A0A087XU83_POEFO Loading...

nucleoside-triphosphate phosphatase

AlphaFold DB , UniProt , Accession A0A087XU83, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 604 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	40.6	Very low	36.4	Very low	253 Å²	253	151.5 Å²	151.5	100%	1.246	86%	0.864	S	S	*	*				0	112	0	-77.6	179.6	-160.7	0	0	108.3
2	A	34.2	Very low	36.6	Very low	101 Å²	101	147.3 Å²	147.3	84%	0.835	85%	0.851	S	S	*	*			trans	-133.8	119	167.9	0	0	0	0	0	106.6
3	R	29.6	Very low	36.4	Very low	250 Å²	250	155.3 Å²	155.3	94%	0.943	86%	0.859	S	S	*	*			trans	-77.1	137.2	-178.7	-81.5	179.4	172.8	177.4	-2.5	109.4
4	I	34.8	Very low	36.4	Very low	156 Å²	156	159.9 Å²	159.9	80%	0.8	86%	0.859	S	S	*	*			trans	-107.5	120	166.5	-60.4	173	0	0	0	106.6
5	T	33.4	Very low	36.2	Very low	132 Å²	132	157.2 Å²	157.2	81%	0.81	86%	0.855	S	S	*	*			trans	-107.1	130.1	167.9	37.6	0	0	0	0	108.6
6	L	33.3	Very low	36.3	Very low	166 Å²	166	154.8 Å²	154.8	87%	0.869	85%	0.854	S	S	*	*			trans	-104.6	130.1	174.1	-88.9	132.4	0	0	0	109.4
7	S	29.4	Very low	36.5	Very low	117 Å²	117	152.6 Å²	152.6	82%	0.818	85%	0.845	S	S	*	*			trans	-129.1	142.7	166.2	51.3	0	0	0	0	110.5
8	C	37.3	Very low	36.5	Very low	129 Å²	129	149.5 Å²	149.5	87%	0.872	84%	0.836	S	S	*	*			trans	-76	128.3	-172.5	-65.6	0	0	0	0	113.3
9	L	35.3	Very low	36.8	Very low	159 Å²	159	149.3 Å²	149.3	83%	0.832	83%	0.832	S	S	*	*			trans	32.4	156.2	149.6	-65.9	170.4	0	0	0	121.2
10	P	50.8	Low	37.3	Very low	114 Å²	114	149.8 Å²	149.8	74%	0.74	83%	0.832	S	S	*	*			cis	-128.9	169.4	1.1	32.6	-11.7	0	0	0	114.4
11	A	41.9	Very low	37.7	Very low	89 Å²	89	147.5 Å²	147.5	74%	0.736	83%	0.826	S	S	*	*	S	Bend	trans	79.3	125.5	168.4	0	0	0	0	0	118.7
12	S	39	Very low	37.8	Very low	101 Å²	101	142.2 Å²	142.2	71%	0.706	80%	0.803	S	S	*	*			trans	66.1	101.5	171.5	67.6	0	0	0	0	117.5
13	W	33.5	Very low	38.5	Very low	252 Å²	252	146.1 Å²	146.1	96%	0.955	81%	0.81	S	S	*	*			trans	-87.1	108.8	165.3	-69.9	70.5	0	0	0	108.9
14	Y	36.6	Very low	39.3	Very low	219 Å²	219	137.5 Å²	137.5	86%	0.859	79%	0.787	S	S	*	*			trans	-101.6	112	159.6	-80.8	-85.4	0	0	0	108.5
15	C	33.4	Very low	40.3	Very low	120 Å²	120	133 Å²	133	81%	0.811	77%	0.772	S	S	*	*			trans	-94.5	109	167.3	-161.2	0	0	0	0	107.6
16	S	37.3	Very low	41.5	Very low	119 Å²	119	132.7 Å²	132.7	83%	0.832	77%	0.771	S	S	*	*			trans	-99.8	111.4	169.7	56.5	0	0	0	0	108.8
17	V	39.9	Very low	42.6	Very low	117 Å²	117	133 Å²	133	71%	0.709	77%	0.765	S	S	*	*			trans	-93.5	113.1	169.1	179.6	0	0	0	0	106.9	L19	V17-L19 PolarHBondContact O-N 2.85Å
18	S	36.4	Very low	43.8	Very low	97 Å²	97	132.9 Å²	132.9	68%	0.678	75%	0.752	S	S	*	*			trans	-64.1	113.3	170.4	179.6	0	0	0	0	109.3	L20	S18-L20 PolarHBondContact O-N 3.29Å
19	L	42.7	Very low	44.9	Very low	146 Å²	146	135 Å²	135	76%	0.764	74%	0.741	S	S	*	*			trans	-81.2	39.9	-177.9	-101.7	159.2	0	0	0	112.8	V17	V17-L19 PolarHBondContact O-N 2.85Å
20	L	46.7	Very low	46.4	Very low	158 Å²	158	133.4 Å²	133.4	83%	0.827	73%	0.733	S	S	*	*			trans	-134.5	55.8	-175.6	-83.6	159.8	0	0	0	112.1	S18	S18-L20 PolarHBondContact O-N 3.29Å
21	S	46.7	Very low	47.2	Very low	102 Å²	102	133.5 Å²	133.5	71%	0.713	73%	0.727	S	S	*	*	S	Bend	trans	-164.9	43.1	158.5	61.8	0	0	0	0	114.5
22	L	41	Very low	48.6	Very low	143 Å²	143	135.9 Å²	135.9	75%	0.749	72%	0.721	S	S	*	*			trans	-141.7	98.9	158.8	-87.9	106.6	0	0	0	110.3	C24	L22-C24 HydrophobicContact CB-CB 4.42Å; L22-C24 HydrophobicContact CD2-CB 4.12Å; L22-C24 PolarHBondContact O-N 3.11Å
23	N	48.8	Very low	50.3	Low	183 Å²	183	136.5 Å²	136.5	98%	0.979	72%	0.715	S	S	*	*			trans	-64.8	84	149.3	-94.1	-10.1	0	0	0	107.3
24	C	46.2	Very low	52.5	Low	69 Å²	69	129.2 Å²	129.2	47%	0.466	70%	0.695	S	S	.	*			trans	-145	128.7	170	-145.3	0	0	0	0	111.2	L22	L22-C24 HydrophobicContact CB-CB 4.42Å; L22-C24 HydrophobicContact CD2-CB 4.12Å; L22-C24 PolarHBondContact O-N 3.11Å
25	A	57.2	Low	54.3	Low	60 Å²	60	123.8 Å²	123.8	50%	0.496	68%	0.68	S	S	.	*			trans	-14.6	138.2	-176.1	0	0	0	0	0	119.4	K27 Q28	A25-K27 PolarHBondContact O-N 2.94Å; A25-Q28 PolarHBondContact O-N 3.33Å
26	T	58	Low	56.4	Low	127 Å²	127	122.5 Å²	122.5	78%	0.779	66%	0.664	S	S	*	*	H	α-helix	trans	-41.9	-26.6	165.8	39.1	0	0	0	0	114.9	L30	T26-L30 PolarHBondContact O-N 3.34Å
27	K	55.7	Low	58.6	Low	172 Å²	172	123.5 Å²	123.5	75%	0.748	65%	0.654	S	S	*	*	H	α-helix	trans	-64.8	-34.9	175.6	-69.7	-173.9	176.7	-178	0	114.3	A25 L31	A25-K27 PolarHBondContact O-N 2.94Å; K27-L31 PolarHBondContact O-N 2.92Å; K27-L31 VanDerWaalsContact O-N 3.08Å
28	Q	55.7	Low	60.6	Low	114 Å²	114	122 Å²	122	53%	0.533	64%	0.641	S	S	.	*	H	α-helix	trans	-74.9	-34.5	179.4	-85.3	177.5	-26	0	0	112.5	A25 L31 F32	A25-Q28 PolarHBondContact O-N 3.33Å; Q28-L31 PolarHBondContact O-N 3.2Å; Q28-F32 PolarHBondContact O-N 2.93Å
29	R	59.1	Low	62.5	Low	174 Å²	174	120.3 Å²	120.3	66%	0.657	63%	0.627	S	S	*	*	H	α-helix	trans	-65.4	-39.6	172.2	-73.7	-173.6	178.2	-172.4	-0.6	111.8	F32 L33	R29-F32 PolarHBondContact O-N 3.38Å; R29-L33 WeakPolarHBondContact O-CB 3.41Å; R29-L33 WeakPolarHBondContact O-CG 3.28Å; R29-L33 PolarHBondContact O-N 3.01Å
30	L	67	Low	64	Low	125 Å²	125	116 Å²	116	65%	0.654	61%	0.609	S	S	*	*	H	α-helix	trans	-64.3	-42.2	175.9	-154.6	84	0	0	0	111.3	T26 F32 L33 L34	T26-L30 PolarHBondContact O-N 3.34Å; L30-F32 PolarHBondContact O-N 3.23Å; L30-L33 PolarHBondContact O-N 3.39Å; L30-L34 WeakPolarHBondContact O-CB 3.39Å; L30-L34 PolarHBondContact O-N 3.37Å
31	L	68.8	Low	65.7	Low	116 Å²	116	112 Å²	112	61%	0.607	59%	0.591	S	S	*	*	H	α-helix	trans	-64.3	-40.5	178.9	-148.1	94	0	0	0	112.1	K27 Q28 L34 L35	K27-L31 PolarHBondContact O-N 2.92Å; K27-L31 VanDerWaalsContact O-N 3.08Å; Q28-L31 PolarHBondContact O-N 3.2Å; L31-L34 PolarHBondContact O-N 3.4Å; L31-L35 PolarHBondContact O-N 2.95Å
32	F	71.8	Confident	67.2	Low	140 Å²	140	112.1 Å²	112.1	61%	0.614	58%	0.583	S	S	*	*	H	α-helix	trans	-69.9	-39.7	179	-158.6	-96	0	0	0	112.2	Q28 R29 L30 L34 L35 L36	Q28-F32 PolarHBondContact O-N 2.93Å; R29-F32 PolarHBondContact O-N 3.38Å; L30-F32 PolarHBondContact O-N 3.23Å; F32-L34 VanDerWaalsContact C-N 3.35Å; F32-L35 PolarHBondContact O-N 3.49Å; F32-L36 HydrophobicContact CD1-CD1 3.74Å; F32-L36 HydrophobicContact CD1-CG 4.34Å; F32-L36 HydrophobicContact CE1-CD1 3.72Å; F32-L36 HydrophobicContact CE1-CG 4.26Å; F32-L36 WeakPolarHBondContact O-CG 3.33Å; F32-L36 PolarHBondContact O-N 2.92Å
33	L	74.7	Confident	68.9	Low	113 Å²	113	111 Å²	111	59%	0.592	58%	0.577	S	S	*	*	H	α-helix	trans	-65.3	-38.4	173.2	-73.9	169.5	0	0	0	111.9	R29 L30 L35 L36 F37	R29-L33 WeakPolarHBondContact O-CB 3.41Å; R29-L33 WeakPolarHBondContact O-CG 3.28Å; R29-L33 PolarHBondContact O-N 3.01Å; L30-L33 PolarHBondContact O-N 3.39Å; L33-L35 VanDerWaalsContact C-N 3.35Å; L33-L36 PolarHBondContact O-N 2.92Å; L33-F37 WeakPolarHBondContact O-CB 3.36Å; L33-F37 PolarHBondContact O-N 3Å
34	L	78.6	Confident	70.1	Confident	100 Å²	100	107 Å²	107	52%	0.524	56%	0.556	S	S	.	*	H	α-helix	trans	-64	-41.6	174.9	-155.4	98	0	0	0	111.2	L30 L31 F32 F37 I38	L30-L34 WeakPolarHBondContact O-CB 3.39Å; L30-L34 PolarHBondContact O-N 3.37Å; L31-L34 PolarHBondContact O-N 3.4Å; F32-L34 VanDerWaalsContact C-N 3.35Å; L34-F37 PolarHBondContact O-N 3.24Å; L34-I38 HydrophobicContact CD2-CD1 3.98Å; L34-I38 HydrophobicContact CG-CD1 4.23Å; L34-I38 WeakPolarHBondContact O-CD1 3.31Å; L34-I38 VanDerWaalsContact O-CG1 3.24Å; L34-I38 WeakPolarHBondContact O-CG1 3.44Å; L34-I38 PolarHBondContact O-N 2.97Å
35	L	75.1	Confident	71.3	Confident	105 Å²	105	106.1 Å²	106.1	55%	0.55	55%	0.553	S	S	.	*	H	α-helix	trans	-64.6	-43.3	177.5	-123.8	117.4	0	0	0	111.8	L31 F32 L33 F37 I38 T39	L31-L35 PolarHBondContact O-N 2.95Å; F32-L35 PolarHBondContact O-N 3.49Å; L33-L35 VanDerWaalsContact C-N 3.35Å; L35-F37 VanDerWaalsContact C-N 3.32Å; L35-F37 PolarHBondContact O-N 3.41Å; L35-I38 PolarHBondContact O-N 3.3Å; L35-T39 WeakPolarHBondContact O-CG2 3.44Å; L35-T39 PolarHBondContact O-N 3.27Å; L35-T39 PolarHBondContact O-OG1 3.35Å; L35-T39 VanDerWaalsContact O-OG1 3.13Å
36	L	77.7	Confident	72	Confident	92 Å²	92	107 Å²	107	48%	0.482	55%	0.552	S	S	.	*	H	α-helix	trans	-64.3	-36.4	175.5	-78.2	168.7	0	0	0	112.6	F32 L33 T39 S40	F32-L36 HydrophobicContact CD1-CD1 3.74Å; F32-L36 HydrophobicContact CD1-CG 4.34Å; F32-L36 HydrophobicContact CE1-CD1 3.72Å; F32-L36 HydrophobicContact CE1-CG 4.26Å; F32-L36 WeakPolarHBondContact O-CG 3.33Å; F32-L36 PolarHBondContact O-N 2.92Å; L33-L36 PolarHBondContact O-N 2.92Å; L36-T39 WeakPolarHBondContact CA-OG1 3.46Å; L36-T39 PolarHBondContact O-OG1 3.41Å; L36-S40 VanDerWaalsContact O-CB 3.27Å; L36-S40 WeakPolarHBondContact O-CB 3.42Å; L36-S40 PolarHBondContact O-N 3.03Å
37	F	82.3	Confident	72.6	Confident	141 Å²	141	108.1 Å²	108.1	62%	0.618	54%	0.543	S	S	*	.	H	α-helix	trans	-67.4	-44.7	175.3	-176.3	-101	0	0	0	111.3	L33 L34 L35 T39 S40 V41	L33-F37 WeakPolarHBondContact O-CB 3.36Å; L33-F37 PolarHBondContact O-N 3Å; L34-F37 PolarHBondContact O-N 3.24Å; L35-F37 VanDerWaalsContact C-N 3.32Å; L35-F37 PolarHBondContact O-N 3.41Å; F37-T39 PolarHBondContact O-N 3.2Å; F37-S40 PolarHBondContact O-N 3.46Å; F37-V41 HydrophobicContact CD1-CG2 4.23Å; F37-V41 HydrophobicContact CE1-CG2 3.87Å; F37-V41 HydrophobicContact CE2-CG2 4.32Å; F37-V41 HydrophobicContact CZ-CG2 3.92Å; F37-V41 VanDerWaalsContact O-CG2 3.3Å; F37-V41 WeakPolarHBondContact O-CG2 3.44Å; F37-V41 PolarHBondContact O-N 3.45Å
38	I	81.6	Confident	72.9	Confident	85 Å²	85	105.4 Å²	105.4	44%	0.436	53%	0.533	S	S	.	.	H	α-helix	trans	-63.2	-42.3	177.9	-68.6	165	0	0	0	111.1	L34 L35 V41 L42	L34-I38 HydrophobicContact CD2-CD1 3.98Å; L34-I38 HydrophobicContact CG-CD1 4.23Å; L34-I38 WeakPolarHBondContact O-CD1 3.31Å; L34-I38 VanDerWaalsContact O-CG1 3.24Å; L34-I38 WeakPolarHBondContact O-CG1 3.44Å; L34-I38 PolarHBondContact O-N 2.97Å; L35-I38 PolarHBondContact O-N 3.3Å; I38-V41 PolarHBondContact O-N 3Å; I38-L42 HydrophobicContact CG2-CD1 3.94Å; I38-L42 WeakPolarHBondContact O-CB 3.31Å; I38-L42 WeakPolarHBondContact O-CG 3.23Å; I38-L42 PolarHBondContact O-N 3.01Å
39	T	76.4	Confident	73.2	Confident	62 Å²	62	110 Å²	110	38%	0.38	55%	0.545	S	S	.	.	H	α-helix	trans	-68	-37.4	177.3	54.7	0	0	0	0	112.2	L35 L36 F37 L42 L43	L35-T39 WeakPolarHBondContact O-CG2 3.44Å; L35-T39 PolarHBondContact O-N 3.27Å; L35-T39 PolarHBondContact O-OG1 3.35Å; L35-T39 VanDerWaalsContact O-OG1 3.13Å; L36-T39 WeakPolarHBondContact CA-OG1 3.46Å; L36-T39 PolarHBondContact O-OG1 3.41Å; F37-T39 PolarHBondContact O-N 3.2Å; T39-L42 PolarHBondContact O-N 2.94Å; T39-L43 WeakPolarHBondContact O-CB 3.07Å; T39-L43 WeakPolarHBondContact O-CG 3.31Å; T39-L43 PolarHBondContact O-N 3.42Å
40	S	75.8	Confident	73.3	Confident	56 Å²	56	109.5 Å²	109.5	39%	0.392	55%	0.55	S	S	.	*	H	α-helix	trans	-63.1	-43	173.3	171.4	0	0	0	0	112.3	L36 F37 L43 L44	L36-S40 VanDerWaalsContact O-CB 3.27Å; L36-S40 WeakPolarHBondContact O-CB 3.42Å; L36-S40 PolarHBondContact O-N 3.03Å; F37-S40 PolarHBondContact O-N 3.46Å; S40-L43 PolarHBondContact O-N 3.28Å; S40-L44 PolarHBondContact O-N 3.06Å
41	V	81.6	Confident	72.6	Confident	73 Å²	73	108.8 Å²	108.8	44%	0.442	55%	0.547	S	S	.	.	H	α-helix	trans	-66.4	-39.9	176.9	171.5	0	0	0	0	111.2	F37 I38 L44 A45	F37-V41 HydrophobicContact CD1-CG2 4.23Å; F37-V41 HydrophobicContact CE1-CG2 3.87Å; F37-V41 HydrophobicContact CE2-CG2 4.32Å; F37-V41 HydrophobicContact CZ-CG2 3.92Å; F37-V41 VanDerWaalsContact O-CG2 3.3Å; F37-V41 WeakPolarHBondContact O-CG2 3.44Å; F37-V41 PolarHBondContact O-N 3.45Å; I38-V41 PolarHBondContact O-N 3Å; V41-L44 PolarHBondContact O-N 3.2Å; V41-A45 VanDerWaalsContact O-CB 3.31Å; V41-A45 WeakPolarHBondContact O-CB 3.28Å; V41-A45 PolarHBondContact O-N 3.17Å
42	L	78.3	Confident	71.5	Confident	105 Å²	105	113.9 Å²	113.9	55%	0.55	56%	0.558	S	S	.	*	H	α-helix	trans	-63.6	-41.7	174.7	-83.2	160.8	0	0	0	112.2	I38 T39 A45 T46	I38-L42 HydrophobicContact CG2-CD1 3.94Å; I38-L42 WeakPolarHBondContact O-CB 3.31Å; I38-L42 WeakPolarHBondContact O-CG 3.23Å; I38-L42 PolarHBondContact O-N 3.01Å; T39-L42 PolarHBondContact O-N 2.94Å; L42-A45 PolarHBondContact O-N 3.09Å; L42-T46 WeakPolarHBondContact O-CG2 3.31Å; L42-T46 PolarHBondContact O-N 3.46Å; L42-T46 PolarHBondContact O-OG1 2.88Å
43	L	75.7	Confident	70.2	Confident	119 Å²	119	108.7 Å²	108.7	62%	0.623	54%	0.544	S	S	*	.	H	α-helix	trans	-67.3	-37.2	176.1	-81.4	161.4	0	0	0	112.5	T39 S40 T46 Y47	T39-L43 WeakPolarHBondContact O-CB 3.07Å; T39-L43 WeakPolarHBondContact O-CG 3.31Å; T39-L43 PolarHBondContact O-N 3.42Å; S40-L43 PolarHBondContact O-N 3.28Å; L43-T46 WeakPolarHBondContact CA-OG1 3.47Å; L43-T46 PolarHBondContact O-OG1 3.32Å; L43-Y47 WeakPolarHBondContact O-CB 3.45Å; L43-Y47 PolarHBondContact O-N 3.45Å
44	L	74.7	Confident	68.4	Low	100 Å²	100	109.2 Å²	109.2	52%	0.524	55%	0.554	S	S	.	*	H	α-helix	trans	-68.5	-37.8	173.1	-107.7	119.6	0	0	0	111.8	S40 V41 Y47 Q48	S40-L44 PolarHBondContact O-N 3.06Å; V41-L44 PolarHBondContact O-N 3.2Å; L44-Y47 PolarHBondContact O-N 2.93Å; L44-Q48 WeakPolarHBondContact O-CB 3.28Å; L44-Q48 PolarHBondContact O-N 3.37Å
45	A	72.4	Confident	66.6	Low	49 Å²	49	113.2 Å²	113.2	41%	0.405	57%	0.57	S	S	.	*	H	α-helix	trans	-67.1	-38.8	176.8	0	0	0	0	0	112.1	V41 L42 R49	V41-A45 VanDerWaalsContact O-CB 3.31Å; V41-A45 WeakPolarHBondContact O-CB 3.28Å; V41-A45 PolarHBondContact O-N 3.17Å; L42-A45 PolarHBondContact O-N 3.09Å; A45-R49 WeakPolarHBondContact O-CB 3.33Å; A45-R49 PolarHBondContact O-N 2.96Å
46	T	71.6	Confident	65.1	Low	78 Å²	78	117.5 Å²	117.5	48%	0.479	58%	0.579	S	S	.	*	H	α-helix	trans	-69.6	-40.1	173.3	54.2	0	0	0	0	111.6	L42 L43 R49 Q50	L42-T46 WeakPolarHBondContact O-CG2 3.31Å; L42-T46 PolarHBondContact O-N 3.46Å; L42-T46 PolarHBondContact O-OG1 2.88Å; L43-T46 WeakPolarHBondContact CA-OG1 3.47Å; L43-T46 PolarHBondContact O-OG1 3.32Å; T46-R49 WeakPolarHBondContact O-CB 3.38Å; T46-R49 PolarHBondContact O-N 3.17Å; T46-Q50 WeakPolarHBondContact O-CB 3.4Å; T46-Q50 PolarHBondContact O-N 2.04Å
47	Y	70.7	Confident	63.5	Low	151 Å²	151	123.7 Å²	123.7	59%	0.592	60%	0.596	S	S	*	*	H	α-helix	trans	-65.5	-42.2	176.6	-171.9	-108	0	0	0	112.4	L43 L44 Q50 L51	L43-Y47 WeakPolarHBondContact O-CB 3.45Å; L43-Y47 PolarHBondContact O-N 3.45Å; L44-Y47 PolarHBondContact O-N 2.93Å; Y47-Q50 PolarHBondContact O-N 3.28Å; Y47-Q50 VanDerWaalsContact O-N 3.16Å; Y47-L51 HydrophobicContact CD1-CD1 3.67Å; Y47-L51 HydrophobicContact CD2-CD1 4.4Å; Y47-L51 HydrophobicContact CE1-CD1 3.19Å; Y47-L51 HydrophobicContact CE2-CD1 4.01Å; Y47-L51 HydrophobicContact CG-CD1 4.25Å; Y47-L51 PolarHBondContact O-N 2.87Å
48	Q	62	Low	61.5	Low	116 Å²	116	122.5 Å²	122.5	54%	0.542	60%	0.603	S	S	.	*	H	α-helix	trans	-65.1	-38	171.9	-88.4	-176.9	-51.5	0	0	112.2	L44 Q50 L51 W52	L44-Q48 WeakPolarHBondContact O-CB 3.28Å; L44-Q48 PolarHBondContact O-N 3.37Å; Q48-Q50 PolarHBondContact O-N 2.76Å; Q48-L51 PolarHBondContact O-N 2.93Å; Q48-W52 WeakPolarHBondContact O-CB 3.31Å; Q48-W52 PolarHBondContact O-N 2.96Å
49	R	61.4	Low	59.6	Low	209 Å²	209	119.7 Å²	119.7	79%	0.789	59%	0.594	S	S	*	*	H	α-helix	trans	-62.5	-26.6	172	-112.4	-177.7	177.7	-176.2	-0.5	113.3	A45 T46 G53	A45-R49 WeakPolarHBondContact O-CB 3.33Å; A45-R49 PolarHBondContact O-N 2.96Å; T46-R49 WeakPolarHBondContact O-CB 3.38Å; T46-R49 PolarHBondContact O-N 3.17Å; R49-G53 VanDerWaalsContact O-CA 3.28Å; R49-G53 WeakPolarHBondContact O-CA 2.94Å; R49-G53 PolarHBondContact O-N 3.47Å
50	Q	62	Low	58.4	Low	164 Å²	164	119.7 Å²	119.7	77%	0.766	60%	0.601	S	S	*	*	H	α-helix	trans	-87.5	-30	-179.3	-153.3	163.9	-1.9	0	0	112	T46 Y47 Q48	T46-Q50 WeakPolarHBondContact O-CB 3.4Å; T46-Q50 PolarHBondContact O-N 2.04Å; Y47-Q50 PolarHBondContact O-N 3.28Å; Y47-Q50 VanDerWaalsContact O-N 3.16Å; Q48-Q50 PolarHBondContact O-N 2.76Å
51	L	51.5	Low	57	Low	111 Å²	111	126.3 Å²	126.3	58%	0.581	62%	0.617	S	S	*	*	H	α-helix	trans	-81.2	-29.1	171.3	-96.2	133.7	0	0	0	113.8	Y47 Q48	Y47-L51 HydrophobicContact CD1-CD1 3.67Å; Y47-L51 HydrophobicContact CD2-CD1 4.4Å; Y47-L51 HydrophobicContact CE1-CD1 3.19Å; Y47-L51 HydrophobicContact CE2-CD1 4.01Å; Y47-L51 HydrophobicContact CG-CD1 4.25Å; Y47-L51 PolarHBondContact O-N 2.87Å; Q48-L51 PolarHBondContact O-N 2.93Å
52	W	45.8	Very low	55.1	Low	222 Å²	222	126.9 Å²	126.9	84%	0.841	62%	0.621	S	S	*	*	S	Bend	trans	-113.4	20.8	177.6	-69.9	47.1	0	0	0	111.8	Q48	Q48-W52 WeakPolarHBondContact O-CB 3.31Å; Q48-W52 PolarHBondContact O-N 2.96Å
53	G	43.4	Very low	53.8	Low	31 Å²	31	126.9 Å²	126.9	32%	0.32	62%	0.621	S	S	.	*	S	Bend	trans	-61	144.4	160.7	0	0	0	0	0	107.6	R49 Q55	R49-G53 VanDerWaalsContact O-CA 3.28Å; R49-G53 WeakPolarHBondContact O-CA 2.94Å; R49-G53 PolarHBondContact O-N 3.47Å; G53-Q55 PolarHBondContact O-N 3.35Å
54	P	37.8	Very low	52.7	Low	124 Å²	124	125 Å²	125	81%	0.805	61%	0.608	S	S	*	*			trans	-55.1	114.6	-174.9	17.1	-23	0	0	0	108.3	R56	P54-R56 VanDerWaalsContact C-N 3.29Å; P54-R56 PolarHBondContact O-N 2.89Å
55	Q	40.5	Very low	51.3	Low	184 Å²	184	127.7 Å²	127.7	86%	0.86	61%	0.612	S	S	*	*			trans	-52.6	106.5	159.6	-94.9	-168.5	-31.8	0	0	104.9	G53 R57	G53-Q55 PolarHBondContact O-N 3.35Å; Q55-R57 VanDerWaalsContact C-N 3.32Å; Q55-R57 PolarHBondContact O-N 3.49Å
56	R	44.5	Very low	50.3	Low	195 Å²	195	129.9 Å²	129.9	74%	0.736	62%	0.617	S	S	*	*			trans	-58.1	102.2	175.9	-81	-178.8	174.5	169.1	-2.9	106.5	P54 E237	P54-R56 VanDerWaalsContact C-N 3.29Å; P54-R56 PolarHBondContact O-N 2.89Å; R56-E237 IonicContact CZ-OE1 3.31Å; R56-E237 IonicContact NH1-OE1 3.37Å; R56-E237 PolarHBondContact NH1-OE1 2.86Å; R56-E237 IonicContact NH1-OE2 3.12Å; R56-E237 PolarHBondContact NH1-OE2 2.98Å
57	R	43.9	Very low	49.6	Very low	222 Å²	222	128.6 Å²	128.6	84%	0.838	61%	0.611	S	S	*	*			trans	-62.2	152.8	171.8	-69.8	-178.9	177.5	-176.5	-1	108.2	Q55 G59	Q55-R57 VanDerWaalsContact C-N 3.32Å; Q55-R57 PolarHBondContact O-N 3.49Å; R57-G59 PolarHBondContact O-N 3.48Å
58	P	40.2	Very low	49	Very low	117 Å²	117	122.7 Å²	122.7	76%	0.76	59%	0.59	S	S	*	*	S	Bend	trans	-71.5	57.9	172.7	31.8	-34.9	0	0	0	110.9
59	G	41.1	Very low	48.7	Very low	25 Å²	25	123.3 Å²	123.3	26%	0.258	59%	0.592	S	S	.	*	H	α-helix	trans	-87.1	-22.1	-169.2	0	0	0	0	0	114.7	R57 R61 V62 N63	R57-G59 PolarHBondContact O-N 3.48Å; G59-R61 PolarHBondContact O-N 2.98Å; G59-V62 PolarHBondContact O-N 3.4Å; G59-N63 WeakPolarHBondContact O-CB 3.32Å; G59-N63 VanDerWaalsContact O-CG 3.25Å; G59-N63 PolarHBondContact O-N 3.26Å
60	A	50.9	Low	48.7	Very low	63 Å²	63	118.7 Å²	118.7	52%	0.521	58%	0.58	S	S	.	*	H	α-helix	trans	-64.2	-41.9	-176	0	0	0	0	0	112.4	K64	A60-K64 PolarHBondContact O-N 3.01Å; A60-K64 VanDerWaalsContact O-N 3.09Å
61	R	46.3	Very low	48.6	Very low	195 Å²	195	111.2 Å²	111.2	74%	0.736	55%	0.545	S	S	*	.	H	α-helix	trans	-67.4	-44.7	177.7	-133.9	179.1	-165.9	175	5.7	111.6	G59 K64 Y65	G59-R61 PolarHBondContact O-N 2.98Å; R61-K64 PolarHBondContact O-N 2.88Å; R61-Y65 HydrophobicContact CG-CE2 4.21Å; R61-Y65 WeakPolarHBondContact O-CD2 3.24Å; R61-Y65 PolarHBondContact O-N 2.95Å; R61-Y65 VanDerWaalsContact O-N 3.14Å
62	V	42.4	Very low	49.5	Very low	84 Å²	84	109.8 Å²	109.8	51%	0.509	54%	0.537	S	S	.	.	H	α-helix	trans	-64.2	-42	179	180	0	0	0	0	111.2	G59 K64 Y65 L66	G59-V62 PolarHBondContact O-N 3.4Å; V62-K64 VanDerWaalsContact C-N 3.34Å; V62-K64 PolarHBondContact O-N 2.98Å; V62-Y65 PolarHBondContact O-N 3.07Å; V62-L66 HydrophobicContact CG1-CD1 3.9Å; V62-L66 HydrophobicContact CG1-CG 4.44Å; V62-L66 WeakPolarHBondContact O-CG 3.18Å; V62-L66 PolarHBondContact O-N 2.9Å
63	N	50.9	Low	51.4	Low	105 Å²	105	105.3 Å²	105.3	56%	0.561	53%	0.525	S	S	*	.	H	α-helix	trans	-64.8	-34.8	175.7	-74	-9.7	0	0	0	112.7	G59 L66 S67	G59-N63 WeakPolarHBondContact O-CB 3.32Å; G59-N63 VanDerWaalsContact O-CG 3.25Å; G59-N63 PolarHBondContact O-N 3.26Å; N63-L66 PolarHBondContact O-N 3.34Å; N63-S67 WeakPolarHBondContact O-CB 3.4Å; N63-S67 PolarHBondContact O-N 3.12Å; N63-S67 PolarHBondContact O-OG 2.99Å
64	K	53.4	Low	53.6	Low	79 Å²	79	105.8 Å²	105.8	34%	0.343	53%	0.527	S	S	.	.	H	α-helix	trans	-68.4	-32.4	174.5	-172.6	169.9	179.1	169	0	112.9	A60 R61 V62 S67 L68 L229 Y512	A60-K64 PolarHBondContact O-N 3.01Å; A60-K64 VanDerWaalsContact O-N 3.09Å; R61-K64 PolarHBondContact O-N 2.88Å; V62-K64 VanDerWaalsContact C-N 3.34Å; V62-K64 PolarHBondContact O-N 2.98Å; K64-S67 PolarHBondContact O-OG 3.39Å; K64-L68 PolarHBondContact O-N 3.28Å; K64-L229 PolarHBondContact NZ-O 3Å; K64-L229 VanDerWaalsContact NZ-O 3.15Å; K64-Y512 WeakPolarHBondContact CE-OH 3.41Å; K64-Y512 PolarHBondContact NZ-OH 3.07Å
65	Y	44.8	Very low	56.2	Low	157 Å²	157	100.4 Å²	100.4	62%	0.616	49%	0.491	S	S	*	.	H	α-helix	trans	-74	-41.4	173	-79.1	-74.6	0	0	0	111.8	R61 V62 L68 E69	R61-Y65 HydrophobicContact CG-CE2 4.21Å; R61-Y65 WeakPolarHBondContact O-CD2 3.24Å; R61-Y65 PolarHBondContact O-N 2.95Å; R61-Y65 VanDerWaalsContact O-N 3.14Å; V62-Y65 PolarHBondContact O-N 3.07Å; Y65-L68 VanDerWaalsContact O-CB 3.23Å; Y65-L68 WeakPolarHBondContact O-CB 2.97Å; Y65-L68 PolarHBondContact O-N 3.19Å; Y65-E69 PolarHBondContact O-N 2.99Å; Y65-E69 VanDerWaalsContact O-N 3.08Å
66	L	50.5	Low	58.8	Low	95 Å²	95	95.9 Å²	95.9	50%	0.497	47%	0.473	S	S	.	.	H	α-helix	trans	-64.9	-39.8	176.3	-72.1	166.4	0	0	0	112.6	V62 N63 L68 E69 E70	V62-L66 HydrophobicContact CG1-CD1 3.9Å; V62-L66 HydrophobicContact CG1-CG 4.44Å; V62-L66 WeakPolarHBondContact O-CG 3.18Å; V62-L66 PolarHBondContact O-N 2.9Å; N63-L66 PolarHBondContact O-N 3.34Å; L66-L68 VanDerWaalsContact C-N 3.26Å; L66-L68 PolarHBondContact O-N 3.13Å; L66-E69 PolarHBondContact O-N 3.39Å; L66-E70 PolarHBondContact O-N 3.41Å
67	S	57.8	Low	61.1	Low	51 Å²	51	90.8 Å²	90.8	36%	0.357	46%	0.46	S	S	.	.	H	α-helix	trans	-70.8	-22.3	174.1	68	0	0	0	0	113.2	N63 K64 S71	N63-S67 WeakPolarHBondContact O-CB 3.4Å; N63-S67 PolarHBondContact O-N 3.12Å; N63-S67 PolarHBondContact O-OG 2.99Å; K64-S67 PolarHBondContact O-OG 3.39Å; S67-S71 WeakPolarHBondContact O-CB 3.31Å; S67-S71 PolarHBondContact O-N 2.93Å; S67-S71 PolarHBondContact O-OG 3.26Å
68	L	58.5	Low	63.4	Low	28 Å²	28	87.5 Å²	87.5	15%	0.147	46%	0.458	C	S	.	.	H	α-helix	trans	-68.9	-47	170.4	-129.8	84	0	0	0	110.8	K64 Y65 L66 S71 M72 Y512	K64-L68 PolarHBondContact O-N 3.28Å; Y65-L68 VanDerWaalsContact O-CB 3.23Å; Y65-L68 WeakPolarHBondContact O-CB 2.97Å; Y65-L68 PolarHBondContact O-N 3.19Å; L66-L68 VanDerWaalsContact C-N 3.26Å; L66-L68 PolarHBondContact O-N 3.13Å; L68-S71 CarbonylContact O-C 3.58Å; L68-S71 WeakPolarHBondContact O-CA 3.41Å; L68-S71 WeakPolarHBondContact O-CB 3.22Å; L68-S71 PolarHBondContact O-N 3.35Å; L68-S71 PolarHBondContact O-OG 3.28Å; L68-M72 WeakPolarHBondContact O-CG 3.48Å; L68-M72 PolarHBondContact O-N 3.49Å; L68-Y512 HydrophobicContact CD1-CD1 4.36Å; L68-Y512 HydrophobicContact CD1-CD2 4.43Å; L68-Y512 HydrophobicContact CD1-CG 3.93Å; L68-Y512 HydrophobicContact CD2-CD1 4.36Å; L68-Y512 HydrophobicContact CD2-CG 4.46Å
69	E	55.6	Low	65.9	Low	128 Å²	128	85 Å²	85	60%	0.598	44%	0.438	S	S	*	.	H	α-helix	trans	-62.4	-43.7	179.6	-163.2	164	-168.7	0	0	111.3	Y65 L66 S71 M72	Y65-E69 PolarHBondContact O-N 2.99Å; Y65-E69 VanDerWaalsContact O-N 3.08Å; L66-E69 PolarHBondContact O-N 3.39Å; E69-S71 PolarHBondContact O-N 3.04Å; E69-M72 WeakPolarHBondContact O-CB 3.27Å; E69-M72 PolarHBondContact O-N 3.49Å
70	E	59.9	Low	68.3	Low	112 Å²	112	88.5 Å²	88.5	52%	0.523	46%	0.459	S	S	.	.	H	α-helix	trans	-63.9	-27.5	172.8	-162.5	-173.7	-143.6	0	0	112.6	L66 M72 R116	L66-E70 PolarHBondContact O-N 3.41Å; E70-M72 VanDerWaalsContact C-N 3.28Å; E70-M72 PolarHBondContact O-N 2.92Å; E70-R116 IonicContact OE2-NH1 3.31Å; E70-R116 IonicContact OE2-NH2 3.35Å
71	S	61.9	Low	70.3	Confident	7 Å²	7	87.5 Å²	87.5	5%	0.049	45%	0.45	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-3.4	174.7	80	0	0	0	0	114.3	S67 L68 E69 R119 K514	S67-S71 WeakPolarHBondContact O-CB 3.31Å; S67-S71 PolarHBondContact O-N 2.93Å; S67-S71 PolarHBondContact O-OG 3.26Å; L68-S71 CarbonylContact O-C 3.58Å; L68-S71 WeakPolarHBondContact O-CA 3.41Å; L68-S71 WeakPolarHBondContact O-CB 3.22Å; L68-S71 PolarHBondContact O-N 3.35Å; L68-S71 PolarHBondContact O-OG 3.28Å; E69-S71 PolarHBondContact O-N 3.04Å; S71-R119 WeakPolarHBondContact O-CD 3.33Å; S71-R119 PolarHBondContact O-NE 3.07Å; S71-K514 WeakPolarHBondContact OG-CE 3.34Å
72	M	70.1	Confident	72.6	Confident	82 Å²	82	78.7 Å²	78.7	40%	0.404	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-15	176.3	-68.9	177.2	77.4	0	0	112.9	L68 E69 E70 R119 S123	L68-M72 WeakPolarHBondContact O-CG 3.48Å; L68-M72 PolarHBondContact O-N 3.49Å; E69-M72 WeakPolarHBondContact O-CB 3.27Å; E69-M72 PolarHBondContact O-N 3.49Å; E70-M72 VanDerWaalsContact C-N 3.28Å; E70-M72 PolarHBondContact O-N 2.92Å; M72-R119 VanDerWaalsContact O-CD 3.26Å; M72-R119 WeakPolarHBondContact O-CD 3.32Å; M72-S123 WeakPolarHBondContact O-CB 3.17Å
73	E	84.6	Confident	75.2	Confident	127 Å²	127	77.1 Å²	77.1	59%	0.593	41%	0.406	S	S	*	.	S	Bend	trans	-74	158.3	177.1	-62.7	-171	165.4	0	0	112.7	R119	E73-R119 WeakPolarHBondContact O-CD 3.48Å
74	A	90.5	Very high	77.4	Confident	42 Å²	42	72.3 Å²	72.3	35%	0.347	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-57.6	140.5	172.7	0	0	0	0	0	110.8	D76 D120 S123	A74-D76 PolarHBondContact O-N 3.4Å; A74-D120 WeakPolarHBondContact CA-O 3.45Å; A74-D120 WeakPolarHBondContact CB-O 3.11Å; A74-S123 PolarHBondContact N-OG 3.43Å
75	T	92.8	Very high	79.5	Confident	10 Å²	10	68.5 Å²	68.5	6%	0.061	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-69.1	126.5	177.9	-56.5	0	0	0	0	110.2	I77 L82 Y84 Y101 M118 R119	T75-I77 VanDerWaalsContact C-N 3.32Å; T75-I77 PolarHBondContact O-N 3.29Å; T75-L82 HydrophobicContact CG2-CD1 3.97Å; T75-Y84 HydrophobicContact CG2-CE1 4.47Å; T75-Y101 HydrophobicContact CG2-CD1 3.93Å; T75-Y101 HydrophobicContact CG2-CD2 3.82Å; T75-Y101 HydrophobicContact CG2-CE1 4.03Å; T75-Y101 HydrophobicContact CG2-CE2 3.93Å; T75-Y101 HydrophobicContact CG2-CG 3.81Å; T75-Y101 WeakPolarHBondContact OG1-CE1 3.45Å; T75-M118 HydrophobicContact CG2-CG 4.25Å; T75-R119 PolarHBondContact N-O 2.64Å; T75-R119 VanDerWaalsContact N-O 3.1Å; T75-R119 PolarHBondContact OG1-N 3.26Å; T75-R119 PolarHBondContact OG1-O 3.09Å
76	D	93.2	Very high	82.1	Confident	90 Å²	90	61 Å²	61	48%	0.481	34%	0.335	S	S	.	.			trans	-71.3	86	176.4	-179.1	11.5	0	0	0	111.4	A74 L78 N79 L82	A74-D76 PolarHBondContact O-N 3.4Å; D76-L78 PolarHBondContact O-N 2.91Å; D76-L78 VanDerWaalsContact O-N 3.14Å; D76-L78 WeakPolarHBondContact OD1-CB 3.5Å; D76-L78 PolarHBondContact OD1-N 3.47Å; D76-N79 HydrophobicContact CB-CB 4.35Å; D76-N79 WeakPolarHBondContact O-CB 3.42Å; D76-N79 PolarHBondContact O-N 3.02Å; D76-N79 VanDerWaalsContact O-N 3.1Å; D76-N79 PolarHBondContact OD1-N 3.11Å; D76-L82 WeakPolarHBondContact O-CD1 3.38Å
77	I	93.2	Very high	84.3	Confident	88 Å²	88	56.6 Å²	56.6	45%	0.451	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-13.1	178.5	58.6	166.3	0	0	0	113.8	T75 M118 P160	T75-I77 VanDerWaalsContact C-N 3.32Å; T75-I77 PolarHBondContact O-N 3.29Å; I77-M118 HydrophobicContact CG2-CE 3.56Å; I77-P160 HydrophobicContact CB-CG 4Å; I77-P160 HydrophobicContact CG2-CG 4.4Å
78	L	92.1	Very high	86.3	Confident	152 Å²	152	54.1 Å²	54.1	80%	0.796	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-18.8	176.2	-57.3	178.3	0	0	0	111.9	D76 S80	D76-L78 PolarHBondContact O-N 2.91Å; D76-L78 VanDerWaalsContact O-N 3.14Å; D76-L78 WeakPolarHBondContact OD1-CB 3.5Å; D76-L78 PolarHBondContact OD1-N 3.47Å; L78-S80 PolarHBondContact O-N 2.79Å
79	N	93.1	Very high	88	Confident	64 Å²	64	53.2 Å²	53.2	34%	0.342	29%	0.29	S	S	.	.			trans	-71.8	101.4	175.2	-175.5	-9.6	0	0	0	110.9	D76 A81 L82	D76-N79 HydrophobicContact CB-CB 4.35Å; D76-N79 WeakPolarHBondContact O-CB 3.42Å; D76-N79 PolarHBondContact O-N 3.02Å; D76-N79 VanDerWaalsContact O-N 3.1Å; D76-N79 PolarHBondContact OD1-N 3.11Å; N79-A81 PolarHBondContact O-N 2.83Å; N79-A81 VanDerWaalsContact O-N 3.14Å; N79-A81 VanDerWaalsContact OD1-CB 3.23Å; N79-A81 WeakPolarHBondContact OD1-CB 3.48Å; N79-A81 PolarHBondContact OD1-N 3.1Å; N79-L82 HydrophobicContact CB-CD1 4.13Å; N79-L82 HydrophobicContact CB-CG 3.99Å; N79-L82 PolarHBondContact O-N 2.81Å; N79-L82 VanDerWaalsContact O-N 3.17Å
80	S	92.7	Very high	90	Very high	100 Å²	100	47.2 Å²	47.2	70%	0.699	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-15.8	-179.7	60.5	0	0	0	0	114.5	L78 L82 K163	L78-S80 PolarHBondContact O-N 2.79Å; S80-L82 VanDerWaalsContact C-N 3.31Å; S80-K163 WeakPolarHBondContact O-CE 3.29Å; S80-K163 PolarHBondContact O-NZ 3.4Å
81	A	92.3	Very high	91.4	Very high	41 Å²	41	42.1 Å²	42.1	34%	0.339	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-18.1	178	0	0	0	0	0	112.7	N79 P104	N79-A81 PolarHBondContact O-N 2.83Å; N79-A81 VanDerWaalsContact O-N 3.14Å; N79-A81 VanDerWaalsContact OD1-CB 3.23Å; N79-A81 WeakPolarHBondContact OD1-CB 3.48Å; N79-A81 PolarHBondContact OD1-N 3.1Å; A81-P104 HydrophobicContact CB-CG 3.83Å; A81-P104 WeakPolarHBondContact O-CD 3.35Å
82	L	94.9	Very high	92.6	Very high	11 Å²	11	43.6 Å²	43.6	6%	0.058	25%	0.249	C	C	.	.			trans	-69.6	142.1	176.8	-62.3	-176.7	0	0	0	111.2	T75 D76 N79 S80 Y84 Y101 P103 K163	T75-L82 HydrophobicContact CG2-CD1 3.97Å; D76-L82 WeakPolarHBondContact O-CD1 3.38Å; N79-L82 HydrophobicContact CB-CD1 4.13Å; N79-L82 HydrophobicContact CB-CG 3.99Å; N79-L82 PolarHBondContact O-N 2.81Å; N79-L82 VanDerWaalsContact O-N 3.17Å; S80-L82 VanDerWaalsContact C-N 3.31Å; L82-Y84 HydrophobicContact CB-CE2 4.15Å; L82-Y101 HydrophobicContact CD1-CD2 3.96Å; L82-Y101 HydrophobicContact CD1-CE2 4.3Å; L82-Y101 HydrophobicContact CD2-CD2 4.09Å; L82-Y101 HydrophobicContact CD2-CE2 4.42Å; L82-P103 HydrophobicContact CD2-CB 4.18Å; L82-K163 WeakPolarHBondContact O-CE 3.47Å; L82-K163 PolarHBondContact O-NZ 2.62Å
83	N	95.8	Very high	93.3	Very high	50 Å²	50	42.2 Å²	42.2	27%	0.267	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	155.3	171	-60.6	-68.6	0	0	0	109.1	Y101 W102	N83-Y101 CarbonylContact O-C 3.1Å; N83-Y101 WeakPolarHBondContact O-CA 3.13Å; N83-Y101 WeakPolarHBondContact O-CB 3.13Å; N83-W102 HydrophobicContact CB-CD2 4.31Å; N83-W102 HydrophobicContact CB-CG 4.43Å; N83-W102 HydrophobicContact CB-CZ2 4.05Å; N83-W102 PolarHBondContact N-O 2.68Å; N83-W102 PolarHBondContact O-N 2.86Å
84	Y	97.4	Very high	93.6	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.016	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	156.1	-174.4	-57.2	-95.1	0	0	0	109.9	T75 L82 Y100 W102 M118 V159 P160 K163 P168	T75-Y84 HydrophobicContact CG2-CE1 4.47Å; L82-Y84 HydrophobicContact CB-CE2 4.15Å; Y84-Y100 CarbonylContact C-O 3.55Å; Y84-Y100 VanDerWaalsContact CA-O 3.27Å; Y84-Y100 WeakPolarHBondContact CA-O 3.47Å; Y84-W102 WeakPolarHBondContact O-CH2 3.27Å; Y84-M118 HydrophobicContact CD1-SD 4.12Å; Y84-M118 HydrophobicContact CE1-CE 4.14Å; Y84-M118 HydrophobicContact CE1-SD 4.09Å; Y84-V159 HydrophobicContact CD1-CG1 4.43Å; Y84-V159 HydrophobicContact CD1-CG2 4.44Å; Y84-V159 HydrophobicContact CD2-CG1 4.14Å; Y84-V159 HydrophobicContact CG-CG1 3.95Å; Y84-P160 HydrophobicContact CE2-CG 4.23Å; Y84-K163 HydrophobicContact CD2-CB 3.93Å; Y84-K163 HydrophobicContact CD2-CD 4.44Å; Y84-K163 HydrophobicContact CD2-CG 4.06Å; Y84-K163 HydrophobicContact CE2-CB 4.18Å; Y84-K163 HydrophobicContact CE2-CD 4.44Å; Y84-K163 HydrophobicContact CE2-CG 3.89Å; Y84-P168 WeakPolarHBondContact O-CD 3.49Å
85	G	97.8	Very high	93.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	142.5	172.7	0	0	0	0	0	110.5	Y100	G85-Y100 PolarHBondContact N-O 3.27Å; G85-Y100 PolarHBondContact O-N 2.7Å
86	I	98.5	Very high	93.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	131.1	-176.6	-56.5	164.2	0	0	0	108.7	V97 F98 V99 A155 V159 T167 P168 L169 Y170 F202	I86-V97 HydrophobicContact CG2-CG2 3.48Å; I86-V97 VanDerWaalsContact CG2-CG2 3.48Å; I86-F98 WeakPolarHBondContact CA-O 3.46Å; I86-V99 HydrophobicContact CG1-CG1 4.48Å; I86-V99 HydrophobicContact CG1-CG2 4.46Å; I86-A155 HydrophobicContact CD1-CB 3.85Å; I86-A155 HydrophobicContact CG1-CB 4.3Å; I86-A155 HydrophobicContact CG2-CB 4.16Å; I86-V159 HydrophobicContact CD1-CG2 4.34Å; I86-T167 HydrophobicContact CD1-CG2 3.76Å; I86-T167 HydrophobicContact CG1-CG2 3.83Å; I86-P168 PolarHBondContact N-O 3.07Å; I86-L169 HydrophobicContact CB-CD1 3.85Å; I86-L169 HydrophobicContact CG2-CD1 3.52Å; I86-L169 WeakPolarHBondContact O-CA 3.31Å; I86-Y170 PolarHBondContact O-N 3.33Å; I86-F202 HydrophobicContact CD1-CD1 3.81Å; I86-F202 HydrophobicContact CD1-CD2 4.01Å; I86-F202 HydrophobicContact CD1-CE1 3.41Å; I86-F202 VanDerWaalsContact CD1-CE1 3.41Å; I86-F202 HydrophobicContact CD1-CE2 3.62Å; I86-F202 HydrophobicContact CD1-CG 4.09Å; I86-F202 HydrophobicContact CD1-CZ 3.29Å
87	V	98.3	Very high	94.1	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	126.8	172.2	-173.4	0	0	0	0	109.5	F98 Y100 Y170 L172 T519 I523	V87-F98 PolarHBondContact N-O 3.26Å; V87-F98 PolarHBondContact O-N 2.83Å; V87-Y100 HydrophobicContact CB-CE2 4.38Å; V87-Y100 HydrophobicContact CG2-CD2 4.35Å; V87-Y100 HydrophobicContact CG2-CE2 4.19Å; V87-Y170 CarbonylContact C-O 3.57Å; V87-Y170 WeakPolarHBondContact CA-O 3.41Å; V87-Y170 HydrophobicContact CG2-CD2 4.41Å; V87-L172 HydrophobicContact CG1-CD1 3.99Å; V87-L172 HydrophobicContact CG1-CG 4.43Å; V87-T519 HydrophobicContact CB-CG2 4.35Å; V87-T519 HydrophobicContact CG1-CG2 3.64Å; V87-I523 HydrophobicContact CG2-CB 3.86Å; V87-I523 HydrophobicContact CG2-CD1 4.19Å; V87-I523 HydrophobicContact CG2-CG1 4.47Å
88	V	98.1	Very high	94.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	113.6	171.7	-176.2	0	0	0	0	108.6	R96 V97 L148 L151 L152 L169 Y170 I171 L172	V88-R96 CarbonylContact C-O 3.52Å; V88-R96 VanDerWaalsContact CA-O 3.29Å; V88-R96 WeakPolarHBondContact CA-O 3.27Å; V88-V97 HydrophobicContact CG2-CB 4.27Å; V88-V97 HydrophobicContact CG2-CG2 4Å; V88-L148 HydrophobicContact CG1-CD2 4.24Å; V88-L151 HydrophobicContact CG1-CD1 4.12Å; V88-L152 HydrophobicContact CG2-CD2 4.06Å; V88-L169 HydrophobicContact CG2-CD1 4.05Å; V88-Y170 PolarHBondContact N-O 3.39Å; V88-I171 HydrophobicContact CB-CB 4.47Å; V88-I171 HydrophobicContact CB-CG1 4.21Å; V88-I171 HydrophobicContact CB-CG2 4.31Å; V88-I171 HydrophobicContact CG1-CG2 4.46Å; V88-I171 HydrophobicContact CG2-CG1 4.24Å; V88-L172 PolarHBondContact O-N 3.4Å
89	D	96	Very high	94.4	Very high	9 Å²	9	20.1 Å²	20.1	5%	0.048	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	111.8	166.8	159.6	36	0	0	0	108.7	G91 S95 R96 F98 W518 T519	D89-G91 PolarHBondContact O-N 3.35Å; D89-G91 PolarHBondContact OD1-N 3.25Å; D89-S95 CarbonylContact O-C 3.36Å; D89-S95 WeakPolarHBondContact O-CA 3.39Å; D89-R96 HydrophobicContact CB-CB 4.44Å; D89-R96 PolarHBondContact N-O 2.72Å; D89-R96 PolarHBondContact O-N 2.84Å; D89-R96 IonicContact OD2-CZ 3.86Å; D89-R96 IonicContact OD2-NH1 2.68Å; D89-R96 PolarHBondContact OD2-NH1 3.48Å; D89-F98 HydrophobicContact CB-CE2 4.14Å; D89-W518 HydrophobicContact CB-CH2 4.45Å; D89-W518 HydrophobicContact CB-CZ2 3.72Å; D89-W518 WeakPolarHBondContact OD1-CZ2 3.19Å; D89-T519 HydrophobicContact CB-CG2 3.91Å
90	C	95.9	Very high	94.5	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.007	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	76.2	174.4	-83.6	0	0	0	0	110.5	S95 I134 L172 C173 T174	C90-S95 PolarHBondContact SG-OG 3.47Å; C90-I134 HydrophobicContact CB-CG2 3.78Å; C90-L172 PolarHBondContact N-O 2.9Å; C90-C173 HydrophobicContact CB-CB 4.02Å; C90-C173 WeakPolarHBondContact CB-SG 3.3Å; C90-T174 PolarHBondContact O-N 3.33Å; C90-T174 VanDerWaalsContact O-N 3.13Å; C90-T174 PolarHBondContact O-OG1 2.97Å
91	G	89.8	Confident	94.7	Very high	5 Å²	5	13.5 Å²	13.5	5%	0.052	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	162.5	-179	0	0	0	0	0	114.9	D89 S93 G94 G133 T174	D89-G91 PolarHBondContact O-N 3.35Å; D89-G91 PolarHBondContact OD1-N 3.25Å; G91-S93 VanDerWaalsContact C-N 3.34Å; G91-S93 PolarHBondContact O-N 2.78Å; G91-G94 CarbonylContact C-O 3.55Å; G91-G94 WeakPolarHBondContact CA-O 3.46Å; G91-G94 PolarHBondContact N-O 3.26Å; G91-G94 PolarHBondContact O-N 3.17Å; G91-G133 WeakPolarHBondContact O-CA 3.19Å; G91-T174 WeakPolarHBondContact CA-OG1 3.3Å
92	S	86.9	Confident	94.7	Very high	38 Å²	38	11.8 Å²	11.8	27%	0.266	7%	0.066	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-34.2	178.7	54.2	0	0	0	0	114.2
93	S	84.6	Confident	94.6	Very high	53 Å²	53	13.3 Å²	13.3	37%	0.371	8%	0.076	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-7.9	-177.9	59.8	0	0	0	0	114.3	G91 R96	G91-S93 VanDerWaalsContact C-N 3.34Å; G91-S93 PolarHBondContact O-N 2.78Å; S93-R96 PolarHBondContact OG-NH2 3.28Å
94	G	91.1	Very high	94.3	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.7	160.1	-172.7	0	0	0	0	0	112	G91 R96 I130	G91-G94 CarbonylContact C-O 3.55Å; G91-G94 WeakPolarHBondContact CA-O 3.46Å; G91-G94 PolarHBondContact N-O 3.26Å; G91-G94 PolarHBondContact O-N 3.17Å; G94-R96 PolarHBondContact O-NH1 2.99Å; G94-R96 VanDerWaalsContact O-NH1 3.13Å; G94-I130 CarbonylContact C-O 3.52Å; G94-I130 WeakPolarHBondContact CA-O 3.35Å
95	S	94.7	Very high	93.8	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	150.9	174.8	-59.2	0	0	0	0	112.2	D89 C90 K129 I130 Y147	D89-S95 CarbonylContact O-C 3.36Å; D89-S95 WeakPolarHBondContact O-CA 3.39Å; C90-S95 PolarHBondContact SG-OG 3.47Å; S95-K129 WeakPolarHBondContact O-CA 3.44Å; S95-I130 PolarHBondContact N-O 2.66Å; S95-I130 VanDerWaalsContact N-O 3.1Å; S95-I130 PolarHBondContact O-N 3Å; S95-Y147 WeakPolarHBondContact CB-OH 3.17Å; S95-Y147 PolarHBondContact N-OH 2.75Å; S95-Y147 WeakPolarHBondContact OG-CE1 3.32Å; S95-Y147 PolarHBondContact OG-OH 2.69Å
