21Å
324	L	95	Very high	90.5	Very high	45 Å²	45	34 Å²	34	24%	0.236	19%	0.185	C	C	.	.	H	α-helix	trans	-56.9	-42.6	171.7	-72.9	171.1	0	0	0	112.7	H307 A320 Y321 T322 T326 S327 P328	H307-L324 HydrophobicContact CB-CD1 4.42Å; H307-L324 HydrophobicContact CB-CD2 4.17Å; H307-L324 HydrophobicContact CB-CG 3.93Å; A320-L324 VanDerWaalsContact O-CG 3.3Å; A320-L324 WeakPolarHBondContact O-CG 3.41Å; A320-L324 PolarHBondContact O-N 3.38Å; Y321-L324 PolarHBondContact O-N 3.02Å; T322-L324 PolarHBondContact O-N 3.19Å; L324-T326 VanDerWaalsContact C-N 3.25Å; L324-T326 PolarHBondContact O-N 3.12Å; L324-S327 PolarHBondContact O-N 3.31Å; L324-P328 WeakPolarHBondContact O-CD 3.3Å
325	A	95.4	Very high	91	Very high	12 Å²	12	35.2 Å²	35.2	10%	0.099	19%	0.189	C	C	.	.	H	α-helix	trans	-68.7	-22.1	176.9	0	0	0	0	0	113.7	L90 I94 Y321 T322 M323	L90-A325 HydrophobicContact CB-CB 3.93Å; L90-A325 HydrophobicContact CD1-CB 4.29Å; I94-A325 HydrophobicContact CD1-CB 3.49Å; I94-A325 VanDerWaalsContact CD1-CB 3.49Å; Y321-A325 WeakPolarHBondContact O-CB 3.37Å; Y321-A325 PolarHBondContact O-N 3.48Å; T322-A325 PolarHBondContact O-N 3.02Å; T322-A325 VanDerWaalsContact O-N 3.17Å; M323-A325 VanDerWaalsContact C-N 3.32Å; M323-A325 PolarHBondContact O-N 3.17Å
326	T	95	Very high	91.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-85	-27.2	177	68.9	0	0	0	0	113.1	F87 I227 T322 M323 L324 P328 L329	F87-T326 HydrophobicContact CD2-CG2 4.46Å; F87-T326 HydrophobicContact CE2-CG2 3.66Å; F87-T326 HydrophobicContact CZ-CG2 4.5Å; I227-T326 HydrophobicContact CD1-CG2 3.63Å; I227-T326 HydrophobicContact CG1-CG2 4.18Å; T322-T326 HydrophobicContact CG2-CG2 4.43Å; T322-T326 WeakPolarHBondContact O-CG2 3.4Å; T322-T326 PolarHBondContact O-N 2.85Å; M323-T326 PolarHBondContact O-N 2.64Å; M323-T326 PolarHBondContact O-OG1 2.95Å; L324-T326 VanDerWaalsContact C-N 3.25Å; L324-T326 PolarHBondContact O-N 3.12Å; T326-P328 VanDerWaalsContact C-CD 3.43Å; T326-P328 VanDerWaalsContact C-N 3.34Å; T326-L329 WeakPolarHBondContact O-CB 3.47Å; T326-L329 PolarHBondContact O-N 2.94Å
327	S	93.3	Very high	92.7	Very high	4 Å²	4	27.9 Å²	27.9	3%	0.028	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-52	-41.5	-177.5	-56.4	0	0	0	0	114.2	M323 L324 L329 F330	M323-S327 PolarHBondContact O-N 3.1Å; M323-S327 VanDerWaalsContact O-N 3.13Å; M323-S327 PolarHBondContact O-OG 3.21Å; L324-S327 PolarHBondContact O-N 3.31Å; S327-L329 PolarHBondContact O-N 2.95Å; S327-L329 VanDerWaalsContact O-N 3.12Å; S327-F330 PolarHBondContact O-N 3.04Å; S327-F330 VanDerWaalsContact O-N 3.15Å
328	P	94.1	Very high	93.1	Very high	35 Å²	35	32.4 Å²	32.4	23%	0.227	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-63.4	-16.4	177.5	-22.8	34.5	0	0	0	114.8	S83 L324 T326 F330 C331 W335	S83-P328 PolarHBondContact OG-O 2.71Å; L324-P328 WeakPolarHBondContact O-CD 3.3Å; T326-P328 VanDerWaalsContact C-CD 3.43Å; T326-P328 VanDerWaalsContact C-N 3.34Å; P328-F330 PolarHBondContact O-N 3.34Å; P328-C331 WeakPolarHBondContact O-CB 3.44Å; P328-C331 PolarHBondContact O-N 3.2Å; P328-C331 VanDerWaalsContact O-N 3.16Å; P328-W335 HydrophobicContact CB-CH2 4.36Å; P328-W335 HydrophobicContact CB-CZ2 3.54Å; P328-W335 HydrophobicContact CG-CZ2 4.44Å; P328-W335 PolarHBondContact O-NE1 3.33Å
329	L	94.9	Very high	93.1	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-61.2	-26.2	174.3	-75.9	169.4	0	0	0	112.6	F87 Y220 L223 R224 T326 S327 C331	F87-L329 HydrophobicContact CB-CD1 4.41Å; F87-L329 HydrophobicContact CB-CD2 3.54Å; F87-L329 HydrophobicContact CB-CG 3.97Å; F87-L329 HydrophobicContact CD1-CD1 4.14Å; F87-L329 HydrophobicContact CD1-CD2 4.13Å; F87-L329 HydrophobicContact CD2-CD1 3.5Å; F87-L329 VanDerWaalsContact CD2-CD1 3.5Å; F87-L329 HydrophobicContact CD2-CD2 4.23Å; F87-L329 HydrophobicContact CD2-CG 3.85Å; F87-L329 HydrophobicContact CE1-CD1 4.29Å; F87-L329 HydrophobicContact CE2-CD1 3.68Å; F87-L329 HydrophobicContact CG-CD1 3.73Å; F87-L329 HydrophobicContact CG-CD2 3.7Å; F87-L329 HydrophobicContact CG-CG 3.85Å; F87-L329 HydrophobicContact CZ-CD1 4.06Å; Y220-L329 HydrophobicContact CD1-CD2 4.46Å; Y220-L329 HydrophobicContact CE1-CD2 4.42Å; L223-L329 HydrophobicContact CB-CD1 4.02Å; L223-L329 HydrophobicContact CD1-CD1 4.29Å; L223-L329 HydrophobicContact CD1-CD2 4.26Å; R224-L329 VanDerWaalsContact CZ-O 3.22Å; R224-L329 PolarHBondContact NE-O 3.22Å; R224-L329 PolarHBondContact NH2-O 3.13Å; T326-L329 WeakPolarHBondContact O-CB 3.47Å; T326-L329 PolarHBondContact O-N 2.94Å; S327-L329 PolarHBondContact O-N 2.95Å; S327-L329 VanDerWaalsContact O-N 3.12Å; L329-C331 VanDerWaalsContact C-N 3.35Å
330	F	94.7	Very high	93	Very high	3 Å²	3	36.9 Å²	36.9	1%	0.013	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-78.7	-20.5	179.6	-71.6	-92.7	0	0	0	112.6	R224 I227 L290 F291 R296 S327 P328	R224-F330 HydrophobicContact CB-CE1 3.99Å; R224-F330 HydrophobicContact CB-CZ 4.19Å; R224-F330 HydrophobicContact CG-CD1 4.28Å; R224-F330 HydrophobicContact CG-CE1 4.21Å; R224-F330 HydrophobicContact CG-CZ 4.46Å; R224-F330 WeakPolarHBondContact O-CZ 3.25Å; I227-F330 HydrophobicContact CB-CE2 3.98Å; I227-F330 HydrophobicContact CB-CZ 4.05Å; I227-F330 HydrophobicContact CG2-CE2 3.73Å; I227-F330 HydrophobicContact CG2-CZ 4.05Å; L290-F330 HydrophobicContact CB-CB 4.18Å; L290-F330 HydrophobicContact CB-CD1 3.75Å; L290-F330 HydrophobicContact CB-CD2 4.24Å; L290-F330 HydrophobicContact CB-CE1 4.16Å; L290-F330 HydrophobicContact CB-CG 3.79Å; L290-F330 HydrophobicContact CD1-CD2 4.14Å; L290-F330 HydrophobicContact CD1-CE2 4.14Å; F291-F330 HydrophobicContact CD2-CE1 4.47Å; R296-F330 PolarHBondContact NE-O 3Å; R296-F330 PolarHBondContact NH2-O 2.94Å; S327-F330 PolarHBondContact O-N 3.04Å; S327-F330 VanDerWaalsContact O-N 3.15Å; P328-F330 PolarHBondContact O-N 3.34Å
331	C	93.8	Very high	92.7	Very high	26 Å²	26	38.9 Å²	38.9	18%	0.176	19%	0.19	C	C	.	.	S	Bend	trans	-65.5	169.9	174	-63.7	0	0	0	0	112.4	R224 P328 L329 W335	R224-C331 PolarHBondContact NH2-O 2.91Å; P328-C331 WeakPolarHBondContact O-CB 3.44Å; P328-C331 PolarHBondContact O-N 3.2Å; P328-C331 VanDerWaalsContact O-N 3.16Å; L329-C331 VanDerWaalsContact C-N 3.35Å; C331-W335 HydrophobicContact CB-CB 4.22Å; C331-W335 VanDerWaalsContact CB-CD1 3.5Å; C331-W335 HydrophobicContact CB-CG 3.93Å
332	Y	91.8	Very high	92.4	Very high	134 Å²	134	43.6 Å²	43.6	53%	0.525	21%	0.207	S	C	.	.			trans	-55.6	133	174.3	-66.8	-77	0	0	0	111	D293 D334 W335	D293-Y332 PolarHBondContact OD1-OH 3.45Å; Y332-D334 VanDerWaalsContact CB-OD1 3.27Å; Y332-D334 WeakPolarHBondContact CB-OD1 3.25Å; Y332-D334 PolarHBondContact O-N 3.05Å; Y332-W335 VanDerWaalsContact O-CB 3.31Å; Y332-W335 WeakPolarHBondContact O-CB 3.41Å; Y332-W335 PolarHBondContact O-N 3.1Å
333	P	92.6	Very high	92	Very high	27 Å²	27	47.1 Å²	47.1	18%	0.175	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-22.1	-171.3	-30.5	37.6	0	0	0	116.3	T79 D80 S83 Y220	T79-P333 HydrophobicContact CG2-CB 3.78Å; T79-P333 HydrophobicContact CG2-CG 3.56Å; D80-P333 HydrophobicContact CB-CB 4Å; S83-P333 WeakPolarHBondContact CB-O 3.38Å; S83-P333 PolarHBondContact N-O 3.39Å; Y220-P333 HydrophobicContact CE2-CB 4.35Å
334	D	92.6	Very high	91.6	Very high	55 Å²	55	50.9 Å²	50.9	29%	0.294	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	2.5	-179.9	63.1	-27.7	0	0	0	114.1	D80 Y332 P336 R337 H338	D80-D334 HydrophobicContact CB-CB 4.3Å; Y332-D334 VanDerWaalsContact CB-OD1 3.27Å; Y332-D334 WeakPolarHBondContact CB-OD1 3.25Å; Y332-D334 PolarHBondContact O-N 3.05Å; D334-P336 VanDerWaalsContact C-N 3.26Å; D334-P336 VanDerWaalsContact O-N 3.14Å; D334-R337 WeakPolarHBondContact O-CB 3.36Å; D334-R337 PolarHBondContact O-N 2.94Å; D334-H338 PolarHBondContact O-ND1 3.1Å; D334-H338 VanDerWaalsContact O-ND1 3.13Å; D334-H338 IonicContact OD2-CE1 3.58Å; D334-H338 PolarHBondContact OD2-CE1 3.07Å; D334-H338 IonicContact OD2-ND1 3.17Å
335	W	92.3	Very high	90.9	Very high	58 Å²	58	54.5 Å²	54.5	22%	0.22	26%	0.262	C	S	.	.	H	α-helix	trans	-49.5	-37.6	176.9	79.6	-101.2	0	0	0	113.9	S83 I86 P328 C331 Y332 R337 H338 F339	S83-W335 PolarHBondContact OG-NE1 2.83Å; I86-W335 HydrophobicContact CB-CZ2 4.4Å; I86-W335 HydrophobicContact CG2-CH2 4.12Å; I86-W335 HydrophobicContact CG2-CZ2 4.01Å; P328-W335 HydrophobicContact CB-CH2 4.36Å; P328-W335 HydrophobicContact CB-CZ2 3.54Å; P328-W335 HydrophobicContact CG-CZ2 4.44Å; P328-W335 PolarHBondContact O-NE1 3.33Å; C331-W335 HydrophobicContact CB-CB 4.22Å; C331-W335 VanDerWaalsContact CB-CD1 3.5Å; C331-W335 HydrophobicContact CB-CG 3.93Å; Y332-W335 VanDerWaalsContact O-CB 3.31Å; Y332-W335 WeakPolarHBondContact O-CB 3.41Å; Y332-W335 PolarHBondContact O-N 3.1Å; W335-R337 VanDerWaalsContact C-N 3.25Å; W335-R337 PolarHBondContact O-N 3.1Å; W335-H338 PolarHBondContact O-N 3.33Å; W335-F339 HydrophobicContact CE3-CB 3.98Å; W335-F339 HydrophobicContact CZ3-CB 4.02Å; W335-F339 HydrophobicContact CZ3-CD1 4.3Å; W335-F339 HydrophobicContact CZ3-CG 4.14Å; W335-F339 WeakPolarHBondContact O-CB 3.26Å; W335-F339 PolarHBondContact O-N 3.5Å
336	P	92.9	Very high	90.4	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-63.6	-34.4	-178.8	-22.9	35.4	0	0	0	112.1	A82 I86 D334 H338 F339 F340	A82-P336 HydrophobicContact CB-CB 4.2Å; A82-P336 HydrophobicContact CB-CG 3.9Å; I86-P336 HydrophobicContact CD1-CB 4.49Å; I86-P336 HydrophobicContact CG1-CB 3.78Å; I86-P336 HydrophobicContact CG1-CG 3.73Å; D334-P336 VanDerWaalsContact C-N 3.26Å; D334-P336 VanDerWaalsContact O-N 3.14Å; P336-H338 VanDerWaalsContact C-N 3.35Å; P336-H338 PolarHBondContact O-N 2.96Å; P336-F339 PolarHBondContact O-N 3.36Å; P336-F340 HydrophobicContact CB-CD2 4.13Å; P336-F340 HydrophobicContact CB-CE2 4.13Å; P336-F340 WeakPolarHBondContact O-CB 3.49Å; P336-F340 WeakPolarHBondContact O-CD2 3.46Å; P336-F340 PolarHBondContact O-N 3.2Å
337	R	89.9	Confident	89.9	Confident	22 Å²	22	65 Å²	65	8%	0.083	32%	0.315	C	S	.	.	H	α-helix	trans	-62.9	-46.7	-179.9	-58.7	-179.5	-175.7	-77.9	-6.5	110.2	D80 A82 N212 D334 W335 A341 L353 P356	D80-R337 IonicContact OD1-CZ 2.77Å; D80-R337 IonicContact OD1-NE 2.75Å; D80-R337 PolarHBondContact OD1-NE 2.83Å; D80-R337 IonicContact OD1-NH2 2.67Å; D80-R337 PolarHBondContact OD1-NH2 3.23Å; D80-R337 IonicContact OD2-CZ 3.17Å; D80-R337 IonicContact OD2-NE 2.97Å; D80-R337 PolarHBondContact OD2-NE 3.08Å; D80-R337 IonicContact OD2-NH2 3.9Å; D80-R337 PolarHBondContact OD2-NH2 2.95Å; A82-R337 HydrophobicContact CB-CG 4.22Å; N212-R337 PolarHBondContact OD1-NH1 3.27Å; N212-R337 PolarHBondContact OD1-NH2 2.89Å; D334-R337 WeakPolarHBondContact O-CB 3.36Å; D334-R337 PolarHBondContact O-N 2.94Å; W335-R337 VanDerWaalsContact C-N 3.25Å; W335-R337 PolarHBondContact O-N 3.1Å; R337-A341 WeakPolarHBondContact O-CB 3.46Å; R337-A341 PolarHBondContact O-N 3.22Å; R337-L353 PolarHBondContact NH1-O 2.9Å; R337-P356 PolarHBondContact NH1-O 3.04Å
338	H	89.5	Confident	89.2	Confident	113 Å²	113	69.9 Å²	69.9	52%	0.523	33%	0.333	S	S	.	.	H	α-helix	trans	-65.4	-38	177.6	-64.7	93.9	0	0	0	112.6	D334 W335 P336	D334-H338 PolarHBondContact O-ND1 3.1Å; D334-H338 VanDerWaalsContact O-ND1 3.13Å; D334-H338 IonicContact OD2-CE1 3.58Å; D334-H338 PolarHBondContact OD2-CE1 3.07Å; D334-H338 IonicContact OD2-ND1 3.17Å; W335-H338 PolarHBondContact O-N 3.33Å; P336-H338 VanDerWaalsContact C-N 3.35Å; P336-H338 PolarHBondContact O-N 2.96Å
339	F	89.4	Confident	88.3	Confident	95 Å²	95	73.8 Å²	73.8	42%	0.417	36%	0.358	S	S	.	.	H	α-helix	trans	-68	-51.9	178.6	-178.4	-100.1	0	0	0	111.9	W335 P336 A341 R342 F343	W335-F339 HydrophobicContact CE3-CB 3.98Å; W335-F339 HydrophobicContact CZ3-CB 4.02Å; W335-F339 HydrophobicContact CZ3-CD1 4.3Å; W335-F339 HydrophobicContact CZ3-CG 4.14Å; W335-F339 WeakPolarHBondContact O-CB 3.26Å; W335-F339 PolarHBondContact O-N 3.5Å; P336-F339 PolarHBondContact O-N 3.36Å; F339-A341 VanDerWaalsContact C-N 3.31Å; F339-A341 PolarHBondContact O-N 3.01Å; F339-R342 PolarHBondContact O-N 3.43Å; F339-F343 HydrophobicContact CD1-CE2 4.17Å; F339-F343 AromaticContact CE1-CE2 3.68Å; F339-F343 HydrophobicContact CE1-CE2 3.68Å; F339-F343 AromaticContact CE1-CZ 3.99Å; F339-F343 HydrophobicContact CE1-CZ 3.99Å; F339-F343 AromaticContact CZ-CE2 3.99Å; F339-F343 HydrophobicContact CZ-CE2 3.99Å; F339-F343 HydrophobicContact CZ-CZ 4.24Å
340	F	88.8	Confident	87.7	Confident	29 Å²	29	79.2 Å²	79.2	13%	0.127	39%	0.391	C	S	.	.	H	α-helix	trans	-74.5	-19.1	-178.6	-67.3	-64.1	0	0	0	113.4	I86 P336 R342 F343 L351 P352 T354	I86-F340 HydrophobicContact CD1-CE2 3.94Å; P336-F340 HydrophobicContact CB-CD2 4.13Å; P336-F340 HydrophobicContact CB-CE2 4.13Å; P336-F340 WeakPolarHBondContact O-CB 3.49Å; P336-F340 WeakPolarHBondContact O-CD2 3.46Å; P336-F340 PolarHBondContact O-N 3.2Å; F340-R342 PolarHBondContact O-N 3.44Å; F340-F343 HydrophobicContact CD1-CD2 4.35Å; F340-F343 HydrophobicContact CD1-CE2 4.35Å; F340-F343 PolarHBondContact O-N 2.89Å; F340-L351 HydrophobicContact CD1-CD1 4.39Å; F340-L351 HydrophobicContact CD1-CD2 3.85Å; F340-L351 HydrophobicContact CE1-CD2 3.96Å; F340-P352 HydrophobicContact CD2-CB 3.95Å; F340-P352 HydrophobicContact CD2-CG 3.69Å; F340-P352 HydrophobicContact CE2-CB 4.22Å; F340-P352 HydrophobicContact CE2-CG 3.56Å; F340-P352 HydrophobicContact CG-CG 4.29Å; F340-P352 HydrophobicContact CZ-CG 3.98Å; F340-T354 HydrophobicContact CB-CG2 4.04Å
341	A	86.4	Confident	87.1	Confident	49 Å²	49	81 Å²	81	41%	0.405	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-23.3	172.3	0	0	0	0	0	113.4	R337 F339 F343 T354	R337-A341 WeakPolarHBondContact O-CB 3.46Å; R337-A341 PolarHBondContact O-N 3.22Å; F339-A341 VanDerWaalsContact C-N 3.31Å; F339-A341 PolarHBondContact O-N 3.01Å; A341-F343 VanDerWaalsContact C-N 3.31Å; A341-T354 HydrophobicContact CB-CG2 4.28Å
342	R	88.1	Confident	86.5	Confident	207 Å²	207	80 Å²	80	78%	0.781	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-8.5	178.6	-57.9	179	-168.8	173.3	0.8	113.7	F339 F340	F339-R342 PolarHBondContact O-N 3.43Å; F340-R342 PolarHBondContact O-N 3.44Å
343	F	86.6	Confident	85.8	Confident	74 Å²	74	76.1 Å²	76.1	33%	0.325	38%	0.382	S	S	.	.	S	Bend	trans	-82.2	150.9	-177.1	-80.9	-117.9	0	0	0	111.6	F339 F340 A341 L347 L351	F339-F343 HydrophobicContact CD1-CE2 4.17Å; F339-F343 AromaticContact CE1-CE2 3.68Å; F339-F343 HydrophobicContact CE1-CE2 3.68Å; F339-F343 AromaticContact CE1-CZ 3.99Å; F339-F343 HydrophobicContact CE1-CZ 3.99Å; F339-F343 AromaticContact CZ-CE2 3.99Å; F339-F343 HydrophobicContact CZ-CE2 3.99Å; F339-F343 HydrophobicContact CZ-CZ 4.24Å; F340-F343 HydrophobicContact CD1-CD2 4.35Å; F340-F343 HydrophobicContact CD1-CE2 4.35Å; F340-F343 PolarHBondContact O-N 2.89Å; A341-F343 VanDerWaalsContact C-N 3.31Å; F343-L347 HydrophobicContact CD1-CD1 4.03Å; F343-L351 HydrophobicContact CB-CD1 3.52Å; F343-L351 HydrophobicContact CD1-CD1 3.79Å; F343-L351 HydrophobicContact CG-CD1 3.8Å
344	P	86.1	Confident	85.1	Confident	80 Å²	80	76.8 Å²	76.8	52%	0.519	39%	0.385	S	S	.	.			trans	-55	144	177.6	-23.8	31.6	0	0	0	113.1	I346 L347	P344-I346 PolarHBondContact O-N 3.46Å; P344-I346 VanDerWaalsContact O-N 3.07Å; P344-L347 PolarHBondContact O-N 3.39Å
345	E	81.5	Confident	83.6	Confident	120 Å²	120	78.9 Å²	78.9	56%	0.561	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-50	-35.4	178.5	-68.8	-71.5	162.8	0	0	113.4	L347 R348	E345-L347 PolarHBondContact O-N 2.83Å; E345-R348 VanDerWaalsContact O-CB 3.31Å; E345-R348 WeakPolarHBondContact O-CB 3.05Å; E345-R348 PolarHBondContact O-N 2.95Å; E345-R348 VanDerWaalsContact O-N 3.08Å; E345-R348 IonicContact OE1-CZ 2.59Å; E345-R348 IonicContact OE1-NE 3.21Å; E345-R348 IonicContact OE1-NH1 2.99Å; E345-R348 PolarHBondContact OE1-NH1 3.37Å; E345-R348 IonicContact OE1-NH2 3.67Å; E345-R348 PolarHBondContact OE1-NH2 3.04Å; E345-R348 WeakPolarHBondContact OE2-CD 3.32Å; E345-R348 IonicContact OE2-CZ 3.16Å; E345-R348 IonicContact OE2-NE 2.69Å; E345-R348 PolarHBondContact OE2-NE 2.86Å; E345-R348 VanDerWaalsContact OE2-NE 3.17Å; E345-R348 IonicContact OE2-NH1 3.75Å; E345-R348 PolarHBondContact OE2-NH1 3.48Å; E345-R348 IonicContact OE2-NH2 3.73Å
346	I	84.8	Confident	82.3	Confident	153 Å²	153	78.6 Å²	78.6	79%	0.785	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-59.8	-29.9	-178.8	-60.6	168.8	0	0	0	112	P344 P349	P344-I346 PolarHBondContact O-N 3.46Å; P344-I346 VanDerWaalsContact O-N 3.07Å; I346-P349 WeakPolarHBondContact O-CD 3.5Å
347	L	84.1	Confident	81.4	Confident	80 Å²	80	83.7 Å²	83.7	42%	0.419	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-88.9	-11	-178.6	-61.1	178.4	0	0	0	113.1	F343 P344 E345 V350 L351	F343-L347 HydrophobicContact CD1-CD1 4.03Å; P344-L347 PolarHBondContact O-N 3.39Å; E345-L347 PolarHBondContact O-N 2.83Å; L347-V350 PolarHBondContact O-N 2.88Å; L347-V350 VanDerWaalsContact O-N 3.13Å; L347-L351 HydrophobicContact CB-CD1 3.57Å; L347-L351 HydrophobicContact CB-CG 4.06Å; L347-L351 VanDerWaalsContact O-CG 3.26Å; L347-L351 WeakPolarHBondContact O-CG 3.45Å; L347-L351 PolarHBondContact O-N 3.12Å; L347-L351 VanDerWaalsContact O-N 3.08Å
348	R	77.5	Confident	81.1	Confident	107 Å²	107	84.2 Å²	84.2	40%	0.404	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-30.7	-177.8	-70.5	-169.2	179	171.7	1	116.2	E345 V350	E345-R348 VanDerWaalsContact O-CB 3.31Å; E345-R348 WeakPolarHBondContact O-CB 3.05Å; E345-R348 PolarHBondContact O-N 2.95Å; E345-R348 VanDerWaalsContact O-N 3.08Å; E345-R348 IonicContact OE1-CZ 2.59Å; E345-R348 IonicContact OE1-NE 3.21Å; E345-R348 IonicContact OE1-NH1 2.99Å; E345-R348 PolarHBondContact OE1-NH1 3.37Å; E345-R348 IonicContact OE1-NH2 3.67Å; E345-R348 PolarHBondContact OE1-NH2 3.04Å; E345-R348 WeakPolarHBondContact OE2-CD 3.32Å; E345-R348 IonicContact OE2-CZ 3.16Å; E345-R348 IonicContact OE2-NE 2.69Å; E345-R348 PolarHBondContact OE2-NE 2.86Å; E345-R348 VanDerWaalsContact OE2-NE 3.17Å; E345-R348 IonicContact OE2-NH1 3.75Å; E345-R348 PolarHBondContact OE2-NH1 3.48Å; E345-R348 IonicContact OE2-NH2 3.73Å; R348-V350 PolarHBondContact O-N 3.45Å
349	P	77.1	Confident	81.1	Confident	117 Å²	117	83.5 Å²	83.5	76%	0.76	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-25.7	177	-23.4	34.4	0	0	0	113.9	I346	I346-P349 WeakPolarHBondContact O-CD 3.5Å
350	V	80.6	Confident	81	Confident	115 Å²	115	83 Å²	83	70%	0.697	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	-29.3	-176.6	-176.4	0	0	0	0	111.4	W200 L347 R348	W200-V350 PolarHBondContact NE1-O 3.47Å; L347-V350 PolarHBondContact O-N 2.88Å; L347-V350 VanDerWaalsContact O-N 3.13Å; R348-V350 PolarHBondContact O-N 3.45Å
351	L	83.2	Confident	81	Confident	39 Å²	39	82.1 Å²	82.1	20%	0.204	45%	0.449	C	S	.	.	S	Bend	trans	-75.4	159	-176.7	-69.7	176.4	0	0	0	113.5	F340 F343 L347	F340-L351 HydrophobicContact CD1-CD1 4.39Å; F340-L351 HydrophobicContact CD1-CD2 3.85Å; F340-L351 HydrophobicContact CE1-CD2 3.96Å; F343-L351 HydrophobicContact CB-CD1 3.52Å; F343-L351 HydrophobicContact CD1-CD1 3.79Å; F343-L351 HydrophobicContact CG-CD1 3.8Å; L347-L351 HydrophobicContact CB-CD1 3.57Å; L347-L351 HydrophobicContact CB-CG 4.06Å; L347-L351 VanDerWaalsContact O-CG 3.26Å; L347-L351 WeakPolarHBondContact O-CG 3.45Å; L347-L351 PolarHBondContact O-N 3.12Å; L347-L351 VanDerWaalsContact O-N 3.08Å
352	P	80.6	Confident	81	Confident	5 Å²	5	84.8 Å²	84.8	3%	0.032	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-57.7	150.9	175.2	-24.6	35.3	0	0	0	113.7	I86 Y199 W200 F340 T354	I86-P352 HydrophobicContact CD1-CB 4.37Å; I86-P352 HydrophobicContact CD1-CG 3.8Å; Y199-P352 HydrophobicContact CE1-CB 3.72Å; Y199-P352 VanDerWaalsContact OH-CB 3.26Å; Y199-P352 WeakPolarHBondContact OH-CB 3.27Å; W200-P352 HydrophobicContact CB-CB 4.35Å; W200-P352 HydrophobicContact CD2-CB 4.34Å; W200-P352 HydrophobicContact CD2-CG 3.71Å; W200-P352 HydrophobicContact CE3-CG 4.07Å; W200-P352 HydrophobicContact CG-CB 4.06Å; W200-P352 HydrophobicContact CG-CG 3.96Å; W200-P352 HydrophobicContact CZ2-CG 4.24Å; W200-P352 HydrophobicContact CZ3-CG 4.44Å; F340-P352 HydrophobicContact CD2-CB 3.95Å; F340-P352 HydrophobicContact CD2-CG 3.69Å; F340-P352 HydrophobicContact CE2-CB 4.22Å; F340-P352 HydrophobicContact CE2-CG 3.56Å; F340-P352 HydrophobicContact CG-CG 4.29Å; F340-P352 HydrophobicContact CZ-CG 3.98Å; P352-T354 PolarHBondContact O-N 2.67Å
353	L	78.4	Confident	81	Confident	54 Å²	54	76.2 Å²	76.2	28%	0.283	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-63.3	124	-176.3	-76.6	118.6	0	0	0	112.9	Y199 R337 P356	Y199-L353 HydrophobicContact CE2-CB 4.29Å; Y199-L353 PolarHBondContact OH-O 3.08Å; R337-L353 PolarHBondContact NH1-O 2.9Å; L353-P356 HydrophobicContact CD2-CG 3.86Å
354	T	76.7	Confident	81.2	Confident	40 Å²	40	72.7 Å²	72.7	25%	0.245	42%	0.418	C	S	.	.			trans	-95.4	-28.2	-179.5	51	0	0	0	0	114.3	F340 A341 P352	F340-T354 HydrophobicContact CB-CG2 4.04Å; A341-T354 HydrophobicContact CB-CG2 4.28Å; P352-T354 PolarHBondContact O-N 2.67Å
355	S	61.3	Low	81.4	Confident	100 Å²	100	69.3 Å²	69.3	70%	0.699	40%	0.395	S	S	*	.	S	Bend	trans	-118.4	-24.4	-156.8	49.2	0	0	0	0	120.4
356	P	65.9	Low	81.6	Confident	52 Å²	52	64.9 Å²	64.9	34%	0.338	37%	0.374	S	S	.	.	S	Bend	trans	-80.5	133.8	172.3	26.7	-27.9	0	0	0	110.7	N212 R337 L353	N212-P356 PolarHBondContact ND2-O 3Å; R337-P356 PolarHBondContact NH1-O 3.04Å; L353-P356 HydrophobicContact CD2-CG 3.86Å
357	P	73.9	Confident	81.2	Confident	107 Å²	107	62.2 Å²	62.2	70%	0.695	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-59.3	150.2	170.3	25.5	-32.8	0	0	0	110	N212 Q359	N212-P357 PolarHBondContact ND2-O 2.51Å; P357-Q359 PolarHBondContact O-N 3.07Å
358	P	83.1	Confident	80.2	Confident	32 Å²	32	63.6 Å²	63.6	21%	0.208	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-58.1	133.8	-179.9	-25.2	34.6	0	0	0	112.2	D80 N212 Q214	D80-P358 HydrophobicContact CB-CG 4.49Å; D80-P358 WeakPolarHBondContact OD2-CG 3.4Å; N212-P358 CarbonylContact O-C 3.48Å; N212-P358 VanDerWaalsContact O-CA 3.24Å; N212-P358 WeakPolarHBondContact O-CA 3.38Å; Q214-P358 HydrophobicContact CG-CB 3.42Å; Q214-P358 VanDerWaalsContact CG-CB 3.42Å
359	Q	88.2	Confident	79	Confident	98 Å²	98	63.2 Å²	63.2	46%	0.458	39%	0.387	S	S	.	.	B	Isolated β-bridge	trans	-76.3	147.6	176.7	-64.5	-172.3	-11.4	0	0	111.3	N212 S213 Q214 P357	N212-Q359 PolarHBondContact O-N 3.37Å; S213-Q359 CarbonylContact C-O 3.58Å; S213-Q359 WeakPolarHBondContact CA-O 3.46Å; Q214-Q359 PolarHBondContact N-O 3.26Å; P357-Q359 PolarHBondContact O-N 3.07Å
360	P	87.7	Confident	77.1	Confident	86 Å²	86	66.6 Å²	66.6	56%	0.558	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-60.5	141.6	175.1	-23.3	33.3	0	0	0	112.6	Y366	P360-Y366 WeakPolarHBondContact CA-OH 3.5Å; P360-Y366 HydrophobicContact CB-CE2 4.36Å
361	S	88.6	Confident	75.1	Confident	9 Å²	9	68.4 Å²	68.4	6%	0.063	39%	0.394	C	S	.	.			trans	-120.5	142.9	-177.9	-178.4	0	0	0	0	111.2	R198 Q214 S363 C364 Y366	R198-S361 PolarHBondContact NH1-OG 3.4Å; Q214-S361 WeakPolarHBondContact O-CB 3.42Å; Q214-S361 PolarHBondContact O-OG 3.31Å; S361-S363 PolarHBondContact O-N 3.02Å; S361-S363 PolarHBondContact OG-N 3.12Å; S361-C364 PolarHBondContact O-N 3.1Å; S361-Y366 PolarHBondContact N-OH 2.9Å
362	T	86.3	Confident	72.8	Confident	105 Å²	105	73.3 Å²	73.3	64%	0.644	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-12.1	174.7	58.3	0	0	0	0	113.5	C364	T362-C364 VanDerWaalsContact C-N 3.28Å
363	S	88.1	Confident	70.8	Confident	27 Å²	27	78.5 Å²	78.5	19%	0.189	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-12.8	173.9	-55.9	0	0	0	0	113	D195 S361	D195-S363 WeakPolarHBondContact OD2-CB 3.5Å; D195-S363 PolarHBondContact OD2-OG 3.22Å; S361-S363 PolarHBondContact O-N 3.02Å; S361-S363 PolarHBondContact OG-N 3.12Å
364	C	90.9	Very high	68.8	Low	1 Å²	1	82.5 Å²	82.5	1%	0.007	49%	0.489	C	S	.	.	S	Bend	trans	-105.9	156.2	-174.6	-59.7	0	0	0	0	112.2	N76 P78 S361 T362 Y366	N76-C364 CarbonylContact O-C 3.59Å; N76-C364 WeakPolarHBondContact O-CA 3.04Å; P78-C364 HydrophobicContact CB-CB 4.21Å; S361-C364 PolarHBondContact O-N 3.1Å; T362-C364 VanDerWaalsContact C-N 3.28Å; C364-Y366 HydrophobicContact CB-CE2 3.92Å
365	V	90.1	Very high	66.9	Low	8 Å²	8	84.1 Å²	84.1	5%	0.048	51%	0.513	C	S	.	.			trans	-107.2	118.5	170.9	178.9	0	0	0	0	108.8	N76 P78 T388 H392	N76-V365 HydrophobicContact CB-CB 4.21Å; N76-V365 HydrophobicContact CB-CG2 3.77Å; N76-V365 PolarHBondContact O-N 3.15Å; P78-V365 WeakPolarHBondContact CD-O 3.34Å; V365-T388 HydrophobicContact CG1-CG2 4.22Å; V365-T388 HydrophobicContact CG2-CG2 4.27Å; V365-H392 HydrophobicContact CG2-CB 4.42Å; V365-H392 WeakPolarHBondContact CG2-ND1 3.23Å
366	Y	87.1	Confident	65.7	Low	28 Å²	28	88 Å²	88	11%	0.11	53%	0.525	C	S	.	.			trans	-92.8	127.5	177	-63.3	-87.3	0	0	0	109.9	P78 Q214 P360 S361 C364 P383 S386	P78-Y366 HydrophobicContact CB-CE1 3.82Å; P78-Y366 HydrophobicContact CG-CD1 3.99Å; P78-Y366 HydrophobicContact CG-CE1 3.77Å; Q214-Y366 PolarHBondContact OE1-OH 3.43Å; P360-Y366 WeakPolarHBondContact CA-OH 3.5Å; P360-Y366 HydrophobicContact CB-CE2 4.36Å; S361-Y366 PolarHBondContact N-OH 2.9Å; C364-Y366 HydrophobicContact CB-CE2 3.92Å; Y366-P383 HydrophobicContact CD1-CB 4.36Å; Y366-P383 HydrophobicContact CD1-CG 4.35Å; Y366-P383 HydrophobicContact CG-CB 4.4Å; Y366-S386 PolarHBondContact O-N 3.41Å
367	P	75.6	Confident	64.7	Low	97 Å²	97	94.8 Å²	94.8	63%	0.63	55%	0.552	S	S	*	*			trans	-62.6	152.9	173.9	26.3	-32.1	0	0	0	110.8	T369	P367-T369 PolarHBondContact O-N 3.14Å
368	V	63.3	Low	62.7	Low	108 Å²	108	97.1 Å²	97.1	66%	0.655	56%	0.559	S	S	*	*			trans	-73.4	106.7	172.5	-178.7	0	0	0	0	107.4	Q370 A385	V368-Q370 PolarHBondContact O-N 3.31Å; V368-A385 HydrophobicContact CB-CB 4.1Å; V368-A385 HydrophobicContact CG1-CB 4.4Å; V368-A385 HydrophobicContact CG2-CB 3.37Å
369	T	52.7	Low	60.8	Low	100 Å²	100	104 Å²	104	61%	0.613	59%	0.593	S	S	*	*			trans	-75	110.3	168.6	-15.8	0	0	0	0	108.4	P367 H371	P367-T369 PolarHBondContact O-N 3.14Å; T369-H371 VanDerWaalsContact C-N 3.29Å; T369-H371 PolarHBondContact O-N 2.86Å
370	Q	36.6	Very low	58.3	Low	187 Å²	187	104 Å²	104	87%	0.874	60%	0.603	S	S	*	*			trans	-76.1	82.4	168	-74	-175	-9.6	0	0	108.6	V368	V368-Q370 PolarHBondContact O-N 3.31Å
371	H	39.3	Very low	56	Low	154 Å²	154	106.2 Å²	106.2	71%	0.713	62%	0.618	S	S	*	*			trans	-88.3	107.7	161.8	-79.8	-76	0	0	0	108.3	T369 S373	T369-H371 VanDerWaalsContact C-N 3.29Å; T369-H371 PolarHBondContact O-N 2.86Å; H371-S373 PolarHBondContact O-N 3.2Å
372	T	35.4	Very low	54	Low	141 Å²	141	109.8 Å²	109.8	87%	0.865	65%	0.648	S	S	*	*			trans	-56.2	105.3	155.7	17.2	0	0	0	0	107.5	T374	T372-T374 PolarHBondContact O-N 3.42Å
373	S	37	Very low	52.2	Low	114 Å²	114	108 Å²	108	80%	0.797	64%	0.639	S	S	*	*			trans	-72.7	109.7	179.9	52.4	0	0	0	0	110.6	H371	H371-S373 PolarHBondContact O-N 3.2Å
374	T	36	Very low	50.3	Low	139 Å²	139	116 Å²	116	85%	0.853	67%	0.67	S	S	*	*			trans	-130.4	111.1	151.5	43.3	0	0	0	0	108.8	T372	T372-T374 PolarHBondContact O-N 3.42Å
375	G	37.2	Very low	48.7	Very low	73 Å²	73	118.4 Å²	118.4	75%	0.753	69%	0.69	S	S	*	*	S	Bend	trans	97.1	112.7	153.6	0	0	0	0	0	117.8
376	L	37.2	Very low	47.7	Very low	183 Å²	183	119.7 Å²	119.7	96%	0.958	70%	0.699	S	S	*	*			trans	76.6	123.9	156.1	-75.2	132	0	0	0	119.6
377	Q	43.8	Very low	47.2	Very low	193 Å²	193	127.3 Å²	127.3	90%	0.902	73%	0.733	S	S	*	*			trans	-70.7	126.8	-176.8	-65.7	166.5	-6.1	0	0	110
378	D	32.8	Very low	47.7	Very low	157 Å²	157	124.7 Å²	124.7	84%	0.84	72%	0.715	S	S	*	*			trans	-128	132.5	154.7	-130	-15.7	0	0	0	109.9	S380	D378-S380 PolarHBondContact O-N 3.48Å
379	L	42.7	Very low	49	Very low	175 Å²	175	126.6 Å²	126.6	92%	0.916	71%	0.71	S	S	*	*	S	Bend	trans	-73.4	83.2	-169.5	-81	136.7	0	0	0	111
380	S	36	Very low	50.8	Low	98 Å²	98	129.4 Å²	129.4	69%	0.685	71%	0.714	S	S	*	*			trans	-148.1	126.1	159.2	-78.4	0	0	0	0	108.9	D378 A382	D378-S380 PolarHBondContact O-N 3.48Å; S380-A382 PolarHBondContact O-N 2.9Å
381	P	39.7	Very low	53.4	Low	134 Å²	134	128.5 Å²	128.5	87%	0.87	71%	0.708	S	S	*	*			trans	-68.5	99.7	179.4	27	-30.9	0	0	0	108.8
382	A	45.3	Very low	56	Low	84 Å²	84	121.6 Å²	121.6	69%	0.694	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-54.1	132.6	170.1	0	0	0	0	0	109.2	S380 K384	S380-A382 PolarHBondContact O-N 2.9Å; A382-K384 PolarHBondContact O-N 2.88Å; A382-K384 VanDerWaalsContact O-N 3.11Å
383	P	49.6	Very low	58.8	Low	68 Å²	68	119.3 Å²	119.3	44%	0.442	65%	0.654	S	S	.	*	P	Polyproline II helix	trans	-64	117.2	-175.4	22.8	-30.6	0	0	0	110.3	Y366	Y366-P383 HydrophobicContact CD1-CB 4.36Å; Y366-P383 HydrophobicContact CD1-CG 4.35Å; Y366-P383 HydrophobicContact CG-CB 4.4Å
384	K	47.8	Very low	61.6	Low	195 Å²	195	118.5 Å²	118.5	85%	0.848	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-58.5	138.1	172.6	-68.1	179.5	179	178.1	0	109.6	A382 S386	A382-K384 PolarHBondContact O-N 2.88Å; A382-K384 VanDerWaalsContact O-N 3.11Å; K384-S386 PolarHBondContact O-N 3.48Å
385	A	57.5	Low	64.4	Low	51 Å²	51	112.7 Å²	112.7	42%	0.421	61%	0.606	S	S	.	*	P	Polyproline II helix	trans	-48.2	121.6	179	0	0	0	0	0	112.3	V368 K387	V368-A385 HydrophobicContact CB-CB 4.1Å; V368-A385 HydrophobicContact CG1-CB 4.4Å; V368-A385 HydrophobicContact CG2-CB 3.37Å; A385-K387 PolarHBondContact O-N 3Å
386	S	68.1	Low	67.2	Low	34 Å²	34	109.2 Å²	109.2	24%	0.238	57%	0.57	C	S	.	*			trans	-85.7	115.6	-176.2	153.2	0	0	0	0	110.2	Y366 K384 T388	Y366-S386 PolarHBondContact O-N 3.41Å; K384-S386 PolarHBondContact O-N 3.48Å; S386-T388 PolarHBondContact O-N 3.32Å
387	K	78.5	Confident	70	Confident	189 Å²	189	104.1 Å²	104.1	82%	0.822	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-61.9	136.8	169.3	-67.5	-174.9	-179.8	-178.5	0	110.5	A385 R389	A385-K387 PolarHBondContact O-N 3Å; K387-R389 PolarHBondContact O-N 2.63Å
388	T	84.8	Confident	72.5	Confident	41 Å²	41	97.3 Å²	97.3	25%	0.252	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-62	130.7	175.2	57.8	0	0	0	0	110.7	V72 V365 S386	V72-T388 HydrophobicContact CG1-CG2 4.24Å; V365-T388 HydrophobicContact CG1-CG2 4.22Å; V365-T388 HydrophobicContact CG2-CG2 4.27Å; S386-T388 PolarHBondContact O-N 3.32Å
389	R	90.1	Very high	75.6	Confident	149 Å²	149	89.9 Å²	89.9	56%	0.562	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-103.6	163.3	-179.9	-63.8	179.1	179.2	-176.9	-2.9	110.6	K387 K391 H392 K393	K387-R389 PolarHBondContact O-N 2.63Å; R389-K391 PolarHBondContact O-N 2.96Å; R389-H392 PolarHBondContact N-ND1 3.33Å; R389-H392 WeakPolarHBondContact O-CB 3.23Å; R389-H392 PolarHBondContact O-N 2.58Å; R389-K393 PolarHBondContact O-N 3.24Å
390	F	91.9	Very high	78.2	Confident	158 Å²	158	84.6 Å²	84.6	69%	0.693	44%	0.443	S	S	*	.	H	α-helix	trans	-55.1	-39.5	175.9	-177.4	-105.7	0	0	0	112.7	H392 K393 L394	F390-H392 VanDerWaalsContact C-N 3.29Å; F390-H392 PolarHBondContact O-N 3.14Å; F390-K393 WeakPolarHBondContact O-CB 3.24Å; F390-K393 PolarHBondContact O-N 3.23Å; F390-K393 VanDerWaalsContact O-N 3.17Å; F390-L394 PolarHBondContact O-N 2.81Å
391	K	91.1	Very high	81.1	Confident	169 Å²	169	84.9 Å²	84.9	74%	0.735	44%	0.437	S	S	*	.	H	α-helix	trans	-58.3	-37.2	176.5	-65.4	-173.2	178.5	-175.4	0	113.4	R389 L394 A395	R389-K391 PolarHBondContact O-N 2.96Å; K391-L394 PolarHBondContact O-N 3.06Å; K391-A395 WeakPolarHBondContact O-CB 3.31Å; K391-A395 PolarHBondContact O-N 3.41Å
392	H	93.6	Very high	83.8	Confident	9 Å²	9	78.7 Å²	78.7	4%	0.042	40%	0.396	C	S	.	.	H	α-helix	trans	-68.6	-40.5	178.4	-55	157.8	0	0	0	111.2	V72 N76 V365 R389 F390 L394 A395 T396	V72-H392 HydrophobicContact CG1-CB 3.93Å; N76-H392 PolarHBondContact ND2-O 3.49Å; V365-H392 HydrophobicContact CG2-CB 4.42Å; V365-H392 WeakPolarHBondContact CG2-ND1 3.23Å; R389-H392 PolarHBondContact N-ND1 3.33Å; R389-H392 WeakPolarHBondContact O-CB 3.23Å; R389-H392 PolarHBondContact O-N 2.58Å; F390-H392 VanDerWaalsContact C-N 3.29Å; F390-H392 PolarHBondContact O-N 3.14Å; H392-L394 VanDerWaalsContact C-N 3.35Å; H392-A395 PolarHBondContact O-N 2.99Å; H392-T396 PolarHBondContact O-N 3.3Å; H392-T396 PolarHBondContact O-OG1 3.5Å
393	K	94.9	Very high	86.2	Confident	93 Å²	93	76.6 Å²	76.6	40%	0.404	37%	0.373	S	S	.	.	H	α-helix	trans	-62.7	-42.6	174.3	-62.8	-177.2	179	-176.9	0	111.3	W68 V72 R389 F390 T396 L397	W68-K393 HydrophobicContact CZ2-CB 4.35Å; V72-K393 HydrophobicContact CG1-CG 4.42Å; V72-K393 HydrophobicContact CG2-CG 4.34Å; R389-K393 PolarHBondContact O-N 3.24Å; F390-K393 WeakPolarHBondContact O-CB 3.24Å; F390-K393 PolarHBondContact O-N 3.23Å; F390-K393 VanDerWaalsContact O-N 3.17Å; K393-T396 PolarHBondContact O-N 2.64Å; K393-L397 WeakPolarHBondContact O-CB 3.39Å; K393-L397 PolarHBondContact O-N 3.5Å
394	L	95.5	Very high	88.4	Confident	96 Å²	96	76 Å²	76	50%	0.503	37%	0.374	S	S	.	.	H	α-helix	trans	-65.4	-42.4	177.9	-175.7	62.6	0	0	0	112.1	F390 K391 H392 L397 F398	F390-L394 PolarHBondContact O-N 2.81Å; K391-L394 PolarHBondContact O-N 3.06Å; H392-L394 VanDerWaalsContact C-N 3.35Å; L394-L397 PolarHBondContact O-N 3.25Å; L394-F398 WeakPolarHBondContact O-CB 3.27Å; L394-F398 PolarHBondContact O-N 2.91Å
395	A	94.7	Very high	90.6	Very high	17 Å²	17	71 Å²	71	14%	0.14	35%	0.353	C	S	.	.	H	α-helix	trans	-62.4	-42.9	176.5	0	0	0	0	0	112.2	W218 K391 H392 F398 T399	W218-A395 HydrophobicContact CZ2-CB 4.31Å; K391-A395 WeakPolarHBondContact O-CB 3.31Å; K391-A395 PolarHBondContact O-N 3.41Å; H392-A395 PolarHBondContact O-N 2.99Å; A395-F398 PolarHBondContact O-N 3.36Å; A395-T399 PolarHBondContact O-N 3.29Å; A395-T399 PolarHBondContact O-OG1 3.44Å
396	T	95.7	Very high	92.3	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-62.9	-45.9	173.9	-65.6	0	0	0	0	112	W68 L71 V72 L75 N76 H392 K393 F398 T399 I400	W68-T396 HydrophobicContact CH2-CG2 3.75Å; W68-T396 HydrophobicContact CZ2-CG2 4.32Å; W68-T396 HydrophobicContact CZ3-CG2 3.95Å; L71-T396 HydrophobicContact CD2-CG2 4.37Å; L71-T396 HydrophobicContact CG-CG2 4.16Å; V72-T396 HydrophobicContact CG2-CG2 3.88Å; L75-T396 HydrophobicContact CD1-CG2 3.63Å; N76-T396 PolarHBondContact ND2-OG1 2.97Å; N76-T396 VanDerWaalsContact ND2-OG1 3.15Å; H392-T396 PolarHBondContact O-N 3.3Å; H392-T396 PolarHBondContact O-OG1 3.5Å; K393-T396 PolarHBondContact O-N 2.64Å; T396-F398 VanDerWaalsContact C-N 3.35Å; T396-F398 PolarHBondContact O-N 2.87Å; T396-T399 PolarHBondContact O-N 3.28Å; T396-I400 HydrophobicContact CG2-CD1 3.97Å; T396-I400 WeakPolarHBondContact O-CG1 3.1Å; T396-I400 PolarHBondContact O-N 3.39Å
397	L	96.7	Very high	93.3	Very high	76 Å²	76	71.6 Å²	71.6	40%	0.398	34%	0.342	S	S	.	.	H	α-helix	trans	-59.9	-45.8	176	-179.8	62.4	0	0	0	111.3	W68 K393 L394 T399 I400 L401	W68-L397 HydrophobicContact CH2-CB 4.15Å; K393-L397 WeakPolarHBondContact O-CB 3.39Å; K393-L397 PolarHBondContact O-N 3.5Å; L394-L397 PolarHBondContact O-N 3.25Å; L397-T399 VanDerWaalsContact C-N 3.31Å; L397-T399 PolarHBondContact O-N 3.17Å; L397-I400 PolarHBondContact O-N 3.42Å; L397-L401 HydrophobicContact CD1-CD1 4.11Å; L397-L401 HydrophobicContact CD1-CG 4.14Å; L397-L401 HydrophobicContact CG-CD1 3.91Å; L397-L401 HydrophobicContact CG-CG 4.35Å; L397-L401 WeakPolarHBondContact O-CB 3.38Å; L397-L401 VanDerWaalsContact O-CG 3.32Å; L397-L401 WeakPolarHBondContact O-CG 3.09Å; L397-L401 PolarHBondContact O-N 3.05Å
398	F	96.4	Very high	94	Very high	50 Å²	50	67.2 Å²	67.2	22%	0.219	32%	0.323	C	S	.	.	H	α-helix	trans	-57.3	-44.2	175.1	169.7	-107.8	0	0	0	111.7	F189 F193 L222 L394 A395 T396 I400 L401 Y402	F189-F398 HydrophobicContact CE1-CE2 4.11Å; F189-F398 HydrophobicContact CE1-CZ 4.06Å; F193-F398 HydrophobicContact CD2-CZ 4.22Å; L222-F398 HydrophobicContact CD1-CD1 4.09Å; L222-F398 HydrophobicContact CD1-CE1 3.54Å; L222-F398 HydrophobicContact CD1-CZ 4.49Å; L394-F398 WeakPolarHBondContact O-CB 3.27Å; L394-F398 PolarHBondContact O-N 2.91Å; A395-F398 PolarHBondContact O-N 3.36Å; T396-F398 VanDerWaalsContact C-N 3.35Å; T396-F398 PolarHBondContact O-N 2.87Å; F398-I400 PolarHBondContact O-N 2.87Å; F398-L401 PolarHBondContact O-N 3.44Å; F398-Y402 HydrophobicContact CZ-CD2 4.39Å; F398-Y402 VanDerWaalsContact O-CB 3.25Å; F398-Y402 WeakPolarHBondContact O-CB 3.44Å; F398-Y402 PolarHBondContact O-N 2.99Å
399	T	96.9	Very high	94.2	Very high	2 Å²	2	66.2 Å²	66.2	1%	0.012	32%	0.316	C	S	.	.	H	α-helix	trans	-61.3	-46	178.3	-58.5	0	0	0	0	111.3	L75 T221 L222 A395 T396 L397 Y402 L403	L75-T399 HydrophobicContact CD1-CG2 4.45Å; T221-T399 HydrophobicContact CG2-CG2 4.4Å; L222-T399 HydrophobicContact CD2-CG2 3.99Å; L222-T399 HydrophobicContact CG-CG2 4.18Å; A395-T399 PolarHBondContact O-N 3.29Å; A395-T399 PolarHBondContact O-OG1 3.44Å; T396-T399 PolarHBondContact O-N 3.28Å; L397-T399 VanDerWaalsContact C-N 3.31Å; L397-T399 PolarHBondContact O-N 3.17Å; T399-Y402 PolarHBondContact O-N 2.99Å; T399-L403 HydrophobicContact CG2-CD1 4.18Å; T399-L403 HydrophobicContact CG2-CD2 4.45Å; T399-L403 WeakPolarHBondContact O-CB 3.45Å; T399-L403 VanDerWaalsContact O-CD1 3.3Å; T399-L403 WeakPolarHBondContact O-CD1 3.28Å; T399-L403 PolarHBondContact O-N 3.18Å
400	I	96.8	Very high	94.1	Very high	64 Å²	64	59.1 Å²	59.1	33%	0.328	29%	0.29	S	S	.	.	H	α-helix	trans	-64.2	-46.4	179.3	-65.3	163.2	0	0	0	111.2	W68 L71 T396 L397 F398 Y402 L403 A404	W68-I400 HydrophobicContact CH2-CD1 4.22Å; W68-I400 HydrophobicContact CZ3-CD1 3.6Å; L71-I400 HydrophobicContact CD2-CD1 3.75Å; T396-I400 HydrophobicContact CG2-CD1 3.97Å; T396-I400 WeakPolarHBondContact O-CG1 3.1Å; T396-I400 PolarHBondContact O-N 3.39Å; L397-I400 PolarHBondContact O-N 3.42Å; F398-I400 PolarHBondContact O-N 2.87Å; I400-Y402 VanDerWaalsContact C-N 3.34Å; I400-Y402 PolarHBondContact O-N 3.11Å; I400-L403 PolarHBondContact O-N 3.2Å; I400-A404 WeakPolarHBondContact O-CB 3.22Å; I400-A404 PolarHBondContact O-N 2.9Å
401	L	96.9	Very high	93.9	Very high	104 Å²	104	56.8 Å²	56.8	55%	0.545	28%	0.277	S	S	.	.	H	α-helix	trans	-62	-42.9	179	-70.8	175.3	0	0	0	111.4	L397 F398 A404 E405	L397-L401 HydrophobicContact CD1-CD1 4.11Å; L397-L401 HydrophobicContact CD1-CG 4.14Å; L397-L401 HydrophobicContact CG-CD1 3.91Å; L397-L401 HydrophobicContact CG-CG 4.35Å; L397-L401 WeakPolarHBondContact O-CB 3.38Å; L397-L401 VanDerWaalsContact O-CG 3.32Å; L397-L401 WeakPolarHBondContact O-CG 3.09Å; L397-L401 PolarHBondContact O-N 3.05Å; F398-L401 PolarHBondContact O-N 3.44Å; L401-A404 PolarHBondContact O-N 3.46Å; L401-E405 VanDerWaalsContact O-CB 3.24Å; L401-E405 WeakPolarHBondContact O-CB 3.47Å; L401-E405 PolarHBondContact O-N 2.86Å
402	Y	96.3	Very high	93.9	Very high	3 Å²	3	49.2 Å²	49.2	1%	0.012	25%	0.245	C	C	.	.	H	α-helix	trans	-63.4	-44.2	177.7	-172.6	-90	0	0	0	112.1	Q190 L222 Q226 F398 T399 I400 E405 Q406	Q190-Y402 HydrophobicContact CG-CE2 4.5Å; Q190-Y402 PolarHBondContact NE2-OH 3.28Å; L222-Y402 HydrophobicContact CD2-CD1 3.46Å; L222-Y402 VanDerWaalsContact CD2-CD1 3.46Å; L222-Y402 HydrophobicContact CD2-CE1 4.28Å; L222-Y402 HydrophobicContact CD2-CG 3.88Å; Q226-Y402 PolarHBondContact OE1-OH 3.4Å; F398-Y402 HydrophobicContact CZ-CD2 4.39Å; F398-Y402 VanDerWaalsContact O-CB 3.25Å; F398-Y402 WeakPolarHBondContact O-CB 3.44Å; F398-Y402 PolarHBondContact O-N 2.99Å; T399-Y402 PolarHBondContact O-N 2.99Å; I400-Y402 VanDerWaalsContact C-N 3.34Å; I400-Y402 PolarHBondContact O-N 3.11Å; Y402-E405 PolarHBondContact O-N 3.19Å; Y402-Q406 HydrophobicContact CD1-CG 3.92Å; Y402-Q406 HydrophobicContact CE1-CG 3.42Å; Y402-Q406 VanDerWaalsContact CE1-CG 3.42Å; Y402-Q406 HydrophobicContact CE2-CG 4.31Å; Y402-Q406 WeakPolarHBondContact O-CG 3.37Å; Y402-Q406 PolarHBondContact O-N 3.44Å
403	L	95.8	Very high	93.6	Very high	41 Å²	41	49.5 Å²	49.5	22%	0.215	25%	0.247	C	C	.	.	H	α-helix	trans	-60.3	-46.7	175.8	-93.4	50.8	0	0	0	111.2	L222 F225 T399 I400 Q406 F407	L222-L403 HydrophobicContact CD2-CD1 3.69Å; F225-L403 HydrophobicContact CB-CD1 4.27Å; F225-L403 HydrophobicContact CD1-CD1 3.48Å; F225-L403 VanDerWaalsContact CD1-CD1 3.48Å; F225-L403 HydrophobicContact CD1-CG 3.69Å; F225-L403 HydrophobicContact CD2-CG 4.13Å; F225-L403 HydrophobicContact CE1-CB 4.18Å; F225-L403 HydrophobicContact CE1-CD1 3.93Å; F225-L403 HydrophobicContact CE1-CG 3.74Å; F225-L403 HydrophobicContact CE2-CG 4.18Å; F225-L403 HydrophobicContact CG-CD1 3.84Å; F225-L403 HydrophobicContact CG-CG 3.88Å; F225-L403 HydrophobicContact CZ-CB 4.31Å; F225-L403 HydrophobicContact CZ-CG 3.99Å; T399-L403 HydrophobicContact CG2-CD1 4.18Å; T399-L403 HydrophobicContact CG2-CD2 4.45Å; T399-L403 WeakPolarHBondContact O-CB 3.45Å; T399-L403 VanDerWaalsContact O-CD1 3.3Å; T399-L403 WeakPolarHBondContact O-CD1 3.28Å; T399-L403 PolarHBondContact O-N 3.18Å; I400-L403 PolarHBondContact O-N 3.2Å; L403-Q406 PolarHBondContact O-N 2.93Å; L403-F407 VanDerWaalsContact O-CD2 3.27Å; L403-F407 WeakPolarHBondContact O-CD2 3.26Å; L403-F407 PolarHBondContact O-N 3.44Å; L403-F407 VanDerWaalsContact O-N 3.14Å
404	A	96	Very high	93.4	Very high	56 Å²	56	51 Å²	51	46%	0.463	25%	0.253	S	S	.	.	H	α-helix	trans	-63.3	-43.3	178.1	0	0	0	0	0	112	I400 L401 F407 F408	I400-A404 WeakPolarHBondContact O-CB 3.22Å; I400-A404 PolarHBondContact O-N 2.9Å; L401-A404 PolarHBondContact O-N 3.46Å; A404-F407 PolarHBondContact O-N 3.01Å; A404-F408 WeakPolarHBondContact O-CB 3.32Å; A404-F408 PolarHBondContact O-N 2.91Å
405	E	94.3	Very high	93.2	Very high	89 Å²	89	49.9 Å²	49.9	42%	0.416	25%	0.247	S	C	.	.	H	α-helix	trans	-58.3	-54.4	175.4	176.3	-173.5	-172.6	0	0	110.6	L401 Y402 F407 F408 L409	L401-E405 VanDerWaalsContact O-CB 3.24Å; L401-E405 WeakPolarHBondContact O-CB 3.47Å; L401-E405 PolarHBondContact O-N 2.86Å; Y402-E405 PolarHBondContact O-N 3.19Å; E405-F407 PolarHBondContact O-N 3.41Å; E405-F408 PolarHBondContact O-N 3.29Å; E405-L409 HydrophobicContact CG-CD1 3.38Å; E405-L409 HydrophobicContact CG-CD2 4.36Å; E405-L409 HydrophobicContact CG-CG 3.72Å; E405-L409 WeakPolarHBondContact O-CB 3.27Å; E405-L409 WeakPolarHBondContact O-CG 3.36Å; E405-L409 PolarHBondContact O-N 3.06Å
406	Q	92.6	Very high	93	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.009	25%	0.25	C	S	.	.	H	α-helix	trans	-64.2	-26.7	-177.3	-69.1	-61.1	-58.7	0	0	113.6	F225 I229 Y402 L403 P410	F225-Q406 HydrophobicContact CE1-CB 3.9Å; I229-Q406 HydrophobicContact CD1-CB 4.04Å; I229-Q406 WeakPolarHBondContact CD1-O 3.39Å; Y402-Q406 HydrophobicContact CD1-CG 3.92Å; Y402-Q406 HydrophobicContact CE1-CG 3.42Å; Y402-Q406 VanDerWaalsContact CE1-CG 3.42Å; Y402-Q406 HydrophobicContact CE2-CG 4.31Å; Y402-Q406 WeakPolarHBondContact O-CG 3.37Å; Y402-Q406 PolarHBondContact O-N 3.44Å; L403-Q406 PolarHBondContact O-N 2.93Å; Q406-P410 WeakPolarHBondContact O-CD 3.28Å; Q406-P410 WeakPolarHBondContact O-CG 3.3Å
407	F	91.1	Very high	92.8	Very high	95 Å²	95	53.8 Å²	53.8	42%	0.417	27%	0.265	S	S	.	.	H	α-helix	trans	-73.5	-36.9	169.1	-86.5	-61.3	0	0	0	113.1	F225 I229 L403 A404 E405 Y411	F225-F407 HydrophobicContact CE2-CD2 4.13Å; F225-F407 AromaticContact CE2-CE2 3.33Å; F225-F407 HydrophobicContact CE2-CE2 3.33Å; F225-F407 AromaticContact CE2-CZ 3.57Å; F225-F407 HydrophobicContact CE2-CZ 3.57Å; F225-F407 AromaticContact CZ-CD2 3.64Å; F225-F407 HydrophobicContact CZ-CD2 3.64Å; F225-F407 AromaticContact CZ-CE2 3.33Å; F225-F407 HydrophobicContact CZ-CE2 3.33Å; F225-F407 HydrophobicContact CZ-CG 4.36Å; F225-F407 AromaticContact CZ-CZ 3.81Å; F225-F407 HydrophobicContact CZ-CZ 3.81Å; I229-F407 HydrophobicContact CD1-CD1 3.87Å; I229-F407 HydrophobicContact CD1-CE1 4.13Å; I229-F407 HydrophobicContact CD1-CG 4.2Å; L403-F407 VanDerWaalsContact O-CD2 3.27Å; L403-F407 WeakPolarHBondContact O-CD2 3.26Å; L403-F407 PolarHBondContact O-N 3.44Å; L403-F407 VanDerWaalsContact O-N 3.14Å; A404-F407 PolarHBondContact O-N 3.01Å; E405-F407 PolarHBondContact O-N 3.41Å; F407-Y411 WeakPolarHBondContact O-CD2 3.48Å
408	F	91.6	Very high	92.5	Very high	97 Å²	97	50.2 Å²	50.2	43%	0.425	25%	0.246	S	C	.	.	H	α-helix	trans	-76.1	-44.4	-176.5	173.8	-106.2	0	0	0	112.7	A404 E405 Y411 S412 F414 I415	A404-F408 WeakPolarHBondContact O-CB 3.32Å; A404-F408 PolarHBondContact O-N 2.91Å; E405-F408 PolarHBondContact O-N 3.29Å; F408-Y411 PolarHBondContact O-N 3.4Å; F408-S412 PolarHBondContact O-N 3.41Å; F408-F414 HydrophobicContact CE2-CE1 4.06Å; F408-F414 AromaticContact CE2-CZ 3.86Å; F408-F414 HydrophobicContact CE2-CZ 3.86Å; F408-F414 HydrophobicContact CZ-CE1 4.21Å; F408-F414 AromaticContact CZ-CZ 3.83Å; F408-F414 HydrophobicContact CZ-CZ 3.83Å; F408-I415 HydrophobicContact CE1-CD1 4.23Å; F408-I415 HydrophobicContact CZ-CD1 3.88Å
409	L	89.3	Confident	92.2	Very high	20 Å²	20	49.1 Å²	49.1	11%	0.105	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-56.5	-43.1	-170	-75.6	177.9	0	0	0	114.8	E405 Y411 S412 Y429	E405-L409 HydrophobicContact CG-CD1 3.38Å; E405-L409 HydrophobicContact CG-CD2 4.36Å; E405-L409 HydrophobicContact CG-CG 3.72Å; E405-L409 WeakPolarHBondContact O-CB 3.27Å; E405-L409 WeakPolarHBondContact O-CG 3.36Å; E405-L409 PolarHBondContact O-N 3.06Å; L409-Y411 PolarHBondContact O-N 3.05Å; L409-S412 WeakPolarHBondContact O-CB 3.49Å; L409-S412 PolarHBondContact O-N 2.93Å; L409-S412 VanDerWaalsContact O-N 3.11Å; L409-S412 PolarHBondContact O-OG 3.06Å; L409-Y429 HydrophobicContact CB-CD1 4.43Å; L409-Y429 HydrophobicContact CB-CE1 3.5Å; L409-Y429 VanDerWaalsContact CB-CE1 3.5Å; L409-Y429 HydrophobicContact CD1-CE1 4.09Å; L409-Y429 HydrophobicContact CD1-CE2 4.21Å; L409-Y429 VanDerWaalsContact CD1-CZ 3.46Å; L409-Y429 WeakPolarHBondContact CD1-OH 3.46Å; L409-Y429 HydrophobicContact CD2-CE1 3.83Å; L409-Y429 WeakPolarHBondContact CD2-OH 3.19Å; L409-Y429 HydrophobicContact CG-CE1 3.94Å; L409-Y429 WeakPolarHBondContact CG-OH 3.37Å
410	P	88.3	Confident	91.9	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-62.2	-12.4	176.6	-24.5	36	0	0	0	115	I233 Q406 H413	I233-P410 HydrophobicContact CG2-CB 4.12Å; Q406-P410 WeakPolarHBondContact O-CD 3.28Å; Q406-P410 WeakPolarHBondContact O-CG 3.3Å; P410-H413 PolarHBondContact O-NE2 2.76Å
411	Y	87.7	Confident	91.5	Very high	109 Å²	109	47.9 Å²	47.9	43%	0.427	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-116.1	3.2	179	-59.3	-80.8	0	0	0	113	I233 F407 F408 L409 H413 F414	I233-Y411 HydrophobicContact CD1-CE2 4.11Å; F407-Y411 WeakPolarHBondContact O-CD2 3.48Å; F408-Y411 PolarHBondContact O-N 3.4Å; L409-Y411 PolarHBondContact O-N 3.05Å; Y411-H413 PolarHBondContact O-N 3.26Å; Y411-F414 VanDerWaalsContact O-CD1 3.28Å; Y411-F414 WeakPolarHBondContact O-CD1 3.41Å
412	S	90.1	Very high	91.2	Very high	10 Å²	10	44.4 Å²	44.4	7%	0.07	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-73.3	6.7	-175.6	66.1	0	0	0	0	114.9	F408 L409 F414 I415	F408-S412 PolarHBondContact O-N 3.41Å; L409-S412 WeakPolarHBondContact O-CB 3.49Å; L409-S412 PolarHBondContact O-N 2.93Å; L409-S412 VanDerWaalsContact O-N 3.11Å; L409-S412 PolarHBondContact O-OG 3.06Å; S412-F414 PolarHBondContact O-N 3.12Å; S412-I415 WeakPolarHBondContact O-CB 3.39Å; S412-I415 PolarHBondContact O-N 3.45Å
413	H	88.5	Confident	90.7	Very high	16 Å²	16	45.2 Å²	45.2	7%	0.074	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-63.3	-17	-173	-52.8	-29.9	0	0	0	114.4	P410 Y411 I415 N420 N424 G425	P410-H413 PolarHBondContact O-NE2 2.76Å; Y411-H413 PolarHBondContact O-N 3.26Å; H413-I415 PolarHBondContact O-N 2.84Å; H413-N420 PolarHBondContact O-ND2 2.97Å; H413-N420 VanDerWaalsContact O-ND2 3.14Å; H413-N424 HydrophobicContact CB-CB 4.24Å; H413-G425 WeakPolarHBondContact CE1-CA 3.46Å; H413-G425 WeakPolarHBondContact ND1-CA 3.02Å
414	F	90.4	Very high	90.1	Very high	124 Å²	124	48.2 Å²	48.2	54%	0.544	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-68.9	-20.7	171.6	66.3	-90.5	0	0	0	112.9	F408 Y411 S412 Q417	F408-F414 HydrophobicContact CE2-CE1 4.06Å; F408-F414 AromaticContact CE2-CZ 3.86Å; F408-F414 HydrophobicContact CE2-CZ 3.86Å; F408-F414 HydrophobicContact CZ-CE1 4.21Å; F408-F414 AromaticContact CZ-CZ 3.83Å; F408-F414 HydrophobicContact CZ-CZ 3.83Å; Y411-F414 VanDerWaalsContact O-CD1 3.28Å; Y411-F414 WeakPolarHBondContact O-CD1 3.41Å; S412-F414 PolarHBondContact O-N 3.12Å; F414-Q417 VanDerWaalsContact O-CG 3.26Å; F414-Q417 WeakPolarHBondContact O-CG 3.5Å; F414-Q417 PolarHBondContact O-NE2 3.32Å; F414-Q417 VanDerWaalsContact O-NE2 3.14Å
415	I	91.6	Very high	89.3	Confident	73 Å²	73	45.8 Å²	45.8	37%	0.374	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-47.7	174.3	-59.3	174.1	0	0	0	109.5	F408 S412 H413 Q417 F528	F408-I415 HydrophobicContact CE1-CD1 4.23Å; F408-I415 HydrophobicContact CZ-CD1 3.88Å; S412-I415 WeakPolarHBondContact O-CB 3.39Å; S412-I415 PolarHBondContact O-N 3.45Å; H413-I415 PolarHBondContact O-N 2.84Å; I415-Q417 VanDerWaalsContact C-N 3.34Å; I415-Q417 PolarHBondContact O-N 3.38Å; I415-F528 HydrophobicContact CG2-CD1 4.21Å; I415-F528 HydrophobicContact CG2-CE1 4.29Å; I415-F528 WeakPolarHBondContact O-CD1 3.45Å
416	T	90.2	Very high	88.2	Confident	33 Å²	33	43.3 Å²	43.3	20%	0.202	21%	0.206	C	C	.	.			trans	-98.1	50.2	-171.1	64.5	0	0	0	0	112.2	G418 Y419 P527	T416-G418 PolarHBondContact O-N 3.46Å; T416-G418 VanDerWaalsContact O-N 3.11Å; T416-Y419 PolarHBondContact O-N 2.91Å; T416-Y419 VanDerWaalsContact O-N 3.14Å; T416-P527 CarbonylContact C-O 3.55Å; T416-P527 WeakPolarHBondContact CA-O 3.45Å
417	Q	91.6	Very high	87	Confident	66 Å²	66	47.3 Å²	47.3	31%	0.308	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-60.1	-25.1	-170.1	-61.4	-177.9	-16.7	0	0	114.1	F414 I415 Y419 N420 P527 R529 P530	F414-Q417 VanDerWaalsContact O-CG 3.26Å; F414-Q417 WeakPolarHBondContact O-CG 3.5Å; F414-Q417 PolarHBondContact O-NE2 3.32Å; F414-Q417 VanDerWaalsContact O-NE2 3.14Å; I415-Q417 VanDerWaalsContact C-N 3.34Å; I415-Q417 PolarHBondContact O-N 3.38Å; Q417-Y419 PolarHBondContact O-N 3.24Å; Q417-N420 WeakPolarHBondContact O-CB 3.43Å; Q417-N420 PolarHBondContact O-N 3.48Å; Q417-N420 VanDerWaalsContact O-N 3.14Å; Q417-P527 PolarHBondContact N-O 3.49Å; Q417-R529 CarbonylContact C-O 3.55Å; Q417-P530 HydrophobicContact CB-CG 4.29Å; Q417-P530 VanDerWaalsContact OE1-CG 3.3Å
418	G	90.1	Very high	85.6	Confident	0 Å²	0	43 Å²	43	0%	0	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-69.9	-17.6	179.8	0	0	0	0	0	114.8	T416 W525 S526 P527 R529	T416-G418 PolarHBondContact O-N 3.46Å; T416-G418 VanDerWaalsContact O-N 3.11Å; G418-W525 PolarHBondContact O-NE1 3.2Å; G418-S526 WeakPolarHBondContact CA-O 3.44Å; G418-P527 PolarHBondContact N-O 3.47Å; G418-R529 WeakPolarHBondContact CA-O 3.42Å; G418-R529 PolarHBondContact N-O 3.35Å
419	Y	90.2	Very high	84.7	Confident	27 Å²	27	41 Å²	41	11%	0.106	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-93.3	-9.9	174	-60.7	-76.4	0	0	0	112.8	T416 Q417 N421 L426 D474 W525 P527	T416-Y419 PolarHBondContact O-N 2.91Å; T416-Y419 VanDerWaalsContact O-N 3.14Å; Q417-Y419 PolarHBondContact O-N 3.24Å; Y419-N421 PolarHBondContact O-N 3.38Å; Y419-N421 PolarHBondContact O-ND2 2.94Å; Y419-L426 HydrophobicContact CD1-CD1 3.35Å; Y419-L426 HydrophobicContact CD2-CD1 4.17Å; Y419-L426 HydrophobicContact CE1-CD1 3.66Å; Y419-L426 HydrophobicContact CE2-CD1 4.4Å; Y419-L426 HydrophobicContact CG-CB 4.48Å; Y419-L426 HydrophobicContact CG-CD1 3.62Å; Y419-D474 HydrophobicContact CD1-CB 4.05Å; Y419-D474 HydrophobicContact CE1-CB 4.07Å; Y419-D474 WeakPolarHBondContact CE1-OD2 3.37Å; Y419-W525 HydrophobicContact CD1-CZ2 4.18Å; Y419-W525 AromaticContact CE1-CH2 3.92Å; Y419-W525 HydrophobicContact CE1-CH2 3.92Å; Y419-W525 AromaticContact CE1-CZ2 3.96Å; Y419-W525 HydrophobicContact CE1-CZ2 3.96Å; Y419-W525 AromaticContact CZ-CH2 3.92Å; Y419-P527 HydrophobicContact CE2-CB 3.82Å
420	N	90.3	Very high	84.2	Confident	27 Å²	27	40.1 Å²	40.1	14%	0.144	19%	0.19	C	C	.	.			trans	-68.4	129.9	173.9	-59.9	-11.2	0	0	0	108.4	H413 Q417 G425	H413-N420 PolarHBondContact O-ND2 2.97Å; H413-N420 VanDerWaalsContact O-ND2 3.14Å; Q417-N420 WeakPolarHBondContact O-CB 3.43Å; Q417-N420 PolarHBondContact O-N 3.48Å; Q417-N420 VanDerWaalsContact O-N 3.14Å; N420-G425 WeakPolarHBondContact OD1-CA 3.48Å; N420-G425 PolarHBondContact OD1-N 3.49Å
421	N	89.6	Confident	84.1	Confident	13 Å²	13	40.2 Å²	40.2	7%	0.07	19%	0.19	C	C	.	.	S	Bend	trans	-118	-140.7	170.4	-64.9	-85.5	0	0	0	107.1	Y419 T423 H472 G473 L534	Y419-N421 PolarHBondContact O-N 3.38Å; Y419-N421 PolarHBondContact O-ND2 2.94Å; N421-T423 PolarHBondContact N-O 3.45Å; N421-T423 PolarHBondContact O-N 2.95Å; N421-H472 PolarHBondContact ND2-ND1 3.18Å; N421-G473 PolarHBondContact OD1-N 3.34Å; N421-L534 HydrophobicContact CB-CD1 4.39Å
422	W	90.9	Very high	83.6	Confident	31 Å²	31	36.6 Å²	36.6	12%	0.117	18%	0.178	C	C	.	.	S	Bend	trans	-61.2	-21.8	167.6	-67.2	-13.3	0	0	0	113.4	V503 I505 Q511 I513 M535 L537	W422-V503 HydrophobicContact CH2-CB 3.97Å; W422-V503 WeakPolarHBondContact CH2-O 3.31Å; W422-V503 HydrophobicContact CZ3-CB 3.83Å; W422-V503 HydrophobicContact CZ3-CG1 3.89Å; W422-I505 HydrophobicContact CE3-CB 4.2Å; W422-I505 HydrophobicContact CE3-CG2 3.8Å; W422-I505 HydrophobicContact CZ3-CB 4.37Å; W422-I505 HydrophobicContact CZ3-CG2 4.05Å; W422-Q511 HydrophobicContact CH2-CG 3.39Å; W422-Q511 HydrophobicContact CZ2-CG 3.53Å; W422-Q511 HydrophobicContact CZ3-CG 4.47Å; W422-I513 HydrophobicContact CD2-CD1 4.36Å; W422-I513 HydrophobicContact CD2-CG1 4.37Å; W422-I513 HydrophobicContact CH2-CB 4.09Å; W422-I513 HydrophobicContact CZ2-CB 3.77Å; W422-I513 HydrophobicContact CZ2-CG1 4.1Å; W422-M535 PolarHBondContact NE1-O 2.87Å; W422-L537 HydrophobicContact CB-CB 4.4Å; W422-L537 HydrophobicContact CB-CD2 4.46Å; W422-L537 HydrophobicContact CD2-CB 4.24Å; W422-L537 HydrophobicContact CD2-CD1 3.75Å; W422-L537 HydrophobicContact CE3-CD1 3.78Å; W422-L537 HydrophobicContact CG-CB 3.93Å; W422-L537 HydrophobicContact CG-CD1 4.22Å; W422-L537 HydrophobicContact CG-CG 4.5Å; W422-L537 HydrophobicContact CH2-CD1 4.41Å; W422-L537 HydrophobicContact CZ2-CD1 4.37Å; W422-L537 HydrophobicContact CZ3-CD1 4.12Å
423	T	85.6	Confident	82.9	Confident	21 Å²	21	37.5 Å²	37.5	13%	0.129	18%	0.182	C	C	.	.	S	Bend	trans	-111.2	137.1	170.8	57.3	0	0	0	0	109.2	N421 H436 R438 I505	N421-T423 PolarHBondContact N-O 3.45Å; N421-T423 PolarHBondContact O-N 2.95Å; T423-H436 VanDerWaalsContact CG2-CE1 3.45Å; T423-H436 WeakPolarHBondContact CG2-CE1 3.39Å; T423-R438 PolarHBondContact OG1-NH2 2.91Å; T423-R438 VanDerWaalsContact OG1-NH2 3.12Å; T423-I505 HydrophobicContact CG2-CD1 4.16Å
424	N	83.3	Confident	82.2	Confident	103 Å²	103	40.2 Å²	40.2	55%	0.551	20%	0.195	S	C	*	.			trans	-72.6	139.9	179.3	-71.1	-42.2	0	0	0	111.6	H413	H413-N424 HydrophobicContact CB-CB 4.24Å
425	G	77.5	Confident	81.6	Confident	6 Å²	6	34.5 Å²	34.5	6%	0.062	17%	0.171	C	C	.	.	S	Bend	trans	99.7	163.6	168.9	0	0	0	0	0	117	H413 N420 Y427	H413-G425 WeakPolarHBondContact CE1-CA 3.46Å; H413-G425 WeakPolarHBondContact ND1-CA 3.02Å; N420-G425 WeakPolarHBondContact OD1-CA 3.48Å; N420-G425 PolarHBondContact OD1-N 3.49Å; G425-Y427 PolarHBondContact O-N 3.49Å
426	L	72.7	Confident	81.2	Confident	36 Å²	36	33.9 Å²	33.9	19%	0.188	17%	0.166	C	C	.	.	S	Bend	trans	-67.3	121.5	171.2	-174.3	66.6	0	0	0	109	W177 Y419 G428 Y429	W177-L426 HydrophobicContact CH2-CD2 4.48Å; W177-L426 HydrophobicContact CZ3-CD1 4.15Å; W177-L426 HydrophobicContact CZ3-CD2 3.79Å; W177-L426 HydrophobicContact CZ3-CG 3.99Å; Y419-L426 HydrophobicContact CD1-CD1 3.35Å; Y419-L426 HydrophobicContact CD2-CD1 4.17Å; Y419-L426 HydrophobicContact CE1-CD1 3.66Å; Y419-L426 HydrophobicContact CE2-CD1 4.4Å; Y419-L426 HydrophobicContact CG-CB 4.48Å; Y419-L426 HydrophobicContact CG-CD1 3.62Å; L426-G428 PolarHBondContact O-N 3.43Å; L426-Y429 PolarHBondContact O-N 2.94Å
427	Y	67.3	Low	80.9	Confident	86 Å²	86	34.3 Å²	34.3	34%	0.337	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	125.6	-177.6	-177.5	-97.2	0	0	0	111.7	W177 G425	W177-Y427 WeakPolarHBondContact O-CE1 3.37Å; G425-Y427 PolarHBondContact O-N 3.49Å
428	G	61.4	Low	80.8	Confident	5 Å²	5	33.7 Å²	33.7	5%	0.052	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.6	7.6	176.1	0	0	0	0	0	116.3	N179 Y182 L426	N179-G428 WeakPolarHBondContact CA-O 3.31Å; N179-G428 WeakPolarHBondContact OD1-CA 3.49Å; N179-G428 PolarHBondContact OD1-O 2.92Å; Y182-G428 WeakPolarHBondContact CB-O 3.48Å; L426-G428 PolarHBondContact O-N 3.43Å
429	Y	73.1	Confident	80.7	Confident	54 Å²	54	36.1 Å²	36.1	21%	0.212	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-19.1	-178.8	-172.4	-106.6	0	0	0	114.5	Y182 L409 L426	Y182-Y429 HydrophobicContact CD1-CD2 4.1Å; Y182-Y429 HydrophobicContact CD2-CD2 4.19Å; Y182-Y429 AromaticContact CE1-CD2 3.53Å; Y182-Y429 HydrophobicContact CE1-CD2 3.53Å; Y182-Y429 AromaticContact CE1-CE2 3.86Å; Y182-Y429 HydrophobicContact CE1-CE2 3.86Å; Y182-Y429 HydrophobicContact CE1-CG 4.37Å; Y182-Y429 AromaticContact CE2-CD2 3.65Å; Y182-Y429 HydrophobicContact CE2-CD2 3.65Å; Y182-Y429 AromaticContact CE2-CE2 3.66Å; Y182-Y429 HydrophobicContact CE2-CE2 3.66Å; Y182-Y429 HydrophobicContact CG-CD2 4.42Å; Y182-Y429 AromaticContact CZ-CD2 3.31Å; Y182-Y429 AromaticContact CZ-CE2 3.23Å; Y182-Y429 WeakPolarHBondContact OH-CE2 3.46Å; L409-Y429 HydrophobicContact CB-CD1 4.43Å; L409-Y429 HydrophobicContact CB-CE1 3.5Å; L409-Y429 VanDerWaalsContact CB-CE1 3.5Å; L409-Y429 HydrophobicContact CD1-CE1 4.09Å; L409-Y429 HydrophobicContact CD1-CE2 4.21Å; L409-Y429 VanDerWaalsContact CD1-CZ 3.46Å; L409-Y429 WeakPolarHBondContact CD1-OH 3.46Å; L409-Y429 HydrophobicContact CD2-CE1 3.83Å; L409-Y429 WeakPolarHBondContact CD2-OH 3.19Å; L409-Y429 HydrophobicContact CG-CE1 3.94Å; L409-Y429 WeakPolarHBondContact CG-OH 3.37Å; L426-Y429 PolarHBondContact O-N 2.94Å
430	S	77.7	Confident	80.8	Confident	2 Å²	2	37.9 Å²	37.9	1%	0.014	19%	0.191	C	C	.	.	S	Bend	trans	-95.2	4.8	-172.3	46.8	0	0	0	0	114.7	D432	S430-D432 WeakPolarHBondContact CB-OD2 3.31Å; S430-D432 PolarHBondContact O-N 3.27Å; S430-D432 PolarHBondContact OG-OD2 2.99Å
431	W	86.3	Confident	80.5	Confident	2 Å²	2	40.3 Å²	40.3	1%	0.008	20%	0.202	C	C	.	.			trans	59.5	23.3	-172.9	-45.4	116.1	0	0	0	113.9	N179 Y182 L183 L186 V230 I233 M433	N179-W431 HydrophobicContact CB-CE3 4.15Å; N179-W431 HydrophobicContact CB-CZ3 4.47Å; N179-W431 WeakPolarHBondContact O-CZ3 3.26Å; N179-W431 WeakPolarHBondContact OD1-CA 3.36Å; N179-W431 PolarHBondContact OD1-N 3.26Å; N179-W431 VanDerWaalsContact OD1-N 3.16Å; Y182-W431 AromaticContact CD1-CH2 3.47Å; Y182-W431 HydrophobicContact CD1-CH2 3.47Å; Y182-W431 VanDerWaalsContact CD1-CH2 3.47Å; Y182-W431 AromaticContact CD1-CZ2 3.9Å; Y182-W431 HydrophobicContact CD1-CZ2 3.9Å; Y182-W431 AromaticContact CD1-CZ3 3.99Å; Y182-W431 HydrophobicContact CD1-CZ3 3.99Å; Y182-W431 AromaticContact CE1-CH2 3.75Å; Y182-W431 HydrophobicContact CE1-CH2 3.75Å; Y182-W431 AromaticContact CE1-CZ2 3.7Å; Y182-W431 HydrophobicContact CE1-CZ2 3.7Å; L183-W431 HydrophobicContact CB-CH2 4.16Å; L183-W431 HydrophobicContact CB-CZ3 4Å; L183-W431 HydrophobicContact CD1-CH2 4.28Å; L186-W431 HydrophobicContact CD1-CH2 3.87Å; L186-W431 HydrophobicContact CD1-CZ2 3.89Å; V230-W431 HydrophobicContact CG1-CE3 4.41Å; V230-W431 HydrophobicContact CG2-CD2 4.04Å; V230-W431 HydrophobicContact CG2-CE3 3.79Å; V230-W431 HydrophobicContact CG2-CH2 4.01Å; V230-W431 HydrophobicContact CG2-CZ2 4.25Å; V230-W431 HydrophobicContact CG2-CZ3 3.78Å; I233-W431 HydrophobicContact CB-CB 4.11Å; I233-W431 HydrophobicContact CB-CG 4.4Å; I233-W431 HydrophobicContact CG2-CB 3.92Å; I233-W431 HydrophobicContact CG2-CG 4.4Å; W431-M433 VanDerWaalsContact C-N 3.34Å; W431-M433 PolarHBondContact O-N 3.34Å
432	D	76.6	Confident	80.4	Confident	33 Å²	33	41.9 Å²	41.9	18%	0.176	21%	0.209	C	C	.	.			trans	-73.6	85.5	174.8	-63.8	-29.1	0	0	0	109.5	N179 K237 S430	N179-D432 PolarHBondContact ND2-O 3.28Å; K237-D432 WeakPolarHBondContact CD-OD1 3.17Å; K237-D432 WeakPolarHBondContact CE-OD1 3.41Å; K237-D432 WeakPolarHBondContact CG-OD1 3.1Å; K237-D432 IonicContact NZ-OD1 3.18Å; K237-D432 PolarHBondContact NZ-OD1 3.18Å; K237-D432 IonicContact NZ-OD2 3.85Å; K237-D432 PolarHBondContact NZ-OD2 3.1Å; S430-D432 WeakPolarHBondContact CB-OD2 3.31Å; S430-D432 PolarHBondContact O-N 3.27Å; S430-D432 PolarHBondContact OG-OD2 2.99Å
433	M	75	Confident	80.5	Confident	30 Å²	30	41.9 Å²	41.9	15%	0.148	21%	0.212	C	C	.	.			trans	-96.6	109.4	-176.7	-64.8	-164.9	-68.9	0	0	111.7	N179 V230 A234 K238 F319 W431 V435	N179-M433 HydrophobicContact CB-CG 4.16Å; V230-M433 HydrophobicContact CG1-CE 3.73Å; V230-M433 HydrophobicContact CG1-SD 4.34Å; A234-M433 HydrophobicContact CB-CE 3.46Å; A234-M433 VanDerWaalsContact CB-CE 3.46Å; K238-M433 PolarHBondContact NZ-O 3.41Å; F319-M433 HydrophobicContact CE1-SD 4.19Å; F319-M433 HydrophobicContact CZ-CE 4.4Å; F319-M433 HydrophobicContact CZ-SD 3.77Å; W431-M433 VanDerWaalsContact C-N 3.34Å; W431-M433 PolarHBondContact O-N 3.34Å; M433-V435 PolarHBondContact O-N 3.37Å
434	M	74.6	Confident	80.9	Confident	73 Å²	73	42.8 Å²	42.8	36%	0.36	21%	0.214	S	C	.	.	S	Bend	trans	60.4	32.3	171.4	-65.2	-61	-159.8	0	0	116	W243 M249 F314 I316	W243-M434 VanDerWaalsContact CZ3-O 3.32Å; W243-M434 WeakPolarHBondContact CZ3-O 3.37Å; M249-M434 HydrophobicContact CE-CB 4.36Å; M249-M434 HydrophobicContact CE-SD 3.79Å; F314-M434 HydrophobicContact CD1-CE 3.97Å; F314-M434 HydrophobicContact CE1-CE 4.34Å; F314-M434 HydrophobicContact CG-CE 4.27Å; I316-M434 HydrophobicContact CD1-CE 3.55Å; I316-M434 HydrophobicContact CG1-CE 3.9Å
435	V	77.4	Confident	81.5	Confident	4 Å²	4	38 Å²	38	2%	0.024	19%	0.188	C	C	.	.			trans	-84.7	-21.1	178.7	-176.1	0	0	0	0	113.1	K237 K238 D240 S248 M433 N506	K237-V435 HydrophobicContact CB-CG2 4.5Å; K238-V435 HydrophobicContact CG-CG2 4.34Å; D240-V435 HydrophobicContact CB-CG1 4.44Å; S248-V435 PolarHBondContact OG-O 3.34Å; S248-V435 VanDerWaalsContact OG-O 3.11Å; M433-V435 PolarHBondContact O-N 3.37Å; V435-N506 PolarHBondContact O-ND2 2.83Å
436	H	83	Confident	82.4	Confident	59 Å²	59	39 Å²	39	27%	0.273	19%	0.193	S	C	.	.			trans	-126.4	123.2	-172.6	-49.9	100.8	0	0	0	110.9	T423 I505 N506	T423-H436 VanDerWaalsContact CG2-CE1 3.45Å; T423-H436 WeakPolarHBondContact CG2-CE1 3.39Å; H436-I505 HydrophobicContact CB-CD1 4.08Å; H436-I505 HydrophobicContact CB-CG1 4.29Å; H436-N506 WeakPolarHBondContact CA-OD1 3.32Å
437	S	85.2	Confident	83.5	Confident	42 Å²	42	39.6 Å²	39.6	29%	0.294	19%	0.193	S	C	.	.			trans	-97.6	138.8	163.3	-175.6	0	0	0	0	109.3	I505 N506	S437-I505 WeakPolarHBondContact O-CA 3.38Å; S437-N506 PolarHBondContact N-OD1 2.93Å; S437-N506 PolarHBondContact O-N 2.92Å
438	R	88.3	Confident	84.9	Confident	53 Å²	53	39.5 Å²	39.5	20%	0.2	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	134.5	178.7	-66.9	-178.7	-177.3	138.9	2.2	110.2	T423 D471 V503 S504 I505	T423-R438 PolarHBondContact OG1-NH2 2.91Å; T423-R438 VanDerWaalsContact OG1-NH2 3.12Å; R438-D471 IonicContact NH1-OD2 3.74Å; R438-V503 HydrophobicContact CB-CG1 4.19Å; R438-V503 HydrophobicContact CG-CG1 4.36Å; R438-S504 VanDerWaalsContact CA-O 3.27Å; R438-S504 WeakPolarHBondContact CA-O 3.36Å; R438-I505 HydrophobicContact CG-CB 4.43Å; R438-I505 HydrophobicContact CG-CD1 4.49Å; R438-I505 HydrophobicContact CG-CG1 4.2Å
439	S	89	Confident	86.5	Confident	52 Å²	52	39.4 Å²	39.4	36%	0.364	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	142	172.7	65.2	0	0	0	0	110.3	V503 S504 Q510	S439-V503 WeakPolarHBondContact O-CA 3.21Å; S439-S504 PolarHBondContact N-O 2.77Å; S439-S504 PolarHBondContact O-N 3.21Å; S439-Q510 PolarHBondContact OG-NE2 3.49Å
440	H	91.1	Very high	87.4	Confident	64 Å²	64	38.8 Å²	38.8	30%	0.296	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	112.8	-174	-57.3	58.7	0	0	0	108.7	V443 D471 W502	H440-V443 HydrophobicContact CB-CG2 4.42Å; H440-D471 IonicContact CD2-OD1 2.62Å; H440-D471 IonicContact CE1-OD1 2.72Å; H440-D471 PolarHBondContact CE1-OD1 2.86Å; H440-D471 VanDerWaalsContact CE1-OD1 3.29Å; H440-D471 IonicContact CE1-OD2 2.73Å; H440-D471 IonicContact NE2-OD1 3.04Å; H440-D471 PolarHBondContact NE2-OD1 3.17Å; H440-D471 IonicContact NE2-OD2 3.55Å; H440-W502 WeakPolarHBondContact CA-O 3.45Å
441	Q	84.7	Confident	88.1	Confident	77 Å²	77	46.1 Å²	46.1	36%	0.36	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	-43.5	177.2	-171.1	-170.2	10.6	0	0	111.8	W502 Q510 V562	Q441-W502 PolarHBondContact N-O 3.29Å; Q441-Q510 HydrophobicContact CB-CG 4.33Å; Q441-V562 HydrophobicContact CG-CG1 4.39Å
442	H	87.8	Confident	88.5	Confident	47 Å²	47	50 Å²	50	22%	0.218	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	131.2	-170.9	-174.1	82.1	0	0	0	111.4	K444 I501 W502	H442-K444 WeakPolarHBondContact NE2-CB 3.26Å; H442-I501 WeakPolarHBondContact O-CA 3.3Å; H442-W502 HydrophobicContact CB-CB 4.14Å; H442-W502 HydrophobicContact CB-CG 4.08Å; H442-W502 AromaticContact CD2-CD1 3.67Å; H442-W502 AromaticContact CD2-NE1 3.99Å; H442-W502 PolarHBondContact O-N 2.91Å
443	V	93.2	Very high	89.3	Confident	30 Å²	30	50.4 Å²	50.4	18%	0.182	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	102.7	176.4	-173	0	0	0	0	108.1	H440 P460 W469 K470 D500 I501	H440-V443 HydrophobicContact CB-CG2 4.42Å; V443-P460 HydrophobicContact CB-CG 4.04Å; V443-P460 HydrophobicContact CG1-CB 3.89Å; V443-P460 HydrophobicContact CG1-CG 3.74Å; V443-P460 VanDerWaalsContact O-CG 3.25Å; V443-P460 WeakPolarHBondContact O-CG 3.28Å; V443-W469 HydrophobicContact CG1-CH2 3.98Å; V443-K470 HydrophobicContact CG1-CD 4.29Å; V443-K470 HydrophobicContact CG1-CG 4.35Å; V443-K470 HydrophobicContact CG2-CD 3.91Å; V443-D500 WeakPolarHBondContact CA-O 3.37Å; V443-I501 HydrophobicContact CG1-CD1 4.49Å; V443-I501 HydrophobicContact CG1-CG1 4.24Å; V443-I501 HydrophobicContact CG2-CG2 4.33Å
444	K	93.8	Very high	90.2	Very high	41 Å²	41	53.7 Å²	53.7	18%	0.178	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	128.4	179.8	176.3	176.3	-177.4	177.8	0	109.6	H442 Y457 D500 E573	H442-K444 WeakPolarHBondContact NE2-CB 3.26Å; K444-Y457 HydrophobicContact CD-CE1 4.28Å; K444-Y457 HydrophobicContact CG-CD1 4.21Å; K444-Y457 HydrophobicContact CG-CE1 4.41Å; K444-Y457 PolarHBondContact NZ-OH 2.99Å; K444-D500 HydrophobicContact CB-CB 4.31Å; K444-D500 PolarHBondContact N-O 2.89Å; K444-D500 PolarHBondContact O-N 3.16Å; K444-E573 IonicContact NZ-OE2 3.84Å; K444-E573 PolarHBondContact NZ-OE2 3.04Å
445	I	95.9	Very high	91.1	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	119.5	173	-53.7	-178.8	0	0	0	107.1	Y457 L458 P460 W469 Y479 L483 I497 F499	I445-Y457 WeakPolarHBondContact O-CA 3.49Å; I445-L458 HydrophobicContact CB-CB 4.12Å; I445-L458 HydrophobicContact CG2-CB 4.1Å; I445-L458 HydrophobicContact CG2-CD1 4.1Å; I445-L458 HydrophobicContact CG2-CG 4.46Å; I445-L458 PolarHBondContact O-N 3.24Å; I445-P460 HydrophobicContact CD1-CB 4.2Å; I445-P460 HydrophobicContact CD1-CG 4.49Å; I445-P460 HydrophobicContact CG1-CG 4.45Å; I445-W469 HydrophobicContact CD1-CH2 3.8Å; I445-W469 HydrophobicContact CD1-CZ2 4.29Å; I445-W469 HydrophobicContact CG1-CH2 4.33Å; I445-Y479 HydrophobicContact CD1-CD1 4.46Å; I445-Y479 HydrophobicContact CD1-CE1 3.7Å; I445-L483 HydrophobicContact CG2-CD1 4.39Å; I445-I497 HydrophobicContact CG2-CG2 3.78Å; I445-F499 HydrophobicContact CD1-CD1 4.25Å; I445-F499 HydrophobicContact CD1-CE1 3.76Å; I445-F499 HydrophobicContact CG1-CD1 3.84Å; I445-F499 HydrophobicContact CG1-CE1 3.84Å; I445-F499 HydrophobicContact CG2-CD1 4.46Å; I445-F499 HydrophobicContact CG2-CE1 4.13Å; I445-F499 HydrophobicContact CG2-CZ 4.44Å
446	T	95.7	Very high	91.9	Very high	27 Å²	27	54.7 Å²	54.7	17%	0.166	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	131.7	177.4	-52.6	0	0	0	0	108.5	V455 G456 Y457 I497 Y498	T446-V455 HydrophobicContact CG2-CG1 3.55Å; T446-G456 CarbonylContact C-O 3.51Å; T446-G456 WeakPolarHBondContact CA-O 3.45Å; T446-Y457 HydrophobicContact CG2-CD1 4.26Å; T446-Y457 HydrophobicContact CG2-CE1 3.97Å; T446-Y457 WeakPolarHBondContact OG1-CE1 3.31Å; T446-I497 WeakPolarHBondContact O-CA 3.46Å; T446-Y498 PolarHBondContact N-O 3.14Å; T446-Y498 PolarHBondContact O-N 3.37Å
447	Y	96.1	Very high	92.4	Very high	50 Å²	50	58.3 Å²	58.3	20%	0.196	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	150	167.5	73.9	-91.2	0	0	0	110.2	V455 G456 L458 I492 E496	Y447-V455 WeakPolarHBondContact O-CA 3.31Å; Y447-G456 VanDerWaalsContact CD1-C 3.43Å; Y447-G456 WeakPolarHBondContact CD1-O 3.25Å; Y447-G456 VanDerWaalsContact CE1-CA 3.4Å; Y447-G456 PolarHBondContact N-O 3.32Å; Y447-G456 PolarHBondContact O-N 2.87Å; Y447-L458 HydrophobicContact CD1-CD1 4.4Å; Y447-L458 HydrophobicContact CD1-CD2 3.95Å; Y447-L458 HydrophobicContact CD1-CG 3.89Å; Y447-L458 HydrophobicContact CE1-CD2 4.11Å; Y447-L458 HydrophobicContact CE1-CG 4.49Å; Y447-I492 HydrophobicContact CD2-CD1 3.77Å; Y447-I492 HydrophobicContact CD2-CG1 4.23Å; Y447-I492 HydrophobicContact CD2-CG2 4.13Å; Y447-I492 HydrophobicContact CE1-CD1 4.21Å; Y447-I492 HydrophobicContact CE2-CD1 3.45Å; Y447-I492 VanDerWaalsContact CE2-CD1 3.45Å; Y447-I492 HydrophobicContact CE2-CG1 3.82Å; Y447-I492 HydrophobicContact CE2-CG2 4.48Å; Y447-I492 HydrophobicContact CG-CD1 4.29Å; Y447-E496 CarbonylContact C-O 3.59Å; Y447-E496 VanDerWaalsContact CA-O 3.24Å; Y447-E496 WeakPolarHBondContact CA-O 3.29Å
448	K	96.5	Very high	92.8	Very high	83 Å²	83	57.9 Å²	57.9	36%	0.361	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	126.1	169.1	179.9	-177.6	178.7	-171.3	0	108.6	G450 D454 V455 E496 Y498	K448-G450 PolarHBondContact O-N 3.43Å; K448-D454 CarbonylContact C-O 3.27Å; K448-D454 VanDerWaalsContact CA-O 3.27Å; K448-D454 WeakPolarHBondContact CA-O 3.24Å; K448-V455 HydrophobicContact CB-CG2 4.26Å; K448-V455 HydrophobicContact CD-CG2 4.46Å; K448-V455 HydrophobicContact CG-CG2 4.04Å; K448-E496 HydrophobicContact CB-CB 4.33Å; K448-E496 PolarHBondContact N-O 2.98Å; K448-E496 WeakPolarHBondContact O-CB 3.3Å; K448-E496 PolarHBondContact O-N 3.41Å; K448-Y498 HydrophobicContact CB-CE2 4.26Å
449	D	95.4	Very high	92.9	Very high	4 Å²	4	60.7 Å²	60.7	2%	0.021	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	119.6	172.2	-167.3	-19.7	0	0	0	109.3	K451 T452 G453 D454 I492 S493 D494	D449-K451 PolarHBondContact O-N 3.27Å; D449-K451 PolarHBondContact OD1-N 3.06Å; D449-T452 WeakPolarHBondContact CB-OG1 3.48Å; D449-G453 VanDerWaalsContact O-CA 3.22Å; D449-G453 WeakPolarHBondContact O-CA 3.37Å; D449-G453 PolarHBondContact O-N 2.88Å; D449-D454 PolarHBondContact N-O 3.44Å; D449-I492 HydrophobicContact CB-CG2 4.14Å; D449-S493 PolarHBondContact OD2-N 2.98Å; D449-D494 PolarHBondContact OD1-N 3.33Å; D449-D494 VanDerWaalsContact OD1-N 3.08Å
450	G	92.5	Very high	93	Very high	41 Å²	41	59.5 Å²	59.5	42%	0.423	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-20.3	176.6	0	0	0	0	0	113.8	K448 D494	K448-G450 PolarHBondContact O-N 3.43Å; G450-D494 PolarHBondContact N-O 2.76Å