96	R	94.9	Very high	93.2	Very high	46 Å²	46	20.4 Å²	20.4	17%	0.174	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	134.5	-176.1	-49.4	171.9	-177.9	68.4	14.3	110	V88 D89 S93 G94 F98 K128 K129	V88-R96 CarbonylContact C-O 3.52Å; V88-R96 VanDerWaalsContact CA-O 3.29Å; V88-R96 WeakPolarHBondContact CA-O 3.27Å; D89-R96 HydrophobicContact CB-CB 4.44Å; D89-R96 PolarHBondContact N-O 2.72Å; D89-R96 PolarHBondContact O-N 2.84Å; D89-R96 IonicContact OD2-CZ 3.86Å; D89-R96 IonicContact OD2-NH1 2.68Å; D89-R96 PolarHBondContact OD2-NH1 3.48Å; S93-R96 PolarHBondContact OG-NH2 3.28Å; G94-R96 PolarHBondContact O-NH1 2.99Å; G94-R96 VanDerWaalsContact O-NH1 3.13Å; R96-F98 HydrophobicContact CB-CE2 3.72Å; R96-F98 HydrophobicContact CB-CZ 4.07Å; R96-K128 CarbonylContact C-O 3.52Å; R96-K128 VanDerWaalsContact CA-O 3.24Å; R96-K128 WeakPolarHBondContact CA-O 3.49Å; R96-K129 HydrophobicContact CB-CG 4.14Å; R96-K129 HydrophobicContact CG-CB 4.04Å; R96-K129 HydrophobicContact CG-CD 3.94Å; R96-K129 HydrophobicContact CG-CG 3.68Å
97	V	97.4	Very high	92.3	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	138.3	171.5	66.7	0	0	0	0	110.2	I86 V88 V127 K128 L151 F154 A155	I86-V97 HydrophobicContact CG2-CG2 3.48Å; I86-V97 VanDerWaalsContact CG2-CG2 3.48Å; V88-V97 HydrophobicContact CG2-CB 4.27Å; V88-V97 HydrophobicContact CG2-CG2 4Å; V97-V127 VanDerWaalsContact O-CA 3.32Å; V97-V127 WeakPolarHBondContact O-CA 3.19Å; V97-K128 HydrophobicContact CG1-CB 3.91Å; V97-K128 PolarHBondContact N-O 2.89Å; V97-K128 PolarHBondContact O-N 2.8Å; V97-L151 HydrophobicContact CB-CB 4.02Å; V97-L151 HydrophobicContact CB-CD1 4.5Å; V97-L151 HydrophobicContact CB-CD2 4.47Å; V97-L151 HydrophobicContact CG1-CB 3.99Å; V97-L151 HydrophobicContact CG1-CD2 4Å; V97-L151 HydrophobicContact CG1-CG 4.5Å; V97-F154 HydrophobicContact CG1-CD1 3.82Å; V97-F154 HydrophobicContact CG1-CE1 4.37Å; V97-A155 HydrophobicContact CG2-CB 4.11Å
98	F	95.8	Very high	91.6	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	127.1	174.2	-60.1	-91.4	0	0	0	108.3	I86 V87 D89 R96 Y100 V127 Q517 T519	I86-F98 WeakPolarHBondContact CA-O 3.46Å; V87-F98 PolarHBondContact N-O 3.26Å; V87-F98 PolarHBondContact O-N 2.83Å; D89-F98 HydrophobicContact CB-CE2 4.14Å; R96-F98 HydrophobicContact CB-CE2 3.72Å; R96-F98 HydrophobicContact CB-CZ 4.07Å; F98-Y100 HydrophobicContact CB-CD2 4.28Å; F98-Y100 HydrophobicContact CB-CE2 3.51Å; F98-Y100 HydrophobicContact CG-CE2 4.46Å; F98-V127 HydrophobicContact CD1-CB 4.46Å; F98-V127 HydrophobicContact CD1-CG1 4.07Å; F98-V127 HydrophobicContact CD1-CG2 3.57Å; F98-V127 HydrophobicContact CE1-CG1 3.78Å; F98-V127 HydrophobicContact CE1-CG2 3.93Å; F98-V127 HydrophobicContact CG-CG2 4.48Å; F98-V127 HydrophobicContact CZ-CG1 4.32Å; F98-Q517 HydrophobicContact CE1-CB 4.4Å; F98-Q517 HydrophobicContact CE1-CG 3.77Å; F98-Q517 HydrophobicContact CZ-CB 4.3Å; F98-Q517 HydrophobicContact CZ-CG 3.73Å; F98-T519 HydrophobicContact CD2-CG2 3.84Å; F98-T519 WeakPolarHBondContact CD2-OG1 3.23Å; F98-T519 HydrophobicContact CE2-CG2 3.93Å
99	V	97.2	Very high	90.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	125.6	171.4	-170.7	0	0	0	0	108.7	I86 Q117 M118 V126 A155 V159	I86-V99 HydrophobicContact CG1-CG1 4.48Å; I86-V99 HydrophobicContact CG1-CG2 4.46Å; V99-Q117 PolarHBondContact O-NE2 2.86Å; V99-M118 HydrophobicContact CB-CB 4.09Å; V99-M118 HydrophobicContact CB-SD 4.23Å; V99-M118 HydrophobicContact CG1-CB 4.01Å; V99-M118 HydrophobicContact CG1-CG 4.41Å; V99-M118 HydrophobicContact CG1-SD 3.51Å; V99-M118 VanDerWaalsContact CG1-SD 3.51Å; V99-M118 VanDerWaalsContact O-CB 3.28Å; V99-M118 WeakPolarHBondContact O-CB 2.98Å; V99-M118 PolarHBondContact O-N 3.05Å; V99-V126 HydrophobicContact CB-CB 4.16Å; V99-V126 HydrophobicContact CB-CG1 3.87Å; V99-V126 HydrophobicContact CG2-CB 4.41Å; V99-V126 HydrophobicContact CG2-CG1 3.62Å; V99-V126 PolarHBondContact N-O 3.25Å; V99-A155 HydrophobicContact CG2-CB 3.82Å; V99-V159 HydrophobicContact CG1-CG2 3.74Å
100	Y	95.6	Very high	89.9	Confident	2 Å²	2	30 Å²	30	1%	0.008	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	155.8	177.4	-62.4	-77	0	0	0	110	Y84 G85 V87 F98 I115 R116 T519 L520 I523	Y84-Y100 CarbonylContact C-O 3.55Å; Y84-Y100 VanDerWaalsContact CA-O 3.27Å; Y84-Y100 WeakPolarHBondContact CA-O 3.47Å; G85-Y100 PolarHBondContact N-O 3.27Å; G85-Y100 PolarHBondContact O-N 2.7Å; V87-Y100 HydrophobicContact CB-CE2 4.38Å; V87-Y100 HydrophobicContact CG2-CD2 4.35Å; V87-Y100 HydrophobicContact CG2-CE2 4.19Å; F98-Y100 HydrophobicContact CB-CD2 4.28Å; F98-Y100 HydrophobicContact CB-CE2 3.51Å; F98-Y100 HydrophobicContact CG-CE2 4.46Å; Y100-I115 HydrophobicContact CD1-CG2 4.04Å; Y100-I115 HydrophobicContact CG-CG2 4.13Å; Y100-R116 CarbonylContact C-O 3.56Å; Y100-R116 VanDerWaalsContact CA-O 3.27Å; Y100-R116 WeakPolarHBondContact CA-O 3.5Å; Y100-T519 PolarHBondContact OH-OG1 2.58Å; Y100-L520 HydrophobicContact CD1-CD1 4Å; Y100-L520 HydrophobicContact CE1-CB 4.12Å; Y100-L520 HydrophobicContact CE1-CD1 3.76Å; Y100-L520 HydrophobicContact CE1-CG 4.47Å; Y100-L520 PolarHBondContact OH-N 2.96Å; Y100-I523 HydrophobicContact CD2-CB 4.35Å; Y100-I523 HydrophobicContact CD2-CG2 3.84Å; Y100-I523 HydrophobicContact CE2-CG2 4.08Å; Y100-I523 HydrophobicContact CG-CG2 4.12Å
101	Y	95.3	Very high	89.3	Confident	22 Å²	22	31.8 Å²	31.8	9%	0.086	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	159	171.9	77.9	-76.4	0	0	0	110.9	T75 L82 N83 R116 Q117 M118	T75-Y101 HydrophobicContact CG2-CD1 3.93Å; T75-Y101 HydrophobicContact CG2-CD2 3.82Å; T75-Y101 HydrophobicContact CG2-CE1 4.03Å; T75-Y101 HydrophobicContact CG2-CE2 3.93Å; T75-Y101 HydrophobicContact CG2-CG 3.81Å; T75-Y101 WeakPolarHBondContact OG1-CE1 3.45Å; L82-Y101 HydrophobicContact CD1-CD2 3.96Å; L82-Y101 HydrophobicContact CD1-CE2 4.3Å; L82-Y101 HydrophobicContact CD2-CD2 4.09Å; L82-Y101 HydrophobicContact CD2-CE2 4.42Å; N83-Y101 CarbonylContact O-C 3.1Å; N83-Y101 WeakPolarHBondContact O-CA 3.13Å; N83-Y101 WeakPolarHBondContact O-CB 3.13Å; Y101-R116 HydrophobicContact CD1-CB 4.08Å; Y101-R116 WeakPolarHBondContact CD1-O 3.48Å; Y101-R116 HydrophobicContact CE1-CB 3.55Å; Y101-R116 PolarHBondContact N-O 3.28Å; Y101-R116 PolarHBondContact O-N 3.31Å; Y101-Q117 WeakPolarHBondContact CE1-O 3.45Å; Y101-M118 HydrophobicContact CD1-CB 4.09Å
102	W	93.3	Very high	89.2	Confident	6 Å²	6	33 Å²	33	2%	0.023	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	146.6	172.4	53	94	0	0	0	110.8	N83 Y84 D114 I115 I523 T527 L530	N83-W102 HydrophobicContact CB-CD2 4.31Å; N83-W102 HydrophobicContact CB-CG 4.43Å; N83-W102 HydrophobicContact CB-CZ2 4.05Å; N83-W102 PolarHBondContact N-O 2.68Å; N83-W102 PolarHBondContact O-N 2.86Å; Y84-W102 WeakPolarHBondContact O-CH2 3.27Å; W102-D114 WeakPolarHBondContact CA-O 3.13Å; W102-D114 VanDerWaalsContact CB-O 3.22Å; W102-D114 WeakPolarHBondContact CB-O 3Å; W102-I115 HydrophobicContact CB-CG1 4.32Å; W102-I115 HydrophobicContact CD2-CG1 4.28Å; W102-I115 HydrophobicContact CE3-CD1 4.3Å; W102-I115 HydrophobicContact CE3-CG1 3.97Å; W102-I115 HydrophobicContact CE3-CG2 4.22Å; W102-I115 HydrophobicContact CG-CG1 4.46Å; W102-I523 HydrophobicContact CH2-CD1 4.5Å; W102-I523 HydrophobicContact CH2-CG1 4.48Å; W102-I523 HydrophobicContact CZ3-CG1 4.14Å; W102-T527 HydrophobicContact CH2-CG2 4.14Å; W102-T527 HydrophobicContact CZ2-CG2 4.35Å; W102-L530 HydrophobicContact CZ2-CD1 3.69Å
103	P	92.5	Very high	89.3	Confident	42 Å²	42	31.5 Å²	31.5	27%	0.273	18%	0.184	S	C	.	.	P	Polyproline II helix	trans	-71.3	172.1	170.1	32.6	-35.1	0	0	0	111.4	L82 D114	L82-P103 HydrophobicContact CD2-CB 4.18Å; P103-D114 WeakPolarHBondContact CD-O 3.36Å; P103-D114 HydrophobicContact CG-CB 4.38Å
104	P	88.9	Confident	89.5	Confident	71 Å²	71	32 Å²	32	46%	0.461	18%	0.182	S	C	.	.	P	Polyproline II helix	trans	-54.3	146.5	169.2	-24.2	34.7	0	0	0	111.7	A81	A81-P104 HydrophobicContact CB-CG 3.83Å; A81-P104 WeakPolarHBondContact O-CD 3.35Å
105	H	87.8	Confident	89.5	Confident	21 Å²	21	32.2 Å²	32.2	10%	0.097	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-67.3	144.9	179	-171.5	-104.8	0	0	0	110.7	G107 N108 T111 L113 P531 D534	H105-G107 PolarHBondContact ND1-N 3.06Å; H105-G107 PolarHBondContact O-N 3.26Å; H105-N108 PolarHBondContact CE1-O 3.14Å; H105-T111 PolarHBondContact NE2-O 2.77Å; H105-T111 VanDerWaalsContact NE2-O 3.14Å; H105-T111 PolarHBondContact NE2-OG1 3.32Å; H105-L113 HydrophobicContact CB-CD2 4.33Å; H105-P531 HydrophobicContact CB-CB 4.36Å; H105-D534 HydrophobicContact CB-CB 4.49Å; H105-D534 WeakPolarHBondContact CB-OD2 3.4Å; H105-D534 PolarHBondContact N-OD2 2.77Å
106	N	83.8	Confident	89.3	Confident	111 Å²	111	34.1 Å²	34.1	59%	0.594	19%	0.19	S	C	*	.			trans	-75.9	-1	-174.6	65.7	11.3	0	0	0	114.3	N108 T111	N106-N108 VanDerWaalsContact C-N 3.34Å; N106-N108 PolarHBondContact O-N 3.03Å; N106-N108 WeakPolarHBondContact OD1-CB 3.38Å; N106-N108 PolarHBondContact OD1-N 2.85Å; N106-T111 PolarHBondContact ND2-OG1 3.03Å; N106-T111 VanDerWaalsContact ND2-OG1 3.11Å; N106-T111 PolarHBondContact OD1-OG1 3.49Å
107	G	80.9	Confident	89.1	Confident	41 Å²	41	33 Å²	33	42%	0.423	19%	0.187	S	C	.	.	S	Bend	trans	79	5.8	-177.9	0	0	0	0	0	115.6	H105 L535	H105-G107 PolarHBondContact ND1-N 3.06Å; H105-G107 PolarHBondContact O-N 3.26Å; G107-L535 VanDerWaalsContact C-CD2 3.42Å; G107-L535 WeakPolarHBondContact O-CD2 3.47Å
108	N	83.2	Confident	88.9	Confident	58 Å²	58	33.1 Å²	33.1	31%	0.31	19%	0.188	S	C	.	.			trans	-91.7	114.3	174.9	-178.8	-7.1	0	0	0	110.7	H105 N106 H110 T111	H105-N108 PolarHBondContact CE1-O 3.14Å; N106-N108 VanDerWaalsContact C-N 3.34Å; N106-N108 PolarHBondContact O-N 3.03Å; N106-N108 WeakPolarHBondContact OD1-CB 3.38Å; N106-N108 PolarHBondContact OD1-N 2.85Å; N108-H110 PolarHBondContact O-N 3.44Å; N108-H110 WeakPolarHBondContact OD1-CB 3.29Å; N108-H110 PolarHBondContact OD1-CD2 2.03Å; N108-H110 PolarHBondContact OD1-N 3.28Å; N108-T111 HydrophobicContact CB-CG2 4.21Å; N108-T111 PolarHBondContact O-N 3.22Å; N108-T111 VanDerWaalsContact O-N 3.08Å; N108-T111 PolarHBondContact O-OG1 3.4Å
109	P	78.1	Confident	88.8	Confident	43 Å²	43	34.5 Å²	34.5	28%	0.279	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-14.7	-177.6	27.9	-36.2	0	0	0	114.2	L535	P109-L535 HydrophobicContact CB-CD1 4.33Å
110	H	80.4	Confident	88.6	Confident	70 Å²	70	36.2 Å²	36.2	32%	0.324	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-10.5	177.8	-56.3	-56	0	0	0	113.8	N108 H234 Q306 Q308 H309	N108-H110 PolarHBondContact O-N 3.44Å; N108-H110 WeakPolarHBondContact OD1-CB 3.29Å; N108-H110 PolarHBondContact OD1-CD2 2.03Å; N108-H110 PolarHBondContact OD1-N 3.28Å; H110-H234 WeakPolarHBondContact CB-NE2 3.17Å; H110-Q306 PolarHBondContact CE1-OE1 2.85Å; H110-Q306 VanDerWaalsContact CE1-OE1 3.32Å; H110-Q306 PolarHBondContact ND1-OE1 3.02Å; H110-Q308 PolarHBondContact ND1-OE1 3.5Å; H110-H309 PolarHBondContact O-NE2 3.02Å
111	T	83.2	Confident	88.5	Confident	38 Å²	38	41.2 Å²	41.2	23%	0.233	24%	0.237	C	C	.	.	S	Bend	trans	-98.3	147.4	178.2	55.3	0	0	0	0	111.7	H105 N106 N108	H105-T111 PolarHBondContact NE2-O 2.77Å; H105-T111 VanDerWaalsContact NE2-O 3.14Å; H105-T111 PolarHBondContact NE2-OG1 3.32Å; N106-T111 PolarHBondContact ND2-OG1 3.03Å; N106-T111 VanDerWaalsContact ND2-OG1 3.11Å; N106-T111 PolarHBondContact OD1-OG1 3.49Å; N108-T111 HydrophobicContact CB-CG2 4.21Å; N108-T111 PolarHBondContact O-N 3.22Å; N108-T111 VanDerWaalsContact O-N 3.08Å; N108-T111 PolarHBondContact O-OG1 3.4Å
112	L	88.3	Confident	88.3	Confident	31 Å²	31	45.4 Å²	45.4	16%	0.162	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-87.3	169.9	171.9	-55.1	-179.2	0	0	0	110.1	D114 F227 F232 L300 L524	L112-D114 PolarHBondContact O-N 2.98Å; L112-F227 HydrophobicContact CD1-CD2 4.48Å; L112-F232 HydrophobicContact CD1-CB 3.84Å; L112-F232 HydrophobicContact CD1-CD2 3.68Å; L112-F232 HydrophobicContact CD1-CG 4.01Å; L112-L300 HydrophobicContact CD1-CB 4.45Å; L112-L300 HydrophobicContact CD2-CB 4.2Å; L112-L300 WeakPolarHBondContact CD2-O 3.44Å; L112-L524 HydrophobicContact CB-CD1 4.38Å; L112-L524 HydrophobicContact CD1-CD2 4.22Å
113	L	88.3	Confident	88.2	Confident	7 Å²	7	47.5 Å²	47.5	4%	0.037	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-60.3	134.2	170	-70.5	170.9	0	0	0	110.8	H105 I115 F227 L524 T527 L530 P531	H105-L113 HydrophobicContact CB-CD2 4.33Å; L113-I115 HydrophobicContact CB-CD1 4.26Å; L113-I115 HydrophobicContact CB-CG1 3.8Å; L113-I115 HydrophobicContact CD1-CD1 4.45Å; L113-I115 PolarHBondContact O-N 2.98Å; L113-F227 WeakPolarHBondContact O-CE2 3.44Å; L113-F227 WeakPolarHBondContact O-CZ 3.41Å; L113-L524 HydrophobicContact CB-CD1 4.38Å; L113-T527 WeakPolarHBondContact CD1-O 3.42Å; L113-T527 WeakPolarHBondContact CD1-OG1 3.28Å; L113-L530 HydrophobicContact CD1-CB 4.27Å; L113-L530 HydrophobicContact CD1-CD1 4.44Å; L113-P531 HydrophobicContact CD1-CG 4.47Å; L113-P531 HydrophobicContact CD2-CG 3.76Å; L113-P531 HydrophobicContact CG-CG 3.8Å
114	D	89.5	Confident	88	Confident	64 Å²	64	51.2 Å²	51.2	34%	0.342	29%	0.288	S	S	.	.			trans	-79.5	72.7	173.1	-176.7	9	0	0	0	110.4	W102 P103 L112 R116	W102-D114 WeakPolarHBondContact CA-O 3.13Å; W102-D114 VanDerWaalsContact CB-O 3.22Å; W102-D114 WeakPolarHBondContact CB-O 3Å; P103-D114 WeakPolarHBondContact CD-O 3.36Å; P103-D114 HydrophobicContact CG-CB 4.38Å; L112-D114 PolarHBondContact O-N 2.98Å; D114-R116 IonicContact OD1-CZ 3.11Å; D114-R116 IonicContact OD1-NE 3.75Å; D114-R116 PolarHBondContact OD1-NE 2.93Å; D114-R116 VanDerWaalsContact OD1-NE 3.12Å; D114-R116 IonicContact OD1-NH2 2.76Å; D114-R116 IonicContact OD2-CZ 2.83Å; D114-R116 VanDerWaalsContact OD2-CZ 3.3Å; D114-R116 IonicContact OD2-NE 2.98Å; D114-R116 PolarHBondContact OD2-NE 3.31Å; D114-R116 VanDerWaalsContact OD2-NE 3.13Å; D114-R116 IonicContact OD2-NH2 3.86Å; D114-R116 PolarHBondContact OD2-NH2 3.38Å
115	I	91	Very high	88.1	Confident	3 Å²	3	50.9 Å²	50.9	2%	0.015	29%	0.286	C	S	.	.			trans	-78.2	126.6	179	-57.6	-175.1	0	0	0	110.3	Y100 W102 L113 F227 L520 I523 L524	Y100-I115 HydrophobicContact CD1-CG2 4.04Å; Y100-I115 HydrophobicContact CG-CG2 4.13Å; W102-I115 HydrophobicContact CB-CG1 4.32Å; W102-I115 HydrophobicContact CD2-CG1 4.28Å; W102-I115 HydrophobicContact CE3-CD1 4.3Å; W102-I115 HydrophobicContact CE3-CG1 3.97Å; W102-I115 HydrophobicContact CE3-CG2 4.22Å; W102-I115 HydrophobicContact CG-CG1 4.46Å; L113-I115 HydrophobicContact CB-CD1 4.26Å; L113-I115 HydrophobicContact CB-CG1 3.8Å; L113-I115 HydrophobicContact CD1-CD1 4.45Å; L113-I115 PolarHBondContact O-N 2.98Å; I115-F227 HydrophobicContact CB-CE1 4.45Å; I115-F227 HydrophobicContact CB-CZ 4.42Å; I115-F227 VanDerWaalsContact O-CE1 3.32Å; I115-F227 WeakPolarHBondContact O-CE1 3.27Å; I115-L520 HydrophobicContact CB-CD1 4.25Å; I115-L520 HydrophobicContact CG2-CD1 3.7Å; I115-I523 HydrophobicContact CD1-CG1 4.36Å; I115-I523 HydrophobicContact CD1-CG2 4.1Å; I115-I523 HydrophobicContact CG2-CG2 4.03Å; I115-L524 HydrophobicContact CD1-CB 4.05Å; I115-L524 HydrophobicContact CD1-CD1 3.7Å; I115-L524 HydrophobicContact CG1-CD1 4.16Å
116	R	89.9	Confident	88.4	Confident	41 Å²	41	50 Å²	50	16%	0.155	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	149.9	179.2	-58	-179	-173.5	-170.6	5.3	110.3	E70 Y100 Y101 D114 M118	E70-R116 IonicContact OE2-NH1 3.31Å; E70-R116 IonicContact OE2-NH2 3.35Å; Y100-R116 CarbonylContact C-O 3.56Å; Y100-R116 VanDerWaalsContact CA-O 3.27Å; Y100-R116 WeakPolarHBondContact CA-O 3.5Å; Y101-R116 HydrophobicContact CD1-CB 4.08Å; Y101-R116 WeakPolarHBondContact CD1-O 3.48Å; Y101-R116 HydrophobicContact CE1-CB 3.55Å; Y101-R116 PolarHBondContact N-O 3.28Å; Y101-R116 PolarHBondContact O-N 3.31Å; D114-R116 IonicContact OD1-CZ 3.11Å; D114-R116 IonicContact OD1-NE 3.75Å; D114-R116 PolarHBondContact OD1-NE 2.93Å; D114-R116 VanDerWaalsContact OD1-NE 3.12Å; D114-R116 IonicContact OD1-NH2 2.76Å; D114-R116 IonicContact OD2-CZ 2.83Å; D114-R116 VanDerWaalsContact OD2-CZ 3.3Å; D114-R116 IonicContact OD2-NE 2.98Å; D114-R116 PolarHBondContact OD2-NE 3.31Å; D114-R116 VanDerWaalsContact OD2-NE 3.13Å; D114-R116 IonicContact OD2-NH2 3.86Å; D114-R116 PolarHBondContact OD2-NH2 3.38Å; R116-M118 PolarHBondContact O-N 3.36Å
117	Q	91.4	Very high	88.8	Confident	23 Å²	23	46.1 Å²	46.1	11%	0.107	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	127.3	170.8	-173.5	82.8	71.7	0	0	108.2	V99 Y101 P125	V99-Q117 PolarHBondContact O-NE2 2.86Å; Y101-Q117 WeakPolarHBondContact CE1-O 3.45Å; Q117-P125 HydrophobicContact CG-CB 3.94Å
118	M	93.4	Very high	89.5	Confident	2 Å²	2	47.7 Å²	47.7	1%	0.01	26%	0.258	C	S	.	.			trans	-62.5	142.1	174.9	-172.9	177.9	-178.5	0	0	110.2	T75 I77 Y84 V99 Y101 R116 P125 V126 H158	T75-M118 HydrophobicContact CG2-CG 4.25Å; I77-M118 HydrophobicContact CG2-CE 3.56Å; Y84-M118 HydrophobicContact CD1-SD 4.12Å; Y84-M118 HydrophobicContact CE1-CE 4.14Å; Y84-M118 HydrophobicContact CE1-SD 4.09Å; V99-M118 HydrophobicContact CB-CB 4.09Å; V99-M118 HydrophobicContact CB-SD 4.23Å; V99-M118 HydrophobicContact CG1-CB 4.01Å; V99-M118 HydrophobicContact CG1-CG 4.41Å; V99-M118 HydrophobicContact CG1-SD 3.51Å; V99-M118 VanDerWaalsContact CG1-SD 3.51Å; V99-M118 VanDerWaalsContact O-CB 3.28Å; V99-M118 WeakPolarHBondContact O-CB 2.98Å; V99-M118 PolarHBondContact O-N 3.05Å; Y101-M118 HydrophobicContact CD1-CB 4.09Å; R116-M118 PolarHBondContact O-N 3.36Å; M118-P125 WeakPolarHBondContact O-CA 3.41Å; M118-V126 HydrophobicContact CB-CB 4.18Å; M118-V126 HydrophobicContact CB-CG2 4.08Å; M118-V126 HydrophobicContact CG-CB 4.36Å; M118-V126 HydrophobicContact CG-CG2 3.79Å; M118-V126 PolarHBondContact O-N 3.39Å; M118-V126 HydrophobicContact SD-CG2 4.23Å; M118-H158 HydrophobicContact CE-CB 4.07Å; M118-H158 WeakPolarHBondContact CE-O 3.02Å; M118-H158 HydrophobicContact SD-CB 4.23Å
119	R	92.7	Very high	89.9	Confident	29 Å²	29	49.5 Å²	49.5	11%	0.109	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-118.7	138.8	173.3	-69.3	-174.7	178.8	-93.3	-0.2	110.7	S71 M72 E73 T75 S123 K124 D513	S71-R119 WeakPolarHBondContact O-CD 3.33Å; S71-R119 PolarHBondContact O-NE 3.07Å; M72-R119 VanDerWaalsContact O-CD 3.26Å; M72-R119 WeakPolarHBondContact O-CD 3.32Å; E73-R119 WeakPolarHBondContact O-CD 3.48Å; T75-R119 PolarHBondContact N-O 2.64Å; T75-R119 VanDerWaalsContact N-O 3.1Å; T75-R119 PolarHBondContact OG1-N 3.26Å; T75-R119 PolarHBondContact OG1-O 3.09Å; R119-S123 PolarHBondContact NH1-O 3.25Å; R119-K124 CarbonylContact C-O 3.28Å; R119-K124 WeakPolarHBondContact CA-O 3.4Å; R119-D513 PolarHBondContact NH2-O 3.25Å
120	D	93.6	Very high	90.7	Very high	35 Å²	35	48.9 Å²	48.9	19%	0.187	26%	0.257	C	S	.	.			trans	-73.4	-178.2	175.3	66.9	17.9	0	0	0	112	A74 D122 S123 K124 V126	A74-D120 WeakPolarHBondContact CA-O 3.45Å; A74-D120 WeakPolarHBondContact CB-O 3.11Å; D120-D122 PolarHBondContact O-N 3.41Å; D120-D122 WeakPolarHBondContact OD1-CA 3.42Å; D120-D122 WeakPolarHBondContact OD1-CB 3.23Å; D120-D122 PolarHBondContact OD1-N 3.42Å; D120-S123 WeakPolarHBondContact O-CA 3.4Å; D120-S123 PolarHBondContact O-N 3.36Å; D120-S123 PolarHBondContact OD1-N 2.82Å; D120-K124 PolarHBondContact N-O 2.78Å; D120-K124 WeakPolarHBondContact OD1-CB 3.31Å; D120-K124 PolarHBondContact OD1-N 2.97Å; D120-V126 HydrophobicContact CB-CG2 4.15Å
121	S	92.8	Very high	91.3	Very high	107 Å²	107	53.4 Å²	53.4	75%	0.748	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-24.2	178.8	55.2	0	0	0	0	114	S123	S121-S123 PolarHBondContact O-N 3.01Å
122	D	92.2	Very high	91.8	Very high	111 Å²	111	55 Å²	55	59%	0.594	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	11.7	176.8	-64.3	-18.7	0	0	0	111.7	D120 K124	D120-D122 PolarHBondContact O-N 3.41Å; D120-D122 WeakPolarHBondContact OD1-CA 3.42Å; D120-D122 WeakPolarHBondContact OD1-CB 3.23Å; D120-D122 PolarHBondContact OD1-N 3.42Å; D122-K124 HydrophobicContact CB-CD 4.38Å; D122-K124 HydrophobicContact CB-CG 4.28Å; D122-K124 PolarHBondContact O-N 2.92Å
123	S	89.6	Confident	92	Very high	49 Å²	49	53.6 Å²	53.6	34%	0.343	28%	0.279	S	S	.	.	S	Bend	trans	60.6	24.4	-176.6	-58.6	0	0	0	0	113.3	M72 A74 R119 D120 S121	M72-S123 WeakPolarHBondContact O-CB 3.17Å; A74-S123 PolarHBondContact N-OG 3.43Å; R119-S123 PolarHBondContact NH1-O 3.25Å; D120-S123 WeakPolarHBondContact O-CA 3.4Å; D120-S123 PolarHBondContact O-N 3.36Å; D120-S123 PolarHBondContact OD1-N 2.82Å; S121-S123 PolarHBondContact O-N 3.01Å
124	K	89.7	Confident	92.4	Very high	121 Å²	121	53.2 Å²	53.2	53%	0.526	28%	0.277	S	S	.	.			trans	-94.1	144.7	176.1	-64.7	178.4	-175.4	164.4	0	110.7	R119 D120 D122 V126	R119-K124 CarbonylContact C-O 3.28Å; R119-K124 WeakPolarHBondContact CA-O 3.4Å; D120-K124 PolarHBondContact N-O 2.78Å; D120-K124 WeakPolarHBondContact OD1-CB 3.31Å; D120-K124 PolarHBondContact OD1-N 2.97Å; D122-K124 HydrophobicContact CB-CD 4.38Å; D122-K124 HydrophobicContact CB-CG 4.28Å; D122-K124 PolarHBondContact O-N 2.92Å; K124-V126 PolarHBondContact O-N 2.61Å
125	P	90.2	Very high	92.6	Very high	64 Å²	64	51.2 Å²	51.2	42%	0.416	27%	0.269	S	S	.	.	B	Isolated β-bridge	trans	-61.6	131.8	177.6	27.2	-34.6	0	0	0	110.6	Q117 M118 V127	Q117-P125 HydrophobicContact CG-CB 3.94Å; M118-P125 WeakPolarHBondContact O-CA 3.41Å; P125-V127 HydrophobicContact CB-CG2 4.24Å; P125-V127 PolarHBondContact O-N 2.95Å
126	V	94.2	Very high	92.9	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.006	29%	0.291	C	S	.	.			trans	-75.5	80.6	178.6	-176.5	0	0	0	0	109.1	V99 M118 D120 K124 F154 H158	V99-V126 HydrophobicContact CB-CB 4.16Å; V99-V126 HydrophobicContact CB-CG1 3.87Å; V99-V126 HydrophobicContact CG2-CB 4.41Å; V99-V126 HydrophobicContact CG2-CG1 3.62Å; V99-V126 PolarHBondContact N-O 3.25Å; M118-V126 HydrophobicContact CB-CB 4.18Å; M118-V126 HydrophobicContact CB-CG2 4.08Å; M118-V126 HydrophobicContact CG-CB 4.36Å; M118-V126 HydrophobicContact CG-CG2 3.79Å; M118-V126 PolarHBondContact O-N 3.39Å; M118-V126 HydrophobicContact SD-CG2 4.23Å; D120-V126 HydrophobicContact CB-CG2 4.15Å; K124-V126 PolarHBondContact O-N 2.61Å; V126-F154 HydrophobicContact CG1-CD1 4.4Å; V126-F154 HydrophobicContact CG1-CE1 3.51Å; V126-F154 HydrophobicContact CG1-CZ 3.84Å; V126-H158 HydrophobicContact CG1-CB 3.89Å
127	V	93.1	Very high	93.2	Very high	30 Å²	30	54 Å²	54	18%	0.182	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	132.1	-179.7	178.9	0	0	0	0	109.1	V97 F98 P125 K129	V97-V127 VanDerWaalsContact O-CA 3.32Å; V97-V127 WeakPolarHBondContact O-CA 3.19Å; F98-V127 HydrophobicContact CD1-CB 4.46Å; F98-V127 HydrophobicContact CD1-CG1 4.07Å; F98-V127 HydrophobicContact CD1-CG2 3.57Å; F98-V127 HydrophobicContact CE1-CG1 3.78Å; F98-V127 HydrophobicContact CE1-CG2 3.93Å; F98-V127 HydrophobicContact CG-CG2 4.48Å; F98-V127 HydrophobicContact CZ-CG1 4.32Å; P125-V127 HydrophobicContact CB-CG2 4.24Å; P125-V127 PolarHBondContact O-N 2.95Å; V127-K129 HydrophobicContact CG1-CG 4.35Å
128	K	94	Very high	93.4	Very high	74 Å²	74	53.6 Å²	53.6	32%	0.322	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	140.6	173.6	-172.6	174.9	179.2	-177.7	0	110.1	R96 V97 P150 L151 F154	R96-K128 CarbonylContact C-O 3.52Å; R96-K128 VanDerWaalsContact CA-O 3.24Å; R96-K128 WeakPolarHBondContact CA-O 3.49Å; V97-K128 HydrophobicContact CG1-CB 3.91Å; V97-K128 PolarHBondContact N-O 2.89Å; V97-K128 PolarHBondContact O-N 2.8Å; K128-P150 WeakPolarHBondContact CD-O 3.48Å; K128-P150 WeakPolarHBondContact CE-O 3.47Å; K128-P150 PolarHBondContact NZ-O 3.47Å; K128-L151 HydrophobicContact CB-CD2 3.94Å; K128-L151 HydrophobicContact CD-CD2 4.26Å; K128-L151 HydrophobicContact CG-CD2 3.85Å; K128-L151 WeakPolarHBondContact O-CD2 3.41Å; K128-F154 HydrophobicContact CB-CB 4.49Å; K128-F154 HydrophobicContact CB-CD1 3.58Å; K128-F154 HydrophobicContact CB-CD2 4.29Å; K128-F154 HydrophobicContact CB-CE1 3.73Å; K128-F154 HydrophobicContact CB-CE2 4.41Å; K128-F154 HydrophobicContact CB-CG 3.87Å; K128-F154 HydrophobicContact CB-CZ 4.15Å; K128-F154 HydrophobicContact CD-CB 3.56Å; K128-F154 HydrophobicContact CD-CD1 4.16Å; K128-F154 HydrophobicContact CD-CD2 3.75Å; K128-F154 HydrophobicContact CD-CE2 4.46Å; K128-F154 HydrophobicContact CD-CG 3.56Å; K128-F154 HydrophobicContact CG-CG 4.37Å
129	K	93.1	Very high	93.6	Very high	96 Å²	96	60 Å²	60	42%	0.417	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	138.4	-176.5	-49.3	-169.3	175.4	-179.4	0	109.2	S95 R96 V127 E515	S95-K129 WeakPolarHBondContact O-CA 3.44Å; R96-K129 HydrophobicContact CB-CG 4.14Å; R96-K129 HydrophobicContact CG-CB 4.04Å; R96-K129 HydrophobicContact CG-CD 3.94Å; R96-K129 HydrophobicContact CG-CG 3.68Å; V127-K129 HydrophobicContact CG1-CG 4.35Å; K129-E515 IonicContact NZ-OE1 2.74Å; K129-E515 PolarHBondContact NZ-OE1 3.44Å; K129-E515 IonicContact NZ-OE2 2.97Å
130	I	94.6	Very high	93.8	Very high	31 Å²	31	61.5 Å²	61.5	16%	0.159	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	157.7	174	59.2	172.2	0	0	0	110.3	G94 S95 Y147 L151	G94-I130 CarbonylContact C-O 3.52Å; G94-I130 WeakPolarHBondContact CA-O 3.35Å; S95-I130 PolarHBondContact N-O 2.66Å; S95-I130 VanDerWaalsContact N-O 3.1Å; S95-I130 PolarHBondContact O-N 3Å; I130-Y147 HydrophobicContact CD1-CD1 4.42Å; I130-Y147 HydrophobicContact CD1-CD2 4.07Å; I130-Y147 HydrophobicContact CD1-CE1 3.97Å; I130-Y147 HydrophobicContact CD1-CE2 3.59Å; I130-Y147 HydrophobicContact CD1-CG 4.45Å; I130-Y147 VanDerWaalsContact CD1-CZ 3.5Å; I130-Y147 WeakPolarHBondContact CD1-O 3.42Å; I130-Y147 HydrophobicContact CG1-CE2 4.16Å; I130-L151 HydrophobicContact CD1-CD1 3.89Å; I130-L151 HydrophobicContact CD1-CD2 4.43Å; I130-L151 HydrophobicContact CD1-CG 3.83Å; I130-L151 HydrophobicContact CG1-CD1 3.91Å; I130-L151 HydrophobicContact CG1-CD2 4.13Å; I130-L151 HydrophobicContact CG1-CG 4.01Å; I130-L151 HydrophobicContact CG2-CD2 3.88Å; I130-L151 HydrophobicContact CG2-CG 4.36Å
131	K	92.6	Very high	94	Very high	165 Å²	165	61.4 Å²	61.4	72%	0.717	34%	0.338	S	S	*	.	S	Bend	trans	-134.4	151.9	177	-66.5	-173.2	177.7	174.9	0	109
132	P	93.1	Very high	94.2	Very high	71 Å²	71	61.3 Å²	61.3	46%	0.461	33%	0.333	S	S	.	.	S	Bend	cis	-74.6	-170	-1.3	35.5	-38.3	0	0	0	112.2	T136 Y147	P132-T136 HydrophobicContact CB-CG2 3.9Å; P132-T136 HydrophobicContact CG-CG2 4.08Å; P132-T136 WeakPolarHBondContact CG-OG1 3.48Å; P132-Y147 WeakPolarHBondContact O-CE2 3.33Å; P132-Y147 PolarHBondContact O-OH 2.79Å
133	G	92.5	Very high	94.4	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.01	33%	0.328	C	S	.	.			trans	-79.7	153	174.9	0	0	0	0	0	113	G91 S135 T136	G91-G133 WeakPolarHBondContact O-CA 3.19Å; G133-S135 PolarHBondContact O-N 3.23Å; G133-T136 WeakPolarHBondContact O-CG2 3.25Å; G133-T136 PolarHBondContact O-N 3.1Å; G133-T136 PolarHBondContact O-OG1 3.41Å
134	I	96.5	Very high	94.8	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-57.1	-26.5	-173.4	-159.6	169.4	0	0	0	114	C90 T136 L137 A144 Y147 L148 M177 I188 L192	C90-I134 HydrophobicContact CB-CG2 3.78Å; I134-T136 PolarHBondContact O-N 3.4Å; I134-T136 VanDerWaalsContact O-N 3.07Å; I134-L137 HydrophobicContact CG1-CD1 4.12Å; I134-L137 WeakPolarHBondContact O-CB 3.36Å; I134-L137 PolarHBondContact O-N 3.2Å; I134-A144 HydrophobicContact CD1-CB 4.33Å; I134-Y147 HydrophobicContact CB-CD1 4.23Å; I134-Y147 HydrophobicContact CB-CE1 3.72Å; I134-Y147 HydrophobicContact CD1-CD1 4.2Å; I134-Y147 HydrophobicContact CD1-CE1 4.31Å; I134-Y147 HydrophobicContact CG1-CD1 3.86Å; I134-Y147 HydrophobicContact CG1-CE1 3.88Å; I134-L148 HydrophobicContact CD1-CD1 4.18Å; I134-L148 HydrophobicContact CD1-CD2 4.46Å; I134-L148 HydrophobicContact CD1-CG 4.27Å; I134-M177 HydrophobicContact CG2-CG 3.78Å; I134-M177 HydrophobicContact CG2-SD 3.9Å; I134-I188 HydrophobicContact CD1-CG2 3.9Å; I134-I188 HydrophobicContact CG1-CG2 4.1Å; I134-L192 HydrophobicContact CD1-CD1 4.12Å
135	S	95.4	Very high	95.2	Very high	22 Å²	22	53.4 Å²	53.4	15%	0.154	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-62.5	-16.1	178.7	57.5	0	0	0	0	113.7	G133 L137 A138 G176	G133-S135 PolarHBondContact O-N 3.23Å; S135-L137 PolarHBondContact O-N 3.03Å; S135-A138 WeakPolarHBondContact O-CB 3.36Å; S135-A138 PolarHBondContact O-N 3.13Å; S135-G176 VanDerWaalsContact CB-O 3.32Å; S135-G176 WeakPolarHBondContact CB-O 3.35Å
136	T	95.9	Very high	95.6	Very high	79 Å²	79	55.5 Å²	55.5	49%	0.485	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-68.1	-16.7	172.5	61.3	0	0	0	0	113.1	P132 G133 I134 A138	P132-T136 HydrophobicContact CB-CG2 3.9Å; P132-T136 HydrophobicContact CG-CG2 4.08Å; P132-T136 WeakPolarHBondContact CG-OG1 3.48Å; G133-T136 WeakPolarHBondContact O-CG2 3.25Å; G133-T136 PolarHBondContact O-N 3.1Å; G133-T136 PolarHBondContact O-OG1 3.41Å; I134-T136 PolarHBondContact O-N 3.4Å; I134-T136 VanDerWaalsContact O-N 3.07Å; T136-A138 PolarHBondContact O-N 2.97Å
137	L	96.9	Very high	95.8	Very high	22 Å²	22	57.2 Å²	57.2	12%	0.115	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-84.2	10.5	177.5	-54.9	179.3	0	0	0	113	I134 S135 N139 T140 A144 Y147 I188	I134-L137 HydrophobicContact CG1-CD1 4.12Å; I134-L137 WeakPolarHBondContact O-CB 3.36Å; I134-L137 PolarHBondContact O-N 3.2Å; S135-L137 PolarHBondContact O-N 3.03Å; L137-N139 PolarHBondContact O-N 2.94Å; L137-T140 CarbonylContact O-C 3.41Å; L137-T140 PolarHBondContact O-N 3.41Å; L137-A144 HydrophobicContact CD1-CB 4.32Å; L137-Y147 HydrophobicContact CD1-CD1 4.15Å; L137-Y147 HydrophobicContact CD1-CG 3.92Å; L137-I188 HydrophobicContact CB-CD1 4.44Å
138	A	95.8	Very high	96	Very high	15 Å²	15	55.8 Å²	55.8	12%	0.124	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-46.6	-35.1	177.5	0	0	0	0	0	114.4	S135 T136 L180 Q184	S135-A138 WeakPolarHBondContact O-CB 3.36Å; S135-A138 PolarHBondContact O-N 3.13Å; T136-A138 PolarHBondContact O-N 2.97Å; A138-L180 HydrophobicContact CB-CD1 3.88Å; A138-L180 HydrophobicContact CB-CD2 3.76Å; A138-L180 HydrophobicContact CB-CG 4.46Å; A138-Q184 PolarHBondContact O-NE2 3.01Å
139	N	96.8	Very high	96.2	Very high	138 Å²	138	55.8 Å²	55.8	74%	0.738	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-100.6	-3.1	180	-61.7	-34.3	0	0	0	113.7	L137 Q184	L137-N139 PolarHBondContact O-N 2.94Å; N139-Q184 PolarHBondContact OD1-NE2 3.17Å
140	T	97.4	Very high	96.5	Very high	59 Å²	59	53.2 Å²	53.2	36%	0.362	29%	0.288	S	S	.	.			trans	-140.7	61.4	178.9	58.1	0	0	0	0	109.8	L137 T142 K143	L137-T140 CarbonylContact O-C 3.41Å; L137-T140 PolarHBondContact O-N 3.41Å; T140-T142 PolarHBondContact O-N 2.78Å; T140-K143 PolarHBondContact O-N 3.08Å
141	P	97.3	Very high	96.7	Very high	33 Å²	33	51.8 Å²	51.8	21%	0.214	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-62.9	-28.5	-172.8	24.6	-34.7	0	0	0	113.1	K143 A144 A187 I188 D191	P141-K143 PolarHBondContact O-N 2.83Å; P141-A144 WeakPolarHBondContact O-CB 3.25Å; P141-A144 PolarHBondContact O-N 3.47Å; P141-A144 VanDerWaalsContact O-N 3.1Å; P141-A187 HydrophobicContact CB-CB 3.71Å; P141-A187 HydrophobicContact CG-CB 3.86Å; P141-I188 HydrophobicContact CB-CG1 3.84Å; P141-D191 WeakPolarHBondContact O-CB 3.22Å
142	T	97.2	Very high	97	Very high	106 Å²	106	44 Å²	44	65%	0.65	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-68.8	8.6	179.4	66.6	0	0	0	0	115	T140 D191	T140-T142 PolarHBondContact O-N 2.78Å; T142-D191 VanDerWaalsContact CA-OD1 3.25Å; T142-D191 WeakPolarHBondContact CA-OD1 3.44Å
143	K	97.7	Very high	97.2	Very high	111 Å²	111	42.5 Å²	42.5	48%	0.483	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-117.1	9	177.5	-65.4	-170.1	174.4	-172.8	0	110.9	T140 P141 Y147	T140-K143 PolarHBondContact O-N 3.08Å; P141-K143 PolarHBondContact O-N 2.83Å; K143-Y147 VanDerWaalsContact O-CB 3.27Å; K143-Y147 WeakPolarHBondContact O-CB 3.34Å; K143-Y147 PolarHBondContact O-N 3.33Å
144	A	97.9	Very high	97.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-68.9	-41	-175.6	0	0	0	0	0	110.5	I134 L137 P141 Y147 L148 I188 D191 L192	I134-A144 HydrophobicContact CD1-CB 4.33Å; L137-A144 HydrophobicContact CD1-CB 4.32Å; P141-A144 WeakPolarHBondContact O-CB 3.25Å; P141-A144 PolarHBondContact O-N 3.47Å; P141-A144 VanDerWaalsContact O-N 3.1Å; A144-Y147 PolarHBondContact O-N 3.47Å; A144-L148 PolarHBondContact O-N 2.72Å; A144-L148 VanDerWaalsContact O-N 3.12Å; A144-I188 HydrophobicContact CB-CG2 3.88Å; A144-D191 WeakPolarHBondContact CA-OD2 3.23Å; A144-D191 HydrophobicContact CB-CB 4.21Å; A144-D191 WeakPolarHBondContact CB-OD2 3.34Å; A144-D191 PolarHBondContact N-OD2 3.13Å; A144-L192 HydrophobicContact CB-CD2 3.9Å; A144-L192 HydrophobicContact CB-CG 4.02Å
145	S	97.5	Very high	97.6	Very high	3 Å²	3	44.6 Å²	44.6	2%	0.021	25%	0.247	C	C	.	.	H	α-helix	trans	-64	-50.8	175.7	-56.9	0	0	0	0	111.7	Y147 L148 E149 D191 D195	S145-Y147 PolarHBondContact O-N 2.98Å; S145-L148 CarbonylContact O-C 3.53Å; S145-L148 PolarHBondContact O-N 3.39Å; S145-E149 PolarHBondContact O-N 3.27Å; S145-D191 PolarHBondContact N-OD2 3.01Å; S145-D191 PolarHBondContact OG-O 3.42Å; S145-D191 PolarHBondContact OG-OD2 3.3Å; S145-D195 WeakPolarHBondContact OG-CB 3.48Å
146	D	97.8	Very high	97.7	Very high	109 Å²	109	44.5 Å²	44.5	58%	0.583	25%	0.247	S	C	*	.	H	α-helix	trans	-52.9	-41.1	173.8	-72.1	-19	0	0	0	112.5
147	Y	98.3	Very high	97.8	Very high	36 Å²	36	44.6 Å²	44.6	14%	0.141	26%	0.256	C	S	.	.	H	α-helix	trans	-68.2	-34.1	179.4	163.2	-95.8	0	0	0	112.4	S95 I130 P132 I134 L137 K143 A144 S145 P150	S95-Y147 WeakPolarHBondContact CB-OH 3.17Å; S95-Y147 PolarHBondContact N-OH 2.75Å; S95-Y147 WeakPolarHBondContact OG-CE1 3.32Å; S95-Y147 PolarHBondContact OG-OH 2.69Å; I130-Y147 HydrophobicContact CD1-CD1 4.42Å; I130-Y147 HydrophobicContact CD1-CD2 4.07Å; I130-Y147 HydrophobicContact CD1-CE1 3.97Å; I130-Y147 HydrophobicContact CD1-CE2 3.59Å; I130-Y147 HydrophobicContact CD1-CG 4.45Å; I130-Y147 VanDerWaalsContact CD1-CZ 3.5Å; I130-Y147 WeakPolarHBondContact CD1-O 3.42Å; I130-Y147 HydrophobicContact CG1-CE2 4.16Å; P132-Y147 WeakPolarHBondContact O-CE2 3.33Å; P132-Y147 PolarHBondContact O-OH 2.79Å; I134-Y147 HydrophobicContact CB-CD1 4.23Å; I134-Y147 HydrophobicContact CB-CE1 3.72Å; I134-Y147 HydrophobicContact CD1-CD1 4.2Å; I134-Y147 HydrophobicContact CD1-CE1 4.31Å; I134-Y147 HydrophobicContact CG1-CD1 3.86Å; I134-Y147 HydrophobicContact CG1-CE1 3.88Å; L137-Y147 HydrophobicContact CD1-CD1 4.15Å; L137-Y147 HydrophobicContact CD1-CG 3.92Å; K143-Y147 VanDerWaalsContact O-CB 3.27Å; K143-Y147 WeakPolarHBondContact O-CB 3.34Å; K143-Y147 PolarHBondContact O-N 3.33Å; A144-Y147 PolarHBondContact O-N 3.47Å; S145-Y147 PolarHBondContact O-N 2.98Å; Y147-P150 WeakPolarHBondContact O-CD 3.48Å
148	L	98.3	Very high	97.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-88.3	-16.6	178.8	-67.5	-170.2	0	0	0	114.1	V88 I134 A144 S145 P150 L151 L152 I171 L192	V88-L148 HydrophobicContact CG1-CD2 4.24Å; I134-L148 HydrophobicContact CD1-CD1 4.18Å; I134-L148 HydrophobicContact CD1-CD2 4.46Å; I134-L148 HydrophobicContact CD1-CG 4.27Å; A144-L148 PolarHBondContact O-N 2.72Å; A144-L148 VanDerWaalsContact O-N 3.12Å; S145-L148 CarbonylContact O-C 3.53Å; S145-L148 PolarHBondContact O-N 3.39Å; L148-P150 VanDerWaalsContact C-CD 3.43Å; L148-P150 VanDerWaalsContact C-N 3.3Å; L148-L151 HydrophobicContact CD2-CD1 4.1Å; L148-L151 WeakPolarHBondContact O-CA 3.42Å; L148-L151 WeakPolarHBondContact O-CB 3.43Å; L148-L151 PolarHBondContact O-N 3.06Å; L148-L152 HydrophobicContact CB-CD1 4.48Å; L148-L152 PolarHBondContact O-N 3.39Å; L148-I171 HydrophobicContact CD1-CD1 3.98Å; L148-I171 HydrophobicContact CD1-CG2 3.92Å; L148-L192 HydrophobicContact CD1-CD1 3.99Å; L148-L192 HydrophobicContact CD1-CD2 3.64Å; L148-L192 HydrophobicContact CD1-CG 4.48Å; L148-L192 HydrophobicContact CG-CD2 4.24Å
149	E	98.3	Very high	98	Very high	74 Å²	74	45.2 Å²	45.2	35%	0.346	26%	0.256	S	S	.	.	H	α-helix	trans	-45.8	-46.9	178.3	-176.2	-74.7	154.4	0	0	112.8	S145 L151 L152 S153	S145-E149 PolarHBondContact O-N 3.27Å; E149-L151 PolarHBondContact O-N 3.28Å; E149-L152 PolarHBondContact O-N 3.45Å; E149-L152 VanDerWaalsContact O-N 3.09Å; E149-S153 WeakPolarHBondContact O-CB 3.3Å; E149-S153 PolarHBondContact O-N 3.28Å; E149-S153 PolarHBondContact O-OG 3.19Å; E149-S153 WeakPolarHBondContact OE1-CB 3.28Å; E149-S153 PolarHBondContact OE1-OG 2.98Å
150	P	98.5	Very high	98.1	Very high	43 Å²	43	39.9 Å²	39.9	28%	0.279	23%	0.229	S	C	.	.	H	α-helix	trans	-65.1	-22.3	-176.4	-24.7	35.6	0	0	0	113.6	K128 Y147 L148 F154	K128-P150 WeakPolarHBondContact CD-O 3.48Å; K128-P150 WeakPolarHBondContact CE-O 3.47Å; K128-P150 PolarHBondContact NZ-O 3.47Å; Y147-P150 WeakPolarHBondContact O-CD 3.48Å; L148-P150 VanDerWaalsContact C-CD 3.43Å; L148-P150 VanDerWaalsContact C-N 3.3Å; P150-F154 WeakPolarHBondContact O-CB 3.48Å