451	K	92.8	Very high	92.8	Very high	155 Å²	155	58.4 Å²	58.4	67%	0.674	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-50.6	177.6	-65.9	-167.7	-172.9	172.7	0	113.7	D449 D494	D449-K451 PolarHBondContact O-N 3.27Å; D449-K451 PolarHBondContact OD1-N 3.06Å; K451-D494 HydrophobicContact CG-CB 4.24Å
452	T	93.8	Very high	92.8	Very high	85 Å²	85	58.5 Å²	58.5	52%	0.521	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-24.5	-175.6	66	0	0	0	0	112.4	D449 D454	D449-T452 WeakPolarHBondContact CB-OG1 3.48Å; T452-D454 VanDerWaalsContact CB-OD2 3.23Å; T452-D454 WeakPolarHBondContact CB-OD2 3.18Å; T452-D454 WeakPolarHBondContact OG1-CB 3.48Å; T452-D454 PolarHBondContact OG1-N 3.2Å; T452-D454 PolarHBondContact OG1-OD2 3.03Å
453	G	93.4	Very high	93	Very high	40 Å²	40	57.1 Å²	57.1	41%	0.412	32%	0.322	S	S	.	.			trans	80.3	0.9	-171.1	0	0	0	0	0	113.7	D449	D449-G453 VanDerWaalsContact O-CA 3.22Å; D449-G453 WeakPolarHBondContact O-CA 3.37Å; D449-G453 PolarHBondContact O-N 2.88Å
454	D	93.9	Very high	92.8	Very high	100 Å²	100	56.1 Å²	56.1	54%	0.535	32%	0.316	S	S	.	.			trans	-64.1	135.1	-179.3	-64.1	-38.5	0	0	0	110.6	K448 D449 T452	K448-D454 CarbonylContact C-O 3.27Å; K448-D454 VanDerWaalsContact CA-O 3.27Å; K448-D454 WeakPolarHBondContact CA-O 3.24Å; D449-D454 PolarHBondContact N-O 3.44Å; T452-D454 VanDerWaalsContact CB-OD2 3.23Å; T452-D454 WeakPolarHBondContact CB-OD2 3.18Å; T452-D454 WeakPolarHBondContact OG1-CB 3.48Å; T452-D454 PolarHBondContact OG1-N 3.2Å; T452-D454 PolarHBondContact OG1-OD2 3.03Å
455	V	94.5	Very high	92.4	Very high	88 Å²	88	61.6 Å²	61.6	53%	0.533	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	135.3	178.6	-178.9	0	0	0	0	108.9	T446 Y447 K448	T446-V455 HydrophobicContact CG2-CG1 3.55Å; Y447-V455 WeakPolarHBondContact O-CA 3.31Å; K448-V455 HydrophobicContact CB-CG2 4.26Å; K448-V455 HydrophobicContact CD-CG2 4.46Å; K448-V455 HydrophobicContact CG-CG2 4.04Å
456	G	93.9	Very high	92	Very high	10 Å²	10	62.7 Å²	62.7	10%	0.103	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	179.4	174.7	0	0	0	0	0	112.9	T446 Y447	T446-G456 CarbonylContact C-O 3.51Å; T446-G456 WeakPolarHBondContact CA-O 3.45Å; Y447-G456 VanDerWaalsContact CD1-C 3.43Å; Y447-G456 WeakPolarHBondContact CD1-O 3.25Å; Y447-G456 VanDerWaalsContact CE1-CA 3.4Å; Y447-G456 PolarHBondContact N-O 3.32Å; Y447-G456 PolarHBondContact O-N 2.87Å
457	Y	93.6	Very high	91.7	Very high	135 Å²	135	70.8 Å²	70.8	53%	0.529	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	145.3	-175	-57.1	-65.3	0	0	0	111.4	K444 I445 T446	K444-Y457 HydrophobicContact CD-CE1 4.28Å; K444-Y457 HydrophobicContact CG-CD1 4.21Å; K444-Y457 HydrophobicContact CG-CE1 4.41Å; K444-Y457 PolarHBondContact NZ-OH 2.99Å; I445-Y457 WeakPolarHBondContact O-CA 3.49Å; T446-Y457 HydrophobicContact CG2-CD1 4.26Å; T446-Y457 HydrophobicContact CG2-CE1 3.97Å; T446-Y457 WeakPolarHBondContact OG1-CE1 3.31Å
458	L	93.1	Very high	91.4	Very high	32 Å²	32	72.1 Å²	72.1	17%	0.168	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	139.2	175.3	-58.8	174.2	0	0	0	110.1	I445 Y447 P460 L483 L487	I445-L458 HydrophobicContact CB-CB 4.12Å; I445-L458 HydrophobicContact CG2-CB 4.1Å; I445-L458 HydrophobicContact CG2-CD1 4.1Å; I445-L458 HydrophobicContact CG2-CG 4.46Å; I445-L458 PolarHBondContact O-N 3.24Å; Y447-L458 HydrophobicContact CD1-CD1 4.4Å; Y447-L458 HydrophobicContact CD1-CD2 3.95Å; Y447-L458 HydrophobicContact CD1-CG 3.89Å; Y447-L458 HydrophobicContact CE1-CD2 4.11Å; Y447-L458 HydrophobicContact CE1-CG 4.49Å; L458-P460 WeakPolarHBondContact O-CD 3.43Å; L458-L483 HydrophobicContact CD1-CD1 4.27Å; L458-L483 HydrophobicContact CD1-CD2 4.41Å; L458-L487 HydrophobicContact CD1-CD1 4.14Å; L458-L487 HydrophobicContact CD1-CD2 4.03Å; L458-L487 HydrophobicContact CD2-CD2 4.09Å
459	N	91.1	Very high	91.1	Very high	113 Å²	113	68.2 Å²	68.2	60%	0.604	37%	0.365	S	S	*	.			trans	-65.5	125.2	168.4	-178.1	-31.8	0	0	0	109	G461 V462	N459-G461 PolarHBondContact O-N 2.59Å; N459-G461 VanDerWaalsContact O-N 3.07Å; N459-G461 PolarHBondContact OD1-N 2.99Å; N459-V462 HydrophobicContact CB-CB 4.32Å; N459-V462 WeakPolarHBondContact O-CB 3.22Å; N459-V462 VanDerWaalsContact O-CG1 3.27Å; N459-V462 WeakPolarHBondContact O-CG1 3.46Å; N459-V462 PolarHBondContact O-N 3.29Å; N459-V462 VanDerWaalsContact O-N 3.11Å
460	P	90.1	Very high	91	Very high	27 Å²	27	69.3 Å²	69.3	18%	0.175	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-29.5	-177.2	-27.1	34.4	0	0	0	115.5	V443 I445 L458 W469 Y479	V443-P460 HydrophobicContact CB-CG 4.04Å; V443-P460 HydrophobicContact CG1-CB 3.89Å; V443-P460 HydrophobicContact CG1-CG 3.74Å; V443-P460 VanDerWaalsContact O-CG 3.25Å; V443-P460 WeakPolarHBondContact O-CG 3.28Å; I445-P460 HydrophobicContact CD1-CB 4.2Å; I445-P460 HydrophobicContact CD1-CG 4.49Å; I445-P460 HydrophobicContact CG1-CG 4.45Å; L458-P460 WeakPolarHBondContact O-CD 3.43Å; P460-W469 HydrophobicContact CB-CH2 4.28Å; P460-W469 HydrophobicContact CB-CZ2 3.89Å; P460-Y479 PolarHBondContact O-OH 3.48Å
461	G	86.6	Confident	91	Very high	40 Å²	40	68.2 Å²	68.2	41%	0.412	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	2.6	-177.7	0	0	0	0	0	115.5	N459 F463 T464	N459-G461 PolarHBondContact O-N 2.59Å; N459-G461 VanDerWaalsContact O-N 3.07Å; N459-G461 PolarHBondContact OD1-N 2.99Å; G461-F463 PolarHBondContact O-N 3.1Å; G461-T464 VanDerWaalsContact O-O 3.12Å
462	V	86.4	Confident	90.9	Very high	80 Å²	80	61.3 Å²	61.3	49%	0.485	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-33.3	-166.9	72.4	0	0	0	0	114.1	N459	N459-V462 HydrophobicContact CB-CB 4.32Å; N459-V462 WeakPolarHBondContact O-CB 3.22Å; N459-V462 VanDerWaalsContact O-CG1 3.27Å; N459-V462 WeakPolarHBondContact O-CG1 3.46Å; N459-V462 PolarHBondContact O-N 3.29Å; N459-V462 VanDerWaalsContact O-N 3.11Å
463	F	90.1	Very high	90.9	Very high	17 Å²	17	57.2 Å²	57.2	8%	0.075	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.7	12.7	-179.3	-61.7	-65.3	0	0	0	113.7	P117 V118 C119 G461 Y479 L483 Y490	P117-F463 HydrophobicContact CB-CD1 4.44Å; P117-F463 HydrophobicContact CB-CE1 4.48Å; P117-F463 HydrophobicContact CG-CD1 4.39Å; P117-F463 HydrophobicContact CG-CE1 4.29Å; P117-F463 WeakPolarHBondContact O-CD1 3.31Å; V118-F463 CarbonylContact C-O 3.51Å; V118-F463 WeakPolarHBondContact CA-O 3.38Å; C119-F463 HydrophobicContact CB-CB 4.46Å; C119-F463 WeakPolarHBondContact CB-O 3.15Å; C119-F463 PolarHBondContact N-O 3.24Å; G461-F463 PolarHBondContact O-N 3.1Å; F463-Y479 HydrophobicContact CB-CE2 4.17Å; F463-L483 HydrophobicContact CD2-CD2 3.34Å; F463-L483 HydrophobicContact CE2-CD2 3.94Å; F463-L483 HydrophobicContact CG-CD2 4.32Å; F463-Y490 HydrophobicContact CE1-CE2 4.34Å; F463-Y490 AromaticContact CZ-CE2 3.79Å; F463-Y490 HydrophobicContact CZ-CE2 3.79Å
464	T	90.1	Very high	90.9	Very high	9 Å²	9	55.6 Å²	55.6	6%	0.055	28%	0.281	C	S	.	.			trans	-151.9	138.3	178.8	170.2	0	0	0	0	111.4	F121 G461 S466 Y479	F121-T464 WeakPolarHBondContact CE2-OG1 3.39Å; G461-T464 VanDerWaalsContact O-O 3.12Å; T464-S466 PolarHBondContact OG1-N 3.02Å; T464-S466 VanDerWaalsContact OG1-N 3.09Å; T464-S466 PolarHBondContact OG1-O 2.86Å; T464-Y479 HydrophobicContact CG2-CD2 4.36Å; T464-Y479 HydrophobicContact CG2-CE1 4.32Å; T464-Y479 HydrophobicContact CG2-CE2 3.71Å
465	Q	85.1	Confident	90.9	Very high	156 Å²	156	51.2 Å²	51.2	73%	0.729	26%	0.257	S	S	*	.	S	Bend	trans	-81.5	-21.6	173.6	-62	-59.9	-28	0	0	112.7	L113	L113-Q465 HydrophobicContact CD1-CG 4.26Å
466	S	87.6	Confident	90.9	Very high	24 Å²	24	47 Å²	47	17%	0.168	23%	0.232	C	C	.	.			trans	-85.8	141.3	-179.6	-174	0	0	0	0	111.8	T175 T464 R468 W469	T175-S466 WeakPolarHBondContact CB-OG 3.36Å; T175-S466 WeakPolarHBondContact CG2-OG 3.33Å; T464-S466 PolarHBondContact OG1-N 3.02Å; T464-S466 VanDerWaalsContact OG1-N 3.09Å; T464-S466 PolarHBondContact OG1-O 2.86Å; S466-R468 PolarHBondContact OG-N 3.28Å; S466-W469 PolarHBondContact O-NE1 3.26Å; S466-W469 VanDerWaalsContact O-NE1 3.14Å
467	R	89	Confident	91	Very high	198 Å²	198	48 Å²	48	75%	0.747	23%	0.234	S	C	*	.	S	Bend	trans	-93.8	-10.4	171.6	-61.6	180	-179.8	-172.8	0.8	113.1	W469 K470	R467-W469 VanDerWaalsContact C-N 3.31Å; R467-W469 PolarHBondContact O-N 3.23Å; R467-K470 VanDerWaalsContact O-CD 3.3Å; R467-K470 WeakPolarHBondContact O-CD 3.28Å; R467-K470 VanDerWaalsContact O-CG 3.25Å; R467-K470 WeakPolarHBondContact O-CG 3.03Å; R467-K470 PolarHBondContact O-N 2.99Å
468	R	89.1	Confident	91	Very high	77 Å²	77	43.7 Å²	43.7	29%	0.291	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-69.8	-21.5	-170.7	-71.2	-168.1	179.9	-179.9	-12.1	114.9	T175 W177 S466 K470 D471 H472	T175-R468 VanDerWaalsContact O-CD 3.25Å; T175-R468 WeakPolarHBondContact O-CD 3.42Å; T175-R468 VanDerWaalsContact O-CZ 3.3Å; T175-R468 PolarHBondContact O-NE 3.26Å; T175-R468 PolarHBondContact O-NH1 3.13Å; W177-R468 PolarHBondContact O-NH1 3.44Å; S466-R468 PolarHBondContact OG-N 3.28Å; R468-K470 PolarHBondContact O-N 3.2Å; R468-D471 PolarHBondContact O-N 3.43Å; R468-H472 PolarHBondContact O-CD2 3.3Å
469	W	92.2	Very high	91.1	Very high	1 Å²	1	42.1 Å²	42.1	0%	0.004	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-60.3	-21.2	-180	62.7	-97.6	0	0	0	113.2	F121 V443 I445 P460 S466 R467 D471 M475 L476 Y479 F499 I501	F121-W469 HydrophobicContact CD1-CB 4.33Å; F121-W469 HydrophobicContact CE1-CB 3.52Å; F121-W469 HydrophobicContact CE1-CG 4.25Å; F121-W469 HydrophobicContact CE2-CB 4.46Å; F121-W469 HydrophobicContact CZ-CB 3.59Å; F121-W469 AromaticContact CZ-CD1 3.87Å; F121-W469 AromaticContact CZ-CG 3.91Å; F121-W469 HydrophobicContact CZ-CG 3.91Å; V443-W469 HydrophobicContact CG1-CH2 3.98Å; I445-W469 HydrophobicContact CD1-CH2 3.8Å; I445-W469 HydrophobicContact CD1-CZ2 4.29Å; I445-W469 HydrophobicContact CG1-CH2 4.33Å; P460-W469 HydrophobicContact CB-CH2 4.28Å; P460-W469 HydrophobicContact CB-CZ2 3.89Å; S466-W469 PolarHBondContact O-NE1 3.26Å; S466-W469 VanDerWaalsContact O-NE1 3.14Å; R467-W469 VanDerWaalsContact C-N 3.31Å; R467-W469 PolarHBondContact O-N 3.23Å; W469-D471 PolarHBondContact O-N 2.93Å; W469-M475 HydrophobicContact CB-CB 3.83Å; W469-L476 HydrophobicContact CE3-CD1 4.28Å; W469-L476 HydrophobicContact CE3-CG 4.5Å; W469-L476 HydrophobicContact CZ3-CD1 4.16Å; W469-Y479 AromaticContact CD2-CD1 3.76Å; W469-Y479 HydrophobicContact CD2-CD1 3.76Å; W469-Y479 HydrophobicContact CD2-CE1 4.2Å; W469-Y479 HydrophobicContact CD2-CG 4.42Å; W469-Y479 AromaticContact CE2-CD1 3.84Å; W469-Y479 AromaticContact CE2-CE1 3.77Å; W469-Y479 AromaticContact CE3-CD1 3.76Å; W469-Y479 HydrophobicContact CE3-CD1 3.76Å; W469-Y479 HydrophobicContact CE3-CE1 4.41Å; W469-Y479 HydrophobicContact CG-CD1 4.43Å; W469-Y479 AromaticContact CH2-CD1 4Å; W469-Y479 HydrophobicContact CH2-CD1 4Å; W469-Y479 AromaticContact CH2-CE1 3.9Å; W469-Y479 HydrophobicContact CH2-CE1 3.9Å; W469-Y479 AromaticContact CZ2-CD1 3.96Å; W469-Y479 HydrophobicContact CZ2-CD1 3.96Å; W469-Y479 AromaticContact CZ2-CE1 3.62Å; W469-Y479 HydrophobicContact CZ2-CE1 3.62Å; W469-Y479 AromaticContact CZ3-CD1 3.89Å; W469-Y479 HydrophobicContact CZ3-CD1 3.89Å; W469-Y479 HydrophobicContact CZ3-CE1 4.28Å; W469-F499 HydrophobicContact CE3-CE1 4.46Å; W469-F499 HydrophobicContact CH2-CD1 4.2Å; W469-F499 HydrophobicContact CH2-CE1 4.06Å; W469-F499 AromaticContact CZ3-CD1 3.71Å; W469-F499 HydrophobicContact CZ3-CD1 3.71Å; W469-F499 AromaticContact CZ3-CE1 3.62Å; W469-F499 HydrophobicContact CZ3-CE1 3.62Å; W469-I501 HydrophobicContact CH2-CD1 4.47Å; W469-I501 HydrophobicContact CZ3-CD1 3.84Å
470	K	93	Very high	91.4	Very high	28 Å²	28	36.8 Å²	36.8	12%	0.122	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-66.8	-23	179.8	-58.1	169.4	-172.5	-175.2	0	113.7	V443 R467 R468 I501 F514	V443-K470 HydrophobicContact CG1-CD 4.29Å; V443-K470 HydrophobicContact CG1-CG 4.35Å; V443-K470 HydrophobicContact CG2-CD 3.91Å; R467-K470 VanDerWaalsContact O-CD 3.3Å; R467-K470 WeakPolarHBondContact O-CD 3.28Å; R467-K470 VanDerWaalsContact O-CG 3.25Å; R467-K470 WeakPolarHBondContact O-CG 3.03Å; R467-K470 PolarHBondContact O-N 2.99Å; R468-K470 PolarHBondContact O-N 3.2Å; K470-I501 HydrophobicContact CB-CD1 4.24Å; K470-I501 HydrophobicContact CB-CG2 4.23Å; K470-F514 WeakPolarHBondContact O-CE2 3.18Å
471	D	91.1	Very high	91.6	Very high	17 Å²	17	37.3 Å²	37.3	9%	0.091	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-102.6	-5.2	-173.3	-63.1	-34.1	0	0	0	113.6	R438 H440 R468 W469	R438-D471 IonicContact NH1-OD2 3.74Å; H440-D471 IonicContact CD2-OD1 2.62Å; H440-D471 IonicContact CE1-OD1 2.72Å; H440-D471 PolarHBondContact CE1-OD1 2.86Å; H440-D471 VanDerWaalsContact CE1-OD1 3.29Å; H440-D471 IonicContact CE1-OD2 2.73Å; H440-D471 IonicContact NE2-OD1 3.04Å; H440-D471 PolarHBondContact NE2-OD1 3.17Å; H440-D471 IonicContact NE2-OD2 3.55Å; R468-D471 PolarHBondContact O-N 3.43Å; W469-D471 PolarHBondContact O-N 2.93Å
472	H	92.1	Very high	92	Very high	10 Å²	10	36.2 Å²	36.2	5%	0.046	17%	0.17	C	C	.	.			trans	-134.1	113.1	-164.9	-67.8	-63.8	0	0	0	110.5	N421 R468 D474 M475 L476	N421-H472 PolarHBondContact ND2-ND1 3.18Å; R468-H472 PolarHBondContact O-CD2 3.3Å; H472-D474 VanDerWaalsContact C-N 3.28Å; H472-D474 WeakPolarHBondContact CB-OD1 3.4Å; H472-D474 PolarHBondContact O-N 2.93Å; H472-M475 HydrophobicContact CB-CB 4.11Å; H472-M475 HydrophobicContact CB-CE 4.22Å; H472-M475 HydrophobicContact CB-CG 3.98Å; H472-M475 HydrophobicContact CB-SD 4.27Å; H472-M475 PolarHBondContact O-N 3.23Å; H472-M475 VanDerWaalsContact O-N 3.11Å; H472-L476 WeakPolarHBondContact O-CB 3.31Å; H472-L476 PolarHBondContact O-N 2.97Å
473	G	93.1	Very high	92.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-58	-37.2	-176.1	0	0	0	0	0	113.9	N421 M475 L476 K477 W533	N421-G473 PolarHBondContact OD1-N 3.34Å; G473-M475 PolarHBondContact O-N 3.42Å; G473-L476 PolarHBondContact O-N 2.91Å; G473-K477 WeakPolarHBondContact O-CB 3.31Å; G473-K477 PolarHBondContact O-N 3.19Å; G473-W533 VanDerWaalsContact CA-CH2 3.49Å; G473-W533 VanDerWaalsContact O-CH2 3.24Å; G473-W533 WeakPolarHBondContact O-CH2 2.91Å
474	D	92.4	Very high	92.6	Very high	6 Å²	6	32.9 Å²	32.9	3%	0.032	15%	0.152	C	C	.	.	H	α-helix	trans	-64.6	-41.9	177.2	70	-53.9	0	0	0	112.4	K174 Y419 H472 Q478 W525	K174-D474 IonicContact NZ-OD2 2.8Å; K174-D474 PolarHBondContact NZ-OD2 3.39Å; Y419-D474 HydrophobicContact CD1-CB 4.05Å; Y419-D474 HydrophobicContact CE1-CB 4.07Å; Y419-D474 WeakPolarHBondContact CE1-OD2 3.37Å; H472-D474 VanDerWaalsContact C-N 3.28Å; H472-D474 WeakPolarHBondContact CB-OD1 3.4Å; H472-D474 PolarHBondContact O-N 2.93Å; D474-Q478 VanDerWaalsContact O-CG 3.32Å; D474-Q478 WeakPolarHBondContact O-CG 3.45Å; D474-Q478 PolarHBondContact O-N 2.77Å; D474-Q478 VanDerWaalsContact O-N 3.09Å; D474-W525 HydrophobicContact CB-CD2 4.39Å; D474-W525 VanDerWaalsContact CB-CE2 3.5Å; D474-W525 HydrophobicContact CB-CH2 3.83Å; D474-W525 HydrophobicContact CB-CZ2 3.2Å
475	M	93.9	Very high	92.8	Very high	7 Å²	7	40.8 Å²	40.8	3%	0.034	18%	0.181	C	C	.	.	H	α-helix	trans	-71	-39.5	175.9	-61.6	-168.6	-152.8	0	0	111.2	F121 K174 T175 W469 H472 G473 K477 Q478 Y479	F121-M475 HydrophobicContact CB-CG 4.46Å; F121-M475 HydrophobicContact CD1-CB 3.68Å; F121-M475 HydrophobicContact CD1-CG 4.12Å; F121-M475 HydrophobicContact CE1-CB 4.06Å; F121-M475 VanDerWaalsContact CE1-O 3.3Å; F121-M475 WeakPolarHBondContact CE1-O 3.36Å; K174-M475 HydrophobicContact CB-CE 3.7Å; K174-M475 HydrophobicContact CB-SD 4.47Å; T175-M475 HydrophobicContact CG2-SD 3.91Å; W469-M475 HydrophobicContact CB-CB 3.83Å; H472-M475 HydrophobicContact CB-CB 4.11Å; H472-M475 HydrophobicContact CB-CE 4.22Å; H472-M475 HydrophobicContact CB-CG 3.98Å; H472-M475 HydrophobicContact CB-SD 4.27Å; H472-M475 PolarHBondContact O-N 3.23Å; H472-M475 VanDerWaalsContact O-N 3.11Å; G473-M475 PolarHBondContact O-N 3.42Å; M475-K477 VanDerWaalsContact C-N 3.33Å; M475-K477 PolarHBondContact O-N 3.21Å; M475-Q478 CarbonylContact O-C 3.55Å; M475-Q478 WeakPolarHBondContact O-CB 3.27Å; M475-Q478 PolarHBondContact O-N 2.81Å; M475-Q478 VanDerWaalsContact O-N 3.15Å; M475-Y479 PolarHBondContact O-N 2.85Å
476	L	95.4	Very high	93.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62.3	-40.9	176.4	-173.6	139.6	0	0	0	111.6	W469 H472 G473 Y479 A480 F499 I501 F514 I520 W533	W469-L476 HydrophobicContact CE3-CD1 4.28Å; W469-L476 HydrophobicContact CE3-CG 4.5Å; W469-L476 HydrophobicContact CZ3-CD1 4.16Å; H472-L476 WeakPolarHBondContact O-CB 3.31Å; H472-L476 PolarHBondContact O-N 2.97Å; G473-L476 PolarHBondContact O-N 2.91Å; L476-Y479 PolarHBondContact O-N 3.45Å; L476-A480 WeakPolarHBondContact O-CB 3.27Å; L476-A480 PolarHBondContact O-N 2.69Å; L476-F499 HydrophobicContact CD1-CB 4.1Å; L476-F499 HydrophobicContact CD1-CD1 3.95Å; L476-F499 HydrophobicContact CD1-CD2 4.39Å; L476-F499 HydrophobicContact CD1-CE1 4.47Å; L476-F499 HydrophobicContact CD1-CG 3.89Å; L476-F499 HydrophobicContact CD2-CD2 3.87Å; L476-F499 HydrophobicContact CD2-CE2 4.11Å; L476-F499 HydrophobicContact CD2-CG 4.2Å; L476-F499 HydrophobicContact CG-CD1 4.33Å; L476-F499 HydrophobicContact CG-CD2 4.29Å; L476-F499 HydrophobicContact CG-CE1 4.43Å; L476-F499 HydrophobicContact CG-CE2 4.39Å; L476-F499 HydrophobicContact CG-CG 4.24Å; L476-F499 HydrophobicContact CG-CZ 4.45Å; L476-I501 HydrophobicContact CD1-CD1 3.5Å; L476-F514 HydrophobicContact CB-CE2 4.42Å; L476-F514 HydrophobicContact CD1-CD2 3.5Å; L476-F514 VanDerWaalsContact CD1-CD2 3.5Å; L476-F514 HydrophobicContact CD1-CE2 3.51Å; L476-F514 HydrophobicContact CD1-CG 4.39Å; L476-F514 HydrophobicContact CD1-CZ 4.41Å; L476-F514 HydrophobicContact CG-CE2 4.47Å; L476-I520 HydrophobicContact CD2-CB 4.15Å; L476-I520 HydrophobicContact CD2-CD1 4.09Å; L476-I520 HydrophobicContact CD2-CG1 3.74Å; L476-I520 HydrophobicContact CD2-CG2 3.48Å; L476-I520 VanDerWaalsContact CD2-CG2 3.48Å; L476-W533 HydrophobicContact CB-CH2 4.43Å; L476-W533 HydrophobicContact CD2-CH2 3.75Å; L476-W533 HydrophobicContact CD2-CZ3 3.65Å
477	K	95.3	Very high	93.4	Very high	32 Å²	32	34.5 Å²	34.5	14%	0.139	15%	0.149	C	C	.	.	H	α-helix	trans	-62.1	-42.3	171.9	179.1	66.5	-172.1	-170.8	0	112.2	G473 M475 Y479 T481 I520 V521 A523 W525 W533	G473-K477 WeakPolarHBondContact O-CB 3.31Å; G473-K477 PolarHBondContact O-N 3.19Å; M475-K477 VanDerWaalsContact C-N 3.33Å; M475-K477 PolarHBondContact O-N 3.21Å; K477-Y479 VanDerWaalsContact C-N 3.32Å; K477-T481 WeakPolarHBondContact O-CB 3.28Å; K477-T481 PolarHBondContact O-N 3.4Å; K477-T481 PolarHBondContact O-OG1 3.15Å; K477-I520 HydrophobicContact CD-CG2 4.16Å; K477-I520 VanDerWaalsContact CD-O 3.31Å; K477-I520 WeakPolarHBondContact CD-O 3.43Å; K477-I520 PolarHBondContact NZ-O 2.74Å; K477-V521 VanDerWaalsContact NZ-C 3.34Å; K477-V521 PolarHBondContact NZ-O 2.92Å; K477-A523 PolarHBondContact NZ-O 3.38Å; K477-W525 HydrophobicContact CB-CB 4.45Å; K477-W525 HydrophobicContact CD-CB 4.49Å; K477-W525 HydrophobicContact CG-CB 4.06Å; K477-W533 HydrophobicContact CB-CZ2 4.4Å
478	Q	94.7	Very high	93.7	Very high	43 Å²	43	28 Å²	28	20%	0.201	13%	0.132	C	C	.	.	H	α-helix	trans	-62.1	-41	174.8	-74.7	175.9	-15.2	0	0	111.4	F121 P122 K174 D474 M475 T481 C482	F121-Q478 VanDerWaalsContact CA-OE1 3.23Å; F121-Q478 HydrophobicContact CD1-CB 4.1Å; P122-Q478 PolarHBondContact O-NE2 3.33Å; K174-Q478 VanDerWaalsContact NZ-CD 3.28Å; D474-Q478 VanDerWaalsContact O-CG 3.32Å; D474-Q478 WeakPolarHBondContact O-CG 3.45Å; D474-Q478 PolarHBondContact O-N 2.77Å; D474-Q478 VanDerWaalsContact O-N 3.09Å; M475-Q478 CarbonylContact O-C 3.55Å; M475-Q478 WeakPolarHBondContact O-CB 3.27Å; M475-Q478 PolarHBondContact O-N 2.81Å; M475-Q478 VanDerWaalsContact O-N 3.15Å; Q478-T481 PolarHBondContact O-N 3.48Å; Q478-C482 WeakPolarHBondContact O-CB 3.21Å; Q478-C482 PolarHBondContact O-N 3.47Å
479	Y	95.6	Very high	93.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65.4	-49.8	177.5	-165.6	-144.4	0	0	0	111.5	C119 F121 I445 P460 F463 T464 W469 M475 L476 K477 T481 C482 L483 F499	C119-Y479 HydrophobicContact CB-CD2 3.57Å; C119-Y479 HydrophobicContact CB-CE2 3.76Å; F121-Y479 HydrophobicContact CZ-CD2 4.33Å; F121-Y479 HydrophobicContact CZ-CG 4.45Å; I445-Y479 HydrophobicContact CD1-CD1 4.46Å; I445-Y479 HydrophobicContact CD1-CE1 3.7Å; P460-Y479 PolarHBondContact O-OH 3.48Å; F463-Y479 HydrophobicContact CB-CE2 4.17Å; T464-Y479 HydrophobicContact CG2-CD2 4.36Å; T464-Y479 HydrophobicContact CG2-CE1 4.32Å; T464-Y479 HydrophobicContact CG2-CE2 3.71Å; W469-Y479 AromaticContact CD2-CD1 3.76Å; W469-Y479 HydrophobicContact CD2-CD1 3.76Å; W469-Y479 HydrophobicContact CD2-CE1 4.2Å; W469-Y479 HydrophobicContact CD2-CG 4.42Å; W469-Y479 AromaticContact CE2-CD1 3.84Å; W469-Y479 AromaticContact CE2-CE1 3.77Å; W469-Y479 AromaticContact CE3-CD1 3.76Å; W469-Y479 HydrophobicContact CE3-CD1 3.76Å; W469-Y479 HydrophobicContact CE3-CE1 4.41Å; W469-Y479 HydrophobicContact CG-CD1 4.43Å; W469-Y479 AromaticContact CH2-CD1 4Å; W469-Y479 HydrophobicContact CH2-CD1 4Å; W469-Y479 AromaticContact CH2-CE1 3.9Å; W469-Y479 HydrophobicContact CH2-CE1 3.9Å; W469-Y479 AromaticContact CZ2-CD1 3.96Å; W469-Y479 HydrophobicContact CZ2-CD1 3.96Å; W469-Y479 AromaticContact CZ2-CE1 3.62Å; W469-Y479 HydrophobicContact CZ2-CE1 3.62Å; W469-Y479 AromaticContact CZ3-CD1 3.89Å; W469-Y479 HydrophobicContact CZ3-CD1 3.89Å; W469-Y479 HydrophobicContact CZ3-CE1 4.28Å; M475-Y479 PolarHBondContact O-N 2.85Å; L476-Y479 PolarHBondContact O-N 3.45Å; K477-Y479 VanDerWaalsContact C-N 3.32Å; Y479-T481 VanDerWaalsContact C-N 3.29Å; Y479-T481 PolarHBondContact O-N 2.83Å; Y479-C482 WeakPolarHBondContact O-CB 3.44Å; Y479-C482 PolarHBondContact O-N 3.24Å; Y479-C482 VanDerWaalsContact O-N 3.08Å; Y479-L483 HydrophobicContact CD1-CD1 4.15Å; Y479-L483 HydrophobicContact CD2-CG 4.21Å; Y479-L483 HydrophobicContact CE1-CD1 4.05Å; Y479-L483 HydrophobicContact CE2-CD1 4.43Å; Y479-L483 HydrophobicContact CE2-CD2 3.93Å; Y479-L483 HydrophobicContact CE2-CG 4.08Å; Y479-L483 HydrophobicContact CG-CD1 4.4Å; Y479-L483 HydrophobicContact CG-CG 4.48Å; Y479-L483 WeakPolarHBondContact O-CG 3.48Å; Y479-L483 PolarHBondContact O-N 3.34Å; Y479-F499 AromaticContact CD1-CE1 3.98Å; Y479-F499 HydrophobicContact CD1-CE1 3.98Å; Y479-F499 HydrophobicContact CD1-CZ 4.25Å; Y479-F499 HydrophobicContact CE1-CE1 4.48Å
480	A	96.1	Very high	93.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-55.7	-44.2	176	0	0	0	0	0	112.1	L476 C482 L483 S484 F499 I520 V521	L476-A480 WeakPolarHBondContact O-CB 3.27Å; L476-A480 PolarHBondContact O-N 2.69Å; A480-C482 VanDerWaalsContact C-N 3.35Å; A480-C482 PolarHBondContact O-N 3.08Å; A480-L483 PolarHBondContact O-N 2.97Å; A480-S484 WeakPolarHBondContact O-CB 3.46Å; A480-S484 PolarHBondContact O-N 2.89Å; A480-F499 HydrophobicContact CB-CE2 3.77Å; A480-F499 HydrophobicContact CB-CZ 4.09Å; A480-I520 HydrophobicContact CB-CB 3.89Å; A480-I520 HydrophobicContact CB-CG2 3.46Å; A480-I520 VanDerWaalsContact CB-CG2 3.46Å; A480-V521 HydrophobicContact CB-CG2 4.26Å
481	T	95	Very high	93.8	Very high	38 Å²	38	43.3 Å²	43.3	23%	0.233	21%	0.207	C	C	.	.	H	α-helix	trans	-64.3	-41	177.4	-53.6	0	0	0	0	111.3	K477 Q478 Y479 S484 R485	K477-T481 WeakPolarHBondContact O-CB 3.28Å; K477-T481 PolarHBondContact O-N 3.4Å; K477-T481 PolarHBondContact O-OG1 3.15Å; Q478-T481 PolarHBondContact O-N 3.48Å; Y479-T481 VanDerWaalsContact C-N 3.29Å; Y479-T481 PolarHBondContact O-N 2.83Å; T481-S484 PolarHBondContact O-N 3.47Å; T481-S484 PolarHBondContact O-OG 2.86Å; T481-R485 WeakPolarHBondContact O-CG 3.45Å; T481-R485 PolarHBondContact O-N 3.22Å
482	C	94.3	Very high	93.9	Very high	17 Å²	17	43.1 Å²	43.1	12%	0.115	21%	0.206	C	C	.	.	H	α-helix	trans	-63.3	-49	175.5	177.8	0	0	0	0	111.8	C119 Q478 Y479 A480 S484 R485 H486	C119-C482 WeakPolarHBondContact CA-SG 3.46Å; C119-C482 HydrophobicContact CB-CB 3.7Å; C119-C482 WeakPolarHBondContact CB-SG 3.35Å; C119-C482 WeakPolarHBondContact SG-CB 3.39Å; C119-C482 CovalentContact SG-SG 2.03Å; C119-C482 PolarHBondContact SG-SG 3.45Å; Q478-C482 WeakPolarHBondContact O-CB 3.21Å; Q478-C482 PolarHBondContact O-N 3.47Å; Y479-C482 WeakPolarHBondContact O-CB 3.44Å; Y479-C482 PolarHBondContact O-N 3.24Å; Y479-C482 VanDerWaalsContact O-N 3.08Å; A480-C482 VanDerWaalsContact C-N 3.35Å; A480-C482 PolarHBondContact O-N 3.08Å; C482-S484 VanDerWaalsContact C-N 3.29Å; C482-S484 PolarHBondContact O-N 3.49Å; C482-R485 WeakPolarHBondContact O-CB 3.32Å; C482-R485 PolarHBondContact O-N 3.31Å; C482-H486 PolarHBondContact O-CD2 2.9Å; C482-H486 VanDerWaalsContact O-CD2 3.25Å; C482-H486 PolarHBondContact O-N 3.12Å; C482-H486 VanDerWaalsContact O-N 3.16Å; C482-H486 PolarHBondContact SG-CD2 2.6Å
483	L	95.1	Very high	93.9	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-55.7	-44.6	175.3	-67.5	177.1	0	0	0	111.3	I445 L458 F463 Y479 A480 R485 H486 L487 I497 F499	I445-L483 HydrophobicContact CG2-CD1 4.39Å; L458-L483 HydrophobicContact CD1-CD1 4.27Å; L458-L483 HydrophobicContact CD1-CD2 4.41Å; F463-L483 HydrophobicContact CD2-CD2 3.34Å; F463-L483 HydrophobicContact CE2-CD2 3.94Å; F463-L483 HydrophobicContact CG-CD2 4.32Å; Y479-L483 HydrophobicContact CD1-CD1 4.15Å; Y479-L483 HydrophobicContact CD2-CG 4.21Å; Y479-L483 HydrophobicContact CE1-CD1 4.05Å; Y479-L483 HydrophobicContact CE2-CD1 4.43Å; Y479-L483 HydrophobicContact CE2-CD2 3.93Å; Y479-L483 HydrophobicContact CE2-CG 4.08Å; Y479-L483 HydrophobicContact CG-CD1 4.4Å; Y479-L483 HydrophobicContact CG-CG 4.48Å; Y479-L483 WeakPolarHBondContact O-CG 3.48Å; Y479-L483 PolarHBondContact O-N 3.34Å; A480-L483 PolarHBondContact O-N 2.97Å; L483-R485 PolarHBondContact O-N 2.84Å; L483-R485 VanDerWaalsContact O-N 3.09Å; L483-H486 PolarHBondContact O-N 3.31Å; L483-L487 HydrophobicContact CB-CD1 4.4Å; L483-L487 WeakPolarHBondContact O-CB 3.08Å; L483-L487 VanDerWaalsContact O-CG 3.27Å; L483-L487 WeakPolarHBondContact O-CG 3.48Å; L483-L487 PolarHBondContact O-N 2.86Å; L483-I497 HydrophobicContact CB-CD1 3.32Å; L483-I497 HydrophobicContact CD1-CD1 4.03Å; L483-I497 HydrophobicContact CD1-CG2 4.26Å; L483-I497 HydrophobicContact CG-CD1 4.32Å; L483-F499 HydrophobicContact CD1-CZ 4.23Å
484	S	95	Very high	93.9	Very high	26 Å²	26	48.9 Å²	48.9	18%	0.182	24%	0.242	C	C	.	.	H	α-helix	trans	-59.3	-25.5	178.8	75.8	0	0	0	0	114	A480 T481 C482 P488	A480-S484 WeakPolarHBondContact O-CB 3.46Å; A480-S484 PolarHBondContact O-N 2.89Å; T481-S484 PolarHBondContact O-N 3.47Å; T481-S484 PolarHBondContact O-OG 2.86Å; C482-S484 VanDerWaalsContact C-N 3.29Å; C482-S484 PolarHBondContact O-N 3.49Å; S484-P488 VanDerWaalsContact O-CD 3.24Å; S484-P488 WeakPolarHBondContact O-CD 3.49Å
485	R	93.6	Very high	94.1	Very high	176 Å²	176	49 Å²	49	66%	0.664	24%	0.244	S	C	*	.	H	α-helix	trans	-85.9	-28.8	175.8	-65.6	174	-175	161.8	1	112.8	T481 C482 L483	T481-R485 WeakPolarHBondContact O-CG 3.45Å; T481-R485 PolarHBondContact O-N 3.22Å; C482-R485 WeakPolarHBondContact O-CB 3.32Å; C482-R485 PolarHBondContact O-N 3.31Å; L483-R485 PolarHBondContact O-N 2.84Å; L483-R485 VanDerWaalsContact O-N 3.09Å
486	H	92.7	Very high	94.2	Very high	45 Å²	45	50.2 Å²	50.2	21%	0.208	25%	0.249	C	C	.	.	H	α-helix	trans	-87.3	-39.7	-178.2	-75.7	-63.8	0	0	0	113.1	P117 C482 L483 P488 H489	P117-H486 VanDerWaalsContact CB-CE1 3.48Å; P117-H486 WeakPolarHBondContact CB-CE1 3.13Å; C482-H486 PolarHBondContact O-CD2 2.9Å; C482-H486 VanDerWaalsContact O-CD2 3.25Å; C482-H486 PolarHBondContact O-N 3.12Å; C482-H486 VanDerWaalsContact O-N 3.16Å; C482-H486 PolarHBondContact SG-CD2 2.6Å; L483-H486 PolarHBondContact O-N 3.31Å; H486-P488 VanDerWaalsContact C-N 3.3Å; H486-H489 WeakPolarHBondContact O-CB 3.49Å; H486-H489 PolarHBondContact O-N 3.34Å; H486-H489 PolarHBondContact O-ND1 3.36Å; H486-H489 VanDerWaalsContact O-ND1 3.16Å
487	L	93.3	Very high	94.3	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.016	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-57	-29.7	-176.8	-68.5	175.1	0	0	0	115.3	L458 L483 H489 Y490 I492 P495 I497	L458-L487 HydrophobicContact CD1-CD1 4.14Å; L458-L487 HydrophobicContact CD1-CD2 4.03Å; L458-L487 HydrophobicContact CD2-CD2 4.09Å; L483-L487 HydrophobicContact CB-CD1 4.4Å; L483-L487 WeakPolarHBondContact O-CB 3.08Å; L483-L487 VanDerWaalsContact O-CG 3.27Å; L483-L487 WeakPolarHBondContact O-CG 3.48Å; L483-L487 PolarHBondContact O-N 2.86Å; L487-H489 PolarHBondContact O-N 2.88Å; L487-H489 VanDerWaalsContact O-N 3.14Å; L487-Y490 CarbonylContact O-C 3.53Å; L487-Y490 WeakPolarHBondContact O-CA 3.48Å; L487-Y490 PolarHBondContact O-N 3Å; L487-I492 CarbonylContact C-O 3.57Å; L487-I492 HydrophobicContact CB-CB 4.07Å; L487-I492 HydrophobicContact CB-CD1 4.2Å; L487-I492 HydrophobicContact CB-CG2 4.29Å; L487-I492 HydrophobicContact CD2-CD1 3.87Å; L487-I492 HydrophobicContact CG-CD1 4.43Å; L487-I492 PolarHBondContact O-N 2.89Å; L487-P495 HydrophobicContact CB-CB 4.17Å; L487-P495 HydrophobicContact CB-CG 4.27Å; L487-P495 HydrophobicContact CD1-CB 3.69Å; L487-P495 HydrophobicContact CD1-CG 4.47Å; L487-I497 HydrophobicContact CD1-CD1 3.92Å; L487-I497 HydrophobicContact CD1-CG1 4.39Å
488	P	94.4	Very high	94.4	Very high	60 Å²	60	51.2 Å²	51.2	39%	0.39	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-57.5	-24.6	170.6	-29.7	37.6	0	0	0	115.2	S484 H486 Y490 I492	S484-P488 VanDerWaalsContact O-CD 3.24Å; S484-P488 WeakPolarHBondContact O-CD 3.49Å; H486-P488 VanDerWaalsContact C-N 3.3Å; P488-Y490 PolarHBondContact O-N 3.34Å; P488-I492 WeakPolarHBondContact CA-O 3.43Å
489	H	92.8	Very high	94.5	Very high	147 Å²	147	49.2 Å²	49.2	68%	0.681	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-72.7	-12.1	174	-61.8	80.8	0	0	0	113	H486 L487	H486-H489 WeakPolarHBondContact O-CB 3.49Å; H486-H489 PolarHBondContact O-N 3.34Å; H486-H489 PolarHBondContact O-ND1 3.36Å; H486-H489 VanDerWaalsContact O-ND1 3.16Å; L487-H489 PolarHBondContact O-N 2.88Å; L487-H489 VanDerWaalsContact O-N 3.14Å
490	Y	91.3	Very high	94.5	Very high	132 Å²	132	50.1 Å²	50.1	52%	0.518	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-114.2	29.3	-179.8	-58.2	-85	0	0	0	111.7	F463 L487 P488 I492	F463-Y490 HydrophobicContact CE1-CE2 4.34Å; F463-Y490 AromaticContact CZ-CE2 3.79Å; F463-Y490 HydrophobicContact CZ-CE2 3.79Å; L487-Y490 CarbonylContact O-C 3.53Å; L487-Y490 WeakPolarHBondContact O-CA 3.48Å; L487-Y490 PolarHBondContact O-N 3Å; P488-Y490 PolarHBondContact O-N 3.34Å; Y490-I492 VanDerWaalsContact C-N 3.29Å; Y490-I492 PolarHBondContact O-N 3.42Å
491	N	92.6	Very high	94.5	Very high	149 Å²	149	50.1 Å²	50.1	80%	0.797	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.7	19.1	179.1	-56.9	-34.2	0	0	0	116
492	I	93.8	Very high	94.6	Very high	14 Å²	14	48.3 Å²	48.3	7%	0.072	24%	0.237	C	C	.	.			trans	-103.6	103.9	175.4	-60	158	0	0	0	108.4	Y447 D449 L487 P488 Y490 P495	Y447-I492 HydrophobicContact CD2-CD1 3.77Å; Y447-I492 HydrophobicContact CD2-CG1 4.23Å; Y447-I492 HydrophobicContact CD2-CG2 4.13Å; Y447-I492 HydrophobicContact CE1-CD1 4.21Å; Y447-I492 HydrophobicContact CE2-CD1 3.45Å; Y447-I492 VanDerWaalsContact CE2-CD1 3.45Å; Y447-I492 HydrophobicContact CE2-CG1 3.82Å; Y447-I492 HydrophobicContact CE2-CG2 4.48Å; Y447-I492 HydrophobicContact CG-CD1 4.29Å; D449-I492 HydrophobicContact CB-CG2 4.14Å; L487-I492 CarbonylContact C-O 3.57Å; L487-I492 HydrophobicContact CB-CB 4.07Å; L487-I492 HydrophobicContact CB-CD1 4.2Å; L487-I492 HydrophobicContact CB-CG2 4.29Å; L487-I492 HydrophobicContact CD2-CD1 3.87Å; L487-I492 HydrophobicContact CG-CD1 4.43Å; L487-I492 PolarHBondContact O-N 2.89Å; P488-I492 WeakPolarHBondContact CA-O 3.43Å; Y490-I492 VanDerWaalsContact C-N 3.29Å; Y490-I492 PolarHBondContact O-N 3.42Å; I492-P495 HydrophobicContact CG2-CB 3.83Å
493	S	91.2	Very high	94.6	Very high	66 Å²	66	47.5 Å²	47.5	46%	0.462	23%	0.231	S	C	.	.	S	Bend	trans	-82.2	-42.5	-164.1	-69.1	0	0	0	0	114.4	D449	D449-S493 PolarHBondContact OD2-N 2.98Å
494	D	94.3	Very high	94.6	Very high	64 Å²	64	47.9 Å²	47.9	34%	0.342	23%	0.234	S	C	.	.	S	Bend	trans	-124.9	74.8	178.1	-174.4	29.4	0	0	0	110.1	D449 G450 K451 E496	D449-D494 PolarHBondContact OD1-N 3.33Å; D449-D494 VanDerWaalsContact OD1-N 3.08Å; G450-D494 PolarHBondContact N-O 2.76Å; K451-D494 HydrophobicContact CG-CB 4.24Å; D494-E496 PolarHBondContact O-N 2.98Å
495	P	95.3	Very high	94.4	Very high	9 Å²	9	46.8 Å²	46.8	6%	0.058	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	116	-172.9	25.9	-33.4	0	0	0	112.5	L487 I492 I497	L487-P495 HydrophobicContact CB-CB 4.17Å; L487-P495 HydrophobicContact CB-CG 4.27Å; L487-P495 HydrophobicContact CD1-CB 3.69Å; L487-P495 HydrophobicContact CD1-CG 4.47Å; I492-P495 HydrophobicContact CG2-CB 3.83Å; P495-I497 HydrophobicContact CB-CG1 4.42Å
496	E	97	Very high	94.3	Very high	33 Å²	33	38.5 Å²	38.5	15%	0.154	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	129.2	162.5	-51	-158.2	133.4	0	0	109.1	Y447 K448 D494 Y498 N519 K522	Y447-E496 CarbonylContact C-O 3.59Å; Y447-E496 VanDerWaalsContact CA-O 3.24Å; Y447-E496 WeakPolarHBondContact CA-O 3.29Å; K448-E496 HydrophobicContact CB-CB 4.33Å; K448-E496 PolarHBondContact N-O 2.98Å; K448-E496 WeakPolarHBondContact O-CB 3.3Å; K448-E496 PolarHBondContact O-N 3.41Å; D494-E496 PolarHBondContact O-N 2.98Å; E496-Y498 HydrophobicContact CB-CE2 3.89Å; E496-Y498 PolarHBondContact OE2-OH 3.48Å; E496-N519 HydrophobicContact CB-CB 4.47Å; E496-N519 VanDerWaalsContact CB-ND2 3.32Å; E496-N519 WeakPolarHBondContact CB-ND2 3.11Å; E496-N519 WeakPolarHBondContact CG-ND2 3.33Å; E496-N519 PolarHBondContact OE1-ND2 3.11Å; E496-K522 IonicContact OE1-NZ 2.82Å; E496-K522 PolarHBondContact OE1-NZ 3.05Å
497	I	97.3	Very high	94.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	127.7	-171.1	-50.9	178.3	0	0	0	110.4	I445 T446 L483 L487 P495 F499 N519 I520 V521	I445-I497 HydrophobicContact CG2-CG2 3.78Å; T446-I497 WeakPolarHBondContact O-CA 3.46Å; L483-I497 HydrophobicContact CB-CD1 3.32Å; L483-I497 HydrophobicContact CD1-CD1 4.03Å; L483-I497 HydrophobicContact CD1-CG2 4.26Å; L483-I497 HydrophobicContact CG-CD1 4.32Å; L487-I497 HydrophobicContact CD1-CD1 3.92Å; L487-I497 HydrophobicContact CD1-CG1 4.39Å; P495-I497 HydrophobicContact CB-CG1 4.42Å; I497-F499 HydrophobicContact CB-CE2 4.34Å; I497-F499 HydrophobicContact CG2-CD2 4.23Å; I497-F499 HydrophobicContact CG2-CE2 3.52Å; I497-F499 HydrophobicContact CG2-CZ 3.78Å; I497-N519 PolarHBondContact N-OD1 3.1Å; I497-N519 VanDerWaalsContact N-OD1 3.16Å; I497-I520 PolarHBondContact O-N 3.4Å; I497-V521 HydrophobicContact CB-CG2 3.89Å; I497-V521 HydrophobicContact CD1-CG2 3.8Å; I497-V521 HydrophobicContact CG1-CG2 3.71Å
498	Y	97.3	Very high	94.2	Very high	52 Å²	52	41 Å²	41	20%	0.204	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	142.6	-177.2	-56	-88.9	0	0	0	109.8	T446 K448 E496 P516 R517 V518 N519	T446-Y498 PolarHBondContact N-O 3.14Å; T446-Y498 PolarHBondContact O-N 3.37Å; K448-Y498 HydrophobicContact CB-CE2 4.26Å; E496-Y498 HydrophobicContact CB-CE2 3.89Å; E496-Y498 PolarHBondContact OE2-OH 3.48Å; Y498-P516 WeakPolarHBondContact CD1-O 3.44Å; Y498-R517 WeakPolarHBondContact CE1-O 3.3Å; Y498-V518 WeakPolarHBondContact CD1-O 3.48Å; Y498-N519 HydrophobicContact CE1-CB 4Å