151	L	98.7	Very high	98	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-83.7	-44.4	175.1	-64.3	-173.9	0	0	0	111.4	V88 V97 K128 I130 L148 E149 F154 A155	V88-L151 HydrophobicContact CG1-CD1 4.12Å; V97-L151 HydrophobicContact CB-CB 4.02Å; V97-L151 HydrophobicContact CB-CD1 4.5Å; V97-L151 HydrophobicContact CB-CD2 4.47Å; V97-L151 HydrophobicContact CG1-CB 3.99Å; V97-L151 HydrophobicContact CG1-CD2 4Å; V97-L151 HydrophobicContact CG1-CG 4.5Å; K128-L151 HydrophobicContact CB-CD2 3.94Å; K128-L151 HydrophobicContact CD-CD2 4.26Å; K128-L151 HydrophobicContact CG-CD2 3.85Å; K128-L151 WeakPolarHBondContact O-CD2 3.41Å; I130-L151 HydrophobicContact CD1-CD1 3.89Å; I130-L151 HydrophobicContact CD1-CD2 4.43Å; I130-L151 HydrophobicContact CD1-CG 3.83Å; I130-L151 HydrophobicContact CG1-CD1 3.91Å; I130-L151 HydrophobicContact CG1-CD2 4.13Å; I130-L151 HydrophobicContact CG1-CG 4.01Å; I130-L151 HydrophobicContact CG2-CD2 3.88Å; I130-L151 HydrophobicContact CG2-CG 4.36Å; L148-L151 HydrophobicContact CD2-CD1 4.1Å; L148-L151 WeakPolarHBondContact O-CA 3.42Å; L148-L151 WeakPolarHBondContact O-CB 3.43Å; L148-L151 PolarHBondContact O-N 3.06Å; E149-L151 PolarHBondContact O-N 3.28Å; L151-F154 WeakPolarHBondContact O-CB 3.11Å; L151-F154 PolarHBondContact O-N 2.84Å; L151-A155 PolarHBondContact O-N 2.9Å
152	L	98.6	Very high	98	Very high	1 Å²	1	49 Å²	49	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-69.2	-43.2	-178.5	-61.2	-176.7	0	0	0	111.4	V88 L148 E149 F154 A155 A156 L169 V196 F200	V88-L152 HydrophobicContact CG2-CD2 4.06Å; L148-L152 HydrophobicContact CB-CD1 4.48Å; L148-L152 PolarHBondContact O-N 3.39Å; E149-L152 PolarHBondContact O-N 3.45Å; E149-L152 VanDerWaalsContact O-N 3.09Å; L152-F154 VanDerWaalsContact C-N 3.28Å; L152-F154 PolarHBondContact O-N 3.44Å; L152-A155 PolarHBondContact O-N 3.13Å; L152-A155 VanDerWaalsContact O-N 3.14Å; L152-A156 WeakPolarHBondContact O-CB 3.46Å; L152-A156 PolarHBondContact O-N 2.76Å; L152-L169 HydrophobicContact CD2-CD1 3.87Å; L152-L169 HydrophobicContact CD2-CD2 3.84Å; L152-V196 HydrophobicContact CD1-CG1 4Å; L152-V196 HydrophobicContact CD1-CG2 3.84Å; L152-F200 HydrophobicContact CB-CD1 4.31Å; L152-F200 HydrophobicContact CB-CD2 4.14Å; L152-F200 HydrophobicContact CB-CE1 3.83Å; L152-F200 HydrophobicContact CB-CE2 3.64Å; L152-F200 HydrophobicContact CB-CG 4.46Å; L152-F200 HydrophobicContact CB-CZ 3.47Å; L152-F200 VanDerWaalsContact CB-CZ 3.47Å; L152-F200 HydrophobicContact CD1-CD2 3.98Å; L152-F200 HydrophobicContact CD1-CE2 3.82Å; L152-F200 HydrophobicContact CG-CE2 4.4Å
153	S	98.6	Very high	98	Very high	40 Å²	40	45.1 Å²	45.1	28%	0.28	25%	0.247	S	C	.	.	H	α-helix	trans	-61.2	-36.7	172.7	-70	0	0	0	0	112.2	E149 A156 A157	E149-S153 WeakPolarHBondContact O-CB 3.3Å; E149-S153 PolarHBondContact O-N 3.28Å; E149-S153 PolarHBondContact O-OG 3.19Å; E149-S153 WeakPolarHBondContact OE1-CB 3.28Å; E149-S153 PolarHBondContact OE1-OG 2.98Å; S153-A156 PolarHBondContact O-N 2.89Å; S153-A157 WeakPolarHBondContact O-CB 3.35Å; S153-A157 PolarHBondContact O-N 2.91Å
154	F	98.6	Very high	98.1	Very high	45 Å²	45	40.8 Å²	40.8	20%	0.197	23%	0.229	C	C	.	.	H	α-helix	trans	-63.5	-45.4	173.1	172	-95.5	0	0	0	111.8	V97 V126 K128 P150 L151 L152 A157 H158	V97-F154 HydrophobicContact CG1-CD1 3.82Å; V97-F154 HydrophobicContact CG1-CE1 4.37Å; V126-F154 HydrophobicContact CG1-CD1 4.4Å; V126-F154 HydrophobicContact CG1-CE1 3.51Å; V126-F154 HydrophobicContact CG1-CZ 3.84Å; K128-F154 HydrophobicContact CB-CB 4.49Å; K128-F154 HydrophobicContact CB-CD1 3.58Å; K128-F154 HydrophobicContact CB-CD2 4.29Å; K128-F154 HydrophobicContact CB-CE1 3.73Å; K128-F154 HydrophobicContact CB-CE2 4.41Å; K128-F154 HydrophobicContact CB-CG 3.87Å; K128-F154 HydrophobicContact CB-CZ 4.15Å; K128-F154 HydrophobicContact CD-CB 3.56Å; K128-F154 HydrophobicContact CD-CD1 4.16Å; K128-F154 HydrophobicContact CD-CD2 3.75Å; K128-F154 HydrophobicContact CD-CE2 4.46Å; K128-F154 HydrophobicContact CD-CG 3.56Å; K128-F154 HydrophobicContact CG-CG 4.37Å; P150-F154 WeakPolarHBondContact O-CB 3.48Å; L151-F154 WeakPolarHBondContact O-CB 3.11Å; L151-F154 PolarHBondContact O-N 2.84Å; L152-F154 VanDerWaalsContact C-N 3.28Å; L152-F154 PolarHBondContact O-N 3.44Å; F154-A157 PolarHBondContact O-N 2.89Å; F154-H158 AromaticContact CD2-CE1 3.64Å; F154-H158 AromaticContact CE2-CE1 3.24Å; F154-H158 WeakPolarHBondContact CE2-CE1 3.32Å; F154-H158 AromaticContact CE2-ND1 3.95Å; F154-H158 AromaticContact CZ-CE1 3.59Å; F154-H158 PolarHBondContact O-N 3.41Å; F154-H158 PolarHBondContact O-ND1 2.82Å
155	A	98.5	Very high	98	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-64.8	-43.7	176.8	0	0	0	0	0	112	I86 V97 V99 L151 L152 A157 H158 V159	I86-A155 HydrophobicContact CD1-CB 3.85Å; I86-A155 HydrophobicContact CG1-CB 4.3Å; I86-A155 HydrophobicContact CG2-CB 4.16Å; V97-A155 HydrophobicContact CG2-CB 4.11Å; V99-A155 HydrophobicContact CG2-CB 3.82Å; L151-A155 PolarHBondContact O-N 2.9Å; L152-A155 PolarHBondContact O-N 3.13Å; L152-A155 VanDerWaalsContact O-N 3.14Å; A155-A157 VanDerWaalsContact C-N 3.27Å; A155-A157 PolarHBondContact O-N 2.89Å; A155-H158 PolarHBondContact O-N 2.89Å; A155-H158 VanDerWaalsContact O-N 3.07Å; A155-V159 WeakPolarHBondContact O-CG2 3.43Å; A155-V159 PolarHBondContact O-N 2.88Å
156	A	98.3	Very high	97.9	Very high	21 Å²	21	52.6 Å²	52.6	17%	0.174	28%	0.281	C	S	.	.	H	α-helix	trans	-62.7	-30.7	178.1	0	0	0	0	0	113.5	L152 S153 H158 H164 F200 F202	L152-A156 WeakPolarHBondContact O-CB 3.46Å; L152-A156 PolarHBondContact O-N 2.76Å; S153-A156 PolarHBondContact O-N 2.89Å; A156-H158 VanDerWaalsContact C-N 3.32Å; A156-H164 PolarHBondContact O-CE1 2.72Å; A156-H164 PolarHBondContact O-NE2 3.1Å; A156-F200 HydrophobicContact CB-CD1 4.14Å; A156-F200 HydrophobicContact CB-CE1 4.23Å; A156-F202 HydrophobicContact CB-CE2 4.14Å; A156-F202 HydrophobicContact CB-CZ 3.84Å
157	A	97.9	Very high	97.9	Very high	81 Å²	81	47.4 Å²	47.4	67%	0.669	25%	0.254	S	S	*	.	H	α-helix	trans	-69.4	-27.9	174.4	0	0	0	0	0	113.3	S153 F154 A155	S153-A157 WeakPolarHBondContact O-CB 3.35Å; S153-A157 PolarHBondContact O-N 2.91Å; F154-A157 PolarHBondContact O-N 2.89Å; A155-A157 VanDerWaalsContact C-N 3.27Å; A155-A157 PolarHBondContact O-N 2.89Å
158	H	98.1	Very high	97.9	Very high	46 Å²	46	46.3 Å²	46.3	21%	0.213	25%	0.251	C	S	.	.	H	α-helix	trans	-93.4	-40.8	-178.7	-69.2	79	0	0	0	112.6	M118 V126 F154 A155 A156	M118-H158 HydrophobicContact CE-CB 4.07Å; M118-H158 WeakPolarHBondContact CE-O 3.02Å; M118-H158 HydrophobicContact SD-CB 4.23Å; V126-H158 HydrophobicContact CG1-CB 3.89Å; F154-H158 AromaticContact CD2-CE1 3.64Å; F154-H158 AromaticContact CE2-CE1 3.24Å; F154-H158 WeakPolarHBondContact CE2-CE1 3.32Å; F154-H158 AromaticContact CE2-ND1 3.95Å; F154-H158 AromaticContact CZ-CE1 3.59Å; F154-H158 PolarHBondContact O-N 3.41Å; F154-H158 PolarHBondContact O-ND1 2.82Å; A155-H158 PolarHBondContact O-N 2.89Å; A155-H158 VanDerWaalsContact O-N 3.07Å; A156-H158 VanDerWaalsContact C-N 3.32Å
159	V	98.1	Very high	97.9	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.018	25%	0.251	C	S	.	.	S	Bend	trans	-71.6	132.1	178.8	-178.1	0	0	0	0	109.6	Y84 I86 V99 A155 K161 K163 H164	Y84-V159 HydrophobicContact CD1-CG1 4.43Å; Y84-V159 HydrophobicContact CD1-CG2 4.44Å; Y84-V159 HydrophobicContact CD2-CG1 4.14Å; Y84-V159 HydrophobicContact CG-CG1 3.95Å; I86-V159 HydrophobicContact CD1-CG2 4.34Å; V99-V159 HydrophobicContact CG1-CG2 3.74Å; A155-V159 WeakPolarHBondContact O-CG2 3.43Å; A155-V159 PolarHBondContact O-N 2.88Å; V159-K161 PolarHBondContact O-N 2.84Å; V159-K163 HydrophobicContact CG1-CB 4.17Å; V159-H164 PolarHBondContact O-CD2 2.83Å; V159-H164 PolarHBondContact O-NE2 2.81Å
160	P	97.8	Very high	97.9	Very high	26 Å²	26	43.8 Å²	43.8	17%	0.169	24%	0.238	C	C	.	.			trans	-55.7	134.6	176.6	-27.1	35.4	0	0	0	112.3	I77 Y84 S162 K163 H164	I77-P160 HydrophobicContact CB-CG 4Å; I77-P160 HydrophobicContact CG2-CG 4.4Å; Y84-P160 HydrophobicContact CE2-CG 4.23Å; P160-S162 PolarHBondContact O-N 2.86Å; P160-S162 VanDerWaalsContact O-N 3.13Å; P160-K163 HydrophobicContact CB-CB 4.4Å; P160-K163 HydrophobicContact CB-CG 4.36Å; P160-K163 WeakPolarHBondContact O-CA 3.3Å; P160-K163 WeakPolarHBondContact O-CB 2.85Å; P160-K163 PolarHBondContact O-N 3.36Å; P160-H164 PolarHBondContact O-CD2 2.99Å; P160-H164 PolarHBondContact O-N 2.95Å
161	K	96.9	Very high	97.9	Very high	181 Å²	181	41.7 Å²	41.7	79%	0.787	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-53.7	-37.2	-178.9	-73	-170.6	175.5	-173.5	0	113.6	V159 K163 H164	V159-K161 PolarHBondContact O-N 2.84Å; K161-K163 PolarHBondContact O-N 3.42Å; K161-H164 PolarHBondContact O-N 3.13Å
162	S	96.9	Very high	97.9	Very high	103 Å²	103	41.8 Å²	41.8	72%	0.72	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-63.1	-22	176.8	52.8	0	0	0	0	113.4	P160	P160-S162 PolarHBondContact O-N 2.86Å; P160-S162 VanDerWaalsContact O-N 3.13Å
163	K	97.8	Very high	97.8	Very high	24 Å²	24	41.7 Å²	41.7	10%	0.104	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-98.5	-8.8	-177.8	-71.1	-73.6	-177.3	177.3	0	113.9	S80 L82 Y84 V159 P160 K161 K165 E166 T167	S80-K163 WeakPolarHBondContact O-CE 3.29Å; S80-K163 PolarHBondContact O-NZ 3.4Å; L82-K163 WeakPolarHBondContact O-CE 3.47Å; L82-K163 PolarHBondContact O-NZ 2.62Å; Y84-K163 HydrophobicContact CD2-CB 3.93Å; Y84-K163 HydrophobicContact CD2-CD 4.44Å; Y84-K163 HydrophobicContact CD2-CG 4.06Å; Y84-K163 HydrophobicContact CE2-CB 4.18Å; Y84-K163 HydrophobicContact CE2-CD 4.44Å; Y84-K163 HydrophobicContact CE2-CG 3.89Å; V159-K163 HydrophobicContact CG1-CB 4.17Å; P160-K163 HydrophobicContact CB-CB 4.4Å; P160-K163 HydrophobicContact CB-CG 4.36Å; P160-K163 WeakPolarHBondContact O-CA 3.3Å; P160-K163 WeakPolarHBondContact O-CB 2.85Å; P160-K163 PolarHBondContact O-N 3.36Å; K161-K163 PolarHBondContact O-N 3.42Å; K163-K165 VanDerWaalsContact C-N 3.33Å; K163-K165 PolarHBondContact O-N 2.88Å; K163-E166 WeakPolarHBondContact CD-OE2 3.49Å; K163-E166 IonicContact NZ-OE2 2.85Å; K163-E166 PolarHBondContact NZ-OE2 2.81Å; K163-E166 PolarHBondContact O-N 2.89Å; K163-T167 WeakPolarHBondContact O-CB 3.46Å; K163-T167 PolarHBondContact O-N 2.81Å; K163-T167 VanDerWaalsContact O-N 3.09Å; K163-T167 PolarHBondContact O-OG1 3.32Å
164	H	98.1	Very high	97.6	Very high	20 Å²	20	40.1 Å²	40.1	9%	0.093	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-54.1	-49.1	-177.9	-71.1	-172.1	0	0	0	111.5	A156 V159 P160 K161 E166 T167 D201 F202	A156-H164 PolarHBondContact O-CE1 2.72Å; A156-H164 PolarHBondContact O-NE2 3.1Å; V159-H164 PolarHBondContact O-CD2 2.83Å; V159-H164 PolarHBondContact O-NE2 2.81Å; P160-H164 PolarHBondContact O-CD2 2.99Å; P160-H164 PolarHBondContact O-N 2.95Å; K161-H164 PolarHBondContact O-N 3.13Å; H164-E166 PolarHBondContact O-N 3.37Å; H164-E166 VanDerWaalsContact O-N 3.1Å; H164-T167 WeakPolarHBondContact O-CB 3.44Å; H164-T167 PolarHBondContact O-N 3.3Å; H164-D201 CarbonylContact C-O 3.56Å; H164-D201 HydrophobicContact CB-CB 3.86Å; H164-F202 HydrophobicContact CB-CD1 4.21Å; H164-F202 HydrophobicContact CB-CE1 4.2Å; H164-F202 AromaticContact CD2-CE1 3.83Å; H164-F202 AromaticContact CG-CE1 3.95Å; H164-F202 WeakPolarHBondContact O-CA 3.44Å
165	K	97.3	Very high	97.3	Very high	141 Å²	141	38.1 Å²	38.1	61%	0.613	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-65.8	-12.8	-179.9	-62.7	-176	179	-177.2	0	115.5	K163 D201 L203	K163-K165 VanDerWaalsContact C-N 3.33Å; K163-K165 PolarHBondContact O-N 2.88Å; K165-D201 VanDerWaalsContact CA-O 3.27Å; K165-D201 WeakPolarHBondContact CA-O 3.39Å; K165-D201 HydrophobicContact CG-CB 4.12Å; K165-D201 PolarHBondContact N-O 3.16Å; K165-L203 WeakPolarHBondContact O-CD2 3.45Å; K165-L203 WeakPolarHBondContact O-CG 3.46Å
166	E	95.6	Very high	97	Very high	110 Å²	110	38.2 Å²	38.2	51%	0.514	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-105.6	-8.9	177	-64.4	176.7	178.6	0	0	112	K163 H164 P168 L203	K163-E166 WeakPolarHBondContact CD-OE2 3.49Å; K163-E166 IonicContact NZ-OE2 2.85Å; K163-E166 PolarHBondContact NZ-OE2 2.81Å; K163-E166 PolarHBondContact O-N 2.89Å; H164-E166 PolarHBondContact O-N 3.37Å; H164-E166 VanDerWaalsContact O-N 3.1Å; E166-P168 VanDerWaalsContact O-CD 3.27Å; E166-P168 WeakPolarHBondContact O-CD 3.16Å; E166-L203 WeakPolarHBondContact O-CD1 3.49Å
167	T	97.8	Very high	96.8	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.006	20%	0.198	C	C	.	.			trans	-91.9	111.1	-172.2	-62.3	0	0	0	0	110	I86 K163 H164 F202 L203	I86-T167 HydrophobicContact CD1-CG2 3.76Å; I86-T167 HydrophobicContact CG1-CG2 3.83Å; K163-T167 WeakPolarHBondContact O-CB 3.46Å; K163-T167 PolarHBondContact O-N 2.81Å; K163-T167 VanDerWaalsContact O-N 3.09Å; K163-T167 PolarHBondContact O-OG1 3.32Å; H164-T167 WeakPolarHBondContact O-CB 3.44Å; H164-T167 PolarHBondContact O-N 3.3Å; T167-F202 HydrophobicContact CG2-CD1 4.03Å; T167-F202 HydrophobicContact CG2-CE1 4.23Å; T167-L203 PolarHBondContact O-N 3.03Å
168	P	97.8	Very high	96.7	Very high	13 Å²	13	35.9 Å²	35.9	8%	0.084	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-65.9	133.9	171.8	28.7	-36.2	0	0	0	111.6	Y84 I86 E166 Y170	Y84-P168 WeakPolarHBondContact O-CD 3.49Å; I86-P168 PolarHBondContact N-O 3.07Å; E166-P168 VanDerWaalsContact O-CD 3.27Å; E166-P168 WeakPolarHBondContact O-CD 3.16Å; P168-Y170 HydrophobicContact CB-CD2 4.44Å; P168-Y170 HydrophobicContact CB-CE2 3.68Å; P168-Y170 HydrophobicContact CG-CE2 4.15Å
169	L	98.5	Very high	96.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	124.8	170	168.9	62.6	0	0	0	108.3	I86 V88 L152 I171 V196 F202 L203 F204 H208	I86-L169 HydrophobicContact CB-CD1 3.85Å; I86-L169 HydrophobicContact CG2-CD1 3.52Å; I86-L169 WeakPolarHBondContact O-CA 3.31Å; V88-L169 HydrophobicContact CG2-CD1 4.05Å; L152-L169 HydrophobicContact CD2-CD1 3.87Å; L152-L169 HydrophobicContact CD2-CD2 3.84Å; L169-I171 HydrophobicContact CD1-CG1 4.31Å; L169-I171 HydrophobicContact CD2-CD1 4.49Å; L169-I171 HydrophobicContact CG-CG1 4.3Å; L169-V196 HydrophobicContact CD2-CG1 3.75Å; L169-F202 HydrophobicContact CB-CB 3.87Å; L169-F202 HydrophobicContact CB-CG 4.4Å; L169-F202 HydrophobicContact CD2-CB 4.44Å; L169-F202 HydrophobicContact CD2-CD2 4.15Å; L169-L203 PolarHBondContact N-O 3.32Å; L169-F204 HydrophobicContact CB-CD2 4.19Å; L169-F204 HydrophobicContact CD2-CD2 3.99Å; L169-F204 HydrophobicContact CD2-CE2 4.46Å; L169-F204 HydrophobicContact CD2-CG 4.28Å; L169-F204 HydrophobicContact CG-CD2 3.93Å; L169-F204 HydrophobicContact CG-CE2 4.38Å; L169-F204 WeakPolarHBondContact O-CD2 3.25Å; L169-H208 VanDerWaalsContact O-CB 3.24Å; L169-H208 WeakPolarHBondContact O-CB 3.49Å
170	Y	98.5	Very high	96.4	Very high	20 Å²	20	38.9 Å²	38.9	8%	0.078	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	125.5	172.2	-60.8	-78.4	0	0	0	110.1	I86 V87 V88 P168 H208 I523 K526	I86-Y170 PolarHBondContact O-N 3.33Å; V87-Y170 CarbonylContact C-O 3.57Å; V87-Y170 WeakPolarHBondContact CA-O 3.41Å; V87-Y170 HydrophobicContact CG2-CD2 4.41Å; V88-Y170 PolarHBondContact N-O 3.39Å; P168-Y170 HydrophobicContact CB-CD2 4.44Å; P168-Y170 HydrophobicContact CB-CE2 3.68Å; P168-Y170 HydrophobicContact CG-CE2 4.15Å; Y170-H208 CarbonylContact C-O 3.4Å; Y170-H208 WeakPolarHBondContact CA-O 3.41Å; Y170-H208 HydrophobicContact CD1-CB 4.09Å; Y170-H208 AromaticContact CD1-CD2 3.76Å; Y170-H208 AromaticContact CE1-CD2 3.34Å; Y170-H208 WeakPolarHBondContact CE1-CD2 3.33Å; Y170-H208 AromaticContact CE1-NE2 3.81Å; Y170-I523 HydrophobicContact CD2-CD1 3.83Å; Y170-I523 HydrophobicContact CE2-CD1 3.62Å; Y170-K526 HydrophobicContact CD1-CD 4.2Å; Y170-K526 HydrophobicContact CD1-CG 4.49Å; Y170-K526 HydrophobicContact CE1-CB 4.12Å; Y170-K526 HydrophobicContact CE1-CD 3.85Å; Y170-K526 HydrophobicContact CE1-CG 4.18Å; Y170-K526 HydrophobicContact CE2-CB 4.05Å
171	I	98.5	Very high	96.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	107.8	173.3	-55.7	177	0	0	0	108.1	V88 L148 L169 L192 V196 F204 H208 A209 E210	V88-I171 HydrophobicContact CB-CB 4.47Å; V88-I171 HydrophobicContact CB-CG1 4.21Å; V88-I171 HydrophobicContact CB-CG2 4.31Å; V88-I171 HydrophobicContact CG1-CG2 4.46Å; V88-I171 HydrophobicContact CG2-CG1 4.24Å; L148-I171 HydrophobicContact CD1-CD1 3.98Å; L148-I171 HydrophobicContact CD1-CG2 3.92Å; L169-I171 HydrophobicContact CD1-CG1 4.31Å; L169-I171 HydrophobicContact CD2-CD1 4.49Å; L169-I171 HydrophobicContact CG-CG1 4.3Å; I171-L192 HydrophobicContact CD1-CD1 4.42Å; I171-L192 HydrophobicContact CG2-CD1 4.05Å; I171-V196 HydrophobicContact CD1-CG2 4.42Å; I171-F204 HydrophobicContact CB-CE2 4.47Å; I171-F204 HydrophobicContact CD1-CE2 3.84Å; I171-F204 HydrophobicContact CD1-CZ 3.73Å; I171-F204 HydrophobicContact CG1-CE2 3.94Å; I171-F204 HydrophobicContact CG1-CZ 4.3Å; I171-H208 PolarHBondContact N-O 3.06Å; I171-A209 WeakPolarHBondContact O-CA 3.44Å; I171-E210 PolarHBondContact O-N 3.2Å; I171-E210 VanDerWaalsContact O-N 3.07Å
172	L	97.9	Very high	96.3	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	109	-167.4	-58.7	-176.4	0	0	0	109.5	V87 V88 C90 E210 I212 W518 A522	V87-L172 HydrophobicContact CG1-CD1 3.99Å; V87-L172 HydrophobicContact CG1-CG 4.43Å; V88-L172 PolarHBondContact O-N 3.4Å; C90-L172 PolarHBondContact N-O 2.9Å; L172-E210 HydrophobicContact CD2-CG 3.44Å; L172-E210 VanDerWaalsContact CD2-CG 3.44Å; L172-E210 WeakPolarHBondContact CD2-OE1 3.38Å; L172-I212 HydrophobicContact CB-CG2 4.19Å; L172-I212 HydrophobicContact CD2-CG2 4.04Å; L172-I212 HydrophobicContact CG-CG2 4.5Å; L172-W518 HydrophobicContact CB-CH2 3.53Å; L172-W518 HydrophobicContact CB-CZ3 3.88Å; L172-W518 HydrophobicContact CD1-CH2 4.22Å; L172-W518 HydrophobicContact CD1-CZ3 3.7Å; L172-W518 HydrophobicContact CG-CZ3 4.45Å; L172-A522 HydrophobicContact CD1-CB 3.89Å
173	C	96.8	Very high	96.4	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	136.2	-176.6	-68.3	0	0	0	0	111.7	C90 M177 E210 V211 I212	C90-C173 HydrophobicContact CB-CB 4.02Å; C90-C173 WeakPolarHBondContact CB-SG 3.3Å; C173-M177 HydrophobicContact CB-CB 3.85Å; C173-M177 HydrophobicContact CB-CG 3.65Å; C173-E210 PolarHBondContact N-O 3.48Å; C173-V211 HydrophobicContact CB-CB 4.39Å; C173-V211 HydrophobicContact CB-CG2 3.98Å; C173-V211 CarbonylContact O-C 3.26Å; C173-V211 WeakPolarHBondContact O-CA 3.32Å; C173-I212 WeakPolarHBondContact O-CG1 3.42Å; C173-I212 PolarHBondContact O-N 3.03Å
174	T	94.1	Very high	96.4	Very high	7 Å²	7	41 Å²	41	4%	0.043	21%	0.208	C	C	.	.			trans	-109.5	-146.1	-173.8	63.3	0	0	0	0	112.5	C90 G91 G176 M177 R178 I212 E217 W518	C90-T174 PolarHBondContact O-N 3.33Å; C90-T174 VanDerWaalsContact O-N 3.13Å; C90-T174 PolarHBondContact O-OG1 2.97Å; G91-T174 WeakPolarHBondContact CA-OG1 3.3Å; T174-G176 PolarHBondContact O-N 2.78Å; T174-G176 VanDerWaalsContact O-N 3.09Å; T174-M177 PolarHBondContact O-N 3.08Å; T174-M177 VanDerWaalsContact O-N 3.14Å; T174-R178 PolarHBondContact O-N 3.33Å; T174-I212 HydrophobicContact CG2-CD1 4.12Å; T174-I212 HydrophobicContact CG2-CG1 4.2Å; T174-E217 HydrophobicContact CG2-CG 4.35Å; T174-W518 HydrophobicContact CG2-CH2 4.01Å; T174-W518 HydrophobicContact CG2-CZ2 3.44Å; T174-W518 VanDerWaalsContact CG2-CZ2 3.44Å
175	A	92.4	Very high	96.4	Very high	2 Å²	2	41.6 Å²	41.6	2%	0.017	21%	0.211	C	C	.	.	H	α-helix	trans	-54.6	-31.3	-171.4	0	0	0	0	0	114.9	M177 R178 L179 A268 S269 L319	A175-M177 PolarHBondContact O-N 2.85Å; A175-R178 PolarHBondContact O-N 3.17Å; A175-L179 WeakPolarHBondContact O-CG 3.28Å; A175-L179 PolarHBondContact O-N 2.86Å; A175-A268 HydrophobicContact CB-CB 3.83Å; A175-S269 WeakPolarHBondContact CB-OG 3.31Å; A175-L319 HydrophobicContact CB-CD1 3.82Å
176	G	91.2	Very high	96.4	Very high	3 Å²	3	37.5 Å²	37.5	3%	0.031	20%	0.204	C	C	.	.	H	α-helix	trans	-61.3	-43.8	178.8	0	0	0	0	0	112.5	S135 T174	S135-G176 VanDerWaalsContact CB-O 3.32Å; S135-G176 WeakPolarHBondContact CB-O 3.35Å; T174-G176 PolarHBondContact O-N 2.78Å; T174-G176 VanDerWaalsContact O-N 3.09Å
177	M	95.9	Very high	96.5	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-74.9	-35.2	177.3	-73.9	-69.8	-74	0	0	112	I134 C173 T174 A175 L179 L180 Q185 I188 V211	I134-M177 HydrophobicContact CG2-CG 3.78Å; I134-M177 HydrophobicContact CG2-SD 3.9Å; C173-M177 HydrophobicContact CB-CB 3.85Å; C173-M177 HydrophobicContact CB-CG 3.65Å; T174-M177 PolarHBondContact O-N 3.08Å; T174-M177 VanDerWaalsContact O-N 3.14Å; A175-M177 PolarHBondContact O-N 2.85Å; M177-L179 PolarHBondContact O-N 3.37Å; M177-L179 VanDerWaalsContact O-N 3.14Å; M177-L180 WeakPolarHBondContact O-CB 3.33Å; M177-L180 PolarHBondContact O-N 2.87Å; M177-L180 HydrophobicContact SD-CD1 3.66Å; M177-Q185 HydrophobicContact CE-CB 4.22Å; M177-Q185 HydrophobicContact CE-CG 4.38Å; M177-Q185 VanDerWaalsContact O-CG 3.24Å; M177-Q185 WeakPolarHBondContact O-CG 3.24Å; M177-Q185 PolarHBondContact O-NE2 3.03Å; M177-I188 HydrophobicContact CE-CB 3.79Å; M177-I188 HydrophobicContact CE-CD1 3.8Å; M177-I188 HydrophobicContact CE-CG1 4.37Å; M177-I188 HydrophobicContact CE-CG2 3.7Å; M177-I188 HydrophobicContact SD-CD1 3.74Å; M177-I188 HydrophobicContact SD-CG2 4.39Å; M177-V211 HydrophobicContact CB-CG1 4.07Å; M177-V211 HydrophobicContact CB-CG2 3.88Å; M177-V211 HydrophobicContact CE-CG2 4.32Å
178	R	95.8	Very high	96.5	Very high	52 Å²	52	33.9 Å²	33.9	20%	0.196	19%	0.193	C	C	.	.	H	α-helix	trans	-59.6	-23.1	175.3	-68.3	-174.1	-88.6	144.9	-6.1	113.7	T174 A175 L180 V211 I212 E217	T174-R178 PolarHBondContact O-N 3.33Å; A175-R178 PolarHBondContact O-N 3.17Å; R178-L180 VanDerWaalsContact C-N 3.34Å; R178-V211 HydrophobicContact CG-CG1 3.51Å; R178-I212 WeakPolarHBondContact CD-O 3.22Å; R178-I212 PolarHBondContact NE-O 2.89Å; R178-E217 IonicContact CZ-OE2 3.02Å; R178-E217 IonicContact NH2-OE2 2.68Å; R178-E217 PolarHBondContact NH2-OE2 3.03Å
179	L	92.6	Very high	96.6	Very high	83 Å²	83	34.6 Å²	34.6	44%	0.435	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-12.8	176.8	-70.9	168.4	0	0	0	113.4	A175 M177 A268 L319 M325	A175-L179 WeakPolarHBondContact O-CG 3.28Å; A175-L179 PolarHBondContact O-N 2.86Å; M177-L179 PolarHBondContact O-N 3.37Å; M177-L179 VanDerWaalsContact O-N 3.14Å; L179-A268 HydrophobicContact CD1-CB 4.29Å; L179-L319 HydrophobicContact CD2-CD1 4.22Å; L179-L319 HydrophobicContact CD2-CD2 3.78Å; L179-L319 HydrophobicContact CD2-CG 3.95Å; L179-L319 HydrophobicContact CG-CD1 4.28Å; L179-L319 HydrophobicContact CG-CD2 4.42Å; L179-M325 HydrophobicContact CD1-SD 4.44Å
180	L	95.6	Very high	96.5	Very high	30 Å²	30	39.3 Å²	39.3	16%	0.157	22%	0.218	C	C	.	.	S	Bend	trans	-84.7	154.3	178.4	-58.4	-176.5	0	0	0	111.3	A138 M177 R178 Q184 Q185 I188	A138-L180 HydrophobicContact CB-CD1 3.88Å; A138-L180 HydrophobicContact CB-CD2 3.76Å; A138-L180 HydrophobicContact CB-CG 4.46Å; M177-L180 WeakPolarHBondContact O-CB 3.33Å; M177-L180 PolarHBondContact O-N 2.87Å; M177-L180 HydrophobicContact SD-CD1 3.66Å; R178-L180 VanDerWaalsContact C-N 3.34Å; L180-Q184 HydrophobicContact CB-CB 4.35Å; L180-Q185 HydrophobicContact CB-CG 3.96Å; L180-Q185 PolarHBondContact O-NE2 3.19Å; L180-I188 HydrophobicContact CD1-CD1 4.03Å
181	P	97.3	Very high	96.5	Very high	73 Å²	73	39.3 Å²	39.3	47%	0.474	22%	0.219	S	C	.	.			trans	-52.5	142.5	163	-23.9	32.7	0	0	0	112.4	S183 Q184 Q185	P181-S183 PolarHBondContact O-N 3.28Å; P181-S183 VanDerWaalsContact O-N 3.16Å; P181-Q184 HydrophobicContact CB-CG 4.49Å; P181-Q184 VanDerWaalsContact CD-OE1 3.27Å; P181-Q184 PolarHBondContact O-N 3.36Å; P181-Q185 PolarHBondContact O-N 3.46Å
182	E	96.5	Very high	96.5	Very high	167 Å²	167	39.3 Å²	39.3	78%	0.78	22%	0.219	S	C	*	.	H	α-helix	trans	-55.8	-35.3	-178.2	-69.3	-176	172.9	0	0	113.3	Q184 Q185 A186	E182-Q184 VanDerWaalsContact C-N 3.33Å; E182-Q184 PolarHBondContact O-N 3.15Å; E182-Q185 PolarHBondContact O-N 3.44Å; E182-A186 WeakPolarHBondContact O-CB 3.43Å; E182-A186 PolarHBondContact O-N 2.95Å
183	S	97.6	Very high	96.5	Very high	89 Å²	89	40 Å²	40	62%	0.622	22%	0.223	S	C	*	.	H	α-helix	trans	-62.7	-38.4	176.3	55.7	0	0	0	0	112.8	P181 A187	P181-S183 PolarHBondContact O-N 3.28Å; P181-S183 VanDerWaalsContact O-N 3.16Å; S183-A187 WeakPolarHBondContact O-CB 3.28Å; S183-A187 PolarHBondContact O-N 2.96Å
184	Q	98	Very high	96.5	Very high	49 Å²	49	45 Å²	45	23%	0.229	25%	0.248	C	C	.	.	H	α-helix	trans	-73.6	-37.3	176.2	-67.5	-176.1	-22.6	0	0	111.2	A138 N139 L180 P181 E182 A187 I188	A138-Q184 PolarHBondContact O-NE2 3.01Å; N139-Q184 PolarHBondContact OD1-NE2 3.17Å; L180-Q184 HydrophobicContact CB-CB 4.35Å; P181-Q184 HydrophobicContact CB-CG 4.49Å; P181-Q184 VanDerWaalsContact CD-OE1 3.27Å; P181-Q184 PolarHBondContact O-N 3.36Å; E182-Q184 VanDerWaalsContact C-N 3.33Å; E182-Q184 PolarHBondContact O-N 3.15Å; Q184-A187 PolarHBondContact O-N 3.18Å; Q184-I188 WeakPolarHBondContact O-CG1 3.45Å; Q184-I188 PolarHBondContact O-N 2.96Å; Q184-I188 VanDerWaalsContact O-N 3.16Å
185	Q	98.1	Very high	96.7	Very high	33 Å²	33	47.3 Å²	47.3	15%	0.154	26%	0.26	C	S	.	.	H	α-helix	trans	-59.4	-50.1	173.1	-63	-179.1	41.5	0	0	110.9	M177 L180 P181 E182 A187 I188 L189 V211	M177-Q185 HydrophobicContact CE-CB 4.22Å; M177-Q185 HydrophobicContact CE-CG 4.38Å; M177-Q185 VanDerWaalsContact O-CG 3.24Å; M177-Q185 WeakPolarHBondContact O-CG 3.24Å; M177-Q185 PolarHBondContact O-NE2 3.03Å; L180-Q185 HydrophobicContact CB-CG 3.96Å; L180-Q185 PolarHBondContact O-NE2 3.19Å; P181-Q185 PolarHBondContact O-N 3.46Å; E182-Q185 PolarHBondContact O-N 3.44Å; Q185-A187 PolarHBondContact O-N 2.8Å; Q185-I188 PolarHBondContact O-N 3.2Å; Q185-L189 WeakPolarHBondContact O-CG 3.35Å; Q185-L189 PolarHBondContact O-N 3.41Å; Q185-L189 VanDerWaalsContact O-N 3.07Å; Q185-V211 HydrophobicContact CB-CG2 4.32Å; Q185-V211 HydrophobicContact CG-CG2 4.49Å
186	A	97.8	Very high	96.9	Very high	55 Å²	55	47.4 Å²	47.4	46%	0.455	26%	0.26	S	S	.	.	H	α-helix	trans	-61.1	-44.2	-180	0	0	0	0	0	112.1	E182 I188 L189 E190	E182-A186 WeakPolarHBondContact O-CB 3.43Å; E182-A186 PolarHBondContact O-N 2.95Å; A186-I188 PolarHBondContact O-N 2.72Å; A186-L189 PolarHBondContact O-N 2.95Å; A186-E190 VanDerWaalsContact O-CB 3.3Å; A186-E190 WeakPolarHBondContact O-CB 3.39Å; A186-E190 PolarHBondContact O-N 3.15Å
187	A	98.2	Very high	97.2	Very high	35 Å²	35	50.1 Å²	50.1	29%	0.289	28%	0.278	S	S	.	.	H	α-helix	trans	-62	-41.6	179.6	0	0	0	0	0	112.8	P141 S183 Q184 Q185 E190 D191	P141-A187 HydrophobicContact CB-CB 3.71Å; P141-A187 HydrophobicContact CG-CB 3.86Å; S183-A187 WeakPolarHBondContact O-CB 3.28Å; S183-A187 PolarHBondContact O-N 2.96Å; Q184-A187 PolarHBondContact O-N 3.18Å; Q185-A187 PolarHBondContact O-N 2.8Å; A187-E190 PolarHBondContact O-N 2.96Å; A187-D191 PolarHBondContact O-N 3.18Å
188	I	98.4	Very high	97.3	Very high	0 Å²	0	57 Å²	57	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-65.1	-44.6	175.8	-70.7	170.2	0	0	0	110.8	I134 L137 P141 A144 M177 L180 Q184 Q185 A186 E190 L192	I134-I188 HydrophobicContact CD1-CG2 3.9Å; I134-I188 HydrophobicContact CG1-CG2 4.1Å; L137-I188 HydrophobicContact CB-CD1 4.44Å; P141-I188 HydrophobicContact CB-CG1 3.84Å; A144-I188 HydrophobicContact CB-CG2 3.88Å; M177-I188 HydrophobicContact CE-CB 3.79Å; M177-I188 HydrophobicContact CE-CD1 3.8Å; M177-I188 HydrophobicContact CE-CG1 4.37Å; M177-I188 HydrophobicContact CE-CG2 3.7Å; M177-I188 HydrophobicContact SD-CD1 3.74Å; M177-I188 HydrophobicContact SD-CG2 4.39Å; L180-I188 HydrophobicContact CD1-CD1 4.03Å; Q184-I188 WeakPolarHBondContact O-CG1 3.45Å; Q184-I188 PolarHBondContact O-N 2.96Å; Q184-I188 VanDerWaalsContact O-N 3.16Å; Q185-I188 PolarHBondContact O-N 3.2Å; A186-I188 PolarHBondContact O-N 2.72Å; I188-E190 VanDerWaalsContact C-N 3.33Å; I188-L192 WeakPolarHBondContact O-CG 3.36Å; I188-L192 PolarHBondContact O-N 2.89Å
189	L	98.2	Very high	97.3	Very high	28 Å²	28	59.7 Å²	59.7	15%	0.147	33%	0.328	C	S	.	.	H	α-helix	trans	-67.6	-34.5	179.6	-67.5	-176.8	0	0	0	112.2	Q185 A186 L192 V193 A209 V211	Q185-L189 WeakPolarHBondContact O-CG 3.35Å; Q185-L189 PolarHBondContact O-N 3.41Å; Q185-L189 VanDerWaalsContact O-N 3.07Å; A186-L189 PolarHBondContact O-N 2.95Å; L189-L192 HydrophobicContact CD2-CD1 4.48Å; L189-L192 PolarHBondContact O-N 3.31Å; L189-V193 WeakPolarHBondContact O-CB 3.38Å; L189-V193 VanDerWaalsContact O-CG2 3.23Å; L189-V193 WeakPolarHBondContact O-CG2 3.47Å; L189-V193 PolarHBondContact O-N 2.84Å; L189-A209 HydrophobicContact CD2-CB 4.31Å; L189-V211 HydrophobicContact CD1-CG2 4.06Å
190	E	97.9	Very high	97.5	Very high	98 Å²	98	56.8 Å²	56.8	46%	0.458	31%	0.312	S	S	.	.	H	α-helix	trans	-65.9	-42.5	179.1	-176.5	155.6	-123.3	0	0	112.1	A186 A187 I188 L192 V193 M194 R206	A186-E190 VanDerWaalsContact O-CB 3.3Å; A186-E190 WeakPolarHBondContact O-CB 3.39Å; A186-E190 PolarHBondContact O-N 3.15Å; A187-E190 PolarHBondContact O-N 2.96Å; I188-E190 VanDerWaalsContact C-N 3.33Å; E190-L192 VanDerWaalsContact C-N 3.33Å; E190-L192 PolarHBondContact O-N 3.32Å; E190-V193 PolarHBondContact O-N 3.15Å; E190-M194 HydrophobicContact CG-CG 4.48Å; E190-M194 WeakPolarHBondContact O-CG 3.44Å; E190-M194 PolarHBondContact O-N 3.01Å; E190-R206 IonicContact OE1-NH2 3.56Å
191	D	98.3	Very high	97.6	Very high	21 Å²	21	60 Å²	60	11%	0.112	33%	0.329	C	S	.	.	H	α-helix	trans	-53.1	-50.9	172.2	-170.5	68.5	0	0	0	111.3	P141 T142 A144 S145 A187 V193 M194 D195	P141-D191 WeakPolarHBondContact O-CB 3.22Å; T142-D191 VanDerWaalsContact CA-OD1 3.25Å; T142-D191 WeakPolarHBondContact CA-OD1 3.44Å; A144-D191 WeakPolarHBondContact CA-OD2 3.23Å; A144-D191 HydrophobicContact CB-CB 4.21Å; A144-D191 WeakPolarHBondContact CB-OD2 3.34Å; A144-D191 PolarHBondContact N-OD2 3.13Å; S145-D191 PolarHBondContact N-OD2 3.01Å; S145-D191 PolarHBondContact OG-O 3.42Å; S145-D191 PolarHBondContact OG-OD2 3.3Å; A187-D191 PolarHBondContact O-N 3.18Å; D191-V193 PolarHBondContact O-N 3.18Å; D191-M194 PolarHBondContact O-N 3.18Å; D191-D195 PolarHBondContact O-N 3.44Å
192	L	98.2	Very high	97.7	Very high	0 Å²	0	57 Å²	57	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-60.4	-44.8	178	-63.9	176.8	0	0	0	112.4	I134 A144 L148 I171 I188 L189 E190 M194 V196 F204	I134-L192 HydrophobicContact CD1-CD1 4.12Å; A144-L192 HydrophobicContact CB-CD2 3.9Å; A144-L192 HydrophobicContact CB-CG 4.02Å; L148-L192 HydrophobicContact CD1-CD1 3.99Å; L148-L192 HydrophobicContact CD1-CD2 3.64Å; L148-L192 HydrophobicContact CD1-CG 4.48Å; L148-L192 HydrophobicContact CG-CD2 4.24Å; I171-L192 HydrophobicContact CD1-CD1 4.42Å; I171-L192 HydrophobicContact CG2-CD1 4.05Å; I188-L192 WeakPolarHBondContact O-CG 3.36Å; I188-L192 PolarHBondContact O-N 2.89Å; L189-L192 HydrophobicContact CD2-CD1 4.48Å; L189-L192 PolarHBondContact O-N 3.31Å; E190-L192 VanDerWaalsContact C-N 3.33Å; E190-L192 PolarHBondContact O-N 3.32Å; L192-M194 VanDerWaalsContact C-N 3.26Å; L192-M194 PolarHBondContact O-N 3.07Å; L192-V196 HydrophobicContact CD2-CG2 4.46Å; L192-V196 VanDerWaalsContact O-CB 3.24Å; L192-V196 WeakPolarHBondContact O-CB 3.34Å; L192-V196 WeakPolarHBondContact O-CG2 3.35Å; L192-V196 PolarHBondContact O-N 3.22Å; L192-V196 VanDerWaalsContact O-N 3.15Å; L192-F204 WeakPolarHBondContact O-CE1 3.34Å
193	V	97.8	Very high	97.7	Very high	14 Å²	14	53.1 Å²	53.1	9%	0.085	29%	0.293	C	S	.	.	H	α-helix	trans	-67.3	-27.7	-177.9	172.2	0	0	0	0	112.2	L189 E190 D191 P197 R206 A209	L189-V193 WeakPolarHBondContact O-CB 3.38Å; L189-V193 VanDerWaalsContact O-CG2 3.23Å; L189-V193 WeakPolarHBondContact O-CG2 3.47Å; L189-V193 PolarHBondContact O-N 2.84Å; E190-V193 PolarHBondContact O-N 3.15Å; D191-V193 PolarHBondContact O-N 3.18Å; V193-P197 WeakPolarHBondContact O-CD 3.28Å; V193-R206 HydrophobicContact CG1-CB 3.99Å; V193-R206 HydrophobicContact CG1-CG 4.46Å; V193-R206 HydrophobicContact CG2-CB 4.48Å; V193-A209 HydrophobicContact CG2-CB 3.67Å
194	M	97.3	Very high	97.7	Very high	107 Å²	107	50 Å²	50	53%	0.527	27%	0.269	S	S	.	.	H	α-helix	trans	-82.5	-45.9	177.8	-67.4	-68	82.4	0	0	112.8	E190 D191 L192	E190-M194 HydrophobicContact CG-CG 4.48Å; E190-M194 WeakPolarHBondContact O-CG 3.44Å; E190-M194 PolarHBondContact O-N 3.01Å; D191-M194 PolarHBondContact O-N 3.18Å; L192-M194 VanDerWaalsContact C-N 3.26Å; L192-M194 PolarHBondContact O-N 3.07Å
195	D	97.5	Very high	97.4	Very high	55 Å²	55	50 Å²	50	29%	0.294	27%	0.273	S	S	.	.	H	α-helix	trans	-91.6	-36.3	-167.6	-67.2	-10.3	0	0	0	113.4	S145 D191 L198 E199	S145-D195 WeakPolarHBondContact OG-CB 3.48Å; D191-D195 PolarHBondContact O-N 3.44Å; D195-L198 WeakPolarHBondContact O-CB 3.31Å; D195-L198 PolarHBondContact O-N 3.14Å; D195-E199 PolarHBondContact O-N 3.24Å
196	V	97.6	Very high	97.3	Very high	3 Å²	3	56 Å²	56	2%	0.018	30%	0.295	C	S	.	.	H	α-helix	trans	-56.4	-43.4	-176.9	172.3	0	0	0	0	112.9	L152 L169 I171 L192 L198 E199 F200 F204	L152-V196 HydrophobicContact CD1-CG1 4Å; L152-V196 HydrophobicContact CD1-CG2 3.84Å; L169-V196 HydrophobicContact CD2-CG1 3.75Å; I171-V196 HydrophobicContact CD1-CG2 4.42Å; L192-V196 HydrophobicContact CD2-CG2 4.46Å; L192-V196 VanDerWaalsContact O-CB 3.24Å; L192-V196 WeakPolarHBondContact O-CB 3.34Å; L192-V196 WeakPolarHBondContact O-CG2 3.35Å; L192-V196 PolarHBondContact O-N 3.22Å; L192-V196 VanDerWaalsContact O-N 3.15Å; V196-L198 PolarHBondContact O-N 3.16Å; V196-E199 PolarHBondContact O-N 3.11Å; V196-F200 HydrophobicContact CG1-CD2 4.31Å; V196-F200 PolarHBondContact O-N 3.06Å; V196-F204 HydrophobicContact CB-CD1 3.8Å; V196-F204 HydrophobicContact CB-CE1 3.69Å; V196-F204 HydrophobicContact CG1-CD1 3.66Å; V196-F204 HydrophobicContact CG1-CE1 3.91Å; V196-F204 HydrophobicContact CG1-CG 4.11Å; V196-F204 HydrophobicContact CG2-CE1 4.26Å
197	P	97.1	Very high	97.1	Very high	61 Å²	61	57.1 Å²	57.1	40%	0.396	30%	0.299	S	S	.	.	H	α-helix	trans	-66.2	-18.8	175.6	-20.2	32.5	0	0	0	115.3	V193 F204	V193-P197 WeakPolarHBondContact O-CD 3.28Å; P197-F204 HydrophobicContact CG-CD1 3.93Å
198	L	96.9	Very high	97	Very high	144 Å²	144	57.1 Å²	57.1	75%	0.754	29%	0.293	S	S	*	.	H	α-helix	trans	-80.4	-28	178	-58.4	176.3	0	0	0	111.4	D195 V196	D195-L198 WeakPolarHBondContact O-CB 3.31Å; D195-L198 PolarHBondContact O-N 3.14Å; V196-L198 PolarHBondContact O-N 3.16Å
199	E	96.1	Very high	96.9	Very high	109 Å²	109	57.5 Å²	57.5	51%	0.509	30%	0.296	S	S	.	.	H	α-helix	trans	-100.4	-30.6	-176.3	-64.5	-175.8	-175.4	0	0	113.5	D195 V196	D195-E199 PolarHBondContact O-N 3.24Å; V196-E199 PolarHBondContact O-N 3.11Å
200	F	97.8	Very high	96.9	Very high	21 Å²	21	58.3 Å²	58.3	9%	0.092	30%	0.3	C	S	.	.			trans	-128.5	136.4	-173.1	-58.5	-83.7	0	0	0	112.8	L152 A156 V196 F202	L152-F200 HydrophobicContact CB-CD1 4.31Å; L152-F200 HydrophobicContact CB-CD2 4.14Å; L152-F200 HydrophobicContact CB-CE1 3.83Å; L152-F200 HydrophobicContact CB-CE2 3.64Å; L152-F200 HydrophobicContact CB-CG 4.46Å; L152-F200 HydrophobicContact CB-CZ 3.47Å; L152-F200 VanDerWaalsContact CB-CZ 3.47Å; L152-F200 HydrophobicContact CD1-CD2 3.98Å; L152-F200 HydrophobicContact CD1-CE2 3.82Å; L152-F200 HydrophobicContact CG-CE2 4.4Å; A156-F200 HydrophobicContact CB-CD1 4.14Å; A156-F200 HydrophobicContact CB-CE1 4.23Å; V196-F200 HydrophobicContact CG1-CD2 4.31Å; V196-F200 PolarHBondContact O-N 3.06Å; F200-F202 HydrophobicContact CB-CD2 3.81Å; F200-F202 HydrophobicContact CB-CE2 4.27Å; F200-F202 HydrophobicContact CD1-CE2 4.15Å; F200-F202 HydrophobicContact CG-CD2 4.38Å; F200-F202 HydrophobicContact CG-CE2 4.45Å; F200-F202 PolarHBondContact O-N 3.18Å
201	D	97.6	Very high	96.8	Very high	97 Å²	97	55.2 Å²	55.2	52%	0.519	29%	0.287	S	S	.	.			trans	-79	9.4	-179.5	-87	-25.8	0	0	0	114.2	H164 K165	H164-D201 CarbonylContact C-O 3.56Å; H164-D201 HydrophobicContact CB-CB 3.86Å; K165-D201 VanDerWaalsContact CA-O 3.27Å; K165-D201 WeakPolarHBondContact CA-O 3.39Å; K165-D201 HydrophobicContact CG-CB 4.12Å; K165-D201 PolarHBondContact N-O 3.16Å
202	F	98.3	Very high	96.7	Very high	12 Å²	12	54.2 Å²	54.2	5%	0.053	28%	0.282	C	S	.	.	S	Bend	trans	-68.1	154.9	-178.6	-61.9	-51.4	0	0	0	112.7	I86 A156 H164 T167 L169 F200 F204	I86-F202 HydrophobicContact CD1-CD1 3.81Å; I86-F202 HydrophobicContact CD1-CD2 4.01Å; I86-F202 HydrophobicContact CD1-CE1 3.41Å; I86-F202 VanDerWaalsContact CD1-CE1 3.41Å; I86-F202 HydrophobicContact CD1-CE2 3.62Å; I86-F202 HydrophobicContact CD1-CG 4.09Å; I86-F202 HydrophobicContact CD1-CZ 3.29Å; A156-F202 HydrophobicContact CB-CE2 4.14Å; A156-F202 HydrophobicContact CB-CZ 3.84Å; H164-F202 HydrophobicContact CB-CD1 4.21Å; H164-F202 HydrophobicContact CB-CE1 4.2Å; H164-F202 AromaticContact CD2-CE1 3.83Å; H164-F202 AromaticContact CG-CE1 3.95Å; H164-F202 WeakPolarHBondContact O-CA 3.44Å; T167-F202 HydrophobicContact CG2-CD1 4.03Å; T167-F202 HydrophobicContact CG2-CE1 4.23Å; L169-F202 HydrophobicContact CB-CB 3.87Å; L169-F202 HydrophobicContact CB-CG 4.4Å; L169-F202 HydrophobicContact CD2-CB 4.44Å; L169-F202 HydrophobicContact CD2-CD2 4.15Å; F200-F202 HydrophobicContact CB-CD2 3.81Å; F200-F202 HydrophobicContact CB-CE2 4.27Å; F200-F202 HydrophobicContact CD1-CE2 4.15Å; F200-F202 HydrophobicContact CG-CD2 4.38Å; F200-F202 HydrophobicContact CG-CE2 4.45Å; F200-F202 PolarHBondContact O-N 3.18Å; F202-F204 VanDerWaalsContact C-N 3.33Å; F202-F204 PolarHBondContact O-N 3.06Å
203	L	96.6	Very high	96.5	Very high	85 Å²	85	56.6 Å²	56.6	45%	0.445	30%	0.299	S	S	.	.	B	Isolated β-bridge	trans	-70	90.3	172.2	-69.3	176.5	0	0	0	110	K165 E166 T167 L169 H208	K165-L203 WeakPolarHBondContact O-CD2 3.45Å; K165-L203 WeakPolarHBondContact O-CG 3.46Å; E166-L203 WeakPolarHBondContact O-CD1 3.49Å; T167-L203 PolarHBondContact O-N 3.03Å; L169-L203 PolarHBondContact N-O 3.32Å; L203-H208 PolarHBondContact O-ND1 3.08Å; L203-H208 VanDerWaalsContact O-ND1 3.09Å