499	F	96.8	Very high	94.3	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.009	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	123.7	-177.3	-66.9	-96.4	0	0	0	109.5	I445 W469 L476 Y479 A480 L483 I497 I501 P516 I520	I445-F499 HydrophobicContact CD1-CD1 4.25Å; I445-F499 HydrophobicContact CD1-CE1 3.76Å; I445-F499 HydrophobicContact CG1-CD1 3.84Å; I445-F499 HydrophobicContact CG1-CE1 3.84Å; I445-F499 HydrophobicContact CG2-CD1 4.46Å; I445-F499 HydrophobicContact CG2-CE1 4.13Å; I445-F499 HydrophobicContact CG2-CZ 4.44Å; W469-F499 HydrophobicContact CE3-CE1 4.46Å; W469-F499 HydrophobicContact CH2-CD1 4.2Å; W469-F499 HydrophobicContact CH2-CE1 4.06Å; W469-F499 AromaticContact CZ3-CD1 3.71Å; W469-F499 HydrophobicContact CZ3-CD1 3.71Å; W469-F499 AromaticContact CZ3-CE1 3.62Å; W469-F499 HydrophobicContact CZ3-CE1 3.62Å; L476-F499 HydrophobicContact CD1-CB 4.1Å; L476-F499 HydrophobicContact CD1-CD1 3.95Å; L476-F499 HydrophobicContact CD1-CD2 4.39Å; L476-F499 HydrophobicContact CD1-CE1 4.47Å; L476-F499 HydrophobicContact CD1-CG 3.89Å; L476-F499 HydrophobicContact CD2-CD2 3.87Å; L476-F499 HydrophobicContact CD2-CE2 4.11Å; L476-F499 HydrophobicContact CD2-CG 4.2Å; L476-F499 HydrophobicContact CG-CD1 4.33Å; L476-F499 HydrophobicContact CG-CD2 4.29Å; L476-F499 HydrophobicContact CG-CE1 4.43Å; L476-F499 HydrophobicContact CG-CE2 4.39Å; L476-F499 HydrophobicContact CG-CG 4.24Å; L476-F499 HydrophobicContact CG-CZ 4.45Å; Y479-F499 AromaticContact CD1-CE1 3.98Å; Y479-F499 HydrophobicContact CD1-CE1 3.98Å; Y479-F499 HydrophobicContact CD1-CZ 4.25Å; Y479-F499 HydrophobicContact CE1-CE1 4.48Å; A480-F499 HydrophobicContact CB-CE2 3.77Å; A480-F499 HydrophobicContact CB-CZ 4.09Å; L483-F499 HydrophobicContact CD1-CZ 4.23Å; I497-F499 HydrophobicContact CB-CE2 4.34Å; I497-F499 HydrophobicContact CG2-CD2 4.23Å; I497-F499 HydrophobicContact CG2-CE2 3.52Å; I497-F499 HydrophobicContact CG2-CZ 3.78Å; F499-I501 HydrophobicContact CB-CD1 4.23Å; F499-I501 HydrophobicContact CB-CG1 4.17Å; F499-I501 HydrophobicContact CD1-CD1 4.34Å; F499-P516 WeakPolarHBondContact O-CA 3.48Å; F499-I520 HydrophobicContact CD2-CB 4.09Å; F499-I520 HydrophobicContact CD2-CG1 3.61Å; F499-I520 HydrophobicContact CE2-CB 4.02Å; F499-I520 HydrophobicContact CE2-CG1 4.08Å; F499-I520 HydrophobicContact CE2-CG2 4.36Å
500	D	96	Very high	94.4	Very high	18 Å²	18	32.1 Å²	32.1	10%	0.096	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	104.2	169.6	-167.4	0.8	0	0	0	108.3	V443 K444 W502 R512 P516	V443-D500 WeakPolarHBondContact CA-O 3.37Å; K444-D500 HydrophobicContact CB-CB 4.31Å; K444-D500 PolarHBondContact N-O 2.89Å; K444-D500 PolarHBondContact O-N 3.16Å; D500-W502 PolarHBondContact OD1-NE1 2.75Å; D500-R512 IonicContact OD1-CZ 3.15Å; D500-R512 IonicContact OD1-NE 2.97Å; D500-R512 PolarHBondContact OD1-NE 3.15Å; D500-R512 IonicContact OD1-NH2 3.68Å; D500-R512 IonicContact OD2-CZ 2.77Å; D500-R512 IonicContact OD2-NE 3.93Å; D500-R512 IonicContact OD2-NH2 2.86Å; D500-R512 PolarHBondContact OD2-NH2 2.97Å; D500-P516 HydrophobicContact CB-CB 4.06Å
501	I	96	Very high	94.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	117.5	-171.7	-51.2	-173.5	0	0	0	108.6	H442 V443 W469 K470 L476 F499 V503 R512 I513 F514	H442-I501 WeakPolarHBondContact O-CA 3.3Å; V443-I501 HydrophobicContact CG1-CD1 4.49Å; V443-I501 HydrophobicContact CG1-CG1 4.24Å; V443-I501 HydrophobicContact CG2-CG2 4.33Å; W469-I501 HydrophobicContact CH2-CD1 4.47Å; W469-I501 HydrophobicContact CZ3-CD1 3.84Å; K470-I501 HydrophobicContact CB-CD1 4.24Å; K470-I501 HydrophobicContact CB-CG2 4.23Å; L476-I501 HydrophobicContact CD1-CD1 3.5Å; F499-I501 HydrophobicContact CB-CD1 4.23Å; F499-I501 HydrophobicContact CB-CG1 4.17Å; F499-I501 HydrophobicContact CD1-CD1 4.34Å; I501-V503 HydrophobicContact CG2-CG2 3.89Å; I501-R512 WeakPolarHBondContact O-CA 3.46Å; I501-I513 HydrophobicContact CB-CG2 3.82Å; I501-I513 HydrophobicContact CG2-CG2 3.85Å; I501-I513 PolarHBondContact O-N 3.46Å; I501-I513 VanDerWaalsContact O-N 3.13Å; I501-F514 HydrophobicContact CD1-CD2 4.19Å; I501-F514 HydrophobicContact CD1-CE2 4.45Å
502	W	95.7	Very high	94.8	Very high	1 Å²	1	18.9 Å²	18.9	0%	0.004	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	125.4	178.6	-65.2	74.5	0	0	0	109.9	H440 Q441 H442 D500 Q511 R512 I564 D566 L572	H440-W502 WeakPolarHBondContact CA-O 3.45Å; Q441-W502 PolarHBondContact N-O 3.29Å; H442-W502 HydrophobicContact CB-CB 4.14Å; H442-W502 HydrophobicContact CB-CG 4.08Å; H442-W502 AromaticContact CD2-CD1 3.67Å; H442-W502 AromaticContact CD2-NE1 3.99Å; H442-W502 PolarHBondContact O-N 2.91Å; D500-W502 PolarHBondContact OD1-NE1 2.75Å; W502-Q511 WeakPolarHBondContact CA-O 3.43Å; W502-R512 HydrophobicContact CD2-CG 4.02Å; W502-R512 HydrophobicContact CE3-CG 4.27Å; W502-R512 HydrophobicContact CH2-CG 4.18Å; W502-R512 HydrophobicContact CZ2-CG 3.9Å; W502-R512 HydrophobicContact CZ3-CG 4.3Å; W502-I564 HydrophobicContact CE3-CG2 3.94Å; W502-I564 HydrophobicContact CH2-CG2 3.72Å; W502-I564 HydrophobicContact CZ3-CG2 3.21Å; W502-D566 HydrophobicContact CH2-CB 3.76Å; W502-D566 HydrophobicContact CZ3-CB 4.27Å; W502-L572 HydrophobicContact CH2-CD2 4.48Å; W502-L572 HydrophobicContact CZ2-CB 4.09Å; W502-L572 HydrophobicContact CZ2-CD1 3.83Å; W502-L572 HydrophobicContact CZ2-CD2 4.14Å; W502-L572 HydrophobicContact CZ2-CG 4.23Å
503	V	95.3	Very high	94.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	137.2	-176.9	-174.7	0	0	0	0	109.2	W422 R438 S439 I501 Q511 I513	W422-V503 HydrophobicContact CH2-CB 3.97Å; W422-V503 WeakPolarHBondContact CH2-O 3.31Å; W422-V503 HydrophobicContact CZ3-CB 3.83Å; W422-V503 HydrophobicContact CZ3-CG1 3.89Å; R438-V503 HydrophobicContact CB-CG1 4.19Å; R438-V503 HydrophobicContact CG-CG1 4.36Å; S439-V503 WeakPolarHBondContact O-CA 3.21Å; I501-V503 HydrophobicContact CG2-CG2 3.89Å; V503-Q511 PolarHBondContact N-O 2.88Å; V503-Q511 PolarHBondContact O-N 3.44Å; V503-Q511 VanDerWaalsContact O-N 3.1Å; V503-I513 HydrophobicContact CG2-CB 4.41Å; V503-I513 HydrophobicContact CG2-CG2 3.97Å
504	S	94.1	Very high	95.2	Very high	8 Å²	8	15.2 Å²	15.2	6%	0.056	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	142.4	160.1	174.1	0	0	0	0	109.2	R438 S439 R508	R438-S504 VanDerWaalsContact CA-O 3.27Å; R438-S504 WeakPolarHBondContact CA-O 3.36Å; S439-S504 PolarHBondContact N-O 2.77Å; S439-S504 PolarHBondContact O-N 3.21Å; S504-R508 WeakPolarHBondContact CB-O 3.39Å; S504-R508 PolarHBondContact OG-N 3.17Å; S504-R508 PolarHBondContact OG-O 3.47Å
505	I	92.3	Very high	95.3	Very high	3 Å²	3	13.2 Å²	13.2	2%	0.015	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	124.3	174.2	-171.9	171.8	0	0	0	109.4	W422 T423 H436 S437 R438 E507 R508 L537	W422-I505 HydrophobicContact CE3-CB 4.2Å; W422-I505 HydrophobicContact CE3-CG2 3.8Å; W422-I505 HydrophobicContact CZ3-CB 4.37Å; W422-I505 HydrophobicContact CZ3-CG2 4.05Å; T423-I505 HydrophobicContact CG2-CD1 4.16Å; H436-I505 HydrophobicContact CB-CD1 4.08Å; H436-I505 HydrophobicContact CB-CG1 4.29Å; S437-I505 WeakPolarHBondContact O-CA 3.38Å; R438-I505 HydrophobicContact CG-CB 4.43Å; R438-I505 HydrophobicContact CG-CD1 4.49Å; R438-I505 HydrophobicContact CG-CG1 4.2Å; I505-E507 PolarHBondContact O-N 3.01Å; I505-R508 WeakPolarHBondContact O-CG 3.45Å; I505-R508 PolarHBondContact O-N 3.5Å; I505-R508 PolarHBondContact O-NH1 2.86Å; I505-L537 HydrophobicContact CG2-CD1 3.61Å; I505-L537 HydrophobicContact CG2-CD2 4.21Å
506	N	91.4	Very high	95.4	Very high	2 Å²	2	13.9 Å²	13.9	1%	0.011	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	48	56.9	-178.5	-63.5	-16.1	0	0	0	112.1	D242 V435 H436 S437 R508 R545	D242-N506 HydrophobicContact CB-CB 4.32Å; D242-N506 WeakPolarHBondContact CB-ND2 3.49Å; D242-N506 PolarHBondContact OD2-ND2 2.89Å; V435-N506 PolarHBondContact O-ND2 2.83Å; H436-N506 WeakPolarHBondContact CA-OD1 3.32Å; S437-N506 PolarHBondContact N-OD1 2.93Å; S437-N506 PolarHBondContact O-N 2.92Å; N506-R508 PolarHBondContact O-N 2.8Å; N506-R508 VanDerWaalsContact O-N 3.07Å; N506-R545 VanDerWaalsContact O-CZ 3.28Å; N506-R545 PolarHBondContact O-NE 3.48Å; N506-R545 PolarHBondContact O-NH2 2.88Å
507	E	89.1	Confident	95.3	Very high	74 Å²	74	19.4 Å²	19.4	35%	0.346	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	20.3	173.7	-57.3	175.7	179.8	0	0	115.5	S250 I505 R545	S250-E507 WeakPolarHBondContact CB-OE1 3.38Å; S250-E507 PolarHBondContact OG-OE1 3.49Å; I505-E507 PolarHBondContact O-N 3.01Å; E507-R545 WeakPolarHBondContact O-CG 3.41Å
508	R	93.9	Very high	95.3	Very high	26 Å²	26	21.3 Å²	21.3	10%	0.098	10%	0.097	C	C	.	.			trans	-75.4	174	170.2	-67.9	-176.4	-179.3	88.5	-1.8	111.2	D242 S504 I505 N506 Q510 S542	D242-R508 IonicContact OD1-CZ 2.97Å; D242-R508 IonicContact OD1-NH1 3.59Å; D242-R508 IonicContact OD1-NH2 2.86Å; D242-R508 PolarHBondContact OD1-NH2 2.96Å; D242-R508 IonicContact OD2-CZ 2.73Å; D242-R508 VanDerWaalsContact OD2-CZ 3.23Å; D242-R508 IonicContact OD2-NH1 3.65Å; D242-R508 PolarHBondContact OD2-NH1 3.21Å; D242-R508 IonicContact OD2-NH2 3.66Å; D242-R508 PolarHBondContact OD2-NH2 3.42Å; S504-R508 WeakPolarHBondContact CB-O 3.39Å; S504-R508 PolarHBondContact OG-N 3.17Å; S504-R508 PolarHBondContact OG-O 3.47Å; I505-R508 WeakPolarHBondContact O-CG 3.45Å; I505-R508 PolarHBondContact O-N 3.5Å; I505-R508 PolarHBondContact O-NH1 2.86Å; N506-R508 PolarHBondContact O-N 2.8Å; N506-R508 VanDerWaalsContact O-N 3.07Å; R508-Q510 PolarHBondContact O-N 3.37Å; R508-S542 PolarHBondContact NE-OG 3.22Å
509	F	96.2	Very high	95.3	Very high	3 Å²	3	19.7 Å²	19.7	1%	0.013	9%	0.092	C	C	.	.			trans	-47.9	140.5	166.1	-75.6	-74.9	0	0	0	111.9	Q511 L541 W544 F548 F563 A565 L588 C630	F509-Q511 PolarHBondContact O-N 3.21Å; F509-L541 HydrophobicContact CD2-CB 3.8Å; F509-L541 HydrophobicContact CD2-CD1 3.97Å; F509-L541 HydrophobicContact CD2-CG 4.5Å; F509-L541 HydrophobicContact CE2-CB 3.93Å; F509-L541 HydrophobicContact CE2-CD1 4.21Å; F509-W544 HydrophobicContact CD2-CB 4.49Å; F509-W544 HydrophobicContact CE2-CB 3.57Å; F509-W544 AromaticContact CE2-CD1 3.69Å; F509-W544 HydrophobicContact CE2-CD2 4.19Å; F509-W544 AromaticContact CE2-CG 3.54Å; F509-W544 HydrophobicContact CE2-CG 3.54Å; F509-W544 HydrophobicContact CZ-CB 3.96Å; F509-W544 AromaticContact CZ-CD2 3.99Å; F509-W544 HydrophobicContact CZ-CD2 3.99Å; F509-W544 HydrophobicContact CZ-CE3 4.36Å; F509-W544 AromaticContact CZ-CG 3.81Å; F509-W544 HydrophobicContact CZ-CG 3.81Å; F509-F548 HydrophobicContact CD1-CE1 4.11Å; F509-F548 AromaticContact CD1-CZ 3.6Å; F509-F548 HydrophobicContact CD1-CZ 3.6Å; F509-F548 HydrophobicContact CD2-CE2 4.48Å; F509-F548 AromaticContact CD2-CZ 3.64Å; F509-F548 HydrophobicContact CD2-CZ 3.64Å; F509-F548 AromaticContact CE1-CE1 3.51Å; F509-F548 HydrophobicContact CE1-CE1 3.51Å; F509-F548 AromaticContact CE1-CZ 3.44Å; F509-F548 HydrophobicContact CE1-CZ 3.44Å; F509-F548 VanDerWaalsContact CE1-CZ 3.44Å; F509-F548 AromaticContact CE2-CE1 3.99Å; F509-F548 HydrophobicContact CE2-CE1 3.99Å; F509-F548 AromaticContact CE2-CZ 3.48Å; F509-F548 HydrophobicContact CE2-CZ 3.48Å; F509-F548 VanDerWaalsContact CE2-CZ 3.48Å; F509-F548 HydrophobicContact CG-CE2 4.46Å; F509-F548 AromaticContact CG-CZ 3.7Å; F509-F548 HydrophobicContact CG-CZ 3.7Å; F509-F548 AromaticContact CZ-CE1 3.43Å; F509-F548 HydrophobicContact CZ-CE1 3.43Å; F509-F548 VanDerWaalsContact CZ-CE1 3.43Å; F509-F548 AromaticContact CZ-CZ 3.38Å; F509-F548 HydrophobicContact CZ-CZ 3.38Å; F509-F563 HydrophobicContact CD1-CB 3.69Å; F509-F563 HydrophobicContact CE1-CB 3.9Å; F509-A565 HydrophobicContact CB-CB 3.58Å; F509-A565 HydrophobicContact CD1-CB 4.16Å; F509-A565 HydrophobicContact CD2-CB 4.15Å; F509-A565 HydrophobicContact CG-CB 3.73Å; F509-L588 HydrophobicContact CE1-CD1 4.08Å; F509-L588 HydrophobicContact CZ-CD1 4.38Å; F509-C630 HydrophobicContact CE1-CB 3.91Å; F509-C630 HydrophobicContact CE2-CB 4.38Å; F509-C630 HydrophobicContact CZ-CB 3.74Å
510	Q	96.1	Very high	95.3	Very high	18 Å²	18	19.7 Å²	19.7	8%	0.084	9%	0.092	C	C	.	.	B	Isolated β-bridge	trans	-63.4	124.8	161.9	-67.3	-69.7	-23.7	0	0	108.3	S439 Q441 R508 V562 F563 I564 A565	S439-Q510 PolarHBondContact OG-NE2 3.49Å; Q441-Q510 HydrophobicContact CB-CG 4.33Å; R508-Q510 PolarHBondContact O-N 3.37Å; Q510-V562 HydrophobicContact CG-CG1 3.87Å; Q510-F563 WeakPolarHBondContact CB-O 3.2Å; Q510-F563 PolarHBondContact N-O 2.94Å; Q510-I564 HydrophobicContact CB-CG1 4.33Å; Q510-I564 WeakPolarHBondContact O-CA 3.48Å; Q510-A565 PolarHBondContact O-N 2.95Å
511	Q	96.1	Very high	95.3	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.009	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	162.2	178.5	73	-167	-78.7	0	0	110.7	W422 W502 V503 F509 P536 L538 A565	W422-Q511 HydrophobicContact CH2-CG 3.39Å; W422-Q511 HydrophobicContact CZ2-CG 3.53Å; W422-Q511 HydrophobicContact CZ3-CG 4.47Å; W502-Q511 WeakPolarHBondContact CA-O 3.43Å; V503-Q511 PolarHBondContact N-O 2.88Å; V503-Q511 PolarHBondContact O-N 3.44Å; V503-Q511 VanDerWaalsContact O-N 3.1Å; F509-Q511 PolarHBondContact O-N 3.21Å; Q511-P536 PolarHBondContact OE1-O 3.29Å; Q511-L538 VanDerWaalsContact OE1-CG 3.25Å; Q511-A565 WeakPolarHBondContact CA-O 3.36Å; Q511-A565 VanDerWaalsContact CB-O 3.31Å; Q511-A565 WeakPolarHBondContact CB-O 3.34Å
512	R	95.9	Very high	95.3	Very high	1 Å²	1	26.1 Å²	26.1	0%	0.004	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	131.3	176.6	-71	178.3	166.2	123.8	-3.1	111.2	D500 I501 W502 M535 D566 F567 L571	D500-R512 IonicContact OD1-CZ 3.15Å; D500-R512 IonicContact OD1-NE 2.97Å; D500-R512 PolarHBondContact OD1-NE 3.15Å; D500-R512 IonicContact OD1-NH2 3.68Å; D500-R512 IonicContact OD2-CZ 2.77Å; D500-R512 IonicContact OD2-NE 3.93Å; D500-R512 IonicContact OD2-NH2 2.86Å; D500-R512 PolarHBondContact OD2-NH2 2.97Å; I501-R512 WeakPolarHBondContact O-CA 3.46Å; W502-R512 HydrophobicContact CD2-CG 4.02Å; W502-R512 HydrophobicContact CE3-CG 4.27Å; W502-R512 HydrophobicContact CH2-CG 4.18Å; W502-R512 HydrophobicContact CZ2-CG 3.9Å; W502-R512 HydrophobicContact CZ3-CG 4.3Å; R512-M535 HydrophobicContact CB-CG 4.42Å; R512-M535 VanDerWaalsContact O-CB 3.23Å; R512-M535 WeakPolarHBondContact O-CB 3.42Å; R512-D566 IonicContact CZ-OD1 3.56Å; R512-D566 IonicContact CZ-OD2 3.7Å; R512-D566 IonicContact NH1-OD1 3.19Å; R512-D566 PolarHBondContact NH1-OD1 2.84Å; R512-D566 IonicContact NH1-OD2 3.48Å; R512-D566 PolarHBondContact NH1-OD2 3.5Å; R512-F567 HydrophobicContact CB-CD2 4.48Å; R512-F567 HydrophobicContact CB-CE2 4.3Å; R512-L571 PolarHBondContact NH2-O 3.32Å
513	I	96.2	Very high	95.3	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.01	13%	0.127	C	C	.	.	S	Bend	trans	-87.1	-29	174	-175.9	167.4	0	0	0	112.6	W422 I501 V503 L534 M535	W422-I513 HydrophobicContact CD2-CD1 4.36Å; W422-I513 HydrophobicContact CD2-CG1 4.37Å; W422-I513 HydrophobicContact CH2-CB 4.09Å; W422-I513 HydrophobicContact CZ2-CB 3.77Å; W422-I513 HydrophobicContact CZ2-CG1 4.1Å; I501-I513 HydrophobicContact CB-CG2 3.82Å; I501-I513 HydrophobicContact CG2-CG2 3.85Å; I501-I513 PolarHBondContact O-N 3.46Å; I501-I513 VanDerWaalsContact O-N 3.13Å; V503-I513 HydrophobicContact CG2-CB 4.41Å; V503-I513 HydrophobicContact CG2-CG2 3.97Å; I513-L534 HydrophobicContact CG1-CD1 3.82Å; I513-L534 WeakPolarHBondContact O-CD1 3.34Å; I513-M535 PolarHBondContact O-N 3.45Å
514	F	96.9	Very high	95.3	Very high	1 Å²	1	32.3 Å²	32.3	0%	0.004	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-129.3	151.5	179.1	-56.2	-64	0	0	0	111.3	K470 L476 I501 P516 W533 L534	K470-F514 WeakPolarHBondContact O-CE2 3.18Å; L476-F514 HydrophobicContact CB-CE2 4.42Å; L476-F514 HydrophobicContact CD1-CD2 3.5Å; L476-F514 VanDerWaalsContact CD1-CD2 3.5Å; L476-F514 HydrophobicContact CD1-CE2 3.51Å; L476-F514 HydrophobicContact CD1-CG 4.39Å; L476-F514 HydrophobicContact CD1-CZ 4.41Å; L476-F514 HydrophobicContact CG-CE2 4.47Å; I501-F514 HydrophobicContact CD1-CD2 4.19Å; I501-F514 HydrophobicContact CD1-CE2 4.45Å; F514-P516 VanDerWaalsContact O-CD 3.31Å; F514-P516 WeakPolarHBondContact O-CD 3.46Å; F514-W533 WeakPolarHBondContact CA-O 3.5Å; F514-W533 HydrophobicContact CB-CE3 4.12Å; F514-W533 HydrophobicContact CB-CZ3 4.35Å; F514-W533 AromaticContact CD1-CE3 3.37Å; F514-W533 HydrophobicContact CD1-CE3 3.37Å; F514-W533 HydrophobicContact CD1-CH2 4.4Å; F514-W533 AromaticContact CD1-CZ3 3.19Å; F514-W533 HydrophobicContact CD1-CZ3 3.19Å; F514-W533 HydrophobicContact CD2-CZ3 4.44Å; F514-W533 HydrophobicContact CE1-CE3 4.03Å; F514-W533 HydrophobicContact CE1-CH2 4.32Å; F514-W533 AromaticContact CE1-CZ3 3.43Å; F514-W533 HydrophobicContact CE1-CZ3 3.43Å; F514-W533 VanDerWaalsContact CE1-CZ3 3.43Å; F514-W533 AromaticContact CG-CE3 3.94Å; F514-W533 HydrophobicContact CG-CE3 3.94Å; F514-W533 AromaticContact CG-CZ3 3.75Å; F514-W533 HydrophobicContact CG-CZ3 3.75Å; F514-W533 HydrophobicContact CZ-CZ3 4.19Å; F514-L534 HydrophobicContact CD1-CB 4.47Å; F514-L534 HydrophobicContact CD1-CD1 3.89Å; F514-L534 HydrophobicContact CE1-CD1 3.51Å; F514-L534 HydrophobicContact CZ-CD1 4.37Å
515	D	96.7	Very high	95.3	Very high	23 Å²	23	35 Å²	35	12%	0.123	17%	0.166	C	C	.	.			trans	-69.9	114.8	177.9	-171.5	-25.8	0	0	0	110.2	R517 V518 W533 M535	D515-R517 PolarHBondContact O-N 2.89Å; D515-R517 VanDerWaalsContact O-N 3.14Å; D515-R517 VanDerWaalsContact OD1-CB 3.27Å; D515-R517 WeakPolarHBondContact OD1-CB 3.37Å; D515-R517 WeakPolarHBondContact OD1-CG 3.4Å; D515-R517 IonicContact OD1-CZ 3.75Å; D515-R517 PolarHBondContact OD1-N 3.25Å; D515-R517 IonicContact OD1-NE 2.94Å; D515-R517 PolarHBondContact OD1-NE 3.38Å; D515-R517 IonicContact OD1-NH2 3.69Å; D515-R517 IonicContact OD2-CZ 3.49Å; D515-R517 IonicContact OD2-NE 3.36Å; D515-R517 PolarHBondContact OD2-NE 2.89Å; D515-R517 IonicContact OD2-NH2 2.76Å; D515-R517 PolarHBondContact OD2-NH2 3.32Å; D515-V518 HydrophobicContact CB-CG2 3.87Å; D515-V518 PolarHBondContact O-N 2.93Å; D515-W533 PolarHBondContact N-O 3.24Å; D515-M535 HydrophobicContact CB-SD 3.8Å
516	P	96.3	Very high	95.4	Very high	23 Å²	23	36 Å²	36	15%	0.149	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-8.6	-175.4	31.5	-37.3	0	0	0	113.4	Y498 F499 D500 F514 L570	Y498-P516 WeakPolarHBondContact CD1-O 3.44Å; F499-P516 WeakPolarHBondContact O-CA 3.48Å; D500-P516 HydrophobicContact CB-CB 4.06Å; F514-P516 VanDerWaalsContact O-CD 3.31Å; F514-P516 WeakPolarHBondContact O-CD 3.46Å; P516-L570 HydrophobicContact CG-CD1 4.44Å; P516-L570 HydrophobicContact CG-CD2 4.28Å
517	R	95.8	Very high	95.4	Very high	149 Å²	149	37.7 Å²	37.7	56%	0.562	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-8.7	-179.7	-56.2	169.7	-64.6	-173.6	3.5	112.7	Y498 D515 L570	Y498-R517 WeakPolarHBondContact CE1-O 3.3Å; D515-R517 PolarHBondContact O-N 2.89Å; D515-R517 VanDerWaalsContact O-N 3.14Å; D515-R517 VanDerWaalsContact OD1-CB 3.27Å; D515-R517 WeakPolarHBondContact OD1-CB 3.37Å; D515-R517 WeakPolarHBondContact OD1-CG 3.4Å; D515-R517 IonicContact OD1-CZ 3.75Å; D515-R517 PolarHBondContact OD1-N 3.25Å; D515-R517 IonicContact OD1-NE 2.94Å; D515-R517 PolarHBondContact OD1-NE 3.38Å; D515-R517 IonicContact OD1-NH2 3.69Å; D515-R517 IonicContact OD2-CZ 3.49Å; D515-R517 IonicContact OD2-NE 3.36Å; D515-R517 PolarHBondContact OD2-NE 2.89Å; D515-R517 IonicContact OD2-NH2 2.76Å; D515-R517 PolarHBondContact OD2-NH2 3.32Å; R517-L570 HydrophobicContact CG-CD2 4.22Å
518	V	97.1	Very high	95.6	Very high	40 Å²	40	40.4 Å²	40.4	24%	0.242	20%	0.195	C	C	.	.	S	Bend	trans	-92.6	125.8	-174.5	179.2	0	0	0	0	110.4	Y498 D515 I520 A523 W533	Y498-V518 WeakPolarHBondContact CD1-O 3.48Å; D515-V518 HydrophobicContact CB-CG2 3.87Å; D515-V518 PolarHBondContact O-N 2.93Å; V518-I520 HydrophobicContact CB-CD1 4.3Å; V518-I520 HydrophobicContact CG1-CD1 4.08Å; V518-I520 PolarHBondContact O-N 3.38Å; V518-I520 VanDerWaalsContact O-N 3.07Å; V518-A523 HydrophobicContact CG1-CB 3.69Å; V518-W533 HydrophobicContact CB-CB 4.23Å; V518-W533 HydrophobicContact CG1-CB 4.08Å; V518-W533 HydrophobicContact CG1-CG 4.34Å; V518-W533 HydrophobicContact CG2-CB 4.06Å
519	N	97.1	Very high	95.6	Very high	18 Å²	18	46.3 Å²	46.3	10%	0.096	22%	0.217	C	C	.	.			trans	-71.4	101.6	168.8	176	2.2	0	0	0	109.3	E496 I497 Y498 V521 K522 A523	E496-N519 HydrophobicContact CB-CB 4.47Å; E496-N519 VanDerWaalsContact CB-ND2 3.32Å; E496-N519 WeakPolarHBondContact CB-ND2 3.11Å; E496-N519 WeakPolarHBondContact CG-ND2 3.33Å; E496-N519 PolarHBondContact OE1-ND2 3.11Å; I497-N519 PolarHBondContact N-OD1 3.1Å; I497-N519 VanDerWaalsContact N-OD1 3.16Å; Y498-N519 HydrophobicContact CE1-CB 4Å; N519-V521 PolarHBondContact O-N 3.14Å; N519-V521 WeakPolarHBondContact OD1-CB 3.17Å; N519-V521 PolarHBondContact OD1-N 3.49Å; N519-V521 VanDerWaalsContact OD1-N 3.07Å; N519-K522 PolarHBondContact O-N 2.93Å; N519-K522 VanDerWaalsContact O-N 3.17Å; N519-A523 WeakPolarHBondContact O-CB 3.46Å; N519-A523 PolarHBondContact O-N 3Å
520	I	97.5	Very high	95.6	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-26.1	-174	-59.5	-58.4	0	0	0	112	L476 K477 A480 I497 F499 V518 K522 A523 W533	L476-I520 HydrophobicContact CD2-CB 4.15Å; L476-I520 HydrophobicContact CD2-CD1 4.09Å; L476-I520 HydrophobicContact CD2-CG1 3.74Å; L476-I520 HydrophobicContact CD2-CG2 3.48Å; L476-I520 VanDerWaalsContact CD2-CG2 3.48Å; K477-I520 HydrophobicContact CD-CG2 4.16Å; K477-I520 VanDerWaalsContact CD-O 3.31Å; K477-I520 WeakPolarHBondContact CD-O 3.43Å; K477-I520 PolarHBondContact NZ-O 2.74Å; A480-I520 HydrophobicContact CB-CB 3.89Å; A480-I520 HydrophobicContact CB-CG2 3.46Å; A480-I520 VanDerWaalsContact CB-CG2 3.46Å; I497-I520 PolarHBondContact O-N 3.4Å; F499-I520 HydrophobicContact CD2-CB 4.09Å; F499-I520 HydrophobicContact CD2-CG1 3.61Å; F499-I520 HydrophobicContact CE2-CB 4.02Å; F499-I520 HydrophobicContact CE2-CG1 4.08Å; F499-I520 HydrophobicContact CE2-CG2 4.36Å; V518-I520 HydrophobicContact CB-CD1 4.3Å; V518-I520 HydrophobicContact CG1-CD1 4.08Å; V518-I520 PolarHBondContact O-N 3.38Å; V518-I520 VanDerWaalsContact O-N 3.07Å; I520-K522 VanDerWaalsContact C-N 3.29Å; I520-K522 PolarHBondContact O-N 2.7Å; I520-A523 PolarHBondContact O-N 3.38Å; I520-W533 HydrophobicContact CD1-CD2 3.7Å; I520-W533 HydrophobicContact CD1-CE3 3.67Å; I520-W533 HydrophobicContact CD1-CG 4.13Å; I520-W533 HydrophobicContact CD1-CH2 4.44Å; I520-W533 HydrophobicContact CD1-CZ3 4.04Å
521	V	95.8	Very high	95.5	Very high	32 Å²	32	50.1 Å²	50.1	19%	0.194	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-41.6	177.1	-177	0	0	0	0	110.9	K477 A480 I497 N519	K477-V521 VanDerWaalsContact NZ-C 3.34Å; K477-V521 PolarHBondContact NZ-O 2.92Å; A480-V521 HydrophobicContact CB-CG2 4.26Å; I497-V521 HydrophobicContact CB-CG2 3.89Å; I497-V521 HydrophobicContact CD1-CG2 3.8Å; I497-V521 HydrophobicContact CG1-CG2 3.71Å; N519-V521 PolarHBondContact O-N 3.14Å; N519-V521 WeakPolarHBondContact OD1-CB 3.17Å; N519-V521 PolarHBondContact OD1-N 3.49Å; N519-V521 VanDerWaalsContact OD1-N 3.07Å
522	K	95.7	Very high	95.4	Very high	122 Å²	122	54.8 Å²	54.8	53%	0.53	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-17.8	-179.8	-65.1	175.9	-174.4	163.1	0	113.3	E496 N519 I520	E496-K522 IonicContact OE1-NZ 2.82Å; E496-K522 PolarHBondContact OE1-NZ 3.05Å; N519-K522 PolarHBondContact O-N 2.93Å; N519-K522 VanDerWaalsContact O-N 3.17Å; I520-K522 VanDerWaalsContact C-N 3.29Å; I520-K522 PolarHBondContact O-N 2.7Å
523	A	96.2	Very high	95.4	Very high	13 Å²	13	55.1 Å²	55.1	11%	0.107	28%	0.275	C	S	.	.	S	Bend	trans	-62	138.6	-178.1	0	0	0	0	0	113.4	K477 V518 N519 I520 W533	K477-A523 PolarHBondContact NZ-O 3.38Å; V518-A523 HydrophobicContact CG1-CB 3.69Å; N519-A523 WeakPolarHBondContact O-CB 3.46Å; N519-A523 PolarHBondContact O-N 3Å; I520-A523 PolarHBondContact O-N 3.38Å; A523-W533 HydrophobicContact CB-CG 4.49Å
524	D	94.6	Very high	95.4	Very high	117 Å²	117	57 Å²	57	63%	0.626	29%	0.285	S	S	*	.			trans	-69.9	140	177	-74.3	-35.9	0	0	0	111.6	W533	D524-W533 PolarHBondContact O-NE1 2.88Å; D524-W533 VanDerWaalsContact O-NE1 3.15Å
525	W	94.4	Very high	95.4	Very high	65 Å²	65	57.9 Å²	57.9	25%	0.246	29%	0.289	C	S	.	.			trans	-143.2	139.8	168.7	-178.1	87.3	0	0	0	109.4	G418 Y419 D474 K477 P527	G418-W525 PolarHBondContact O-NE1 3.2Å; Y419-W525 HydrophobicContact CD1-CZ2 4.18Å; Y419-W525 AromaticContact CE1-CH2 3.92Å; Y419-W525 HydrophobicContact CE1-CH2 3.92Å; Y419-W525 AromaticContact CE1-CZ2 3.96Å; Y419-W525 HydrophobicContact CE1-CZ2 3.96Å; Y419-W525 AromaticContact CZ-CH2 3.92Å; D474-W525 HydrophobicContact CB-CD2 4.39Å; D474-W525 VanDerWaalsContact CB-CE2 3.5Å; D474-W525 HydrophobicContact CB-CH2 3.83Å; D474-W525 HydrophobicContact CB-CZ2 3.2Å; K477-W525 HydrophobicContact CB-CB 4.45Å; K477-W525 HydrophobicContact CD-CB 4.49Å; K477-W525 HydrophobicContact CG-CB 4.06Å; W525-P527 HydrophobicContact CH2-CB 4.27Å; W525-P527 HydrophobicContact CH2-CG 3.73Å; W525-P527 HydrophobicContact CZ3-CG 3.85Å
526	S	93.5	Very high	95.3	Very high	24 Å²	24	60.9 Å²	60.9	17%	0.168	31%	0.31	C	S	.	.			trans	-145.5	141.5	176.7	170.5	0	0	0	0	110	G418 F528 R529	G418-S526 WeakPolarHBondContact CA-O 3.44Å; S526-F528 PolarHBondContact O-N 2.96Å; S526-F528 PolarHBondContact OG-N 3.17Å; S526-R529 PolarHBondContact O-N 3.13Å
527	P	91.8	Very high	95.2	Very high	38 Å²	38	61.6 Å²	61.6	25%	0.247	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-27.4	175.1	-25.3	33.7	0	0	0	114.3	T416 Q417 G418 Y419 W525	T416-P527 CarbonylContact C-O 3.55Å; T416-P527 WeakPolarHBondContact CA-O 3.45Å; Q417-P527 PolarHBondContact N-O 3.49Å; G418-P527 PolarHBondContact N-O 3.47Å; Y419-P527 HydrophobicContact CE2-CB 3.82Å; W525-P527 HydrophobicContact CH2-CB 4.27Å; W525-P527 HydrophobicContact CH2-CG 3.73Å; W525-P527 HydrophobicContact CZ3-CG 3.85Å
528	F	94.3	Very high	95.2	Very high	131 Å²	131	55.8 Å²	55.8	58%	0.575	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.8	-0.9	-169.6	-53.9	-70.7	0	0	0	114.3	I415 S526	I415-F528 HydrophobicContact CG2-CD1 4.21Å; I415-F528 HydrophobicContact CG2-CE1 4.29Å; I415-F528 WeakPolarHBondContact O-CD1 3.45Å; S526-F528 PolarHBondContact O-N 2.96Å; S526-F528 PolarHBondContact OG-N 3.17Å
529	R	94.5	Very high	94.9	Very high	150 Å²	150	57.6 Å²	57.6	57%	0.566	30%	0.303	S	S	*	.	S	Bend	trans	-122.7	147.5	179.9	-67	-174.1	-73	177.6	-0.8	110	Q417 G418 S526	Q417-R529 CarbonylContact C-O 3.55Å; G418-R529 WeakPolarHBondContact CA-O 3.42Å; G418-R529 PolarHBondContact N-O 3.35Å; S526-R529 PolarHBondContact O-N 3.13Å
530	P	94.2	Very high	94.7	Very high	87 Å²	87	64.2 Å²	64.2	57%	0.565	34%	0.338	S	S	*	.			trans	-60.5	148.1	177.1	-18.9	33.6	0	0	0	110.3	Q417 P532	Q417-P530 HydrophobicContact CB-CG 4.29Å; Q417-P530 VanDerWaalsContact OE1-CG 3.3Å; P530-P532 VanDerWaalsContact O-CD 3.26Å; P530-P532 WeakPolarHBondContact O-CD 3.32Å
531	N	94.3	Very high	94.5	Very high	13 Å²	13	65.2 Å²	65.2	7%	0.07	34%	0.343	C	S	.	.			trans	-72.4	112.4	177.5	-177.2	-2.4	0	0	0	110.2	W533 L534	N531-W533 VanDerWaalsContact ND2-CH2 3.29Å; N531-W533 WeakPolarHBondContact ND2-CH2 3.35Å; N531-W533 WeakPolarHBondContact ND2-CZ2 3.37Å; N531-W533 VanDerWaalsContact ND2-CZ3 3.27Å; N531-W533 WeakPolarHBondContact ND2-CZ3 3.49Å; N531-W533 PolarHBondContact O-N 3.49Å; N531-W533 VanDerWaalsContact OD1-CD1 3.23Å; N531-W533 PolarHBondContact OD1-N 3.46Å; N531-W533 PolarHBondContact OD1-NE1 3.37Å; N531-L534 HydrophobicContact CB-CB 3.89Å; N531-L534 PolarHBondContact O-N 2.95Å
532	P	95.1	Very high	94.3	Very high	101 Å²	101	64.4 Å²	64.4	66%	0.656	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-14.1	-173.8	29.8	-33.9	0	0	0	113.9	P530	P530-P532 VanDerWaalsContact O-CD 3.26Å; P530-P532 WeakPolarHBondContact O-CD 3.32Å
533	W	96	Very high	94.2	Very high	8 Å²	8	63.2 Å²	63.2	3%	0.03	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	10.6	-179.2	46.7	-96.2	0	0	0	112.7	G473 L476 K477 F514 D515 V518 I520 A523 D524 N531	G473-W533 VanDerWaalsContact CA-CH2 3.49Å; G473-W533 VanDerWaalsContact O-CH2 3.24Å; G473-W533 WeakPolarHBondContact O-CH2 2.91Å; L476-W533 HydrophobicContact CB-CH2 4.43Å; L476-W533 HydrophobicContact CD2-CH2 3.75Å; L476-W533 HydrophobicContact CD2-CZ3 3.65Å; K477-W533 HydrophobicContact CB-CZ2 4.4Å; F514-W533 WeakPolarHBondContact CA-O 3.5Å; F514-W533 HydrophobicContact CB-CE3 4.12Å; F514-W533 HydrophobicContact CB-CZ3 4.35Å; F514-W533 AromaticContact CD1-CE3 3.37Å; F514-W533 HydrophobicContact CD1-CE3 3.37Å; F514-W533 HydrophobicContact CD1-CH2 4.4Å; F514-W533 AromaticContact CD1-CZ3 3.19Å; F514-W533 HydrophobicContact CD1-CZ3 3.19Å; F514-W533 HydrophobicContact CD2-CZ3 4.44Å; F514-W533 HydrophobicContact CE1-CE3 4.03Å; F514-W533 HydrophobicContact CE1-CH2 4.32Å; F514-W533 AromaticContact CE1-CZ3 3.43Å; F514-W533 HydrophobicContact CE1-CZ3 3.43Å; F514-W533 VanDerWaalsContact CE1-CZ3 3.43Å; F514-W533 AromaticContact CG-CE3 3.94Å; F514-W533 HydrophobicContact CG-CE3 3.94Å; F514-W533 AromaticContact CG-CZ3 3.75Å; F514-W533 HydrophobicContact CG-CZ3 3.75Å; F514-W533 HydrophobicContact CZ-CZ3 4.19Å; D515-W533 PolarHBondContact N-O 3.24Å; V518-W533 HydrophobicContact CB-CB 4.23Å; V518-W533 HydrophobicContact CG1-CB 4.08Å; V518-W533 HydrophobicContact CG1-CG 4.34Å; V518-W533 HydrophobicContact CG2-CB 4.06Å; I520-W533 HydrophobicContact CD1-CD2 3.7Å; I520-W533 HydrophobicContact CD1-CE3 3.67Å; I520-W533 HydrophobicContact CD1-CG 4.13Å; I520-W533 HydrophobicContact CD1-CH2 4.44Å; I520-W533 HydrophobicContact CD1-CZ3 4.04Å; A523-W533 HydrophobicContact CB-CG 4.49Å; D524-W533 PolarHBondContact O-NE1 2.88Å; D524-W533 VanDerWaalsContact O-NE1 3.15Å; N531-W533 VanDerWaalsContact ND2-CH2 3.29Å; N531-W533 WeakPolarHBondContact ND2-CH2 3.35Å; N531-W533 WeakPolarHBondContact ND2-CZ2 3.37Å; N531-W533 VanDerWaalsContact ND2-CZ3 3.27Å; N531-W533 WeakPolarHBondContact ND2-CZ3 3.49Å; N531-W533 PolarHBondContact O-N 3.49Å; N531-W533 VanDerWaalsContact OD1-CD1 3.23Å; N531-W533 PolarHBondContact OD1-N 3.46Å; N531-W533 PolarHBondContact OD1-NE1 3.37Å
534	L	96.2	Very high	94	Very high	41 Å²	41	64.6 Å²	64.6	22%	0.215	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	-80.8	128	167.6	180	78.5	0	0	0	109.4	N421 I513 F514 N531	N421-L534 HydrophobicContact CB-CD1 4.39Å; I513-L534 HydrophobicContact CG1-CD1 3.82Å; I513-L534 WeakPolarHBondContact O-CD1 3.34Å; F514-L534 HydrophobicContact CD1-CB 4.47Å; F514-L534 HydrophobicContact CD1-CD1 3.89Å; F514-L534 HydrophobicContact CE1-CD1 3.51Å; F514-L534 HydrophobicContact CZ-CD1 4.37Å; N531-L534 HydrophobicContact CB-CB 3.89Å; N531-L534 PolarHBondContact O-N 2.95Å
535	M	95.9	Very high	93.9	Very high	20 Å²	20	59.2 Å²	59.2	10%	0.099	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-79.1	140.8	176.3	-58.7	-59.7	-74.9	0	0	110.3	W422 R512 I513 D515 F567 L570	W422-M535 PolarHBondContact NE1-O 2.87Å; R512-M535 HydrophobicContact CB-CG 4.42Å; R512-M535 VanDerWaalsContact O-CB 3.23Å; R512-M535 WeakPolarHBondContact O-CB 3.42Å; I513-M535 PolarHBondContact O-N 3.45Å; D515-M535 HydrophobicContact CB-SD 3.8Å; M535-F567 HydrophobicContact CB-CE2 3.89Å; M535-F567 HydrophobicContact CB-CZ 3.87Å; M535-F567 HydrophobicContact CE-CB 3.87Å; M535-F567 HydrophobicContact CE-CD1 3.69Å; M535-F567 HydrophobicContact CE-CD2 3.28Å; M535-F567 HydrophobicContact CE-CE1 4.01Å; M535-F567 HydrophobicContact CE-CE2 3.63Å; M535-F567 HydrophobicContact CE-CG 3.31Å; M535-F567 HydrophobicContact CE-CZ 3.99Å; M535-F567 HydrophobicContact CG-CE2 4.24Å; M535-L570 HydrophobicContact CE-CD1 4.29Å
536	P	94.9	Very high	93.6	Very high	85 Å²	85	59.1 Å²	59.1	55%	0.552	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-67.4	142.8	179.2	29.2	-34.1	0	0	0	110.7	Q511 L538 F567	Q511-P536 PolarHBondContact OE1-O 3.29Å; P536-L538 PolarHBondContact O-N 2.93Å; P536-F567 HydrophobicContact CG-CE1 3.97Å; P536-F567 HydrophobicContact CG-CZ 4.48Å; P536-F567 WeakPolarHBondContact O-CZ 3.46Å
537	L	94.8	Very high	93.5	Very high	39 Å²	39	62.4 Å²	62.4	20%	0.204	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-68.2	124.2	170.8	-178.7	67.3	0	0	0	109.1	W422 I505 V539	W422-L537 HydrophobicContact CB-CB 4.4Å; W422-L537 HydrophobicContact CB-CD2 4.46Å; W422-L537 HydrophobicContact CD2-CB 4.24Å; W422-L537 HydrophobicContact CD2-CD1 3.75Å; W422-L537 HydrophobicContact CE3-CD1 3.78Å; W422-L537 HydrophobicContact CG-CB 3.93Å; W422-L537 HydrophobicContact CG-CD1 4.22Å; W422-L537 HydrophobicContact CG-CG 4.5Å; W422-L537 HydrophobicContact CH2-CD1 4.41Å; W422-L537 HydrophobicContact CZ2-CD1 4.37Å; W422-L537 HydrophobicContact CZ3-CD1 4.12Å; I505-L537 HydrophobicContact CG2-CD1 3.61Å; I505-L537 HydrophobicContact CG2-CD2 4.21Å; L537-V539 HydrophobicContact CB-CG2 4.25Å; L537-V539 HydrophobicContact CD2-CG2 3.83Å; L537-V539 HydrophobicContact CG-CG2 3.9Å; L537-V539 PolarHBondContact O-N 2.79Å
538	L	94.8	Very high	93.6	Very high	26 Å²	26	61.1 Å²	61.1	14%	0.136	33%	0.326	C	S	.	.			trans	-73.9	68.7	177.5	-63.8	174.8	0	0	0	112.2	Q511 P536 D540 L541 A565 F567 P628	Q511-L538 VanDerWaalsContact OE1-CG 3.25Å; P536-L538 PolarHBondContact O-N 2.93Å; L538-D540 VanDerWaalsContact C-N 3.28Å; L538-D540 PolarHBondContact O-N 2.69Å; L538-L541 HydrophobicContact CB-CD1 3.93Å; L538-L541 HydrophobicContact CB-CG 4.3Å; L538-L541 HydrophobicContact CD1-CD1 3.88Å; L538-L541 HydrophobicContact CG-CD1 4.47Å; L538-L541 PolarHBondContact O-N 2.82Å; L538-A565 HydrophobicContact CD1-CB 3.82Å; L538-F567 HydrophobicContact CD1-CE1 4.27Å; L538-F567 HydrophobicContact CD1-CZ 4.2Å; L538-F567 HydrophobicContact CD2-CE1 3.79Å; L538-F567 HydrophobicContact CD2-CZ 4.31Å; L538-F567 HydrophobicContact CG-CE1 4.05Å; L538-F567 HydrophobicContact CG-CZ 4.06Å; L538-P628 HydrophobicContact CD1-CB 3.9Å; L538-P628 HydrophobicContact CD1-CG 4.04Å; L538-P628 HydrophobicContact CD2-CB 4.46Å; L538-P628 HydrophobicContact CD2-CG 3.68Å
539	V	91.5	Very high	93.2	Very high	79 Å²	79	59.3 Å²	59.3	48%	0.479	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-63.7	-32	-176.7	-178.3	0	0	0	0	112.3	L537 L541 S542	L537-V539 HydrophobicContact CB-CG2 4.25Å; L537-V539 HydrophobicContact CD2-CG2 3.83Å; L537-V539 HydrophobicContact CG-CG2 3.9Å; L537-V539 PolarHBondContact O-N 2.79Å; V539-L541 PolarHBondContact O-N 2.97Å; V539-L541 VanDerWaalsContact O-N 3.08Å; V539-S542 VanDerWaalsContact O-CB 3.24Å; V539-S542 WeakPolarHBondContact O-CB 3.42Å; V539-S542 PolarHBondContact O-N 3.15Å; V539-S542 PolarHBondContact O-OG 3.24Å
540	D	92.5	Very high	93.1	Very high	156 Å²	156	58.6 Å²	58.6	83%	0.834	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-61.7	-20	179.3	-60.3	-31.2	0	0	0	113.1	L538 P543	L538-D540 VanDerWaalsContact C-N 3.28Å; L538-D540 PolarHBondContact O-N 2.69Å; D540-P543 WeakPolarHBondContact O-CD 3.35Å
541	L	93.8	Very high	92.9	Very high	22 Å²	22	56.3 Å²	56.3	12%	0.115	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-89.8	-1.9	177	-60	178.6	0	0	0	113.4	F509 L538 V539 P543 W544 A565 C630	F509-L541 HydrophobicContact CD2-CB 3.8Å; F509-L541 HydrophobicContact CD2-CD1 3.97Å; F509-L541 HydrophobicContact CD2-CG 4.5Å; F509-L541 HydrophobicContact CE2-CB 3.93Å; F509-L541 HydrophobicContact CE2-CD1 4.21Å; L538-L541 HydrophobicContact CB-CD1 3.93Å; L538-L541 HydrophobicContact CB-CG 4.3Å; L538-L541 HydrophobicContact CD1-CD1 3.88Å; L538-L541 HydrophobicContact CG-CD1 4.47Å; L538-L541 PolarHBondContact O-N 2.82Å; V539-L541 PolarHBondContact O-N 2.97Å; V539-L541 VanDerWaalsContact O-N 3.08Å; L541-P543 VanDerWaalsContact C-N 3.3Å; L541-W544 VanDerWaalsContact O-CB 3.32Å; L541-W544 WeakPolarHBondContact O-CB 3.39Å; L541-W544 PolarHBondContact O-N 3.12Å; L541-A565 HydrophobicContact CD1-CB 3.82Å; L541-C630 VanDerWaalsContact CD1-SG 3.51Å