204	F	97.4	Very high	96.1	Very high	24 Å²	24	56.2 Å²	56.2	11%	0.105	30%	0.298	C	S	.	.			trans	-127.9	136.4	-176.3	-169.4	-115.3	0	0	0	111.3	L169 I171 L192 V196 P197 F202 H208 A209	L169-F204 HydrophobicContact CB-CD2 4.19Å; L169-F204 HydrophobicContact CD2-CD2 3.99Å; L169-F204 HydrophobicContact CD2-CE2 4.46Å; L169-F204 HydrophobicContact CD2-CG 4.28Å; L169-F204 HydrophobicContact CG-CD2 3.93Å; L169-F204 HydrophobicContact CG-CE2 4.38Å; L169-F204 WeakPolarHBondContact O-CD2 3.25Å; I171-F204 HydrophobicContact CB-CE2 4.47Å; I171-F204 HydrophobicContact CD1-CE2 3.84Å; I171-F204 HydrophobicContact CD1-CZ 3.73Å; I171-F204 HydrophobicContact CG1-CE2 3.94Å; I171-F204 HydrophobicContact CG1-CZ 4.3Å; L192-F204 WeakPolarHBondContact O-CE1 3.34Å; V196-F204 HydrophobicContact CB-CD1 3.8Å; V196-F204 HydrophobicContact CB-CE1 3.69Å; V196-F204 HydrophobicContact CG1-CD1 3.66Å; V196-F204 HydrophobicContact CG1-CE1 3.91Å; V196-F204 HydrophobicContact CG1-CG 4.11Å; V196-F204 HydrophobicContact CG2-CE1 4.26Å; P197-F204 HydrophobicContact CG-CD1 3.93Å; F202-F204 VanDerWaalsContact C-N 3.33Å; F202-F204 PolarHBondContact O-N 3.06Å; F204-H208 HydrophobicContact CD2-CB 3.71Å; F204-H208 HydrophobicContact CE2-CB 3.88Å; F204-A209 HydrophobicContact CE2-CB 4.21Å; F204-A209 HydrophobicContact CZ-CB 3.81Å
205	S	92.8	Very high	95.9	Very high	47 Å²	47	54.6 Å²	54.6	33%	0.329	29%	0.287	S	S	.	.			trans	-151.8	173.9	179.3	75.6	0	0	0	0	109.6	S207 H208	S205-S207 PolarHBondContact O-N 3.43Å; S205-S207 VanDerWaalsContact O-N 3.13Å; S205-S207 PolarHBondContact OG-N 2.69Å; S205-S207 PolarHBondContact OG-OG 3.06Å; S205-H208 PolarHBondContact N-ND1 3.18Å; S205-H208 WeakPolarHBondContact O-CA 3.48Å; S205-H208 WeakPolarHBondContact O-CB 3.49Å; S205-H208 PolarHBondContact O-N 3.24Å
206	R	94.9	Very high	95.7	Very high	160 Å²	160	54.9 Å²	54.9	60%	0.604	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-54.5	-34.1	178.4	-173.4	174.9	-76.8	-114.4	-0.6	113.1	E190 V193 H208 A209	E190-R206 IonicContact OE1-NH2 3.56Å; V193-R206 HydrophobicContact CG1-CB 3.99Å; V193-R206 HydrophobicContact CG1-CG 4.46Å; V193-R206 HydrophobicContact CG2-CB 4.48Å; R206-H208 PolarHBondContact O-N 2.78Å; R206-A209 PolarHBondContact O-N 2.92Å
207	S	93.2	Very high	95.5	Very high	79 Å²	79	55.4 Å²	55.4	55%	0.552	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-72.9	-7.3	177.7	55	0	0	0	0	114.2	S205	S205-S207 PolarHBondContact O-N 3.43Å; S205-S207 VanDerWaalsContact O-N 3.13Å; S205-S207 PolarHBondContact OG-N 2.69Å; S205-S207 PolarHBondContact OG-OG 3.06Å
208	H	96.7	Very high	95.3	Very high	34 Å²	34	52.5 Å²	52.5	16%	0.157	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-100.1	-8.1	179.7	-58.9	159.7	0	0	0	113.3	L169 Y170 I171 L203 F204 S205 R206	L169-H208 VanDerWaalsContact O-CB 3.24Å; L169-H208 WeakPolarHBondContact O-CB 3.49Å; Y170-H208 CarbonylContact C-O 3.4Å; Y170-H208 WeakPolarHBondContact CA-O 3.41Å; Y170-H208 HydrophobicContact CD1-CB 4.09Å; Y170-H208 AromaticContact CD1-CD2 3.76Å; Y170-H208 AromaticContact CE1-CD2 3.34Å; Y170-H208 WeakPolarHBondContact CE1-CD2 3.33Å; Y170-H208 AromaticContact CE1-NE2 3.81Å; I171-H208 PolarHBondContact N-O 3.06Å; L203-H208 PolarHBondContact O-ND1 3.08Å; L203-H208 VanDerWaalsContact O-ND1 3.09Å; F204-H208 HydrophobicContact CD2-CB 3.71Å; F204-H208 HydrophobicContact CE2-CB 3.88Å; S205-H208 PolarHBondContact N-ND1 3.18Å; S205-H208 WeakPolarHBondContact O-CA 3.48Å; S205-H208 WeakPolarHBondContact O-CB 3.49Å; S205-H208 PolarHBondContact O-N 3.24Å; R206-H208 PolarHBondContact O-N 2.78Å
209	A	97.6	Very high	95.2	Very high	8 Å²	8	46.2 Å²	46.2	7%	0.066	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	108.4	171.6	0	0	0	0	0	109.4	I171 L189 V193 F204 R206	I171-A209 WeakPolarHBondContact O-CA 3.44Å; L189-A209 HydrophobicContact CD2-CB 4.31Å; V193-A209 HydrophobicContact CG2-CB 3.67Å; F204-A209 HydrophobicContact CE2-CB 4.21Å; F204-A209 HydrophobicContact CZ-CB 3.81Å; R206-A209 PolarHBondContact O-N 2.92Å
210	E	96.6	Very high	95.2	Very high	46 Å²	46	41.4 Å²	41.4	22%	0.215	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	149.4	-177.1	61.1	177.3	176.2	0	0	112.7	I171 L172 C173 I212 K526	I171-E210 PolarHBondContact O-N 3.2Å; I171-E210 VanDerWaalsContact O-N 3.07Å; L172-E210 HydrophobicContact CD2-CG 3.44Å; L172-E210 VanDerWaalsContact CD2-CG 3.44Å; L172-E210 WeakPolarHBondContact CD2-OE1 3.38Å; C173-E210 PolarHBondContact N-O 3.48Å; E210-I212 HydrophobicContact CG-CG2 3.8Å; E210-I212 PolarHBondContact O-N 3.47Å; E210-K526 WeakPolarHBondContact OE1-CE 3.35Å; E210-K526 IonicContact OE1-NZ 3.63Å; E210-K526 PolarHBondContact OE1-NZ 3.22Å; E210-K526 IonicContact OE2-NZ 3.5Å
211	V	97.7	Very high	95	Very high	32 Å²	32	40.8 Å²	40.8	19%	0.194	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	106.5	161.4	-175.7	0	0	0	0	107.4	C173 M177 R178 Q185 L189	C173-V211 HydrophobicContact CB-CB 4.39Å; C173-V211 HydrophobicContact CB-CG2 3.98Å; C173-V211 CarbonylContact O-C 3.26Å; C173-V211 WeakPolarHBondContact O-CA 3.32Å; M177-V211 HydrophobicContact CB-CG1 4.07Å; M177-V211 HydrophobicContact CB-CG2 3.88Å; M177-V211 HydrophobicContact CE-CG2 4.32Å; R178-V211 HydrophobicContact CG-CG1 3.51Å; Q185-V211 HydrophobicContact CB-CG2 4.32Å; Q185-V211 HydrophobicContact CG-CG2 4.49Å; L189-V211 HydrophobicContact CD1-CG2 4.06Å
212	I	95.9	Very high	94.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.189	C	C	.	.			trans	-73.4	141.3	-179.6	64	171.1	0	0	0	110.6	L172 C173 T174 R178 E210 Q216 E217 Y220 W518	L172-I212 HydrophobicContact CB-CG2 4.19Å; L172-I212 HydrophobicContact CD2-CG2 4.04Å; L172-I212 HydrophobicContact CG-CG2 4.5Å; C173-I212 WeakPolarHBondContact O-CG1 3.42Å; C173-I212 PolarHBondContact O-N 3.03Å; T174-I212 HydrophobicContact CG2-CD1 4.12Å; T174-I212 HydrophobicContact CG2-CG1 4.2Å; R178-I212 WeakPolarHBondContact CD-O 3.22Å; R178-I212 PolarHBondContact NE-O 2.89Å; E210-I212 HydrophobicContact CG-CG2 3.8Å; E210-I212 PolarHBondContact O-N 3.47Å; I212-Q216 HydrophobicContact CB-CB 4.24Å; I212-E217 HydrophobicContact CD1-CB 3.7Å; I212-E217 HydrophobicContact CD1-CG 4.03Å; I212-E217 HydrophobicContact CG1-CB 4.35Å; I212-Y220 HydrophobicContact CD1-CD2 4.37Å; I212-W518 HydrophobicContact CD1-CE3 3.96Å; I212-W518 HydrophobicContact CD1-CH2 3.7Å; I212-W518 HydrophobicContact CD1-CZ2 4.34Å; I212-W518 HydrophobicContact CD1-CZ3 3.49Å; I212-W518 VanDerWaalsContact CD1-CZ3 3.49Å
213	S	94	Very high	94.8	Very high	51 Å²	51	35.6 Å²	35.6	36%	0.357	19%	0.187	S	C	.	.			trans	-64.8	154.7	170.4	66.2	0	0	0	0	110.6	K215 Q216 E217	S213-K215 PolarHBondContact O-N 3.44Å; S213-Q216 PolarHBondContact O-N 3.17Å; S213-Q216 VanDerWaalsContact O-N 3.13Å; S213-Q216 WeakPolarHBondContact OG-CG 3.25Å; S213-Q216 PolarHBondContact OG-N 3.28Å; S213-Q216 VanDerWaalsContact OG-N 3.14Å; S213-Q216 PolarHBondContact OG-OE1 2.95Å; S213-E217 PolarHBondContact O-N 3.14Å
214	G	89.7	Confident	94.6	Very high	6 Å²	6	31.5 Å²	31.5	6%	0.062	17%	0.165	C	C	.	.	H	α-helix	trans	-58.1	-35.6	173.2	0	0	0	0	0	112.6	E217 G218 T317	G214-E217 PolarHBondContact O-N 3.22Å; G214-G218 PolarHBondContact O-N 3.4Å; G214-T317 WeakPolarHBondContact CA-OG1 3.06Å; G214-T317 PolarHBondContact O-OG1 3.32Å
215	K	91.1	Very high	94.4	Very high	72 Å²	72	30.4 Å²	30.4	31%	0.313	16%	0.16	S	C	.	.	H	α-helix	trans	-59.9	-46.6	174.5	-172.2	175.2	-177.3	171	0	111.5	S213 G218 V219 S293 L295 V315	S213-K215 PolarHBondContact O-N 3.44Å; K215-G218 PolarHBondContact O-N 2.83Å; K215-V219 VanDerWaalsContact O-CG2 3.31Å; K215-V219 WeakPolarHBondContact O-CG2 3.44Å; K215-V219 PolarHBondContact O-N 3.09Å; K215-S293 PolarHBondContact NZ-O 2.97Å; K215-L295 WeakPolarHBondContact CE-O 3.45Å; K215-L295 PolarHBondContact NZ-O 3.49Å; K215-V315 HydrophobicContact CG-CB 4.34Å; K215-V315 HydrophobicContact CG-CG1 4.47Å; K215-V315 WeakPolarHBondContact O-CG1 3.42Å
216	Q	93.5	Very high	94.4	Very high	62 Å²	62	28.1 Å²	28.1	29%	0.29	15%	0.145	S	C	.	.	H	α-helix	trans	-62.1	-46.9	175	-74.9	164.3	-61.1	0	0	111.7	I212 S213 G218 V219 Y220	I212-Q216 HydrophobicContact CB-CB 4.24Å; S213-Q216 PolarHBondContact O-N 3.17Å; S213-Q216 VanDerWaalsContact O-N 3.13Å; S213-Q216 WeakPolarHBondContact OG-CG 3.25Å; S213-Q216 PolarHBondContact OG-N 3.28Å; S213-Q216 VanDerWaalsContact OG-N 3.14Å; S213-Q216 PolarHBondContact OG-OE1 2.95Å; Q216-G218 VanDerWaalsContact C-N 3.32Å; Q216-G218 PolarHBondContact O-N 3.11Å; Q216-V219 PolarHBondContact O-N 3.23Å; Q216-Y220 HydrophobicContact CB-CD2 4.42Å; Q216-Y220 HydrophobicContact CB-CE2 3.97Å; Q216-Y220 WeakPolarHBondContact O-CB 3.21Å; Q216-Y220 WeakPolarHBondContact O-CD2 3.34Å; Q216-Y220 PolarHBondContact O-N 2.94Å
217	E	93.1	Very high	94.3	Very high	13 Å²	13	22.4 Å²	22.4	6%	0.061	12%	0.124	C	C	.	.	H	α-helix	trans	-56.8	-45.1	178.4	-167.8	178.4	164.8	0	0	111.7	T174 R178 I212 S213 G214 Y220 A221 Q271 W518	T174-E217 HydrophobicContact CG2-CG 4.35Å; R178-E217 IonicContact CZ-OE2 3.02Å; R178-E217 IonicContact NH2-OE2 2.68Å; R178-E217 PolarHBondContact NH2-OE2 3.03Å; I212-E217 HydrophobicContact CD1-CB 3.7Å; I212-E217 HydrophobicContact CD1-CG 4.03Å; I212-E217 HydrophobicContact CG1-CB 4.35Å; S213-E217 PolarHBondContact O-N 3.14Å; G214-E217 PolarHBondContact O-N 3.22Å; E217-Y220 PolarHBondContact O-N 3.12Å; E217-A221 WeakPolarHBondContact O-CB 3.4Å; E217-A221 PolarHBondContact O-N 2.85Å; E217-Q271 PolarHBondContact OE1-NE2 3.2Å; E217-Q271 PolarHBondContact OE2-NE2 3.11Å; E217-W518 HydrophobicContact CG-CD2 4.31Å; E217-W518 HydrophobicContact CG-CG 4.25Å
218	G	93.4	Very high	94	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-68.3	-39.5	176.6	0	0	0	0	0	113.9	G214 K215 Q216 A221 W222	G214-G218 PolarHBondContact O-N 3.4Å; K215-G218 PolarHBondContact O-N 2.83Å; Q216-G218 VanDerWaalsContact C-N 3.32Å; Q216-G218 PolarHBondContact O-N 3.11Å; G218-A221 PolarHBondContact O-N 2.98Å; G218-W222 WeakPolarHBondContact O-CB 3.02Å; G218-W222 PolarHBondContact O-N 2.84Å
219	V	95.2	Very high	93.7	Very high	12 Å²	12	18.2 Å²	18.2	7%	0.073	10%	0.097	C	C	.	.	H	α-helix	trans	-60.7	-47.9	172.5	167.3	0	0	0	0	110.2	K215 Q216 A221 W222 I223 A296 F298 V315	K215-V219 VanDerWaalsContact O-CG2 3.31Å; K215-V219 WeakPolarHBondContact O-CG2 3.44Å; K215-V219 PolarHBondContact O-N 3.09Å; Q216-V219 PolarHBondContact O-N 3.23Å; V219-A221 PolarHBondContact O-N 2.8Å; V219-W222 PolarHBondContact O-N 2.81Å; V219-I223 HydrophobicContact CG1-CD1 3.64Å; V219-I223 HydrophobicContact CG1-CG1 4.27Å; V219-I223 VanDerWaalsContact O-CG1 3.28Å; V219-I223 WeakPolarHBondContact O-CG1 3.41Å; V219-I223 PolarHBondContact O-N 2.93Å; V219-A296 HydrophobicContact CG2-CB 3.56Å; V219-F298 HydrophobicContact CG1-CD1 4.09Å; V219-F298 HydrophobicContact CG1-CE1 3.56Å; V219-F298 HydrophobicContact CG1-CE2 4.45Å; V219-F298 HydrophobicContact CG1-CZ 3.77Å; V219-F298 HydrophobicContact CG2-CE1 4.2Å; V219-V315 HydrophobicContact CG2-CB 4.42Å; V219-V315 HydrophobicContact CG2-CG2 3.64Å
220	Y	95.4	Very high	93.2	Very high	8 Å²	8	18.3 Å²	18.3	3%	0.031	10%	0.099	C	C	.	.	H	α-helix	trans	-64.3	-39.2	179.7	-62.2	-31.5	0	0	0	112.2	I212 Q216 E217 W222 I223 G224 W518 G521 A522 F525	I212-Y220 HydrophobicContact CD1-CD2 4.37Å; Q216-Y220 HydrophobicContact CB-CD2 4.42Å; Q216-Y220 HydrophobicContact CB-CE2 3.97Å; Q216-Y220 WeakPolarHBondContact O-CB 3.21Å; Q216-Y220 WeakPolarHBondContact O-CD2 3.34Å; Q216-Y220 PolarHBondContact O-N 2.94Å; E217-Y220 PolarHBondContact O-N 3.12Å; Y220-W222 VanDerWaalsContact C-N 3.34Å; Y220-W222 PolarHBondContact O-N 2.76Å; Y220-I223 HydrophobicContact CD1-CD1 4.34Å; Y220-I223 PolarHBondContact O-N 2.81Å; Y220-G224 PolarHBondContact O-N 2.98Å; Y220-W518 WeakPolarHBondContact CB-O 3.24Å; Y220-W518 HydrophobicContact CD2-CE3 4.12Å; Y220-W518 HydrophobicContact CD2-CZ3 4.42Å; Y220-G521 WeakPolarHBondContact O-CA 3.4Å; Y220-A522 HydrophobicContact CD1-CB 4.25Å; Y220-A522 HydrophobicContact CD2-CB 3.63Å; Y220-A522 HydrophobicContact CE2-CB 3.96Å; Y220-A522 HydrophobicContact CG-CB 3.79Å; Y220-F525 HydrophobicContact CD1-CB 4.16Å; Y220-F525 HydrophobicContact CE1-CB 3.83Å; Y220-F525 AromaticContact CE1-CD1 3.73Å; Y220-F525 HydrophobicContact CE1-CD1 3.73Å; Y220-F525 AromaticContact CE1-CG 3.87Å; Y220-F525 HydrophobicContact CE1-CG 3.87Å
221	A	93.6	Very high	92.9	Very high	8 Å²	8	18 Å²	18	7%	0.066	10%	0.096	C	C	.	.	H	α-helix	trans	-59.7	-45.1	172.5	0	0	0	0	0	111.9	E217 G218 V219 G224 I225 I262 W518	E217-A221 WeakPolarHBondContact O-CB 3.4Å; E217-A221 PolarHBondContact O-N 2.85Å; G218-A221 PolarHBondContact O-N 2.98Å; V219-A221 PolarHBondContact O-N 2.8Å; A221-G224 PolarHBondContact O-N 3.15Å; A221-I225 PolarHBondContact O-N 2.85Å; A221-I225 VanDerWaalsContact O-N 3.15Å; A221-I262 HydrophobicContact CB-CD1 3.58Å; A221-I262 HydrophobicContact CB-CG1 4.08Å; A221-W518 HydrophobicContact CB-CB 3.87Å
222	W	96.3	Very high	92.6	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-64.5	-41.2	178	179.8	90.1	0	0	0	112.2	G218 V219 Y220 I225 N226 F232 T259 V260 I262 A273 E275 F298 Y311 V313	G218-W222 WeakPolarHBondContact O-CB 3.02Å; G218-W222 PolarHBondContact O-N 2.84Å; V219-W222 PolarHBondContact O-N 2.81Å; Y220-W222 VanDerWaalsContact C-N 3.34Å; Y220-W222 PolarHBondContact O-N 2.76Å; W222-I225 WeakPolarHBondContact O-CG2 3.37Å; W222-N226 VanDerWaalsContact CE2-ND2 3.32Å; W222-N226 PolarHBondContact NE1-ND2 3.21Å; W222-N226 WeakPolarHBondContact O-CB 3.4Å; W222-N226 PolarHBondContact O-N 3.15Å; W222-N226 PolarHBondContact O-ND2 3.27Å; W222-F232 AromaticContact CH2-CE1 3.79Å; W222-F232 HydrophobicContact CH2-CE1 3.79Å; W222-F232 HydrophobicContact CH2-CZ 4.17Å; W222-F232 AromaticContact CZ3-CE1 3.88Å; W222-F232 HydrophobicContact CZ3-CE1 3.88Å; W222-F232 AromaticContact CZ3-CZ 3.81Å; W222-F232 HydrophobicContact CZ3-CZ 3.81Å; W222-T259 HydrophobicContact CH2-CG2 4Å; W222-T259 HydrophobicContact CZ2-CG2 3.59Å; W222-V260 VanDerWaalsContact CD1-O 3.31Å; W222-V260 PolarHBondContact NE1-O 2.78Å; W222-V260 VanDerWaalsContact NE1-O 3.12Å; W222-I262 HydrophobicContact CB-CG1 4.15Å; W222-A273 HydrophobicContact CB-CB 3.88Å; W222-A273 HydrophobicContact CG-CB 4.41Å; W222-E275 HydrophobicContact CZ2-CB 4.01Å; W222-F298 AromaticContact CE3-CZ 3.93Å; W222-F298 HydrophobicContact CE3-CZ 3.93Å; W222-F298 HydrophobicContact CZ3-CE2 4.2Å; W222-F298 AromaticContact CZ3-CZ 3.78Å; W222-F298 HydrophobicContact CZ3-CZ 3.78Å; W222-Y311 AromaticContact CH2-CD1 3.4Å; W222-Y311 HydrophobicContact CH2-CD1 3.4Å; W222-Y311 HydrophobicContact CH2-CD2 4.32Å; W222-Y311 AromaticContact CH2-CE1 3.91Å; W222-Y311 HydrophobicContact CH2-CE1 3.91Å; W222-Y311 AromaticContact CH2-CG 3.65Å; W222-Y311 HydrophobicContact CH2-CG 3.65Å; W222-Y311 HydrophobicContact CZ2-CD1 4.17Å; W222-Y311 HydrophobicContact CZ3-CD1 4.29Å; W222-Y311 HydrophobicContact CZ3-CD2 4.48Å; W222-Y311 HydrophobicContact CZ3-CG 4.11Å; W222-V313 HydrophobicContact CB-CG1 4.43Å; W222-V313 HydrophobicContact CD2-CG1 4.03Å; W222-V313 HydrophobicContact CD2-CG2 3.9Å; W222-V313 HydrophobicContact CE3-CG2 3.85Å; W222-V313 HydrophobicContact CG-CG1 3.92Å; W222-V313 HydrophobicContact CH2-CG2 4.05Å; W222-V313 HydrophobicContact CZ2-CG2 4.05Å; W222-V313 HydrophobicContact CZ3-CG2 3.95Å
223	I	95.6	Very high	92	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-61.1	-48.9	174.2	-67.6	165.5	0	0	0	109.8	V219 Y220 I225 N226 F227 F232 F298 L300 L524 F525	V219-I223 HydrophobicContact CG1-CD1 3.64Å; V219-I223 HydrophobicContact CG1-CG1 4.27Å; V219-I223 VanDerWaalsContact O-CG1 3.28Å; V219-I223 WeakPolarHBondContact O-CG1 3.41Å; V219-I223 PolarHBondContact O-N 2.93Å; Y220-I223 HydrophobicContact CD1-CD1 4.34Å; Y220-I223 PolarHBondContact O-N 2.81Å; I223-I225 PolarHBondContact O-N 3.48Å; I223-N226 PolarHBondContact O-N 3.08Å; I223-F227 VanDerWaalsContact O-CB 3.26Å; I223-F227 WeakPolarHBondContact O-CB 3.48Å; I223-F227 PolarHBondContact O-N 3.34Å; I223-F232 HydrophobicContact CG2-CE2 4.09Å; I223-F232 HydrophobicContact CG2-CZ 4.45Å; I223-F232 WeakPolarHBondContact O-CE2 3.5Å; I223-F298 HydrophobicContact CD1-CE2 3.89Å; I223-F298 HydrophobicContact CD1-CZ 4.17Å; I223-F298 HydrophobicContact CG1-CE2 3.96Å; I223-F298 HydrophobicContact CG1-CZ 4.07Å; I223-L300 HydrophobicContact CD1-CD2 3.76Å; I223-L300 HydrophobicContact CG1-CD1 4.36Å; I223-L300 HydrophobicContact CG1-CD2 4.1Å; I223-L300 HydrophobicContact CG2-CD1 4.4Å; I223-L300 HydrophobicContact CG2-CD2 4.29Å; I223-L524 HydrophobicContact CG2-CB 4.48Å; I223-L524 HydrophobicContact CG2-CD2 3.71Å; I223-F525 HydrophobicContact CD1-CB 4.2Å; I223-F525 HydrophobicContact CD1-CD2 4Å; I223-F525 HydrophobicContact CD1-CG 4.44Å
224	G	92.8	Very high	90.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-57.6	-48.8	-176.1	0	0	0	0	0	113.2	Y220 A221 V228	Y220-G224 PolarHBondContact O-N 2.98Å; A221-G224 PolarHBondContact O-N 3.15Å; G224-V228 WeakPolarHBondContact O-CG2 3.41Å; G224-V228 PolarHBondContact O-N 3.22Å
225	I	92.8	Very high	90	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-66.1	-41.4	179.6	-173.5	52.9	0	0	0	112.1	A221 W222 I223 F227 V228 L229 V260 I262 Y421 F423 V511 V516	A221-I225 PolarHBondContact O-N 2.85Å; A221-I225 VanDerWaalsContact O-N 3.15Å; W222-I225 WeakPolarHBondContact O-CG2 3.37Å; I223-I225 PolarHBondContact O-N 3.48Å; I225-F227 VanDerWaalsContact C-N 3.3Å; I225-F227 PolarHBondContact O-N 2.93Å; I225-V228 PolarHBondContact O-N 2.91Å; I225-L229 HydrophobicContact CD1-CD1 3.89Å; I225-L229 HydrophobicContact CD1-CG 3.91Å; I225-L229 HydrophobicContact CG1-CD1 3.85Å; I225-L229 HydrophobicContact CG1-CG 4.29Å; I225-L229 WeakPolarHBondContact O-CB 3.23Å; I225-L229 VanDerWaalsContact O-CG 3.3Å; I225-L229 WeakPolarHBondContact O-CG 3.45Å; I225-L229 PolarHBondContact O-N 3.2Å; I225-V260 HydrophobicContact CB-CG2 4.33Å; I225-V260 HydrophobicContact CG1-CG2 3.6Å; I225-V260 HydrophobicContact CG2-CG2 3.68Å; I225-I262 HydrophobicContact CB-CG2 3.96Å; I225-I262 HydrophobicContact CG1-CG2 4.5Å; I225-I262 HydrophobicContact CG2-CG2 3.15Å; I225-Y421 HydrophobicContact CD1-CD1 4.14Å; I225-Y421 HydrophobicContact CD1-CD2 4.42Å; I225-Y421 HydrophobicContact CD1-CE1 4.4Å; I225-Y421 HydrophobicContact CD1-CG 4.15Å; I225-Y421 HydrophobicContact CG1-CD2 4.25Å; I225-Y421 HydrophobicContact CG1-CG 4.18Å; I225-F423 HydrophobicContact CB-CZ 4.37Å; I225-F423 HydrophobicContact CD1-CZ 4.04Å; I225-F423 HydrophobicContact CG1-CZ 4.22Å; I225-V511 HydrophobicContact CD1-CB 4.3Å; I225-V511 HydrophobicContact CD1-CG1 4.29Å; I225-V511 HydrophobicContact CD1-CG2 3.77Å; I225-V516 HydrophobicContact CB-CG1 3.82Å; I225-V516 HydrophobicContact CD1-CG1 3.97Å; I225-V516 HydrophobicContact CD1-CG2 4.05Å; I225-V516 HydrophobicContact CG1-CG1 4.42Å
226	N	93.9	Very high	88.9	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-71.8	-32.9	-175.4	-80.9	-69.7	0	0	0	110.7	W222 I223 G230 R231 F232 T259 V260	W222-N226 VanDerWaalsContact CE2-ND2 3.32Å; W222-N226 PolarHBondContact NE1-ND2 3.21Å; W222-N226 WeakPolarHBondContact O-CB 3.4Å; W222-N226 PolarHBondContact O-N 3.15Å; W222-N226 PolarHBondContact O-ND2 3.27Å; I223-N226 PolarHBondContact O-N 3.08Å; N226-G230 PolarHBondContact O-N 2.9Å; N226-R231 HydrophobicContact CB-CB 4.01Å; N226-R231 HydrophobicContact CB-CG 4.31Å; N226-R231 WeakPolarHBondContact O-CB 3.43Å; N226-R231 PolarHBondContact O-N 2.88Å; N226-R231 VanDerWaalsContact OD1-CG 3.32Å; N226-R231 WeakPolarHBondContact OD1-CG 3.27Å; N226-F232 HydrophobicContact CB-CD1 4.45Å; N226-F232 HydrophobicContact CB-CE1 3.69Å; N226-F232 HydrophobicContact CB-CE2 3.99Å; N226-F232 HydrophobicContact CB-CZ 3.42Å; N226-F232 VanDerWaalsContact CB-CZ 3.42Å; N226-T259 WeakPolarHBondContact OD1-CA 3.33Å; N226-T259 WeakPolarHBondContact OD1-CB 3.46Å; N226-V260 PolarHBondContact ND2-O 2.94Å; N226-V260 PolarHBondContact OD1-N 2.93Å
227	F	91.5	Very high	87.3	Confident	40 Å²	40	31.5 Å²	31.5	18%	0.175	16%	0.161	C	C	.	.	H	α-helix	trans	-62.9	-52.3	169.8	-177.6	-101.9	0	0	0	111.6	L112 L113 I115 I223 I225 L229 G230 F232 L520 L524	L112-F227 HydrophobicContact CD1-CD2 4.48Å; L113-F227 WeakPolarHBondContact O-CE2 3.44Å; L113-F227 WeakPolarHBondContact O-CZ 3.41Å; I115-F227 HydrophobicContact CB-CE1 4.45Å; I115-F227 HydrophobicContact CB-CZ 4.42Å; I115-F227 VanDerWaalsContact O-CE1 3.32Å; I115-F227 WeakPolarHBondContact O-CE1 3.27Å; I223-F227 VanDerWaalsContact O-CB 3.26Å; I223-F227 WeakPolarHBondContact O-CB 3.48Å; I223-F227 PolarHBondContact O-N 3.34Å; I225-F227 VanDerWaalsContact C-N 3.3Å; I225-F227 PolarHBondContact O-N 2.93Å; F227-L229 PolarHBondContact O-N 3.43Å; F227-G230 PolarHBondContact O-N 3.44Å; F227-F232 HydrophobicContact CB-CD2 3.98Å; F227-F232 HydrophobicContact CB-CE2 3.83Å; F227-F232 HydrophobicContact CD2-CD2 4.2Å; F227-L520 HydrophobicContact CD1-CD1 4.47Å; F227-L520 HydrophobicContact CD1-CD2 4.08Å; F227-L520 HydrophobicContact CD1-CG 4.34Å; F227-L520 HydrophobicContact CE1-CD1 4.48Å; F227-L524 HydrophobicContact CB-CD2 4.02Å; F227-L524 HydrophobicContact CD2-CD1 4.37Å; F227-L524 HydrophobicContact CD2-CD2 3.43Å; F227-L524 VanDerWaalsContact CD2-CD2 3.43Å; F227-L524 HydrophobicContact CE2-CD1 4.1Å; F227-L524 HydrophobicContact CE2-CD2 4.01Å; F227-L524 HydrophobicContact CG-CD2 3.74Å
228	V	88.2	Confident	86.1	Confident	17 Å²	17	40 Å²	40	10%	0.103	20%	0.2	C	C	.	.	H	α-helix	trans	-61.4	-33	-179.9	170.8	0	0	0	0	112.5	G224 I225 G230 V511 Y512 K514 V516 L520	G224-V228 WeakPolarHBondContact O-CG2 3.41Å; G224-V228 PolarHBondContact O-N 3.22Å; I225-V228 PolarHBondContact O-N 2.91Å; V228-G230 VanDerWaalsContact C-N 3.3Å; V228-V511 HydrophobicContact CG1-CB 4.07Å; V228-V511 HydrophobicContact CG1-CG1 4Å; V228-Y512 HydrophobicContact CG1-CD2 4.11Å; V228-K514 HydrophobicContact CG1-CD 4.49Å; V228-V516 HydrophobicContact CB-CG2 4.4Å; V228-V516 HydrophobicContact CG1-CG2 4.22Å; V228-V516 HydrophobicContact CG2-CG2 4.32Å; V228-L520 HydrophobicContact CG2-CD2 3.45Å; V228-L520 VanDerWaalsContact CG2-CD2 3.45Å
229	L	89.1	Confident	85.3	Confident	7 Å²	7	42.1 Å²	42.1	4%	0.037	21%	0.212	C	C	.	.	H	α-helix	trans	-79.1	-10.7	177.1	-70	178	0	0	0	113.8	K64 I225 F227 R231 V260 Y421 V511 Y512	K64-L229 PolarHBondContact NZ-O 3Å; K64-L229 VanDerWaalsContact NZ-O 3.15Å; I225-L229 HydrophobicContact CD1-CD1 3.89Å; I225-L229 HydrophobicContact CD1-CG 3.91Å; I225-L229 HydrophobicContact CG1-CD1 3.85Å; I225-L229 HydrophobicContact CG1-CG 4.29Å; I225-L229 WeakPolarHBondContact O-CB 3.23Å; I225-L229 VanDerWaalsContact O-CG 3.3Å; I225-L229 WeakPolarHBondContact O-CG 3.45Å; I225-L229 PolarHBondContact O-N 3.2Å; F227-L229 PolarHBondContact O-N 3.43Å; L229-R231 HydrophobicContact CB-CG 3.83Å; L229-V260 HydrophobicContact CD1-CB 4.27Å; L229-V260 HydrophobicContact CD1-CG1 3.69Å; L229-V260 HydrophobicContact CD1-CG2 3.55Å; L229-Y421 HydrophobicContact CD1-CE2 3.95Å; L229-V511 HydrophobicContact CD2-CG1 3.74Å; L229-Y512 HydrophobicContact CD2-CE2 3.78Å
230	G	88.8	Confident	84.6	Confident	10 Å²	10	43.5 Å²	43.5	10%	0.103	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	28.3	-175.2	0	0	0	0	0	113.2	N226 F227 V228 F232 D233 R257	N226-G230 PolarHBondContact O-N 2.9Å; F227-G230 PolarHBondContact O-N 3.44Å; V228-G230 VanDerWaalsContact C-N 3.3Å; G230-F232 PolarHBondContact O-N 3.47Å; G230-D233 WeakPolarHBondContact CA-OD2 3.16Å; G230-D233 PolarHBondContact O-N 3.35Å; G230-R257 WeakPolarHBondContact O-CD 3.25Å; G230-R257 PolarHBondContact O-NH1 3.4Å
231	R	90.3	Very high	84.2	Confident	41 Å²	41	46.2 Å²	46.2	16%	0.155	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-12.9	-179.4	-55.3	-54.5	-168.6	168.2	4.6	113.1	N226 L229 R258 T259 E419	N226-R231 HydrophobicContact CB-CB 4.01Å; N226-R231 HydrophobicContact CB-CG 4.31Å; N226-R231 WeakPolarHBondContact O-CB 3.43Å; N226-R231 PolarHBondContact O-N 2.88Å; N226-R231 VanDerWaalsContact OD1-CG 3.32Å; N226-R231 WeakPolarHBondContact OD1-CG 3.27Å; L229-R231 HydrophobicContact CB-CG 3.83Å; R231-R258 WeakPolarHBondContact CD-O 3.34Å; R231-T259 HydrophobicContact CB-CG2 4.36Å; R231-E419 IonicContact NH2-OE1 3.87Å; R231-E419 IonicContact NH2-OE2 2.83Å; R231-E419 PolarHBondContact NH2-OE2 3.21Å
232	F	90.2	Very high	83.8	Confident	8 Å²	8	46.6 Å²	46.6	4%	0.035	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-10.5	175.1	-55.9	-37.6	0	0	0	113	L112 W222 I223 N226 F227 G230 L300 H309 Y311	L112-F232 HydrophobicContact CD1-CB 3.84Å; L112-F232 HydrophobicContact CD1-CD2 3.68Å; L112-F232 HydrophobicContact CD1-CG 4.01Å; W222-F232 AromaticContact CH2-CE1 3.79Å; W222-F232 HydrophobicContact CH2-CE1 3.79Å; W222-F232 HydrophobicContact CH2-CZ 4.17Å; W222-F232 AromaticContact CZ3-CE1 3.88Å; W222-F232 HydrophobicContact CZ3-CE1 3.88Å; W222-F232 AromaticContact CZ3-CZ 3.81Å; W222-F232 HydrophobicContact CZ3-CZ 3.81Å; I223-F232 HydrophobicContact CG2-CE2 4.09Å; I223-F232 HydrophobicContact CG2-CZ 4.45Å; I223-F232 WeakPolarHBondContact O-CE2 3.5Å; N226-F232 HydrophobicContact CB-CD1 4.45Å; N226-F232 HydrophobicContact CB-CE1 3.69Å; N226-F232 HydrophobicContact CB-CE2 3.99Å; N226-F232 HydrophobicContact CB-CZ 3.42Å; N226-F232 VanDerWaalsContact CB-CZ 3.42Å; F227-F232 HydrophobicContact CB-CD2 3.98Å; F227-F232 HydrophobicContact CB-CE2 3.83Å; F227-F232 HydrophobicContact CD2-CD2 4.2Å; G230-F232 PolarHBondContact O-N 3.47Å; F232-L300 HydrophobicContact CD1-CD1 4.28Å; F232-L300 HydrophobicContact CD2-CD1 4.17Å; F232-L300 HydrophobicContact CE1-CD1 3.83Å; F232-L300 HydrophobicContact CE2-CD1 3.7Å; F232-L300 HydrophobicContact CG-CD1 4.44Å; F232-L300 HydrophobicContact CZ-CD1 3.51Å; F232-H309 PolarHBondContact O-CE1 3.48Å; F232-H309 VanDerWaalsContact O-CE1 3.22Å; F232-Y311 HydrophobicContact CD1-CE1 4.29Å; F232-Y311 HydrophobicContact CD1-CE2 4.14Å; F232-Y311 AromaticContact CD1-CZ 3.66Å; F232-Y311 VanDerWaalsContact CD1-OH 3.29Å; F232-Y311 WeakPolarHBondContact CD1-OH 3.32Å; F232-Y311 HydrophobicContact CE1-CE1 4.15Å; F232-Y311 HydrophobicContact CE1-CE2 4.09Å; F232-Y311 AromaticContact CE1-CZ 3.79Å
233	D	83.3	Confident	83.3	Confident	97 Å²	97	53.8 Å²	53.8	52%	0.519	28%	0.277	S	S	.	.	S	Bend	trans	-74.5	163.2	176.3	-52.4	-38.7	0	0	0	111.2	G230 R257	G230-D233 WeakPolarHBondContact CA-OD2 3.16Å; G230-D233 PolarHBondContact O-N 3.35Å; D233-R257 WeakPolarHBondContact O-CD 3.34Å; D233-R257 IonicContact OD2-NH1 2.76Å
234	H	72.1	Confident	82.8	Confident	91 Å²	91	54.1 Å²	54.1	42%	0.421	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-60.6	139	175.8	-69	-79.6	0	0	0	111.3	H110 R257 Q308	H110-H234 WeakPolarHBondContact CB-NE2 3.17Å; H234-R257 VanDerWaalsContact O-CZ 3.23Å; H234-R257 PolarHBondContact O-NE 2.89Å; H234-R257 PolarHBondContact O-NH2 3.02Å; H234-Q308 PolarHBondContact CE1-NE2 2.87Å; H234-Q308 PolarHBondContact CE1-OE1 3.34Å; H234-Q308 PolarHBondContact ND1-NE2 3.36Å
235	P	69.1	Low	82.3	Confident	53 Å²	53	56.8 Å²	56.8	34%	0.344	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-64.6	135	-179.8	25.4	-32.4	0	0	0	112	T241 R257	P235-T241 HydrophobicContact CB-CG2 3.98Å; P235-R257 HydrophobicContact CB-CG 3.91Å
236	D	68.6	Low	81.1	Confident	87 Å²	87	57.8 Å²	57.8	47%	0.465	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-92	163.3	165.7	-68.9	-47.9	0	0	0	109.6	E238 D239 R257	D236-E238 PolarHBondContact O-N 2.95Å; D236-D239 PolarHBondContact N-OD2 3.38Å; D236-D239 PolarHBondContact O-N 2.68Å; D236-D239 VanDerWaalsContact O-N 3.07Å; D236-R257 IonicContact OD2-NH2 3.78Å; D236-R257 PolarHBondContact OD2-NH2 3.28Å
237	E	61.1	Low	79.3	Confident	169 Å²	169	60.5 Å²	60.5	79%	0.79	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-20.2	-175.1	-73.2	176.5	-177.3	0	0	114.7	R56	R56-E237 IonicContact CZ-OE1 3.31Å; R56-E237 IonicContact NH1-OE1 3.37Å; R56-E237 PolarHBondContact NH1-OE1 2.86Å; R56-E237 IonicContact NH1-OE2 3.12Å; R56-E237 PolarHBondContact NH1-OE2 2.98Å
238	E	66.9	Low	77.6	Confident	191 Å²	191	61.6 Å²	61.6	89%	0.893	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-5.6	-179.9	-65.4	-177.3	179.7	0	0	113.7	D236	D236-E238 PolarHBondContact O-N 2.95Å
239	D	77.6	Confident	75.9	Confident	45 Å²	45	70 Å²	70	24%	0.241	38%	0.38	C	S	.	.	S	Bend	trans	-79.3	141.7	-174.7	-70.9	-46.8	0	0	0	112.6	D236 T241 R257	D236-D239 PolarHBondContact N-OD2 3.38Å; D236-D239 PolarHBondContact O-N 2.68Å; D236-D239 VanDerWaalsContact O-N 3.07Å; D239-T241 PolarHBondContact O-N 2.91Å; D239-R257 HydrophobicContact CB-CG 4.2Å; D239-R257 IonicContact OD1-NE 2.89Å; D239-R257 IonicContact OD2-CZ 3.1Å; D239-R257 IonicContact OD2-NE 2.91Å; D239-R257 PolarHBondContact OD2-NE 2.93Å; D239-R257 IonicContact OD2-NH2 2.72Å; D239-R257 PolarHBondContact OD2-NH2 3.27Å
240	A	80.4	Confident	74.3	Confident	41 Å²	41	77.1 Å²	77.1	34%	0.339	42%	0.419	S	S	.	.			trans	-66.3	116.7	165.5	0	0	0	0	0	109.4	R258	A240-R258 HydrophobicContact CB-CB 4.43Å; A240-R258 WeakPolarHBondContact O-CB 3.04Å; A240-R258 PolarHBondContact O-N 3.01Å
241	T	85.9	Confident	73.2	Confident	65 Å²	65	81 Å²	81	40%	0.399	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	157.8	179.1	58.1	0	0	0	0	112.5	P235 D239 R256	P235-T241 HydrophobicContact CB-CG2 3.98Å; D239-T241 PolarHBondContact O-N 2.91Å; T241-R256 CarbonylContact C-O 3.55Å; T241-R256 WeakPolarHBondContact CA-O 3.4Å; T241-R256 WeakPolarHBondContact CB-O 3.3Å
242	V	85.2	Confident	72.3	Confident	17 Å²	17	83.8 Å²	83.8	10%	0.103	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	145.6	170.8	-68.5	0	0	0	0	110.1	V244 S255 R256 R258 P277	V242-V244 HydrophobicContact CG2-CG2 3.98Å; V242-S255 WeakPolarHBondContact O-CA 3.04Å; V242-R256 PolarHBondContact N-O 2.94Å; V242-R256 PolarHBondContact O-N 2.78Å; V242-R256 VanDerWaalsContact O-N 3.14Å; V242-R258 HydrophobicContact CG1-CB 3.87Å; V242-R258 HydrophobicContact CG1-CG 3.68Å; V242-P277 HydrophobicContact CG2-CB 4.49Å
243	E	86.1	Confident	71.9	Confident	151 Å²	151	87.1 Å²	87.1	71%	0.706	48%	0.48	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.9	130.7	169.3	-66.1	-173.8	166.3	0	0	109.7	P253 I254	E243-P253 HydrophobicContact CB-CB 4.45Å; E243-I254 CarbonylContact C-O 3.56Å; E243-I254 WeakPolarHBondContact CA-O 3.25Å
244	V	84.9	Confident	72	Confident	6 Å²	6	84.4 Å²	84.4	4%	0.036	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	135.8	-174.4	-175.4	0	0	0	0	111	V242 T246 P253 I254 R256 P277	V242-V244 HydrophobicContact CG2-CG2 3.98Å; V244-T246 HydrophobicContact CG1-CG2 4.37Å; V244-P253 WeakPolarHBondContact O-CA 3.45Å; V244-I254 HydrophobicContact CB-CG1 3.9Å; V244-I254 PolarHBondContact N-O 2.79Å; V244-I254 PolarHBondContact O-N 2.8Å; V244-R256 HydrophobicContact CG2-CG 4.07Å; V244-P277 WeakPolarHBondContact CA-O 3.18Å; V244-P277 HydrophobicContact CG2-CB 3.91Å
245	T	81.8	Confident	72.6	Confident	57 Å²	57	83.4 Å²	83.4	35%	0.35	47%	0.469	S	S	.	.			trans	-103.1	108.5	172.6	56	0	0	0	0	111.2	G247 P277 A279	T245-G247 VanDerWaalsContact C-N 3.31Å; T245-G247 PolarHBondContact O-N 2.68Å; T245-G247 VanDerWaalsContact O-N 3.07Å; T245-P277 PolarHBondContact N-O 2.95Å; T245-A279 PolarHBondContact OG1-N 2.81Å
246	T	67.9	Low	73.5	Confident	20 Å²	20	81.5 Å²	81.5	12%	0.123	46%	0.455	C	S	.	.			trans	-87	60	-176.4	53.1	0	0	0	0	112.3	V244 S248 I254 V310	V244-T246 HydrophobicContact CG1-CG2 4.37Å; T246-S248 PolarHBondContact O-N 3.28Å; T246-I254 HydrophobicContact CG2-CD1 3.76Å; T246-I254 HydrophobicContact CG2-CG1 4.29Å; T246-V310 HydrophobicContact CG2-CB 4.33Å; T246-V310 HydrophobicContact CG2-CG1 4.46Å
247	G	56.9	Low	74.5	Confident	58 Å²	58	78.6 Å²	78.6	60%	0.598	44%	0.437	S	S	*	.	S	Bend	trans	56.5	-11.2	162.1	0	0	0	0	0	119.8	T245	T245-G247 VanDerWaalsContact C-N 3.31Å; T245-G247 PolarHBondContact O-N 2.68Å; T245-G247 VanDerWaalsContact O-N 3.07Å
248	S	55.3	Low	76	Confident	62 Å²	62	72.8 Å²	72.8	43%	0.434	41%	0.408	S	S	.	.			trans	-95.7	113.7	176.5	-178.2	0	0	0	0	107.2	T246 N250 Q251	T246-S248 PolarHBondContact O-N 3.28Å; S248-N250 PolarHBondContact O-N 2.95Å; S248-Q251 PolarHBondContact O-N 3.12Å; S248-Q251 VanDerWaalsContact O-N 3.16Å
249	E	52.8	Low	77.3	Confident	193 Å²	193	64.2 Å²	64.2	90%	0.902	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-3.8	-173.7	-66.6	-175.4	150.5	0	0	114.8
250	N	55.6	Low	78.2	Confident	157 Å²	157	62.1 Å²	62.1	84%	0.84	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.5	9.1	-176.5	-69.1	-39.3	0	0	0	115.2	S248	S248-N250 PolarHBondContact O-N 2.95Å
251	Q	65.6	Low	78.9	Confident	92 Å²	92	60.3 Å²	60.3	43%	0.43	34%	0.343	S	S	.	.	S	Bend	trans	-98.3	137.3	175.1	-71.3	-165	-9.5	0	0	111.9	S248	S248-Q251 PolarHBondContact O-N 3.12Å; S248-Q251 VanDerWaalsContact O-N 3.16Å
252	P	71.1	Confident	79.4	Confident	100 Å²	100	57.2 Å²	57.2	65%	0.649	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-61.9	147.9	176.3	27.2	-33.9	0	0	0	110.4	I254	P252-I254 PolarHBondContact O-N 2.89Å
253	P	81.4	Confident	79.9	Confident	78 Å²	78	56.4 Å²	56.4	51%	0.506	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-54.2	137.5	173.2	-21.6	31.1	0	0	0	110.8	E243 V244	E243-P253 HydrophobicContact CB-CB 4.45Å; V244-P253 WeakPolarHBondContact O-CA 3.45Å
254	I	85	Confident	80.3	Confident	39 Å²	39	50 Å²	50	20%	0.2	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	138.7	174.6	63.1	174	0	0	0	109.4	E243 V244 T246 P252	E243-I254 CarbonylContact C-O 3.56Å; E243-I254 WeakPolarHBondContact CA-O 3.25Å; V244-I254 HydrophobicContact CB-CG1 3.9Å; V244-I254 PolarHBondContact N-O 2.79Å; V244-I254 PolarHBondContact O-N 2.8Å; T246-I254 HydrophobicContact CG2-CD1 3.76Å; T246-I254 HydrophobicContact CG2-CG1 4.29Å; P252-I254 PolarHBondContact O-N 2.89Å
255	S	85.3	Confident	80.7	Confident	71 Å²	71	49.7 Å²	49.7	50%	0.497	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	126.5	171.1	-175.5	0	0	0	0	109.5	V242	V242-S255 WeakPolarHBondContact O-CA 3.04Å
256	R	87.6	Confident	81.1	Confident	13 Å²	13	47.9 Å²	47.9	5%	0.049	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	167.6	175	64.3	176.8	174.2	-149.5	-3.8	111.8	T241 V242 V244 R258 E275 Q308 V310 Y311	T241-R256 CarbonylContact C-O 3.55Å; T241-R256 WeakPolarHBondContact CA-O 3.4Å; T241-R256 WeakPolarHBondContact CB-O 3.3Å; V242-R256 PolarHBondContact N-O 2.94Å; V242-R256 PolarHBondContact O-N 2.78Å; V242-R256 VanDerWaalsContact O-N 3.14Å; V244-R256 HydrophobicContact CG2-CG 4.07Å; R256-R258 PolarHBondContact O-N 2.86Å; R256-E275 IonicContact CZ-OE1 2.91Å; R256-E275 IonicContact NE-OE1 3.59Å; R256-E275 PolarHBondContact NE-OE1 3.39Å; R256-E275 IonicContact NH2-OE1 3.83Å; R256-E275 PolarHBondContact NH2-OE1 2.96Å; R256-Q308 PolarHBondContact NH1-O 3.46Å; R256-V310 VanDerWaalsContact CZ-O 3.29Å; R256-V310 PolarHBondContact NH1-O 3.08Å; R256-V310 PolarHBondContact NH2-O 2.89Å; R256-Y311 VanDerWaalsContact NE-CE1 3.34Å
257	R	90.3	Very high	82.1	Confident	26 Å²	26	47.6 Å²	47.6	10%	0.098	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54	135	175.4	-68.3	-176.4	170.1	174.6	3.8	109.8	G230 D233 H234 P235 D236 D239 T259	G230-R257 WeakPolarHBondContact O-CD 3.25Å; G230-R257 PolarHBondContact O-NH1 3.4Å; D233-R257 WeakPolarHBondContact O-CD 3.34Å; D233-R257 IonicContact OD2-NH1 2.76Å; H234-R257 VanDerWaalsContact O-CZ 3.23Å; H234-R257 PolarHBondContact O-NE 2.89Å; H234-R257 PolarHBondContact O-NH2 3.02Å; P235-R257 HydrophobicContact CB-CG 3.91Å; D236-R257 IonicContact OD2-NH2 3.78Å; D236-R257 PolarHBondContact OD2-NH2 3.28Å; D239-R257 HydrophobicContact CB-CG 4.2Å; D239-R257 IonicContact OD1-NE 2.89Å; D239-R257 IonicContact OD2-CZ 3.1Å; D239-R257 IonicContact OD2-NE 2.91Å; D239-R257 PolarHBondContact OD2-NE 2.93Å; D239-R257 IonicContact OD2-NH2 2.72Å; D239-R257 PolarHBondContact OD2-NH2 3.27Å; R257-T259 PolarHBondContact O-N 3.05Å
258	R	92	Very high	83.8	Confident	47 Å²	47	45 Å²	45	18%	0.177	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-62	126.2	173.4	-171.5	-179.1	70.9	-156.1	0.2	109.3	R231 A240 V242 R256 N417 E419	R231-R258 WeakPolarHBondContact CD-O 3.34Å; A240-R258 HydrophobicContact CB-CB 4.43Å; A240-R258 WeakPolarHBondContact O-CB 3.04Å; A240-R258 PolarHBondContact O-N 3.01Å; V242-R258 HydrophobicContact CG1-CB 3.87Å; V242-R258 HydrophobicContact CG1-CG 3.68Å; R256-R258 PolarHBondContact O-N 2.86Å; R258-N417 WeakPolarHBondContact CD-O 3.5Å; R258-N417 WeakPolarHBondContact CD-OD1 3.15Å; R258-N417 PolarHBondContact NH1-OD1 3.1Å; R258-E419 IonicContact NH2-OE2 3.86Å
259	T	94.8	Very high	85.6	Confident	11 Å²	11	42.3 Å²	42.3	7%	0.067	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-79.8	164.6	173.3	62.7	0	0	0	0	111	W222 N226 R231 R257 E275 Y311	W222-T259 HydrophobicContact CH2-CG2 4Å; W222-T259 HydrophobicContact CZ2-CG2 3.59Å; N226-T259 WeakPolarHBondContact OD1-CA 3.33Å; N226-T259 WeakPolarHBondContact OD1-CB 3.46Å; R231-T259 HydrophobicContact CB-CG2 4.36Å; R257-T259 PolarHBondContact O-N 3.05Å; T259-E275 WeakPolarHBondContact CB-OE2 3.19Å; T259-E275 WeakPolarHBondContact CG2-OE2 3.34Å; T259-E275 WeakPolarHBondContact OG1-CB 3.2Å; T259-E275 PolarHBondContact OG1-OE2 3.24Å; T259-Y311 HydrophobicContact CG2-CE1 4.1Å
260	V	95.4	Very high	87.6	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.006	19%	0.192	C	C	.	.			trans	-105.6	144.6	174.3	-52.5	0	0	0	0	109.8	W222 I225 N226 L229 E419 Y421	W222-V260 VanDerWaalsContact CD1-O 3.31Å; W222-V260 PolarHBondContact NE1-O 2.78Å; W222-V260 VanDerWaalsContact NE1-O 3.12Å; I225-V260 HydrophobicContact CB-CG2 4.33Å; I225-V260 HydrophobicContact CG1-CG2 3.6Å; I225-V260 HydrophobicContact CG2-CG2 3.68Å; N226-V260 PolarHBondContact ND2-O 2.94Å; N226-V260 PolarHBondContact OD1-N 2.93Å; L229-V260 HydrophobicContact CD1-CB 4.27Å; L229-V260 HydrophobicContact CD1-CG1 3.69Å; L229-V260 HydrophobicContact CD1-CG2 3.55Å; V260-E419 CarbonylContact C-O 3.49Å; V260-E419 WeakPolarHBondContact CA-O 3.37Å; V260-E419 HydrophobicContact CB-CB 4.47Å; V260-E419 HydrophobicContact CB-CG 4.48Å; V260-E419 HydrophobicContact CG1-CB 4.04Å; V260-E419 HydrophobicContact CG1-CG 3.93Å; V260-Y421 HydrophobicContact CB-CD2 4.33Å; V260-Y421 HydrophobicContact CG1-CE2 4.5Å; V260-Y421 HydrophobicContact CG2-CD2 4.07Å
261	G	96.9	Very high	89.4	Confident	3 Å²	3	25.8 Å²	25.8	3%	0.031	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	162.2	168.2	0	0	0	0	0	111.9	A273 E419 F420 Y421	G261-A273 CarbonylContact C-O 3.54Å; G261-A273 WeakPolarHBondContact CA-O 3.47Å; G261-E419 PolarHBondContact N-O 2.89Å; G261-F420 CarbonylContact O-C 3.5Å; G261-F420 VanDerWaalsContact O-CA 3.31Å; G261-F420 WeakPolarHBondContact O-CA 3.44Å; G261-Y421 PolarHBondContact O-N 2.93Å
262	I	96.2	Very high	90.9	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	147.9	174.8	62.5	94.6	0	0	0	110.7	A221 W222 I225 I272 A273 Y421 F423	A221-I262 HydrophobicContact CB-CD1 3.58Å; A221-I262 HydrophobicContact CB-CG1 4.08Å; W222-I262 HydrophobicContact CB-CG1 4.15Å; I225-I262 HydrophobicContact CB-CG2 3.96Å; I225-I262 HydrophobicContact CG1-CG2 4.5Å; I225-I262 HydrophobicContact CG2-CG2 3.15Å; I262-I272 VanDerWaalsContact O-CA 3.31Å; I262-I272 WeakPolarHBondContact O-CA 3.41Å; I262-A273 HydrophobicContact CD1-CB 3.96Å; I262-A273 HydrophobicContact CG1-CB 3.86Å; I262-A273 PolarHBondContact N-O 3.36Å; I262-A273 PolarHBondContact O-N 3.33Å; I262-Y421 CarbonylContact C-O 3.22Å; I262-Y421 WeakPolarHBondContact CA-O 3.35Å; I262-F423 HydrophobicContact CB-CD2 4.47Å; I262-F423 HydrophobicContact CB-CE2 4.15Å; I262-F423 HydrophobicContact CG2-CE2 3.86Å
263	M	95.7	Very high	92.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	126.8	163.1	-67	175.9	-76.5	0	0	107.9	Q271 I272 F420 Y421 G422 F423 F426 L492 F496 F498 L505	M263-Q271 CarbonylContact C-O 3.47Å; M263-Q271 VanDerWaalsContact CA-O 3.28Å; M263-Q271 WeakPolarHBondContact CA-O 3.5Å; M263-I272 HydrophobicContact CG-CB 4.1Å; M263-I272 HydrophobicContact CG-CD1 3.92Å; M263-I272 HydrophobicContact CG-CG1 3.78Å; M263-I272 HydrophobicContact SD-CD1 4.19Å; M263-F420 HydrophobicContact CE-CB 4.12Å; M263-F420 HydrophobicContact CE-CD1 4.19Å; M263-F420 HydrophobicContact CE-CG 4.42Å; M263-F420 HydrophobicContact CG-CD1 4.37Å; M263-Y421 PolarHBondContact N-O 2.9Å; M263-G422 CarbonylContact O-C 3.51Å; M263-G422 WeakPolarHBondContact O-CA 3.44Å; M263-F423 PolarHBondContact O-N 2.83Å; M263-F426 HydrophobicContact CB-CD2 4.08Å; M263-F426 HydrophobicContact CB-CE2 3.51Å; M263-F426 HydrophobicContact CB-CZ 3.82Å; M263-F426 HydrophobicContact SD-CE1 4.45Å; M263-F426 HydrophobicContact SD-CZ 4.1Å; M263-L492 HydrophobicContact CE-CD1 3.77Å; M263-L492 HydrophobicContact SD-CD1 3.94Å; M263-F496 HydrophobicContact SD-CD2 3.84Å; M263-F496 HydrophobicContact SD-CE2 4.19Å; M263-F498 HydrophobicContact CE-CE1 4.12Å; M263-F498 HydrophobicContact CE-CE2 4.26Å; M263-F498 HydrophobicContact CE-CZ 3.85Å; M263-F498 HydrophobicContact SD-CE2 3.98Å; M263-F498 HydrophobicContact SD-CZ 4.1Å; M263-L505 HydrophobicContact CE-CD1 3.54Å; M263-L505 HydrophobicContact CE-CD2 4.2Å
264	D	93.6	Very high	92.8	Very high	16 Å²	16	13.4 Å²	13.4	9%	0.086	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	117	177.5	-171.8	8.7	0	0	0	109	L270 Q271 F423 S424	D264-L270 CarbonylContact O-C 3.57Å; D264-L270 WeakPolarHBondContact O-CA 3.38Å; D264-Q271 HydrophobicContact CB-CB 4.5Å; D264-Q271 PolarHBondContact N-O 3.49Å; D264-Q271 PolarHBondContact O-N 2.95Å; D264-Q271 PolarHBondContact O-OE1 3.3Å; D264-Q271 VanDerWaalsContact O-OE1 3.14Å; D264-F423 HydrophobicContact CB-CB 4.28Å; D264-S424 WeakPolarHBondContact OD1-CB 3.23Å; D264-S424 PolarHBondContact OD1-OG 2.86Å
265	M	94.1	Very high	93.3	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	95.7	177	-177	-176.3	-64.5	0	0	108.9	L270 S424 E425 F426 V491	M265-L270 HydrophobicContact CB-CD1 3.88Å; M265-L270 HydrophobicContact CE-CD1 4.12Å; M265-L270 HydrophobicContact CG-CD1 4.37Å; M265-S424 WeakPolarHBondContact O-CB 3.44Å; M265-E425 HydrophobicContact CB-CB 3.94Å; M265-E425 HydrophobicContact CG-CB 3.84Å; M265-E425 HydrophobicContact CG-CG 4.22Å; M265-E425 WeakPolarHBondContact O-CB 3.26Å; M265-E425 VanDerWaalsContact O-CG 3.25Å; M265-E425 WeakPolarHBondContact O-CG 3.34Å; M265-E425 PolarHBondContact O-N 2.8Å; M265-E425 HydrophobicContact SD-CB 3.79Å; M265-E425 HydrophobicContact SD-CG 4.41Å; M265-F426 HydrophobicContact CB-CD2 3.84Å; M265-F426 HydrophobicContact CB-CE2 3.71Å; M265-F426 HydrophobicContact CE-CE2 4.36Å; M265-F426 HydrophobicContact CE-CZ 4.24Å; M265-V491 HydrophobicContact CE-CB 4Å; M265-V491 HydrophobicContact CE-CG1 3.91Å; M265-V491 HydrophobicContact CE-CG2 3.91Å
266	G	89.8	Confident	93.6	Very high	19 Å²	19	9.6 Å²	9.6	20%	0.196	5%	0.054	C	C	.	.			trans	-77.3	-167.8	175.1	0	0	0	0	0	113	S269 G322 G323	G266-S269 PolarHBondContact N-O 2.91Å; G266-G322 CarbonylContact O-C 3.54Å; G266-G322 WeakPolarHBondContact O-CA 3.26Å; G266-G323 PolarHBondContact O-N 3.28Å
267	G	89.1	Confident	93.6	Very high	14 Å²	14	11.1 Å²	11.1	14%	0.144	7%	0.065	C	C	.	.	S	Bend	trans	-69	-40	175.2	0	0	0	0	0	113.2	G322 N324 M325	G267-G322 CarbonylContact O-C 3.5Å; G267-G322 VanDerWaalsContact O-C 3.26Å; G267-N324 WeakPolarHBondContact O-CB 3.48Å; G267-N324 PolarHBondContact O-N 3.15Å; G267-N324 VanDerWaalsContact O-N 3.08Å; G267-M325 PolarHBondContact O-N 3.14Å; G267-M325 VanDerWaalsContact O-N 3.1Å
268	A	92	Very high	93.1	Very high	4 Å²	4	11.4 Å²	11.4	3%	0.033	8%	0.076	C	C	.	.	S	Bend	trans	-111.4	-28.2	-172.1	0	0	0	0	0	115	A175 L179 G320 G322 M325	A175-A268 HydrophobicContact CB-CB 3.83Å; L179-A268 HydrophobicContact CD1-CB 4.29Å; A268-G320 VanDerWaalsContact O-CA 3.28Å; A268-G320 WeakPolarHBondContact O-CA 3.3Å; A268-G320 PolarHBondContact O-N 3.4Å; A268-G322 PolarHBondContact O-N 2.88Å; A268-M325 HydrophobicContact CB-CG 3.84Å
269	S	93.3	Very high	92.4	Very high	4 Å²	4	13 Å²	13	3%	0.028	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	164.9	-179.2	56.7	0	0	0	0	112.2	A175 G266 Q271 F318 G322	A175-S269 WeakPolarHBondContact CB-OG 3.31Å; G266-S269 PolarHBondContact N-O 2.91Å; S269-Q271 PolarHBondContact OG-NE2 2.92Å; S269-Q271 PolarHBondContact OG-OE1 2.99Å; S269-F318 WeakPolarHBondContact CA-O 3.27Å; S269-G322 WeakPolarHBondContact O-CA 3.32Å
270	L	94.6	Very high	91.6	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	134.2	170.6	165.7	70.3	0	0	0	108.6	D264 M265 T317 F318 F321 F426 V491 F496	D264-L270 CarbonylContact O-C 3.57Å; D264-L270 WeakPolarHBondContact O-CA 3.38Å; M265-L270 HydrophobicContact CB-CD1 3.88Å; M265-L270 HydrophobicContact CE-CD1 4.12Å; M265-L270 HydrophobicContact CG-CD1 4.37Å; L270-T317 CarbonylContact O-C 3.58Å; L270-T317 WeakPolarHBondContact O-CA 3.47Å; L270-F318 HydrophobicContact CB-CB 4.38Å; L270-F318 HydrophobicContact CD2-CD2 4.07Å; L270-F318 HydrophobicContact CG-CD2 4.21Å; L270-F318 PolarHBondContact N-O 3.05Å; L270-F318 VanDerWaalsContact N-O 3.1Å; L270-F318 PolarHBondContact O-N 3.37Å; L270-F321 HydrophobicContact CB-CB 3.84Å; L270-F321 HydrophobicContact CD2-CB 4.33Å; L270-F426 HydrophobicContact CD1-CE2 3.82Å; L270-F426 HydrophobicContact CD1-CZ 4.17Å; L270-V491 HydrophobicContact CD1-CG1 4.27Å; L270-V491 HydrophobicContact CD2-CB 4.48Å; L270-V491 HydrophobicContact CD2-CG1 3.38Å; L270-V491 HydrophobicContact CD2-CG2 4.23Å; L270-V491 HydrophobicContact CG-CG1 4.47Å; L270-F496 HydrophobicContact CD1-CE2 4.27Å; L270-F496 HydrophobicContact CD2-CE2 3.85Å; L270-F496 HydrophobicContact CD2-CZ 3.62Å; L270-F496 HydrophobicContact CG-CE2 4.32Å; L270-F496 HydrophobicContact CG-CZ 4.1Å
271	Q	94.6	Very high	90.8	Very high	3 Å²	3	20.5 Å²	20.5	1%	0.014	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	144	177.8	-69.6	84.4	-17.6	0	0	109.4	E217 M263 D264 S269 T317	E217-Q271 PolarHBondContact OE1-NE2 3.2Å; E217-Q271 PolarHBondContact OE2-NE2 3.11Å; M263-Q271 CarbonylContact C-O 3.47Å; M263-Q271 VanDerWaalsContact CA-O 3.28Å; M263-Q271 WeakPolarHBondContact CA-O 3.5Å; D264-Q271 HydrophobicContact CB-CB 4.5Å; D264-Q271 PolarHBondContact N-O 3.49Å; D264-Q271 PolarHBondContact O-N 2.95Å; D264-Q271 PolarHBondContact O-OE1 3.3Å; D264-Q271 VanDerWaalsContact O-OE1 3.14Å; S269-Q271 PolarHBondContact OG-NE2 2.92Å; S269-Q271 PolarHBondContact OG-OE1 2.99Å; Q271-T317 HydrophobicContact CG-CG2 3.93Å
272	I	95.9	Very high	90.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	134.5	166.2	-179.3	171.5	0	0	0	108.1	I262 M263 Y274 Y314 V315 T316 F318 F420 F496 F498	I262-I272 VanDerWaalsContact O-CA 3.31Å; I262-I272 WeakPolarHBondContact O-CA 3.41Å; M263-I272 HydrophobicContact CG-CB 4.1Å; M263-I272 HydrophobicContact CG-CD1 3.92Å; M263-I272 HydrophobicContact CG-CG1 3.78Å; M263-I272 HydrophobicContact SD-CD1 4.19Å; I272-Y274 HydrophobicContact CD1-CD1 4.25Å; I272-Y274 HydrophobicContact CD1-CE1 3.98Å; I272-Y274 HydrophobicContact CG1-CD1 3.99Å; I272-Y274 HydrophobicContact CG1-CE1 4.06Å; I272-Y314 HydrophobicContact CG2-CE1 4.11Å; I272-V315 WeakPolarHBondContact O-CA 3.4Å; I272-T316 HydrophobicContact CG2-CG2 3.34Å; I272-T316 PolarHBondContact N-O 2.95Å; I272-T316 PolarHBondContact O-N 2.96Å; I272-T316 VanDerWaalsContact O-N 3.09Å; I272-F318 HydrophobicContact CG2-CE2 4.24Å; I272-F420 HydrophobicContact CD1-CE1 4.26Å; I272-F420 HydrophobicContact CG1-CE1 4.3Å; I272-F496 HydrophobicContact CB-CE1 4.39Å; I272-F496 HydrophobicContact CB-CE2 4.25Å; I272-F496 HydrophobicContact CB-CZ 3.98Å; I272-F496 HydrophobicContact CD1-CB 4.48Å; I272-F496 HydrophobicContact CD1-CD1 4.09Å; I272-F496 HydrophobicContact CD1-CD2 4.01Å; I272-F496 HydrophobicContact CD1-CE1 4.31Å; I272-F496 HydrophobicContact CD1-CE2 4.19Å; I272-F496 HydrophobicContact CD1-CG 3.95Å; I272-F496 HydrophobicContact CD1-CZ 4.34Å; I272-F496 HydrophobicContact CG2-CD1 4.42Å; I272-F496 HydrophobicContact CG2-CE1 3.7Å; I272-F496 HydrophobicContact CG2-CE2 4.41Å; I272-F496 HydrophobicContact CG2-CZ 3.68Å; I272-F498 HydrophobicContact CD1-CE2 4.31Å
273	A	96.9	Very high	89.6	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	137.1	177	0	0	0	0	0	112.1	W222 G261 I262 V313 Y314 V315	W222-A273 HydrophobicContact CB-CB 3.88Å; W222-A273 HydrophobicContact CG-CB 4.41Å; G261-A273 CarbonylContact C-O 3.54Å; G261-A273 WeakPolarHBondContact CA-O 3.47Å; I262-A273 HydrophobicContact CD1-CB 3.96Å; I262-A273 HydrophobicContact CG1-CB 3.86Å; I262-A273 PolarHBondContact N-O 3.36Å; I262-A273 PolarHBondContact O-N 3.33Å; A273-V313 HydrophobicContact CB-CG1 4.13Å; A273-Y314 CarbonylContact C-O 3.59Å; A273-Y314 WeakPolarHBondContact CA-O 3.38Å; A273-V315 HydrophobicContact CB-CB 4.3Å; A273-V315 HydrophobicContact CB-CG1 4.13Å; A273-V315 HydrophobicContact CB-CG2 3.7Å
274	Y	96.4	Very high	89.2	Confident	10 Å²	10	29.9 Å²	29.9	4%	0.039	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	152.5	175.9	51.5	-88	0	0	0	111.2	I272 V276 V313 Y314 Q410 A411 I413 F420	I272-Y274 HydrophobicContact CD1-CD1 4.25Å; I272-Y274 HydrophobicContact CD1-CE1 3.98Å; I272-Y274 HydrophobicContact CG1-CD1 3.99Å; I272-Y274 HydrophobicContact CG1-CE1 4.06Å; Y274-V276 HydrophobicContact CD2-CG2 4.46Å; Y274-V276 HydrophobicContact CE2-CG2 4.36Å; Y274-V313 CarbonylContact O-C 3.5Å; Y274-V313 WeakPolarHBondContact O-CA 3.49Å; Y274-V313 WeakPolarHBondContact O-CG1 3.38Å; Y274-Y314 AromaticContact CD1-CD1 3.88Å; Y274-Y314 HydrophobicContact CD1-CD1 3.88Å; Y274-Y314 AromaticContact CE1-CD1 3.18Å; Y274-Y314 HydrophobicContact CE1-CD1 3.18Å; Y274-Y314 AromaticContact CE1-CE1 3.66Å; Y274-Y314 HydrophobicContact CE1-CE1 3.66Å; Y274-Y314 HydrophobicContact CE1-CG 4.06Å; Y274-Y314 HydrophobicContact CE2-CD1 4.12Å; Y274-Y314 HydrophobicContact CE2-CG 4.18Å; Y274-Y314 AromaticContact CZ-CD1 3.32Å; Y274-Y314 AromaticContact CZ-CE1 3.9Å; Y274-Y314 AromaticContact CZ-CG 3.75Å; Y274-Y314 PolarHBondContact N-O 3.42Å; Y274-Y314 PolarHBondContact O-N 3.47Å; Y274-Y314 WeakPolarHBondContact OH-CD1 3.32Å; Y274-Q410 VanDerWaalsContact OH-CG 3.25Å; Y274-Q410 WeakPolarHBondContact OH-CG 3.31Å; Y274-A411 HydrophobicContact CE2-CB 4.17Å; Y274-A411 PolarHBondContact OH-O 3.03Å; Y274-I413 HydrophobicContact CD1-CD1 4.48Å; Y274-I413 HydrophobicContact CD2-CG1 4.32Å; Y274-I413 HydrophobicContact CE1-CD1 3.85Å; Y274-I413 HydrophobicContact CE1-CG1 3.96Å; Y274-I413 HydrophobicContact CE2-CD1 4.47Å; Y274-I413 HydrophobicContact CE2-CG1 3.66Å; Y274-I413 VanDerWaalsContact CZ-CG1 3.46Å; Y274-F420 AromaticContact CD1-CE1 3.73Å; Y274-F420 HydrophobicContact CD1-CE1 3.73Å; Y274-F420 AromaticContact CD1-CZ 3.68Å; Y274-F420 HydrophobicContact CD1-CZ 3.68Å; Y274-F420 HydrophobicContact CE1-CZ 4.42Å; Y274-F420 HydrophobicContact CG-CE1 4.14Å; Y274-F420 AromaticContact CG-CZ 3.79Å; Y274-F420 HydrophobicContact CG-CZ 3.79Å
275	E	95.2	Very high	88.8	Confident	18 Å²	18	33.7 Å²	33.7	8%	0.084	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	141.2	177	-174.4	177.3	-172.4	0	0	111.1	W222 R256 T259 P277 R312	W222-E275 HydrophobicContact CZ2-CB 4.01Å; R256-E275 IonicContact CZ-OE1 2.91Å; R256-E275 IonicContact NE-OE1 3.59Å; R256-E275 PolarHBondContact NE-OE1 3.39Å; R256-E275 IonicContact NH2-OE1 3.83Å; R256-E275 PolarHBondContact NH2-OE1 2.96Å; T259-E275 WeakPolarHBondContact CB-OE2 3.19Å; T259-E275 WeakPolarHBondContact CG2-OE2 3.34Å; T259-E275 WeakPolarHBondContact OG1-CB 3.2Å; T259-E275 PolarHBondContact OG1-OE2 3.24Å; E275-P277 WeakPolarHBondContact O-CD 3.28Å; E275-R312 WeakPolarHBondContact CA-O 3.38Å
276	V	92.2	Very high	88.4	Confident	13 Å²	13	40.6 Å²	40.6	8%	0.079	26%	0.261	C	S	.	.			trans	-112.2	91.5	170.2	-172.3	0	0	0	0	107.7	Y274 I280 L295 R312 A411	Y274-V276 HydrophobicContact CD2-CG2 4.46Å; Y274-V276 HydrophobicContact CE2-CG2 4.36Å; V276-I280 HydrophobicContact CB-CD1 4.38Å; V276-I280 HydrophobicContact CG1-CD1 3.71Å; V276-I280 HydrophobicContact CG1-CG1 3.63Å; V276-L295 HydrophobicContact CG2-CD2 4.13Å; V276-R312 HydrophobicContact CB-CG 4.49Å; V276-R312 PolarHBondContact N-O 3.22Å; V276-A411 HydrophobicContact CG2-CB 3.77Å
277	P	85.9	Confident	88	Confident	44 Å²	44	42 Å²	42	29%	0.286	26%	0.263	S	S	.	.			trans	-74.4	-30.1	-168.9	27.7	-34.8	0	0	0	113.2	V242 V244 T245 E275	V242-P277 HydrophobicContact CG2-CB 4.49Å; V244-P277 WeakPolarHBondContact CA-O 3.18Å; V244-P277 HydrophobicContact CG2-CB 3.91Å; T245-P277 PolarHBondContact N-O 2.95Å; E275-P277 WeakPolarHBondContact O-CD 3.28Å
278	G	81.1	Confident	87.9	Confident	32 Å²	32	44.8 Å²	44.8	33%	0.33	27%	0.272	S	S	.	.	S	Bend	trans	-89.1	172	-178.3	0	0	0	0	0	114.3	R312	G278-R312 PolarHBondContact O-NH1 2.87Å
279	A	77.6	Confident	87.6	Confident	82 Å²	82	50.7 Å²	50.7	68%	0.678	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-65.4	138	166.1	0	0	0	0	0	109.9	T245	T245-A279 PolarHBondContact OG1-N 2.81Å
280	I	77.1	Confident	87.2	Confident	35 Å²	35	52.5 Å²	52.5	18%	0.179	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-96.2	122.5	177.8	-56.2	172	0	0	0	108.1	V276 F282 L295 Y409	V276-I280 HydrophobicContact CB-CD1 4.38Å; V276-I280 HydrophobicContact CG1-CD1 3.71Å; V276-I280 HydrophobicContact CG1-CG1 3.63Å; I280-F282 HydrophobicContact CB-CE1 4.48Å; I280-F282 HydrophobicContact CB-CE2 4.1Å; I280-F282 HydrophobicContact CB-CZ 3.97Å; I280-F282 HydrophobicContact CD1-CZ 4.33Å; I280-F282 HydrophobicContact CG2-CD1 3.94Å; I280-F282 HydrophobicContact CG2-CD2 4.28Å; I280-F282 HydrophobicContact CG2-CE1 3.51Å; I280-F282 HydrophobicContact CG2-CE2 3.88Å; I280-F282 HydrophobicContact CG2-CG 4.32Å; I280-F282 HydrophobicContact CG2-CZ 3.48Å; I280-F282 VanDerWaalsContact CG2-CZ 3.48Å; I280-L295 HydrophobicContact CD1-CD1 3.44Å; I280-L295 VanDerWaalsContact CD1-CD1 3.44Å; I280-L295 HydrophobicContact CD1-CD2 3.78Å; I280-L295 HydrophobicContact CD1-CG 4.27Å; I280-Y409 WeakPolarHBondContact CG2-OH 3.28Å
281	T	79.6	Confident	86.7	Confident	133 Å²	133	52.5 Å²	52.5	82%	0.816	31%	0.314	S	S	*	.			trans	-93.1	115	168.7	-51.5	0	0	0	0	108.4
282	F	84	Confident	86.3	Confident	49 Å²	49	57.6 Å²	57.6	22%	0.215	34%	0.336	C	S	.	.			trans	-89	140.8	173	-58.9	-76.2	0	0	0	109.8	I280 S284 E287 E288 L295 Y409	I280-F282 HydrophobicContact CB-CE1 4.48Å; I280-F282 HydrophobicContact CB-CE2 4.1Å; I280-F282 HydrophobicContact CB-CZ 3.97Å; I280-F282 HydrophobicContact CD1-CZ 4.33Å; I280-F282 HydrophobicContact CG2-CD1 3.94Å; I280-F282 HydrophobicContact CG2-CD2 4.28Å; I280-F282 HydrophobicContact CG2-CE1 3.51Å; I280-F282 HydrophobicContact CG2-CE2 3.88Å; I280-F282 HydrophobicContact CG2-CG 4.32Å; I280-F282 HydrophobicContact CG2-CZ 3.48Å; I280-F282 VanDerWaalsContact CG2-CZ 3.48Å; F282-S284 VanDerWaalsContact C-N 3.32Å; F282-E287 HydrophobicContact CD1-CG 4.21Å; F282-E288 HydrophobicContact CB-CB 3.94Å; F282-E288 HydrophobicContact CD1-CB 4.32Å; F282-E288 HydrophobicContact CD2-CB 3.76Å; F282-E288 HydrophobicContact CD2-CG 3.63Å; F282-E288 HydrophobicContact CE2-CB 4.33Å; F282-E288 HydrophobicContact CE2-CG 3.87Å; F282-E288 HydrophobicContact CG-CB 3.74Å; F282-E288 HydrophobicContact CG-CG 4.16Å; F282-L295 HydrophobicContact CZ-CD1 4.1Å; F282-Y409 HydrophobicContact CD1-CE2 4.4Å; F282-Y409 HydrophobicContact CE1-CE1 4.18Å; F282-Y409 HydrophobicContact CE1-CE2 4.39Å; F282-Y409 AromaticContact CE1-CZ 3.83Å
283	S	83.7	Confident	85.9	Confident	108 Å²	108	61.1 Å²	61.1	76%	0.755	36%	0.361	S	S	*	.	S	Bend	trans	-79.9	-18.7	-178.5	-37.9	0	0	0	0	112.1	E287	S283-E287 WeakPolarHBondContact CA-OE2 3.37Å; S283-E287 WeakPolarHBondContact CB-OE2 3.46Å; S283-E287 PolarHBondContact N-OE2 3.25Å; S283-E287 PolarHBondContact OG-OE2 2.96Å
284	S	85.8	Confident	85.6	Confident	44 Å²	44	61.7 Å²	61.7	31%	0.308	36%	0.364	S	S	.	.	S	Bend	trans	-155.3	159	179.5	65.7	0	0	0	0	112.2	F282 Q286 E287 E288	F282-S284 VanDerWaalsContact C-N 3.32Å; S284-Q286 PolarHBondContact O-N 3.41Å; S284-E287 WeakPolarHBondContact O-CB 3.31Å; S284-E287 PolarHBondContact O-N 2.83Å; S284-E287 VanDerWaalsContact O-N 3.16Å; S284-E287 WeakPolarHBondContact OG-CB 3.36Å; S284-E287 PolarHBondContact OG-N 3.32Å; S284-E288 PolarHBondContact O-N 3.12Å
285	P	86.9	Confident	85.3	Confident	96 Å²	96	62.3 Å²	62.3	62%	0.623	37%	0.368	S	S	*	.	H	α-helix	trans	-59.1	-32.7	174	-25.4	35	0	0	0	114	E288 E289	P285-E288 PolarHBondContact O-N 3.46Å; P285-E289 PolarHBondContact O-N 3.04Å
286	Q	84.4	Confident	85.2	Confident	144 Å²	144	62 Å²	62	67%	0.673	37%	0.368	S	S	*	.	H	α-helix	trans	-67.5	-39.6	177	-66	80.2	0.5	0	0	111.4	S284 E288 A290	S284-Q286 PolarHBondContact O-N 3.41Å; Q286-E288 VanDerWaalsContact C-N 3.35Å; Q286-A290 WeakPolarHBondContact O-CB 3.37Å; Q286-A290 PolarHBondContact O-N 3.43Å; Q286-A290 VanDerWaalsContact O-N 3.08Å
287	E	82.8	Confident	85.2	Confident	50 Å²	50	67.1 Å²	67.1	23%	0.234	39%	0.392	C	S	.	.	H	α-helix	trans	-67.7	-36.5	174.5	-168.4	-178.9	-169.2	0	0	111.5	F282 S283 S284 A290 G291 Y409	F282-E287 HydrophobicContact CD1-CG 4.21Å; S283-E287 WeakPolarHBondContact CA-OE2 3.37Å; S283-E287 WeakPolarHBondContact CB-OE2 3.46Å; S283-E287 PolarHBondContact N-OE2 3.25Å; S283-E287 PolarHBondContact OG-OE2 2.96Å; S284-E287 WeakPolarHBondContact O-CB 3.31Å; S284-E287 PolarHBondContact O-N 2.83Å; S284-E287 VanDerWaalsContact O-N 3.16Å; S284-E287 WeakPolarHBondContact OG-CB 3.36Å; S284-E287 PolarHBondContact OG-N 3.32Å; E287-A290 PolarHBondContact O-N 3.44Å; E287-G291 PolarHBondContact O-N 2.99Å; E287-Y409 HydrophobicContact CG-CD2 3.67Å; E287-Y409 HydrophobicContact CG-CE2 3.78Å; E287-Y409 VanDerWaalsContact OE1-CE2 3.31Å; E287-Y409 WeakPolarHBondContact OE1-CE2 3.29Å
288	E	86.1	Confident	85.4	Confident	72 Å²	72	66.2 Å²	66.2	34%	0.336	38%	0.383	S	S	.	.	H	α-helix	trans	-62.2	-46.6	174.3	-176.7	-176.8	167.1	0	0	112.1	F282 S284 P285 Q286 G291 K292	F282-E288 HydrophobicContact CB-CB 3.94Å; F282-E288 HydrophobicContact CD1-CB 4.32Å; F282-E288 HydrophobicContact CD2-CB 3.76Å; F282-E288 HydrophobicContact CD2-CG 3.63Å; F282-E288 HydrophobicContact CE2-CB 4.33Å; F282-E288 HydrophobicContact CE2-CG 3.87Å; F282-E288 HydrophobicContact CG-CB 3.74Å; F282-E288 HydrophobicContact CG-CG 4.16Å; S284-E288 PolarHBondContact O-N 3.12Å; P285-E288 PolarHBondContact O-N 3.46Å; Q286-E288 VanDerWaalsContact C-N 3.35Å; E288-G291 PolarHBondContact O-N 3.34Å; E288-K292 HydrophobicContact CG-CD 4.38Å; E288-K292 WeakPolarHBondContact O-CG 3.4Å; E288-K292 PolarHBondContact O-N 2.59Å; E288-K292 WeakPolarHBondContact OE1-CE 3.41Å; E288-K292 IonicContact OE1-NZ 3.95Å; E288-K292 PolarHBondContact OE1-NZ 3.43Å
289	E	86.4	Confident	85.9	Confident	128 Å²	128	66.1 Å²	66.1	60%	0.598	38%	0.375	S	S	*	.	H	α-helix	trans	-63.8	-43.5	177.6	-172.3	58.4	-151.9	0	0	111.5	P285 G291 K292 S293	P285-E289 PolarHBondContact O-N 3.04Å; E289-G291 VanDerWaalsContact C-N 3.3Å; E289-G291 PolarHBondContact O-N 3.13Å; E289-K292 PolarHBondContact O-N 2.61Å; E289-S293 PolarHBondContact O-N 3.26Å
290	A	84	Confident	86.5	Confident	41 Å²	41	62.4 Å²	62.4	34%	0.339	34%	0.344	S	S	.	.	H	α-helix	trans	-59.2	-42.7	172.8	0	0	0	0	0	111.4	Q286 E287 S293	Q286-A290 WeakPolarHBondContact O-CB 3.37Å; Q286-A290 PolarHBondContact O-N 3.43Å; Q286-A290 VanDerWaalsContact O-N 3.08Å; E287-A290 PolarHBondContact O-N 3.44Å; A290-S293 PolarHBondContact O-N 3.02Å; A290-S293 PolarHBondContact O-OG 3.22Å
291	G	84.7	Confident	86.9	Confident	0 Å²	0	61 Å²	61	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-62.3	-46.7	176.3	0	0	0	0	0	113.3	E287 E288 E289 S293 V294 L295	E287-G291 PolarHBondContact O-N 2.99Å; E288-G291 PolarHBondContact O-N 3.34Å; E289-G291 VanDerWaalsContact C-N 3.3Å; E289-G291 PolarHBondContact O-N 3.13Å; G291-S293 PolarHBondContact O-N 3.35Å; G291-V294 VanDerWaalsContact O-CG2 3.23Å; G291-V294 WeakPolarHBondContact O-CG2 3.27Å; G291-V294 PolarHBondContact O-N 2.92Å; G291-V294 VanDerWaalsContact O-N 3.09Å; G291-L295 WeakPolarHBondContact O-CD1 3.44Å; G291-L295 VanDerWaalsContact O-CG 3.23Å; G291-L295 WeakPolarHBondContact O-CG 3.43Å; G291-L295 PolarHBondContact O-N 3.41Å
292	K	85.4	Confident	87	Confident	110 Å²	110	55.1 Å²	55.1	48%	0.478	30%	0.302	S	S	.	.	H	α-helix	trans	-57	-37.4	177.7	-77	173.4	-178	164.8	0	112.3	E288 E289 V294 L295	E288-K292 HydrophobicContact CG-CD 4.38Å; E288-K292 WeakPolarHBondContact O-CG 3.4Å; E288-K292 PolarHBondContact O-N 2.59Å; E288-K292 WeakPolarHBondContact OE1-CE 3.41Å; E288-K292 IonicContact OE1-NZ 3.95Å; E288-K292 PolarHBondContact OE1-NZ 3.43Å; E289-K292 PolarHBondContact O-N 2.61Å; K292-V294 VanDerWaalsContact C-N 3.28Å; K292-V294 PolarHBondContact O-N 3.5Å; K292-L295 PolarHBondContact O-N 3.39Å
293	S	87	Confident	86.8	Confident	75 Å²	75	55.3 Å²	55.3	52%	0.524	31%	0.305	S	S	.	.	H	α-helix	trans	-62.7	-34.8	178.8	79.4	0	0	0	0	112.9	K215 E289 A290 G291	K215-S293 PolarHBondContact NZ-O 2.97Å; E289-S293 PolarHBondContact O-N 3.26Å; A290-S293 PolarHBondContact O-N 3.02Å; A290-S293 PolarHBondContact O-OG 3.22Å; G291-S293 PolarHBondContact O-N 3.35Å
294	V	90.4	Very high	86.5	Confident	12 Å²	12	55.8 Å²	55.8	7%	0.073	30%	0.303	C	S	.	.	H	α-helix	trans	-100.4	-4.5	-176.5	-62.3	0	0	0	0	114	G291 K292 Y314 V315 I408 Y409	G291-V294 VanDerWaalsContact O-CG2 3.23Å; G291-V294 WeakPolarHBondContact O-CG2 3.27Å; G291-V294 PolarHBondContact O-N 2.92Å; G291-V294 VanDerWaalsContact O-N 3.09Å; K292-V294 VanDerWaalsContact C-N 3.28Å; K292-V294 PolarHBondContact O-N 3.5Å; V294-Y314 HydrophobicContact CB-CD2 4.27Å; V294-Y314 HydrophobicContact CB-CE2 3.98Å; V294-Y314 HydrophobicContact CG2-CD2 3.84Å; V294-Y314 HydrophobicContact CG2-CE2 3.57Å; V294-V315 PolarHBondContact O-N 3.21Å; V294-I408 HydrophobicContact CG1-CG2 4.12Å; V294-Y409 HydrophobicContact CG2-CD1 3.8Å
295	L	91.6	Very high	86.1	Confident	22 Å²	22	61.8 Å²	61.8	12%	0.115	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	128.5	173.7	-68.4	164	0	0	0	110.3	K215 V276 I280 F282 G291 K292 R312	K215-L295 WeakPolarHBondContact CE-O 3.45Å; K215-L295 PolarHBondContact NZ-O 3.49Å; V276-L295 HydrophobicContact CG2-CD2 4.13Å; I280-L295 HydrophobicContact CD1-CD1 3.44Å; I280-L295 VanDerWaalsContact CD1-CD1 3.44Å; I280-L295 HydrophobicContact CD1-CD2 3.78Å; I280-L295 HydrophobicContact CD1-CG 4.27Å; F282-L295 HydrophobicContact CZ-CD1 4.1Å; G291-L295 WeakPolarHBondContact O-CD1 3.44Å; G291-L295 VanDerWaalsContact O-CG 3.23Å; G291-L295 WeakPolarHBondContact O-CG 3.43Å; G291-L295 PolarHBondContact O-N 3.41Å; K292-L295 PolarHBondContact O-N 3.39Å; L295-R312 HydrophobicContact CD2-CG 4.14Å
296	A	92.5	Very high	85.8	Confident	11 Å²	11	59.2 Å²	59.2	9%	0.091	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	121.8	172.4	0	0	0	0	0	109.1	V219 F298 R312 V313	V219-A296 HydrophobicContact CG2-CB 3.56Å; A296-F298 HydrophobicContact CB-CD1 4.2Å; A296-F298 HydrophobicContact CB-CE1 4.32Å; A296-R312 WeakPolarHBondContact O-CA 3.48Å; A296-V313 PolarHBondContact N-O 2.97Å; A296-V313 PolarHBondContact O-N 2.82Å
297	E	91.4	Very high	85.8	Confident	122 Å²	122	54.4 Å²	54.4	57%	0.57	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.1	125.7	170.7	-64.4	-169.5	163.3	0	0	109	Y311 R312	E297-Y311 WeakPolarHBondContact CA-O 3.49Å; E297-R312 HydrophobicContact CG-CB 4.23Å; E297-R312 HydrophobicContact CG-CG 4.07Å; E297-R312 IonicContact OE1-CZ 3.1Å; E297-R312 VanDerWaalsContact OE1-CZ 3.31Å; E297-R312 IonicContact OE1-NE 3.96Å; E297-R312 PolarHBondContact OE1-NE 3.43Å; E297-R312 IonicContact OE1-NH2 2.68Å; E297-R312 PolarHBondContact OE1-NH2 3.43Å
298	F	91.5	Very high	85.8	Confident	24 Å²	24	54.3 Å²	54.3	11%	0.105	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	154.7	-179.1	57.2	-89.3	0	0	0	111.6	V219 W222 I223 A296 L300 V310 Y311 V313 F525	V219-F298 HydrophobicContact CG1-CD1 4.09Å; V219-F298 HydrophobicContact CG1-CE1 3.56Å; V219-F298 HydrophobicContact CG1-CE2 4.45Å; V219-F298 HydrophobicContact CG1-CZ 3.77Å; V219-F298 HydrophobicContact CG2-CE1 4.2Å; W222-F298 AromaticContact CE3-CZ 3.93Å; W222-F298 HydrophobicContact CE3-CZ 3.93Å; W222-F298 HydrophobicContact CZ3-CE2 4.2Å; W222-F298 AromaticContact CZ3-CZ 3.78Å; W222-F298 HydrophobicContact CZ3-CZ 3.78Å; I223-F298 HydrophobicContact CD1-CE2 3.89Å; I223-F298 HydrophobicContact CD1-CZ 4.17Å; I223-F298 HydrophobicContact CG1-CE2 3.96Å; I223-F298 HydrophobicContact CG1-CZ 4.07Å; A296-F298 HydrophobicContact CB-CD1 4.2Å; A296-F298 HydrophobicContact CB-CE1 4.32Å; F298-L300 HydrophobicContact CD2-CD2 3.97Å; F298-L300 HydrophobicContact CD2-CG 4Å; F298-L300 HydrophobicContact CE2-CD1 4.18Å; F298-L300 HydrophobicContact CE2-CD2 3.85Å; F298-L300 HydrophobicContact CE2-CG 3.8Å; F298-V310 WeakPolarHBondContact O-CA 3.47Å; F298-Y311 HydrophobicContact CE2-CD2 4.37Å; F298-Y311 PolarHBondContact N-O 3.2Å; F298-Y311 VanDerWaalsContact N-O 3.13Å; F298-Y311 PolarHBondContact O-N 3.04Å; F298-V313 HydrophobicContact CE1-CB 4.12Å; F298-V313 HydrophobicContact CE1-CG2 3.61Å; F298-V313 HydrophobicContact CZ-CG2 3.71Å; F298-F525 HydrophobicContact CB-CE2 4.11Å; F298-F525 HydrophobicContact CD2-CE2 4.21Å; F298-F525 HydrophobicContact CG-CE2 4.35Å
299	N	90.8	Very high	85.9	Confident	30 Å²	30	51.1 Å²	51.1	16%	0.16	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	126.2	171.1	-166.4	-8.4	0	0	0	109.8	G301 D303 Q306 H309 V310	N299-G301 WeakPolarHBondContact OD1-CA 3.46Å; N299-G301 PolarHBondContact OD1-N 2.95Å; N299-D303 PolarHBondContact ND2-O 3.24Å; N299-D303 VanDerWaalsContact ND2-O 3.08Å; N299-Q306 PolarHBondContact ND2-O 3.22Å; N299-H309 WeakPolarHBondContact CA-O 3.35Å; N299-H309 WeakPolarHBondContact OD1-CB 3.38Å; N299-H309 PolarHBondContact OD1-O 2.89Å; N299-V310 HydrophobicContact CB-CG2 4.01Å
300	L	90.6	Very high	86.1	Confident	4 Å²	4	46.8 Å²	46.8	2%	0.021	25%	0.254	C	S	.	.			trans	-86.1	-18.3	171.9	-67.6	176.5	0	0	0	113.3	L112 I223 F232 F298 H309 Y311 F525	L112-L300 HydrophobicContact CD1-CB 4.45Å; L112-L300 HydrophobicContact CD2-CB 4.2Å; L112-L300 WeakPolarHBondContact CD2-O 3.44Å; I223-L300 HydrophobicContact CD1-CD2 3.76Å; I223-L300 HydrophobicContact CG1-CD1 4.36Å; I223-L300 HydrophobicContact CG1-CD2 4.1Å; I223-L300 HydrophobicContact CG2-CD1 4.4Å; I223-L300 HydrophobicContact CG2-CD2 4.29Å; F232-L300 HydrophobicContact CD1-CD1 4.28Å; F232-L300 HydrophobicContact CD2-CD1 4.17Å; F232-L300 HydrophobicContact CE1-CD1 3.83Å; F232-L300 HydrophobicContact CE2-CD1 3.7Å; F232-L300 HydrophobicContact CG-CD1 4.44Å; F232-L300 HydrophobicContact CZ-CD1 3.51Å; F298-L300 HydrophobicContact CD2-CD2 3.97Å; F298-L300 HydrophobicContact CD2-CG 4Å; F298-L300 HydrophobicContact CE2-CD1 4.18Å; F298-L300 HydrophobicContact CE2-CD2 3.85Å; F298-L300 HydrophobicContact CE2-CG 3.8Å; L300-H309 HydrophobicContact CB-CB 4.13Å; L300-H309 PolarHBondContact N-O 2.85Å; L300-Y311 HydrophobicContact CD1-CD2 4.08Å; L300-Y311 HydrophobicContact CD1-CE2 3.89Å; L300-Y311 HydrophobicContact CG-CD2 4.32Å; L300-Y311 HydrophobicContact CG-CE2 4.37Å; L300-F525 HydrophobicContact CD2-CD2 3.91Å
301	G	85.5	Confident	86.5	Confident	6 Å²	6	45 Å²	45	6%	0.062	24%	0.238	C	C	.	.	S	Bend	trans	-65.8	155.9	176.5	0	0	0	0	0	112.4	N299	N299-G301 WeakPolarHBondContact OD1-CA 3.46Å; N299-G301 PolarHBondContact OD1-N 2.95Å
302	C	80.6	Confident	86.9	Confident	9 Å²	9	46.8 Å²	46.8	6%	0.061	25%	0.245	C	C	.	.	S	Bend	trans	-76.4	-26.2	173.4	58.9	0	0	0	0	112.5	R528 P531 L532 L535	C302-R528 WeakPolarHBondContact CB-O 3.19Å; C302-P531 HydrophobicContact CB-CB 4.25Å; C302-L532 HydrophobicContact CB-CD2 3.99Å; C302-L532 HydrophobicContact CB-CG 4.08Å; C302-L535 VanDerWaalsContact SG-CD1 3.52Å
303	D	80.5	Confident	87.4	Confident	53 Å²	53	41.5 Å²	41.5	28%	0.283	22%	0.222	S	C	.	.			trans	-93.3	120.2	176.7	-174	-8.2	0	0	0	110.5	N299 E305 Q306	N299-D303 PolarHBondContact ND2-O 3.24Å; N299-D303 VanDerWaalsContact ND2-O 3.08Å; D303-E305 VanDerWaalsContact C-N 3.27Å; D303-E305 PolarHBondContact O-N 3.45Å; D303-E305 PolarHBondContact OD1-N 3.29Å; D303-Q306 HydrophobicContact CB-CB 4.31Å; D303-Q306 HydrophobicContact CB-CG 4Å; D303-Q306 PolarHBondContact O-N 2.75Å; D303-Q306 WeakPolarHBondContact OD2-CG 3.21Å; D303-Q306 PolarHBondContact OD2-NE2 3.49Å
304	V	77.6	Confident	87.8	Confident	118 Å²	118	38 Å²	38	72%	0.715	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-20.5	-177.2	-65.8	0	0	0	0	113.1
305	E	78.6	Confident	88	Confident	170 Å²	170	37.5 Å²	37.5	79%	0.794	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-17.6	-179.8	-59.8	-171.8	173.2	0	0	112.3	D303	D303-E305 VanDerWaalsContact C-N 3.27Å; D303-E305 PolarHBondContact O-N 3.45Å; D303-E305 PolarHBondContact OD1-N 3.29Å
306	Q	80.6	Confident	88.1	Confident	43 Å²	43	36.8 Å²	36.8	20%	0.201	19%	0.191	C	C	.	.			trans	-83.9	130.5	179.8	-70.4	-178.5	33.4	0	0	112.3	H110 N299 D303	H110-Q306 PolarHBondContact CE1-OE1 2.85Å; H110-Q306 VanDerWaalsContact CE1-OE1 3.32Å; H110-Q306 PolarHBondContact ND1-OE1 3.02Å; N299-Q306 PolarHBondContact ND2-O 3.22Å; D303-Q306 HydrophobicContact CB-CB 4.31Å; D303-Q306 HydrophobicContact CB-CG 4Å; D303-Q306 PolarHBondContact O-N 2.75Å; D303-Q306 WeakPolarHBondContact OD2-CG 3.21Å; D303-Q306 PolarHBondContact OD2-NE2 3.49Å
307	T	82.7	Confident	88.1	Confident	42 Å²	42	37.7 Å²	37.7	26%	0.258	20%	0.195	S	C	.	.			trans	-96.8	-8.7	-176.2	56.6	0	0	0	0	114.7	H309 V310	T307-H309 PolarHBondContact O-N 3.12Å; T307-H309 VanDerWaalsContact O-N 3.13Å; T307-V310 WeakPolarHBondContact O-CB 3.38Å; T307-V310 PolarHBondContact O-N 2.63Å
308	Q	83.3	Confident	88.2	Confident	49 Å²	49	31.9 Å²	31.9	23%	0.229	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-35.9	-176.4	-173.4	179.6	-11.8	0	0	112.8	H110 H234 R256	H110-Q308 PolarHBondContact ND1-OE1 3.5Å; H234-Q308 PolarHBondContact CE1-NE2 2.87Å; H234-Q308 PolarHBondContact CE1-OE1 3.34Å; H234-Q308 PolarHBondContact ND1-NE2 3.36Å; R256-Q308 PolarHBondContact NH1-O 3.46Å
309	H	88.7	Confident	88.2	Confident	4 Å²	4	34 Å²	34	2%	0.019	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	20.4	-179.1	-72	-58.8	0	0	0	113.4	H110 F232 N299 L300 T307 Y311	H110-H309 PolarHBondContact O-NE2 3.02Å; F232-H309 PolarHBondContact O-CE1 3.48Å; F232-H309 VanDerWaalsContact O-CE1 3.22Å; N299-H309 WeakPolarHBondContact CA-O 3.35Å; N299-H309 WeakPolarHBondContact OD1-CB 3.38Å; N299-H309 PolarHBondContact OD1-O 2.89Å; L300-H309 HydrophobicContact CB-CB 4.13Å; L300-H309 PolarHBondContact N-O 2.85Å; T307-H309 PolarHBondContact O-N 3.12Å; T307-H309 VanDerWaalsContact O-N 3.13Å; H309-Y311 VanDerWaalsContact C-CE2 3.46Å; H309-Y311 HydrophobicContact CB-CE2 4.16Å; H309-Y311 PolarHBondContact ND1-OH 2.84Å; H309-Y311 WeakPolarHBondContact O-CD2 3.41Å; H309-Y311 VanDerWaalsContact O-CE2 3.25Å; H309-Y311 WeakPolarHBondContact O-CE2 3.45Å
310	V	91.1	Very high	88.3	Confident	38 Å²	38	32.9 Å²	32.9	23%	0.23	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	119.7	171.4	174.5	0	0	0	0	109.1	T246 R256 F298 N299 T307	T246-V310 HydrophobicContact CG2-CB 4.33Å; T246-V310 HydrophobicContact CG2-CG1 4.46Å; R256-V310 VanDerWaalsContact CZ-O 3.29Å; R256-V310 PolarHBondContact NH1-O 3.08Å; R256-V310 PolarHBondContact NH2-O 2.89Å; F298-V310 WeakPolarHBondContact O-CA 3.47Å; N299-V310 HydrophobicContact CB-CG2 4.01Å; T307-V310 WeakPolarHBondContact O-CB 3.38Å; T307-V310 PolarHBondContact O-N 2.63Å
311	Y	92	Very high	88.5	Confident	4 Å²	4	32.8 Å²	32.8	2%	0.016	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	139.1	-179.1	-62.2	-88.4	0	0	0	110.5	W222 F232 R256 T259 E297 F298 L300 H309	W222-Y311 AromaticContact CH2-CD1 3.4Å; W222-Y311 HydrophobicContact CH2-CD1 3.4Å; W222-Y311 HydrophobicContact CH2-CD2 4.32Å; W222-Y311 AromaticContact CH2-CE1 3.91Å; W222-Y311 HydrophobicContact CH2-CE1 3.91Å; W222-Y311 AromaticContact CH2-CG 3.65Å; W222-Y311 HydrophobicContact CH2-CG 3.65Å; W222-Y311 HydrophobicContact CZ2-CD1 4.17Å; W222-Y311 HydrophobicContact CZ3-CD1 4.29Å; W222-Y311 HydrophobicContact CZ3-CD2 4.48Å; W222-Y311 HydrophobicContact CZ3-CG 4.11Å; F232-Y311 HydrophobicContact CD1-CE1 4.29Å; F232-Y311 HydrophobicContact CD1-CE2 4.14Å; F232-Y311 AromaticContact CD1-CZ 3.66Å; F232-Y311 VanDerWaalsContact CD1-OH 3.29Å; F232-Y311 WeakPolarHBondContact CD1-OH 3.32Å; F232-Y311 HydrophobicContact CE1-CE1 4.15Å; F232-Y311 HydrophobicContact CE1-CE2 4.09Å; F232-Y311 AromaticContact CE1-CZ 3.79Å; R256-Y311 VanDerWaalsContact NE-CE1 3.34Å; T259-Y311 HydrophobicContact CG2-CE1 4.1Å; E297-Y311 WeakPolarHBondContact CA-O 3.49Å; F298-Y311 HydrophobicContact CE2-CD2 4.37Å; F298-Y311 PolarHBondContact N-O 3.2Å; F298-Y311 VanDerWaalsContact N-O 3.13Å; F298-Y311 PolarHBondContact O-N 3.04Å; L300-Y311 HydrophobicContact CD1-CD2 4.08Å; L300-Y311 HydrophobicContact CD1-CE2 3.89Å; L300-Y311 HydrophobicContact CG-CD2 4.32Å; L300-Y311 HydrophobicContact CG-CE2 4.37Å; H309-Y311 VanDerWaalsContact C-CE2 3.46Å; H309-Y311 HydrophobicContact CB-CE2 4.16Å; H309-Y311 PolarHBondContact ND1-OH 2.84Å; H309-Y311 WeakPolarHBondContact O-CD2 3.41Å; H309-Y311 VanDerWaalsContact O-CE2 3.25Å; H309-Y311 WeakPolarHBondContact O-CE2 3.45Å
312	R	93.1	Very high	89	Confident	36 Å²	36	32.5 Å²	32.5	14%	0.136	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	112.6	164.8	-177.8	-176.2	-62.4	128.9	7.3	107.7	E275 V276 G278 L295 A296 E297	E275-R312 WeakPolarHBondContact CA-O 3.38Å; V276-R312 HydrophobicContact CB-CG 4.49Å; V276-R312 PolarHBondContact N-O 3.22Å; G278-R312 PolarHBondContact O-NH1 2.87Å; L295-R312 HydrophobicContact CD2-CG 4.14Å; A296-R312 WeakPolarHBondContact O-CA 3.48Å; E297-R312 HydrophobicContact CG-CB 4.23Å; E297-R312 HydrophobicContact CG-CG 4.07Å; E297-R312 IonicContact OE1-CZ 3.1Å; E297-R312 VanDerWaalsContact OE1-CZ 3.31Å; E297-R312 IonicContact OE1-NE 3.96Å; E297-R312 PolarHBondContact OE1-NE 3.43Å; E297-R312 IonicContact OE1-NH2 2.68Å; E297-R312 PolarHBondContact OE1-NH2 3.43Å
313	V	95.1	Very high	89.7	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	121.8	-176.2	-172.7	0	0	0	0	108.4	W222 A273 Y274 A296 F298 V315	W222-V313 HydrophobicContact CB-CG1 4.43Å; W222-V313 HydrophobicContact CD2-CG1 4.03Å; W222-V313 HydrophobicContact CD2-CG2 3.9Å; W222-V313 HydrophobicContact CE3-CG2 3.85Å; W222-V313 HydrophobicContact CG-CG1 3.92Å; W222-V313 HydrophobicContact CH2-CG2 4.05Å; W222-V313 HydrophobicContact CZ2-CG2 4.05Å; W222-V313 HydrophobicContact CZ3-CG2 3.95Å; A273-V313 HydrophobicContact CB-CG1 4.13Å; Y274-V313 CarbonylContact O-C 3.5Å; Y274-V313 WeakPolarHBondContact O-CA 3.49Å; Y274-V313 WeakPolarHBondContact O-CG1 3.38Å; A296-V313 PolarHBondContact N-O 2.97Å; A296-V313 PolarHBondContact O-N 2.82Å; F298-V313 HydrophobicContact CE1-CB 4.12Å; F298-V313 HydrophobicContact CE1-CG2 3.61Å; F298-V313 HydrophobicContact CZ-CG2 3.71Å; V313-V315 HydrophobicContact CB-CG2 4.08Å; V313-V315 HydrophobicContact CG1-CG2 3.5Å; V313-V315 PolarHBondContact O-N 3.24Å