542	S	91.6	Very high	92.6	Very high	16 Å²	16	60.5 Å²	60.5	11%	0.112	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-34.9	179.8	-52.7	0	0	0	0	114.5	R508 V539 W544 R545	R508-S542 PolarHBondContact NE-OG 3.22Å; V539-S542 VanDerWaalsContact O-CB 3.24Å; V539-S542 WeakPolarHBondContact O-CB 3.42Å; V539-S542 PolarHBondContact O-N 3.15Å; V539-S542 PolarHBondContact O-OG 3.24Å; S542-W544 PolarHBondContact O-N 3.43Å; S542-R545 VanDerWaalsContact O-CG 3.29Å; S542-R545 WeakPolarHBondContact O-CG 3.49Å; S542-R545 PolarHBondContact O-N 3.28Å
543	P	92.5	Very high	92.2	Very high	97 Å²	97	59 Å²	59	63%	0.63	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-12.9	176.2	-25.6	36.4	0	0	0	114.9	D540 L541 R545 T546	D540-P543 WeakPolarHBondContact O-CD 3.35Å; L541-P543 VanDerWaalsContact C-N 3.3Å; P543-R545 PolarHBondContact O-N 3.3Å; P543-T546 PolarHBondContact O-OG1 2.94Å
544	W	93.4	Very high	91.9	Very high	41 Å²	41	62.9 Å²	62.9	16%	0.155	36%	0.356	C	S	.	.	H	α-helix	trans	-68.8	-15.2	175.4	-80.5	93.2	0	0	0	114	F509 L541 S542 T546 K547 F548 L588 Q589	F509-W544 HydrophobicContact CD2-CB 4.49Å; F509-W544 HydrophobicContact CE2-CB 3.57Å; F509-W544 AromaticContact CE2-CD1 3.69Å; F509-W544 HydrophobicContact CE2-CD2 4.19Å; F509-W544 AromaticContact CE2-CG 3.54Å; F509-W544 HydrophobicContact CE2-CG 3.54Å; F509-W544 HydrophobicContact CZ-CB 3.96Å; F509-W544 AromaticContact CZ-CD2 3.99Å; F509-W544 HydrophobicContact CZ-CD2 3.99Å; F509-W544 HydrophobicContact CZ-CE3 4.36Å; F509-W544 AromaticContact CZ-CG 3.81Å; F509-W544 HydrophobicContact CZ-CG 3.81Å; L541-W544 VanDerWaalsContact O-CB 3.32Å; L541-W544 WeakPolarHBondContact O-CB 3.39Å; L541-W544 PolarHBondContact O-N 3.12Å; S542-W544 PolarHBondContact O-N 3.43Å; W544-T546 VanDerWaalsContact C-N 3.3Å; W544-T546 PolarHBondContact O-N 2.93Å; W544-K547 HydrophobicContact CD2-CD 4.09Å; W544-K547 HydrophobicContact CE3-CB 3.93Å; W544-K547 HydrophobicContact CE3-CD 3.43Å; W544-K547 VanDerWaalsContact CE3-CD 3.43Å; W544-K547 HydrophobicContact CE3-CG 4.32Å; W544-K547 HydrophobicContact CH2-CD 4.19Å; W544-K547 HydrophobicContact CZ3-CB 4.4Å; W544-K547 HydrophobicContact CZ3-CD 3.49Å; W544-K547 VanDerWaalsContact CZ3-CD 3.49Å; W544-K547 CarbonylContact O-C 3.37Å; W544-K547 WeakPolarHBondContact O-CA 3.45Å; W544-K547 WeakPolarHBondContact O-CB 3.35Å; W544-K547 PolarHBondContact O-N 3.46Å; W544-F548 HydrophobicContact CB-CD1 4.42Å; W544-F548 HydrophobicContact CB-CE1 3.69Å; W544-F548 HydrophobicContact CB-CE2 4.35Å; W544-F548 HydrophobicContact CB-CZ 3.64Å; W544-F548 HydrophobicContact CE3-CE1 4.38Å; W544-F548 VanDerWaalsContact O-CD1 3.32Å; W544-F548 WeakPolarHBondContact O-CD1 3.33Å; W544-F548 WeakPolarHBondContact O-CG 3.3Å; W544-F548 PolarHBondContact O-N 2.63Å; W544-L588 HydrophobicContact CH2-CB 4.07Å; W544-L588 HydrophobicContact CZ3-CB 4.24Å; W544-Q589 HydrophobicContact CZ2-CB 4.32Å
545	R	91.9	Very high	91.4	Very high	5 Å²	5	63.5 Å²	63.5	2%	0.019	36%	0.359	C	S	.	.	H	α-helix	trans	-54.4	-42.6	179.2	-71.9	171	178.9	152	-14.1	113.8	D242 Y247 N506 E507 S542 P543 K547 F548 Q549	D242-R545 VanDerWaalsContact CG-NH2 3.32Å; D242-R545 IonicContact OD1-CZ 2.8Å; D242-R545 VanDerWaalsContact OD1-CZ 3.28Å; D242-R545 IonicContact OD1-NH1 2.72Å; D242-R545 PolarHBondContact OD1-NH1 3.5Å; D242-R545 IonicContact OD1-NH2 3.73Å; D242-R545 PolarHBondContact OD1-NH2 2.85Å; D242-R545 IonicContact OD2-NH2 3.52Å; D242-R545 PolarHBondContact OD2-NH2 2.94Å; Y247-R545 HydrophobicContact CD1-CB 4.4Å; Y247-R545 HydrophobicContact CE1-CB 3.75Å; Y247-R545 HydrophobicContact CE1-CG 4.31Å; N506-R545 VanDerWaalsContact O-CZ 3.28Å; N506-R545 PolarHBondContact O-NE 3.48Å; N506-R545 PolarHBondContact O-NH2 2.88Å; E507-R545 WeakPolarHBondContact O-CG 3.41Å; S542-R545 VanDerWaalsContact O-CG 3.29Å; S542-R545 WeakPolarHBondContact O-CG 3.49Å; S542-R545 PolarHBondContact O-N 3.28Å; P543-R545 PolarHBondContact O-N 3.3Å; R545-K547 VanDerWaalsContact C-N 3.29Å; R545-K547 PolarHBondContact O-N 3.41Å; R545-F548 WeakPolarHBondContact O-CB 3.41Å; R545-F548 PolarHBondContact O-N 2.96Å; R545-Q549 PolarHBondContact O-N 3.26Å
546	T	88.9	Confident	90.9	Very high	63 Å²	63	68.6 Å²	68.6	39%	0.387	39%	0.387	S	S	.	.	H	α-helix	trans	-64.4	-39.2	177.5	57	0	0	0	0	111	P543 W544 F548 Q549 E550	P543-T546 PolarHBondContact O-OG1 2.94Å; W544-T546 VanDerWaalsContact C-N 3.3Å; W544-T546 PolarHBondContact O-N 2.93Å; T546-F548 VanDerWaalsContact C-N 3.33Å; T546-F548 PolarHBondContact O-N 3.19Å; T546-Q549 PolarHBondContact O-N 2.97Å; T546-E550 WeakPolarHBondContact O-CG 3.4Å; T546-E550 PolarHBondContact O-N 3.31Å
547	K	91.6	Very high	90.2	Very high	92 Å²	92	73 Å²	73	40%	0.4	41%	0.406	S	S	.	.	H	α-helix	trans	-66.5	-33.3	174.4	-67.2	-177.5	175.1	-177.8	0	112.5	W544 R545 E550 I551	W544-K547 HydrophobicContact CD2-CD 4.09Å; W544-K547 HydrophobicContact CE3-CB 3.93Å; W544-K547 HydrophobicContact CE3-CD 3.43Å; W544-K547 VanDerWaalsContact CE3-CD 3.43Å; W544-K547 HydrophobicContact CE3-CG 4.32Å; W544-K547 HydrophobicContact CH2-CD 4.19Å; W544-K547 HydrophobicContact CZ3-CB 4.4Å; W544-K547 HydrophobicContact CZ3-CD 3.49Å; W544-K547 VanDerWaalsContact CZ3-CD 3.49Å; W544-K547 CarbonylContact O-C 3.37Å; W544-K547 WeakPolarHBondContact O-CA 3.45Å; W544-K547 WeakPolarHBondContact O-CB 3.35Å; W544-K547 PolarHBondContact O-N 3.46Å; R545-K547 VanDerWaalsContact C-N 3.29Å; R545-K547 PolarHBondContact O-N 3.41Å; K547-E550 PolarHBondContact O-N 3.03Å; K547-I551 WeakPolarHBondContact O-CB 3.14Å; K547-I551 WeakPolarHBondContact O-CD1 3.45Å; K547-I551 WeakPolarHBondContact O-CG1 3.46Å; K547-I551 PolarHBondContact O-N 2.97Å
548	F	92.6	Very high	89.6	Confident	11 Å²	11	74.6 Å²	74.6	5%	0.048	41%	0.412	C	S	.	.	H	α-helix	trans	-61.1	-48.7	174.5	-58.2	-22.3	0	0	0	110.6	F509 W544 R545 T546 E550 I551 E552 F563	F509-F548 HydrophobicContact CD1-CE1 4.11Å; F509-F548 AromaticContact CD1-CZ 3.6Å; F509-F548 HydrophobicContact CD1-CZ 3.6Å; F509-F548 HydrophobicContact CD2-CE2 4.48Å; F509-F548 AromaticContact CD2-CZ 3.64Å; F509-F548 HydrophobicContact CD2-CZ 3.64Å; F509-F548 AromaticContact CE1-CE1 3.51Å; F509-F548 HydrophobicContact CE1-CE1 3.51Å; F509-F548 AromaticContact CE1-CZ 3.44Å; F509-F548 HydrophobicContact CE1-CZ 3.44Å; F509-F548 VanDerWaalsContact CE1-CZ 3.44Å; F509-F548 AromaticContact CE2-CE1 3.99Å; F509-F548 HydrophobicContact CE2-CE1 3.99Å; F509-F548 AromaticContact CE2-CZ 3.48Å; F509-F548 HydrophobicContact CE2-CZ 3.48Å; F509-F548 VanDerWaalsContact CE2-CZ 3.48Å; F509-F548 HydrophobicContact CG-CE2 4.46Å; F509-F548 AromaticContact CG-CZ 3.7Å; F509-F548 HydrophobicContact CG-CZ 3.7Å; F509-F548 AromaticContact CZ-CE1 3.43Å; F509-F548 HydrophobicContact CZ-CE1 3.43Å; F509-F548 VanDerWaalsContact CZ-CE1 3.43Å; F509-F548 AromaticContact CZ-CZ 3.38Å; F509-F548 HydrophobicContact CZ-CZ 3.38Å; W544-F548 HydrophobicContact CB-CD1 4.42Å; W544-F548 HydrophobicContact CB-CE1 3.69Å; W544-F548 HydrophobicContact CB-CE2 4.35Å; W544-F548 HydrophobicContact CB-CZ 3.64Å; W544-F548 HydrophobicContact CE3-CE1 4.38Å; W544-F548 VanDerWaalsContact O-CD1 3.32Å; W544-F548 WeakPolarHBondContact O-CD1 3.33Å; W544-F548 WeakPolarHBondContact O-CG 3.3Å; W544-F548 PolarHBondContact O-N 2.63Å; R545-F548 WeakPolarHBondContact O-CB 3.41Å; R545-F548 PolarHBondContact O-N 2.96Å; T546-F548 VanDerWaalsContact C-N 3.33Å; T546-F548 PolarHBondContact O-N 3.19Å; F548-E550 VanDerWaalsContact C-N 3.32Å; F548-E550 PolarHBondContact O-N 3.27Å; F548-I551 PolarHBondContact O-N 3.39Å; F548-I551 VanDerWaalsContact O-N 3.17Å; F548-E552 WeakPolarHBondContact O-CB 3.48Å; F548-E552 WeakPolarHBondContact O-CG 3.28Å; F548-E552 PolarHBondContact O-N 3.19Å; F548-F563 HydrophobicContact CB-CD2 4.08Å; F548-F563 HydrophobicContact CB-CE2 3.7Å; F548-F563 HydrophobicContact CB-CZ 4Å; F548-F563 HydrophobicContact CD1-CB 4.28Å; F548-F563 AromaticContact CD1-CD1 3.48Å; F548-F563 HydrophobicContact CD1-CD1 3.48Å; F548-F563 VanDerWaalsContact CD1-CD1 3.48Å; F548-F563 AromaticContact CD1-CD2 3.82Å; F548-F563 HydrophobicContact CD1-CD2 3.82Å; F548-F563 AromaticContact CD1-CE1 3.62Å; F548-F563 HydrophobicContact CD1-CE1 3.62Å; F548-F563 AromaticContact CD1-CE2 3.95Å; F548-F563 HydrophobicContact CD1-CE2 3.95Å; F548-F563 AromaticContact CD1-CG 3.57Å; F548-F563 HydrophobicContact CD1-CG 3.57Å; F548-F563 AromaticContact CD1-CZ 3.86Å; F548-F563 HydrophobicContact CD1-CZ 3.86Å; F548-F563 HydrophobicContact CD2-CD2 4.24Å; F548-F563 HydrophobicContact CD2-CG 4.45Å; F548-F563 HydrophobicContact CE1-CB 3.89Å; F548-F563 AromaticContact CE1-CD1 3.59Å; F548-F563 HydrophobicContact CE1-CD1 3.59Å; F548-F563 HydrophobicContact CE1-CD2 4.29Å; F548-F563 HydrophobicContact CE1-CE1 4.17Å; F548-F563 AromaticContact CE1-CG 3.65Å; F548-F563 HydrophobicContact CE1-CG 3.65Å; F548-F563 HydrophobicContact CE2-CB 4.39Å; F548-F563 HydrophobicContact CG-CD1 4.3Å; F548-F563 AromaticContact CG-CD2 3.79Å; F548-F563 HydrophobicContact CG-CD2 3.79Å; F548-F563 HydrophobicContact CG-CE1 4.39Å; F548-F563 AromaticContact CG-CE2 3.89Å; F548-F563 HydrophobicContact CG-CE2 3.89Å; F548-F563 HydrophobicContact CG-CG 4.01Å; F548-F563 HydrophobicContact CG-CZ 4.19Å; F548-F563 HydrophobicContact CZ-CB 3.95Å; F548-F563 HydrophobicContact CZ-CD1 4.48Å; F548-F563 HydrophobicContact CZ-CG 4.15Å
549	Q	87.2	Confident	89.3	Confident	93 Å²	93	75 Å²	75	44%	0.435	42%	0.415	S	S	.	.	H	α-helix	trans	-60.8	-40.1	177.5	-66.5	173.8	-11.3	0	0	112	R545 T546 G553	R545-Q549 PolarHBondContact O-N 3.26Å; T546-Q549 PolarHBondContact O-N 2.97Å; Q549-G553 PolarHBondContact O-N 2.8Å
550	E	90.5	Very high	89.2	Confident	136 Å²	136	73.9 Å²	73.9	64%	0.636	41%	0.405	S	S	*	.	H	α-helix	trans	-62.8	-43.6	174.5	-72.1	169.7	-168.8	0	0	112.5	T546 K547 F548 S554	T546-E550 WeakPolarHBondContact O-CG 3.4Å; T546-E550 PolarHBondContact O-N 3.31Å; K547-E550 PolarHBondContact O-N 3.03Å; F548-E550 VanDerWaalsContact C-N 3.32Å; F548-E550 PolarHBondContact O-N 3.27Å; E550-S554 PolarHBondContact O-N 3.41Å
551	I	91.1	Very high	89.2	Confident	39 Å²	39	67.6 Å²	67.6	20%	0.2	37%	0.371	C	S	.	.	H	α-helix	trans	-68.5	-50.3	179.6	-66	165.2	0	0	0	109.8	K547 F548 G553 S554 L555 I561 F563 M632	K547-I551 WeakPolarHBondContact O-CB 3.14Å; K547-I551 WeakPolarHBondContact O-CD1 3.45Å; K547-I551 WeakPolarHBondContact O-CG1 3.46Å; K547-I551 PolarHBondContact O-N 2.97Å; F548-I551 PolarHBondContact O-N 3.39Å; F548-I551 VanDerWaalsContact O-N 3.17Å; I551-G553 VanDerWaalsContact C-N 3.3Å; I551-G553 PolarHBondContact O-N 3.24Å; I551-S554 WeakPolarHBondContact O-CB 3.28Å; I551-S554 PolarHBondContact O-N 2.89Å; I551-S554 PolarHBondContact O-OG 3.3Å; I551-L555 PolarHBondContact O-N 3.33Å; I551-I561 HydrophobicContact CG2-CD1 3.59Å; I551-F563 HydrophobicContact CB-CZ 4.18Å; I551-F563 HydrophobicContact CD1-CE1 3.95Å; I551-F563 HydrophobicContact CD1-CZ 4.37Å; I551-F563 HydrophobicContact CG2-CE1 4.44Å; I551-F563 HydrophobicContact CG2-CZ 4.16Å; I551-M632 HydrophobicContact CG2-SD 4.18Å
552	E	88.8	Confident	89.2	Confident	100 Å²	100	67.5 Å²	67.5	47%	0.467	37%	0.372	S	S	.	.	H	α-helix	trans	-58	-42.7	178.3	-72.9	173.4	172.6	0	0	111.4	F548 S554 L555 I561 F563	F548-E552 WeakPolarHBondContact O-CB 3.48Å; F548-E552 WeakPolarHBondContact O-CG 3.28Å; F548-E552 PolarHBondContact O-N 3.19Å; E552-S554 PolarHBondContact O-N 2.62Å; E552-L555 PolarHBondContact O-N 2.72Å; E552-I561 HydrophobicContact CG-CD1 3.93Å; E552-F563 HydrophobicContact CG-CE2 4.02Å; E552-F563 HydrophobicContact CG-CZ 4.36Å; E552-F563 WeakPolarHBondContact OE1-CE2 3.08Å
553	G	85.9	Confident	89.4	Confident	71 Å²	71	67.4 Å²	67.4	73%	0.732	37%	0.369	S	S	*	.	H	α-helix	trans	-67.6	-15.2	176.9	0	0	0	0	0	114.9	Q549 I551	Q549-G553 PolarHBondContact O-N 2.8Å; I551-G553 VanDerWaalsContact C-N 3.3Å; I551-G553 PolarHBondContact O-N 3.24Å
554	S	88.9	Confident	89.5	Confident	88 Å²	88	62.9 Å²	62.9	62%	0.615	34%	0.34	S	S	*	.	H	α-helix	trans	-89.9	-13.5	176.8	77	0	0	0	0	114	E550 I551 E552	E550-S554 PolarHBondContact O-N 3.41Å; I551-S554 WeakPolarHBondContact O-CB 3.28Å; I551-S554 PolarHBondContact O-N 2.89Å; I551-S554 PolarHBondContact O-OG 3.3Å; E552-S554 PolarHBondContact O-N 2.62Å
555	L	87.3	Confident	89.7	Confident	55 Å²	55	60.9 Å²	60.9	29%	0.288	33%	0.332	S	S	.	.	S	Bend	trans	-95.4	157.6	-176.7	-63.4	-167.1	0	0	0	112.4	I551 E552 T559 I561 I634	I551-L555 PolarHBondContact O-N 3.33Å; E552-L555 PolarHBondContact O-N 2.72Å; L555-T559 HydrophobicContact CD1-CG2 3.73Å; L555-I561 HydrophobicContact CD1-CD1 3.2Å; L555-I561 HydrophobicContact CD1-CG1 3.4Å; L555-I561 HydrophobicContact CG-CD1 4.07Å; L555-I634 HydrophobicContact CD1-CG2 4.4Å
556	D	84.2	Confident	89.9	Confident	127 Å²	127	60.7 Å²	60.7	68%	0.679	33%	0.331	S	S	*	.			trans	-68.8	147.1	172.9	-64.4	-23.9	0	0	0	110.8	Q558 T559	D556-Q558 PolarHBondContact O-N 3.32Å; D556-T559 WeakPolarHBondContact O-CB 3.44Å; D556-T559 PolarHBondContact O-N 3.44Å
557	N	80.3	Confident	90.3	Very high	178 Å²	178	58.6 Å²	58.6	95%	0.952	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-12.5	-179.5	-66.6	-4.5	0	0	0	115.9
558	Q	82.9	Confident	90.4	Very high	71 Å²	71	56.6 Å²	56.6	33%	0.332	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-9.2	177.8	-50.7	-159.8	-56.9	0	0	112.9	D556 V636	D556-Q558 PolarHBondContact O-N 3.32Å; Q558-V636 HydrophobicContact CB-CG1 4.4Å
559	T	88.5	Confident	90.5	Very high	34 Å²	34	59 Å²	59	21%	0.209	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	123.6	-176.8	-48.5	0	0	0	0	109	L555 D556 I634 V636	L555-T559 HydrophobicContact CD1-CG2 3.73Å; D556-T559 WeakPolarHBondContact O-CB 3.44Å; D556-T559 PolarHBondContact O-N 3.44Å; T559-I634 HydrophobicContact CG2-CG2 3.38Å; T559-V636 HydrophobicContact CG2-CG2 4.4Å
560	E	89.1	Confident	90.8	Very high	57 Å²	57	55 Å²	55	27%	0.266	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	146.3	174.3	-72.6	177.7	-145.7	0	0	109.9	Y635	E560-Y635 HydrophobicContact CB-CD2 4.08Å; E560-Y635 HydrophobicContact CB-CE1 4.27Å; E560-Y635 HydrophobicContact CB-CE2 3.51Å; E560-Y635 HydrophobicContact CG-CE2 4.18Å; E560-Y635 PolarHBondContact N-O 3.44Å; E560-Y635 PolarHBondContact O-N 3.06Å; E560-Y635 WeakPolarHBondContact OE2-CE2 3.4Å; E560-Y635 VanDerWaalsContact OE2-CZ 3.24Å; E560-Y635 PolarHBondContact OE2-OH 3.23Å
561	I	92.3	Very high	91	Very high	24 Å²	24	51.5 Å²	51.5	12%	0.123	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	141.1	177	-44.3	178.3	0	0	0	109	I551 E552 L555 F563 M632 Y633	I551-I561 HydrophobicContact CG2-CD1 3.59Å; E552-I561 HydrophobicContact CG-CD1 3.93Å; L555-I561 HydrophobicContact CD1-CD1 3.2Å; L555-I561 HydrophobicContact CD1-CG1 3.4Å; L555-I561 HydrophobicContact CG-CD1 4.07Å; I561-F563 HydrophobicContact CB-CE2 4.19Å; I561-F563 HydrophobicContact CB-CZ 4.28Å; I561-F563 HydrophobicContact CD1-CZ 4.03Å; I561-F563 HydrophobicContact CG2-CD1 4.29Å; I561-F563 HydrophobicContact CG2-CD2 4.25Å; I561-F563 HydrophobicContact CG2-CE1 3.87Å; I561-F563 HydrophobicContact CG2-CE2 3.81Å; I561-F563 HydrophobicContact CG2-CG 4.47Å; I561-F563 HydrophobicContact CG2-CZ 3.61Å; I561-M632 HydrophobicContact CG2-CB 3.87Å; I561-M632 HydrophobicContact CG2-CG 4.41Å; I561-M632 HydrophobicContact CG2-SD 4.03Å; I561-Y633 CarbonylContact C-O 3.49Å; I561-Y633 VanDerWaalsContact CA-O 3.27Å; I561-Y633 WeakPolarHBondContact CA-O 3.46Å; I561-Y633 WeakPolarHBondContact CG2-O 3.36Å
562	V	93.2	Very high	91.1	Very high	20 Å²	20	50 Å²	50	12%	0.121	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	118.5	163.2	-172.6	0	0	0	0	111.2	Q441 Q510 I564 M632 Y633 Y635	Q441-V562 HydrophobicContact CG-CG1 4.39Å; Q510-V562 HydrophobicContact CG-CG1 3.87Å; V562-I564 HydrophobicContact CG1-CG1 4.19Å; V562-M632 VanDerWaalsContact O-CA 3.26Å; V562-M632 WeakPolarHBondContact O-CA 3.37Å; V562-Y633 PolarHBondContact N-O 3.44Å; V562-Y633 PolarHBondContact O-N 3.23Å; V562-Y635 HydrophobicContact CG2-CE1 4.09Å
563	F	95.8	Very high	91.1	Very high	14 Å²	14	47.7 Å²	47.7	6%	0.061	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	123.9	176.8	-59.2	-78.2	0	0	0	110.9	F509 Q510 F548 I551 E552 I561 L588 M632	F509-F563 HydrophobicContact CD1-CB 3.69Å; F509-F563 HydrophobicContact CE1-CB 3.9Å; Q510-F563 WeakPolarHBondContact CB-O 3.2Å; Q510-F563 PolarHBondContact N-O 2.94Å; F548-F563 HydrophobicContact CB-CD2 4.08Å; F548-F563 HydrophobicContact CB-CE2 3.7Å; F548-F563 HydrophobicContact CB-CZ 4Å; F548-F563 HydrophobicContact CD1-CB 4.28Å; F548-F563 AromaticContact CD1-CD1 3.48Å; F548-F563 HydrophobicContact CD1-CD1 3.48Å; F548-F563 VanDerWaalsContact CD1-CD1 3.48Å; F548-F563 AromaticContact CD1-CD2 3.82Å; F548-F563 HydrophobicContact CD1-CD2 3.82Å; F548-F563 AromaticContact CD1-CE1 3.62Å; F548-F563 HydrophobicContact CD1-CE1 3.62Å; F548-F563 AromaticContact CD1-CE2 3.95Å; F548-F563 HydrophobicContact CD1-CE2 3.95Å; F548-F563 AromaticContact CD1-CG 3.57Å; F548-F563 HydrophobicContact CD1-CG 3.57Å; F548-F563 AromaticContact CD1-CZ 3.86Å; F548-F563 HydrophobicContact CD1-CZ 3.86Å; F548-F563 HydrophobicContact CD2-CD2 4.24Å; F548-F563 HydrophobicContact CD2-CG 4.45Å; F548-F563 HydrophobicContact CE1-CB 3.89Å; F548-F563 AromaticContact CE1-CD1 3.59Å; F548-F563 HydrophobicContact CE1-CD1 3.59Å; F548-F563 HydrophobicContact CE1-CD2 4.29Å; F548-F563 HydrophobicContact CE1-CE1 4.17Å; F548-F563 AromaticContact CE1-CG 3.65Å; F548-F563 HydrophobicContact CE1-CG 3.65Å; F548-F563 HydrophobicContact CE2-CB 4.39Å; F548-F563 HydrophobicContact CG-CD1 4.3Å; F548-F563 AromaticContact CG-CD2 3.79Å; F548-F563 HydrophobicContact CG-CD2 3.79Å; F548-F563 HydrophobicContact CG-CE1 4.39Å; F548-F563 AromaticContact CG-CE2 3.89Å; F548-F563 HydrophobicContact CG-CE2 3.89Å; F548-F563 HydrophobicContact CG-CG 4.01Å; F548-F563 HydrophobicContact CG-CZ 4.19Å; F548-F563 HydrophobicContact CZ-CB 3.95Å; F548-F563 HydrophobicContact CZ-CD1 4.48Å; F548-F563 HydrophobicContact CZ-CG 4.15Å; I551-F563 HydrophobicContact CB-CZ 4.18Å; I551-F563 HydrophobicContact CD1-CE1 3.95Å; I551-F563 HydrophobicContact CD1-CZ 4.37Å; I551-F563 HydrophobicContact CG2-CE1 4.44Å; I551-F563 HydrophobicContact CG2-CZ 4.16Å; E552-F563 HydrophobicContact CG-CE2 4.02Å; E552-F563 HydrophobicContact CG-CZ 4.36Å; E552-F563 WeakPolarHBondContact OE1-CE2 3.08Å; I561-F563 HydrophobicContact CB-CE2 4.19Å; I561-F563 HydrophobicContact CB-CZ 4.28Å; I561-F563 HydrophobicContact CD1-CZ 4.03Å; I561-F563 HydrophobicContact CG2-CD1 4.29Å; I561-F563 HydrophobicContact CG2-CD2 4.25Å; I561-F563 HydrophobicContact CG2-CE1 3.87Å; I561-F563 HydrophobicContact CG2-CE2 3.81Å; I561-F563 HydrophobicContact CG2-CG 4.47Å; I561-F563 HydrophobicContact CG2-CZ 3.61Å; F563-L588 HydrophobicContact CD1-CD1 3.9Å; F563-L588 HydrophobicContact CE1-CD1 4.33Å; F563-M632 HydrophobicContact CD1-CB 3.86Å; F563-M632 HydrophobicContact CD1-SD 4.37Å; F563-M632 HydrophobicContact CE1-CB 4.14Å; F563-M632 HydrophobicContact CE1-SD 3.75Å
564	I	96.2	Very high	91.3	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	139.6	-176.5	-57.8	-171.5	0	0	0	110.8	W502 Q510 V562 L572 C630 Y631 Y633	W502-I564 HydrophobicContact CE3-CG2 3.94Å; W502-I564 HydrophobicContact CH2-CG2 3.72Å; W502-I564 HydrophobicContact CZ3-CG2 3.21Å; Q510-I564 HydrophobicContact CB-CG1 4.33Å; Q510-I564 WeakPolarHBondContact O-CA 3.48Å; V562-I564 HydrophobicContact CG1-CG1 4.19Å; I564-L572 HydrophobicContact CD1-CD2 4.15Å; I564-C630 CarbonylContact O-C 3.58Å; I564-C630 VanDerWaalsContact O-CA 3.29Å; I564-C630 WeakPolarHBondContact O-CA 3.26Å; I564-Y631 HydrophobicContact CB-CD2 4.14Å; I564-Y631 HydrophobicContact CB-CE1 4.23Å; I564-Y631 HydrophobicContact CB-CE2 3.81Å; I564-Y631 HydrophobicContact CB-CG 4.5Å; I564-Y631 HydrophobicContact CD1-CE2 3.93Å; I564-Y631 HydrophobicContact CG1-CE2 4.35Å; I564-Y631 HydrophobicContact CG2-CE1 3.85Å; I564-Y631 HydrophobicContact CG2-CE2 3.93Å; I564-Y631 VanDerWaalsContact CG2-CZ 3.47Å; I564-Y631 WeakPolarHBondContact CG2-OH 3.21Å; I564-Y631 PolarHBondContact N-O 3.31Å; I564-Y631 PolarHBondContact O-N 2.63Å; I564-Y631 VanDerWaalsContact O-O 3.09Å; I564-Y633 HydrophobicContact CD1-CD2 3.57Å; I564-Y633 HydrophobicContact CD1-CE2 3.5Å; I564-Y633 HydrophobicContact CG1-CD2 4.42Å
565	A	96.8	Very high	91.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	121.9	165.3	0	0	0	0	0	109.3	F509 Q510 Q511 L538 L541 S629	F509-A565 HydrophobicContact CB-CB 3.58Å; F509-A565 HydrophobicContact CD1-CB 4.16Å; F509-A565 HydrophobicContact CD2-CB 4.15Å; F509-A565 HydrophobicContact CG-CB 3.73Å; Q510-A565 PolarHBondContact O-N 2.95Å; Q511-A565 WeakPolarHBondContact CA-O 3.36Å; Q511-A565 VanDerWaalsContact CB-O 3.31Å; Q511-A565 WeakPolarHBondContact CB-O 3.34Å; L538-A565 HydrophobicContact CD1-CB 3.82Å; L541-A565 HydrophobicContact CD1-CB 3.82Å; A565-S629 WeakPolarHBondContact CA-O 3.42Å
566	D	95.9	Very high	91.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	154.3	-178.8	-162.6	17.1	0	0	0	112.4	W502 R512 T623 P628 S629 Y631	W502-D566 HydrophobicContact CH2-CB 3.76Å; W502-D566 HydrophobicContact CZ3-CB 4.27Å; R512-D566 IonicContact CZ-OD1 3.56Å; R512-D566 IonicContact CZ-OD2 3.7Å; R512-D566 IonicContact NH1-OD1 3.19Å; R512-D566 PolarHBondContact NH1-OD1 2.84Å; R512-D566 IonicContact NH1-OD2 3.48Å; R512-D566 PolarHBondContact NH1-OD2 3.5Å; D566-T623 WeakPolarHBondContact CB-OG1 3.34Å; D566-P628 CarbonylContact O-C 3.58Å; D566-P628 WeakPolarHBondContact O-CA 3.3Å; D566-P628 WeakPolarHBondContact O-CB 3.42Å; D566-S629 PolarHBondContact N-O 3.45Å; D566-S629 PolarHBondContact O-N 3.45Å; D566-Y631 HydrophobicContact CB-CE1 4.16Å
567	F	96.5	Very high	91.6	Very high	19 Å²	19	40 Å²	40	8%	0.083	22%	0.223	C	C	.	.			trans	-85.7	150.4	-173.5	-61.6	-91.8	0	0	0	112.2	R512 M535 P536 L538 G569 L570 T623	R512-F567 HydrophobicContact CB-CD2 4.48Å; R512-F567 HydrophobicContact CB-CE2 4.3Å; M535-F567 HydrophobicContact CB-CE2 3.89Å; M535-F567 HydrophobicContact CB-CZ 3.87Å; M535-F567 HydrophobicContact CE-CB 3.87Å; M535-F567 HydrophobicContact CE-CD1 3.69Å; M535-F567 HydrophobicContact CE-CD2 3.28Å; M535-F567 HydrophobicContact CE-CE1 4.01Å; M535-F567 HydrophobicContact CE-CE2 3.63Å; M535-F567 HydrophobicContact CE-CG 3.31Å; M535-F567 HydrophobicContact CE-CZ 3.99Å; M535-F567 HydrophobicContact CG-CE2 4.24Å; P536-F567 HydrophobicContact CG-CE1 3.97Å; P536-F567 HydrophobicContact CG-CZ 4.48Å; P536-F567 WeakPolarHBondContact O-CZ 3.46Å; L538-F567 HydrophobicContact CD1-CE1 4.27Å; L538-F567 HydrophobicContact CD1-CZ 4.2Å; L538-F567 HydrophobicContact CD2-CE1 3.79Å; L538-F567 HydrophobicContact CD2-CZ 4.31Å; L538-F567 HydrophobicContact CG-CE1 4.05Å; L538-F567 HydrophobicContact CG-CZ 4.06Å; F567-G569 PolarHBondContact O-N 3.4Å; F567-L570 HydrophobicContact CB-CD1 3.83Å; F567-L570 HydrophobicContact CB-CG 4.27Å; F567-L570 HydrophobicContact CD2-CD1 4.28Å; F567-L570 HydrophobicContact CG-CD1 4.5Å; F567-L570 WeakPolarHBondContact O-CB 3.38Å; F567-L570 PolarHBondContact O-N 3.48Å; F567-T623 WeakPolarHBondContact O-CB 3.43Å
568	P	95.5	Very high	92	Very high	51 Å²	51	38.6 Å²	38.6	33%	0.331	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	134	176.6	-28.9	34.9	0	0	0	114.2	L570 S625 E626	P568-L570 PolarHBondContact O-N 2.92Å; P568-S625 WeakPolarHBondContact CB-O 3.35Å; P568-E626 WeakPolarHBondContact CG-O 3.33Å
569	G	93.3	Very high	92.2	Very high	62 Å²	62	38.8 Å²	38.8	64%	0.639	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.3	7.5	175.9	0	0	0	0	0	114.7	F567 T623	F567-G569 PolarHBondContact O-N 3.4Å; G569-T623 PolarHBondContact N-O 2.92Å
570	L	94.9	Very high	92.2	Very high	7 Å²	7	39 Å²	39	4%	0.037	21%	0.213	C	C	.	.			trans	-94.6	163.5	168.9	-58.5	-175.7	0	0	0	111.8	P516 R517 M535 F567 P568 T623	P516-L570 HydrophobicContact CG-CD1 4.44Å; P516-L570 HydrophobicContact CG-CD2 4.28Å; R517-L570 HydrophobicContact CG-CD2 4.22Å; M535-L570 HydrophobicContact CE-CD1 4.29Å; F567-L570 HydrophobicContact CB-CD1 3.83Å; F567-L570 HydrophobicContact CB-CG 4.27Å; F567-L570 HydrophobicContact CD2-CD1 4.28Å; F567-L570 HydrophobicContact CG-CD1 4.5Å; F567-L570 WeakPolarHBondContact O-CB 3.38Å; F567-L570 PolarHBondContact O-N 3.48Å; P568-L570 PolarHBondContact O-N 2.92Å; L570-T623 PolarHBondContact O-N 3.48Å
571	L	93.6	Very high	92	Very high	64 Å²	64	37.2 Å²	37.2	34%	0.335	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	129.7	-174.3	148.1	68.6	0	0	0	108.2	R512 K620 V621 Y622	R512-L571 PolarHBondContact NH2-O 3.32Å; L571-K620 HydrophobicContact CD1-CB 3.49Å; L571-K620 VanDerWaalsContact CD1-CB 3.49Å; L571-K620 HydrophobicContact CD1-CD 4.16Å; L571-K620 HydrophobicContact CD1-CG 3.8Å; L571-V621 CarbonylContact C-O 3.55Å; L571-V621 VanDerWaalsContact CA-O 3.32Å; L571-V621 WeakPolarHBondContact CA-O 3.44Å; L571-Y622 HydrophobicContact CB-CD1 3.92Å; L571-Y622 HydrophobicContact CB-CE1 4.06Å; L571-Y622 HydrophobicContact CD1-CD1 4.15Å; L571-Y622 HydrophobicContact CD1-CE1 3.89Å; L571-Y622 HydrophobicContact CD1-CE2 4.36Å; L571-Y622 HydrophobicContact CD1-CG 4.5Å; L571-Y622 HydrophobicContact CD2-CE1 3.92Å; L571-Y622 HydrophobicContact CG-CD1 4.45Å; L571-Y622 HydrophobicContact CG-CE1 4.18Å
572	L	92.5	Very high	91.8	Very high	7 Å²	7	41.4 Å²	41.4	4%	0.037	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	115.1	164.7	175.4	61.4	0	0	0	109.3	W502 I564 N574 K620 V621 Y633	W502-L572 HydrophobicContact CH2-CD2 4.48Å; W502-L572 HydrophobicContact CZ2-CB 4.09Å; W502-L572 HydrophobicContact CZ2-CD1 3.83Å; W502-L572 HydrophobicContact CZ2-CD2 4.14Å; W502-L572 HydrophobicContact CZ2-CG 4.23Å; I564-L572 HydrophobicContact CD1-CD2 4.15Å; L572-N574 HydrophobicContact CG-CB 4.41Å; L572-K620 CarbonylContact O-C 3.6Å; L572-K620 WeakPolarHBondContact O-CA 3.25Å; L572-V621 HydrophobicContact CB-CB 4.48Å; L572-V621 PolarHBondContact N-O 3.47Å; L572-V621 PolarHBondContact O-N 2.91Å; L572-Y633 HydrophobicContact CD2-CE2 4.21Å
573	E	90.3	Very high	91.8	Very high	51 Å²	51	40.8 Å²	40.8	24%	0.238	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	121.8	166.8	178.8	-177.3	-105.9	0	0	108.5	K444 Y618 H619 K620	K444-E573 IonicContact NZ-OE2 3.84Å; K444-E573 PolarHBondContact NZ-OE2 3.04Å; E573-Y618 HydrophobicContact CG-CD1 4.18Å; E573-H619 WeakPolarHBondContact CA-O 3.47Å; E573-K620 HydrophobicContact CB-CG 4.24Å; E573-K620 HydrophobicContact CG-CG 4.24Å; E573-K620 VanDerWaalsContact OE1-CE 3.24Å; E573-K620 WeakPolarHBondContact OE1-CE 3.36Å
574	N	89.3	Confident	91.8	Very high	48 Å²	48	40.3 Å²	40.3	26%	0.257	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	153.5	-179.3	-165.6	24	0	0	0	110.8	L572 Y618 H619	L572-N574 HydrophobicContact CG-CB 4.41Å; N574-Y618 WeakPolarHBondContact O-CA 3.25Å; N574-H619 PolarHBondContact N-O 3.44Å; N574-H619 PolarHBondContact O-N 2.9Å; N574-H619 PolarHBondContact O-ND1 2.95Å
575	Y	88.9	Confident	91.8	Very high	90 Å²	90	40.3 Å²	40.3	35%	0.353	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	128.1	175.1	179.7	-102.3	0	0	0	108.9	G616 Y618	Y575-G616 WeakPolarHBondContact CE2-O 3.42Å; Y575-G616 WeakPolarHBondContact OH-CA 3.42Å; Y575-G616 PolarHBondContact OH-O 3.49Å; Y575-Y618 HydrophobicContact CD2-CD1 4.29Å; Y575-Y618 AromaticContact CD2-CD2 3.66Å; Y575-Y618 HydrophobicContact CD2-CD2 3.66Å; Y575-Y618 HydrophobicContact CD2-CE1 4.18Å; Y575-Y618 AromaticContact CD2-CE2 3.5Å; Y575-Y618 HydrophobicContact CD2-CE2 3.5Å; Y575-Y618 HydrophobicContact CD2-CG 4.04Å; Y575-Y618 AromaticContact CD2-CZ 3.78Å; Y575-Y618 HydrophobicContact CE2-CD2 4.29Å; Y575-Y618 HydrophobicContact CE2-CE2 4.08Å; Y575-Y618 HydrophobicContact CG-CE1 4.34Å; Y575-Y618 HydrophobicContact CG-CE2 4.33Å
576	V	89.2	Confident	91.7	Very high	4 Å²	4	42.4 Å²	42.4	2%	0.024	24%	0.237	C	C	.	.			trans	-88	113.7	173.3	-177.1	0	0	0	0	107.9	L580 T583 L613 G616 A617	V576-L580 HydrophobicContact CG1-CB 4.17Å; V576-T583 HydrophobicContact CG1-CG2 3.85Å; V576-T583 WeakPolarHBondContact CG1-OG1 3.38Å; V576-T583 HydrophobicContact CG2-CG2 4.04Å; V576-L613 HydrophobicContact CG2-CB 4.23Å; V576-L613 HydrophobicContact CG2-CD1 4.39Å; V576-G616 WeakPolarHBondContact O-CA 3.35Å; V576-G616 PolarHBondContact O-N 3.32Å; V576-A617 PolarHBondContact N-O 3.44Å
577	S	88.7	Confident	91.8	Very high	39 Å²	39	42.4 Å²	42.4	27%	0.273	24%	0.237	S	C	.	.			trans	-59.1	149.4	176.1	-166.6	0	0	0	0	111	D579 L580	S577-D579 PolarHBondContact O-N 2.92Å; S577-D579 PolarHBondContact OG-N 3.35Å; S577-D579 PolarHBondContact OG-OD2 2.73Å; S577-L580 PolarHBondContact O-N 2.95Å
578	E	89.2	Confident	91.8	Very high	148 Å²	148	42.9 Å²	42.9	69%	0.692	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-24	171.9	-64.7	-176.3	177.9	0	0	112.1	L580	E578-L580 PolarHBondContact O-N 3.25Å
579	D	87.3	Confident	91.8	Very high	74 Å²	74	44.6 Å²	44.6	40%	0.396	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-18.3	175	-56.7	-65.2	0	0	0	113.5	S577 T638 T639	S577-D579 PolarHBondContact O-N 2.92Å; S577-D579 PolarHBondContact OG-N 3.35Å; S577-D579 PolarHBondContact OG-OD2 2.73Å; D579-T638 WeakPolarHBondContact O-CB 3.41Å; D579-T638 PolarHBondContact O-N 2.89Å; D579-T638 PolarHBondContact O-OG1 3.35Å; D579-T639 WeakPolarHBondContact CB-OG1 3.44Å; D579-T639 PolarHBondContact OD1-OG1 3.32Å
580	L	88	Confident	91.8	Very high	40 Å²	40	42.7 Å²	42.7	21%	0.209	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	112	-178.2	-57.9	-176.4	0	0	0	110	V576 S577 E578 T583 Y635 N637	V576-L580 HydrophobicContact CG1-CB 4.17Å; S577-L580 PolarHBondContact O-N 2.95Å; E578-L580 PolarHBondContact O-N 3.25Å; L580-T583 PolarHBondContact O-OG1 3.4Å; L580-Y635 HydrophobicContact CD1-CD2 4.27Å; L580-Y635 HydrophobicContact CD1-CG 4.42Å; L580-Y635 HydrophobicContact CD2-CD2 3.68Å; L580-Y635 HydrophobicContact CD2-CE2 3.99Å; L580-Y635 HydrophobicContact CG-CD2 4.42Å; L580-N637 HydrophobicContact CD2-CB 4.46Å
581	G	85.5	Confident	91.8	Very high	18 Å²	18	45.2 Å²	45.2	19%	0.186	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	152.6	177.8	0	0	0	0	0	112.4	T583 V636	G581-T583 PolarHBondContact O-N 3.2Å; G581-T583 VanDerWaalsContact O-N 3.15Å; G581-V636 PolarHBondContact N-O 3.01Å; G581-V636 PolarHBondContact O-N 3.03Å
582	N	88.1	Confident	92	Very high	112 Å²	112	42.2 Å²	42.2	60%	0.599	22%	0.22	S	C	*	.	E	Extended strand (participates in β ladder)	trans	54.2	33.1	175.8	-161.1	28.1	0	0	0	113.6	S584 Q612	N582-S584 PolarHBondContact O-N 2.95Å; N582-Q612 PolarHBondContact OD1-NE2 3.49Å
583	T	93.3	Very high	92.1	Very high	7 Å²	7	43.3 Å²	43.3	4%	0.043	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	119.6	-178	-56.1	0	0	0	0	110.3	V576 L580 G581 Q612 L613 I634	V576-T583 HydrophobicContact CG1-CG2 3.85Å; V576-T583 WeakPolarHBondContact CG1-OG1 3.38Å; V576-T583 HydrophobicContact CG2-CG2 4.04Å; L580-T583 PolarHBondContact O-OG1 3.4Å; G581-T583 PolarHBondContact O-N 3.2Å; G581-T583 VanDerWaalsContact O-N 3.15Å; T583-Q612 PolarHBondContact O-OE1 3.2Å; T583-L613 HydrophobicContact CG2-CB 4.39Å; T583-L613 HydrophobicContact CG2-CD1 4.28Å; T583-L613 WeakPolarHBondContact O-CB 3.49Å; T583-L613 PolarHBondContact O-N 2.85Å; T583-I634 CarbonylContact C-O 3.59Å; T583-I634 VanDerWaalsContact CA-O 3.3Å; T583-I634 WeakPolarHBondContact CA-O 3.18Å
584	S	94.7	Very high	92.4	Very high	5 Å²	5	40.9 Å²	40.9	4%	0.035	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	154	177.3	63.1	0	0	0	0	111.6	N582 K611 Y633 I634	N582-S584 PolarHBondContact O-N 2.95Å; S584-K611 VanDerWaalsContact CA-O 3.31Å; S584-K611 WeakPolarHBondContact CA-O 3.23Å; S584-Y633 WeakPolarHBondContact O-CA 3.37Å; S584-I634 PolarHBondContact N-O 2.88Å; S584-I634 PolarHBondContact O-N 3.14Å
585	V	95.7	Very high	92.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	128.5	169.9	62.4	0	0	0	0	108.9	L592 V594 L605 Q610 K611 L613 Y631 M632 Y633	V585-L592 HydrophobicContact CG2-CD1 4.46Å; V585-V594 HydrophobicContact CG1-CG1 4.38Å; V585-V594 HydrophobicContact CG1-CG2 4.02Å; V585-L605 HydrophobicContact CG1-CD1 4.12Å; V585-Q610 CarbonylContact O-C 3.58Å; V585-Q610 VanDerWaalsContact O-CA 3.29Å; V585-Q610 WeakPolarHBondContact O-CA 3.15Å; V585-K611 HydrophobicContact CG1-CB 4.11Å; V585-K611 PolarHBondContact N-O 3Å; V585-K611 PolarHBondContact O-N 3.41Å; V585-L613 HydrophobicContact CB-CD1 4.21Å; V585-L613 HydrophobicContact CG1-CD1 4.22Å; V585-L613 HydrophobicContact CG1-CD2 4.18Å; V585-L613 HydrophobicContact CG1-CG 4.31Å; V585-Y631 HydrophobicContact CG2-CD2 3.84Å; V585-M632 WeakPolarHBondContact CA-O 3.3Å; V585-Y633 HydrophobicContact CB-CD1 4.31Å; V585-Y633 HydrophobicContact CB-CE1 4.09Å; V585-Y633 HydrophobicContact CG2-CE1 4.31Å
586	Q	96.2	Very high	92.8	Very high	44 Å²	44	36.2 Å²	36.2	21%	0.206	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	133.2	177.8	-175.5	173.9	7.2	0	0	110.8	G608 E609 Q610 Y631 M632	Q586-G608 PolarHBondContact NE2-O 3.15Å; Q586-E609 WeakPolarHBondContact CA-O 3.42Å; Q586-Q610 HydrophobicContact CB-CB 4Å; Q586-Q610 HydrophobicContact CG-CB 4.08Å; Q586-Y631 CarbonylContact O-C 3.27Å; Q586-Y631 WeakPolarHBondContact O-CA 3.43Å; Q586-Y631 VanDerWaalsContact O-CB 3.22Å; Q586-Y631 WeakPolarHBondContact O-CB 3.31Å; Q586-M632 HydrophobicContact CB-CE 4.02Å; Q586-M632 HydrophobicContact CB-CG 4.17Å; Q586-M632 HydrophobicContact CG-CE 4.15Å; Q586-M632 PolarHBondContact N-O 3.11Å; Q586-M632 PolarHBondContact O-N 3.37Å
587	V	96.9	Very high	92.8	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	128.1	177.8	-174.1	0	0	0	0	109.7	L592 L605 Q606 P607 G608 E609	V587-L592 HydrophobicContact CG2-CB 4.19Å; V587-L592 HydrophobicContact CG2-CD1 3.84Å; V587-L592 HydrophobicContact CG2-CG 3.98Å; V587-L605 HydrophobicContact CG2-CB 3.44Å; V587-L605 VanDerWaalsContact CG2-CB 3.44Å; V587-L605 HydrophobicContact CG2-CD1 4.29Å; V587-Q606 WeakPolarHBondContact CB-O 3.3Å; V587-P607 HydrophobicContact CG1-CG 4.43Å; V587-G608 PolarHBondContact O-N 2.76Å; V587-E609 PolarHBondContact N-O 3.06Å
588	L	95.9	Very high	92.5	Very high	29 Å²	29	41.8 Å²	41.8	15%	0.152	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	-41.6	175.1	-60.1	175.4	0	0	0	111.2	F509 W544 F563 C630 M632	F509-L588 HydrophobicContact CE1-CD1 4.08Å; F509-L588 HydrophobicContact CZ-CD1 4.38Å; W544-L588 HydrophobicContact CH2-CB 4.07Å; W544-L588 HydrophobicContact CZ3-CB 4.24Å; F563-L588 HydrophobicContact CD1-CD1 3.9Å; F563-L588 HydrophobicContact CE1-CD1 4.33Å; L588-C630 WeakPolarHBondContact CA-O 3.49Å; L588-C630 HydrophobicContact CB-CB 4.25Å; L588-C630 WeakPolarHBondContact CB-O 3.28Å; L588-C630 PolarHBondContact N-O 3.35Å; L588-M632 HydrophobicContact CD1-CB 4.31Å; L588-M632 HydrophobicContact CD1-CG 4.4Å; L588-M632 HydrophobicContact CD2-CE 4.03Å; L588-M632 HydrophobicContact CD2-CG 4.3Å; L588-M632 HydrophobicContact CD2-SD 4.09Å; L588-M632 HydrophobicContact CG-CG 4.4Å
589	Q	95.5	Very high	92.4	Very high	86 Å²	86	38.9 Å²	38.9	40%	0.402	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	147.8	179.8	-177	177.1	-20.6	0	0	110	W544 S629 C630	W544-Q589 HydrophobicContact CZ2-CB 4.32Å; Q589-S629 CarbonylContact O-C 3.59Å; Q589-S629 WeakPolarHBondContact O-CA 3.39Å; Q589-C630 HydrophobicContact CB-CB 4.04Å; Q589-C630 PolarHBondContact N-O 2.88Å; Q589-C630 PolarHBondContact O-N 3.01Å; Q589-C630 VanDerWaalsContact O-O 3.11Å
590	G	94.6	Very high	92.4	Very high	22 Å²	22	44 Å²	44	23%	0.227	23%	0.228	C	C	.	.	S	Bend	trans	85.4	-156.8	-177.7	0	0	0	0	0	112.4	P607	G590-P607 VanDerWaalsContact O-CD 3.28Å; G590-P607 WeakPolarHBondContact O-CD 3.5Å; G590-P607 VanDerWaalsContact O-CG 3.29Å; G590-P607 WeakPolarHBondContact O-CG 3.23Å
591	Q	95.4	Very high	92.4	Very high	61 Å²	61	47 Å²	47	29%	0.285	24%	0.239	S	C	.	.			trans	-142.6	131.2	-175.7	-170	-177.6	12.9	0	0	109.7	T604 V624 S629	Q591-T604 HydrophobicContact CG-CG2 4.05Å; Q591-V624 HydrophobicContact CB-CG2 3.93Å; Q591-V624 HydrophobicContact CG-CG2 3.72Å; Q591-V624 VanDerWaalsContact O-CG2 3.23Å; Q591-V624 WeakPolarHBondContact O-CG2 3.36Å; Q591-V624 PolarHBondContact O-N 3.3Å; Q591-S629 PolarHBondContact N-OG 2.98Å; Q591-S629 PolarHBondContact O-OG 2.99Å; Q591-S629 VanDerWaalsContact O-OG 3.06Å
592	L	96	Very high	92.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	148.8	-180	-62.1	-176.6	0	0	0	111.2	V585 V587 V594 T604 L605 V621 Y622 S629 Y631	V585-L592 HydrophobicContact CG2-CD1 4.46Å; V587-L592 HydrophobicContact CG2-CB 4.19Å; V587-L592 HydrophobicContact CG2-CD1 3.84Å; V587-L592 HydrophobicContact CG2-CG 3.98Å; L592-V594 HydrophobicContact CB-CG2 4.47Å; L592-T604 CarbonylContact O-C 3.53Å; L592-T604 WeakPolarHBondContact O-CA 3.26Å; L592-L605 PolarHBondContact N-O 2.97Å; L592-L605 VanDerWaalsContact N-O 3.16Å; L592-L605 PolarHBondContact O-N 2.93Å; L592-V621 HydrophobicContact CB-CG1 4.36Å; L592-V621 HydrophobicContact CD1-CG1 3.75Å; L592-V621 HydrophobicContact CD2-CG1 3.9Å; L592-V621 HydrophobicContact CG-CG1 4.24Å; L592-Y622 WeakPolarHBondContact CA-O 3.44Å; L592-S629 VanDerWaalsContact CD2-CB 3.44Å; L592-Y631 HydrophobicContact CD1-CD1 3.59Å; L592-Y631 HydrophobicContact CD1-CD2 4.13Å; L592-Y631 HydrophobicContact CD1-CE1 4.23Å; L592-Y631 HydrophobicContact CD1-CG 3.52Å; L592-Y631 HydrophobicContact CD2-CD1 3.92Å; L592-Y631 HydrophobicContact CD2-CE1 4.09Å; L592-Y631 HydrophobicContact CG-CD1 4.29Å
593	N	96.2	Very high	93	Very high	30 Å²	30	48.2 Å²	48.2	16%	0.16	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	122.5	160.4	-176.5	27.8	0	0	0	108.7	Y603 Y622 V624	N593-Y603 CarbonylContact C-O 3.53Å; N593-Y603 WeakPolarHBondContact CA-O 3.4Å; N593-Y603 PolarHBondContact OD1-N 2.9Å; N593-Y603 PolarHBondContact OD1-O 3.11Å; N593-Y622 PolarHBondContact N-O 2.89Å; N593-Y622 WeakPolarHBondContact O-CD2 3.35Å; N593-Y622 PolarHBondContact O-N 3.4Å; N593-V624 HydrophobicContact CB-CG1 4.03Å
594	V	95.6	Very high	93.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	114	-177.6	-177.6	0	0	0	0	108.7	V585 L592 N602 Y603 L605 L613 K620 V621	V585-V594 HydrophobicContact CG1-CG1 4.38Å; V585-V594 HydrophobicContact CG1-CG2 4.02Å; L592-V594 HydrophobicContact CB-CG2 4.47Å; V594-N602 CarbonylContact O-C 3.55Å; V594-N602 WeakPolarHBondContact O-CA 3.1Å; V594-Y603 PolarHBondContact N-O 3.04Å; V594-Y603 PolarHBondContact O-N 3.14Å; V594-L605 HydrophobicContact CG2-CD1 3.64Å; V594-L605 HydrophobicContact CG2-CG 4.32Å; V594-L613 HydrophobicContact CG1-CD2 3.96Å; V594-K620 CarbonylContact C-O 3.58Å; V594-K620 WeakPolarHBondContact CA-O 3.43Å; V594-V621 HydrophobicContact CG2-CG2 4.41Å
595	E	94.8	Very high	93.2	Very high	38 Å²	38	51.9 Å²	51.9	18%	0.178	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	122.6	174.6	171.3	-177.5	-172.9	0	0	109.4	K601 N602 H619 K620 Y622	E595-K601 WeakPolarHBondContact CA-O 3.2Å; E595-N602 WeakPolarHBondContact CB-OD1 3.17Å; E595-N602 VanDerWaalsContact CG-OD1 3.22Å; E595-N602 WeakPolarHBondContact CG-OD1 3.13Å; E595-H619 CarbonylContact O-C 3.55Å; E595-H619 VanDerWaalsContact O-CA 3.25Å; E595-H619 WeakPolarHBondContact O-CA 3.47Å; E595-K620 HydrophobicContact CB-CB 4.12Å; E595-K620 PolarHBondContact N-O 3.3Å; E595-K620 PolarHBondContact O-N 2.93Å; E595-Y622 HydrophobicContact CB-CE2 3.97Å; E595-Y622 WeakPolarHBondContact OE2-CE2 3.37Å; E595-Y622 PolarHBondContact OE2-OH 2.93Å
596	I	91.7	Very high	93.2	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.01	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	111	169.2	-58.8	174.9	0	0	0	106.6	D598 E599 K600 K601 Y603 P614	I596-D598 VanDerWaalsContact C-N 3.33Å; I596-D598 PolarHBondContact O-N 2.97Å; I596-E599 HydrophobicContact CB-CB 4.15Å; I596-E599 HydrophobicContact CB-CG 4.47Å; I596-E599 HydrophobicContact CG2-CB 3.99Å; I596-E599 HydrophobicContact CG2-CG 3.89Å; I596-E599 PolarHBondContact O-N 3.14Å; I596-K600 PolarHBondContact O-N 3.15Å; I596-K601 PolarHBondContact N-O 3.4Å; I596-Y603 HydrophobicContact CD1-CD2 4.43Å; I596-Y603 HydrophobicContact CD1-CE2 3.9Å; I596-Y603 HydrophobicContact CG1-CE2 4.39Å; I596-P614 HydrophobicContact CG2-CG 3.73Å
597	V	88.4	Confident	93.1	Very high	47 Å²	47	57.3 Å²	57.3	29%	0.285	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-42.1	-166.2	177.6	0	0	0	0	111.5	K600 Y618 K620	V597-K600 PolarHBondContact O-N 2.91Å; V597-Y618 WeakPolarHBondContact CB-O 3.48Å; V597-Y618 WeakPolarHBondContact CG2-O 3.39Å; V597-Y618 PolarHBondContact N-O 3.34Å; V597-Y618 VanDerWaalsContact N-O 3.07Å; V597-K620 HydrophobicContact CG2-CD 4.28Å; V597-K620 HydrophobicContact CG2-CG 4.08Å
598	D	84.4	Confident	92.9	Very high	113 Å²	113	59.7 Å²	59.7	60%	0.604	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-33.8	-178.5	-62.4	-32.5	0	0	0	112.7	I596 A617	I596-D598 VanDerWaalsContact C-N 3.33Å; I596-D598 PolarHBondContact O-N 2.97Å; D598-A617 VanDerWaalsContact OD2-CB 3.3Å; D598-A617 WeakPolarHBondContact OD2-CB 3.47Å
599	E	86.8	Confident	92.9	Very high	87 Å²	87	62.7 Å²	62.7	41%	0.407	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-16.4	177.5	-68.8	-168.5	-139.6	0	0	113.2	I596 K601	I596-E599 HydrophobicContact CB-CB 4.15Å; I596-E599 HydrophobicContact CB-CG 4.47Å; I596-E599 HydrophobicContact CG2-CB 3.99Å; I596-E599 HydrophobicContact CG2-CG 3.89Å; I596-E599 PolarHBondContact O-N 3.14Å; E599-K601 HydrophobicContact CB-CB 4.29Å; E599-K601 HydrophobicContact CB-CD 4.46Å; E599-K601 HydrophobicContact CB-CG 4.27Å; E599-K601 PolarHBondContact O-N 2.93Å; E599-K601 IonicContact OE2-NZ 2.85Å; E599-K601 PolarHBondContact OE2-NZ 3.3Å
600	K	86.3	Confident	92.9	Very high	181 Å²	181	64 Å²	64	79%	0.787	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	34.7	-171	-58.1	-179.1	-179.7	177.7	0	112.8	I596 V597	I596-K600 PolarHBondContact O-N 3.15Å; V597-K600 PolarHBondContact O-N 2.91Å
601	K	88	Confident	92.9	Very high	104 Å²	104	65.3 Å²	65.3	45%	0.452	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	137.5	178.8	-72.7	-177.1	-161.3	145	0	110.6	E595 I596 E599 Y603	E595-K601 WeakPolarHBondContact CA-O 3.2Å; I596-K601 PolarHBondContact N-O 3.4Å; E599-K601 HydrophobicContact CB-CB 4.29Å; E599-K601 HydrophobicContact CB-CD 4.46Å; E599-K601 HydrophobicContact CB-CG 4.27Å; E599-K601 PolarHBondContact O-N 2.93Å; E599-K601 IonicContact OE2-NZ 2.85Å; E599-K601 PolarHBondContact OE2-NZ 3.3Å; K601-Y603 HydrophobicContact CB-CE2 3.75Å; K601-Y603 VanDerWaalsContact CD-OH 3.26Å; K601-Y603 WeakPolarHBondContact CD-OH 3.42Å
602	N	92.9	Very high	92.9	Very high	93 Å²	93	66.6 Å²	66.6	50%	0.497	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	132.5	177.8	-65.8	-4.2	0	0	0	109.6	V594 E595	V594-N602 CarbonylContact O-C 3.55Å; V594-N602 WeakPolarHBondContact O-CA 3.1Å; E595-N602 WeakPolarHBondContact CB-OD1 3.17Å; E595-N602 VanDerWaalsContact CG-OD1 3.22Å; E595-N602 WeakPolarHBondContact CG-OD1 3.13Å
603	Y	93.8	Very high	92.7	Very high	62 Å²	62	67.1 Å²	67.1	24%	0.243	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	117.3	179.8	-63.4	-82.9	0	0	0	109.1	N593 V594 I596 K601 K611	N593-Y603 CarbonylContact C-O 3.53Å; N593-Y603 WeakPolarHBondContact CA-O 3.4Å; N593-Y603 PolarHBondContact OD1-N 2.9Å; N593-Y603 PolarHBondContact OD1-O 3.11Å; V594-Y603 PolarHBondContact N-O 3.04Å; V594-Y603 PolarHBondContact O-N 3.14Å; I596-Y603 HydrophobicContact CD1-CD2 4.43Å; I596-Y603 HydrophobicContact CD1-CE2 3.9Å; I596-Y603 HydrophobicContact CG1-CE2 4.39Å; K601-Y603 HydrophobicContact CB-CE2 3.75Å; K601-Y603 VanDerWaalsContact CD-OH 3.26Å; K601-Y603 WeakPolarHBondContact CD-OH 3.42Å; Y603-K611 HydrophobicContact CD1-CD 4.48Å; Y603-K611 HydrophobicContact CD2-CD 4.43Å; Y603-K611 HydrophobicContact CG-CD 4.32Å; Y603-K611 PolarHBondContact OH-NZ 2.78Å
604	T	95.3	Very high	92.5	Very high	79 Å²	79	67.9 Å²	67.9	49%	0.485	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	124.4	171.5	-55.4	0	0	0	0	109.1	Q591 L592	Q591-T604 HydrophobicContact CG-CG2 4.05Å; L592-T604 CarbonylContact O-C 3.53Å; L592-T604 WeakPolarHBondContact O-CA 3.26Å
605	L	95.9	Very high	92.3	Very high	11 Å²	11	70.6 Å²	70.6	6%	0.058	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	134.3	-178.2	-57.6	177.9	0	0	0	110.5	V585 V587 L592 V594 E609 K611	V585-L605 HydrophobicContact CG1-CD1 4.12Å; V587-L605 HydrophobicContact CG2-CB 3.44Å; V587-L605 VanDerWaalsContact CG2-CB 3.44Å; V587-L605 HydrophobicContact CG2-CD1 4.29Å; L592-L605 PolarHBondContact N-O 2.97Å; L592-L605 VanDerWaalsContact N-O 3.16Å; L592-L605 PolarHBondContact O-N 2.93Å; V594-L605 HydrophobicContact CG2-CD1 3.64Å; V594-L605 HydrophobicContact CG2-CG 4.32Å; L605-E609 WeakPolarHBondContact CA-OE2 3.42Å; L605-E609 HydrophobicContact CB-CB 4.44Å; L605-E609 HydrophobicContact CD2-CB 4.3Å; L605-K611 HydrophobicContact CD1-CB 3.76Å; L605-K611 HydrophobicContact CD2-CB 4.1Å
606	Q	95.5	Very high	92	Very high	83 Å²	83	69.9 Å²	69.9	39%	0.388	38%	0.375	S	S	.	.			trans	-99.8	164.4	174.3	-62.3	-64.4	-8	0	0	111.5	V587 G608 E609	V587-Q606 WeakPolarHBondContact CB-O 3.3Å; Q606-G608 PolarHBondContact O-N 3.25Å; Q606-E609 HydrophobicContact CB-CG 4.24Å; Q606-E609 PolarHBondContact N-OE2 2.74Å; Q606-E609 VanDerWaalsContact O-CB 3.27Å; Q606-E609 WeakPolarHBondContact O-CB 3.37Å; Q606-E609 PolarHBondContact O-N 3.46Å
607	P	95.9	Very high	91.9	Very high	74 Å²	74	70 Å²	70	48%	0.481	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	129.5	177.4	-26.8	36.1	0	0	0	112.7	V587 G590 E609	V587-P607 HydrophobicContact CG1-CG 4.43Å; G590-P607 VanDerWaalsContact O-CD 3.28Å; G590-P607 WeakPolarHBondContact O-CD 3.5Å; G590-P607 VanDerWaalsContact O-CG 3.29Å; G590-P607 WeakPolarHBondContact O-CG 3.23Å; P607-E609 VanDerWaalsContact C-N 3.32Å
608	G	92.7	Very high	92	Very high	51 Å²	51	73.2 Å²	73.2	53%	0.526	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	90	-19	-175.6	0	0	0	0	0	114.4	Q586 V587 Q606	Q586-G608 PolarHBondContact NE2-O 3.15Å; V587-G608 PolarHBondContact O-N 2.76Å; Q606-G608 PolarHBondContact O-N 3.25Å
609	E	95.8	Very high	92.5	Very high	92 Å²	92	68 Å²	68	43%	0.43	36%	0.356	S	S	.	.			trans	-76.9	144.5	177.1	-61.1	-175.8	155.1	0	0	111.6	Q586 V587 L605 Q606 P607	Q586-E609 WeakPolarHBondContact CA-O 3.42Å; V587-E609 PolarHBondContact N-O 3.06Å; L605-E609 WeakPolarHBondContact CA-OE2 3.42Å; L605-E609 HydrophobicContact CB-CB 4.44Å; L605-E609 HydrophobicContact CD2-CB 4.3Å; Q606-E609 HydrophobicContact CB-CG 4.24Å; Q606-E609 PolarHBondContact N-OE2 2.74Å; Q606-E609 VanDerWaalsContact O-CB 3.27Å; Q606-E609 WeakPolarHBondContact O-CB 3.37Å; Q606-E609 PolarHBondContact O-N 3.46Å; P607-E609 VanDerWaalsContact C-N 3.32Å
610	Q	94.8	Very high	92.9	Very high	115 Å²	115	66.1 Å²	66.1	54%	0.537	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	148.2	179.3	68.6	179.2	8.9	0	0	111.5	V585 Q586	V585-Q610 CarbonylContact O-C 3.58Å; V585-Q610 VanDerWaalsContact O-CA 3.29Å; V585-Q610 WeakPolarHBondContact O-CA 3.15Å; Q586-Q610 HydrophobicContact CB-CB 4Å; Q586-Q610 HydrophobicContact CG-CB 4.08Å
611	K	94.9	Very high	93.3	Very high	48 Å²	48	57.5 Å²	57.5	21%	0.209	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	127	174.8	-177.6	62	-179.7	-178.7	0	110.4	S584 V585 Y603 L605	S584-K611 VanDerWaalsContact CA-O 3.31Å; S584-K611 WeakPolarHBondContact CA-O 3.23Å; V585-K611 HydrophobicContact CG1-CB 4.11Å; V585-K611 PolarHBondContact N-O 3Å; V585-K611 PolarHBondContact O-N 3.41Å; Y603-K611 HydrophobicContact CD1-CD 4.48Å; Y603-K611 HydrophobicContact CD2-CD 4.43Å; Y603-K611 HydrophobicContact CG-CD 4.32Å; Y603-K611 PolarHBondContact OH-NZ 2.78Å; L605-K611 HydrophobicContact CD1-CB 3.76Å; L605-K611 HydrophobicContact CD2-CB 4.1Å
612	Q	94.3	Very high	93.6	Very high	88 Å²	88	55.6 Å²	55.6	41%	0.411	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	137.2	170.8	-73.6	-69.8	-2.6	0	0	110.6	N582 T583	N582-Q612 PolarHBondContact OD1-NE2 3.49Å; T583-Q612 PolarHBondContact O-OE1 3.2Å
613	L	93.4	Very high	93.8	Very high	11 Å²	11	51.3 Å²	51.3	6%	0.058	28%	0.277	C	S	.	.			trans	-110.1	134	-178.4	-59.5	176.9	0	0	0	109.6	V576 T583 V585 V594 H619 Y633	V576-L613 HydrophobicContact CG2-CB 4.23Å; V576-L613 HydrophobicContact CG2-CD1 4.39Å; T583-L613 HydrophobicContact CG2-CB 4.39Å; T583-L613 HydrophobicContact CG2-CD1 4.28Å; T583-L613 WeakPolarHBondContact O-CB 3.49Å; T583-L613 PolarHBondContact O-N 2.85Å; V585-L613 HydrophobicContact CB-CD1 4.21Å; V585-L613 HydrophobicContact CG1-CD1 4.22Å; V585-L613 HydrophobicContact CG1-CD2 4.18Å; V585-L613 HydrophobicContact CG1-CG 4.31Å; V594-L613 HydrophobicContact CG1-CD2 3.96Å; L613-H619 HydrophobicContact CD2-CB 4.35Å; L613-Y633 HydrophobicContact CD1-CD1 4.17Å; L613-Y633 HydrophobicContact CD1-CE1 3.65Å
614	P	91.3	Very high	93.8	Very high	46 Å²	46	51.8 Å²	51.8	30%	0.299	29%	0.286	S	S	.	.			trans	-67.8	138.4	176.7	23.9	-27.4	0	0	0	110.8	I596 A617	I596-P614 HydrophobicContact CG2-CG 3.73Å; P614-A617 HydrophobicContact CB-CB 4.17Å; P614-A617 HydrophobicContact CG-CB 3.81Å
615	A	90.6	Very high	93.7	Very high	57 Å²	57	49 Å²	49	47%	0.471	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	149.2	171.4	0	0	0	0	0	110.4	A617	A615-A617 VanDerWaalsContact C-N 3.28Å; A615-A617 PolarHBondContact O-N 2.98Å
616	G	89.3	Confident	93.5	Very high	23 Å²	23	58.1 Å²	58.1	24%	0.237	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.5	14.9	-178.6	0	0	0	0	0	114.6	Y575 V576	Y575-G616 WeakPolarHBondContact CE2-O 3.42Å; Y575-G616 WeakPolarHBondContact OH-CA 3.42Å; Y575-G616 PolarHBondContact OH-O 3.49Å; V576-G616 WeakPolarHBondContact O-CA 3.35Å; V576-G616 PolarHBondContact O-N 3.32Å
617	A	89.4	Confident	93.4	Very high	5 Å²	5	55.8 Å²	55.8	4%	0.041	31%	0.31	C	S	.	.			trans	-128.2	154.6	-172.3	0	0	0	0	0	112.4	V576 D598 P614 A615	V576-A617 PolarHBondContact N-O 3.44Å; D598-A617 VanDerWaalsContact OD2-CB 3.3Å; D598-A617 WeakPolarHBondContact OD2-CB 3.47Å; P614-A617 HydrophobicContact CB-CB 4.17Å; P614-A617 HydrophobicContact CG-CB 3.81Å; A615-A617 VanDerWaalsContact C-N 3.28Å; A615-A617 PolarHBondContact O-N 2.98Å
618	Y	91.6	Very high	93.4	Very high	115 Å²	115	54.2 Å²	54.2	45%	0.451	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	140.9	169.9	-75.9	-89.1	0	0	0	111.1	E573 N574 Y575 V597	E573-Y618 HydrophobicContact CG-CD1 4.18Å; N574-Y618 WeakPolarHBondContact O-CA 3.25Å; Y575-Y618 HydrophobicContact CD2-CD1 4.29Å; Y575-Y618 AromaticContact CD2-CD2 3.66Å; Y575-Y618 HydrophobicContact CD2-CD2 3.66Å; Y575-Y618 HydrophobicContact CD2-CE1 4.18Å; Y575-Y618 AromaticContact CD2-CE2 3.5Å; Y575-Y618 HydrophobicContact CD2-CE2 3.5Å; Y575-Y618 HydrophobicContact CD2-CG 4.04Å; Y575-Y618 AromaticContact CD2-CZ 3.78Å; Y575-Y618 HydrophobicContact CE2-CD2 4.29Å; Y575-Y618 HydrophobicContact CE2-CE2 4.08Å; Y575-Y618 HydrophobicContact CG-CE1 4.34Å; Y575-Y618 HydrophobicContact CG-CE2 4.33Å; V597-Y618 WeakPolarHBondContact CB-O 3.48Å; V597-Y618 WeakPolarHBondContact CG2-O 3.39Å; V597-Y618 PolarHBondContact N-O 3.34Å; V597-Y618 VanDerWaalsContact N-O 3.07Å
619	H	93.8	Very high	93.6	Very high	3 Å²	3	51.8 Å²	51.8	1%	0.014	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	155.7	168.5	67	-78	0	0	0	110.9	E573 N574 E595 L613 Y633	E573-H619 WeakPolarHBondContact CA-O 3.47Å; N574-H619 PolarHBondContact N-O 3.44Å; N574-H619 PolarHBondContact O-N 2.9Å; N574-H619 PolarHBondContact O-ND1 2.95Å; E595-H619 CarbonylContact O-C 3.55Å; E595-H619 VanDerWaalsContact O-CA 3.25Å; E595-H619 WeakPolarHBondContact O-CA 3.47Å; L613-H619 HydrophobicContact CD2-CB 4.35Å; H619-Y633 AromaticContact CE1-CE1 4Å; H619-Y633 AromaticContact NE2-CE1 3.39Å; H619-Y633 WeakPolarHBondContact NE2-CE1 3.34Å; H619-Y633 AromaticContact NE2-CZ 3.47Å; H619-Y633 PolarHBondContact NE2-OH 2.9Å
620	K	94.9	Very high	93.6	Very high	47 Å²	47	47.4 Å²	47.4	20%	0.204	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	122	-179.7	-71.3	-177.7	-175.1	172.8	0	108.8	L571 L572 E573 V594 E595 V597 Y622	L571-K620 HydrophobicContact CD1-CB 3.49Å; L571-K620 VanDerWaalsContact CD1-CB 3.49Å; L571-K620 HydrophobicContact CD1-CD 4.16Å; L571-K620 HydrophobicContact CD1-CG 3.8Å; L572-K620 CarbonylContact O-C 3.6Å; L572-K620 WeakPolarHBondContact O-CA 3.25Å; E573-K620 HydrophobicContact CB-CG 4.24Å; E573-K620 HydrophobicContact CG-CG 4.24Å; E573-K620 VanDerWaalsContact OE1-CE 3.24Å; E573-K620 WeakPolarHBondContact OE1-CE 3.36Å; V594-K620 CarbonylContact C-O 3.58Å; V594-K620 WeakPolarHBondContact CA-O 3.43Å; E595-K620 HydrophobicContact CB-CB 4.12Å; E595-K620 PolarHBondContact N-O 3.3Å; E595-K620 PolarHBondContact O-N 2.93Å; V597-K620 HydrophobicContact CG2-CD 4.28Å; V597-K620 HydrophobicContact CG2-CG 4.08Å; K620-Y622 HydrophobicContact CB-CD2 4.49Å; K620-Y622 HydrophobicContact CB-CE2 3.75Å; K620-Y622 WeakPolarHBondContact CD-OH 3.48Å
621	V	95.3	Very high	93.7	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	116.1	176.4	-177.2	0	0	0	0	108.3	L571 L572 L592 V594 Y631 Y633	L571-V621 CarbonylContact C-O 3.55Å; L571-V621 VanDerWaalsContact CA-O 3.32Å; L571-V621 WeakPolarHBondContact CA-O 3.44Å; L572-V621 HydrophobicContact CB-CB 4.48Å; L572-V621 PolarHBondContact N-O 3.47Å; L572-V621 PolarHBondContact O-N 2.91Å; L592-V621 HydrophobicContact CB-CG1 4.36Å; L592-V621 HydrophobicContact CD1-CG1 3.75Å; L592-V621 HydrophobicContact CD2-CG1 3.9Å; L592-V621 HydrophobicContact CG-CG1 4.24Å; V594-V621 HydrophobicContact CG2-CG2 4.41Å; V621-Y631 HydrophobicContact CG1-CE1 4.36Å; V621-Y631 HydrophobicContact CG1-CE2 4.27Å; V621-Y633 VanDerWaalsContact CG2-OH 3.3Å; V621-Y633 WeakPolarHBondContact CG2-OH 3.42Å
622	Y	95.5	Very high	93.7	Very high	64 Å²	64	40 Å²	40	25%	0.251	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	128.1	177.1	-57.7	-94.2	0	0	0	110.1	L571 L592 N593 E595 K620 V624	L571-Y622 HydrophobicContact CB-CD1 3.92Å; L571-Y622 HydrophobicContact CB-CE1 4.06Å; L571-Y622 HydrophobicContact CD1-CD1 4.15Å; L571-Y622 HydrophobicContact CD1-CE1 3.89Å; L571-Y622 HydrophobicContact CD1-CE2 4.36Å; L571-Y622 HydrophobicContact CD1-CG 4.5Å; L571-Y622 HydrophobicContact CD2-CE1 3.92Å; L571-Y622 HydrophobicContact CG-CD1 4.45Å; L571-Y622 HydrophobicContact CG-CE1 4.18Å; L592-Y622 WeakPolarHBondContact CA-O 3.44Å; N593-Y622 PolarHBondContact N-O 2.89Å; N593-Y622 WeakPolarHBondContact O-CD2 3.35Å; N593-Y622 PolarHBondContact O-N 3.4Å; E595-Y622 HydrophobicContact CB-CE2 3.97Å; E595-Y622 WeakPolarHBondContact OE2-CE2 3.37Å; E595-Y622 PolarHBondContact OE2-OH 2.93Å; K620-Y622 HydrophobicContact CB-CD2 4.49Å; K620-Y622 HydrophobicContact CB-CE2 3.75Å; K620-Y622 WeakPolarHBondContact CD-OH 3.48Å; Y622-V624 PolarHBondContact O-N 2.65Å
623	T	95.8	Very high	93.8	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.018	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	107.7	170.2	-59.6	0	0	0	0	109.3	D566 F567 G569 L570	D566-T623 WeakPolarHBondContact CB-OG1 3.34Å; F567-T623 WeakPolarHBondContact O-CB 3.43Å; G569-T623 PolarHBondContact N-O 2.92Å; L570-T623 PolarHBondContact O-N 3.48Å
624	V	93.9	Very high	93.8	Very high	73 Å²	73	36.8 Å²	36.8	44%	0.442	21%	0.206	S	C	.	.			trans	-105	-9.3	-174.6	-63.9	0	0	0	0	113.7	Q591 N593 Y622	Q591-V624 HydrophobicContact CB-CG2 3.93Å; Q591-V624 HydrophobicContact CG-CG2 3.72Å; Q591-V624 VanDerWaalsContact O-CG2 3.23Å; Q591-V624 WeakPolarHBondContact O-CG2 3.36Å; Q591-V624 PolarHBondContact O-N 3.3Å; N593-V624 HydrophobicContact CB-CG1 4.03Å; Y622-V624 PolarHBondContact O-N 2.65Å
625	S	93	Very high	93.9	Very high	20 Å²	20	36.4 Å²	36.4	14%	0.14	20%	0.198	C	C	.	.	S	Bend	trans	-70	157.5	176.3	51.9	0	0	0	0	113.5	P568 G627 S629	P568-S625 WeakPolarHBondContact CB-O 3.35Å; S625-G627 VanDerWaalsContact C-N 3.33Å; S625-G627 WeakPolarHBondContact CB-O 3.21Å; S625-G627 PolarHBondContact OG-O 2.83Å; S625-S629 PolarHBondContact OG-OG 3.19Å
626	E	92.4	Very high	93.9	Very high	203 Å²	203	35 Å²	35	95%	0.949	18%	0.184	S	C	*	.	S	Bend	trans	-65.7	-34.4	174.7	-65.5	-171.5	165.1	0	0	112.9	P568	P568-E626 WeakPolarHBondContact CG-O 3.33Å
627	G	93.1	Very high	93.8	Very high	33 Å²	33	35.9 Å²	35.9	34%	0.34	18%	0.183	S	C	.	.	S	Bend	trans	-105	179.3	172.7	0	0	0	0	0	112.5	S625 S629	S625-G627 VanDerWaalsContact C-N 3.33Å; S625-G627 WeakPolarHBondContact CB-O 3.21Å; S625-G627 PolarHBondContact OG-O 2.83Å; G627-S629 PolarHBondContact O-N 3.44Å
628	P	95.6	Very high	93.7	Very high	42 Å²	42	38.4 Å²	38.4	27%	0.273	20%	0.199	S	C	.	.			trans	-56.1	139.1	176.2	-22.1	32.1	0	0	0	112.1	L538 D566	L538-P628 HydrophobicContact CD1-CB 3.9Å; L538-P628 HydrophobicContact CD1-CG 4.04Å; L538-P628 HydrophobicContact CD2-CB 4.46Å; L538-P628 HydrophobicContact CD2-CG 3.68Å; D566-P628 CarbonylContact O-C 3.58Å; D566-P628 WeakPolarHBondContact O-CA 3.3Å; D566-P628 WeakPolarHBondContact O-CB 3.42Å
629	S	96.6	Very high	93.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	131.8	170	-78.2	0	0	0	0	110.1	A565 D566 Q589 Q591 L592 S625 G627	A565-S629 WeakPolarHBondContact CA-O 3.42Å; D566-S629 PolarHBondContact N-O 3.45Å; D566-S629 PolarHBondContact O-N 3.45Å; Q589-S629 CarbonylContact O-C 3.59Å; Q589-S629 WeakPolarHBondContact O-CA 3.39Å; Q591-S629 PolarHBondContact N-OG 2.98Å; Q591-S629 PolarHBondContact O-OG 2.99Å; Q591-S629 VanDerWaalsContact O-OG 3.06Å; L592-S629 VanDerWaalsContact CD2-CB 3.44Å; S625-S629 PolarHBondContact OG-OG 3.19Å; G627-S629 PolarHBondContact O-N 3.44Å
630	C	97	Very high	93.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	131.4	177.1	-52.3	0	0	0	0	109	F509 L541 I564 L588 Q589	F509-C630 HydrophobicContact CE1-CB 3.91Å; F509-C630 HydrophobicContact CE2-CB 4.38Å; F509-C630 HydrophobicContact CZ-CB 3.74Å; L541-C630 VanDerWaalsContact CD1-SG 3.51Å; I564-C630 CarbonylContact O-C 3.58Å; I564-C630 VanDerWaalsContact O-CA 3.29Å; I564-C630 WeakPolarHBondContact O-CA 3.26Å; L588-C630 WeakPolarHBondContact CA-O 3.49Å; L588-C630 HydrophobicContact CB-CB 4.25Å; L588-C630 WeakPolarHBondContact CB-O 3.28Å; L588-C630 PolarHBondContact N-O 3.35Å; Q589-C630 HydrophobicContact CB-CB 4.04Å; Q589-C630 PolarHBondContact N-O 2.88Å; Q589-C630 PolarHBondContact O-N 3.01Å; Q589-C630 VanDerWaalsContact O-O 3.11Å
631	Y	96.5	Very high	92.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	165.7	-178.8	56	-83.5	0	0	0	110.3	I564 D566 V585 Q586 L592 V621 Y633	I564-Y631 HydrophobicContact CB-CD2 4.14Å; I564-Y631 HydrophobicContact CB-CE1 4.23Å; I564-Y631 HydrophobicContact CB-CE2 3.81Å; I564-Y631 HydrophobicContact CB-CG 4.5Å; I564-Y631 HydrophobicContact CD1-CE2 3.93Å; I564-Y631 HydrophobicContact CG1-CE2 4.35Å; I564-Y631 HydrophobicContact CG2-CE1 3.85Å; I564-Y631 HydrophobicContact CG2-CE2 3.93Å; I564-Y631 VanDerWaalsContact CG2-CZ 3.47Å; I564-Y631 WeakPolarHBondContact CG2-OH 3.21Å; I564-Y631 PolarHBondContact N-O 3.31Å; I564-Y631 PolarHBondContact O-N 2.63Å; I564-Y631 VanDerWaalsContact O-O 3.09Å; D566-Y631 HydrophobicContact CB-CE1 4.16Å; V585-Y631 HydrophobicContact CG2-CD2 3.84Å; Q586-Y631 CarbonylContact O-C 3.27Å; Q586-Y631 WeakPolarHBondContact O-CA 3.43Å; Q586-Y631 VanDerWaalsContact O-CB 3.22Å; Q586-Y631 WeakPolarHBondContact O-CB 3.31Å; L592-Y631 HydrophobicContact CD1-CD1 3.59Å; L592-Y631 HydrophobicContact CD1-CD2 4.13Å; L592-Y631 HydrophobicContact CD1-CE1 4.23Å; L592-Y631 HydrophobicContact CD1-CG 3.52Å; L592-Y631 HydrophobicContact CD2-CD1 3.92Å; L592-Y631 HydrophobicContact CD2-CE1 4.09Å; L592-Y631 HydrophobicContact CG-CD1 4.29Å; V621-Y631 HydrophobicContact CG1-CE1 4.36Å; V621-Y631 HydrophobicContact CG1-CE2 4.27Å; Y631-Y633 HydrophobicContact CD2-CE2 4.23Å; Y631-Y633 HydrophobicContact CE2-CD2 4.37Å; Y631-Y633 AromaticContact CE2-CE2 3.69Å; Y631-Y633 HydrophobicContact CE2-CE2 3.69Å
632	M	95.7	Very high	92.2	Very high	8 Å²	8	38.6 Å²	38.6	4%	0.039	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	144.5	175.7	61.2	-178.2	178.5	0	0	111.1	I551 I561 V562 F563 V585 Q586 L588 I634	I551-M632 HydrophobicContact CG2-SD 4.18Å; I561-M632 HydrophobicContact CG2-CB 3.87Å; I561-M632 HydrophobicContact CG2-CG 4.41Å; I561-M632 HydrophobicContact CG2-SD 4.03Å; V562-M632 VanDerWaalsContact O-CA 3.26Å; V562-M632 WeakPolarHBondContact O-CA 3.37Å; F563-M632 HydrophobicContact CD1-CB 3.86Å; F563-M632 HydrophobicContact CD1-SD 4.37Å; F563-M632 HydrophobicContact CE1-CB 4.14Å; F563-M632 HydrophobicContact CE1-SD 3.75Å; V585-M632 WeakPolarHBondContact CA-O 3.3Å; Q586-M632 HydrophobicContact CB-CE 4.02Å; Q586-M632 HydrophobicContact CB-CG 4.17Å; Q586-M632 HydrophobicContact CG-CE 4.15Å; Q586-M632 PolarHBondContact N-O 3.11Å; Q586-M632 PolarHBondContact O-N 3.37Å; L588-M632 HydrophobicContact CD1-CB 4.31Å; L588-M632 HydrophobicContact CD1-CG 4.4Å; L588-M632 HydrophobicContact CD2-CE 4.03Å; L588-M632 HydrophobicContact CD2-CG 4.3Å; L588-M632 HydrophobicContact CD2-SD 4.09Å; L588-M632 HydrophobicContact CG-CG 4.4Å; M632-I634 HydrophobicContact CE-CD1 3.65Å; M632-I634 HydrophobicContact CE-CG1 4.31Å; M632-I634 HydrophobicContact CG-CD1 4.48Å; M632-I634 HydrophobicContact CG-CG1 4.28Å; M632-I634 HydrophobicContact SD-CD1 4.25Å; M632-I634 HydrophobicContact SD-CG1 4.27Å
633	Y	94.9	Very high	91.9	Very high	7 Å²	7	38 Å²	38	3%	0.027	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	130.2	161.8	-74.4	-80.8	0	0	0	108.6	I561 V562 I564 L572 S584 V585 L613 H619 V621 Y631	I561-Y633 CarbonylContact C-O 3.49Å; I561-Y633 VanDerWaalsContact CA-O 3.27Å; I561-Y633 WeakPolarHBondContact CA-O 3.46Å; I561-Y633 WeakPolarHBondContact CG2-O 3.36Å; V562-Y633 PolarHBondContact N-O 3.44Å; V562-Y633 PolarHBondContact O-N 3.23Å; I564-Y633 HydrophobicContact CD1-CD2 3.57Å; I564-Y633 HydrophobicContact CD1-CE2 3.5Å; I564-Y633 HydrophobicContact CG1-CD2 4.42Å; L572-Y633 HydrophobicContact CD2-CE2 4.21Å; S584-Y633 WeakPolarHBondContact O-CA 3.37Å; V585-Y633 HydrophobicContact CB-CD1 4.31Å; V585-Y633 HydrophobicContact CB-CE1 4.09Å; V585-Y633 HydrophobicContact CG2-CE1 4.31Å; L613-Y633 HydrophobicContact CD1-CD1 4.17Å; L613-Y633 HydrophobicContact CD1-CE1 3.65Å; H619-Y633 AromaticContact CE1-CE1 4Å; H619-Y633 AromaticContact NE2-CE1 3.39Å; H619-Y633 WeakPolarHBondContact NE2-CE1 3.34Å; H619-Y633 AromaticContact NE2-CZ 3.47Å; H619-Y633 PolarHBondContact NE2-OH 2.9Å; V621-Y633 VanDerWaalsContact CG2-OH 3.3Å; V621-Y633 WeakPolarHBondContact CG2-OH 3.42Å; Y631-Y633 HydrophobicContact CD2-CE2 4.23Å; Y631-Y633 HydrophobicContact CE2-CD2 4.37Å; Y631-Y633 AromaticContact CE2-CE2 3.69Å; Y631-Y633 HydrophobicContact CE2-CE2 3.69Å
634	I	93.8	Very high	91.4	Very high	24 Å²	24	42 Å²	42	12%	0.123	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	124.7	171	-58.7	163.6	0	0	0	106.2	L555 T559 T583 S584 M632	L555-I634 HydrophobicContact CD1-CG2 4.4Å; T559-I634 HydrophobicContact CG2-CG2 3.38Å; T583-I634 CarbonylContact C-O 3.59Å; T583-I634 VanDerWaalsContact CA-O 3.3Å; T583-I634 WeakPolarHBondContact CA-O 3.18Å; S584-I634 PolarHBondContact N-O 2.88Å; S584-I634 PolarHBondContact O-N 3.14Å; M632-I634 HydrophobicContact CE-CD1 3.65Å; M632-I634 HydrophobicContact CE-CG1 4.31Å; M632-I634 HydrophobicContact CG-CD1 4.48Å; M632-I634 HydrophobicContact CG-CG1 4.28Å; M632-I634 HydrophobicContact SD-CD1 4.25Å; M632-I634 HydrophobicContact SD-CG1 4.27Å
635	Y	92.9	Very high	91.1	Very high	37 Å²	37	45.5 Å²	45.5	15%	0.145	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	159.4	177.6	60.1	-93.8	0	0	0	111.2	E560 V562 L580	E560-Y635 HydrophobicContact CB-CD2 4.08Å; E560-Y635 HydrophobicContact CB-CE1 4.27Å; E560-Y635 HydrophobicContact CB-CE2 3.51Å; E560-Y635 HydrophobicContact CG-CE2 4.18Å; E560-Y635 PolarHBondContact N-O 3.44Å; E560-Y635 PolarHBondContact O-N 3.06Å; E560-Y635 WeakPolarHBondContact OE2-CE2 3.4Å; E560-Y635 VanDerWaalsContact OE2-CZ 3.24Å; E560-Y635 PolarHBondContact OE2-OH 3.23Å; V562-Y635 HydrophobicContact CG2-CE1 4.09Å; L580-Y635 HydrophobicContact CD1-CD2 4.27Å; L580-Y635 HydrophobicContact CD1-CG 4.42Å; L580-Y635 HydrophobicContact CD2-CD2 3.68Å; L580-Y635 HydrophobicContact CD2-CE2 3.99Å; L580-Y635 HydrophobicContact CG-CD2 4.42Å
636	V	90.2	Very high	90.9	Very high	29 Å²	29	47.6 Å²	47.6	18%	0.176	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	123	173.4	177.1	0	0	0	0	107.7	Q558 T559 G581 T638	Q558-V636 HydrophobicContact CB-CG1 4.4Å; T559-V636 HydrophobicContact CG2-CG2 4.4Å; G581-V636 PolarHBondContact N-O 3.01Å; G581-V636 PolarHBondContact O-N 3.03Å; V636-T638 PolarHBondContact O-N 3.16Å
637	N	88.3	Confident	90.7	Very high	40 Å²	40	38.8 Å²	38.8	21%	0.214	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	93.6	172.1	-172.9	-16.3	0	0	0	109.1	L580 T639 E640 A641	L580-N637 HydrophobicContact CD2-CB 4.46Å; N637-T639 VanDerWaalsContact C-N 3.32Å; N637-T639 PolarHBondContact O-N 2.9Å; N637-E640 HydrophobicContact CB-CB 4.01Å; N637-E640 VanDerWaalsContact CG-CB 3.44Å; N637-E640 PolarHBondContact ND2-OE2 3.44Å; N637-E640 PolarHBondContact O-N 2.88Å; N637-E640 PolarHBondContact OD1-N 2.82Å; N637-E640 VanDerWaalsContact OD1-N 3.1Å; N637-A641 WeakPolarHBondContact O-CB 3.5Å; N637-A641 PolarHBondContact O-N 3.29Å
638	T	87.8	Confident	90.4	Very high	59 Å²	59	40.9 Å²	40.9	36%	0.362	22%	0.217	S	C	.	.	H	α-helix	trans	-69.7	-33.6	-172.5	60.6	0	0	0	0	112	D579 V636 A641 A642	D579-T638 WeakPolarHBondContact O-CB 3.41Å; D579-T638 PolarHBondContact O-N 2.89Å; D579-T638 PolarHBondContact O-OG1 3.35Å; V636-T638 PolarHBondContact O-N 3.16Å; T638-A641 PolarHBondContact O-N 2.91Å; T638-A642 VanDerWaalsContact O-CB 3.22Å; T638-A642 WeakPolarHBondContact O-CB 3.47Å; T638-A642 PolarHBondContact O-N 3.21Å
639	T	86.6	Confident	90	Very high	71 Å²	71	45.2 Å²	45.2	44%	0.436	23%	0.231	S	C	.	.	H	α-helix	trans	-65.3	-45.2	176.5	-63.7	0	0	0	0	110.6	D579 N637 A642 L643	D579-T639 WeakPolarHBondContact CB-OG1 3.44Å; D579-T639 PolarHBondContact OD1-OG1 3.32Å; N637-T639 VanDerWaalsContact C-N 3.32Å; N637-T639 PolarHBondContact O-N 2.9Å; T639-A642 PolarHBondContact O-N 2.94Å; T639-L643 VanDerWaalsContact O-CB 3.29Å; T639-L643 WeakPolarHBondContact O-CB 3.34Å; T639-L643 PolarHBondContact O-N 2.85Å
640	E	84.6	Confident	89.5	Confident	47 Å²	47	46.2 Å²	46.2	22%	0.22	24%	0.236	C	C	.	.	H	α-helix	trans	-65.9	-45.5	174.5	-179	168.6	-173.8	0	0	112.5	N637 A642 L643 Q644	N637-E640 HydrophobicContact CB-CB 4.01Å; N637-E640 VanDerWaalsContact CG-CB 3.44Å; N637-E640 PolarHBondContact ND2-OE2 3.44Å; N637-E640 PolarHBondContact O-N 2.88Å; N637-E640 PolarHBondContact OD1-N 2.82Å; N637-E640 VanDerWaalsContact OD1-N 3.1Å; E640-A642 VanDerWaalsContact C-N 3.3Å; E640-A642 PolarHBondContact O-N 3.37Å; E640-L643 WeakPolarHBondContact O-CB 3.45Å; E640-L643 PolarHBondContact O-N 3.3Å; E640-L643 VanDerWaalsContact O-N 3.14Å; E640-Q644 HydrophobicContact CG-CG 4.3Å; E640-Q644 WeakPolarHBondContact O-CG 3.21Å; E640-Q644 PolarHBondContact O-N 3.11Å; E640-Q644 PolarHBondContact OE1-NE2 3.42Å
641	A	85.8	Confident	88.9	Confident	7 Å²	7	50.9 Å²	50.9	6%	0.058	26%	0.257	C	S	.	.	H	α-helix	trans	-60.6	-40.3	178.2	0	0	0	0	0	112	N637 T638 R645	N637-A641 WeakPolarHBondContact O-CB 3.5Å; N637-A641 PolarHBondContact O-N 3.29Å; T638-A641 PolarHBondContact O-N 2.91Å; A641-R645 VanDerWaalsContact O-CG 3.28Å; A641-R645 WeakPolarHBondContact O-CG 3.4Å; A641-R645 PolarHBondContact O-N 2.89Å; A641-R645 VanDerWaalsContact O-N 3.13Å
642	A	87.3	Confident	88.5	Confident	43 Å²	43	55.7 Å²	55.7	36%	0.355	28%	0.279	S	S	.	.	H	α-helix	trans	-66.1	-42.7	174.4	0	0	0	0	0	111.6	T638 T639 E640 R645 N646	T638-A642 VanDerWaalsContact O-CB 3.22Å; T638-A642 WeakPolarHBondContact O-CB 3.47Å; T638-A642 PolarHBondContact O-N 3.21Å; T639-A642 PolarHBondContact O-N 2.94Å; E640-A642 VanDerWaalsContact C-N 3.3Å; E640-A642 PolarHBondContact O-N 3.37Å; A642-R645 PolarHBondContact O-N 3.19Å; A642-N646 PolarHBondContact O-N 2.86Å
643	L	87.5	Confident	87.9	Confident	52 Å²	52	56.5 Å²	56.5	27%	0.272	28%	0.284	S	S	.	.	H	α-helix	trans	-61.9	-46.2	177.6	-175.6	65.2	0	0	0	111.8	T639 E640 R645 N646 F647 V689 L692	T639-L643 VanDerWaalsContact O-CB 3.29Å; T639-L643 WeakPolarHBondContact O-CB 3.34Å; T639-L643 PolarHBondContact O-N 2.85Å; E640-L643 WeakPolarHBondContact O-CB 3.45Å; E640-L643 PolarHBondContact O-N 3.3Å; E640-L643 VanDerWaalsContact O-N 3.14Å; L643-R645 PolarHBondContact O-N 2.85Å; L643-N646 PolarHBondContact O-N 3.01Å; L643-F647 HydrophobicContact CD1-CD1 4.1Å; L643-F647 HydrophobicContact CD1-CE1 3.51Å; L643-F647 HydrophobicContact CD1-CE2 4.31Å; L643-F647 HydrophobicContact CD1-CZ 3.65Å; L643-F647 HydrophobicContact CD2-CE2 4.33Å; L643-F647 HydrophobicContact CD2-CZ 4.25Å; L643-F647 HydrophobicContact CG-CD1 4.5Å; L643-F647 HydrophobicContact CG-CD2 4.48Å; L643-F647 HydrophobicContact CG-CE1 4.14Å; L643-F647 HydrophobicContact CG-CE2 4.1Å; L643-F647 HydrophobicContact CG-CZ 3.94Å; L643-F647 WeakPolarHBondContact O-CB 3.28Å; L643-F647 WeakPolarHBondContact O-CG 3.39Å; L643-F647 PolarHBondContact O-N 3.28Å; L643-V689 HydrophobicContact CD1-CG1 4.13Å; L643-L692 HydrophobicContact CD1-CD2 4.11Å; L643-L692 HydrophobicContact CD2-CD2 4.04Å
644	Q	85.7	Confident	87.2	Confident	87 Å²	87	58.3 Å²	58.3	41%	0.407	29%	0.292	S	S	.	.	H	α-helix	trans	-59.1	-45.9	176	-72.9	179	-0.6	0	0	111.2	E640 N646 F647 T648	E640-Q644 HydrophobicContact CG-CG 4.3Å; E640-Q644 WeakPolarHBondContact O-CG 3.21Å; E640-Q644 PolarHBondContact O-N 3.11Å; E640-Q644 PolarHBondContact OE1-NE2 3.42Å; Q644-N646 PolarHBondContact O-N 2.72Å; Q644-F647 PolarHBondContact O-N 3.41Å; Q644-T648 PolarHBondContact O-N 3.18Å; Q644-T648 PolarHBondContact O-OG1 3.46Å; Q644-T648 VanDerWaalsContact O-OG1 3.04Å
645	R	87.6	Confident	86.7	Confident	146 Å²	146	60.4 Å²	60.4	55%	0.551	30%	0.302	S	S	*	.	H	α-helix	trans	-60.8	-42.8	176.1	-71.7	172.2	-169.2	165.2	7.7	112.3	A641 A642 L643 T648 K649	A641-R645 VanDerWaalsContact O-CG 3.28Å; A641-R645 WeakPolarHBondContact O-CG 3.4Å; A641-R645 PolarHBondContact O-N 2.89Å; A641-R645 VanDerWaalsContact O-N 3.13Å; A642-R645 PolarHBondContact O-N 3.19Å; L643-R645 PolarHBondContact O-N 2.85Å; R645-T648 PolarHBondContact O-N 3.26Å; R645-K649 WeakPolarHBondContact O-CG 3.29Å; R645-K649 PolarHBondContact O-N 3.33Å
646	N	88.5	Confident	86.3	Confident	64 Å²	64	63.5 Å²	63.5	34%	0.342	31%	0.313	S	S	.	.	H	α-helix	trans	-64.2	-41.3	176.8	-72.7	-15.5	0	0	0	111.4	A642 L643 Q644 K649 L650 V689	A642-N646 PolarHBondContact O-N 2.86Å; L643-N646 PolarHBondContact O-N 3.01Å; Q644-N646 PolarHBondContact O-N 2.72Å; N646-K649 PolarHBondContact O-N 3Å; N646-L650 WeakPolarHBondContact O-CG 3.41Å; N646-L650 PolarHBondContact O-N 2.98Å; N646-V689 HydrophobicContact CB-CG1 3.93Å