314	Y	95.2	Very high	90.3	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	125.8	163.1	170.9	-91.1	0	0	0	107.9	I272 A273 Y274 V294 T316 Y409 Q410 A411	I272-Y314 HydrophobicContact CG2-CE1 4.11Å; A273-Y314 CarbonylContact C-O 3.59Å; A273-Y314 WeakPolarHBondContact CA-O 3.38Å; Y274-Y314 AromaticContact CD1-CD1 3.88Å; Y274-Y314 HydrophobicContact CD1-CD1 3.88Å; Y274-Y314 AromaticContact CE1-CD1 3.18Å; Y274-Y314 HydrophobicContact CE1-CD1 3.18Å; Y274-Y314 AromaticContact CE1-CE1 3.66Å; Y274-Y314 HydrophobicContact CE1-CE1 3.66Å; Y274-Y314 HydrophobicContact CE1-CG 4.06Å; Y274-Y314 HydrophobicContact CE2-CD1 4.12Å; Y274-Y314 HydrophobicContact CE2-CG 4.18Å; Y274-Y314 AromaticContact CZ-CD1 3.32Å; Y274-Y314 AromaticContact CZ-CE1 3.9Å; Y274-Y314 AromaticContact CZ-CG 3.75Å; Y274-Y314 PolarHBondContact N-O 3.42Å; Y274-Y314 PolarHBondContact O-N 3.47Å; Y274-Y314 WeakPolarHBondContact OH-CD1 3.32Å; V294-Y314 HydrophobicContact CB-CD2 4.27Å; V294-Y314 HydrophobicContact CB-CE2 3.98Å; V294-Y314 HydrophobicContact CG2-CD2 3.84Å; V294-Y314 HydrophobicContact CG2-CE2 3.57Å; Y314-T316 HydrophobicContact CE1-CG2 3.77Å; Y314-T316 VanDerWaalsContact OH-CG2 3.22Å; Y314-T316 WeakPolarHBondContact OH-CG2 3.42Å; Y314-Y409 HydrophobicContact CE2-CD1 4.36Å; Y314-Y409 WeakPolarHBondContact CE2-O 3.25Å; Y314-Y409 PolarHBondContact OH-O 3.08Å; Y314-Q410 HydrophobicContact CE1-CG 4.44Å; Y314-A411 HydrophobicContact CD2-CB 3.69Å; Y314-A411 HydrophobicContact CE2-CB 4.45Å; Y314-A411 HydrophobicContact CG-CB 3.97Å
315	V	95.3	Very high	91.1	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.012	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	124.6	177.9	-173	0	0	0	0	109.5	K215 V219 I272 A273 V294 V313	K215-V315 HydrophobicContact CG-CB 4.34Å; K215-V315 HydrophobicContact CG-CG1 4.47Å; K215-V315 WeakPolarHBondContact O-CG1 3.42Å; V219-V315 HydrophobicContact CG2-CB 4.42Å; V219-V315 HydrophobicContact CG2-CG2 3.64Å; I272-V315 WeakPolarHBondContact O-CA 3.4Å; A273-V315 HydrophobicContact CB-CB 4.3Å; A273-V315 HydrophobicContact CB-CG1 4.13Å; A273-V315 HydrophobicContact CB-CG2 3.7Å; V294-V315 PolarHBondContact O-N 3.21Å; V313-V315 HydrophobicContact CB-CG2 4.08Å; V313-V315 HydrophobicContact CG1-CG2 3.5Å; V313-V315 PolarHBondContact O-N 3.24Å
316	T	92.8	Very high	92	Very high	8 Å²	8	21.4 Å²	21.4	5%	0.049	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	157.1	170.7	-169.6	0	0	0	0	110.9	I272 Y314 F318	I272-T316 HydrophobicContact CG2-CG2 3.34Å; I272-T316 PolarHBondContact N-O 2.95Å; I272-T316 PolarHBondContact O-N 2.96Å; I272-T316 VanDerWaalsContact O-N 3.09Å; Y314-T316 HydrophobicContact CE1-CG2 3.77Å; Y314-T316 VanDerWaalsContact OH-CG2 3.22Å; Y314-T316 WeakPolarHBondContact OH-CG2 3.42Å; T316-F318 HydrophobicContact CG2-CD2 4.3Å; T316-F318 HydrophobicContact CG2-CE2 3.34Å; T316-F318 HydrophobicContact CG2-CZ 3.56Å
317	T	92.3	Very high	92.8	Very high	29 Å²	29	19.6 Å²	19.6	18%	0.178	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	129.1	178.3	-58	0	0	0	0	110.2	G214 L270 Q271	G214-T317 WeakPolarHBondContact CA-OG1 3.06Å; G214-T317 PolarHBondContact O-OG1 3.32Å; L270-T317 CarbonylContact O-C 3.58Å; L270-T317 WeakPolarHBondContact O-CA 3.47Å; Q271-T317 HydrophobicContact CG-CG2 3.93Å
318	F	93.4	Very high	93.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	99.7	179.5	-55	-88.8	0	0	0	108.8	S269 L270 I272 T316 F321 P405 I408 F496	S269-F318 WeakPolarHBondContact CA-O 3.27Å; L270-F318 HydrophobicContact CB-CB 4.38Å; L270-F318 HydrophobicContact CD2-CD2 4.07Å; L270-F318 HydrophobicContact CG-CD2 4.21Å; L270-F318 PolarHBondContact N-O 3.05Å; L270-F318 VanDerWaalsContact N-O 3.1Å; L270-F318 PolarHBondContact O-N 3.37Å; I272-F318 HydrophobicContact CG2-CE2 4.24Å; T316-F318 HydrophobicContact CG2-CD2 4.3Å; T316-F318 HydrophobicContact CG2-CE2 3.34Å; T316-F318 HydrophobicContact CG2-CZ 3.56Å; F318-F321 HydrophobicContact CB-CB 3.6Å; F318-F321 HydrophobicContact CB-CD1 4.04Å; F318-F321 HydrophobicContact CB-CD2 3.56Å; F318-F321 HydrophobicContact CB-CE2 4.26Å; F318-F321 HydrophobicContact CB-CG 3.45Å; F318-F321 VanDerWaalsContact CB-CG 3.45Å; F318-F321 HydrophobicContact CG-CG 4.38Å; F318-F321 WeakPolarHBondContact O-CB 3.37Å; F318-F321 PolarHBondContact O-N 3.47Å; F318-P405 HydrophobicContact CD1-CB 3.98Å; F318-P405 HydrophobicContact CE1-CB 3.77Å; F318-P405 HydrophobicContact CE1-CG 4.18Å; F318-P405 WeakPolarHBondContact CE1-O 3.29Å; F318-P405 HydrophobicContact CZ-CB 4.37Å; F318-P405 HydrophobicContact CZ-CG 4.28Å; F318-I408 HydrophobicContact CD1-CD1 3.92Å; F318-I408 HydrophobicContact CE1-CB 4.32Å; F318-I408 HydrophobicContact CE1-CD1 3.55Å; F318-I408 HydrophobicContact CE1-CG1 4.12Å; F318-I408 HydrophobicContact CZ-CD1 4.39Å; F318-F496 HydrophobicContact CD2-CE1 4.38Å; F318-F496 HydrophobicContact CD2-CZ 4.19Å; F318-F496 AromaticContact CE2-CE1 3.45Å; F318-F496 HydrophobicContact CE2-CE1 3.45Å; F318-F496 VanDerWaalsContact CE2-CE1 3.45Å; F318-F496 AromaticContact CE2-CZ 3.65Å; F318-F496 HydrophobicContact CE2-CZ 3.65Å; F318-F496 AromaticContact CZ-CE1 3.86Å; F318-F496 HydrophobicContact CZ-CE1 3.86Å; F318-F496 HydrophobicContact CZ-CZ 4.47Å
319	L	92.1	Very high	93.9	Very high	68 Å²	68	22.8 Å²	22.8	36%	0.356	11%	0.113	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	132.9	176	-167.9	64.8	0	0	0	109.5	A175 L179 F321	A175-L319 HydrophobicContact CB-CD1 3.82Å; L179-L319 HydrophobicContact CD2-CD1 4.22Å; L179-L319 HydrophobicContact CD2-CD2 3.78Å; L179-L319 HydrophobicContact CD2-CG 3.95Å; L179-L319 HydrophobicContact CG-CD1 4.28Å; L179-L319 HydrophobicContact CG-CD2 4.42Å; L319-F321 WeakPolarHBondContact O-CD2 3.38Å
320	G	92.9	Very high	94.3	Very high	8 Å²	8	23.1 Å²	23.1	8%	0.082	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.8	7.7	-174.5	0	0	0	0	0	114.8	A268 R329	A268-G320 VanDerWaalsContact O-CA 3.28Å; A268-G320 WeakPolarHBondContact O-CA 3.3Å; A268-G320 PolarHBondContact O-N 3.4Å; G320-R329 WeakPolarHBondContact O-CD 3.46Å; G320-R329 PolarHBondContact O-NH1 3.1Å
321	F	95.5	Very high	94.5	Very high	1 Å²	1	22.3 Å²	22.3	0%	0.004	11%	0.109	C	C	.	.			trans	-106.6	-0.9	177.5	-74.9	-116.4	0	0	0	113.1	L270 F318 L319 P405 Q406 W487	L270-F321 HydrophobicContact CB-CB 3.84Å; L270-F321 HydrophobicContact CD2-CB 4.33Å; F318-F321 HydrophobicContact CB-CB 3.6Å; F318-F321 HydrophobicContact CB-CD1 4.04Å; F318-F321 HydrophobicContact CB-CD2 3.56Å; F318-F321 HydrophobicContact CB-CE2 4.26Å; F318-F321 HydrophobicContact CB-CG 3.45Å; F318-F321 VanDerWaalsContact CB-CG 3.45Å; F318-F321 HydrophobicContact CG-CG 4.38Å; F318-F321 WeakPolarHBondContact O-CB 3.37Å; F318-F321 PolarHBondContact O-N 3.47Å; L319-F321 WeakPolarHBondContact O-CD2 3.38Å; F321-P405 HydrophobicContact CD1-CB 4.27Å; F321-P405 HydrophobicContact CE1-CB 3.61Å; F321-P405 HydrophobicContact CE1-CG 4.46Å; F321-P405 HydrophobicContact CZ-CB 4.25Å; F321-Q406 HydrophobicContact CE2-CG 3.98Å; F321-Q406 HydrophobicContact CZ-CG 3.55Å; F321-W487 HydrophobicContact CB-CZ2 4.04Å; F321-W487 AromaticContact CD1-CH2 3.79Å; F321-W487 HydrophobicContact CD1-CH2 3.79Å; F321-W487 AromaticContact CD1-CZ2 3.54Å; F321-W487 HydrophobicContact CD1-CZ2 3.54Å; F321-W487 HydrophobicContact CE1-CH2 4.04Å; F321-W487 HydrophobicContact CE1-CZ2 4.26Å; F321-W487 HydrophobicContact CG-CZ2 4.03Å; F321-W487 PolarHBondContact O-NE1 3.22Å
322	G	95.3	Very high	94.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	-63.2	154.5	167.4	0	0	0	0	0	111	G266 G267 A268 S269 N324 M325 A326	G266-G322 CarbonylContact O-C 3.54Å; G266-G322 WeakPolarHBondContact O-CA 3.26Å; G267-G322 CarbonylContact O-C 3.5Å; G267-G322 VanDerWaalsContact O-C 3.26Å; A268-G322 PolarHBondContact O-N 2.88Å; S269-G322 WeakPolarHBondContact O-CA 3.32Å; G322-N324 VanDerWaalsContact C-N 3.27Å; G322-N324 PolarHBondContact O-N 3.32Å; G322-N324 VanDerWaalsContact O-N 3.15Å; G322-M325 PolarHBondContact O-N 3.29Å; G322-A326 WeakPolarHBondContact O-CB 3.49Å; G322-A326 PolarHBondContact O-N 3.42Å
323	G	94.9	Very high	94.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-58.1	-34.7	-168.6	0	0	0	0	0	114.6	G266 R327	G266-G323 PolarHBondContact O-N 3.28Å; G323-R327 PolarHBondContact O-N 3.44Å
324	N	93.3	Very high	94.4	Very high	73 Å²	73	28.1 Å²	28.1	39%	0.39	14%	0.139	S	C	.	.	H	α-helix	trans	-77.9	-44.8	179.6	-58.9	-20.3	0	0	0	111.4	G267 G322 A326 R327 Q328 K484	G267-N324 WeakPolarHBondContact O-CB 3.48Å; G267-N324 PolarHBondContact O-N 3.15Å; G267-N324 VanDerWaalsContact O-N 3.08Å; G322-N324 VanDerWaalsContact C-N 3.27Å; G322-N324 PolarHBondContact O-N 3.32Å; G322-N324 VanDerWaalsContact O-N 3.15Å; N324-A326 VanDerWaalsContact C-N 3.33Å; N324-A326 PolarHBondContact O-N 2.94Å; N324-R327 WeakPolarHBondContact O-CB 3.39Å; N324-R327 PolarHBondContact O-N 3.1Å; N324-Q328 PolarHBondContact O-N 3.2Å; N324-K484 WeakPolarHBondContact OD1-CE 3.4Å; N324-K484 PolarHBondContact OD1-NZ 2.68Å
325	M	94.7	Very high	94.2	Very high	43 Å²	43	28.4 Å²	28.4	21%	0.212	14%	0.141	C	C	.	.	H	α-helix	trans	-65.9	-36.4	177.8	-77.3	-61.2	-50.9	0	0	112.3	L179 G267 A268 G322 R327 Q328 R329	L179-M325 HydrophobicContact CD1-SD 4.44Å; G267-M325 PolarHBondContact O-N 3.14Å; G267-M325 VanDerWaalsContact O-N 3.1Å; A268-M325 HydrophobicContact CB-CG 3.84Å; G322-M325 PolarHBondContact O-N 3.29Å; M325-R327 VanDerWaalsContact C-N 3.33Å; M325-Q328 PolarHBondContact O-N 2.98Å; M325-R329 WeakPolarHBondContact O-CG 3.41Å; M325-R329 PolarHBondContact O-N 2.8Å
326	A	97	Very high	94	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.008	17%	0.167	C	C	.	.	H	α-helix	trans	-61.9	-42.6	172.8	0	0	0	0	0	111.1	G322 N324 R329 Y330 F483 W487	G322-A326 WeakPolarHBondContact O-CB 3.49Å; G322-A326 PolarHBondContact O-N 3.42Å; N324-A326 VanDerWaalsContact C-N 3.33Å; N324-A326 PolarHBondContact O-N 2.94Å; A326-R329 PolarHBondContact O-N 2.83Å; A326-Y330 WeakPolarHBondContact O-CB 3.38Å; A326-Y330 PolarHBondContact O-N 3.33Å; A326-F483 VanDerWaalsContact C-CZ 3.47Å; A326-F483 HydrophobicContact CB-CE1 4.01Å; A326-F483 HydrophobicContact CB-CZ 4.17Å; A326-F483 WeakPolarHBondContact O-CZ 3.33Å; A326-W487 HydrophobicContact CB-CD2 3.86Å; A326-W487 VanDerWaalsContact CB-CE2 3.48Å; A326-W487 HydrophobicContact CB-CG 4.14Å; A326-W487 HydrophobicContact CB-CH2 4.49Å; A326-W487 HydrophobicContact CB-CZ2 3.83Å
327	R	96.9	Very high	93.8	Very high	6 Å²	6	35 Å²	35	2%	0.023	18%	0.179	C	C	.	.	H	α-helix	trans	-63.1	-43.6	175.1	179.4	60.1	-173.8	-175.6	3.6	111.8	G323 N324 M325 Y330 E331 D359 Y480 F483	G323-R327 PolarHBondContact O-N 3.44Å; N324-R327 WeakPolarHBondContact O-CB 3.39Å; N324-R327 PolarHBondContact O-N 3.1Å; M325-R327 VanDerWaalsContact C-N 3.33Å; R327-Y330 VanDerWaalsContact NH1-CE1 3.31Å; R327-Y330 WeakPolarHBondContact O-CB 3.47Å; R327-Y330 PolarHBondContact O-N 2.84Å; R327-E331 HydrophobicContact CG-CG 4.46Å; R327-E331 IonicContact CZ-OE1 2.8Å; R327-E331 VanDerWaalsContact CZ-OE1 3.31Å; R327-E331 IonicContact NE-OE1 2.89Å; R327-E331 PolarHBondContact NE-OE1 2.73Å; R327-E331 IonicContact NH2-OE1 3.71Å; R327-E331 PolarHBondContact NH2-OE1 2.84Å; R327-E331 VanDerWaalsContact NH2-OE1 3.1Å; R327-E331 WeakPolarHBondContact O-CG 3.36Å; R327-E331 PolarHBondContact O-N 2.95Å; R327-D359 IonicContact CZ-OD2 3.72Å; R327-D359 IonicContact NH1-OD2 3.24Å; R327-D359 PolarHBondContact NH1-OD2 2.79Å; R327-D359 IonicContact NH2-OD2 3.65Å; R327-D359 PolarHBondContact NH2-OD2 3.29Å; R327-Y480 HydrophobicContact CG-CD1 3.91Å; R327-Y480 HydrophobicContact CG-CE1 3.89Å; R327-F483 VanDerWaalsContact CA-CZ 3.41Å; R327-F483 HydrophobicContact CB-CD1 3.72Å; R327-F483 HydrophobicContact CB-CE1 3.6Å; R327-F483 HydrophobicContact CB-CG 4.34Å; R327-F483 HydrophobicContact CB-CZ 4.09Å; R327-F483 HydrophobicContact CG-CD1 4.28Å; R327-F483 HydrophobicContact CG-CG 4.45Å; R327-F483 VanDerWaalsContact N-CE1 3.26Å
328	Q	95.1	Very high	93.5	Very high	83 Å²	83	33.8 Å²	33.8	39%	0.388	17%	0.172	S	C	.	.	H	α-helix	trans	-60.7	-46.8	177.8	-176.2	176.2	-3.6	0	0	111.6	N324 M325 Y330 E331 D332	N324-Q328 PolarHBondContact O-N 3.2Å; M325-Q328 PolarHBondContact O-N 2.98Å; Q328-Y330 VanDerWaalsContact C-N 3.28Å; Q328-Y330 PolarHBondContact O-N 3.21Å; Q328-E331 PolarHBondContact O-N 3.18Å; Q328-D332 VanDerWaalsContact O-CG 3.22Å; Q328-D332 PolarHBondContact O-N 2.56Å
329	R	95.3	Very high	93.1	Very high	74 Å²	74	37.6 Å²	37.6	28%	0.279	19%	0.192	S	C	.	.	H	α-helix	trans	-58.8	-40.6	175.5	-73.2	170.6	59	-150.8	-4.7	111.9	G320 M325 A326 D332 Q333 F395	G320-R329 WeakPolarHBondContact O-CD 3.46Å; G320-R329 PolarHBondContact O-NH1 3.1Å; M325-R329 WeakPolarHBondContact O-CG 3.41Å; M325-R329 PolarHBondContact O-N 2.8Å; A326-R329 PolarHBondContact O-N 2.83Å; R329-D332 PolarHBondContact O-N 2.82Å; R329-Q333 PolarHBondContact O-N 3.22Å; R329-Q333 VanDerWaalsContact O-N 3.08Å; R329-F395 HydrophobicContact CB-CD1 4.02Å; R329-F395 HydrophobicContact CB-CE1 4.1Å; R329-F395 PolarHBondContact NH2-O 3.47Å; R329-F395 WeakPolarHBondContact O-CE1 3.48Å
330	Y	96.5	Very high	92.8	Very high	11 Å²	11	37.2 Å²	37.2	4%	0.043	20%	0.195	C	C	.	.	H	α-helix	trans	-60.7	-49.7	175	171.4	-94.6	0	0	0	112.1	A326 R327 Q328 D332 Q333 L334 D359 A391 F395 F483	A326-Y330 WeakPolarHBondContact O-CB 3.38Å; A326-Y330 PolarHBondContact O-N 3.33Å; R327-Y330 VanDerWaalsContact NH1-CE1 3.31Å; R327-Y330 WeakPolarHBondContact O-CB 3.47Å; R327-Y330 PolarHBondContact O-N 2.84Å; Q328-Y330 VanDerWaalsContact C-N 3.28Å; Q328-Y330 PolarHBondContact O-N 3.21Å; Y330-D332 VanDerWaalsContact C-N 3.33Å; Y330-D332 PolarHBondContact O-N 2.99Å; Y330-Q333 PolarHBondContact O-N 3.08Å; Y330-L334 HydrophobicContact CE1-CD2 4.05Å; Y330-L334 VanDerWaalsContact O-CB 3.23Å; Y330-L334 WeakPolarHBondContact O-CB 3.47Å; Y330-L334 PolarHBondContact O-N 3.37Å; Y330-D359 PolarHBondContact OH-OD1 3.13Å; Y330-A391 HydrophobicContact CE2-CB 4.11Å; Y330-F395 VanDerWaalsContact CA-CZ 3.49Å; Y330-F395 AromaticContact CD2-CE2 3.79Å; Y330-F395 HydrophobicContact CD2-CE2 3.79Å; Y330-F395 HydrophobicContact CD2-CZ 4.1Å; Y330-F483 HydrophobicContact CD1-CD2 4.19Å; Y330-F483 AromaticContact CD1-CE2 3.93Å; Y330-F483 HydrophobicContact CD1-CE2 3.93Å; Y330-F483 HydrophobicContact CD2-CE2 4.05Å; Y330-F483 HydrophobicContact CG-CD2 4.23Å; Y330-F483 AromaticContact CG-CE2 3.55Å; Y330-F483 HydrophobicContact CG-CE2 3.55Å; Y330-F483 HydrophobicContact CG-CZ 4.44Å
331	E	95.4	Very high	92.5	Very high	22 Å²	22	42.4 Å²	42.4	10%	0.103	22%	0.215	C	C	.	.	H	α-helix	trans	-62.2	-39.2	178.1	-71.8	177.2	174.5	0	0	112.1	R327 Q328 L334 A335 I370	R327-E331 HydrophobicContact CG-CG 4.46Å; R327-E331 IonicContact CZ-OE1 2.8Å; R327-E331 VanDerWaalsContact CZ-OE1 3.31Å; R327-E331 IonicContact NE-OE1 2.89Å; R327-E331 PolarHBondContact NE-OE1 2.73Å; R327-E331 IonicContact NH2-OE1 3.71Å; R327-E331 PolarHBondContact NH2-OE1 2.84Å; R327-E331 VanDerWaalsContact NH2-OE1 3.1Å; R327-E331 WeakPolarHBondContact O-CG 3.36Å; R327-E331 PolarHBondContact O-N 2.95Å; Q328-E331 PolarHBondContact O-N 3.18Å; E331-L334 PolarHBondContact O-N 3.14Å; E331-A335 WeakPolarHBondContact O-CB 3.45Å; E331-A335 PolarHBondContact O-N 3.24Å; E331-I370 HydrophobicContact CB-CD1 3.74Å; E331-I370 HydrophobicContact CB-CG1 4.25Å; E331-I370 HydrophobicContact CG-CD1 3.85Å; E331-I370 HydrophobicContact CG-CG1 4.22Å
332	D	93.3	Very high	92	Very high	48 Å²	48	43.5 Å²	43.5	26%	0.257	22%	0.221	S	C	.	.	H	α-helix	trans	-64.4	-45.7	177.9	-69.2	-24.8	0	0	0	111.8	Q328 R329 Y330 N336 R372	Q328-D332 VanDerWaalsContact O-CG 3.22Å; Q328-D332 PolarHBondContact O-N 2.56Å; R329-D332 PolarHBondContact O-N 2.82Å; Y330-D332 VanDerWaalsContact C-N 3.33Å; Y330-D332 PolarHBondContact O-N 2.99Å; D332-N336 WeakPolarHBondContact O-CB 3.33Å; D332-N336 PolarHBondContact O-N 2.91Å; D332-N336 PolarHBondContact O-ND2 3.09Å; D332-R372 IonicContact OD1-CZ 3.32Å; D332-R372 IonicContact OD1-NE 2.69Å; D332-R372 PolarHBondContact OD1-NE 2.87Å; D332-R372 IonicContact OD1-NH2 3.89Å; D332-R372 PolarHBondContact OD1-NH2 2.88Å; D332-R372 IonicContact OD2-NH2 3.2Å
333	Q	93.1	Very high	91.4	Very high	106 Å²	106	53.7 Å²	53.7	50%	0.495	26%	0.259	S	S	.	.	H	α-helix	trans	-66.7	-38.7	175.6	179.3	172.8	-25	0	0	111.8	R329 Y330 S337 F395	R329-Q333 PolarHBondContact O-N 3.22Å; R329-Q333 VanDerWaalsContact O-N 3.08Å; Y330-Q333 PolarHBondContact O-N 3.08Å; Q333-S337 VanDerWaalsContact O-CB 3.25Å; Q333-S337 WeakPolarHBondContact O-CB 3.38Å; Q333-S337 PolarHBondContact O-N 3.06Å; Q333-S337 PolarHBondContact O-OG 2.83Å; Q333-F395 HydrophobicContact CB-CE1 4.06Å; Q333-F395 HydrophobicContact CB-CZ 3.8Å; Q333-F395 HydrophobicContact CG-CZ 4.17Å
334	L	92.3	Very high	90.8	Very high	8 Å²	8	61.5 Å²	61.5	4%	0.042	29%	0.294	C	S	.	.	H	α-helix	trans	-60.7	-49.1	177	172.7	59.9	0	0	0	111.3	Y330 E331 S337 T338 Y357 I370 M377 L379	Y330-L334 HydrophobicContact CE1-CD2 4.05Å; Y330-L334 VanDerWaalsContact O-CB 3.23Å; Y330-L334 WeakPolarHBondContact O-CB 3.47Å; Y330-L334 PolarHBondContact O-N 3.37Å; E331-L334 PolarHBondContact O-N 3.14Å; L334-S337 PolarHBondContact O-OG 2.67Å; L334-S337 VanDerWaalsContact O-OG 3.08Å; L334-T338 WeakPolarHBondContact O-CB 3.46Å; L334-T338 PolarHBondContact O-N 3.41Å; L334-T338 PolarHBondContact O-OG1 3.42Å; L334-Y357 HydrophobicContact CD1-CD1 3.69Å; L334-Y357 HydrophobicContact CD1-CD2 3.86Å; L334-Y357 HydrophobicContact CD1-CE1 3.29Å; L334-Y357 HydrophobicContact CD1-CE2 3.46Å; L334-Y357 VanDerWaalsContact CD1-CE2 3.46Å; L334-Y357 HydrophobicContact CD1-CG 3.97Å; L334-Y357 HydrophobicContact CD2-CD1 4.06Å; L334-Y357 HydrophobicContact CD2-CE1 4.12Å; L334-Y357 HydrophobicContact CG-CD1 4.42Å; L334-Y357 HydrophobicContact CG-CE1 4.34Å; L334-I370 HydrophobicContact CD2-CD1 4.13Å; L334-M377 HydrophobicContact CD1-CE 4.04Å; L334-M377 HydrophobicContact CD2-CE 4.35Å; L334-M377 HydrophobicContact CG-CE 3.89Å; L334-M377 HydrophobicContact CG-SD 4.47Å; L334-L379 HydrophobicContact CD2-CD2 3.95Å
335	A	91	Very high	90.1	Very high	5 Å²	5	63.4 Å²	63.4	4%	0.041	30%	0.303	C	S	.	.	H	α-helix	trans	-61.4	-50.8	177.6	0	0	0	0	0	111.5	E331 S337 T338 I339 M377	E331-A335 WeakPolarHBondContact O-CB 3.45Å; E331-A335 PolarHBondContact O-N 3.24Å; A335-S337 PolarHBondContact O-N 2.96Å; A335-T338 PolarHBondContact O-N 2.85Å; A335-I339 WeakPolarHBondContact O-CB 3.28Å; A335-I339 VanDerWaalsContact O-CG1 3.26Å; A335-I339 WeakPolarHBondContact O-CG1 3.36Å; A335-I339 PolarHBondContact O-N 2.98Å; A335-M377 HydrophobicContact CB-SD 4.24Å
336	N	89.8	Confident	89	Confident	104 Å²	104	67.7 Å²	67.7	56%	0.556	33%	0.332	S	S	*	.	H	α-helix	trans	-61	-43.7	-178.7	-72.4	-19.5	0	0	0	112.6	D332 S340	D332-N336 WeakPolarHBondContact O-CB 3.33Å; D332-N336 PolarHBondContact O-N 2.91Å; D332-N336 PolarHBondContact O-ND2 3.09Å; N336-S340 WeakPolarHBondContact O-CB 3.43Å; N336-S340 PolarHBondContact O-N 2.99Å; N336-S340 PolarHBondContact O-OG 3.49Å
337	S	88.8	Confident	87.8	Confident	44 Å²	44	70.2 Å²	70.2	31%	0.308	35%	0.348	S	S	.	.	H	α-helix	trans	-69.3	-35.9	179.9	63.6	0	0	0	0	112.3	Q333 L334 A335 K341	Q333-S337 VanDerWaalsContact O-CB 3.25Å; Q333-S337 WeakPolarHBondContact O-CB 3.38Å; Q333-S337 PolarHBondContact O-N 3.06Å; Q333-S337 PolarHBondContact O-OG 2.83Å; L334-S337 PolarHBondContact O-OG 2.67Å; L334-S337 VanDerWaalsContact O-OG 3.08Å; A335-S337 PolarHBondContact O-N 2.96Å; S337-K341 WeakPolarHBondContact O-CB 3.19Å; S337-K341 WeakPolarHBondContact O-CG 3.37Å; S337-K341 PolarHBondContact O-N 3.39Å
338	T	86.9	Confident	87.1	Confident	5 Å²	5	75.2 Å²	75.2	3%	0.031	37%	0.371	C	S	.	.	H	α-helix	trans	-71.7	-46.1	178.3	-55.4	0	0	0	0	111.3	L334 A335 S340 K341 N342 T349 Y357 M377	L334-T338 WeakPolarHBondContact O-CB 3.46Å; L334-T338 PolarHBondContact O-N 3.41Å; L334-T338 PolarHBondContact O-OG1 3.42Å; A335-T338 PolarHBondContact O-N 2.85Å; T338-S340 VanDerWaalsContact C-N 3.26Å; T338-S340 PolarHBondContact O-N 2.77Å; T338-K341 PolarHBondContact O-N 3.33Å; T338-K341 VanDerWaalsContact O-N 3.17Å; T338-N342 WeakPolarHBondContact O-CB 3.06Å; T338-N342 VanDerWaalsContact O-CG 3.25Å; T338-N342 PolarHBondContact O-N 3.46Å; T338-N342 PolarHBondContact O-OD1 2.93Å; T338-T349 WeakPolarHBondContact CG2-O 3.49Å; T338-Y357 HydrophobicContact CG2-CD2 4.33Å; T338-M377 HydrophobicContact CG2-CE 3.77Å; T338-M377 HydrophobicContact CG2-SD 4.42Å; T338-M377 WeakPolarHBondContact OG1-CE 3.38Å
339	I	84.8	Confident	86.9	Confident	79 Å²	79	73.8 Å²	73.8	41%	0.405	37%	0.368	S	S	.	.	H	α-helix	trans	-55.9	-44.9	174.2	-68.9	166.4	0	0	0	110.5	A335 N342 R343	A335-I339 WeakPolarHBondContact O-CB 3.28Å; A335-I339 VanDerWaalsContact O-CG1 3.26Å; A335-I339 WeakPolarHBondContact O-CG1 3.36Å; A335-I339 PolarHBondContact O-N 2.98Å; I339-N342 PolarHBondContact O-N 3.45Å; I339-R343 PolarHBondContact O-N 2.8Å; I339-R343 VanDerWaalsContact O-N 3.15Å
340	S	86	Confident	86.6	Confident	60 Å²	60	70.3 Å²	70.3	42%	0.42	36%	0.355	S	S	.	.	H	α-helix	trans	-61.4	-48.9	176.9	-59	0	0	0	0	111.6	N336 T338 N342 R343 F344	N336-S340 WeakPolarHBondContact O-CB 3.43Å; N336-S340 PolarHBondContact O-N 2.99Å; N336-S340 PolarHBondContact O-OG 3.49Å; T338-S340 VanDerWaalsContact C-N 3.26Å; T338-S340 PolarHBondContact O-N 2.77Å; S340-N342 PolarHBondContact O-N 2.94Å; S340-R343 WeakPolarHBondContact O-CB 3.44Å; S340-R343 PolarHBondContact O-N 2.91Å; S340-F344 WeakPolarHBondContact O-CD2 3.33Å; S340-F344 PolarHBondContact O-N 3.2Å
341	K	85.9	Confident	86.2	Confident	117 Å²	117	74.6 Å²	74.6	51%	0.509	38%	0.378	S	S	.	.	H	α-helix	trans	-61.7	-41.3	178.7	-77.6	175.7	-179.5	178.8	0	112.9	S337 T338 R343 F344 L345	S337-K341 WeakPolarHBondContact O-CB 3.19Å; S337-K341 WeakPolarHBondContact O-CG 3.37Å; S337-K341 PolarHBondContact O-N 3.39Å; T338-K341 PolarHBondContact O-N 3.33Å; T338-K341 VanDerWaalsContact O-N 3.17Å; K341-R343 PolarHBondContact O-N 2.93Å; K341-F344 PolarHBondContact O-N 3.34Å; K341-L345 WeakPolarHBondContact O-CB 3.43Å; K341-L345 PolarHBondContact O-N 3.33Å
342	N	85.4	Confident	86	Confident	24 Å²	24	75.1 Å²	75.1	13%	0.128	38%	0.384	C	S	.	.	H	α-helix	trans	-61.5	-37	177.6	-68.6	-3.7	0	0	0	111	T338 I339 S340 T346 T347 T349	T338-N342 WeakPolarHBondContact O-CB 3.06Å; T338-N342 VanDerWaalsContact O-CG 3.25Å; T338-N342 PolarHBondContact O-N 3.46Å; T338-N342 PolarHBondContact O-OD1 2.93Å; I339-N342 PolarHBondContact O-N 3.45Å; S340-N342 PolarHBondContact O-N 2.94Å; N342-T346 PolarHBondContact O-N 2.85Å; N342-T347 WeakPolarHBondContact CA-O 3.46Å; N342-T347 WeakPolarHBondContact CB-O 3.33Å; N342-T347 PolarHBondContact OD1-O 3.35Å; N342-T347 PolarHBondContact OD1-OG1 2.87Å; N342-T349 PolarHBondContact ND2-O 2.84Å; N342-T349 PolarHBondContact OD1-N 3.36Å
343	R	82.7	Confident	85.9	Confident	215 Å²	215	78.3 Å²	78.3	81%	0.811	40%	0.398	S	S	*	.	H	α-helix	trans	-66.1	-36.7	175.5	-171	179.2	-179	178.7	0.9	113.4	I339 S340 K341	I339-R343 PolarHBondContact O-N 2.8Å; I339-R343 VanDerWaalsContact O-N 3.15Å; S340-R343 WeakPolarHBondContact O-CB 3.44Å; S340-R343 PolarHBondContact O-N 2.91Å; K341-R343 PolarHBondContact O-N 2.93Å
344	F	82.3	Confident	85.9	Confident	163 Å²	163	80.4 Å²	80.4	72%	0.715	41%	0.408	S	S	*	.	H	α-helix	trans	-93.4	-35.8	-175.3	-69.3	-68.4	0	0	0	114.4	S340 K341	S340-F344 WeakPolarHBondContact O-CD2 3.33Å; S340-F344 PolarHBondContact O-N 3.2Å; K341-F344 PolarHBondContact O-N 3.34Å
345	L	78.9	Confident	86	Confident	114 Å²	114	85 Å²	85	60%	0.597	43%	0.427	S	S	*	.	H	α-helix	trans	-108	1.9	-170.8	-63.3	172.1	0	0	0	113.2	K341 T347	K341-L345 WeakPolarHBondContact O-CB 3.43Å; K341-L345 PolarHBondContact O-N 3.33Å; L345-T347 HydrophobicContact CB-CG2 4.28Å; L345-T347 PolarHBondContact O-N 3.1Å
346	T	72.4	Confident	86.2	Confident	132 Å²	132	85.4 Å²	85.4	81%	0.81	43%	0.43	S	S	*	.			trans	50.5	30.6	-175	38.1	0	0	0	0	112.8	N342	N342-T346 PolarHBondContact O-N 2.85Å
347	T	70.4	Confident	86.4	Confident	55 Å²	55	83.6 Å²	83.6	34%	0.337	42%	0.415	S	S	.	.			trans	-79.7	132.8	170.6	37.5	0	0	0	0	107.4	N342 L345 T349	N342-T347 WeakPolarHBondContact CA-O 3.46Å; N342-T347 WeakPolarHBondContact CB-O 3.33Å; N342-T347 PolarHBondContact OD1-O 3.35Å; N342-T347 PolarHBondContact OD1-OG1 2.87Å; L345-T347 HydrophobicContact CB-CG2 4.28Å; L345-T347 PolarHBondContact O-N 3.1Å; T347-T349 PolarHBondContact O-N 3.39Å
348	E	83.6	Confident	86.8	Confident	111 Å²	111	85.9 Å²	85.9	52%	0.519	42%	0.424	S	S	.	.			trans	-94.6	33.3	178.2	-68.3	-178.3	174.8	0	0	111.2	L351 K355	E348-L351 HydrophobicContact CB-CD1 3.96Å; E348-L351 HydrophobicContact CG-CD1 4.19Å; E348-K355 HydrophobicContact CB-CD 3.77Å; E348-K355 WeakPolarHBondContact O-CB 3.45Å; E348-K355 IonicContact OE2-NZ 3.4Å; E348-K355 PolarHBondContact OE2-NZ 2.89Å
349	T	89.3	Confident	87.3	Confident	52 Å²	52	85.7 Å²	85.7	32%	0.319	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	134.2	-171.7	-55	0	0	0	0	110.7	T338 N342 T347 L351 Y357	T338-T349 WeakPolarHBondContact CG2-O 3.49Å; N342-T349 PolarHBondContact ND2-O 2.84Å; N342-T349 PolarHBondContact OD1-N 3.36Å; T347-T349 PolarHBondContact O-N 3.39Å; T349-L351 VanDerWaalsContact C-N 3.26Å; T349-L351 PolarHBondContact O-N 2.94Å; T349-Y357 HydrophobicContact CG2-CD2 4.01Å
350	G	89.8	Confident	87.9	Confident	1 Å²	1	82.5 Å²	82.5	1%	0.01	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.8	4.6	-179.4	0	0	0	0	0	114.9	K355 M377 Y378	G350-K355 WeakPolarHBondContact CA-O 3.1Å; G350-K355 PolarHBondContact N-O 3.28Å; G350-M377 CarbonylContact O-C 3.59Å; G350-M377 VanDerWaalsContact O-CA 3.32Å; G350-M377 WeakPolarHBondContact O-CA 3.49Å; G350-Y378 PolarHBondContact O-N 2.92Å
351	L	89.1	Confident	88.5	Confident	101 Å²	101	79.7 Å²	79.7	53%	0.529	39%	0.387	S	S	.	.	S	Bend	trans	-84.5	-23.1	-176.7	-62.9	-177.4	0	0	0	113.9	E348 T349 Y378	E348-L351 HydrophobicContact CB-CD1 3.96Å; E348-L351 HydrophobicContact CG-CD1 4.19Å; T349-L351 VanDerWaalsContact C-N 3.26Å; T349-L351 PolarHBondContact O-N 2.94Å; L351-Y378 WeakPolarHBondContact O-CE2 3.42Å
352	S	91.2	Very high	89.1	Confident	33 Å²	33	74.1 Å²	74.1	23%	0.231	36%	0.363	C	S	.	.	S	Bend	trans	-148.5	171.3	178.9	81.5	0	0	0	0	111.9	E354 K355 Y378	S352-E354 VanDerWaalsContact C-N 3.25Å; S352-E354 WeakPolarHBondContact CB-OE2 3.49Å; S352-E354 PolarHBondContact O-N 3.44Å; S352-E354 PolarHBondContact OG-N 3.25Å; S352-E354 PolarHBondContact OG-OE2 2.92Å; S352-K355 CarbonylContact O-C 3.54Å; S352-K355 VanDerWaalsContact O-C 3.22Å; S352-K355 PolarHBondContact O-N 2.85Å; S352-K355 PolarHBondContact OG-N 2.88Å; S352-Y378 VanDerWaalsContact CA-CD2 3.49Å; S352-Y378 WeakPolarHBondContact O-CB 3.36Å
353	E	90.9	Very high	89.7	Confident	116 Å²	116	73 Å²	73	54%	0.542	36%	0.357	S	S	.	.	S	Bend	trans	-66.7	-25	176.1	-67.3	-166.8	179.2	0	0	113.5	P356 Y378 R380	E353-P356 WeakPolarHBondContact O-CD 3.5Å; E353-Y378 HydrophobicContact CG-CD1 3.6Å; E353-Y378 HydrophobicContact CG-CE1 3.8Å; E353-Y378 HydrophobicContact CG-CG 4.44Å; E353-R380 PolarHBondContact O-NH2 2.7Å
354	E	92.9	Very high	90.5	Very high	150 Å²	150	64.3 Å²	64.3	70%	0.701	33%	0.328	S	S	*	.	S	Bend	trans	-77.5	-29.2	176.7	-57	72.6	-153.8	0	0	111.4	S352 P356	S352-E354 VanDerWaalsContact C-N 3.25Å; S352-E354 WeakPolarHBondContact CB-OE2 3.49Å; S352-E354 PolarHBondContact O-N 3.44Å; S352-E354 PolarHBondContact OG-N 3.25Å; S352-E354 PolarHBondContact OG-OE2 2.92Å; E354-P356 WeakPolarHBondContact O-CD 3.24Å
355	K	93.2	Very high	91.1	Very high	103 Å²	103	60 Å²	60	45%	0.448	32%	0.318	S	S	.	.	S	Bend	trans	-121.8	57.4	179.2	-60.8	-176	-176.6	179	0	111.4	E348 G350 S352	E348-K355 HydrophobicContact CB-CD 3.77Å; E348-K355 WeakPolarHBondContact O-CB 3.45Å; E348-K355 IonicContact OE2-NZ 3.4Å; E348-K355 PolarHBondContact OE2-NZ 2.89Å; G350-K355 WeakPolarHBondContact CA-O 3.1Å; G350-K355 PolarHBondContact N-O 3.28Å; S352-K355 CarbonylContact O-C 3.54Å; S352-K355 VanDerWaalsContact O-C 3.22Å; S352-K355 PolarHBondContact O-N 2.85Å; S352-K355 PolarHBondContact OG-N 2.88Å
356	P	95.2	Very high	92	Very high	15 Å²	15	55 Å²	55	10%	0.097	29%	0.292	C	S	.	.			trans	-74.9	159.8	-177.4	34.6	-36	0	0	0	110.9	E353 E354 L358 Y378 R380	E353-P356 WeakPolarHBondContact O-CD 3.5Å; E354-P356 WeakPolarHBondContact O-CD 3.24Å; P356-L358 HydrophobicContact CG-CD2 4.38Å; P356-Y378 CarbonylContact C-O 3.55Å; P356-Y378 WeakPolarHBondContact CA-O 3.35Å; P356-R380 HydrophobicContact CB-CB 3.86Å; P356-R380 HydrophobicContact CG-CB 3.61Å
357	Y	95.1	Very high	93.2	Very high	65 Å²	65	52 Å²	52	26%	0.255	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	131.6	164.2	-175.3	-80.7	0	0	0	110.2	L334 T338 T349 D359 M377 Y378 L379 R380	L334-Y357 HydrophobicContact CD1-CD1 3.69Å; L334-Y357 HydrophobicContact CD1-CD2 3.86Å; L334-Y357 HydrophobicContact CD1-CE1 3.29Å; L334-Y357 HydrophobicContact CD1-CE2 3.46Å; L334-Y357 VanDerWaalsContact CD1-CE2 3.46Å; L334-Y357 HydrophobicContact CD1-CG 3.97Å; L334-Y357 HydrophobicContact CD2-CD1 4.06Å; L334-Y357 HydrophobicContact CD2-CE1 4.12Å; L334-Y357 HydrophobicContact CG-CD1 4.42Å; L334-Y357 HydrophobicContact CG-CE1 4.34Å; T338-Y357 HydrophobicContact CG2-CD2 4.33Å; T349-Y357 HydrophobicContact CG2-CD2 4.01Å; Y357-D359 HydrophobicContact CD1-CB 4.41Å; Y357-D359 PolarHBondContact O-N 2.7Å; Y357-M377 HydrophobicContact CD1-CE 4.31Å; Y357-M377 HydrophobicContact CD2-CE 3.72Å; Y357-M377 HydrophobicContact CG-CE 3.5Å; Y357-Y378 PolarHBondContact N-O 3.1Å; Y357-L379 HydrophobicContact CD1-CD2 4.33Å; Y357-L379 HydrophobicContact CG-CD2 4.45Å; Y357-L379 CarbonylContact O-C 3.55Å; Y357-L379 WeakPolarHBondContact O-CA 3.48Å; Y357-R380 PolarHBondContact O-N 3.49Å
358	L	96.1	Very high	94.4	Very high	93 Å²	93	50.6 Å²	50.6	49%	0.487	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	93.7	-179.3	-58.1	-176.6	0	0	0	111	P356 P360 R380	P356-L358 HydrophobicContact CG-CD2 4.38Å; L358-P360 WeakPolarHBondContact O-CD 3.16Å; L358-R380 CarbonylContact C-O 3.51Å; L358-R380 VanDerWaalsContact CA-O 3.27Å; L358-R380 WeakPolarHBondContact CA-O 3.13Å; L358-R380 HydrophobicContact CD2-CB 3.99Å; L358-R380 HydrophobicContact CD2-CG 4.41Å
359	D	97.6	Very high	94.9	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	114.9	-178.8	-175.4	-8.4	0	0	0	110.6	R327 Y330 Y357 C361 L362 R380 G381 R382	R327-D359 IonicContact CZ-OD2 3.72Å; R327-D359 IonicContact NH1-OD2 3.24Å; R327-D359 PolarHBondContact NH1-OD2 2.79Å; R327-D359 IonicContact NH2-OD2 3.65Å; R327-D359 PolarHBondContact NH2-OD2 3.29Å; Y330-D359 PolarHBondContact OH-OD1 3.13Å; Y357-D359 HydrophobicContact CD1-CB 4.41Å; Y357-D359 PolarHBondContact O-N 2.7Å; D359-C361 PolarHBondContact O-N 3.12Å; D359-C361 WeakPolarHBondContact OD1-CA 3.43Å; D359-C361 VanDerWaalsContact OD1-CB 3.23Å; D359-C361 WeakPolarHBondContact OD1-CB 3.45Å; D359-C361 PolarHBondContact OD1-N 2.83Å; D359-L362 HydrophobicContact CB-CB 4.34Å; D359-L362 HydrophobicContact CB-CD1 4.06Å; D359-L362 HydrophobicContact CB-CG 4.24Å; D359-L362 PolarHBondContact O-N 2.88Å; D359-L362 WeakPolarHBondContact OD2-CG 3.46Å; D359-R380 PolarHBondContact N-O 3.04Å; D359-G381 WeakPolarHBondContact O-CA 3.49Å; D359-R382 PolarHBondContact O-N 2.97Å
360	P	98.2	Very high	95.1	Very high	13 Å²	13	46.3 Å²	46.3	8%	0.084	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-23.7	175.6	29.2	-35.3	0	0	0	113.4	L358 D384 R387 C388	L358-P360 WeakPolarHBondContact O-CD 3.16Å; P360-D384 HydrophobicContact CB-CB 4.16Å; P360-D384 PolarHBondContact O-N 3.05Å; P360-D384 VanDerWaalsContact O-N 3.12Å; P360-R387 HydrophobicContact CB-CB 3.77Å; P360-R387 HydrophobicContact CG-CB 4.32Å; P360-C388 HydrophobicContact CB-CB 4.49Å
361	C	98.4	Very high	95.1	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-0	-175.7	-64.9	0	0	0	0	114.6	D359 C388 C482 F483	D359-C361 PolarHBondContact O-N 3.12Å; D359-C361 WeakPolarHBondContact OD1-CA 3.43Å; D359-C361 VanDerWaalsContact OD1-CB 3.23Å; D359-C361 WeakPolarHBondContact OD1-CB 3.45Å; D359-C361 PolarHBondContact OD1-N 2.83Å; C361-C388 WeakPolarHBondContact CA-SG 3.27Å; C361-C388 HydrophobicContact CB-CB 3.97Å; C361-C388 WeakPolarHBondContact CB-SG 3.48Å; C361-C388 WeakPolarHBondContact SG-CA 3.42Å; C361-C388 WeakPolarHBondContact SG-CB 3.24Å; C361-C388 CovalentContact SG-SG 2.03Å; C361-C388 PolarHBondContact SG-SG 2.95Å; C361-C482 WeakPolarHBondContact O-CB 3.49Å; C361-F483 HydrophobicContact CB-CB 4.04Å; C361-F483 HydrophobicContact CB-CD2 3.92Å; C361-F483 PolarHBondContact O-N 2.88Å
362	L	98.4	Very high	94.8	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.263	C	S	.	.	S	Bend	trans	-104.7	148.2	171.4	-74.8	174.7	0	0	0	111	D359 M366 D368 L379 G381 R382 G383 K479	D359-L362 HydrophobicContact CB-CB 4.34Å; D359-L362 HydrophobicContact CB-CD1 4.06Å; D359-L362 HydrophobicContact CB-CG 4.24Å; D359-L362 PolarHBondContact O-N 2.88Å; D359-L362 WeakPolarHBondContact OD2-CG 3.46Å; L362-M366 HydrophobicContact CD2-SD 4.3Å; L362-D368 HydrophobicContact CD1-CB 3.88Å; L362-L379 HydrophobicContact CD1-CB 4.15Å; L362-L379 HydrophobicContact CD1-CD1 3.95Å; L362-G381 WeakPolarHBondContact O-CA 3.14Å; L362-R382 PolarHBondContact O-N 3Å; L362-G383 VanDerWaalsContact O-CA 3.31Å; L362-G383 WeakPolarHBondContact O-CA 3.41Å; L362-G383 PolarHBondContact O-N 2.98Å; L362-K479 HydrophobicContact CD2-CG 4.16Å
363	P	98.4	Very high	94.4	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.287	C	S	.	.			trans	-55.1	150.4	176.9	-25.4	33.7	0	0	0	113.7	S365 M366 G381 W457 L460 K479	P363-S365 PolarHBondContact O-N 2.79Å; P363-M366 HydrophobicContact CB-CB 4.45Å; P363-M366 HydrophobicContact CG-SD 4.33Å; P363-M366 VanDerWaalsContact O-CB 3.28Å; P363-M366 WeakPolarHBondContact O-CB 3.22Å; P363-M366 PolarHBondContact O-N 3.2Å; P363-M366 VanDerWaalsContact O-N 3.09Å; P363-G381 CarbonylContact O-C 3.59Å; P363-G381 VanDerWaalsContact O-CA 3.28Å; P363-G381 WeakPolarHBondContact O-CA 3.34Å; P363-W457 HydrophobicContact CB-CE3 4.02Å; P363-W457 HydrophobicContact CG-CE3 4Å; P363-W457 HydrophobicContact CG-CZ3 4.19Å; P363-L460 HydrophobicContact CB-CD1 3.78Å; P363-L460 HydrophobicContact CG-CD1 4.14Å; P363-K479 VanDerWaalsContact CD-O 3.3Å; P363-K479 WeakPolarHBondContact CD-O 3.37Å
364	V	98.1	Very high	94	Very high	33 Å²	33	54.2 Å²	54.2	20%	0.2	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-51.6	129.2	-177.6	173.8	0	0	0	0	111.9	M366 R382 C453 K456 W457	V364-M366 PolarHBondContact O-N 3.41Å; V364-M366 VanDerWaalsContact O-N 3.17Å; V364-R382 WeakPolarHBondContact CG2-O 3.33Å; V364-C453 WeakPolarHBondContact CG2-O 3.21Å; V364-C453 PolarHBondContact N-O 3.26Å; V364-K456 HydrophobicContact CG1-CG 4.26Å; V364-W457 PolarHBondContact O-N 3.25Å
365	S	96.6	Very high	93.5	Very high	73 Å²	73	52.8 Å²	52.8	51%	0.51	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.3	12.4	176.5	-51	0	0	0	0	115.1	P363 S367 G381	P363-S365 PolarHBondContact O-N 2.79Å; S365-S367 PolarHBondContact O-N 3.13Å; S365-G381 PolarHBondContact N-O 2.86Å
366	M	96.9	Very high	93.4	Very high	10 Å²	10	50.7 Å²	50.7	5%	0.049	29%	0.292	C	S	.	.			trans	-71.4	125.2	171	-176.8	171.8	-174.7	0	0	110.1	L362 P363 V364 R380 G381 W457 K479	L362-M366 HydrophobicContact CD2-SD 4.3Å; P363-M366 HydrophobicContact CB-CB 4.45Å; P363-M366 HydrophobicContact CG-SD 4.33Å; P363-M366 VanDerWaalsContact O-CB 3.28Å; P363-M366 WeakPolarHBondContact O-CB 3.22Å; P363-M366 PolarHBondContact O-N 3.2Å; P363-M366 VanDerWaalsContact O-N 3.09Å; V364-M366 PolarHBondContact O-N 3.41Å; V364-M366 VanDerWaalsContact O-N 3.17Å; M366-R380 CarbonylContact O-C 3.51Å; M366-R380 VanDerWaalsContact O-CA 3.3Å; M366-R380 WeakPolarHBondContact O-CA 3.33Å; M366-G381 PolarHBondContact O-N 3.06Å; M366-W457 HydrophobicContact CB-CB 3.94Å; M366-W457 HydrophobicContact CB-CD2 4.11Å; M366-W457 HydrophobicContact CB-CE3 4.46Å; M366-W457 HydrophobicContact CB-CG 3.86Å; M366-W457 HydrophobicContact CE-CD2 4.44Å; M366-W457 HydrophobicContact CE-CH2 3.9Å; M366-W457 HydrophobicContact CE-CZ2 3.65Å; M366-W457 HydrophobicContact CE-CZ3 4.37Å; M366-W457 HydrophobicContact CG-CD2 3.91Å; M366-W457 HydrophobicContact CG-CE3 4.35Å; M366-W457 HydrophobicContact CG-CG 4Å; M366-W457 HydrophobicContact SD-CD2 3.86Å; M366-W457 HydrophobicContact SD-CE3 3.78Å; M366-W457 HydrophobicContact SD-CH2 3.98Å; M366-W457 HydrophobicContact SD-CZ2 4.04Å; M366-W457 HydrophobicContact SD-CZ3 3.83Å; M366-K479 HydrophobicContact CE-CB 3.77Å; M366-K479 HydrophobicContact CE-CD 3.47Å; M366-K479 VanDerWaalsContact CE-CD 3.47Å; M366-K479 HydrophobicContact CE-CG 3.37Å; M366-K479 HydrophobicContact SD-CB 4.14Å; M366-K479 HydrophobicContact SD-CG 3.8Å
367	S	96.9	Very high	93.2	Very high	68 Å²	68	50.8 Å²	50.8	48%	0.476	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	140.5	167.7	-60.4	0	0	0	0	110.1	S365 L379	S365-S367 PolarHBondContact O-N 3.13Å; S367-L379 WeakPolarHBondContact CA-O 3.47Å
368	D	96.1	Very high	93.3	Very high	25 Å²	25	51.1 Å²	51.1	13%	0.134	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	165.3	176.1	-165.3	26.2	0	0	0	110.6	L362 L379 K479	L362-D368 HydrophobicContact CD1-CB 3.88Å; D368-L379 HydrophobicContact CB-CB 4.22Å; D368-L379 HydrophobicContact CB-CD1 4.42Å; D368-L379 PolarHBondContact N-O 3.37Å; D368-L379 VanDerWaalsContact N-O 3.1Å; D368-L379 PolarHBondContact O-N 3.29Å; D368-K479 WeakPolarHBondContact OD1-CE 3.35Å; D368-K479 IonicContact OD1-NZ 3.13Å; D368-K479 PolarHBondContact OD1-NZ 3.09Å; D368-K479 WeakPolarHBondContact OD2-CE 3.37Å; D368-K479 IonicContact OD2-NZ 3.89Å; D368-K479 PolarHBondContact OD2-NZ 3.25Å
369	T	95	Very high	93.3	Very high	68 Å²	68	46.8 Å²	46.8	42%	0.417	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	143.4	177.1	55.7	0	0	0	0	112	T376 M377 Y378	T369-T376 HydrophobicContact CG2-CG2 4.21Å; T369-M377 CarbonylContact C-O 3.5Å; T369-M377 VanDerWaalsContact CA-O 3.27Å; T369-M377 WeakPolarHBondContact CA-O 3.4Å; T369-Y378 HydrophobicContact CG2-CD1 3.7Å; T369-Y378 HydrophobicContact CG2-CE1 3.99Å; T369-Y378 HydrophobicContact CG2-CG 4.39Å