647	F	88	Confident	85.9	Confident	18 Å²	18	64 Å²	64	8%	0.079	32%	0.316	C	S	.	.	H	α-helix	trans	-64.3	-41	176	-76.1	3.7	0	0	0	112.6	L643 Q644 L650 F651 V689 L692 F693	L643-F647 HydrophobicContact CD1-CD1 4.1Å; L643-F647 HydrophobicContact CD1-CE1 3.51Å; L643-F647 HydrophobicContact CD1-CE2 4.31Å; L643-F647 HydrophobicContact CD1-CZ 3.65Å; L643-F647 HydrophobicContact CD2-CE2 4.33Å; L643-F647 HydrophobicContact CD2-CZ 4.25Å; L643-F647 HydrophobicContact CG-CD1 4.5Å; L643-F647 HydrophobicContact CG-CD2 4.48Å; L643-F647 HydrophobicContact CG-CE1 4.14Å; L643-F647 HydrophobicContact CG-CE2 4.1Å; L643-F647 HydrophobicContact CG-CZ 3.94Å; L643-F647 WeakPolarHBondContact O-CB 3.28Å; L643-F647 WeakPolarHBondContact O-CG 3.39Å; L643-F647 PolarHBondContact O-N 3.28Å; Q644-F647 PolarHBondContact O-N 3.41Å; F647-L650 HydrophobicContact CD1-CD1 4.5Å; F647-L650 PolarHBondContact O-N 3.39Å; F647-F651 WeakPolarHBondContact O-CB 3.3Å; F647-F651 PolarHBondContact O-N 3.4Å; F647-V689 HydrophobicContact CD1-CG1 4.25Å; F647-V689 HydrophobicContact CE1-CG1 3.97Å; F647-L692 HydrophobicContact CZ-CB 4.29Å; F647-L692 HydrophobicContact CZ-CD2 3.9Å; F647-L692 HydrophobicContact CZ-CG 3.95Å; F647-F693 HydrophobicContact CB-CD2 4.21Å; F647-F693 HydrophobicContact CD1-CB 4.01Å; F647-F693 AromaticContact CD1-CD2 3.89Å; F647-F693 HydrophobicContact CD1-CD2 3.89Å; F647-F693 HydrophobicContact CD1-CG 4.42Å; F647-F693 HydrophobicContact CE1-CB 3.76Å; F647-F693 HydrophobicContact CE1-CD2 4.39Å; F647-F693 HydrophobicContact CG-CD2 4Å; F647-F693 HydrophobicContact CZ-CB 4.39Å
648	T	87.3	Confident	85.4	Confident	77 Å²	77	70.5 Å²	70.5	47%	0.472	34%	0.338	S	S	.	.	H	α-helix	trans	-61.2	-45.5	174.7	-55.3	0	0	0	0	111.1	Q644 R645 L650 F651 E652	Q644-T648 PolarHBondContact O-N 3.18Å; Q644-T648 PolarHBondContact O-OG1 3.46Å; Q644-T648 VanDerWaalsContact O-OG1 3.04Å; R645-T648 PolarHBondContact O-N 3.26Å; T648-L650 PolarHBondContact O-N 2.94Å; T648-F651 PolarHBondContact O-N 3.37Å; T648-E652 WeakPolarHBondContact O-CG 3.47Å; T648-E652 PolarHBondContact O-N 3.26Å
649	K	87.8	Confident	85.2	Confident	134 Å²	134	72.6 Å²	72.6	58%	0.583	35%	0.347	S	S	*	.	H	α-helix	trans	-61	-44.7	176.3	-72.5	175.7	-179.6	178.7	0	112.7	R645 N646 F651 E652 L653	R645-K649 WeakPolarHBondContact O-CG 3.29Å; R645-K649 PolarHBondContact O-N 3.33Å; N646-K649 PolarHBondContact O-N 3Å; K649-F651 VanDerWaalsContact C-N 3.31Å; K649-F651 PolarHBondContact O-N 3.25Å; K649-E652 PolarHBondContact O-N 3.06Å; K649-L653 VanDerWaalsContact O-CB 3.29Å; K649-L653 WeakPolarHBondContact O-CB 3.22Å; K649-L653 PolarHBondContact O-N 2.68Å
650	L	86.3	Confident	84.6	Confident	20 Å²	20	72.1 Å²	72.1	11%	0.105	36%	0.356	C	S	.	.	H	α-helix	trans	-63.4	-39.2	177.6	-72.9	172.8	0	0	0	111.4	N646 F647 T648 Q654 L670 L673 V689 V690 F693	N646-L650 WeakPolarHBondContact O-CG 3.41Å; N646-L650 PolarHBondContact O-N 2.98Å; F647-L650 HydrophobicContact CD1-CD1 4.5Å; F647-L650 PolarHBondContact O-N 3.39Å; T648-L650 PolarHBondContact O-N 2.94Å; L650-Q654 WeakPolarHBondContact O-CB 3.41Å; L650-Q654 PolarHBondContact O-N 3.23Å; L650-L670 HydrophobicContact CD2-CD2 3.68Å; L650-L673 HydrophobicContact CD2-CD1 4.09Å; L650-V689 HydrophobicContact CD1-CG1 4.32Å; L650-V690 HydrophobicContact CD1-CG2 4.28Å; L650-V690 HydrophobicContact CD2-CG2 4.2Å; L650-F693 HydrophobicContact CB-CD1 4.28Å; L650-F693 HydrophobicContact CB-CD2 4.15Å; L650-F693 HydrophobicContact CB-CE1 4.17Å; L650-F693 HydrophobicContact CB-CE2 4.02Å; L650-F693 HydrophobicContact CB-CG 4.26Å; L650-F693 HydrophobicContact CB-CZ 4.02Å; L650-F693 HydrophobicContact CD1-CB 3.86Å; L650-F693 HydrophobicContact CD1-CD1 4.3Å; L650-F693 HydrophobicContact CD1-CD2 4.25Å; L650-F693 HydrophobicContact CD1-CG 3.89Å
651	F	84.9	Confident	84.3	Confident	98 Å²	98	74.2 Å²	74.2	43%	0.43	37%	0.372	S	S	.	.	H	α-helix	trans	-65.3	-49	175.9	-174.1	-94.2	0	0	0	112	F647 T648 K649 L653 Q654 E655 F693	F647-F651 WeakPolarHBondContact O-CB 3.3Å; F647-F651 PolarHBondContact O-N 3.4Å; T648-F651 PolarHBondContact O-N 3.37Å; K649-F651 VanDerWaalsContact C-N 3.31Å; K649-F651 PolarHBondContact O-N 3.25Å; F651-L653 VanDerWaalsContact C-N 3.31Å; F651-L653 PolarHBondContact O-N 3.48Å; F651-Q654 WeakPolarHBondContact O-CB 3.4Å; F651-Q654 PolarHBondContact O-N 2.94Å; F651-E655 HydrophobicContact CD1-CG 4.33Å; F651-E655 HydrophobicContact CE1-CG 3.93Å; F651-E655 HydrophobicContact CZ-CG 4.23Å; F651-E655 PolarHBondContact O-N 2.91Å; F651-F693 HydrophobicContact CB-CE2 4.3Å; F651-F693 HydrophobicContact CB-CZ 4.29Å
652	E	86.4	Confident	83.7	Confident	101 Å²	101	76.6 Å²	76.6	47%	0.472	38%	0.382	S	S	.	.	H	α-helix	trans	-59.4	-40.9	176.3	-73.8	174.1	-177.1	0	0	112.3	T648 K649 E655 R656	T648-E652 WeakPolarHBondContact O-CG 3.47Å; T648-E652 PolarHBondContact O-N 3.26Å; K649-E652 PolarHBondContact O-N 3.06Å; E652-E655 PolarHBondContact O-N 3.37Å; E652-R656 WeakPolarHBondContact O-CG 3.42Å; E652-R656 PolarHBondContact O-N 3.3Å
653	L	83.9	Confident	82.5	Confident	25 Å²	25	81 Å²	81	13%	0.131	41%	0.405	C	S	.	.	H	α-helix	trans	-64.8	-43.3	176.3	-179.5	140.7	0	0	0	111.2	K649 F651 E655 R656 V657 L666 L673	K649-L653 VanDerWaalsContact O-CB 3.29Å; K649-L653 WeakPolarHBondContact O-CB 3.22Å; K649-L653 PolarHBondContact O-N 2.68Å; F651-L653 VanDerWaalsContact C-N 3.31Å; F651-L653 PolarHBondContact O-N 3.48Å; L653-E655 VanDerWaalsContact C-N 3.3Å; L653-E655 PolarHBondContact O-N 3.26Å; L653-R656 PolarHBondContact O-N 3.08Å; L653-V657 HydrophobicContact CD2-CG2 4.39Å; L653-V657 WeakPolarHBondContact O-CG2 3.39Å; L653-V657 PolarHBondContact O-N 3.45Å; L653-L666 HydrophobicContact CD1-CD2 3.92Å; L653-L666 HydrophobicContact CD2-CD1 4.44Å; L653-L666 HydrophobicContact CD2-CD2 3.71Å; L653-L666 HydrophobicContact CG-CD2 4.17Å; L653-L673 HydrophobicContact CD2-CD1 3.51Å
654	Q	81.1	Confident	81.8	Confident	45 Å²	45	85.6 Å²	85.6	21%	0.21	43%	0.425	C	S	.	.	H	α-helix	trans	-61.6	-38.5	175	-171.7	-178.6	28.8	0	0	112.1	L650 F651 R658	L650-Q654 WeakPolarHBondContact O-CB 3.41Å; L650-Q654 PolarHBondContact O-N 3.23Å; F651-Q654 WeakPolarHBondContact O-CB 3.4Å; F651-Q654 PolarHBondContact O-N 2.94Å; Q654-R658 WeakPolarHBondContact O-CB 3.28Å; Q654-R658 PolarHBondContact O-N 3.22Å
655	E	82.7	Confident	80.9	Confident	69 Å²	69	87.6 Å²	87.6	32%	0.322	45%	0.445	S	S	.	.	H	α-helix	trans	-67.6	-41.2	175.1	-69.9	-150.7	129.3	0	0	112.7	F651 E652 L653 V657 R658 N659	F651-E655 HydrophobicContact CD1-CG 4.33Å; F651-E655 HydrophobicContact CE1-CG 3.93Å; F651-E655 HydrophobicContact CZ-CG 4.23Å; F651-E655 PolarHBondContact O-N 2.91Å; E652-E655 PolarHBondContact O-N 3.37Å; L653-E655 VanDerWaalsContact C-N 3.3Å; L653-E655 PolarHBondContact O-N 3.26Å; E655-V657 VanDerWaalsContact C-N 3.33Å; E655-V657 PolarHBondContact O-N 3.22Å; E655-R658 PolarHBondContact O-N 3.45Å; E655-R658 IonicContact OE1-NH2 2.64Å; E655-R658 PolarHBondContact OE1-NH2 2.98Å; E655-R658 VanDerWaalsContact OE1-NH2 3.1Å; E655-N659 VanDerWaalsContact O-CB 3.31Å; E655-N659 WeakPolarHBondContact O-CB 3.16Å; E655-N659 PolarHBondContact O-N 2.99Å; E655-N659 PolarHBondContact O-ND2 2.94Å
656	R	83.4	Confident	80.1	Confident	102 Å²	102	81.7 Å²	81.7	39%	0.385	43%	0.425	S	S	.	.	H	α-helix	trans	-61.5	-40.7	175.2	-76.8	-172.5	-77.9	148.5	-12.9	112.5	E652 L653 N659 G660 T661 E662	E652-R656 WeakPolarHBondContact O-CG 3.42Å; E652-R656 PolarHBondContact O-N 3.3Å; L653-R656 PolarHBondContact O-N 3.08Å; R656-N659 PolarHBondContact O-N 2.62Å; R656-G660 PolarHBondContact O-N 2.83Å; R656-G660 VanDerWaalsContact O-N 3.13Å; R656-T661 WeakPolarHBondContact CA-OG1 2.97Å; R656-T661 PolarHBondContact O-N 3.01Å; R656-T661 VanDerWaalsContact O-N 3.08Å; R656-T661 PolarHBondContact O-OG1 3.14Å; R656-T661 VanDerWaalsContact O-OG1 3.13Å; R656-E662 HydrophobicContact CB-CB 4.39Å; R656-E662 WeakPolarHBondContact CD-OE2 3.49Å; R656-E662 IonicContact CZ-OE2 3.1Å; R656-E662 IonicContact NE-OE2 2.63Å; R656-E662 VanDerWaalsContact NH1-CD 3.35Å; R656-E662 IonicContact NH1-OE1 3.04Å; R656-E662 PolarHBondContact NH1-OE1 3.13Å; R656-E662 IonicContact NH1-OE2 3.76Å; R656-E662 PolarHBondContact NH1-OE2 3.4Å; R656-E662 PolarHBondContact O-N 3.02Å
657	V	81.6	Confident	79.2	Confident	38 Å²	38	81.9 Å²	81.9	23%	0.23	43%	0.429	C	S	.	.	H	α-helix	trans	-63.5	-47.4	173.8	171.7	0	0	0	0	110.5	L653 E655 N659 G660 E662 L666 I674	L653-V657 HydrophobicContact CD2-CG2 4.39Å; L653-V657 WeakPolarHBondContact O-CG2 3.39Å; L653-V657 PolarHBondContact O-N 3.45Å; E655-V657 VanDerWaalsContact C-N 3.33Å; E655-V657 PolarHBondContact O-N 3.22Å; V657-N659 VanDerWaalsContact C-N 3.29Å; V657-N659 PolarHBondContact O-N 3.5Å; V657-G660 PolarHBondContact O-N 3.37Å; V657-G660 VanDerWaalsContact O-N 3.17Å; V657-E662 HydrophobicContact CG2-CB 4.24Å; V657-E662 HydrophobicContact CG2-CG 4.48Å; V657-L666 HydrophobicContact CG2-CD1 3.6Å; V657-I674 HydrophobicContact CG1-CG1 4.11Å; V657-I674 HydrophobicContact CG1-CG2 4.44Å
658	R	79.3	Confident	78.1	Confident	177 Å²	177	85.8 Å²	85.8	67%	0.668	46%	0.456	S	S	*	.	H	α-helix	trans	-62	-37.4	179.1	-171.2	-176.8	70.7	-160.1	-8.4	112.3	Q654 E655 G660	Q654-R658 WeakPolarHBondContact O-CB 3.28Å; Q654-R658 PolarHBondContact O-N 3.22Å; E655-R658 PolarHBondContact O-N 3.45Å; E655-R658 IonicContact OE1-NH2 2.64Å; E655-R658 PolarHBondContact OE1-NH2 2.98Å; E655-R658 VanDerWaalsContact OE1-NH2 3.1Å; R658-G660 VanDerWaalsContact C-N 3.29Å
659	N	82.6	Confident	77	Confident	104 Å²	104	87.3 Å²	87.3	56%	0.556	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-2.6	-179.2	-63.6	-11.5	0	0	0	112.9	E655 R656 V657 T661	E655-N659 VanDerWaalsContact O-CB 3.31Å; E655-N659 WeakPolarHBondContact O-CB 3.16Å; E655-N659 PolarHBondContact O-N 2.99Å; E655-N659 PolarHBondContact O-ND2 2.94Å; R656-N659 PolarHBondContact O-N 2.62Å; V657-N659 VanDerWaalsContact C-N 3.29Å; V657-N659 PolarHBondContact O-N 3.5Å; N659-T661 VanDerWaalsContact C-N 3.26Å; N659-T661 PolarHBondContact O-N 3.13Å
660	G	75.3	Confident	76.1	Confident	61 Å²	61	82.5 Å²	82.5	63%	0.629	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.3	15.8	176.7	0	0	0	0	0	114.9	R656 V657 R658	R656-G660 PolarHBondContact O-N 2.83Å; R656-G660 VanDerWaalsContact O-N 3.13Å; V657-G660 PolarHBondContact O-N 3.37Å; V657-G660 VanDerWaalsContact O-N 3.17Å; R658-G660 VanDerWaalsContact C-N 3.29Å
661	T	77.1	Confident	75.1	Confident	90 Å²	90	86.4 Å²	86.4	55%	0.552	46%	0.456	S	S	*	.			trans	-88.5	-11.4	-179.9	51.2	0	0	0	0	113.2	R656 N659	R656-T661 WeakPolarHBondContact CA-OG1 2.97Å; R656-T661 PolarHBondContact O-N 3.01Å; R656-T661 VanDerWaalsContact O-N 3.08Å; R656-T661 PolarHBondContact O-OG1 3.14Å; R656-T661 VanDerWaalsContact O-OG1 3.13Å; N659-T661 VanDerWaalsContact C-N 3.26Å; N659-T661 PolarHBondContact O-N 3.13Å
662	E	73.4	Confident	74.1	Confident	58 Å²	58	83.3 Å²	83.3	27%	0.271	45%	0.447	S	S	.	.			trans	-86	110.8	176	-157.7	70.7	-173.1	0	0	109.6	R656 V657	R656-E662 HydrophobicContact CB-CB 4.39Å; R656-E662 WeakPolarHBondContact CD-OE2 3.49Å; R656-E662 IonicContact CZ-OE2 3.1Å; R656-E662 IonicContact NE-OE2 2.63Å; R656-E662 VanDerWaalsContact NH1-CD 3.35Å; R656-E662 IonicContact NH1-OE1 3.04Å; R656-E662 PolarHBondContact NH1-OE1 3.13Å; R656-E662 IonicContact NH1-OE2 3.76Å; R656-E662 PolarHBondContact NH1-OE2 3.4Å; R656-E662 PolarHBondContact O-N 3.02Å; V657-E662 HydrophobicContact CG2-CB 4.24Å; V657-E662 HydrophobicContact CG2-CG 4.48Å
663	T	62.8	Low	73	Confident	136 Å²	136	79 Å²	79	83%	0.834	43%	0.427	S	S	*	.			trans	-96.5	-8.9	-176.6	52.4	0	0	0	0	113.6
664	E	71.8	Confident	72	Confident	148 Å²	148	82.5 Å²	82.5	69%	0.692	45%	0.445	S	S	*	.	S	Bend	trans	-94.1	140.4	179.4	-65.7	-171.1	173.8	0	0	111.7	L666	E664-L666 PolarHBondContact O-N 2.83Å
665	P	66.5	Low	70.9	Confident	128 Å²	128	84.4 Å²	84.4	83%	0.831	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-67.9	126.4	176	27.1	-32	0	0	0	110.6
666	L	71.1	Confident	69.6	Low	23 Å²	23	83.1 Å²	83.1	12%	0.12	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-64.1	141.4	179.7	-80.9	161.5	0	0	0	112.2	L653 V657 E664 L670 I674	L653-L666 HydrophobicContact CD1-CD2 3.92Å; L653-L666 HydrophobicContact CD2-CD1 4.44Å; L653-L666 HydrophobicContact CD2-CD2 3.71Å; L653-L666 HydrophobicContact CG-CD2 4.17Å; V657-L666 HydrophobicContact CG2-CD1 3.6Å; E664-L666 PolarHBondContact O-N 2.83Å; L666-L670 HydrophobicContact CD2-CB 4.13Å; L666-L670 HydrophobicContact CD2-CD1 4.29Å; L666-I674 HydrophobicContact CB-CD1 4.38Å; L666-I674 HydrophobicContact CD1-CD1 3.53Å; L666-I674 HydrophobicContact CD1-CG1 3.57Å
667	P	71.1	Confident	68.1	Low	67 Å²	67	86.2 Å²	86.2	44%	0.435	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-52	148.4	169.7	-25.1	33.3	0	0	0	111.8	E669 L670 Q671	P667-E669 PolarHBondContact O-N 2.94Å; P667-E669 VanDerWaalsContact O-N 3.1Å; P667-L670 HydrophobicContact CG-CD1 4.39Å; P667-L670 PolarHBondContact O-N 2.93Å; P667-Q671 PolarHBondContact O-N 3.27Å
668	P	64.3	Low	66.2	Low	101 Å²	101	90.5 Å²	90.5	66%	0.656	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-54.7	-33.4	-177.3	19.2	-30.5	0	0	0	113.7	L670 Q671	P668-L670 VanDerWaalsContact C-N 3.26Å; P668-L670 PolarHBondContact O-N 3.19Å; P668-Q671 PolarHBondContact O-N 2.94Å
669	E	64.5	Low	64.6	Low	109 Å²	109	91.7 Å²	91.7	51%	0.509	52%	0.518	S	S	.	.	G	3₁₀ helix	trans	-64	-27	177.7	-63.8	167	-169.3	0	0	113.4	P667	P667-E669 PolarHBondContact O-N 2.94Å; P667-E669 VanDerWaalsContact O-N 3.1Å
670	L	68.6	Low	62.7	Low	32 Å²	32	90.5 Å²	90.5	17%	0.168	53%	0.531	C	S	.	.	G	3₁₀ helix	trans	-103.7	-0.6	-176.4	-65.1	174.3	0	0	0	113.3	L650 L666 P667 P668 S672 L673 V690	L650-L670 HydrophobicContact CD2-CD2 3.68Å; L666-L670 HydrophobicContact CD2-CB 4.13Å; L666-L670 HydrophobicContact CD2-CD1 4.29Å; P667-L670 HydrophobicContact CG-CD1 4.39Å; P667-L670 PolarHBondContact O-N 2.93Å; P668-L670 VanDerWaalsContact C-N 3.26Å; P668-L670 PolarHBondContact O-N 3.19Å; L670-S672 PolarHBondContact O-N 3.23Å; L670-L673 HydrophobicContact CB-CD1 4.13Å; L670-L673 HydrophobicContact CD2-CD1 3.79Å; L670-L673 HydrophobicContact CG-CD1 4.49Å; L670-L673 VanDerWaalsContact O-CB 3.28Å; L670-L673 WeakPolarHBondContact O-CB 3.46Å; L670-L673 PolarHBondContact O-N 2.68Å; L670-V690 HydrophobicContact CD2-CG1 4.49Å; L670-V690 HydrophobicContact CD2-CG2 3.65Å
671	Q	65	Low	61.2	Low	102 Å²	102	91.7 Å²	91.7	48%	0.477	53%	0.529	S	S	.	.	G	3₁₀ helix	trans	-62.8	-24.2	179.2	-72.3	178.2	2.2	0	0	113.3	P667 P668 L673 I674 T675	P667-Q671 PolarHBondContact O-N 3.27Å; P668-Q671 PolarHBondContact O-N 2.94Å; Q671-L673 PolarHBondContact O-N 3.04Å; Q671-I674 WeakPolarHBondContact O-CB 3.44Å; Q671-I674 PolarHBondContact O-N 3.3Å; Q671-I674 VanDerWaalsContact O-N 3.11Å; Q671-T675 PolarHBondContact O-N 3.11Å; Q671-T675 PolarHBondContact O-OG1 3.31Å
672	S	64.4	Low	59.6	Low	33 Å²	33	96.1 Å²	96.1	23%	0.231	54%	0.544	C	S	.	.	G	3₁₀ helix	trans	-65.1	-20.1	173.9	59.1	0	0	0	0	113.5	L670 I674	L670-S672 PolarHBondContact O-N 3.23Å; S672-I674 VanDerWaalsContact C-N 3.29Å
673	L	63.5	Low	58.1	Low	10 Å²	10	97.6 Å²	97.6	5%	0.052	57%	0.566	C	S	.	*	G	3₁₀ helix	trans	-70.9	-25.7	172.6	-64.6	172.2	0	0	0	112.5	L650 L653 L670 Q671 F693 L694	L650-L673 HydrophobicContact CD2-CD1 4.09Å; L653-L673 HydrophobicContact CD2-CD1 3.51Å; L670-L673 HydrophobicContact CB-CD1 4.13Å; L670-L673 HydrophobicContact CD2-CD1 3.79Å; L670-L673 HydrophobicContact CG-CD1 4.49Å; L670-L673 VanDerWaalsContact O-CB 3.28Å; L670-L673 WeakPolarHBondContact O-CB 3.46Å; L670-L673 PolarHBondContact O-N 2.68Å; Q671-L673 PolarHBondContact O-N 3.04Å; L673-F693 HydrophobicContact CD2-CD1 4.01Å; L673-F693 HydrophobicContact CD2-CE1 3.76Å; L673-L694 HydrophobicContact CD2-CD2 4.21Å
674	I	61.5	Low	57.5	Low	99 Å²	99	98 Å²	98	51%	0.508	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.9	-47.5	-179.9	-46.1	177.6	0	0	0	110.9	V657 L666 Q671 S672 G676	V657-I674 HydrophobicContact CG1-CG1 4.11Å; V657-I674 HydrophobicContact CG1-CG2 4.44Å; L666-I674 HydrophobicContact CB-CD1 4.38Å; L666-I674 HydrophobicContact CD1-CD1 3.53Å; L666-I674 HydrophobicContact CD1-CG1 3.57Å; Q671-I674 WeakPolarHBondContact O-CB 3.44Å; Q671-I674 PolarHBondContact O-N 3.3Å; Q671-I674 VanDerWaalsContact O-N 3.11Å; S672-I674 VanDerWaalsContact C-N 3.29Å; I674-G676 PolarHBondContact O-N 3.07Å
675	T	58.5	Low	56.6	Low	86 Å²	86	97.2 Å²	97.2	53%	0.528	57%	0.568	S	S	.	*	S	Bend	trans	-80.4	0.1	-171.1	34.5	0	0	0	0	114	Q671 E677	Q671-T675 PolarHBondContact O-N 3.11Å; Q671-T675 PolarHBondContact O-OG1 3.31Å; T675-E677 PolarHBondContact O-N 3.49Å
676	G	55.4	Low	56.2	Low	41 Å²	41	94 Å²	94	42%	0.423	54%	0.542	S	S	.	.			trans	-31.4	90.6	-160.6	0	0	0	0	0	114.7	I674	I674-G676 PolarHBondContact O-N 3.07Å
677	E	51.5	Low	56.4	Low	168 Å²	168	96 Å²	96	79%	0.785	55%	0.553	S	S	*	*			trans	162.1	-1.3	170	-98.4	162.5	-158.3	0	0	115.3	T675 E679	T675-E677 PolarHBondContact O-N 3.49Å; E677-E679 PolarHBondContact O-N 3.35Å
678	N	42	Very low	56.8	Low	128 Å²	128	97.2 Å²	97.2	68%	0.684	56%	0.561	S	S	*	*			trans	-75.5	92.2	178.3	-85.7	-1.7	0	0	0	113.1	G680	N678-G680 PolarHBondContact O-N 3.04Å
679	E	46.2	Very low	57.6	Low	202 Å²	202	94 Å²	94	94%	0.944	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	104.6	152.1	-67.6	178.2	165.9	0	0	108.6	E677	E677-E679 PolarHBondContact O-N 3.35Å
680	G	43	Very low	58.3	Low	79 Å²	79	88.9 Å²	88.9	81%	0.814	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	141.4	-4.5	167.4	0	0	0	0	0	117.9	N678	N678-G680 PolarHBondContact O-N 3.04Å
681	S	42.3	Very low	58.9	Low	86 Å²	86	92.4 Å²	92.4	60%	0.601	53%	0.531	S	S	*	.			trans	-113.4	63.8	177.7	59.4	0	0	0	0	112.6	A683	S681-A683 PolarHBondContact O-N 3.47Å
682	E	44.3	Very low	59.7	Low	183 Å²	183	91.3 Å²	91.3	86%	0.855	53%	0.528	S	S	*	.			trans	-80.1	6.6	172	-72	-165	147.3	0	0	113.8
683	A	42.4	Very low	60.5	Low	89 Å²	89	90.2 Å²	90.2	74%	0.736	52%	0.519	S	S	*	.			trans	-107.8	-0.8	-164.4	0	0	0	0	0	117.2	S681	S681-A683 PolarHBondContact O-N 3.47Å
684	N	49	Very low	61.3	Low	144 Å²	144	90.7 Å²	90.7	77%	0.77	52%	0.522	S	S	*	.	S	Bend	trans	-119.5	101.7	178.3	-78.7	-14	0	0	0	111.1	M686	N684-M686 PolarHBondContact O-N 3.37Å
685	V	53.1	Low	62.2	Low	131 Å²	131	92.2 Å²	92.2	79%	0.794	52%	0.521	S	S	*	.			trans	11.1	79	166.6	-168.4	0	0	0	0	113.4
686	M	58.8	Low	63.3	Low	60 Å²	60	94.4 Å²	94.4	30%	0.296	52%	0.52	S	S	.	.			trans	-81.6	132.8	170	-74.8	-177.4	64.6	0	0	108.8	N684 V690 Q691 L694	N684-M686 PolarHBondContact O-N 3.37Å; M686-V690 HydrophobicContact CE-CG1 4.4Å; M686-Q691 HydrophobicContact CE-CB 3.88Å; M686-Q691 HydrophobicContact CE-CG 4.21Å; M686-L694 HydrophobicContact CE-CD1 3.69Å
687	D	74.4	Confident	64.5	Low	66 Å²	66	93.5 Å²	93.5	35%	0.353	51%	0.505	S	S	.	.			trans	-52.6	124.9	162.9	175.3	-4.7	0	0	0	108.7	V689 V690 Q691	D687-V689 PolarHBondContact O-N 3.37Å; D687-V689 VanDerWaalsContact O-N 3.11Å; D687-V689 WeakPolarHBondContact OD1-CB 3.45Å; D687-V689 PolarHBondContact OD1-N 2.86Å; D687-V690 HydrophobicContact CB-CB 4.21Å; D687-V690 HydrophobicContact CB-CG2 3.86Å; D687-V690 PolarHBondContact O-N 2.73Å; D687-Q691 PolarHBondContact O-N 3.37Å
688	P	80.7	Confident	65.8	Low	93 Å²	93	93.1 Å²	93.1	60%	0.604	50%	0.496	S	S	*	.	H	α-helix	trans	-50.6	-34.3	177.4	-25.8	31.8	0	0	0	113.4	Q691 L692	P688-Q691 PolarHBondContact O-N 3.13Å; P688-L692 VanDerWaalsContact O-CB 3.31Å; P688-L692 WeakPolarHBondContact O-CB 3.42Å; P688-L692 PolarHBondContact O-N 2.79Å
689	V	81.1	Confident	67.5	Low	33 Å²	33	90.8 Å²	90.8	20%	0.2	48%	0.478	C	S	.	.	H	α-helix	trans	-69.1	-40.3	179.5	-179.5	0	0	0	0	110.9	L643 N646 F647 L650 D687 L692 F693	L643-V689 HydrophobicContact CD1-CG1 4.13Å; N646-V689 HydrophobicContact CB-CG1 3.93Å; F647-V689 HydrophobicContact CD1-CG1 4.25Å; F647-V689 HydrophobicContact CE1-CG1 3.97Å; L650-V689 HydrophobicContact CD1-CG1 4.32Å; D687-V689 PolarHBondContact O-N 3.37Å; D687-V689 VanDerWaalsContact O-N 3.11Å; D687-V689 WeakPolarHBondContact OD1-CB 3.45Å; D687-V689 PolarHBondContact OD1-N 2.86Å; V689-L692 PolarHBondContact O-N 2.81Å; V689-F693 VanDerWaalsContact O-CB 3.31Å; V689-F693 WeakPolarHBondContact O-CB 3.32Å; V689-F693 PolarHBondContact O-N 3.32Å
690	V	79.8	Confident	68.9	Low	1 Å²	1	86.3 Å²	86.3	1%	0.006	46%	0.458	C	S	.	.	H	α-helix	trans	-68.5	-40.5	176.2	178.6	0	0	0	0	110.5	L650 L670 M686 D687 F693 L694	L650-V690 HydrophobicContact CD1-CG2 4.28Å; L650-V690 HydrophobicContact CD2-CG2 4.2Å; L670-V690 HydrophobicContact CD2-CG1 4.49Å; L670-V690 HydrophobicContact CD2-CG2 3.65Å; M686-V690 HydrophobicContact CE-CG1 4.4Å; D687-V690 HydrophobicContact CB-CB 4.21Å; D687-V690 HydrophobicContact CB-CG2 3.86Å; D687-V690 PolarHBondContact O-N 2.73Å; V690-F693 PolarHBondContact O-N 2.83Å; V690-L694 HydrophobicContact CG1-CD1 4.17Å; V690-L694 HydrophobicContact CG1-CG 4.48Å; V690-L694 WeakPolarHBondContact O-CB 3.47Å; V690-L694 WeakPolarHBondContact O-CG 3.34Å; V690-L694 PolarHBondContact O-N 3.02Å
691	Q	80.6	Confident	70.7	Confident	107 Å²	107	88.5 Å²	88.5	50%	0.5	45%	0.445	S	S	.	.	H	α-helix	trans	-61.2	-46.5	174.3	-169.2	-175.6	13	0	0	111.4	M686 D687 P688 L694 R695	M686-Q691 HydrophobicContact CE-CB 3.88Å; M686-Q691 HydrophobicContact CE-CG 4.21Å; D687-Q691 PolarHBondContact O-N 3.37Å; P688-Q691 PolarHBondContact O-N 3.13Å; Q691-L694 PolarHBondContact O-N 3.38Å; Q691-R695 WeakPolarHBondContact O-CB 3.05Å; Q691-R695 PolarHBondContact O-N 2.9Å
692	L	81.2	Confident	72.4	Confident	78 Å²	78	87.2 Å²	87.2	41%	0.408	43%	0.429	S	S	.	.	H	α-helix	trans	-63.4	-41.8	177.6	-169.9	67.9	0	0	0	111.4	L643 F647 P688 V689 R695 R696	L643-L692 HydrophobicContact CD1-CD2 4.11Å; L643-L692 HydrophobicContact CD2-CD2 4.04Å; F647-L692 HydrophobicContact CZ-CB 4.29Å; F647-L692 HydrophobicContact CZ-CD2 3.9Å; F647-L692 HydrophobicContact CZ-CG 3.95Å; P688-L692 VanDerWaalsContact O-CB 3.31Å; P688-L692 WeakPolarHBondContact O-CB 3.42Å; P688-L692 PolarHBondContact O-N 2.79Å; V689-L692 PolarHBondContact O-N 2.81Å; L692-R695 PolarHBondContact O-N 3.43Å; L692-R696 WeakPolarHBondContact O-CB 3.49Å; L692-R696 PolarHBondContact O-N 2.85Å
693	F	82.3	Confident	74	Confident	11 Å²	11	81 Å²	81	5%	0.048	40%	0.404	C	S	.	.	H	α-helix	trans	-59.9	-49.5	174.6	176.6	-99.1	0	0	0	111.9	F647 L650 F651 L673 V689 V690 R695 R696 Q697	F647-F693 HydrophobicContact CB-CD2 4.21Å; F647-F693 HydrophobicContact CD1-CB 4.01Å; F647-F693 AromaticContact CD1-CD2 3.89Å; F647-F693 HydrophobicContact CD1-CD2 3.89Å; F647-F693 HydrophobicContact CD1-CG 4.42Å; F647-F693 HydrophobicContact CE1-CB 3.76Å; F647-F693 HydrophobicContact CE1-CD2 4.39Å; F647-F693 HydrophobicContact CG-CD2 4Å; F647-F693 HydrophobicContact CZ-CB 4.39Å; L650-F693 HydrophobicContact CB-CD1 4.28Å; L650-F693 HydrophobicContact CB-CD2 4.15Å; L650-F693 HydrophobicContact CB-CE1 4.17Å; L650-F693 HydrophobicContact CB-CE2 4.02Å; L650-F693 HydrophobicContact CB-CG 4.26Å; L650-F693 HydrophobicContact CB-CZ 4.02Å; L650-F693 HydrophobicContact CD1-CB 3.86Å; L650-F693 HydrophobicContact CD1-CD1 4.3Å; L650-F693 HydrophobicContact CD1-CD2 4.25Å; L650-F693 HydrophobicContact CD1-CG 3.89Å; F651-F693 HydrophobicContact CB-CE2 4.3Å; F651-F693 HydrophobicContact CB-CZ 4.29Å; L673-F693 HydrophobicContact CD2-CD1 4.01Å; L673-F693 HydrophobicContact CD2-CE1 3.76Å; V689-F693 VanDerWaalsContact O-CB 3.31Å; V689-F693 WeakPolarHBondContact O-CB 3.32Å; V689-F693 PolarHBondContact O-N 3.32Å; V690-F693 PolarHBondContact O-N 2.83Å; F693-R695 PolarHBondContact O-N 2.93Å; F693-R696 WeakPolarHBondContact O-CB 3.46Å; F693-R696 PolarHBondContact O-N 2.96Å; F693-Q697 HydrophobicContact CD1-CG 4.4Å; F693-Q697 HydrophobicContact CE1-CG 4.04Å; F693-Q697 HydrophobicContact CZ-CG 4.13Å; F693-Q697 WeakPolarHBondContact O-CG 3.46Å; F693-Q697 PolarHBondContact O-N 3.1Å
694	L	79.6	Confident	75.7	Confident	19 Å²	19	82.6 Å²	82.6	10%	0.099	39%	0.394	C	S	.	.	H	α-helix	trans	-63.5	-40.1	177.9	-72.5	174.3	0	0	0	111.8	L673 M686 V690 Q691 Q697 R698	L673-L694 HydrophobicContact CD2-CD2 4.21Å; M686-L694 HydrophobicContact CE-CD1 3.69Å; V690-L694 HydrophobicContact CG1-CD1 4.17Å; V690-L694 HydrophobicContact CG1-CG 4.48Å; V690-L694 WeakPolarHBondContact O-CB 3.47Å; V690-L694 WeakPolarHBondContact O-CG 3.34Å; V690-L694 PolarHBondContact O-N 3.02Å; Q691-L694 PolarHBondContact O-N 3.38Å; L694-Q697 PolarHBondContact O-N 3.06Å; L694-R698 WeakPolarHBondContact O-CG 3.46Å; L694-R698 PolarHBondContact O-N 3.18Å
695	R	81.4	Confident	77.3	Confident	131 Å²	131	83 Å²	83	49%	0.494	39%	0.389	S	S	.	.	H	α-helix	trans	-61	-44	173.8	-168.1	179.1	-175.5	-170.2	2.3	111	Q691 L692 F693 Q697 R698 R699 D769	Q691-R695 WeakPolarHBondContact O-CB 3.05Å; Q691-R695 PolarHBondContact O-N 2.9Å; L692-R695 PolarHBondContact O-N 3.43Å; F693-R695 PolarHBondContact O-N 2.93Å; R695-Q697 PolarHBondContact O-N 3.16Å; R695-R698 PolarHBondContact O-N 3.28Å; R695-R699 WeakPolarHBondContact O-CB 3.39Å; R695-R699 PolarHBondContact O-N 2.86Å; R695-D769 IonicContact CZ-OD2 2.71Å; R695-D769 IonicContact NH2-OD1 2.78Å; R695-D769 IonicContact NH2-OD2 3.73Å; R695-D769 PolarHBondContact NH2-OD2 3.05Å
696	R	81.3	Confident	78.5	Confident	132 Å²	132	81.3 Å²	81.3	50%	0.498	37%	0.368	S	S	.	.	H	α-helix	trans	-61.6	-41.7	174.4	-173.1	175.8	179	165	2.7	111.6	L692 F693 R699 M700	L692-R696 WeakPolarHBondContact O-CB 3.49Å; L692-R696 PolarHBondContact O-N 2.85Å; F693-R696 WeakPolarHBondContact O-CB 3.46Å; F693-R696 PolarHBondContact O-N 2.96Å; R696-R699 PolarHBondContact O-N 3.41Å; R696-M700 HydrophobicContact CG-CE 4.39Å; R696-M700 WeakPolarHBondContact O-CG 3.39Å; R696-M700 PolarHBondContact O-N 3.25Å
697	Q	78.9	Confident	79.3	Confident	23 Å²	23	87.5 Å²	87.5	11%	0.107	39%	0.389	C	S	.	.	H	α-helix	trans	-65.2	-44.2	175.7	-72.4	-157.7	-24.6	0	0	113	F693 L694 R695 R699 M700 K701	F693-Q697 HydrophobicContact CD1-CG 4.4Å; F693-Q697 HydrophobicContact CE1-CG 4.04Å; F693-Q697 HydrophobicContact CZ-CG 4.13Å; F693-Q697 WeakPolarHBondContact O-CG 3.46Å; F693-Q697 PolarHBondContact O-N 3.1Å; L694-Q697 PolarHBondContact O-N 3.06Å; R695-Q697 PolarHBondContact O-N 3.16Å; Q697-R699 VanDerWaalsContact C-N 3.3Å; Q697-R699 PolarHBondContact O-N 2.87Å; Q697-M700 HydrophobicContact CG-CE 4.45Å; Q697-M700 PolarHBondContact O-N 3.47Å; Q697-K701 WeakPolarHBondContact O-CB 3.3Å; Q697-K701 WeakPolarHBondContact O-CG 3.44Å; Q697-K701 PolarHBondContact O-N 3.13Å
698	R	78.8	Confident	79.7	Confident	159 Å²	159	90.5 Å²	90.5	60%	0.6	40%	0.401	S	S	*	.	H	α-helix	trans	-58.3	-45.5	174	-70.3	-179.6	-150.5	169.8	5.3	110.4	L694 R695 M700 K701 E702	L694-R698 WeakPolarHBondContact O-CG 3.46Å; L694-R698 PolarHBondContact O-N 3.18Å; R695-R698 PolarHBondContact O-N 3.28Å; R698-M700 PolarHBondContact O-N 3.13Å; R698-K701 PolarHBondContact O-N 3.49Å; R698-E702 WeakPolarHBondContact O-CB 3.28Å; R698-E702 WeakPolarHBondContact O-CG 3.38Å; R698-E702 PolarHBondContact O-N 3.23Å
699	R	78.3	Confident	79.9	Confident	80 Å²	80	86.4 Å²	86.4	30%	0.302	37%	0.374	S	S	.	.	H	α-helix	trans	-58.9	-46.5	175.3	-174.1	176.4	173.8	174.9	-2.6	111.7	R695 R696 Q697 E702 V703 L770 E773	R695-R699 WeakPolarHBondContact O-CB 3.39Å; R695-R699 PolarHBondContact O-N 2.86Å; R696-R699 PolarHBondContact O-N 3.41Å; Q697-R699 VanDerWaalsContact C-N 3.3Å; Q697-R699 PolarHBondContact O-N 2.87Å; R699-E702 PolarHBondContact O-N 2.87Å; R699-V703 WeakPolarHBondContact O-CB 3.44Å; R699-V703 VanDerWaalsContact O-CG2 3.26Å; R699-V703 WeakPolarHBondContact O-CG2 3.49Å; R699-V703 PolarHBondContact O-N 2.78Å; R699-L770 HydrophobicContact CG-CD2 4.35Å; R699-E773 IonicContact NH1-OE2 2.74Å; R699-E773 PolarHBondContact NH1-OE2 3.17Å
700	M	76.4	Confident	80.4	Confident	107 Å²	107	90.3 Å²	90.3	53%	0.527	39%	0.394	S	S	.	.	H	α-helix	trans	-64.8	-43.1	177.4	-73.3	-166.2	-65.6	0	0	112.6	R696 Q697 R698 V703 K704	R696-M700 HydrophobicContact CG-CE 4.39Å; R696-M700 WeakPolarHBondContact O-CG 3.39Å; R696-M700 PolarHBondContact O-N 3.25Å; Q697-M700 HydrophobicContact CG-CE 4.45Å; Q697-M700 PolarHBondContact O-N 3.47Å; R698-M700 PolarHBondContact O-N 3.13Å; M700-V703 PolarHBondContact O-N 2.8Å; M700-K704 VanDerWaalsContact O-CB 3.3Å; M700-K704 WeakPolarHBondContact O-CB 3.3Å; M700-K704 PolarHBondContact O-N 3.47Å
701	K	79.6	Confident	80.7	Confident	125 Å²	125	96.2 Å²	96.2	54%	0.543	43%	0.43	S	S	.	.	H	α-helix	trans	-61.7	-43.3	174.5	-75.7	-177.9	179.4	-177.1	0	111.2	Q697 R698 K704 K705	Q697-K701 WeakPolarHBondContact O-CB 3.3Å; Q697-K701 WeakPolarHBondContact O-CG 3.44Å; Q697-K701 PolarHBondContact O-N 3.13Å; R698-K701 PolarHBondContact O-N 3.49Å; K701-K704 PolarHBondContact O-N 3.08Å; K701-K705 VanDerWaalsContact O-CB 3.3Å; K701-K705 WeakPolarHBondContact O-CB 3.41Å; K701-K705 PolarHBondContact O-N 3.35Å
702	E	78.4	Confident	81.1	Confident	59 Å²	59	95.8 Å²	95.8	28%	0.276	44%	0.438	S	S	.	.	H	α-helix	trans	-60.5	-52	174.3	-85.4	-170.5	-146.6	0	0	111.3	R698 R699 K704 K705 R706 A766	R698-E702 WeakPolarHBondContact O-CB 3.28Å; R698-E702 WeakPolarHBondContact O-CG 3.38Å; R698-E702 PolarHBondContact O-N 3.23Å; R699-E702 PolarHBondContact O-N 2.87Å; E702-K704 VanDerWaalsContact C-N 3.29Å; E702-K704 PolarHBondContact O-N 2.91Å; E702-K705 CarbonylContact O-C 3.02Å; E702-K705 WeakPolarHBondContact O-CA 3.31Å; E702-K705 WeakPolarHBondContact O-CB 3.36Å; E702-K705 PolarHBondContact O-N 2.9Å; E702-K705 VanDerWaalsContact O-N 3.13Å; E702-R706 WeakPolarHBondContact O-CG 3.31Å; E702-R706 PolarHBondContact O-N 3.31Å; E702-R706 IonicContact OE2-CZ 3.6Å; E702-R706 IonicContact OE2-NH2 3.79Å; E702-R706 PolarHBondContact OE2-NH2 3.34Å; E702-A766 VanDerWaalsContact OE1-CB 3.28Å; E702-A766 WeakPolarHBondContact OE1-CB 3.26Å
703	V	77.9	Confident	81.4	Confident	52 Å²	52	96.5 Å²	96.5	32%	0.315	44%	0.439	S	S	.	.	H	α-helix	trans	-57.5	-44.2	178.9	169.7	0	0	0	0	110.6	R699 M700 R706 R707	R699-V703 WeakPolarHBondContact O-CB 3.44Å; R699-V703 VanDerWaalsContact O-CG2 3.26Å; R699-V703 WeakPolarHBondContact O-CG2 3.49Å; R699-V703 PolarHBondContact O-N 2.78Å; M700-V703 PolarHBondContact O-N 2.8Å; V703-R706 PolarHBondContact O-N 3.35Å; V703-R706 VanDerWaalsContact O-N 3.14Å; V703-R707 WeakPolarHBondContact O-CG 3.35Å; V703-R707 PolarHBondContact O-N 2.96Å
704	K	78.3	Confident	81.5	Confident	124 Å²	124	102.2 Å²	102.2	54%	0.539	46%	0.46	S	S	.	.	H	α-helix	trans	-60.2	-49.1	174.3	-174	175.4	177.3	179.1	0	111.3	M700 K701 E702 R706 R707 E708	M700-K704 VanDerWaalsContact O-CB 3.3Å; M700-K704 WeakPolarHBondContact O-CB 3.3Å; M700-K704 PolarHBondContact O-N 3.47Å; K701-K704 PolarHBondContact O-N 3.08Å; E702-K704 VanDerWaalsContact C-N 3.29Å; E702-K704 PolarHBondContact O-N 2.91Å; K704-R706 VanDerWaalsContact C-N 3.26Å; K704-R706 PolarHBondContact O-N 2.99Å; K704-R707 CarbonylContact O-C 3.6Å; K704-R707 WeakPolarHBondContact O-CB 3.47Å; K704-R707 PolarHBondContact O-N 3Å; K704-E708 WeakPolarHBondContact CE-OE1 3.41Å; K704-E708 HydrophobicContact CG-CG 4.45Å; K704-E708 WeakPolarHBondContact CG-OE1 3.48Å; K704-E708 IonicContact NZ-OE1 2.68Å; K704-E708 WeakPolarHBondContact O-CB 3.29Å; K704-E708 WeakPolarHBondContact O-CG 3.44Å; K704-E708 PolarHBondContact O-N 3.34Å
705	K	81.7	Confident	81.9	Confident	151 Å²	151	106.2 Å²	106.2	66%	0.657	48%	0.481	S	S	*	.	H	α-helix	trans	-56.9	-37.7	172.5	-175	178.9	-179	178.3	0	111.6	K701 E702 A709	K701-K705 VanDerWaalsContact O-CB 3.3Å; K701-K705 WeakPolarHBondContact O-CB 3.41Å; K701-K705 PolarHBondContact O-N 3.35Å; E702-K705 CarbonylContact O-C 3.02Å; E702-K705 WeakPolarHBondContact O-CA 3.31Å; E702-K705 WeakPolarHBondContact O-CB 3.36Å; E702-K705 PolarHBondContact O-N 2.9Å; E702-K705 VanDerWaalsContact O-N 3.13Å; K705-A709 WeakPolarHBondContact O-CA 3.4Å; K705-A709 VanDerWaalsContact O-CB 3.31Å; K705-A709 WeakPolarHBondContact O-CB 3.25Å; K705-A709 PolarHBondContact O-N 2.94Å
706	R	78.4	Confident	82.3	Confident	96 Å²	96	104.8 Å²	104.8	36%	0.362	48%	0.483	S	S	.	.	H	α-helix	trans	-69.2	-37.4	176.4	-49.3	-152.7	-177.6	157.2	2.5	111.8	E702 V703 K704 A709 R717	E702-R706 WeakPolarHBondContact O-CG 3.31Å; E702-R706 PolarHBondContact O-N 3.31Å; E702-R706 IonicContact OE2-CZ 3.6Å; E702-R706 IonicContact OE2-NH2 3.79Å; E702-R706 PolarHBondContact OE2-NH2 3.34Å; V703-R706 PolarHBondContact O-N 3.35Å; V703-R706 VanDerWaalsContact O-N 3.14Å; K704-R706 VanDerWaalsContact C-N 3.26Å; K704-R706 PolarHBondContact O-N 2.99Å; R706-A709 WeakPolarHBondContact O-CB 3.37Å; R706-R717 VanDerWaalsContact CG-NH1 3.29Å
707	R	75.4	Confident	82.4	Confident	191 Å²	191	103 Å²	103	72%	0.721	48%	0.477	S	S	*	.	H	α-helix	trans	-69.6	-41.1	176.2	-74.7	-177.5	179.5	-174.8	0.9	111.5	V703 K704 A709 R714	V703-R707 WeakPolarHBondContact O-CG 3.35Å; V703-R707 PolarHBondContact O-N 2.96Å; K704-R707 CarbonylContact O-C 3.6Å; K704-R707 WeakPolarHBondContact O-CB 3.47Å; K704-R707 PolarHBondContact O-N 3Å; R707-A709 VanDerWaalsContact C-N 3.32Å; R707-R714 PolarHBondContact O-NH2 3.47Å
708	E	83.8	Confident	82.8	Confident	129 Å²	129	107.8 Å²	107.8	60%	0.603	50%	0.497	S	S	*	.	H	α-helix	trans	-82.2	-9.6	179.3	-67.3	171.9	177.1	0	0	113.1	K704 N710	K704-E708 WeakPolarHBondContact CE-OE1 3.41Å; K704-E708 HydrophobicContact CG-CG 4.45Å; K704-E708 WeakPolarHBondContact CG-OE1 3.48Å; K704-E708 IonicContact NZ-OE1 2.68Å; K704-E708 WeakPolarHBondContact O-CB 3.29Å; K704-E708 WeakPolarHBondContact O-CG 3.44Å; K704-E708 PolarHBondContact O-N 3.34Å; E708-N710 PolarHBondContact O-N 3.27Å
709	A	85.3	Confident	83.2	Confident	6 Å²	6	103.8 Å²	103.8	5%	0.05	49%	0.49	C	S	.	.			trans	-58.5	132.3	179.4	0	0	0	0	0	112.5	K705 R706 R707 E713 R714	K705-A709 WeakPolarHBondContact O-CA 3.4Å; K705-A709 VanDerWaalsContact O-CB 3.31Å; K705-A709 WeakPolarHBondContact O-CB 3.25Å; K705-A709 PolarHBondContact O-N 2.94Å; R706-A709 WeakPolarHBondContact O-CB 3.37Å; R707-A709 VanDerWaalsContact C-N 3.32Å; A709-E713 WeakPolarHBondContact CA-OE2 3.39Å; A709-E713 HydrophobicContact CB-CB 4.19Å; A709-E713 VanDerWaalsContact CB-OE2 3.28Å; A709-E713 WeakPolarHBondContact CB-OE2 3.46Å; A709-R714 HydrophobicContact CB-CG 4.11Å; A709-R714 PolarHBondContact O-NE 3.5Å
710	N	90.4	Very high	83.7	Confident	115 Å²	115	101.2 Å²	101.2	62%	0.615	48%	0.484	S	S	*	.			trans	-63.9	158.8	176.5	-70.9	-26.5	0	0	0	111.7	E708 C712 E713 R714	E708-N710 PolarHBondContact O-N 3.27Å; N710-C712 PolarHBondContact O-N 2.94Å; N710-C712 VanDerWaalsContact O-N 3.16Å; N710-E713 PolarHBondContact O-N 3.45Å; N710-R714 PolarHBondContact O-N 2.99Å
711	V	87.3	Confident	84.2	Confident	125 Å²	125	102.9 Å²	102.9	76%	0.758	49%	0.488	S	S	*	.	H	α-helix	trans	-53.8	-39.1	-179.8	178.4	0	0	0	0	111.8	R714 L715	V711-R714 PolarHBondContact O-N 3.04Å; V711-L715 WeakPolarHBondContact O-CB 3.25Å; V711-L715 PolarHBondContact O-N 3.16Å
712	C	89.3	Confident	84.6	Confident	99 Å²	99	98.9 Å²	98.9	67%	0.669	47%	0.471	S	S	*	.	H	α-helix	trans	-63	-43.8	177.7	-168.2	0	0	0	0	112.5	N710 L715 N716	N710-C712 PolarHBondContact O-N 2.94Å; N710-C712 VanDerWaalsContact O-N 3.16Å; C712-L715 PolarHBondContact O-N 2.98Å; C712-N716 WeakPolarHBondContact O-CB 3.42Å; C712-N716 PolarHBondContact O-N 3.34Å
713	E	86.9	Confident	85.1	Confident	93 Å²	93	102.7 Å²	102.7	44%	0.435	48%	0.483	S	S	.	.	H	α-helix	trans	-67.8	-38.3	177.9	-66.1	179.9	174.2	0	0	112.2	A709 N710 N716 R717	A709-E713 WeakPolarHBondContact CA-OE2 3.39Å; A709-E713 HydrophobicContact CB-CB 4.19Å; A709-E713 VanDerWaalsContact CB-OE2 3.28Å; A709-E713 WeakPolarHBondContact CB-OE2 3.46Å; N710-E713 PolarHBondContact O-N 3.45Å; E713-N716 PolarHBondContact O-N 2.9Å; E713-R717 WeakPolarHBondContact O-CB 3.38Å; E713-R717 WeakPolarHBondContact O-CG 3.29Å; E713-R717 PolarHBondContact O-N 3.28Å; E713-R717 PolarHBondContact O-NE 3.01Å