370	I	93.1	Very high	93.3	Very high	6 Å²	6	50.9 Å²	50.9	3%	0.031	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	118.3	168.9	-58.2	166.4	0	0	0	107.6	E331 L334 R372 T376 M377 L379	E331-I370 HydrophobicContact CB-CD1 3.74Å; E331-I370 HydrophobicContact CB-CG1 4.25Å; E331-I370 HydrophobicContact CG-CD1 3.85Å; E331-I370 HydrophobicContact CG-CG1 4.22Å; L334-I370 HydrophobicContact CD2-CD1 4.13Å; I370-R372 HydrophobicContact CG2-CG 4.17Å; I370-T376 WeakPolarHBondContact O-CA 3.31Å; I370-M377 HydrophobicContact CB-CB 4.4Å; I370-M377 PolarHBondContact N-O 3.43Å; I370-M377 PolarHBondContact O-N 3.39Å; I370-L379 HydrophobicContact CD1-CD1 3.75Å; I370-L379 HydrophobicContact CD1-CD2 4.14Å; I370-L379 HydrophobicContact CD1-CG 4.27Å; I370-L379 HydrophobicContact CG1-CD1 3.84Å; I370-L379 HydrophobicContact CG1-CG 4.34Å
371	T	90.1	Very high	93.3	Very high	77 Å²	77	50.5 Å²	50.5	47%	0.472	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	125.1	175.3	-51.8	0	0	0	0	110.5	H375	T371-H375 WeakPolarHBondContact CA-O 3.06Å
372	R	82.5	Confident	93.3	Very high	104 Å²	104	55.9 Å²	55.9	39%	0.392	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	107.1	177.2	-69.8	-67.1	-178.4	-112.3	4.3	110.2	D332 I370 N374 H375	D332-R372 IonicContact OD1-CZ 3.32Å; D332-R372 IonicContact OD1-NE 2.69Å; D332-R372 PolarHBondContact OD1-NE 2.87Å; D332-R372 IonicContact OD1-NH2 3.89Å; D332-R372 PolarHBondContact OD1-NH2 2.88Å; D332-R372 IonicContact OD2-NH2 3.2Å; I370-R372 HydrophobicContact CG2-CG 4.17Å; R372-N374 PolarHBondContact O-N 3.16Å; R372-H375 PolarHBondContact N-O 2.91Å; R372-H375 PolarHBondContact O-N 3.46Å
373	G	81.8	Confident	93.3	Very high	70 Å²	70	56.2 Å²	56.2	72%	0.722	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	-121.8	-171.5	0	0	0	0	0	110.1
374	N	82.3	Confident	93.3	Very high	165 Å²	165	58.2 Å²	58.2	88%	0.882	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	1.2	179	-66	-4.1	0	0	0	114.1	R372	R372-N374 PolarHBondContact O-N 3.16Å
375	H	82.8	Confident	93.3	Very high	121 Å²	121	56.9 Å²	56.9	56%	0.56	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.5	130.3	-179.9	-60.6	91.2	0	0	0	110.3	T371 R372	T371-H375 WeakPolarHBondContact CA-O 3.06Å; R372-H375 PolarHBondContact N-O 2.91Å; R372-H375 PolarHBondContact O-N 3.46Å
376	T	90.8	Very high	93.4	Very high	59 Å²	59	55.5 Å²	55.5	36%	0.362	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	126	171	-61.1	0	0	0	0	108.6	T369 I370 Y378	T369-T376 HydrophobicContact CG2-CG2 4.21Å; I370-T376 WeakPolarHBondContact O-CA 3.31Å; T376-Y378 HydrophobicContact CG2-CE2 4.3Å
377	M	92.9	Very high	93.5	Very high	16 Å²	16	60.8 Å²	60.8	8%	0.079	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	127.1	177.1	179.8	176.6	173.7	0	0	109.8	L334 A335 T338 G350 Y357 T369 I370 L379	L334-M377 HydrophobicContact CD1-CE 4.04Å; L334-M377 HydrophobicContact CD2-CE 4.35Å; L334-M377 HydrophobicContact CG-CE 3.89Å; L334-M377 HydrophobicContact CG-SD 4.47Å; A335-M377 HydrophobicContact CB-SD 4.24Å; T338-M377 HydrophobicContact CG2-CE 3.77Å; T338-M377 HydrophobicContact CG2-SD 4.42Å; T338-M377 WeakPolarHBondContact OG1-CE 3.38Å; G350-M377 CarbonylContact O-C 3.59Å; G350-M377 VanDerWaalsContact O-CA 3.32Å; G350-M377 WeakPolarHBondContact O-CA 3.49Å; Y357-M377 HydrophobicContact CD1-CE 4.31Å; Y357-M377 HydrophobicContact CD2-CE 3.72Å; Y357-M377 HydrophobicContact CG-CE 3.5Å; T369-M377 CarbonylContact C-O 3.5Å; T369-M377 VanDerWaalsContact CA-O 3.27Å; T369-M377 WeakPolarHBondContact CA-O 3.4Å; I370-M377 HydrophobicContact CB-CB 4.4Å; I370-M377 PolarHBondContact N-O 3.43Å; I370-M377 PolarHBondContact O-N 3.39Å; M377-L379 HydrophobicContact CE-CD2 3.79Å; M377-L379 HydrophobicContact CG-CD2 4.17Å; M377-L379 HydrophobicContact SD-CD2 4.35Å
378	Y	95.7	Very high	93.5	Very high	72 Å²	72	57.6 Å²	57.6	28%	0.282	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	130.8	179	-62	-94.2	0	0	0	110.8	G350 L351 S352 E353 P356 Y357 T369 T376	G350-Y378 PolarHBondContact O-N 2.92Å; L351-Y378 WeakPolarHBondContact O-CE2 3.42Å; S352-Y378 VanDerWaalsContact CA-CD2 3.49Å; S352-Y378 WeakPolarHBondContact O-CB 3.36Å; E353-Y378 HydrophobicContact CG-CD1 3.6Å; E353-Y378 HydrophobicContact CG-CE1 3.8Å; E353-Y378 HydrophobicContact CG-CG 4.44Å; P356-Y378 CarbonylContact C-O 3.55Å; P356-Y378 WeakPolarHBondContact CA-O 3.35Å; Y357-Y378 PolarHBondContact N-O 3.1Å; T369-Y378 HydrophobicContact CG2-CD1 3.7Å; T369-Y378 HydrophobicContact CG2-CE1 3.99Å; T369-Y378 HydrophobicContact CG2-CG 4.39Å; T376-Y378 HydrophobicContact CG2-CE2 4.3Å
379	L	96.9	Very high	93.6	Very high	3 Å²	3	57.5 Å²	57.5	2%	0.016	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	150.3	179.6	-52.6	-176.5	0	0	0	110.8	L334 Y357 L362 S367 D368 I370 M377	L334-L379 HydrophobicContact CD2-CD2 3.95Å; Y357-L379 HydrophobicContact CD1-CD2 4.33Å; Y357-L379 HydrophobicContact CG-CD2 4.45Å; Y357-L379 CarbonylContact O-C 3.55Å; Y357-L379 WeakPolarHBondContact O-CA 3.48Å; L362-L379 HydrophobicContact CD1-CB 4.15Å; L362-L379 HydrophobicContact CD1-CD1 3.95Å; S367-L379 WeakPolarHBondContact CA-O 3.47Å; D368-L379 HydrophobicContact CB-CB 4.22Å; D368-L379 HydrophobicContact CB-CD1 4.42Å; D368-L379 PolarHBondContact N-O 3.37Å; D368-L379 VanDerWaalsContact N-O 3.1Å; D368-L379 PolarHBondContact O-N 3.29Å; I370-L379 HydrophobicContact CD1-CD1 3.75Å; I370-L379 HydrophobicContact CD1-CD2 4.14Å; I370-L379 HydrophobicContact CD1-CG 4.27Å; I370-L379 HydrophobicContact CG1-CD1 3.84Å; I370-L379 HydrophobicContact CG1-CG 4.34Å; M377-L379 HydrophobicContact CE-CD2 3.79Å; M377-L379 HydrophobicContact CG-CD2 4.17Å; M377-L379 HydrophobicContact SD-CD2 4.35Å
380	R	98	Very high	93.7	Very high	85 Å²	85	60.7 Å²	60.7	32%	0.321	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	125.3	167	-175.7	169.5	-68.9	141.8	7.5	110.1	E353 P356 Y357 L358 D359 M366	E353-R380 PolarHBondContact O-NH2 2.7Å; P356-R380 HydrophobicContact CB-CB 3.86Å; P356-R380 HydrophobicContact CG-CB 3.61Å; Y357-R380 PolarHBondContact O-N 3.49Å; L358-R380 CarbonylContact C-O 3.51Å; L358-R380 VanDerWaalsContact CA-O 3.27Å; L358-R380 WeakPolarHBondContact CA-O 3.13Å; L358-R380 HydrophobicContact CD2-CB 3.99Å; L358-R380 HydrophobicContact CD2-CG 4.41Å; D359-R380 PolarHBondContact N-O 3.04Å; M366-R380 CarbonylContact O-C 3.51Å; M366-R380 VanDerWaalsContact O-CA 3.3Å; M366-R380 WeakPolarHBondContact O-CA 3.33Å
381	G	98.2	Very high	93.9	Very high	6 Å²	6	62 Å²	62	6%	0.062	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	133.4	-177.2	0	0	0	0	0	112.8	D359 L362 P363 S365 M366	D359-G381 WeakPolarHBondContact O-CA 3.49Å; L362-G381 WeakPolarHBondContact O-CA 3.14Å; P363-G381 CarbonylContact O-C 3.59Å; P363-G381 VanDerWaalsContact O-CA 3.28Å; P363-G381 WeakPolarHBondContact O-CA 3.34Å; S365-G381 PolarHBondContact N-O 2.86Å; M366-G381 PolarHBondContact O-N 3.06Å
382	R	97.9	Very high	94.2	Very high	112 Å²	112	58.3 Å²	58.3	42%	0.423	30%	0.295	S	S	.	.			trans	-99.4	-19	177.5	179.6	179.2	177.5	153.3	6.5	112.4	D359 L362 V364 D384 R387	D359-R382 PolarHBondContact O-N 2.97Å; L362-R382 PolarHBondContact O-N 3Å; V364-R382 WeakPolarHBondContact CG2-O 3.33Å; R382-D384 VanDerWaalsContact C-N 3.28Å; R382-D384 HydrophobicContact CG-CB 4.17Å; R382-D384 IonicContact NE-OD2 3.99Å; R382-D384 PolarHBondContact O-N 3.44Å; R382-R387 VanDerWaalsContact NH1-NH1 3.18Å; R382-R387 VanDerWaalsContact NH2-CZ 3.34Å
383	G	98.2	Very high	94.8	Very high	7 Å²	7	59 Å²	59	7%	0.072	30%	0.298	C	S	.	.			trans	62.6	30.8	177.1	0	0	0	0	0	114.5	L362 C453	L362-G383 VanDerWaalsContact O-CA 3.31Å; L362-G383 WeakPolarHBondContact O-CA 3.41Å; L362-G383 PolarHBondContact O-N 2.98Å; G383-C453 WeakPolarHBondContact CA-O 3.42Å; G383-C453 CarbonylContact O-C 3.56Å
384	D	98.6	Very high	95.4	Very high	43 Å²	43	59.7 Å²	59.7	23%	0.23	29%	0.29	C	S	.	.			trans	-100	87.7	-178.4	-171.5	-27.3	0	0	0	109.1	P360 R382 S386 R387 C388	P360-D384 HydrophobicContact CB-CB 4.16Å; P360-D384 PolarHBondContact O-N 3.05Å; P360-D384 VanDerWaalsContact O-N 3.12Å; R382-D384 VanDerWaalsContact C-N 3.28Å; R382-D384 HydrophobicContact CG-CB 4.17Å; R382-D384 IonicContact NE-OD2 3.99Å; R382-D384 PolarHBondContact O-N 3.44Å; D384-S386 VanDerWaalsContact C-N 3.3Å; D384-S386 PolarHBondContact O-N 2.95Å; D384-R387 HydrophobicContact CB-CB 4.14Å; D384-R387 HydrophobicContact CB-CG 4.39Å; D384-R387 VanDerWaalsContact CG-CG 3.48Å; D384-R387 PolarHBondContact O-N 3.22Å; D384-R387 PolarHBondContact OD1-N 2.87Å; D384-R387 VanDerWaalsContact OD1-N 3.07Å; D384-R387 WeakPolarHBondContact OD2-CD 3.37Å; D384-R387 VanDerWaalsContact OD2-CG 3.31Å; D384-R387 WeakPolarHBondContact OD2-CG 3.17Å; D384-R387 IonicContact OD2-NE 3.19Å; D384-R387 PolarHBondContact OD2-NE 2.86Å; D384-C388 PolarHBondContact O-N 3.49Å
385	W	98.6	Very high	95.9	Very high	5 Å²	5	52.5 Å²	52.5	2%	0.019	25%	0.25	C	S	.	.	H	α-helix	trans	-61.2	-37.1	-173.3	-174	82	0	0	0	112.8	C388 Q389 Y445 A446 A449 K450 C453 S485 Y489	W385-C388 WeakPolarHBondContact O-CA 3.43Å; W385-C388 VanDerWaalsContact O-CB 3.31Å; W385-C388 WeakPolarHBondContact O-CB 3.32Å; W385-C388 PolarHBondContact O-N 3.44Å; W385-C388 VanDerWaalsContact O-N 3.13Å; W385-Q389 HydrophobicContact CD2-CG 4.25Å; W385-Q389 HydrophobicContact CE3-CG 4.14Å; W385-Q389 HydrophobicContact CH2-CG 4.12Å; W385-Q389 HydrophobicContact CZ2-CG 4.17Å; W385-Q389 HydrophobicContact CZ3-CG 4.1Å; W385-Q389 VanDerWaalsContact CZ3-NE2 3.34Å; W385-Q389 WeakPolarHBondContact O-CG 3.48Å; W385-Q389 PolarHBondContact O-N 2.95Å; W385-Y445 HydrophobicContact CZ2-CE1 4.21Å; W385-A446 HydrophobicContact CH2-CB 3.7Å; W385-A446 HydrophobicContact CZ3-CB 3.7Å; W385-A449 HydrophobicContact CD2-CB 4.1Å; W385-A449 HydrophobicContact CG-CB 4.25Å; W385-A449 HydrophobicContact CZ2-CB 4.03Å; W385-K450 HydrophobicContact CB-CG 3.97Å; W385-K450 HydrophobicContact CD2-CG 4.18Å; W385-K450 HydrophobicContact CE3-CD 4.28Å; W385-K450 HydrophobicContact CE3-CG 3.65Å; W385-K450 HydrophobicContact CG-CG 4.35Å; W385-K450 HydrophobicContact CZ3-CG 4.45Å; W385-C453 HydrophobicContact CB-CB 4.17Å; W385-S485 PolarHBondContact NE1-OG 2.93Å; W385-Y489 AromaticContact CH2-CD2 3.74Å; W385-Y489 HydrophobicContact CH2-CD2 3.74Å; W385-Y489 HydrophobicContact CH2-CE2 4.15Å; W385-Y489 AromaticContact CH2-CG 3.94Å; W385-Y489 HydrophobicContact CH2-CG 3.94Å; W385-Y489 HydrophobicContact CZ2-CD2 4.21Å; W385-Y489 HydrophobicContact CZ2-CG 4.21Å
386	S	98.3	Very high	96.4	Very high	44 Å²	44	46.7 Å²	46.7	31%	0.308	22%	0.224	S	C	.	.	H	α-helix	trans	-66.6	-42.7	177.7	-71.9	0	0	0	0	112.2	D384 C388 Q389 E390 K450	D384-S386 VanDerWaalsContact C-N 3.3Å; D384-S386 PolarHBondContact O-N 2.95Å; S386-C388 VanDerWaalsContact C-N 3.26Å; S386-C388 PolarHBondContact O-N 3.38Å; S386-Q389 WeakPolarHBondContact O-CB 3.4Å; S386-Q389 PolarHBondContact O-N 3.24Å; S386-E390 PolarHBondContact O-N 3.46Å; S386-K450 VanDerWaalsContact OG-CE 3.31Å; S386-K450 WeakPolarHBondContact OG-CE 3.28Å
387	R	98.3	Very high	96.3	Very high	121 Å²	121	45.2 Å²	45.2	46%	0.457	22%	0.22	S	C	.	.	H	α-helix	trans	-65.8	-30.8	170.7	-70.8	-174.1	-166.8	-140.6	-8.8	112.5	P360 R382 D384 E390 A391	P360-R387 HydrophobicContact CB-CB 3.77Å; P360-R387 HydrophobicContact CG-CB 4.32Å; R382-R387 VanDerWaalsContact NH1-NH1 3.18Å; R382-R387 VanDerWaalsContact NH2-CZ 3.34Å; D384-R387 HydrophobicContact CB-CB 4.14Å; D384-R387 HydrophobicContact CB-CG 4.39Å; D384-R387 VanDerWaalsContact CG-CG 3.48Å; D384-R387 PolarHBondContact O-N 3.22Å; D384-R387 PolarHBondContact OD1-N 2.87Å; D384-R387 VanDerWaalsContact OD1-N 3.07Å; D384-R387 WeakPolarHBondContact OD2-CD 3.37Å; D384-R387 VanDerWaalsContact OD2-CG 3.31Å; D384-R387 WeakPolarHBondContact OD2-CG 3.17Å; D384-R387 IonicContact OD2-NE 3.19Å; D384-R387 PolarHBondContact OD2-NE 2.86Å; R387-E390 PolarHBondContact O-N 2.89Å; R387-A391 WeakPolarHBondContact O-CB 3.5Å; R387-A391 PolarHBondContact O-N 2.92Å
388	C	98.6	Very high	95.9	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.9	-43.2	174.4	-176.2	0	0	0	0	111.4	P360 C361 D384 W385 S386 E390 A391 V392 A486	P360-C388 HydrophobicContact CB-CB 4.49Å; C361-C388 WeakPolarHBondContact CA-SG 3.27Å; C361-C388 HydrophobicContact CB-CB 3.97Å; C361-C388 WeakPolarHBondContact CB-SG 3.48Å; C361-C388 WeakPolarHBondContact SG-CA 3.42Å; C361-C388 WeakPolarHBondContact SG-CB 3.24Å; C361-C388 CovalentContact SG-SG 2.03Å; C361-C388 PolarHBondContact SG-SG 2.95Å; D384-C388 PolarHBondContact O-N 3.49Å; W385-C388 WeakPolarHBondContact O-CA 3.43Å; W385-C388 VanDerWaalsContact O-CB 3.31Å; W385-C388 WeakPolarHBondContact O-CB 3.32Å; W385-C388 PolarHBondContact O-N 3.44Å; W385-C388 VanDerWaalsContact O-N 3.13Å; S386-C388 VanDerWaalsContact C-N 3.26Å; S386-C388 PolarHBondContact O-N 3.38Å; C388-E390 VanDerWaalsContact C-N 3.33Å; C388-E390 PolarHBondContact O-N 2.79Å; C388-A391 PolarHBondContact O-N 2.78Å; C388-A391 VanDerWaalsContact O-N 3.09Å; C388-V392 WeakPolarHBondContact O-CG1 3.41Å; C388-V392 WeakPolarHBondContact O-CG2 3.14Å; C388-V392 PolarHBondContact O-N 2.89Å; C388-A486 HydrophobicContact CB-CB 4.14Å; C388-A486 VanDerWaalsContact SG-CB 3.59Å
389	Q	97.8	Very high	94.8	Very high	23 Å²	23	49.2 Å²	49.2	11%	0.107	24%	0.242	C	C	.	.	H	α-helix	trans	-55.5	-47.7	173.9	-68.5	-179.7	-68.8	0	0	111.9	W385 S386 A391 V392 R393 A486 E490	W385-Q389 HydrophobicContact CD2-CG 4.25Å; W385-Q389 HydrophobicContact CE3-CG 4.14Å; W385-Q389 HydrophobicContact CH2-CG 4.12Å; W385-Q389 HydrophobicContact CZ2-CG 4.17Å; W385-Q389 HydrophobicContact CZ3-CG 4.1Å; W385-Q389 VanDerWaalsContact CZ3-NE2 3.34Å; W385-Q389 WeakPolarHBondContact O-CG 3.48Å; W385-Q389 PolarHBondContact O-N 2.95Å; S386-Q389 WeakPolarHBondContact O-CB 3.4Å; S386-Q389 PolarHBondContact O-N 3.24Å; Q389-A391 VanDerWaalsContact C-N 3.29Å; Q389-A391 PolarHBondContact O-N 3.3Å; Q389-V392 WeakPolarHBondContact O-CG2 3.34Å; Q389-V392 PolarHBondContact O-N 3.48Å; Q389-R393 WeakPolarHBondContact O-CB 3.34Å; Q389-R393 PolarHBondContact O-N 3.13Å; Q389-A486 HydrophobicContact CG-CB 3.97Å; Q389-E490 HydrophobicContact CB-CG 4.16Å; Q389-E490 HydrophobicContact CG-CG 4.47Å
390	E	96.9	Very high	93.2	Very high	136 Å²	136	57.6 Å²	57.6	64%	0.636	29%	0.287	S	S	*	.	H	α-helix	trans	-59.9	-40.2	175.9	-66.9	173.6	-175.5	0	0	112	S386 R387 C388 P394	S386-E390 PolarHBondContact O-N 3.46Å; R387-E390 PolarHBondContact O-N 2.89Å; C388-E390 VanDerWaalsContact C-N 3.33Å; C388-E390 PolarHBondContact O-N 2.79Å; E390-P394 WeakPolarHBondContact O-CD 3.32Å
391	A	96.8	Very high	91.3	Very high	32 Å²	32	57.5 Å²	57.5	26%	0.264	31%	0.313	S	S	.	.	H	α-helix	trans	-71.6	-32.5	-178.5	0	0	0	0	0	113.4	Y330 R387 C388 Q389 F395	Y330-A391 HydrophobicContact CE2-CB 4.11Å; R387-A391 WeakPolarHBondContact O-CB 3.5Å; R387-A391 PolarHBondContact O-N 2.92Å; C388-A391 PolarHBondContact O-N 2.78Å; C388-A391 VanDerWaalsContact O-N 3.09Å; Q389-A391 VanDerWaalsContact C-N 3.29Å; Q389-A391 PolarHBondContact O-N 3.3Å; A391-F395 WeakPolarHBondContact O-CE2 3.26Å
392	V	97	Very high	89.5	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-87.6	-23.2	-179.8	-56.3	0	0	0	0	113.3	C388 Q389 P394 F395 F483 A486 W487 E490	C388-V392 WeakPolarHBondContact O-CG1 3.41Å; C388-V392 WeakPolarHBondContact O-CG2 3.14Å; C388-V392 PolarHBondContact O-N 2.89Å; Q389-V392 WeakPolarHBondContact O-CG2 3.34Å; Q389-V392 PolarHBondContact O-N 3.48Å; V392-P394 VanDerWaalsContact C-CD 3.45Å; V392-F395 WeakPolarHBondContact O-CB 3.38Å; V392-F395 WeakPolarHBondContact O-CD2 3.42Å; V392-F395 PolarHBondContact O-N 3.45Å; V392-F483 HydrophobicContact CG1-CD2 3.9Å; V392-F483 HydrophobicContact CG1-CE2 3.44Å; V392-F483 VanDerWaalsContact CG1-CE2 3.44Å; V392-F483 HydrophobicContact CG1-CZ 4.06Å; V392-A486 HydrophobicContact CG2-CB 4.4Å; V392-W487 HydrophobicContact CB-CE3 4.08Å; V392-W487 HydrophobicContact CG2-CE3 4.28Å; V392-E490 HydrophobicContact CG2-CB 4.26Å; V392-E490 HydrophobicContact CG2-CG 3.92Å
393	R	95	Very high	88	Confident	119 Å²	119	59 Å²	59	45%	0.449	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-52.2	-41.5	-178.7	-177.5	176.8	-72.1	172.7	2	114.4	Q389 F395 L396 E490	Q389-R393 WeakPolarHBondContact O-CB 3.34Å; Q389-R393 PolarHBondContact O-N 3.13Å; R393-F395 PolarHBondContact O-N 2.86Å; R393-L396 WeakPolarHBondContact O-CB 3.41Å; R393-L396 PolarHBondContact O-N 2.8Å; R393-L396 VanDerWaalsContact O-N 3.15Å; R393-E490 IonicContact CZ-OE1 2.67Å; R393-E490 IonicContact CZ-OE2 2.73Å; R393-E490 IonicContact NE-OE1 3.96Å; R393-E490 IonicContact NE-OE2 3.24Å; R393-E490 PolarHBondContact NE-OE2 3.1Å; R393-E490 IonicContact NH2-OE1 3.3Å; R393-E490 PolarHBondContact NH2-OE1 2.68Å; R393-E490 IonicContact NH2-OE2 2.79Å; R393-E490 PolarHBondContact NH2-OE2 3.02Å
394	P	93.6	Very high	87	Confident	85 Å²	85	58.7 Å²	58.7	55%	0.552	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-59.5	-27.3	177.5	-26.2	35.9	0	0	0	114.4	E390 V392 L396 G397	E390-P394 WeakPolarHBondContact O-CD 3.32Å; V392-P394 VanDerWaalsContact C-CD 3.45Å; P394-L396 PolarHBondContact O-N 2.98Å; P394-G397 PolarHBondContact O-N 2.83Å; P394-G397 VanDerWaalsContact O-N 3.12Å
395	F	93.9	Very high	86.1	Confident	13 Å²	13	56.6 Å²	56.6	6%	0.057	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-72	-12.4	-179	-65.8	-92	0	0	0	113.5	R329 Y330 Q333 A391 V392 R393 G397 W487	R329-F395 HydrophobicContact CB-CD1 4.02Å; R329-F395 HydrophobicContact CB-CE1 4.1Å; R329-F395 PolarHBondContact NH2-O 3.47Å; R329-F395 WeakPolarHBondContact O-CE1 3.48Å; Y330-F395 VanDerWaalsContact CA-CZ 3.49Å; Y330-F395 AromaticContact CD2-CE2 3.79Å; Y330-F395 HydrophobicContact CD2-CE2 3.79Å; Y330-F395 HydrophobicContact CD2-CZ 4.1Å; Q333-F395 HydrophobicContact CB-CE1 4.06Å; Q333-F395 HydrophobicContact CB-CZ 3.8Å; Q333-F395 HydrophobicContact CG-CZ 4.17Å; A391-F395 WeakPolarHBondContact O-CE2 3.26Å; V392-F395 WeakPolarHBondContact O-CB 3.38Å; V392-F395 WeakPolarHBondContact O-CD2 3.42Å; V392-F395 PolarHBondContact O-N 3.45Å; R393-F395 PolarHBondContact O-N 2.86Å; F395-G397 VanDerWaalsContact C-N 3.25Å; F395-W487 HydrophobicContact CB-CH2 4.11Å; F395-W487 HydrophobicContact CB-CZ3 3.83Å
396	L	92.4	Very high	85.4	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-68.7	-24.3	170.6	-64.6	175.2	0	0	0	112.4	R393 P394 L398 P405 Q406 W487 E490 V491	R393-L396 WeakPolarHBondContact O-CB 3.41Å; R393-L396 PolarHBondContact O-N 2.8Å; R393-L396 VanDerWaalsContact O-N 3.15Å; P394-L396 PolarHBondContact O-N 2.98Å; L396-L398 HydrophobicContact CB-CD1 4.43Å; L396-L398 HydrophobicContact CB-CD2 4.17Å; L396-L398 HydrophobicContact CB-CG 3.86Å; L396-L398 HydrophobicContact CD1-CD1 4.08Å; L396-L398 HydrophobicContact CD1-CG 4.37Å; L396-L398 PolarHBondContact O-N 3.09Å; L396-P405 HydrophobicContact CD2-CG 4.36Å; L396-P405 CarbonylContact O-C 3.56Å; L396-P405 VanDerWaalsContact O-CA 3.27Å; L396-P405 WeakPolarHBondContact O-CA 3.4Å; L396-P405 WeakPolarHBondContact O-CB 3.46Å; L396-Q406 PolarHBondContact O-N 3.25Å; L396-W487 HydrophobicContact CD2-CH2 3.66Å; L396-W487 HydrophobicContact CD2-CZ2 4.38Å; L396-W487 HydrophobicContact CD2-CZ3 3.72Å; L396-W487 HydrophobicContact CG-CH2 4.33Å; L396-W487 HydrophobicContact CG-CZ3 4.07Å; L396-E490 HydrophobicContact CD1-CB 4.14Å; L396-V491 HydrophobicContact CD2-CG2 3.77Å
397	G	89.6	Confident	84.5	Confident	28 Å²	28	60 Å²	60	29%	0.289	33%	0.331	S	S	.	.			trans	61.1	42.2	-177.5	0	0	0	0	0	112.8	P394 F395 H399 Q406	P394-G397 PolarHBondContact O-N 2.83Å; P394-G397 VanDerWaalsContact O-N 3.12Å; F395-G397 VanDerWaalsContact C-N 3.25Å; G397-H399 PolarHBondContact O-CD2 3.35Å; G397-Q406 VanDerWaalsContact O-CA 3.29Å; G397-Q406 WeakPolarHBondContact O-CA 3.37Å; G397-Q406 PolarHBondContact O-N 3.41Å
398	L	84.7	Confident	83.9	Confident	57 Å²	57	56.5 Å²	56.5	30%	0.298	32%	0.321	S	S	.	.			trans	-69.9	132.6	178	-59.2	176.8	0	0	0	109.9	L396	L396-L398 HydrophobicContact CB-CD1 4.43Å; L396-L398 HydrophobicContact CB-CD2 4.17Å; L396-L398 HydrophobicContact CB-CG 3.86Å; L396-L398 HydrophobicContact CD1-CD1 4.08Å; L396-L398 HydrophobicContact CD1-CG 4.37Å; L396-L398 PolarHBondContact O-N 3.09Å
399	H	72.6	Confident	83.3	Confident	115 Å²	115	57.8 Å²	57.8	53%	0.532	33%	0.326	S	S	.	.			trans	-107	153.9	175.1	-62.9	-73.1	0	0	0	110.3	G397 G401 T402	G397-H399 PolarHBondContact O-CD2 3.35Å; H399-G401 PolarHBondContact O-N 2.68Å; H399-G401 VanDerWaalsContact O-N 3.11Å; H399-T402 HydrophobicContact CB-CG2 4.14Å; H399-T402 PolarHBondContact N-OG1 2.74Å; H399-T402 PolarHBondContact O-N 3.07Å; H399-T402 PolarHBondContact O-OG1 2.97Å
400	N	63	Low	82.9	Confident	178 Å²	178	57.3 Å²	57.3	95%	0.952	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	117.9	178.1	-77	-11.1	0	0	0	110
401	G	58.3	Low	82.5	Confident	84 Å²	84	50.8 Å²	50.8	87%	0.866	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.2	-5.9	177.2	0	0	0	0	0	116	H399	H399-G401 PolarHBondContact O-N 2.68Å; H399-G401 VanDerWaalsContact O-N 3.11Å
402	T	59.5	Low	82	Confident	44 Å²	44	53.7 Å²	53.7	27%	0.27	31%	0.31	S	S	.	.			trans	-90.7	140.1	178.8	58.9	0	0	0	0	112.9	H399 G407	H399-T402 HydrophobicContact CB-CG2 4.14Å; H399-T402 PolarHBondContact N-OG1 2.74Å; H399-T402 PolarHBondContact O-N 3.07Å; H399-T402 PolarHBondContact O-OG1 2.97Å; T402-G407 WeakPolarHBondContact OG1-CA 3.32Å
403	M	65.6	Low	81.7	Confident	105 Å²	105	54.8 Å²	54.8	52%	0.517	32%	0.315	S	S	.	.	S	Bend	trans	-98.4	90	174.9	-62.3	-174.2	-64.9	0	0	108.5	I408 Q410	M403-I408 VanDerWaalsContact O-O 3.06Å; M403-Q410 HydrophobicContact CB-CB 4.28Å; M403-Q410 WeakPolarHBondContact O-CB 3.48Å
404	S	78.5	Confident	81.5	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	32%	0.318	C	S	.	.	S	Bend	trans	138	164.3	164.7	78.6	0	0	0	0	112.1	G407 I408 G495	S404-G407 PolarHBondContact O-N 2.8Å; S404-I408 PolarHBondContact OG-N 2.83Å; S404-I408 PolarHBondContact OG-O 3.37Å; S404-G495 WeakPolarHBondContact CA-O 3.43Å
405	P	79.9	Confident	81.4	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-54.4	146.7	173.7	-24.2	34.9	0	0	0	113.1	F318 F321 L396 G407 I408 F496	F318-P405 HydrophobicContact CD1-CB 3.98Å; F318-P405 HydrophobicContact CE1-CB 3.77Å; F318-P405 HydrophobicContact CE1-CG 4.18Å; F318-P405 WeakPolarHBondContact CE1-O 3.29Å; F318-P405 HydrophobicContact CZ-CB 4.37Å; F318-P405 HydrophobicContact CZ-CG 4.28Å; F321-P405 HydrophobicContact CD1-CB 4.27Å; F321-P405 HydrophobicContact CE1-CB 3.61Å; F321-P405 HydrophobicContact CE1-CG 4.46Å; F321-P405 HydrophobicContact CZ-CB 4.25Å; L396-P405 HydrophobicContact CD2-CG 4.36Å; L396-P405 CarbonylContact O-C 3.56Å; L396-P405 VanDerWaalsContact O-CA 3.27Å; L396-P405 WeakPolarHBondContact O-CA 3.4Å; L396-P405 WeakPolarHBondContact O-CB 3.46Å; P405-G407 PolarHBondContact O-N 3.19Å; P405-I408 PolarHBondContact O-N 3.41Å; P405-F496 HydrophobicContact CG-CE1 4.37Å
406	Q	82.8	Confident	81.3	Confident	95 Å²	95	57 Å²	57	44%	0.444	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	56.7	10.3	-176.9	-52.7	-176.3	-47.1	0	0	115.5	F321 L396 G397 I408	F321-Q406 HydrophobicContact CE2-CG 3.98Å; F321-Q406 HydrophobicContact CZ-CG 3.55Å; L396-Q406 PolarHBondContact O-N 3.25Å; G397-Q406 VanDerWaalsContact O-CA 3.29Å; G397-Q406 WeakPolarHBondContact O-CA 3.37Å; G397-Q406 PolarHBondContact O-N 3.41Å; Q406-I408 VanDerWaalsContact C-N 3.31Å; Q406-I408 HydrophobicContact CB-CG1 4.34Å; Q406-I408 PolarHBondContact O-N 3.47Å
407	G	80.3	Confident	81.2	Confident	26 Å²	26	60.1 Å²	60.1	27%	0.268	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	69.2	23.6	-177.6	0	0	0	0	0	115.3	T402 S404 P405	T402-G407 WeakPolarHBondContact OG1-CA 3.32Å; S404-G407 PolarHBondContact O-N 2.8Å; P405-G407 PolarHBondContact O-N 3.19Å
408	I	84.8	Confident	81.3	Confident	47 Å²	47	59.6 Å²	59.6	24%	0.241	35%	0.347	C	S	.	.			trans	-65.3	147.9	173.2	-57.8	-174.2	0	0	0	109.3	V294 F318 M403 S404 P405 Q406 Q410	V294-I408 HydrophobicContact CG1-CG2 4.12Å; F318-I408 HydrophobicContact CD1-CD1 3.92Å; F318-I408 HydrophobicContact CE1-CB 4.32Å; F318-I408 HydrophobicContact CE1-CD1 3.55Å; F318-I408 HydrophobicContact CE1-CG1 4.12Å; F318-I408 HydrophobicContact CZ-CD1 4.39Å; M403-I408 VanDerWaalsContact O-O 3.06Å; S404-I408 PolarHBondContact OG-N 2.83Å; S404-I408 PolarHBondContact OG-O 3.37Å; P405-I408 PolarHBondContact O-N 3.41Å; Q406-I408 VanDerWaalsContact C-N 3.31Å; Q406-I408 HydrophobicContact CB-CG1 4.34Å; Q406-I408 PolarHBondContact O-N 3.47Å; I408-Q410 PolarHBondContact O-N 3.16Å
409	Y	86.2	Confident	81.9	Confident	26 Å²	26	58.8 Å²	58.8	10%	0.102	34%	0.341	C	S	.	.			trans	-60.7	136.3	172	173.7	-98.4	0	0	0	110.6	I280 F282 E287 V294 Y314 A411	I280-Y409 WeakPolarHBondContact CG2-OH 3.28Å; F282-Y409 HydrophobicContact CD1-CE2 4.4Å; F282-Y409 HydrophobicContact CE1-CE1 4.18Å; F282-Y409 HydrophobicContact CE1-CE2 4.39Å; F282-Y409 AromaticContact CE1-CZ 3.83Å; E287-Y409 HydrophobicContact CG-CD2 3.67Å; E287-Y409 HydrophobicContact CG-CE2 3.78Å; E287-Y409 VanDerWaalsContact OE1-CE2 3.31Å; E287-Y409 WeakPolarHBondContact OE1-CE2 3.29Å; V294-Y409 HydrophobicContact CG2-CD1 3.8Å; Y314-Y409 HydrophobicContact CE2-CD1 4.36Å; Y314-Y409 WeakPolarHBondContact CE2-O 3.25Å; Y314-Y409 PolarHBondContact OH-O 3.08Å; Y409-A411 HydrophobicContact CE1-CB 4.11Å
410	Q	89.2	Confident	83	Confident	13 Å²	13	53.4 Å²	53.4	6%	0.061	32%	0.316	C	S	.	.			trans	-123.2	120.1	172.1	-174.7	176.9	-49.6	0	0	109	Y274 Y314 M403 I408 F496	Y274-Q410 VanDerWaalsContact OH-CG 3.25Å; Y274-Q410 WeakPolarHBondContact OH-CG 3.31Å; Y314-Q410 HydrophobicContact CE1-CG 4.44Å; M403-Q410 HydrophobicContact CB-CB 4.28Å; M403-Q410 WeakPolarHBondContact O-CB 3.48Å; I408-Q410 PolarHBondContact O-N 3.16Å; Q410-F496 PolarHBondContact NE2-O 2.98Å; Q410-F496 VanDerWaalsContact NE2-O 3.14Å
411	A	88.5	Confident	84.6	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-61.3	142.9	174.2	0	0	0	0	0	109.7	Y274 V276 Y314 Y409 I413	Y274-A411 HydrophobicContact CE2-CB 4.17Å; Y274-A411 PolarHBondContact OH-O 3.03Å; V276-A411 HydrophobicContact CG2-CB 3.77Å; Y314-A411 HydrophobicContact CD2-CB 3.69Å; Y314-A411 HydrophobicContact CE2-CB 4.45Å; Y314-A411 HydrophobicContact CG-CB 3.97Å; Y409-A411 HydrophobicContact CE1-CB 4.11Å; A411-I413 PolarHBondContact O-N 3.36Å
412	P	86.9	Confident	86.4	Confident	93 Å²	93	41.6 Å²	41.6	60%	0.604	23%	0.232	S	C	*	.	P	Polyproline II helix	trans	-59.3	133.9	-176.8	23.6	-33.4	0	0	0	111.5
413	I	90.3	Very high	87.9	Confident	23 Å²	23	40 Å²	40	12%	0.118	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-100.5	122.3	174.5	-58.3	172.2	0	0	0	108.1	Y274 A411 F415 F420 F498	Y274-I413 HydrophobicContact CD1-CD1 4.48Å; Y274-I413 HydrophobicContact CD2-CG1 4.32Å; Y274-I413 HydrophobicContact CE1-CD1 3.85Å; Y274-I413 HydrophobicContact CE1-CG1 3.96Å; Y274-I413 HydrophobicContact CE2-CD1 4.47Å; Y274-I413 HydrophobicContact CE2-CG1 3.66Å; Y274-I413 VanDerWaalsContact CZ-CG1 3.46Å; A411-I413 PolarHBondContact O-N 3.36Å; I413-F415 HydrophobicContact CB-CD1 4.4Å; I413-F415 HydrophobicContact CB-CE1 4.03Å; I413-F415 HydrophobicContact CB-CE2 4.27Å; I413-F415 HydrophobicContact CB-CZ 3.96Å; I413-F415 HydrophobicContact CD1-CE1 4.17Å; I413-F415 HydrophobicContact CD1-CZ 4.14Å; I413-F415 HydrophobicContact CG2-CD1 3.71Å; I413-F415 HydrophobicContact CG2-CE1 3.65Å; I413-F415 HydrophobicContact CG2-CG 4.2Å; I413-F415 HydrophobicContact CG2-CZ 4.12Å; I413-F415 PolarHBondContact O-N 3.04Å; I413-F415 VanDerWaalsContact O-N 3.07Å; I413-F420 HydrophobicContact CD1-CZ 4.06Å; I413-F420 HydrophobicContact CG2-CE2 3.87Å; I413-F420 HydrophobicContact CG2-CZ 4.19Å; I413-F498 HydrophobicContact CD1-CE2 4.07Å; I413-F498 HydrophobicContact CD1-CZ 4.3Å
414	N	90.8	Very high	89.1	Confident	94 Å²	94	36.1 Å²	36.1	50%	0.503	21%	0.205	S	C	.	.			trans	-79.8	86.2	168.8	-174.9	-7.4	0	0	0	109.8	S416 N417 S418	N414-S416 PolarHBondContact O-N 3.23Å; N414-S416 VanDerWaalsContact O-N 3.13Å; N414-S416 PolarHBondContact OD1-N 3.16Å; N414-S416 PolarHBondContact OD1-OG 3.3Å; N414-N417 CarbonylContact O-C 3.55Å; N414-N417 VanDerWaalsContact O-C 3.28Å; N414-N417 PolarHBondContact O-N 3.48Å; N414-N417 PolarHBondContact OD1-N 3.04Å; N414-S418 VanDerWaalsContact O-CB 3.25Å; N414-S418 WeakPolarHBondContact O-CB 3.25Å; N414-S418 PolarHBondContact O-N 3.14Å; N414-S418 VanDerWaalsContact O-N 3.15Å; N414-S418 PolarHBondContact O-OG 2.78Å
415	F	92.4	Very high	89.8	Confident	57 Å²	57	36.7 Å²	36.7	25%	0.25	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-58.8	-23.8	-178.8	-66.4	-66.5	0	0	0	114.1	I413 N417 R497 F498 P499 Y502	I413-F415 HydrophobicContact CB-CD1 4.4Å; I413-F415 HydrophobicContact CB-CE1 4.03Å; I413-F415 HydrophobicContact CB-CE2 4.27Å; I413-F415 HydrophobicContact CB-CZ 3.96Å; I413-F415 HydrophobicContact CD1-CE1 4.17Å; I413-F415 HydrophobicContact CD1-CZ 4.14Å; I413-F415 HydrophobicContact CG2-CD1 3.71Å; I413-F415 HydrophobicContact CG2-CE1 3.65Å; I413-F415 HydrophobicContact CG2-CG 4.2Å; I413-F415 HydrophobicContact CG2-CZ 4.12Å; I413-F415 PolarHBondContact O-N 3.04Å; I413-F415 VanDerWaalsContact O-N 3.07Å; F415-N417 VanDerWaalsContact C-N 3.32Å; F415-R497 WeakPolarHBondContact CZ-O 3.13Å; F415-F498 HydrophobicContact CD1-CD1 4.26Å; F415-F498 HydrophobicContact CD1-CE1 4.42Å; F415-F498 HydrophobicContact CE1-CB 4.36Å; F415-F498 AromaticContact CE1-CD1 3.73Å; F415-F498 HydrophobicContact CE1-CD1 3.73Å; F415-F498 AromaticContact CE1-CD2 3.96Å; F415-F498 HydrophobicContact CE1-CD2 3.96Å; F415-F498 AromaticContact CE1-CE1 3.92Å; F415-F498 HydrophobicContact CE1-CE1 3.92Å; F415-F498 HydrophobicContact CE1-CE2 4.13Å; F415-F498 AromaticContact CE1-CG 3.76Å; F415-F498 HydrophobicContact CE1-CG 3.76Å; F415-F498 HydrophobicContact CE1-CZ 4.11Å; F415-F498 HydrophobicContact CZ-CD2 4.35Å; F415-F498 HydrophobicContact CZ-CG 4.39Å; F415-P499 HydrophobicContact CB-CG 4.33Å; F415-P499 HydrophobicContact CD1-CG 4.47Å; F415-P499 HydrophobicContact CD2-CG 3.99Å; F415-P499 HydrophobicContact CE2-CG 4.42Å; F415-P499 HydrophobicContact CG-CG 4.02Å; F415-Y502 HydrophobicContact CB-CD2 4.1Å; F415-Y502 HydrophobicContact CB-CE2 4.15Å; F415-Y502 AromaticContact CD1-CD2 3.9Å; F415-Y502 HydrophobicContact CD1-CD2 3.9Å; F415-Y502 AromaticContact CD1-CE2 3.88Å; F415-Y502 HydrophobicContact CD1-CE2 3.88Å; F415-Y502 HydrophobicContact CG-CD2 4.42Å; F415-Y502 WeakPolarHBondContact O-CE2 3.27Å
416	S	91.1	Very high	90.6	Very high	112 Å²	112	36.7 Å²	36.7	78%	0.783	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-74.6	-23.1	176.4	73	0	0	0	0	113.4	N414	N414-S416 PolarHBondContact O-N 3.23Å; N414-S416 VanDerWaalsContact O-N 3.13Å; N414-S416 PolarHBondContact OD1-N 3.16Å; N414-S416 PolarHBondContact OD1-OG 3.3Å
417	N	89.7	Confident	91.2	Very high	66 Å²	66	33.4 Å²	33.4	35%	0.353	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-134.9	46	-177.1	-169.1	24.2	0	0	0	111.4	R258 N414 F415	R258-N417 WeakPolarHBondContact CD-O 3.5Å; R258-N417 WeakPolarHBondContact CD-OD1 3.15Å; R258-N417 PolarHBondContact NH1-OD1 3.1Å; N414-N417 CarbonylContact O-C 3.55Å; N414-N417 VanDerWaalsContact O-C 3.28Å; N414-N417 PolarHBondContact O-N 3.48Å; N414-N417 PolarHBondContact OD1-N 3.04Å; F415-N417 VanDerWaalsContact C-N 3.32Å
418	S	92.9	Very high	91.8	Very high	17 Å²	17	34.8 Å²	34.8	12%	0.119	19%	0.189	C	C	.	.			trans	-134.7	159.7	174.8	68.7	0	0	0	0	110.9	N414 Y502 S504	N414-S418 VanDerWaalsContact O-CB 3.25Å; N414-S418 WeakPolarHBondContact O-CB 3.25Å; N414-S418 PolarHBondContact O-N 3.14Å; N414-S418 VanDerWaalsContact O-N 3.15Å; N414-S418 PolarHBondContact O-OG 2.78Å; S418-Y502 PolarHBondContact O-OH 2.87Å; S418-Y502 PolarHBondContact OG-OH 3.45Å; S418-S504 WeakPolarHBondContact O-CB 3.41Å
419	E	95.7	Very high	92.4	Very high	40 Å²	40	32.5 Å²	32.5	19%	0.187	18%	0.178	C	C	.	.			trans	-139.7	138	175.2	-179.1	-176.8	161.6	0	0	107.7	R231 R258 V260 G261 Y421 Y502 S504	R231-E419 IonicContact NH2-OE1 3.87Å; R231-E419 IonicContact NH2-OE2 2.83Å; R231-E419 PolarHBondContact NH2-OE2 3.21Å; R258-E419 IonicContact NH2-OE2 3.86Å; V260-E419 CarbonylContact C-O 3.49Å; V260-E419 WeakPolarHBondContact CA-O 3.37Å; V260-E419 HydrophobicContact CB-CB 4.47Å; V260-E419 HydrophobicContact CB-CG 4.48Å; V260-E419 HydrophobicContact CG1-CB 4.04Å; V260-E419 HydrophobicContact CG1-CG 3.93Å; G261-E419 PolarHBondContact N-O 2.89Å; E419-Y421 HydrophobicContact CG-CE2 4.47Å; E419-Y421 WeakPolarHBondContact OE1-CE2 3.23Å; E419-Y502 WeakPolarHBondContact CA-OH 3.09Å; E419-Y502 PolarHBondContact N-OH 2.81Å; E419-S504 WeakPolarHBondContact CA-O 3.4Å
420	F	96.9	Very high	93	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.009	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	145.1	-177.9	-81.2	-102.3	0	0	0	112.2	G261 M263 I272 Y274 I413 F498 Y502 S504 L505 K506	G261-F420 CarbonylContact O-C 3.5Å; G261-F420 VanDerWaalsContact O-CA 3.31Å; G261-F420 WeakPolarHBondContact O-CA 3.44Å; M263-F420 HydrophobicContact CE-CB 4.12Å; M263-F420 HydrophobicContact CE-CD1 4.19Å; M263-F420 HydrophobicContact CE-CG 4.42Å; M263-F420 HydrophobicContact CG-CD1 4.37Å; I272-F420 HydrophobicContact CD1-CE1 4.26Å; I272-F420 HydrophobicContact CG1-CE1 4.3Å; Y274-F420 AromaticContact CD1-CE1 3.73Å; Y274-F420 HydrophobicContact CD1-CE1 3.73Å; Y274-F420 AromaticContact CD1-CZ 3.68Å; Y274-F420 HydrophobicContact CD1-CZ 3.68Å; Y274-F420 HydrophobicContact CE1-CZ 4.42Å; Y274-F420 HydrophobicContact CG-CE1 4.14Å; Y274-F420 AromaticContact CG-CZ 3.79Å; Y274-F420 HydrophobicContact CG-CZ 3.79Å; I413-F420 HydrophobicContact CD1-CZ 4.06Å; I413-F420 HydrophobicContact CG2-CE2 3.87Å; I413-F420 HydrophobicContact CG2-CZ 4.19Å; F420-F498 HydrophobicContact CB-CE1 4.29Å; F420-F498 HydrophobicContact CD1-CE1 4.41Å; F420-F498 AromaticContact CD1-CZ 3.82Å; F420-F498 HydrophobicContact CD1-CZ 3.82Å; F420-F498 AromaticContact CD2-CE1 3.77Å; F420-F498 HydrophobicContact CD2-CE1 3.77Å; F420-F498 AromaticContact CD2-CZ 3.8Å; F420-F498 HydrophobicContact CD2-CZ 3.8Å; F420-F498 AromaticContact CE1-CZ 3.87Å; F420-F498 HydrophobicContact CE1-CZ 3.87Å; F420-F498 HydrophobicContact CE2-CE1 4.15Å; F420-F498 AromaticContact CE2-CZ 3.85Å; F420-F498 HydrophobicContact CE2-CZ 3.85Å; F420-F498 AromaticContact CG-CE1 3.91Å; F420-F498 HydrophobicContact CG-CE1 3.91Å; F420-F498 AromaticContact CG-CZ 3.78Å; F420-F498 HydrophobicContact CG-CZ 3.78Å; F420-F498 AromaticContact CZ-CZ 3.89Å; F420-F498 HydrophobicContact CZ-CZ 3.89Å; F420-Y502 WeakPolarHBondContact CD2-OH 3.49Å; F420-S504 PolarHBondContact N-O 3.5Å; F420-L505 HydrophobicContact CB-CD1 3.95Å; F420-L505 WeakPolarHBondContact O-CA 3.44Å; F420-K506 PolarHBondContact O-N 2.9Å
421	Y	96	Very high	93.3	Very high	13 Å²	13	32.6 Å²	32.6	5%	0.051	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	131.6	169.5	-82.4	-107.6	0	0	0	111.5	I225 L229 V260 G261 I262 M263 E419 F423 K506 A508 V511	I225-Y421 HydrophobicContact CD1-CD1 4.14Å; I225-Y421 HydrophobicContact CD1-CD2 4.42Å; I225-Y421 HydrophobicContact CD1-CE1 4.4Å; I225-Y421 HydrophobicContact CD1-CG 4.15Å; I225-Y421 HydrophobicContact CG1-CD2 4.25Å; I225-Y421 HydrophobicContact CG1-CG 4.18Å; L229-Y421 HydrophobicContact CD1-CE2 3.95Å; V260-Y421 HydrophobicContact CB-CD2 4.33Å; V260-Y421 HydrophobicContact CG1-CE2 4.5Å; V260-Y421 HydrophobicContact CG2-CD2 4.07Å; G261-Y421 PolarHBondContact O-N 2.93Å; I262-Y421 CarbonylContact C-O 3.22Å; I262-Y421 WeakPolarHBondContact CA-O 3.35Å; M263-Y421 PolarHBondContact N-O 2.9Å; E419-Y421 HydrophobicContact CG-CE2 4.47Å; E419-Y421 WeakPolarHBondContact OE1-CE2 3.23Å; Y421-F423 HydrophobicContact CD1-CZ 4.27Å; Y421-F423 HydrophobicContact CG-CZ 4.3Å; Y421-K506 CarbonylContact C-O 3.52Å; Y421-K506 VanDerWaalsContact CA-O 3.24Å; Y421-K506 WeakPolarHBondContact CA-O 3.46Å; Y421-K506 HydrophobicContact CD1-CB 4.35Å; Y421-K506 HydrophobicContact CE1-CB 4.14Å; Y421-K506 HydrophobicContact CE1-CD 3.74Å; Y421-K506 HydrophobicContact CE1-CG 4.13Å; Y421-A508 HydrophobicContact CD1-CB 4.3Å; Y421-V511 HydrophobicContact CD1-CG2 3.99Å; Y421-V511 HydrophobicContact CE1-CG2 3.77Å
422	G	95.6	Very high	93.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	121.4	174.4	0	0	0	0	0	111.8	M263 K506 T507 A508	M263-G422 CarbonylContact O-C 3.51Å; M263-G422 WeakPolarHBondContact O-CA 3.44Å; G422-K506 PolarHBondContact N-O 3.46Å; G422-T507 VanDerWaalsContact O-CA 3.28Å; G422-T507 WeakPolarHBondContact O-CA 3.34Å; G422-A508 PolarHBondContact O-N 2.96Å
423	F	91.9	Very high	94.1	Very high	12 Å²	12	28.9 Å²	28.9	5%	0.053	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	170.9	179.7	-59.7	-77.3	0	0	0	112.7	I225 I262 M263 D264 Y421 E425 F426 A508 V516	I225-F423 HydrophobicContact CB-CZ 4.37Å; I225-F423 HydrophobicContact CD1-CZ 4.04Å; I225-F423 HydrophobicContact CG1-CZ 4.22Å; I262-F423 HydrophobicContact CB-CD2 4.47Å; I262-F423 HydrophobicContact CB-CE2 4.15Å; I262-F423 HydrophobicContact CG2-CE2 3.86Å; M263-F423 PolarHBondContact O-N 2.83Å; D264-F423 HydrophobicContact CB-CB 4.28Å; Y421-F423 HydrophobicContact CD1-CZ 4.27Å; Y421-F423 HydrophobicContact CG-CZ 4.3Å; F423-E425 PolarHBondContact O-N 2.86Å; F423-F426 WeakPolarHBondContact O-CB 3.36Å; F423-F426 WeakPolarHBondContact O-CD2 3.45Å; F423-F426 PolarHBondContact O-N 2.82Å; F423-F426 VanDerWaalsContact O-N 3.13Å; F423-A508 WeakPolarHBondContact CD1-O 3.47Å; F423-V516 HydrophobicContact CD1-CB 4.5Å; F423-V516 HydrophobicContact CE1-CB 3.64Å; F423-V516 HydrophobicContact CE1-CG1 3.88Å; F423-V516 HydrophobicContact CE1-CG2 4.41Å; F423-V516 HydrophobicContact CE2-CG1 4.41Å; F423-V516 HydrophobicContact CZ-CB 3.94Å; F423-V516 HydrophobicContact CZ-CG1 3.64Å