714	R	84.4	Confident	85.7	Confident	130 Å²	130	103.3 Å²	103.3	49%	0.491	48%	0.48	S	S	.	.	H	α-helix	trans	-63	-44.2	173.6	-66.2	179.3	-177.2	-159.4	0.4	110.8	R707 A709 N710 V711 F718	R707-R714 PolarHBondContact O-NH2 3.47Å; A709-R714 HydrophobicContact CB-CG 4.11Å; A709-R714 PolarHBondContact O-NE 3.5Å; N710-R714 PolarHBondContact O-N 2.99Å; V711-R714 PolarHBondContact O-N 3.04Å; R714-F718 WeakPolarHBondContact O-CB 3.39Å; R714-F718 PolarHBondContact O-N 3.16Å
715	L	88.2	Confident	86.1	Confident	104 Å²	104	99.1 Å²	99.1	55%	0.545	46%	0.463	S	S	.	.	H	α-helix	trans	-64.9	-42.1	177.1	-176.4	63.9	0	0	0	111.7	V711 C712 F718 T719	V711-L715 WeakPolarHBondContact O-CB 3.25Å; V711-L715 PolarHBondContact O-N 3.16Å; C712-L715 PolarHBondContact O-N 2.98Å; L715-F718 PolarHBondContact O-N 2.79Å; L715-T719 WeakPolarHBondContact O-CB 3.42Å; L715-T719 PolarHBondContact O-N 3.1Å; L715-T719 PolarHBondContact O-OG1 3.32Å
716	N	88.6	Confident	86.5	Confident	100 Å²	100	96 Å²	96	54%	0.535	45%	0.453	S	S	.	.	H	α-helix	trans	-60.9	-52.4	176.8	-172.2	40.6	0	0	0	110.7	C712 E713 F718 T719 V720	C712-N716 WeakPolarHBondContact O-CB 3.42Å; C712-N716 PolarHBondContact O-N 3.34Å; E713-N716 PolarHBondContact O-N 2.9Å; N716-F718 VanDerWaalsContact C-N 3.31Å; N716-F718 PolarHBondContact O-N 2.93Å; N716-T719 PolarHBondContact O-N 2.82Å; N716-T719 VanDerWaalsContact O-N 3.09Å; N716-V720 VanDerWaalsContact O-CG2 3.3Å; N716-V720 WeakPolarHBondContact O-CG2 3.4Å; N716-V720 PolarHBondContact O-N 3.25Å
717	R	84.6	Confident	87.1	Confident	96 Å²	96	93.5 Å²	93.5	36%	0.362	44%	0.444	S	S	.	.	H	α-helix	trans	-58.2	-42.2	177	-73.4	-175.1	-65.6	-178.2	0.5	112.7	R706 E713 K721	R706-R717 VanDerWaalsContact CG-NH1 3.29Å; E713-R717 WeakPolarHBondContact O-CB 3.38Å; E713-R717 WeakPolarHBondContact O-CG 3.29Å; E713-R717 PolarHBondContact O-N 3.28Å; E713-R717 PolarHBondContact O-NE 3.01Å; R717-K721 VanDerWaalsContact O-CB 3.28Å; R717-K721 WeakPolarHBondContact O-CB 3.37Å; R717-K721 PolarHBondContact O-N 2.59Å
718	F	86.7	Confident	87.9	Confident	122 Å²	122	85.1 Å²	85.1	54%	0.535	41%	0.412	S	S	.	.	H	α-helix	trans	-60.5	-48.9	174.7	175	-93.2	0	0	0	111.2	R714 L715 N716 V720 K721 K722	R714-F718 WeakPolarHBondContact O-CB 3.39Å; R714-F718 PolarHBondContact O-N 3.16Å; L715-F718 PolarHBondContact O-N 2.79Å; N716-F718 VanDerWaalsContact C-N 3.31Å; N716-F718 PolarHBondContact O-N 2.93Å; F718-V720 PolarHBondContact O-N 3.35Å; F718-K721 PolarHBondContact O-N 2.75Å; F718-K722 HydrophobicContact CD1-CG 4.22Å; F718-K722 HydrophobicContact CD2-CG 4.36Å; F718-K722 HydrophobicContact CE1-CG 3.86Å; F718-K722 HydrophobicContact CE2-CD 4.34Å; F718-K722 HydrophobicContact CE2-CG 4.04Å; F718-K722 HydrophobicContact CG-CG 4.46Å; F718-K722 HydrophobicContact CZ-CD 4.24Å; F718-K722 HydrophobicContact CZ-CG 3.78Å; F718-K722 WeakPolarHBondContact O-CB 3.27Å; F718-K722 VanDerWaalsContact O-CG 3.26Å; F718-K722 WeakPolarHBondContact O-CG 3.31Å; F718-K722 PolarHBondContact O-N 3.41Å
719	T	88.2	Confident	88.2	Confident	75 Å²	75	79.2 Å²	79.2	46%	0.46	39%	0.386	S	S	.	.	H	α-helix	trans	-62.4	-45.7	-178.2	-56.4	0	0	0	0	111.2	L715 N716 K722 Y723	L715-T719 WeakPolarHBondContact O-CB 3.42Å; L715-T719 PolarHBondContact O-N 3.1Å; L715-T719 PolarHBondContact O-OG1 3.32Å; N716-T719 PolarHBondContact O-N 2.82Å; N716-T719 VanDerWaalsContact O-N 3.09Å; T719-K722 PolarHBondContact O-N 3.3Å; T719-Y723 WeakPolarHBondContact O-CB 3.41Å; T719-Y723 PolarHBondContact O-N 3.37Å
720	V	88.7	Confident	88.6	Confident	27 Å²	27	86 Å²	86	16%	0.164	41%	0.414	C	S	.	.	H	α-helix	trans	-63.1	-47.3	178.1	177.3	0	0	0	0	111.1	N716 F718 K722 Y723 Y724 E761	N716-V720 VanDerWaalsContact O-CG2 3.3Å; N716-V720 WeakPolarHBondContact O-CG2 3.4Å; N716-V720 PolarHBondContact O-N 3.25Å; F718-V720 PolarHBondContact O-N 3.35Å; V720-K722 VanDerWaalsContact C-N 3.32Å; V720-K722 PolarHBondContact O-N 2.76Å; V720-Y723 WeakPolarHBondContact O-CB 3.36Å; V720-Y723 PolarHBondContact O-N 2.63Å; V720-Y723 VanDerWaalsContact O-N 3.16Å; V720-Y724 HydrophobicContact CG1-CD2 3.75Å; V720-Y724 HydrophobicContact CG1-CE2 3.68Å; V720-Y724 WeakPolarHBondContact O-CD2 3.45Å; V720-Y724 PolarHBondContact O-N 3.31Å; V720-E761 VanDerWaalsContact CG1-CD 3.45Å; V720-E761 HydrophobicContact CG1-CG 4.26Å; V720-E761 WeakPolarHBondContact CG1-OE2 3.34Å
721	K	85.4	Confident	88.8	Confident	141 Å²	141	82.3 Å²	82.3	61%	0.613	40%	0.395	S	S	*	.	H	α-helix	trans	-58.5	-43	176	-176.4	177.4	-179.6	178.5	0	112.1	R717 F718 M725	R717-K721 VanDerWaalsContact O-CB 3.28Å; R717-K721 WeakPolarHBondContact O-CB 3.37Å; R717-K721 PolarHBondContact O-N 2.59Å; F718-K721 PolarHBondContact O-N 2.75Å; K721-M725 WeakPolarHBondContact O-CB 3.12Å; K721-M725 PolarHBondContact O-N 2.93Å
722	K	88.4	Confident	89.1	Confident	42 Å²	42	76.9 Å²	76.9	18%	0.183	36%	0.361	C	S	.	.	H	α-helix	trans	-69.4	-36.4	177.4	-67.4	-63.6	-179.5	179.8	0	111.8	F718 T719 V720 M725 L726	F718-K722 HydrophobicContact CD1-CG 4.22Å; F718-K722 HydrophobicContact CD2-CG 4.36Å; F718-K722 HydrophobicContact CE1-CG 3.86Å; F718-K722 HydrophobicContact CE2-CD 4.34Å; F718-K722 HydrophobicContact CE2-CG 4.04Å; F718-K722 HydrophobicContact CG-CG 4.46Å; F718-K722 HydrophobicContact CZ-CD 4.24Å; F718-K722 HydrophobicContact CZ-CG 3.78Å; F718-K722 WeakPolarHBondContact O-CB 3.27Å; F718-K722 VanDerWaalsContact O-CG 3.26Å; F718-K722 WeakPolarHBondContact O-CG 3.31Å; F718-K722 PolarHBondContact O-N 3.41Å; T719-K722 PolarHBondContact O-N 3.3Å; V720-K722 VanDerWaalsContact C-N 3.32Å; V720-K722 PolarHBondContact O-N 2.76Å; K722-M725 HydrophobicContact CD-CE 3.96Å; K722-M725 HydrophobicContact CD-SD 4.45Å; K722-M725 PolarHBondContact O-N 3.38Å; K722-L726 WeakPolarHBondContact O-CB 3.26Å; K722-L726 VanDerWaalsContact O-CG 3.29Å; K722-L726 WeakPolarHBondContact O-CG 3.45Å; K722-L726 PolarHBondContact O-N 2.84Å
723	Y	90.3	Very high	89.3	Confident	138 Å²	138	73.1 Å²	73.1	54%	0.541	34%	0.335	S	S	.	.	H	α-helix	trans	-59.9	-52.3	174.9	171.4	-99.3	0	0	0	111.6	T719 V720 M725 L726 R727	T719-Y723 WeakPolarHBondContact O-CB 3.41Å; T719-Y723 PolarHBondContact O-N 3.37Å; V720-Y723 WeakPolarHBondContact O-CB 3.36Å; V720-Y723 PolarHBondContact O-N 2.63Å; V720-Y723 VanDerWaalsContact O-N 3.16Å; Y723-M725 VanDerWaalsContact C-N 3.34Å; Y723-M725 PolarHBondContact O-N 3.01Å; Y723-L726 PolarHBondContact O-N 3.5Å; Y723-R727 VanDerWaalsContact O-CB 3.25Å; Y723-R727 WeakPolarHBondContact O-CB 3.28Å; Y723-R727 PolarHBondContact O-N 2.86Å
724	Y	88.8	Confident	89.7	Confident	65 Å²	65	70.9 Å²	70.9	26%	0.255	33%	0.332	S	S	.	.	H	α-helix	trans	-64.6	-37	179.8	-80.6	-78.4	0	0	0	112.8	V720 R728 M759 E761	V720-Y724 HydrophobicContact CG1-CD2 3.75Å; V720-Y724 HydrophobicContact CG1-CE2 3.68Å; V720-Y724 WeakPolarHBondContact O-CD2 3.45Å; V720-Y724 PolarHBondContact O-N 3.31Å; Y724-R728 WeakPolarHBondContact O-CB 3.2Å; Y724-R728 PolarHBondContact O-N 3.17Å; Y724-M759 WeakPolarHBondContact CD1-O 3.19Å; Y724-E761 HydrophobicContact CD2-CB 4.17Å; Y724-E761 HydrophobicContact CE2-CB 3.6Å; Y724-E761 HydrophobicContact CE2-CG 4.04Å
725	M	87.6	Confident	90.2	Very high	36 Å²	36	65.7 Å²	65.7	18%	0.177	31%	0.314	C	S	.	.	H	α-helix	trans	-61.3	-50.6	173.3	179.5	-151.9	-68.4	0	0	111.7	Q101 K721 K722 Y723 R728 A729	Q101-M725 HydrophobicContact CB-SD 4.48Å; Q101-M725 HydrophobicContact CG-CE 4.41Å; Q101-M725 HydrophobicContact CG-SD 3.82Å; K721-M725 WeakPolarHBondContact O-CB 3.12Å; K721-M725 PolarHBondContact O-N 2.93Å; K722-M725 HydrophobicContact CD-CE 3.96Å; K722-M725 HydrophobicContact CD-SD 4.45Å; K722-M725 PolarHBondContact O-N 3.38Å; Y723-M725 VanDerWaalsContact C-N 3.34Å; Y723-M725 PolarHBondContact O-N 3.01Å; M725-R728 PolarHBondContact O-N 3.09Å; M725-A729 WeakPolarHBondContact O-CB 3.29Å; M725-A729 PolarHBondContact O-N 3.4Å
726	L	89.1	Confident	90.4	Very high	86 Å²	86	60.8 Å²	60.8	45%	0.45	29%	0.289	S	S	.	.	H	α-helix	trans	-67	-39.2	-179.6	-71.5	172.3	0	0	0	111.7	T100 K722 Y723 A729 F730	T100-L726 HydrophobicContact CG2-CD2 4.47Å; K722-L726 WeakPolarHBondContact O-CB 3.26Å; K722-L726 VanDerWaalsContact O-CG 3.29Å; K722-L726 WeakPolarHBondContact O-CG 3.45Å; K722-L726 PolarHBondContact O-N 2.84Å; Y723-L726 PolarHBondContact O-N 3.5Å; L726-A729 PolarHBondContact O-N 2.93Å; L726-F730 WeakPolarHBondContact O-CB 3.37Å; L726-F730 PolarHBondContact O-N 3.39Å
727	R	91.9	Very high	90.8	Very high	44 Å²	44	59.4 Å²	59.4	17%	0.166	28%	0.28	C	S	.	.	H	α-helix	trans	-57.7	-49.9	173.1	175.4	-179.6	169.6	-90.4	-6.5	110.5	Y723 F730 L731 F756 M759	Y723-R727 VanDerWaalsContact O-CB 3.25Å; Y723-R727 WeakPolarHBondContact O-CB 3.28Å; Y723-R727 PolarHBondContact O-N 2.86Å; R727-F730 PolarHBondContact O-N 3.49Å; R727-L731 HydrophobicContact CG-CD1 3.77Å; R727-L731 HydrophobicContact CG-CG 4.36Å; R727-L731 WeakPolarHBondContact O-CB 3.24Å; R727-L731 VanDerWaalsContact O-CG 3.29Å; R727-L731 WeakPolarHBondContact O-CG 3.44Å; R727-L731 PolarHBondContact O-N 2.79Å; R727-F756 PolarHBondContact NH1-O 3.32Å; R727-F756 PolarHBondContact NH2-O 3.49Å; R727-M759 PolarHBondContact NH1-O 2.94Å
728	R	91.2	Very high	91.3	Very high	14 Å²	14	57.9 Å²	57.9	5%	0.053	27%	0.274	C	S	.	.	H	α-helix	trans	-60.1	-47.7	176.9	-175.2	-178	-166.1	-81.4	0.4	111.3	S106 D109 Y724 M725 F730 L731 M732 N758	S106-R728 WeakPolarHBondContact O-CD 3.24Å; S106-R728 PolarHBondContact O-NH1 2.82Å; D109-R728 VanDerWaalsContact CG-NH2 3.34Å; D109-R728 IonicContact OD1-CZ 2.93Å; D109-R728 IonicContact OD1-NH1 3.1Å; D109-R728 PolarHBondContact OD1-NH1 2.68Å; D109-R728 IonicContact OD1-NH2 3.63Å; D109-R728 PolarHBondContact OD1-NH2 3.39Å; D109-R728 IonicContact OD2-CZ 2.76Å; D109-R728 IonicContact OD2-NH1 3.88Å; D109-R728 IonicContact OD2-NH2 3.97Å; D109-R728 PolarHBondContact OD2-NH2 3.41Å; Y724-R728 WeakPolarHBondContact O-CB 3.2Å; Y724-R728 PolarHBondContact O-N 3.17Å; M725-R728 PolarHBondContact O-N 3.09Å; R728-F730 VanDerWaalsContact C-N 3.3Å; R728-F730 PolarHBondContact O-N 3.11Å; R728-L731 PolarHBondContact O-N 2.88Å; R728-M732 HydrophobicContact CG-CG 3.97Å; R728-M732 WeakPolarHBondContact O-CB 3.46Å; R728-M732 VanDerWaalsContact O-CG 3.3Å; R728-M732 WeakPolarHBondContact O-CG 3.37Å; R728-M732 PolarHBondContact O-N 2.93Å; R728-N758 PolarHBondContact NE-OD1 3.08Å; R728-N758 PolarHBondContact NH2-OD1 3.05Å
729	A	91.1	Very high	91.6	Very high	6 Å²	6	52.6 Å²	52.6	5%	0.05	25%	0.252	C	S	.	.	H	α-helix	trans	-55.1	-47.8	178.2	0	0	0	0	0	111.6	L105 M725 L726 T733	L105-A729 HydrophobicContact CG-CB 4.39Å; M725-A729 WeakPolarHBondContact O-CB 3.29Å; M725-A729 PolarHBondContact O-N 3.4Å; L726-A729 PolarHBondContact O-N 2.93Å; A729-T733 WeakPolarHBondContact O-CB 3.32Å; A729-T733 PolarHBondContact O-N 2.79Å; A729-T733 PolarHBondContact O-OG1 3.28Å
730	F	93.3	Very high	91.9	Very high	147 Å²	147	51.6 Å²	51.6	65%	0.645	24%	0.243	S	C	*	.	H	α-helix	trans	-63	-50	178.2	179.4	-96.3	0	0	0	112.1	L726 R727 R728 T733 A734	L726-F730 WeakPolarHBondContact O-CB 3.37Å; L726-F730 PolarHBondContact O-N 3.39Å; R727-F730 PolarHBondContact O-N 3.49Å; R728-F730 VanDerWaalsContact C-N 3.3Å; R728-F730 PolarHBondContact O-N 3.11Å; F730-T733 PolarHBondContact O-N 3.19Å; F730-A734 WeakPolarHBondContact O-CB 3.38Å; F730-A734 PolarHBondContact O-N 3.14Å
731	L	94.3	Very high	92.3	Very high	39 Å²	39	54.2 Å²	54.2	20%	0.204	27%	0.267	C	S	.	.	H	α-helix	trans	-63	-47.5	-178.3	-70.9	173.4	0	0	0	112	R727 R728 T733 A734 I735 F756 A757	R727-L731 HydrophobicContact CG-CD1 3.77Å; R727-L731 HydrophobicContact CG-CG 4.36Å; R727-L731 WeakPolarHBondContact O-CB 3.24Å; R727-L731 VanDerWaalsContact O-CG 3.29Å; R727-L731 WeakPolarHBondContact O-CG 3.44Å; R727-L731 PolarHBondContact O-N 2.79Å; R728-L731 PolarHBondContact O-N 2.88Å; L731-T733 VanDerWaalsContact C-N 3.32Å; L731-T733 PolarHBondContact O-N 2.8Å; L731-A734 PolarHBondContact O-N 2.92Å; L731-I735 VanDerWaalsContact O-CG1 3.26Å; L731-I735 WeakPolarHBondContact O-CG1 3.48Å; L731-I735 PolarHBondContact O-N 3.27Å; L731-F756 HydrophobicContact CD1-CD1 3.93Å; L731-F756 HydrophobicContact CD1-CE1 3.85Å; L731-F756 HydrophobicContact CD2-CE1 4.38Å; L731-A757 HydrophobicContact CB-CB 3.87Å; L731-A757 HydrophobicContact CD1-CB 4.24Å
732	M	94	Very high	92.7	Very high	11 Å²	11	53.1 Å²	53.1	5%	0.054	27%	0.272	C	S	.	.	H	α-helix	trans	-63.3	-40	178.2	-68.1	-62	-68.6	0	0	111.7	D109 Y136 R728 I735 A736 V754 A757	D109-M732 HydrophobicContact CB-CE 4.29Å; Y136-M732 HydrophobicContact CE1-CB 3.79Å; Y136-M732 WeakPolarHBondContact OH-CB 3.45Å; R728-M732 HydrophobicContact CG-CG 3.97Å; R728-M732 WeakPolarHBondContact O-CB 3.46Å; R728-M732 VanDerWaalsContact O-CG 3.3Å; R728-M732 WeakPolarHBondContact O-CG 3.37Å; R728-M732 PolarHBondContact O-N 2.93Å; M732-I735 PolarHBondContact O-N 3.05Å; M732-I735 HydrophobicContact SD-CD1 4.36Å; M732-A736 WeakPolarHBondContact O-CB 3.41Å; M732-A736 PolarHBondContact O-N 3.17Å; M732-V754 HydrophobicContact CE-CG2 4.42Å; M732-V754 HydrophobicContact SD-CG1 4.49Å; M732-V754 HydrophobicContact SD-CG2 4.38Å; M732-A757 HydrophobicContact CG-CB 4.13Å; M732-A757 HydrophobicContact SD-CB 3.75Å
733	T	94.4	Very high	92.8	Very high	20 Å²	20	52.9 Å²	52.9	12%	0.123	28%	0.282	C	S	.	.	H	α-helix	trans	-63.5	-43.6	174	-58.7	0	0	0	0	111.2	V140 A729 F730 L731 I735 A736 M737	V140-T733 HydrophobicContact CG2-CG2 3.27Å; A729-T733 WeakPolarHBondContact O-CB 3.32Å; A729-T733 PolarHBondContact O-N 2.79Å; A729-T733 PolarHBondContact O-OG1 3.28Å; F730-T733 PolarHBondContact O-N 3.19Å; L731-T733 VanDerWaalsContact C-N 3.32Å; L731-T733 PolarHBondContact O-N 2.8Å; T733-I735 PolarHBondContact O-N 3.04Å; T733-A736 PolarHBondContact O-N 3.35Å; T733-M737 HydrophobicContact CG2-CG 4.15Å; T733-M737 WeakPolarHBondContact O-CB 3.31Å; T733-M737 WeakPolarHBondContact O-CG 3.28Å; T733-M737 PolarHBondContact O-N 2.97Å
734	A	94.7	Very high	92.8	Very high	45 Å²	45	52.4 Å²	52.4	37%	0.372	29%	0.288	S	S	.	.	H	α-helix	trans	-63.5	-41.6	178.6	0	0	0	0	0	112	F730 L731 M737 R738	F730-A734 WeakPolarHBondContact O-CB 3.38Å; F730-A734 PolarHBondContact O-N 3.14Å; L731-A734 PolarHBondContact O-N 2.92Å; A734-M737 PolarHBondContact O-N 3.27Å; A734-R738 WeakPolarHBondContact O-CB 3.49Å; A734-R738 PolarHBondContact O-N 3.29Å
735	I	93.9	Very high	93	Very high	21 Å²	21	50.5 Å²	50.5	11%	0.108	28%	0.284	C	S	.	.	H	α-helix	trans	-58.5	-51.2	173.6	-69.6	163.4	0	0	0	110	L731 M732 T733 R738 N739 L750 E753 A757	L731-I735 VanDerWaalsContact O-CG1 3.26Å; L731-I735 WeakPolarHBondContact O-CG1 3.48Å; L731-I735 PolarHBondContact O-N 3.27Å; M732-I735 PolarHBondContact O-N 3.05Å; M732-I735 HydrophobicContact SD-CD1 4.36Å; T733-I735 PolarHBondContact O-N 3.04Å; I735-R738 WeakPolarHBondContact O-CB 3.27Å; I735-R738 PolarHBondContact O-N 3.03Å; I735-N739 PolarHBondContact O-N 3.26Å; I735-N739 PolarHBondContact O-OD1 3.13Å; I735-L750 HydrophobicContact CG2-CD1 3.8Å; I735-E753 HydrophobicContact CD1-CB 3.86Å; I735-E753 HydrophobicContact CG1-CB 4.35Å; I735-A757 HydrophobicContact CD1-CB 4.49Å
736	A	94.3	Very high	93.3	Very high	2 Å²	2	53.2 Å²	53.2	2%	0.017	30%	0.304	C	S	.	.	H	α-helix	trans	-61.7	-46.1	179.7	0	0	0	0	0	112.6	D133 Y136 M732 T733 R738 N739 L740	D133-A736 HydrophobicContact CB-CB 4.2Å; D133-A736 WeakPolarHBondContact OD1-CA 3.17Å; D133-A736 WeakPolarHBondContact OD1-CB 3.09Å; Y136-A736 HydrophobicContact CD1-CB 4.5Å; Y136-A736 HydrophobicContact CD2-CB 3.65Å; Y136-A736 HydrophobicContact CG-CB 3.66Å; M732-A736 WeakPolarHBondContact O-CB 3.41Å; M732-A736 PolarHBondContact O-N 3.17Å; T733-A736 PolarHBondContact O-N 3.35Å; A736-R738 VanDerWaalsContact C-N 3.31Å; A736-R738 PolarHBondContact O-N 3.13Å; A736-N739 WeakPolarHBondContact O-CB 3.41Å; A736-N739 PolarHBondContact O-N 3.17Å; A736-N739 VanDerWaalsContact O-N 3.15Å; A736-L740 WeakPolarHBondContact O-CG 3.5Å; A736-L740 PolarHBondContact O-N 3.39Å
737	M	95.1	Very high	93.3	Very high	70 Å²	70	55.5 Å²	55.5	35%	0.345	32%	0.316	S	S	.	.	H	α-helix	trans	-63.5	-37.3	178.3	-69.8	-55.9	-57.4	0	0	112.1	L137 T733 A734 L740 A741	L137-M737 HydrophobicContact CB-SD 4.29Å; L137-M737 HydrophobicContact CD1-CE 3.94Å; L137-M737 HydrophobicContact CD1-SD 3.92Å; T733-M737 HydrophobicContact CG2-CG 4.15Å; T733-M737 WeakPolarHBondContact O-CB 3.31Å; T733-M737 WeakPolarHBondContact O-CG 3.28Å; T733-M737 PolarHBondContact O-N 2.97Å; A734-M737 PolarHBondContact O-N 3.27Å; M737-L740 HydrophobicContact SD-CD1 4.33Å; M737-A741 WeakPolarHBondContact O-CB 3.48Å; M737-A741 PolarHBondContact O-N 3.13Å; M737-A741 VanDerWaalsContact O-N 3.14Å
738	R	95.3	Very high	93.3	Very high	64 Å²	64	60.2 Å²	60.2	24%	0.242	34%	0.34	C	S	.	.	H	α-helix	trans	-62.8	-49.2	171.3	179.2	-150.7	63.4	-164.8	-15.8	110.5	A734 I735 A736 L740 A741 V742 E753	A734-R738 WeakPolarHBondContact O-CB 3.49Å; A734-R738 PolarHBondContact O-N 3.29Å; I735-R738 WeakPolarHBondContact O-CB 3.27Å; I735-R738 PolarHBondContact O-N 3.03Å; A736-R738 VanDerWaalsContact C-N 3.31Å; A736-R738 PolarHBondContact O-N 3.13Å; R738-L740 PolarHBondContact O-N 2.99Å; R738-A741 PolarHBondContact O-N 3.23Å; R738-V742 HydrophobicContact CG-CG2 3.58Å; R738-V742 VanDerWaalsContact O-CG2 3.25Å; R738-V742 WeakPolarHBondContact O-CG2 2.81Å; R738-V742 PolarHBondContact O-N 3.14Å; R738-E753 IonicContact CZ-OE1 3.33Å; R738-E753 IonicContact CZ-OE2 2.96Å; R738-E753 IonicContact NH1-OE1 2.58Å; R738-E753 PolarHBondContact NH1-OE1 2.71Å; R738-E753 IonicContact NH1-OE2 3.14Å; R738-E753 PolarHBondContact NH1-OE2 2.96Å; R738-E753 IonicContact NH2-OE2 3.9Å; R738-E753 PolarHBondContact NH2-OE2 2.82Å
739	N	94.5	Very high	93.4	Very high	12 Å²	12	63.9 Å²	63.9	6%	0.064	36%	0.357	C	S	.	.	H	α-helix	trans	-56.6	-39	-179.5	-65.9	-7.8	0	0	0	111.8	D133 I735 A736 G743 P745	D133-N739 PolarHBondContact OD1-ND2 3.38Å; D133-N739 WeakPolarHBondContact OD2-CB 3.48Å; D133-N739 PolarHBondContact OD2-ND2 2.8Å; I735-N739 PolarHBondContact O-N 3.26Å; I735-N739 PolarHBondContact O-OD1 3.13Å; A736-N739 WeakPolarHBondContact O-CB 3.41Å; A736-N739 PolarHBondContact O-N 3.17Å; A736-N739 VanDerWaalsContact O-N 3.15Å; N739-G743 CarbonylContact O-C 3.47Å; N739-G743 WeakPolarHBondContact O-CA 3.48Å; N739-G743 PolarHBondContact O-N 3.26Å; N739-P745 WeakPolarHBondContact OD1-CD 3.38Å
740	L	94.8	Very high	93.3	Very high	54 Å²	54	65.2 Å²	65.2	28%	0.283	36%	0.363	S	S	.	.	H	α-helix	trans	-67.1	-35.9	174.6	-67.5	176	0	0	0	113.3	D133 Y134 L137 A736 M737 R738	D133-L740 HydrophobicContact CB-CD2 3.86Å; D133-L740 HydrophobicContact CB-CG 3.94Å; Y134-L740 HydrophobicContact CD1-CD2 4.12Å; Y134-L740 HydrophobicContact CD2-CD2 3.82Å; Y134-L740 HydrophobicContact CE1-CD2 3.96Å; Y134-L740 HydrophobicContact CE2-CD2 3.65Å; Y134-L740 HydrophobicContact CG-CD2 4.06Å; L137-L740 HydrophobicContact CB-CD1 3.93Å; L137-L740 HydrophobicContact CD2-CD1 4.22Å; A736-L740 WeakPolarHBondContact O-CG 3.5Å; A736-L740 PolarHBondContact O-N 3.39Å; M737-L740 HydrophobicContact SD-CD1 4.33Å; R738-L740 PolarHBondContact O-N 2.99Å
741	A	95.3	Very high	93.1	Very high	81 Å²	81	62.2 Å²	62.2	67%	0.669	36%	0.358	S	S	*	.	H	α-helix	trans	-82	-39.6	-174.9	0	0	0	0	0	113.7	M737 R738	M737-A741 WeakPolarHBondContact O-CB 3.48Å; M737-A741 PolarHBondContact O-N 3.13Å; M737-A741 VanDerWaalsContact O-N 3.14Å; R738-A741 PolarHBondContact O-N 3.23Å
742	V	94.5	Very high	93	Very high	119 Å²	119	69.1 Å²	69.1	72%	0.721	38%	0.381	S	S	*	.	H	α-helix	trans	-123.6	-0.4	-172.6	-61.4	0	0	0	0	114.2	R738	R738-V742 HydrophobicContact CG-CG2 3.58Å; R738-V742 VanDerWaalsContact O-CG2 3.25Å; R738-V742 WeakPolarHBondContact O-CG2 2.81Å; R738-V742 PolarHBondContact O-N 3.14Å
743	G	91.4	Very high	92.9	Very high	37 Å²	37	70.8 Å²	70.8	38%	0.381	39%	0.388	S	S	.	.			trans	91.7	169.7	-177.5	0	0	0	0	0	113.9	N739	N739-G743 CarbonylContact O-C 3.47Å; N739-G743 WeakPolarHBondContact O-CA 3.48Å; N739-G743 PolarHBondContact O-N 3.26Å
744	L	90.4	Very high	92.7	Very high	127 Å²	127	71.6 Å²	71.6	67%	0.665	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-70.3	126.2	179.4	-82	148.5	0	0	0	110.7	L750	L744-L750 HydrophobicContact CD2-CD2 4.23Å
745	P	92.5	Very high	92.5	Very high	26 Å²	26	72.1 Å²	72.1	17%	0.169	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-72.3	172.4	172.4	35.6	-40.2	0	0	0	111.2	N739 Q749 L750	N739-P745 WeakPolarHBondContact OD1-CD 3.38Å; P745-Q749 HydrophobicContact CB-CB 4.45Å; P745-Q749 HydrophobicContact CB-CG 4.4Å; P745-L750 HydrophobicContact CG-CB 4.22Å; P745-L750 HydrophobicContact CG-CD1 4.41Å
746	P	93.5	Very high	92.3	Very high	93 Å²	93	76.3 Å²	76.3	60%	0.604	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-53.6	144.7	171	-24.7	34.5	0	0	0	112.5	E748 Q749 L750	P746-E748 VanDerWaalsContact C-N 3.3Å; P746-E748 PolarHBondContact O-N 2.75Å; P746-Q749 WeakPolarHBondContact O-CB 3.48Å; P746-Q749 PolarHBondContact O-N 2.85Å; P746-L750 PolarHBondContact O-N 3.32Å; P746-L750 VanDerWaalsContact O-N 3.11Å
747	L	90	Very high	92.1	Very high	133 Å²	133	76.3 Å²	76.3	70%	0.696	42%	0.415	S	S	*	.	H	α-helix	trans	-56.2	-41.8	-173.3	-173.6	65.7	0	0	0	112.6	Q749 L750 T751	L747-Q749 VanDerWaalsContact C-N 3.3Å; L747-Q749 PolarHBondContact O-N 3.43Å; L747-L750 PolarHBondContact O-N 3.22Å; L747-T751 PolarHBondContact O-N 2.79Å; L747-T751 PolarHBondContact O-OG1 3.47Å
748	E	91.4	Very high	91.8	Very high	144 Å²	144	75.3 Å²	75.3	67%	0.673	41%	0.412	S	S	*	.	H	α-helix	trans	-59.2	-40.2	178.3	-67.3	-176.1	-175.3	0	0	113	P746 R752	P746-E748 VanDerWaalsContact C-N 3.3Å; P746-E748 PolarHBondContact O-N 2.75Å; E748-R752 WeakPolarHBondContact O-CG 3.3Å; E748-R752 PolarHBondContact O-N 2.99Å; E748-R752 VanDerWaalsContact O-N 3.15Å
749	Q	92.4	Very high	91.2	Very high	90 Å²	90	76.6 Å²	76.6	42%	0.421	42%	0.421	S	S	.	.	H	α-helix	trans	-67.1	-46.8	176.7	178.9	179.4	-9	0	0	110.1	P745 P746 L747 T751 R752 E753	P745-Q749 HydrophobicContact CB-CB 4.45Å; P745-Q749 HydrophobicContact CB-CG 4.4Å; P746-Q749 WeakPolarHBondContact O-CB 3.48Å; P746-Q749 PolarHBondContact O-N 2.85Å; L747-Q749 VanDerWaalsContact C-N 3.3Å; L747-Q749 PolarHBondContact O-N 3.43Å; Q749-T751 VanDerWaalsContact C-N 3.33Å; Q749-T751 PolarHBondContact O-N 2.82Å; Q749-R752 PolarHBondContact O-N 2.85Å; Q749-E753 HydrophobicContact CG-CG 4.47Å; Q749-E753 WeakPolarHBondContact CG-OE1 3.43Å; Q749-E753 PolarHBondContact NE2-OE1 2.72Å; Q749-E753 WeakPolarHBondContact O-CG 3.33Å; Q749-E753 PolarHBondContact O-N 3.46Å
750	L	89.8	Confident	90.2	Very high	34 Å²	34	81.9 Å²	81.9	18%	0.178	44%	0.444	C	S	.	.	H	α-helix	trans	-59.5	-43.8	178.8	-172.9	63.4	0	0	0	111.5	I735 L744 P745 P746 L747 R752 E753 V754	I735-L750 HydrophobicContact CG2-CD1 3.8Å; L744-L750 HydrophobicContact CD2-CD2 4.23Å; P745-L750 HydrophobicContact CG-CB 4.22Å; P745-L750 HydrophobicContact CG-CD1 4.41Å; P746-L750 PolarHBondContact O-N 3.32Å; P746-L750 VanDerWaalsContact O-N 3.11Å; L747-L750 PolarHBondContact O-N 3.22Å; L750-R752 PolarHBondContact O-N 3.48Å; L750-E753 PolarHBondContact O-N 3.35Å; L750-V754 HydrophobicContact CD1-CG2 4.45Å; L750-V754 WeakPolarHBondContact O-CB 3.41Å; L750-V754 VanDerWaalsContact O-CG2 3.32Å; L750-V754 WeakPolarHBondContact O-CG2 3.07Å; L750-V754 PolarHBondContact O-N 3.3Å
751	T	89.4	Confident	88.8	Confident	85 Å²	85	84 Å²	84	52%	0.521	45%	0.452	S	S	.	.	H	α-helix	trans	-62	-42.4	178	-53.5	0	0	0	0	111.8	L747 Q749 A755	L747-T751 PolarHBondContact O-N 2.79Å; L747-T751 PolarHBondContact O-OG1 3.47Å; Q749-T751 VanDerWaalsContact C-N 3.33Å; Q749-T751 PolarHBondContact O-N 2.82Å; T751-A755 VanDerWaalsContact O-CB 3.28Å; T751-A755 WeakPolarHBondContact O-CB 3.49Å; T751-A755 PolarHBondContact O-N 3.16Å
752	R	92	Very high	86.7	Confident	184 Å²	184	85.5 Å²	85.5	69%	0.694	46%	0.455	S	S	*	.	H	α-helix	trans	-64.5	-41.6	176.4	-72.8	178	-170.3	174.1	7.4	112.3	E748 Q749 L750 A755 F756	E748-R752 WeakPolarHBondContact O-CG 3.3Å; E748-R752 PolarHBondContact O-N 2.99Å; E748-R752 VanDerWaalsContact O-N 3.15Å; Q749-R752 PolarHBondContact O-N 2.85Å; L750-R752 PolarHBondContact O-N 3.48Å; R752-A755 PolarHBondContact O-N 3.39Å; R752-F756 WeakPolarHBondContact O-CB 3.32Å; R752-F756 PolarHBondContact O-N 3.04Å
753	E	91.8	Very high	84.3	Confident	45 Å²	45	87.5 Å²	87.5	21%	0.21	46%	0.456	C	S	.	.	H	α-helix	trans	-65	-44.5	178.2	-71.7	171.1	179.8	0	0	111.9	I735 R738 Q749 L750 F756 A757	I735-E753 HydrophobicContact CD1-CB 3.86Å; I735-E753 HydrophobicContact CG1-CB 4.35Å; R738-E753 IonicContact CZ-OE1 3.33Å; R738-E753 IonicContact CZ-OE2 2.96Å; R738-E753 IonicContact NH1-OE1 2.58Å; R738-E753 PolarHBondContact NH1-OE1 2.71Å; R738-E753 IonicContact NH1-OE2 3.14Å; R738-E753 PolarHBondContact NH1-OE2 2.96Å; R738-E753 IonicContact NH2-OE2 3.9Å; R738-E753 PolarHBondContact NH2-OE2 2.82Å; Q749-E753 HydrophobicContact CG-CG 4.47Å; Q749-E753 WeakPolarHBondContact CG-OE1 3.43Å; Q749-E753 PolarHBondContact NE2-OE1 2.72Å; Q749-E753 WeakPolarHBondContact O-CG 3.33Å; Q749-E753 PolarHBondContact O-N 3.46Å; L750-E753 PolarHBondContact O-N 3.35Å; E753-F756 WeakPolarHBondContact O-CB 3.26Å; E753-F756 PolarHBondContact O-N 2.96Å; E753-A757 PolarHBondContact O-N 2.88Å
754	V	90.3	Very high	81.9	Confident	38 Å²	38	90.3 Å²	90.3	23%	0.23	47%	0.467	C	S	.	.	H	α-helix	trans	-65.1	-40.6	175.4	172.7	0	0	0	0	110.8	M732 L750 F756 A757 N758	M732-V754 HydrophobicContact CE-CG2 4.42Å; M732-V754 HydrophobicContact SD-CG1 4.49Å; M732-V754 HydrophobicContact SD-CG2 4.38Å; L750-V754 HydrophobicContact CD1-CG2 4.45Å; L750-V754 WeakPolarHBondContact O-CB 3.41Å; L750-V754 VanDerWaalsContact O-CG2 3.32Å; L750-V754 WeakPolarHBondContact O-CG2 3.07Å; L750-V754 PolarHBondContact O-N 3.3Å; V754-F756 VanDerWaalsContact C-N 3.35Å; V754-F756 PolarHBondContact O-N 3.03Å; V754-A757 PolarHBondContact O-N 2.97Å; V754-N758 WeakPolarHBondContact O-CB 3.39Å; V754-N758 VanDerWaalsContact O-CG 3.28Å; V754-N758 PolarHBondContact O-N 3.41Å; V754-N758 PolarHBondContact O-ND2 3.29Å
755	A	89.5	Confident	79.5	Confident	56 Å²	56	92 Å²	92	46%	0.463	47%	0.471	S	S	.	.	H	α-helix	trans	-60.4	-43.9	174.1	0	0	0	0	0	111.7	T751 R752 A757 N758 M759	T751-A755 VanDerWaalsContact O-CB 3.28Å; T751-A755 WeakPolarHBondContact O-CB 3.49Å; T751-A755 PolarHBondContact O-N 3.16Å; R752-A755 PolarHBondContact O-N 3.39Å; A755-A757 VanDerWaalsContact C-N 3.33Å; A755-A757 PolarHBondContact O-N 2.91Å; A755-N758 CarbonylContact O-C 3.59Å; A755-N758 PolarHBondContact O-N 3.44Å; A755-N758 VanDerWaalsContact O-N 3.14Å; A755-M759 WeakPolarHBondContact O-CG 3.33Å; A755-M759 PolarHBondContact O-N 3.13Å; A755-M759 VanDerWaalsContact O-N 3.11Å
756	F	91.4	Very high	77.1	Confident	109 Å²	109	92.3 Å²	92.3	48%	0.478	48%	0.476	S	S	.	.	H	α-helix	trans	-62.2	-39.5	175.3	-179.7	-95.1	0	0	0	112.5	R727 L731 R752 E753 V754 N758 M759	R727-F756 PolarHBondContact NH1-O 3.32Å; R727-F756 PolarHBondContact NH2-O 3.49Å; L731-F756 HydrophobicContact CD1-CD1 3.93Å; L731-F756 HydrophobicContact CD1-CE1 3.85Å; L731-F756 HydrophobicContact CD2-CE1 4.38Å; R752-F756 WeakPolarHBondContact O-CB 3.32Å; R752-F756 PolarHBondContact O-N 3.04Å; E753-F756 WeakPolarHBondContact O-CB 3.26Å; E753-F756 PolarHBondContact O-N 2.96Å; V754-F756 VanDerWaalsContact C-N 3.35Å; V754-F756 PolarHBondContact O-N 3.03Å; F756-N758 VanDerWaalsContact C-N 3.31Å; F756-M759 HydrophobicContact CB-CE 4.44Å; F756-M759 HydrophobicContact CD2-CE 3.11Å; F756-M759 HydrophobicContact CD2-SD 4.33Å; F756-M759 HydrophobicContact CE2-CE 3.31Å; F756-M759 HydrophobicContact CG-CE 3.85Å; F756-M759 HydrophobicContact CZ-CE 4.19Å; F756-M759 PolarHBondContact O-N 3.29Å
757	A	89.3	Confident	74.7	Confident	2 Å²	2	91.1 Å²	91.1	2%	0.017	47%	0.469	C	S	.	.	H	α-helix	trans	-67.2	-32.7	174.6	0	0	0	0	0	112.4	L731 M732 I735 E753 V754 A755	L731-A757 HydrophobicContact CB-CB 3.87Å; L731-A757 HydrophobicContact CD1-CB 4.24Å; M732-A757 HydrophobicContact CG-CB 4.13Å; M732-A757 HydrophobicContact SD-CB 3.75Å; I735-A757 HydrophobicContact CD1-CB 4.49Å; E753-A757 PolarHBondContact O-N 2.88Å; V754-A757 PolarHBondContact O-N 2.97Å; A755-A757 VanDerWaalsContact C-N 3.33Å; A755-A757 PolarHBondContact O-N 2.91Å
758	N	87.7	Confident	72.1	Confident	49 Å²	49	90.4 Å²	90.4	26%	0.262	46%	0.463	S	S	.	.	H	α-helix	trans	-80.5	-10.1	178.3	-75.8	-24.9	0	0	0	114.6	R728 V754 A755 F756 K760	R728-N758 PolarHBondContact NE-OD1 3.08Å; R728-N758 PolarHBondContact NH2-OD1 3.05Å; V754-N758 WeakPolarHBondContact O-CB 3.39Å; V754-N758 VanDerWaalsContact O-CG 3.28Å; V754-N758 PolarHBondContact O-N 3.41Å; V754-N758 PolarHBondContact O-ND2 3.29Å; A755-N758 CarbonylContact O-C 3.59Å; A755-N758 PolarHBondContact O-N 3.44Å; A755-N758 VanDerWaalsContact O-N 3.14Å; F756-N758 VanDerWaalsContact C-N 3.31Å; N758-K760 PolarHBondContact O-N 3.06Å; N758-K760 VanDerWaalsContact O-N 3.11Å
759	M	83.6	Confident	69.4	Low	91 Å²	91	87.7 Å²	87.7	45%	0.448	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-56.1	120.6	177.2	-68.9	-168.1	-55.5	0	0	110.7	Y724 R727 A755 F756	Y724-M759 WeakPolarHBondContact CD1-O 3.19Å; R727-M759 PolarHBondContact NH1-O 2.94Å; A755-M759 WeakPolarHBondContact O-CG 3.33Å; A755-M759 PolarHBondContact O-N 3.13Å; A755-M759 VanDerWaalsContact O-N 3.11Å; F756-M759 HydrophobicContact CB-CE 4.44Å; F756-M759 HydrophobicContact CD2-CE 3.11Å; F756-M759 HydrophobicContact CD2-SD 4.33Å; F756-M759 HydrophobicContact CE2-CE 3.31Å; F756-M759 HydrophobicContact CG-CE 3.85Å; F756-M759 HydrophobicContact CZ-CE 4.19Å; F756-M759 PolarHBondContact O-N 3.29Å
760	K	72.6	Confident	66.8	Low	123 Å²	123	85 Å²	85	54%	0.535	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-91.2	172.5	172.1	-62.5	-177.6	-174.9	176.2	0	109.5	N758 Q768	N758-K760 PolarHBondContact O-N 3.06Å; N758-K760 VanDerWaalsContact O-N 3.11Å; K760-Q768 VanDerWaalsContact NZ-NE2 3.13Å
761	E	66.9	Low	64.2	Low	98 Å²	98	91.1 Å²	91.1	46%	0.458	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-50.3	139.8	171.1	-168.1	174.9	-170.9	0	0	111	V720 Y724 E763	V720-E761 VanDerWaalsContact CG1-CD 3.45Å; V720-E761 HydrophobicContact CG1-CG 4.26Å; V720-E761 WeakPolarHBondContact CG1-OE2 3.34Å; Y724-E761 HydrophobicContact CD2-CB 4.17Å; Y724-E761 HydrophobicContact CE2-CB 3.6Å; Y724-E761 HydrophobicContact CE2-CG 4.04Å; E761-E763 PolarHBondContact O-N 3.36Å; E761-E763 VanDerWaalsContact O-N 3.1Å
762	P	50.4	Low	61.3	Low	113 Å²	113	93.9 Å²	93.9	73%	0.734	48%	0.478	S	S	*	.	S	Bend	trans	-60.9	114.6	172.4	22.3	-29.1	0	0	0	109.9
763	E	44.9	Very low	58.5	Low	160 Å²	160	89.9 Å²	89.9	75%	0.748	47%	0.467	S	S	*	.			trans	40.3	96	168.9	-68.3	177.4	-165.2	0	0	118.9	E761 E765	E761-E763 PolarHBondContact O-N 3.36Å; E761-E763 VanDerWaalsContact O-N 3.1Å; E763-E765 HydrophobicContact CG-CG 4.24Å
764	T	41	Very low	55.4	Low	97 Å²	97	91.5 Å²	91.5	60%	0.595	48%	0.48	S	S	*	.				-128.3	92.9	121.6	24.5	0	0	0	0	107.1	A766 S767	T764-A766 PolarHBondContact O-N 3.43Å; T764-S767 PolarHBondContact O-N 3.17Å; T764-S767 PolarHBondContact O-OG 3.34Å
765	E	38.2	Very low	52.3	Low	162 Å²	162	92.8 Å²	92.8	76%	0.757	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-56.4	-15.6	-174.8	-70.3	-171.3	133.9	0	0	114.4	E763 S767	E763-E765 HydrophobicContact CG-CG 4.24Å; E765-S767 VanDerWaalsContact C-N 3.28Å; E765-S767 PolarHBondContact O-N 3.23Å
766	A	42.2	Very low	49.3	Very low	32 Å²	32	96.7 Å²	96.7	26%	0.264	51%	0.509	S	S	.	.	G	3₁₀ helix	trans	-76.5	-4	-176.7	0	0	0	0	0	115.7	E702 T764 L770	E702-A766 VanDerWaalsContact OE1-CB 3.28Å; E702-A766 WeakPolarHBondContact OE1-CB 3.26Å; T764-A766 PolarHBondContact O-N 3.43Å; A766-L770 WeakPolarHBondContact O-CD1 3.15Å
767	S	43.2	Very low	46	Very low	68 Å²	68	97.6 Å²	97.6	48%	0.476	52%	0.519	S	S	.	.	G	3₁₀ helix	trans	-85.6	-13.9	-168	56.6	0	0	0	0	115.6	T764 E765	T764-S767 PolarHBondContact O-N 3.17Å; T764-S767 PolarHBondContact O-OG 3.34Å; E765-S767 VanDerWaalsContact C-N 3.28Å; E765-S767 PolarHBondContact O-N 3.23Å
768	Q	36.4	Very low	43	Very low	119 Å²	119	105.4 Å²	105.4	56%	0.556	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	-39	-179.2	-125.8	163.9	-46.7	0	0	112.9	K760 L770 K771	K760-Q768 VanDerWaalsContact NZ-NE2 3.13Å; Q768-L770 PolarHBondContact O-N 3.34Å; Q768-K771 PolarHBondContact O-N 3.08Å
769	D	34.9	Very low	40	Very low	86 Å²	86	111.1 Å²	111.1	46%	0.46	59%	0.585	S	S	.	*	H	α-helix	trans	-65.5	-23.4	174.9	-64.7	-37.6	0	0	0	113.1	R695 K771	R695-D769 IonicContact CZ-OD2 2.71Å; R695-D769 IonicContact NH2-OD1 2.78Å; R695-D769 IonicContact NH2-OD2 3.73Å; R695-D769 PolarHBondContact NH2-OD2 3.05Å; D769-K771 PolarHBondContact O-N 2.67Å
770	L	38.1	Very low	37.8	Very low	34 Å²	34	112.2 Å²	112.2	18%	0.178	59%	0.592	C	S	.	*	H	α-helix	trans	-72.7	-8.3	178.4	-90.7	165.6	0	0	0	114.3	R699 A766 Q768 V774	R699-L770 HydrophobicContact CG-CD2 4.35Å; A766-L770 WeakPolarHBondContact O-CD1 3.15Å; Q768-L770 PolarHBondContact O-N 3.34Å; L770-V774 WeakPolarHBondContact O-CG2 3.31Å
771	K	33.5	Very low	36	Very low	163 Å²	163	111.6 Å²	111.6	71%	0.709	60%	0.595	S	S	*	*	H	α-helix	trans	-104.1	-29.3	178	-96.7	-171.1	170.9	-165.3	0	113.6	Q768 D769 E773	Q768-K771 PolarHBondContact O-N 3.08Å; D769-K771 PolarHBondContact O-N 2.67Å; K771-E773 VanDerWaalsContact C-N 3.27Å; K771-E773 PolarHBondContact O-N 2.75Å
772	D	29.2	Very low	34.2	Very low	143 Å²	143	112.3 Å²	112.3	77%	0.765	60%	0.602	S	S	*	*	H	α-helix	trans	-81.1	-9	-178.9	-68.5	-28.1	0	0	0	112.7
773	E	33.1	Very low	33.3	Very low	99 Å²	99	112.3 Å²	112.3	46%	0.463	60%	0.595	S	S	.	*	S	Bend	trans	-114.8	-1.8	176	-87.5	-171.4	177.4	0	0	116	R699 K771 G775 H776	R699-E773 IonicContact NH1-OE2 2.74Å; R699-E773 PolarHBondContact NH1-OE2 3.17Å; K771-E773 VanDerWaalsContact C-N 3.27Å; K771-E773 PolarHBondContact O-N 2.75Å; E773-G775 PolarHBondContact O-N 3Å; E773-H776 PolarHBondContact O-N 3.07Å
774	V	27.2	Very low	32.6	Very low	80 Å²	80	109.3 Å²	109.3	49%	0.485	59%	0.585	S	S	.	*	G	3₁₀ helix	trans	-64.6	-13.3	175	-168.4	0	0	0	0	111.5	L770 H776	L770-V774 WeakPolarHBondContact O-CG2 3.31Å; V774-H776 PolarHBondContact O-N 3.19Å
775	G	25.7	Very low	32	Very low	65 Å²	65	110.1 Å²	110.1	67%	0.67	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-72.4	-2	168.7	0	0	0	0	0	115	E773	E773-G775 PolarHBondContact O-N 3Å
776	H	25.5	Very low	31.6	Very low	137 Å²	137	106.4 Å²	106.4	63%	0.634	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-117.5	18.6	176.9	-77.3	-64.3	0	0	0	113.1	E773 V774 E778	E773-H776 PolarHBondContact O-N 3.07Å; V774-H776 PolarHBondContact O-N 3.19Å; H776-E778 PolarHBondContact O-N 2.68Å
777	D	22.7	Very low	30.7	Very low	129 Å²	129	112.2 Å²	112.2	69%	0.69	60%	0.596	S	S	*	*			trans	-75	13.7	164.5	-83.7	-20.1	0	0	0	112.2
778	E	26.1	Very low	29.7	Very low	166 Å²	166	115.8 Å²	115.8	78%	0.776	61%	0.606	S	S	*	*			trans	-108.9	74.9	160.9	-71.3	-179	177.6	0	0	108.4	H776	H776-E778 PolarHBondContact O-N 2.68Å
779	L	24.1	Very low	29.1	Very low	169 Å²	169	115.5 Å²	115.5	89%	0.885	61%	0.61	S	S	*	*			trans	-147.3	0	150.5	-91	171.5	0	0	0	107.9

Retrieved 779 of 779 residues in 5688.5 ms (Link to these results)

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