424	S	90.2	Very high	94.5	Very high	23 Å²	23	28.8 Å²	28.8	16%	0.161	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	52.9	-120.1	178.2	-58.5	0	0	0	0	112.2	D264 M265 F426 F427 Y428	D264-S424 WeakPolarHBondContact OD1-CB 3.23Å; D264-S424 PolarHBondContact OD1-OG 2.86Å; M265-S424 WeakPolarHBondContact O-CB 3.44Å; S424-F426 PolarHBondContact O-N 3Å; S424-F426 VanDerWaalsContact O-N 3.12Å; S424-F427 WeakPolarHBondContact O-CA 3.38Å; S424-F427 WeakPolarHBondContact O-CB 3.49Å; S424-F427 PolarHBondContact O-N 3.25Å; S424-Y428 VanDerWaalsContact C-CE2 3.47Å; S424-Y428 VanDerWaalsContact CA-CE2 3.49Å; S424-Y428 WeakPolarHBondContact O-CD2 3.44Å; S424-Y428 VanDerWaalsContact O-CG 3.26Å; S424-Y428 PolarHBondContact O-N 2.99Å
425	E	94.6	Very high	94.7	Very high	12 Å²	12	30.1 Å²	30.1	6%	0.056	15%	0.152	C	C	.	.	H	α-helix	trans	-61	-23.7	-176.8	-66.5	-67.1	169.5	0	0	113.5	M265 F423 F427 C429 R477 K484	M265-E425 HydrophobicContact CB-CB 3.94Å; M265-E425 HydrophobicContact CG-CB 3.84Å; M265-E425 HydrophobicContact CG-CG 4.22Å; M265-E425 WeakPolarHBondContact O-CB 3.26Å; M265-E425 VanDerWaalsContact O-CG 3.25Å; M265-E425 WeakPolarHBondContact O-CG 3.34Å; M265-E425 PolarHBondContact O-N 2.8Å; M265-E425 HydrophobicContact SD-CB 3.79Å; M265-E425 HydrophobicContact SD-CG 4.41Å; F423-E425 PolarHBondContact O-N 2.86Å; E425-F427 VanDerWaalsContact C-N 3.29Å; E425-F427 PolarHBondContact O-N 3.49Å; E425-C429 WeakPolarHBondContact O-CB 3.4Å; E425-C429 PolarHBondContact O-N 3.04Å; E425-C429 PolarHBondContact O-SG 3.4Å; E425-R477 VanDerWaalsContact CD-NH2 3.32Å; E425-R477 IonicContact OE1-NH2 2.69Å; E425-R477 PolarHBondContact OE1-NH2 2.85Å; E425-R477 VanDerWaalsContact OE1-NH2 3.11Å; E425-R477 IonicContact OE2-CZ 2.58Å; E425-R477 VanDerWaalsContact OE2-CZ 3.24Å; E425-R477 IonicContact OE2-NH1 3.25Å; E425-R477 PolarHBondContact OE2-NH1 3.3Å; E425-R477 IonicContact OE2-NH2 2.75Å; E425-R477 PolarHBondContact OE2-NH2 3.01Å; E425-K484 IonicContact OE1-NZ 2.7Å; E425-K484 PolarHBondContact OE1-NZ 2.7Å; E425-K484 WeakPolarHBondContact OE2-CD 3.38Å; E425-K484 IonicContact OE2-NZ 2.86Å
426	F	96.1	Very high	94.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-61.4	-39.2	170.4	-73.7	-79.4	0	0	0	112.2	M263 M265 L270 F423 S424 M430 M488 V491 T507	M263-F426 HydrophobicContact CB-CD2 4.08Å; M263-F426 HydrophobicContact CB-CE2 3.51Å; M263-F426 HydrophobicContact CB-CZ 3.82Å; M263-F426 HydrophobicContact SD-CE1 4.45Å; M263-F426 HydrophobicContact SD-CZ 4.1Å; M265-F426 HydrophobicContact CB-CD2 3.84Å; M265-F426 HydrophobicContact CB-CE2 3.71Å; M265-F426 HydrophobicContact CE-CE2 4.36Å; M265-F426 HydrophobicContact CE-CZ 4.24Å; L270-F426 HydrophobicContact CD1-CE2 3.82Å; L270-F426 HydrophobicContact CD1-CZ 4.17Å; F423-F426 WeakPolarHBondContact O-CB 3.36Å; F423-F426 WeakPolarHBondContact O-CD2 3.45Å; F423-F426 PolarHBondContact O-N 2.82Å; F423-F426 VanDerWaalsContact O-N 3.13Å; S424-F426 PolarHBondContact O-N 3Å; S424-F426 VanDerWaalsContact O-N 3.12Å; F426-M430 WeakPolarHBondContact O-CG 3.28Å; F426-M488 HydrophobicContact CB-SD 4.46Å; F426-M488 HydrophobicContact CD1-CG 3.54Å; F426-M488 HydrophobicContact CD1-SD 3.96Å; F426-M488 HydrophobicContact CE1-CG 3.77Å; F426-M488 HydrophobicContact CG-CG 4.32Å; F426-V491 HydrophobicContact CZ-CG1 4.35Å; F426-T507 HydrophobicContact CB-CG2 4.14Å; F426-T507 WeakPolarHBondContact O-CG2 3.24Å
427	F	94.7	Very high	95	Very high	26 Å²	26	24.3 Å²	24.3	11%	0.114	12%	0.121	C	C	.	.	H	α-helix	trans	-80.1	-50.2	175.7	176.5	-100.5	0	0	0	111.5	S424 E425 C429 M430 E431 A508 Q509	S424-F427 WeakPolarHBondContact O-CA 3.38Å; S424-F427 WeakPolarHBondContact O-CB 3.49Å; S424-F427 PolarHBondContact O-N 3.25Å; E425-F427 VanDerWaalsContact C-N 3.29Å; E425-F427 PolarHBondContact O-N 3.49Å; F427-C429 VanDerWaalsContact C-N 3.3Å; F427-C429 PolarHBondContact O-N 3.07Å; F427-M430 PolarHBondContact O-N 3.49Å; F427-E431 HydrophobicContact CD1-CB 4.26Å; F427-E431 HydrophobicContact CD2-CB 4.21Å; F427-E431 HydrophobicContact CE1-CB 3.89Å; F427-E431 HydrophobicContact CE1-CG 3.95Å; F427-E431 HydrophobicContact CE2-CB 3.85Å; F427-E431 HydrophobicContact CE2-CG 3.98Å; F427-E431 HydrophobicContact CG-CB 4.44Å; F427-E431 HydrophobicContact CZ-CB 3.71Å; F427-E431 HydrophobicContact CZ-CG 3.52Å; F427-E431 WeakPolarHBondContact O-CB 3.05Å; F427-E431 PolarHBondContact O-N 2.95Å; F427-A508 VanDerWaalsContact CD2-CA 3.47Å; F427-Q509 HydrophobicContact CD1-CB 3.62Å; F427-Q509 HydrophobicContact CD2-CB 4.48Å; F427-Q509 HydrophobicContact CE1-CB 3.47Å; F427-Q509 VanDerWaalsContact CE1-CB 3.47Å; F427-Q509 HydrophobicContact CE1-CG 4.42Å; F427-Q509 VanDerWaalsContact CE1-OE1 3.27Å; F427-Q509 HydrophobicContact CE2-CB 4.34Å; F427-Q509 HydrophobicContact CG-CB 4.1Å; F427-Q509 HydrophobicContact CZ-CB 3.83Å
428	Y	94.4	Very high	95.1	Very high	54 Å²	54	22 Å²	22	21%	0.212	11%	0.113	C	C	.	.	H	α-helix	trans	-60.4	-38.4	-175.6	-54.2	-41.5	0	0	0	112.6	S424 M430 D432	S424-Y428 VanDerWaalsContact C-CE2 3.47Å; S424-Y428 VanDerWaalsContact CA-CE2 3.49Å; S424-Y428 WeakPolarHBondContact O-CD2 3.44Å; S424-Y428 VanDerWaalsContact O-CG 3.26Å; S424-Y428 PolarHBondContact O-N 2.99Å; Y428-M430 PolarHBondContact O-N 3.46Å; Y428-D432 WeakPolarHBondContact O-CB 3.46Å; Y428-D432 PolarHBondContact O-N 3.37Å; Y428-D432 VanDerWaalsContact O-N 3.08Å
429	C	97.3	Very high	95.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-66.8	-23.8	176.9	-68.2	0	0	0	0	113	E425 F427 L434 Q481 M488	E425-C429 WeakPolarHBondContact O-CB 3.4Å; E425-C429 PolarHBondContact O-N 3.04Å; E425-C429 PolarHBondContact O-SG 3.4Å; F427-C429 VanDerWaalsContact C-N 3.3Å; F427-C429 PolarHBondContact O-N 3.07Å; C429-L434 VanDerWaalsContact O-CD1 3.23Å; C429-L434 WeakPolarHBondContact O-CD1 3.38Å; C429-L434 WeakPolarHBondContact O-CG 3.48Å; C429-Q481 PolarHBondContact O-NE2 3.01Å; C429-M488 HydrophobicContact CB-SD 3.75Å
430	M	97.2	Very high	95.3	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.015	12%	0.124	C	C	.	.	H	α-helix	trans	-94.1	-34.3	177.4	-66.9	-169.2	77.6	0	0	112.8	F426 F427 Y428 L434 R435 I436 Y440 Y445 M488 T507	F426-M430 WeakPolarHBondContact O-CG 3.28Å; F427-M430 PolarHBondContact O-N 3.49Å; Y428-M430 PolarHBondContact O-N 3.46Å; M430-L434 CarbonylContact O-C 3.54Å; M430-L434 WeakPolarHBondContact O-CB 3.12Å; M430-R435 PolarHBondContact O-N 2.89Å; M430-R435 VanDerWaalsContact O-N 3.11Å; M430-I436 HydrophobicContact CB-CG1 4.24Å; M430-I436 HydrophobicContact CE-CD1 4.19Å; M430-I436 HydrophobicContact CE-CG1 4.15Å; M430-I436 VanDerWaalsContact CE-O 3.27Å; M430-I436 WeakPolarHBondContact CE-O 3.29Å; M430-I436 WeakPolarHBondContact O-CG1 3.19Å; M430-I436 PolarHBondContact O-N 2.94Å; M430-Y440 HydrophobicContact CE-CD2 3.9Å; M430-Y440 HydrophobicContact SD-CD2 3.76Å; M430-Y445 HydrophobicContact CE-CD2 4.24Å; M430-Y445 HydrophobicContact CG-CD2 3.73Å; M430-Y445 HydrophobicContact CG-CE2 3.7Å; M430-Y445 HydrophobicContact SD-CD2 4.42Å; M430-M488 HydrophobicContact CG-CE 4.3Å; M430-T507 HydrophobicContact SD-CG2 3.42Å; M430-T507 WeakPolarHBondContact SD-CG2 3.37Å; M430-T507 PolarHBondContact SD-OG1 3.13Å
431	E	95.9	Very high	95.3	Very high	38 Å²	38	28.4 Å²	28.4	18%	0.178	14%	0.144	C	C	.	.	H	α-helix	trans	-101.7	-40.5	-167.5	-176.1	61.6	-168.1	0	0	114	F427 V433 R435 G437	F427-E431 HydrophobicContact CD1-CB 4.26Å; F427-E431 HydrophobicContact CD2-CB 4.21Å; F427-E431 HydrophobicContact CE1-CB 3.89Å; F427-E431 HydrophobicContact CE1-CG 3.95Å; F427-E431 HydrophobicContact CE2-CB 3.85Å; F427-E431 HydrophobicContact CE2-CG 3.98Å; F427-E431 HydrophobicContact CG-CB 4.44Å; F427-E431 HydrophobicContact CZ-CB 3.71Å; F427-E431 HydrophobicContact CZ-CG 3.52Å; F427-E431 WeakPolarHBondContact O-CB 3.05Å; F427-E431 PolarHBondContact O-N 2.95Å; E431-V433 VanDerWaalsContact C-N 3.33Å; E431-V433 PolarHBondContact O-N 3.05Å; E431-R435 VanDerWaalsContact O-CD 3.29Å; E431-R435 WeakPolarHBondContact O-CD 3.48Å; E431-R435 PolarHBondContact O-N 2.95Å; E431-R435 PolarHBondContact O-NH1 3.48Å; E431-R435 IonicContact OE1-CZ 3Å; E431-R435 IonicContact OE1-NH1 3.22Å; E431-R435 PolarHBondContact OE1-NH1 3.13Å; E431-R435 IonicContact OE1-NH2 3.9Å; E431-R435 PolarHBondContact OE1-NH2 3.32Å; E431-G437 WeakPolarHBondContact OE2-CA 3.48Å; E431-G437 PolarHBondContact OE2-N 2.94Å
432	D	96.3	Very high	95.4	Very high	6 Å²	6	27.9 Å²	27.9	3%	0.032	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-44.5	-166.9	-75.1	-4	0	0	0	111.8	Y428 F469 S470 Q472 A473 R477	Y428-D432 WeakPolarHBondContact O-CB 3.46Å; Y428-D432 PolarHBondContact O-N 3.37Å; Y428-D432 VanDerWaalsContact O-N 3.08Å; D432-F469 WeakPolarHBondContact O-CB 3.22Å; D432-S470 WeakPolarHBondContact O-CB 3.48Å; D432-S470 PolarHBondContact O-N 3.09Å; D432-Q472 WeakPolarHBondContact OD1-CG 3.48Å; D432-Q472 PolarHBondContact OD1-NE2 2.9Å; D432-A473 HydrophobicContact CB-CB 4.2Å; D432-R477 HydrophobicContact CB-CG 3.77Å; D432-R477 IonicContact OD2-CZ 2.64Å; D432-R477 IonicContact OD2-NE 3.46Å; D432-R477 PolarHBondContact OD2-NE 2.97Å; D432-R477 IonicContact OD2-NH2 2.7Å
433	V	97.3	Very high	95.5	Very high	9 Å²	9	33.9 Å²	33.9	6%	0.055	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.7	-25.9	-175.2	-60.9	0	0	0	0	114.5	E431 Y452 F469 A473 R477 L478 Q481	E431-V433 VanDerWaalsContact C-N 3.33Å; E431-V433 PolarHBondContact O-N 3.05Å; V433-Y452 HydrophobicContact CB-CD2 4.23Å; V433-Y452 HydrophobicContact CB-CE2 3.68Å; V433-Y452 HydrophobicContact CG1-CE2 4.3Å; V433-Y452 HydrophobicContact CG2-CD2 3.99Å; V433-Y452 HydrophobicContact CG2-CE2 3.62Å; V433-F469 HydrophobicContact CB-CD1 3.75Å; V433-F469 HydrophobicContact CB-CE1 3.79Å; V433-F469 HydrophobicContact CB-CG 4.35Å; V433-F469 HydrophobicContact CB-CZ 4.44Å; V433-F469 HydrophobicContact CG1-CB 4.41Å; V433-F469 HydrophobicContact CG1-CD1 3.89Å; V433-F469 HydrophobicContact CG1-CD2 4.33Å; V433-F469 HydrophobicContact CG1-CE1 4.16Å; V433-F469 HydrophobicContact CG1-CG 3.96Å; V433-F469 WeakPolarHBondContact O-CE1 3.35Å; V433-A473 HydrophobicContact CG1-CB 4.27Å; V433-R477 HydrophobicContact CG1-CG 4.01Å; V433-L478 HydrophobicContact CG1-CD1 3.91Å; V433-Q481 HydrophobicContact CG2-CB 4.09Å; V433-Q481 HydrophobicContact CG2-CG 3.44Å; V433-Q481 VanDerWaalsContact CG2-CG 3.44Å
434	L	97.5	Very high	95.8	Very high	21 Å²	21	40.4 Å²	40.4	11%	0.11	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-21.1	177.6	-52.8	-173.4	0	0	0	112.2	C429 M430 I436 Y445 A448 A449 Y452	C429-L434 VanDerWaalsContact O-CD1 3.23Å; C429-L434 WeakPolarHBondContact O-CD1 3.38Å; C429-L434 WeakPolarHBondContact O-CG 3.48Å; M430-L434 CarbonylContact O-C 3.54Å; M430-L434 WeakPolarHBondContact O-CB 3.12Å; L434-I436 VanDerWaalsContact C-N 3.27Å; L434-I436 HydrophobicContact CB-CD1 4.22Å; L434-I436 HydrophobicContact CB-CG1 3.82Å; L434-I436 HydrophobicContact CD1-CD1 4.32Å; L434-I436 WeakPolarHBondContact O-CG2 3.27Å; L434-I436 PolarHBondContact O-N 2.93Å; L434-Y445 HydrophobicContact CD1-CD2 4.38Å; L434-Y445 HydrophobicContact CD1-CE2 4.16Å; L434-A448 HydrophobicContact CB-CB 4.43Å; L434-A448 HydrophobicContact CD1-CB 4.16Å; L434-A448 HydrophobicContact CD2-CB 4.45Å; L434-A449 HydrophobicContact CD1-CB 4.35Å; L434-Y452 HydrophobicContact CD2-CD2 4Å; L434-Y452 HydrophobicContact CD2-CG 3.87Å
435	R	96.1	Very high	96.2	Very high	122 Å²	122	39.3 Å²	39.3	46%	0.46	19%	0.191	S	C	.	.			trans	53.9	39.8	179.3	-50.1	-62.1	-68.2	148.1	5.2	113	M430 E431	M430-R435 PolarHBondContact O-N 2.89Å; M430-R435 VanDerWaalsContact O-N 3.11Å; E431-R435 VanDerWaalsContact O-CD 3.29Å; E431-R435 WeakPolarHBondContact O-CD 3.48Å; E431-R435 PolarHBondContact O-N 2.95Å; E431-R435 PolarHBondContact O-NH1 3.48Å; E431-R435 IonicContact OE1-CZ 3Å; E431-R435 IonicContact OE1-NH1 3.22Å; E431-R435 PolarHBondContact OE1-NH1 3.13Å; E431-R435 IonicContact OE1-NH2 3.9Å; E431-R435 PolarHBondContact OE1-NH2 3.32Å
436	I	96.1	Very high	96.4	Very high	17 Å²	17	39.2 Å²	39.2	9%	0.087	19%	0.192	C	C	.	.			trans	-126.1	24.5	180	60.8	168.8	0	0	0	112.6	M430 L434 Y445 A448	M430-I436 HydrophobicContact CB-CG1 4.24Å; M430-I436 HydrophobicContact CE-CD1 4.19Å; M430-I436 HydrophobicContact CE-CG1 4.15Å; M430-I436 VanDerWaalsContact CE-O 3.27Å; M430-I436 WeakPolarHBondContact CE-O 3.29Å; M430-I436 WeakPolarHBondContact O-CG1 3.19Å; M430-I436 PolarHBondContact O-N 2.94Å; L434-I436 VanDerWaalsContact C-N 3.27Å; L434-I436 HydrophobicContact CB-CD1 4.22Å; L434-I436 HydrophobicContact CB-CG1 3.82Å; L434-I436 HydrophobicContact CD1-CD1 4.32Å; L434-I436 WeakPolarHBondContact O-CG2 3.27Å; L434-I436 PolarHBondContact O-N 2.93Å; I436-Y445 HydrophobicContact CD1-CD2 4.14Å; I436-A448 HydrophobicContact CD1-CB 3.87Å
437	G	91.9	Very high	96.5	Very high	29 Å²	29	43.8 Å²	43.8	30%	0.299	21%	0.213	S	C	.	.			trans	-59.1	165.6	178.7	0	0	0	0	0	113.8	E431	E431-G437 WeakPolarHBondContact OE2-CA 3.48Å; E431-G437 PolarHBondContact OE2-N 2.94Å
438	G	92.3	Very high	96.7	Very high	18 Å²	18	43.6 Å²	43.6	19%	0.186	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	100.4	-127.1	-177.3	0	0	0	0	0	111.9	Y440 K506 T507	G438-Y440 PolarHBondContact O-N 3.11Å; G438-K506 CarbonylContact O-C 3.46Å; G438-K506 WeakPolarHBondContact O-CA 3.37Å; G438-T507 WeakPolarHBondContact CA-O 3.16Å; G438-T507 PolarHBondContact N-O 3.11Å; G438-T507 PolarHBondContact N-OG1 3.35Å; G438-T507 PolarHBondContact O-N 3.08Å; G438-T507 PolarHBondContact O-OG1 3.26Å
439	Q	95.7	Very high	96.9	Very high	105 Å²	105	41 Å²	41	49%	0.491	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	121.6	-176.2	-172	62.5	52.2	0	0	111.1	A503 L505	Q439-A503 PolarHBondContact NE2-O 3.05Å; Q439-L505 PolarHBondContact NE2-O 3.4Å
440	Y	97.6	Very high	97	Very high	8 Å²	8	44.8 Å²	44.8	3%	0.031	22%	0.223	C	C	.	.			trans	-72.7	138.7	178.8	-178.7	-98.5	0	0	0	111.3	M430 G438 Y445 M488 L492 H493 L505	M430-Y440 HydrophobicContact CE-CD2 3.9Å; M430-Y440 HydrophobicContact SD-CD2 3.76Å; G438-Y440 PolarHBondContact O-N 3.11Å; Y440-Y445 HydrophobicContact CE2-CD1 4.1Å; Y440-Y445 HydrophobicContact CE2-CD2 4.29Å; Y440-Y445 AromaticContact CE2-CG 3.81Å; Y440-Y445 HydrophobicContact CE2-CG 3.81Å; Y440-M488 HydrophobicContact CD2-CE 4.37Å; Y440-M488 HydrophobicContact CE2-CE 3.84Å; Y440-L492 HydrophobicContact CD1-CD2 4.23Å; Y440-L492 HydrophobicContact CE1-CD2 3.68Å; Y440-L492 HydrophobicContact CE2-CD2 4.22Å; Y440-H493 AromaticContact CE1-NE2 3.65Å; Y440-H493 AromaticContact CZ-NE2 3.71Å; Y440-H493 PolarHBondContact OH-NE2 3.31Å; Y440-L505 VanDerWaalsContact CB-O 3.29Å; Y440-L505 WeakPolarHBondContact CB-O 3.34Å; Y440-L505 HydrophobicContact CD1-CD2 3.89Å; Y440-L505 HydrophobicContact CD2-CD2 4.36Å; Y440-L505 HydrophobicContact CG-CD2 3.76Å; Y440-L505 HydrophobicContact CG-CG 4.25Å; Y440-L505 PolarHBondContact N-O 2.81Å
441	N	97.8	Very high	97	Very high	81 Å²	81	48.9 Å²	48.9	43%	0.433	25%	0.245	S	C	.	.			trans	-141.8	122.8	168.9	175.4	-86.4	0	0	0	108.3	D443 R444 Y445	N441-D443 PolarHBondContact O-N 2.83Å; N441-D443 PolarHBondContact OD1-N 3.33Å; N441-R444 HydrophobicContact CB-CB 4.15Å; N441-R444 WeakPolarHBondContact OD1-CB 3.33Å; N441-R444 PolarHBondContact OD1-N 3.35Å; N441-Y445 WeakPolarHBondContact O-CB 3.37Å; N441-Y445 PolarHBondContact O-N 3.14Å
442	S	97.5	Very high	97.1	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.007	24%	0.238	C	C	.	.	H	α-helix	trans	-62.8	-45.1	-170.1	-164.6	0	0	0	0	112.6	Y445 A446 Y489 H493 S500	S442-Y445 PolarHBondContact O-N 3.24Å; S442-A446 VanDerWaalsContact O-CB 3.32Å; S442-A446 WeakPolarHBondContact O-CB 3.4Å; S442-A446 PolarHBondContact O-N 3.14Å; S442-Y489 VanDerWaalsContact OG-CE2 3.27Å; S442-Y489 WeakPolarHBondContact OG-CE2 3.16Å; S442-Y489 PolarHBondContact OG-OH 2.92Å; S442-H493 PolarHBondContact OG-NE2 3.15Å; S442-S500 WeakPolarHBondContact CB-O 3.47Å
443	D	97.6	Very high	97.3	Very high	126 Å²	126	47.2 Å²	47.2	67%	0.674	24%	0.237	S	C	*	.	H	α-helix	trans	-65.9	-48.4	-179	-65.1	-34.3	0	0	0	112.1	N441 Y445 A446 Q447	N441-D443 PolarHBondContact O-N 2.83Å; N441-D443 PolarHBondContact OD1-N 3.33Å; D443-Y445 VanDerWaalsContact C-N 3.29Å; D443-Y445 PolarHBondContact O-N 2.89Å; D443-A446 PolarHBondContact O-N 2.89Å; D443-Q447 WeakPolarHBondContact O-CB 3.36Å; D443-Q447 PolarHBondContact O-N 3.36Å
444	R	98.1	Very high	97.3	Very high	149 Å²	149	49.8 Å²	49.8	56%	0.562	26%	0.258	S	S	*	.	H	α-helix	trans	-60.2	-42.3	177.4	-176.2	-179.5	180	-172.7	-0.5	111.1	N441 A448	N441-R444 HydrophobicContact CB-CB 4.15Å; N441-R444 WeakPolarHBondContact OD1-CB 3.33Å; N441-R444 PolarHBondContact OD1-N 3.35Å; R444-A448 WeakPolarHBondContact O-CB 3.42Å; R444-A448 PolarHBondContact O-N 3.44Å
445	Y	98.4	Very high	97.4	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-65.5	-49.1	178.8	177.3	-97.1	0	0	0	111.9	W385 M430 L434 I436 Y440 N441 S442 D443 Q447 A448 A449 S485 M488 Y489	W385-Y445 HydrophobicContact CZ2-CE1 4.21Å; M430-Y445 HydrophobicContact CE-CD2 4.24Å; M430-Y445 HydrophobicContact CG-CD2 3.73Å; M430-Y445 HydrophobicContact CG-CE2 3.7Å; M430-Y445 HydrophobicContact SD-CD2 4.42Å; L434-Y445 HydrophobicContact CD1-CD2 4.38Å; L434-Y445 HydrophobicContact CD1-CE2 4.16Å; I436-Y445 HydrophobicContact CD1-CD2 4.14Å; Y440-Y445 HydrophobicContact CE2-CD1 4.1Å; Y440-Y445 HydrophobicContact CE2-CD2 4.29Å; Y440-Y445 AromaticContact CE2-CG 3.81Å; Y440-Y445 HydrophobicContact CE2-CG 3.81Å; N441-Y445 WeakPolarHBondContact O-CB 3.37Å; N441-Y445 PolarHBondContact O-N 3.14Å; S442-Y445 PolarHBondContact O-N 3.24Å; D443-Y445 VanDerWaalsContact C-N 3.29Å; D443-Y445 PolarHBondContact O-N 2.89Å; Y445-Q447 VanDerWaalsContact C-N 3.32Å; Y445-Q447 PolarHBondContact O-N 3.09Å; Y445-A448 PolarHBondContact O-N 2.98Å; Y445-A449 WeakPolarHBondContact O-CB 3.32Å; Y445-A449 PolarHBondContact O-N 3.01Å; Y445-S485 WeakPolarHBondContact OH-CA 3.44Å; Y445-S485 WeakPolarHBondContact OH-CB 3.47Å; Y445-S485 PolarHBondContact OH-O 3.17Å; Y445-M488 HydrophobicContact CD1-CE 4.27Å; Y445-M488 HydrophobicContact CD2-CE 4.02Å; Y445-M488 HydrophobicContact CE1-CE 3.69Å; Y445-M488 HydrophobicContact CE2-CE 3.41Å; Y445-M488 VanDerWaalsContact CE2-CE 3.41Å; Y445-M488 HydrophobicContact CE2-SD 4.22Å; Y445-M488 HydrophobicContact CG-CE 4.39Å; Y445-M488 VanDerWaalsContact OH-CE 3.28Å; Y445-M488 WeakPolarHBondContact OH-CE 3.5Å; Y445-M488 PolarHBondContact OH-SD 3.48Å; Y445-Y489 AromaticContact CD1-CD2 3.95Å; Y445-Y489 HydrophobicContact CD1-CD2 3.95Å; Y445-Y489 HydrophobicContact CE1-CD2 4.15Å
446	A	98.4	Very high	97.5	Very high	11 Å²	11	50.2 Å²	50.2	9%	0.091	27%	0.265	C	S	.	.	H	α-helix	trans	-60.8	-41.6	178.7	0	0	0	0	0	111.7	W385 S442 D443 K450 Y489	W385-A446 HydrophobicContact CH2-CB 3.7Å; W385-A446 HydrophobicContact CZ3-CB 3.7Å; S442-A446 VanDerWaalsContact O-CB 3.32Å; S442-A446 WeakPolarHBondContact O-CB 3.4Å; S442-A446 PolarHBondContact O-N 3.14Å; D443-A446 PolarHBondContact O-N 2.89Å; A446-K450 WeakPolarHBondContact O-CB 3.35Å; A446-K450 VanDerWaalsContact O-CG 3.23Å; A446-K450 WeakPolarHBondContact O-CG 3.09Å; A446-K450 PolarHBondContact O-N 3.14Å; A446-Y489 HydrophobicContact CB-CE2 4.28Å
447	Q	98.6	Very high	97.6	Very high	95 Å²	95	50.9 Å²	50.9	44%	0.444	27%	0.266	S	S	.	.	H	α-helix	trans	-65.3	-49.8	177.5	-173.6	56.5	41.9	0	0	111.7	D443 Y445 A449 K450 D451	D443-Q447 WeakPolarHBondContact O-CB 3.36Å; D443-Q447 PolarHBondContact O-N 3.36Å; Y445-Q447 VanDerWaalsContact C-N 3.32Å; Y445-Q447 PolarHBondContact O-N 3.09Å; Q447-A449 VanDerWaalsContact C-N 3.29Å; Q447-A449 PolarHBondContact O-N 3.26Å; Q447-K450 PolarHBondContact O-N 2.98Å; Q447-D451 PolarHBondContact NE2-OD1 3.48Å; Q447-D451 PolarHBondContact NE2-OD2 3.32Å; Q447-D451 VanDerWaalsContact O-CG 3.31Å; Q447-D451 PolarHBondContact O-N 3.14Å
448	A	98.6	Very high	97.9	Very high	22 Å²	22	53.1 Å²	53.1	18%	0.182	28%	0.277	C	S	.	.	H	α-helix	trans	-60.2	-39.6	178.4	0	0	0	0	0	112.3	L434 I436 R444 Y445 Y452	L434-A448 HydrophobicContact CB-CB 4.43Å; L434-A448 HydrophobicContact CD1-CB 4.16Å; L434-A448 HydrophobicContact CD2-CB 4.45Å; I436-A448 HydrophobicContact CD1-CB 3.87Å; R444-A448 WeakPolarHBondContact O-CB 3.42Å; R444-A448 PolarHBondContact O-N 3.44Å; Y445-A448 PolarHBondContact O-N 2.98Å; A448-Y452 VanDerWaalsContact O-CB 3.31Å; A448-Y452 WeakPolarHBondContact O-CB 3.24Å; A448-Y452 PolarHBondContact O-N 2.84Å
449	A	98.6	Very high	98.2	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-66.8	-42.3	176.6	0	0	0	0	0	112.2	W385 L434 Y445 Q447 Y452 C453	W385-A449 HydrophobicContact CD2-CB 4.1Å; W385-A449 HydrophobicContact CG-CB 4.25Å; W385-A449 HydrophobicContact CZ2-CB 4.03Å; L434-A449 HydrophobicContact CD1-CB 4.35Å; Y445-A449 WeakPolarHBondContact O-CB 3.32Å; Y445-A449 PolarHBondContact O-N 3.01Å; Q447-A449 VanDerWaalsContact C-N 3.29Å; Q447-A449 PolarHBondContact O-N 3.26Å; A449-Y452 PolarHBondContact O-N 3.06Å; A449-C453 WeakPolarHBondContact O-CB 3.2Å; A449-C453 PolarHBondContact O-N 3Å; A449-C453 PolarHBondContact O-SG 2.95Å
450	K	98.7	Very high	98.3	Very high	80 Å²	80	49.4 Å²	49.4	35%	0.348	26%	0.259	S	S	.	.	H	α-helix	trans	-59	-48.7	173.7	-75.8	168.8	-177	178.2	0	111.8	W385 S386 A446 Q447 Y452 C453 A454	W385-K450 HydrophobicContact CB-CG 3.97Å; W385-K450 HydrophobicContact CD2-CG 4.18Å; W385-K450 HydrophobicContact CE3-CD 4.28Å; W385-K450 HydrophobicContact CE3-CG 3.65Å; W385-K450 HydrophobicContact CG-CG 4.35Å; W385-K450 HydrophobicContact CZ3-CG 4.45Å; S386-K450 VanDerWaalsContact OG-CE 3.31Å; S386-K450 WeakPolarHBondContact OG-CE 3.28Å; A446-K450 WeakPolarHBondContact O-CB 3.35Å; A446-K450 VanDerWaalsContact O-CG 3.23Å; A446-K450 WeakPolarHBondContact O-CG 3.09Å; A446-K450 PolarHBondContact O-N 3.14Å; Q447-K450 PolarHBondContact O-N 2.98Å; K450-Y452 PolarHBondContact O-N 3.13Å; K450-C453 PolarHBondContact O-N 2.84Å; K450-A454 WeakPolarHBondContact O-CB 3.49Å; K450-A454 PolarHBondContact O-N 3.27Å
451	D	98.6	Very high	98.3	Very high	88 Å²	88	53.2 Å²	53.2	47%	0.471	28%	0.275	S	S	.	.	H	α-helix	trans	-65.2	-40.5	-178.5	-67.3	-25.9	0	0	0	111.9	Q447 T455	Q447-D451 PolarHBondContact NE2-OD1 3.48Å; Q447-D451 PolarHBondContact NE2-OD2 3.32Å; Q447-D451 VanDerWaalsContact O-CG 3.31Å; Q447-D451 PolarHBondContact O-N 3.14Å; D451-T455 PolarHBondContact O-N 3.13Å; D451-T455 PolarHBondContact O-OG1 2.63Å
452	Y	98.6	Very high	98.3	Very high	10 Å²	10	54.8 Å²	54.8	4%	0.039	28%	0.28	C	S	.	.	H	α-helix	trans	-59.7	-49.1	173	179.4	-84.5	0	0	0	111	V433 L434 A448 A449 K450 A454 T455 L460 F469 L478 Q481	V433-Y452 HydrophobicContact CB-CD2 4.23Å; V433-Y452 HydrophobicContact CB-CE2 3.68Å; V433-Y452 HydrophobicContact CG1-CE2 4.3Å; V433-Y452 HydrophobicContact CG2-CD2 3.99Å; V433-Y452 HydrophobicContact CG2-CE2 3.62Å; L434-Y452 HydrophobicContact CD2-CD2 4Å; L434-Y452 HydrophobicContact CD2-CG 3.87Å; A448-Y452 VanDerWaalsContact O-CB 3.31Å; A448-Y452 WeakPolarHBondContact O-CB 3.24Å; A448-Y452 PolarHBondContact O-N 2.84Å; A449-Y452 PolarHBondContact O-N 3.06Å; K450-Y452 PolarHBondContact O-N 3.13Å; Y452-A454 PolarHBondContact O-N 2.95Å; Y452-T455 VanDerWaalsContact O-CB 3.28Å; Y452-T455 WeakPolarHBondContact O-CB 3.35Å; Y452-T455 PolarHBondContact O-N 2.75Å; Y452-T455 VanDerWaalsContact O-N 3.11Å; Y452-L460 HydrophobicContact CD2-CD2 3.99Å; Y452-L460 HydrophobicContact CE1-CD1 4.02Å; Y452-L460 HydrophobicContact CE2-CD1 4.34Å; Y452-L460 HydrophobicContact CE2-CD2 3.59Å; Y452-F469 HydrophobicContact CE2-CE1 4.38Å; Y452-F469 HydrophobicContact CE2-CZ 4.18Å; Y452-L478 WeakPolarHBondContact OH-CA 3.49Å; Y452-L478 PolarHBondContact OH-O 3.19Å; Y452-Q481 HydrophobicContact CD1-CB 4.15Å; Y452-Q481 HydrophobicContact CD1-CG 3.69Å; Y452-Q481 HydrophobicContact CE1-CB 3.5Å; Y452-Q481 VanDerWaalsContact CE1-CB 3.5Å; Y452-Q481 HydrophobicContact CE1-CG 3.54Å; Y452-Q481 HydrophobicContact CE2-CG 4.49Å; Y452-Q481 HydrophobicContact CG-CG 4.27Å
453	C	98.7	Very high	98.3	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-67.2	-35.7	-176.7	-68.4	0	0	0	0	113.7	V364 G383 W385 A449 K450 T455 C482	V364-C453 WeakPolarHBondContact CG2-O 3.21Å; V364-C453 PolarHBondContact N-O 3.26Å; G383-C453 WeakPolarHBondContact CA-O 3.42Å; G383-C453 CarbonylContact O-C 3.56Å; W385-C453 HydrophobicContact CB-CB 4.17Å; A449-C453 WeakPolarHBondContact O-CB 3.2Å; A449-C453 PolarHBondContact O-N 3Å; A449-C453 PolarHBondContact O-SG 2.95Å; K450-C453 PolarHBondContact O-N 2.84Å; C453-T455 PolarHBondContact O-N 2.85Å; C453-C482 WeakPolarHBondContact CA-SG 3.44Å; C453-C482 HydrophobicContact CB-CB 4.18Å; C453-C482 WeakPolarHBondContact CB-SG 3.46Å; C453-C482 WeakPolarHBondContact SG-CA 3.36Å; C453-C482 WeakPolarHBondContact SG-CB 3.43Å; C453-C482 CovalentContact SG-SG 2.04Å; C453-C482 PolarHBondContact SG-SG 3.27Å
454	A	98.6	Very high	98.2	Very high	62 Å²	62	55 Å²	55	51%	0.512	27%	0.273	S	S	.	.	H	α-helix	trans	-71.3	-11.1	175	0	0	0	0	0	113.4	K450 Y452	K450-A454 WeakPolarHBondContact O-CB 3.49Å; K450-A454 PolarHBondContact O-N 3.27Å; Y452-A454 PolarHBondContact O-N 2.95Å
455	T	98.6	Very high	98.1	Very high	24 Å²	24	53.6 Å²	53.6	15%	0.147	28%	0.277	C	S	.	.	S	Bend	trans	-76	134	177.3	-58.9	0	0	0	0	110.7	D451 Y452 C453 T459 L460	D451-T455 PolarHBondContact O-N 3.13Å; D451-T455 PolarHBondContact O-OG1 2.63Å; Y452-T455 VanDerWaalsContact O-CB 3.28Å; Y452-T455 WeakPolarHBondContact O-CB 3.35Å; Y452-T455 PolarHBondContact O-N 2.75Å; Y452-T455 VanDerWaalsContact O-N 3.11Å; C453-T455 PolarHBondContact O-N 2.85Å; T455-T459 HydrophobicContact CG2-CG2 3.88Å; T455-L460 HydrophobicContact CG2-CD2 3.72Å; T455-L460 HydrophobicContact CG2-CG 3.88Å
456	K	98.5	Very high	98	Very high	128 Å²	128	58.5 Å²	58.5	56%	0.557	30%	0.303	S	S	*	.	B	Isolated β-bridge	trans	-58.9	139	177.1	-68.3	-178.7	-179.7	177.7	0	111.6	V364 S458 T459 L460	V364-K456 HydrophobicContact CG1-CG 4.26Å; K456-S458 VanDerWaalsContact C-N 3.27Å; K456-S458 PolarHBondContact O-N 2.69Å; K456-T459 WeakPolarHBondContact O-CB 3.32Å; K456-T459 PolarHBondContact O-N 3.17Å; K456-L460 PolarHBondContact O-N 2.8Å
457	W	98.4	Very high	97.9	Very high	31 Å²	31	66.1 Å²	66.1	12%	0.117	34%	0.337	C	S	.	.	H	α-helix	trans	-53.6	-39.5	179	-179.5	-123.2	0	0	0	114	P363 V364 M366 T459 L460 K461 I475 L478 K479	P363-W457 HydrophobicContact CB-CE3 4.02Å; P363-W457 HydrophobicContact CG-CE3 4Å; P363-W457 HydrophobicContact CG-CZ3 4.19Å; V364-W457 PolarHBondContact O-N 3.25Å; M366-W457 HydrophobicContact CB-CB 3.94Å; M366-W457 HydrophobicContact CB-CD2 4.11Å; M366-W457 HydrophobicContact CB-CE3 4.46Å; M366-W457 HydrophobicContact CB-CG 3.86Å; M366-W457 HydrophobicContact CE-CD2 4.44Å; M366-W457 HydrophobicContact CE-CH2 3.9Å; M366-W457 HydrophobicContact CE-CZ2 3.65Å; M366-W457 HydrophobicContact CE-CZ3 4.37Å; M366-W457 HydrophobicContact CG-CD2 3.91Å; M366-W457 HydrophobicContact CG-CE3 4.35Å; M366-W457 HydrophobicContact CG-CG 4Å; M366-W457 HydrophobicContact SD-CD2 3.86Å; M366-W457 HydrophobicContact SD-CE3 3.78Å; M366-W457 HydrophobicContact SD-CH2 3.98Å; M366-W457 HydrophobicContact SD-CZ2 4.04Å; M366-W457 HydrophobicContact SD-CZ3 3.83Å; W457-T459 VanDerWaalsContact C-N 3.34Å; W457-T459 PolarHBondContact O-N 3.14Å; W457-L460 HydrophobicContact CE3-CB 4.39Å; W457-L460 HydrophobicContact CE3-CD1 4.22Å; W457-L460 PolarHBondContact O-N 3.48Å; W457-K461 HydrophobicContact CD2-CG 4.32Å; W457-K461 HydrophobicContact CZ2-CD 4.05Å; W457-K461 HydrophobicContact CZ2-CG 4Å; W457-K461 PolarHBondContact O-N 2.8Å; W457-I475 HydrophobicContact CH2-CG2 4.41Å; W457-I475 HydrophobicContact CZ2-CG2 4.34Å; W457-L478 HydrophobicContact CH2-CB 3.9Å; W457-L478 HydrophobicContact CZ3-CB 3.84Å; W457-K479 HydrophobicContact CH2-CB 4.11Å
458	S	98.1	Very high	97.7	Very high	76 Å²	76	66.6 Å²	66.6	53%	0.531	34%	0.342	S	S	.	.	H	α-helix	trans	-61.2	-41.7	176.5	51.8	0	0	0	0	112.6	K456 K461 Q462	K456-S458 VanDerWaalsContact C-N 3.27Å; K456-S458 PolarHBondContact O-N 2.69Å; S458-K461 PolarHBondContact O-N 3.06Å; S458-Q462 PolarHBondContact O-N 3.4Å
459	T	98.3	Very high	97.6	Very high	46 Å²	46	66.7 Å²	66.7	28%	0.282	34%	0.338	S	S	.	.	H	α-helix	trans	-67.4	-39.8	176.3	-55.6	0	0	0	0	111.4	T455 K456 W457 Q462 R463	T455-T459 HydrophobicContact CG2-CG2 3.88Å; K456-T459 WeakPolarHBondContact O-CB 3.32Å; K456-T459 PolarHBondContact O-N 3.17Å; W457-T459 VanDerWaalsContact C-N 3.34Å; W457-T459 PolarHBondContact O-N 3.14Å; T459-Q462 PolarHBondContact O-N 2.96Å; T459-R463 VanDerWaalsContact O-CG 3.31Å; T459-R463 WeakPolarHBondContact O-CG 3.4Å; T459-R463 PolarHBondContact O-N 3.49Å
460	L	98.1	Very high	97.3	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-61.5	-44.6	175.7	-67.2	177	0	0	0	111.7	P363 Y452 T455 K456 W457 R463 L464 F469 L478	P363-L460 HydrophobicContact CB-CD1 3.78Å; P363-L460 HydrophobicContact CG-CD1 4.14Å; Y452-L460 HydrophobicContact CD2-CD2 3.99Å; Y452-L460 HydrophobicContact CE1-CD1 4.02Å; Y452-L460 HydrophobicContact CE2-CD1 4.34Å; Y452-L460 HydrophobicContact CE2-CD2 3.59Å; T455-L460 HydrophobicContact CG2-CD2 3.72Å; T455-L460 HydrophobicContact CG2-CG 3.88Å; K456-L460 PolarHBondContact O-N 2.8Å; W457-L460 HydrophobicContact CE3-CB 4.39Å; W457-L460 HydrophobicContact CE3-CD1 4.22Å; W457-L460 PolarHBondContact O-N 3.48Å; L460-R463 WeakPolarHBondContact O-CB 3.45Å; L460-R463 PolarHBondContact O-N 3.33Å; L460-L464 PolarHBondContact O-N 3.38Å; L460-F469 HydrophobicContact CD2-CZ 4.29Å; L460-L478 HydrophobicContact CB-CD2 4.24Å; L460-L478 WeakPolarHBondContact O-CD2 3.39Å
461	K	97.7	Very high	96.8	Very high	87 Å²	87	73.6 Å²	73.6	38%	0.378	37%	0.374	S	S	.	.	H	α-helix	trans	-60.9	-45.9	174.8	-70.9	-170.6	-64.9	173.3	0	112.2	W457 S458 R463 L464 D465 I475	W457-K461 HydrophobicContact CD2-CG 4.32Å; W457-K461 HydrophobicContact CZ2-CD 4.05Å; W457-K461 HydrophobicContact CZ2-CG 4Å; W457-K461 PolarHBondContact O-N 2.8Å; S458-K461 PolarHBondContact O-N 3.06Å; K461-R463 PolarHBondContact O-N 3.41Å; K461-L464 WeakPolarHBondContact O-CA 3.37Å; K461-L464 WeakPolarHBondContact O-CB 3.47Å; K461-L464 PolarHBondContact O-N 3.2Å; K461-D465 VanDerWaalsContact O-CG 3.32Å; K461-D465 PolarHBondContact O-N 3.49Å; K461-I475 HydrophobicContact CG-CD1 4.45Å
462	Q	97.8	Very high	96.3	Very high	115 Å²	115	73.4 Å²	73.4	54%	0.537	37%	0.371	S	S	.	.	H	α-helix	trans	-58.4	-38	175.8	-173.2	-175.6	11.5	0	0	112	S458 T459 L464 D465 N466	S458-Q462 PolarHBondContact O-N 3.4Å; T459-Q462 PolarHBondContact O-N 2.96Å; Q462-L464 VanDerWaalsContact C-N 3.34Å; Q462-D465 PolarHBondContact O-N 3.07Å; Q462-N466 VanDerWaalsContact O-CB 3.31Å; Q462-N466 WeakPolarHBondContact O-CB 3.4Å; Q462-N466 VanDerWaalsContact O-CG 3.23Å; Q462-N466 PolarHBondContact O-N 3.14Å; Q462-N466 PolarHBondContact O-ND2 2.84Å
463	R	97.6	Very high	95.9	Very high	96 Å²	96	73.4 Å²	73.4	36%	0.362	37%	0.373	S	S	.	.	H	α-helix	trans	-65.5	-37.4	175.9	-71.8	176.4	-179.5	170.2	2.2	112.3	T459 L460 K461 N466 Q467 L468 F469	T459-R463 VanDerWaalsContact O-CG 3.31Å; T459-R463 WeakPolarHBondContact O-CG 3.4Å; T459-R463 PolarHBondContact O-N 3.49Å; L460-R463 WeakPolarHBondContact O-CB 3.45Å; L460-R463 PolarHBondContact O-N 3.33Å; K461-R463 PolarHBondContact O-N 3.41Å; R463-N466 CarbonylContact O-C 3.52Å; R463-N466 PolarHBondContact O-N 3.04Å; R463-Q467 PolarHBondContact O-N 2.99Å; R463-L468 HydrophobicContact CB-CB 4.23Å; R463-L468 HydrophobicContact CB-CD1 4.01Å; R463-L468 HydrophobicContact CG-CD1 3.97Å; R463-L468 WeakPolarHBondContact O-CB 3.13Å; R463-L468 PolarHBondContact O-N 3.35Å; R463-F469 HydrophobicContact CB-CD2 4.47Å; R463-F469 HydrophobicContact CB-CE2 3.68Å; R463-F469 HydrophobicContact CB-CZ 3.8Å
464	L	95.9	Very high	95.7	Very high	34 Å²	34	77.2 Å²	77.2	18%	0.178	39%	0.393	C	S	.	.	H	α-helix	trans	-65.1	-47.4	173.5	-178.9	67.3	0	0	0	111.4	L460 K461 Q462 N466 Q467 F469 A473 I475 L478	L460-L464 PolarHBondContact O-N 3.38Å; K461-L464 WeakPolarHBondContact O-CA 3.37Å; K461-L464 WeakPolarHBondContact O-CB 3.47Å; K461-L464 PolarHBondContact O-N 3.2Å; Q462-L464 VanDerWaalsContact C-N 3.34Å; L464-N466 PolarHBondContact O-N 3.38Å; L464-Q467 PolarHBondContact O-N 3.05Å; L464-F469 HydrophobicContact CB-CD2 3.99Å; L464-F469 HydrophobicContact CB-CE2 4.26Å; L464-F469 HydrophobicContact CD1-CD2 4.1Å; L464-A473 WeakPolarHBondContact CD1-O 3.35Å; L464-I475 HydrophobicContact CD2-CD1 3.58Å; L464-I475 HydrophobicContact CD2-CG1 4.09Å; L464-L478 HydrophobicContact CB-CD1 4.48Å; L464-L478 HydrophobicContact CB-CD2 3.8Å; L464-L478 HydrophobicContact CD1-CD1 4.09Å; L464-L478 HydrophobicContact CD2-CD1 4.21Å; L464-L478 HydrophobicContact CD2-CD2 4.01Å; L464-L478 HydrophobicContact CG-CD2 4.42Å
465	D	95.8	Very high	95.5	Very high	121 Å²	121	78.4 Å²	78.4	65%	0.647	39%	0.39	S	S	*	.	H	α-helix	trans	-59.9	-35.3	178.6	-61.8	-26.9	0	0	0	111.5	K461 Q462 Q467	K461-D465 VanDerWaalsContact O-CG 3.32Å; K461-D465 PolarHBondContact O-N 3.49Å; Q462-D465 PolarHBondContact O-N 3.07Å; D465-Q467 VanDerWaalsContact C-N 3.26Å; D465-Q467 PolarHBondContact O-N 2.86Å
466	N	96.6	Very high	95.3	Very high	102 Å²	102	80 Å²	80	55%	0.545	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	8.6	175.2	-70.4	-14.3	0	0	0	114.2	Q462 R463 L464 L468	Q462-N466 VanDerWaalsContact O-CB 3.31Å; Q462-N466 WeakPolarHBondContact O-CB 3.4Å; Q462-N466 VanDerWaalsContact O-CG 3.23Å; Q462-N466 PolarHBondContact O-N 3.14Å; Q462-N466 PolarHBondContact O-ND2 2.84Å; R463-N466 CarbonylContact O-C 3.52Å; R463-N466 PolarHBondContact O-N 3.04Å; L464-N466 PolarHBondContact O-N 3.38Å; N466-L468 VanDerWaalsContact C-N 3.29Å; N466-L468 HydrophobicContact CB-CD1 3.72Å; N466-L468 HydrophobicContact CB-CG 4.49Å; N466-L468 PolarHBondContact O-N 3.34Å
467	Q	94.7	Very high	95.1	Very high	172 Å²	172	74.7 Å²	74.7	80%	0.804	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	34.6	177.2	-54.3	179.5	3.3	0	0	114.5	R463 L464 D465 F469	R463-Q467 PolarHBondContact O-N 2.99Å; L464-Q467 PolarHBondContact O-N 3.05Å; D465-Q467 VanDerWaalsContact C-N 3.26Å; D465-Q467 PolarHBondContact O-N 2.86Å; Q467-F469 VanDerWaalsContact C-N 3.28Å; Q467-F469 PolarHBondContact O-N 2.94Å
468	L	95.8	Very high	95.1	Very high	105 Å²	105	73.2 Å²	73.2	55%	0.55	37%	0.373	S	S	.	.			trans	-80.5	-7	177	-76.3	138.5	0	0	0	113.8	R463 N466	R463-L468 HydrophobicContact CB-CB 4.23Å; R463-L468 HydrophobicContact CB-CD1 4.01Å; R463-L468 HydrophobicContact CG-CD1 3.97Å; R463-L468 WeakPolarHBondContact O-CB 3.13Å; R463-L468 PolarHBondContact O-N 3.35Å; N466-L468 VanDerWaalsContact C-N 3.29Å; N466-L468 HydrophobicContact CB-CD1 3.72Å; N466-L468 HydrophobicContact CB-CG 4.49Å; N466-L468 PolarHBondContact O-N 3.34Å
469	F	95.8	Very high	95.1	Very high	23 Å²	23	71 Å²	71	10%	0.101	35%	0.354	C	S	.	.	S	Bend	trans	-107.2	174.2	178.8	-61.6	-49.2	0	0	0	111.4	D432 V433 Y452 L460 R463 L464 Q467 A473 L478	D432-F469 WeakPolarHBondContact O-CB 3.22Å; V433-F469 HydrophobicContact CB-CD1 3.75Å; V433-F469 HydrophobicContact CB-CE1 3.79Å; V433-F469 HydrophobicContact CB-CG 4.35Å; V433-F469 HydrophobicContact CB-CZ 4.44Å; V433-F469 HydrophobicContact CG1-CB 4.41Å; V433-F469 HydrophobicContact CG1-CD1 3.89Å; V433-F469 HydrophobicContact CG1-CD2 4.33Å; V433-F469 HydrophobicContact CG1-CE1 4.16Å; V433-F469 HydrophobicContact CG1-CG 3.96Å; V433-F469 WeakPolarHBondContact O-CE1 3.35Å; Y452-F469 HydrophobicContact CE2-CE1 4.38Å; Y452-F469 HydrophobicContact CE2-CZ 4.18Å; L460-F469 HydrophobicContact CD2-CZ 4.29Å; R463-F469 HydrophobicContact CB-CD2 4.47Å; R463-F469 HydrophobicContact CB-CE2 3.68Å; R463-F469 HydrophobicContact CB-CZ 3.8Å; L464-F469 HydrophobicContact CB-CD2 3.99Å; L464-F469 HydrophobicContact CB-CE2 4.26Å; L464-F469 HydrophobicContact CD1-CD2 4.1Å; Q467-F469 VanDerWaalsContact C-N 3.28Å; Q467-F469 PolarHBondContact O-N 2.94Å; F469-A473 HydrophobicContact CB-CB 3.97Å; F469-L478 HydrophobicContact CD2-CD1 3.92Å; F469-L478 HydrophobicContact CD2-CD2 4.5Å; F469-L478 HydrophobicContact CD2-CG 4.47Å; F469-L478 HydrophobicContact CE2-CD1 4.08Å; F469-L478 HydrophobicContact CE2-CD2 4.02Å; F469-L478 HydrophobicContact CE2-CG 4.13Å
470	S	92.3	Very high	95.1	Very high	21 Å²	21	70.9 Å²	70.9	15%	0.147	35%	0.348	C	S	.	.			trans	-58	148.1	172.7	-177.9	0	0	0	0	111	D432 Q472 A473	D432-S470 WeakPolarHBondContact O-CB 3.48Å; D432-S470 PolarHBondContact O-N 3.09Å; S470-Q472 PolarHBondContact O-N 3.07Å; S470-Q472 VanDerWaalsContact O-N 3.1Å; S470-Q472 WeakPolarHBondContact OG-CG 3.33Å; S470-Q472 PolarHBondContact OG-NE2 3.22Å; S470-A473 VanDerWaalsContact O-CB 3.3Å; S470-A473 WeakPolarHBondContact O-CB 3.38Å; S470-A473 PolarHBondContact O-N 2.98Å
471	Q	89.1	Confident	95.1	Very high	204 Å²	204	70.9 Å²	70.9	95%	0.953	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-24.6	178.7	-67	-176	-7.4	0	0	113.4
472	Q	86.4	Confident	95.1	Very high	85 Å²	85	66.8 Å²	66.8	40%	0.397	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-9.4	178.3	71.1	-147.4	-2	0	0	114	D432 S470 D474	D432-Q472 WeakPolarHBondContact OD1-CG 3.48Å; D432-Q472 PolarHBondContact OD1-NE2 2.9Å; S470-Q472 PolarHBondContact O-N 3.07Å; S470-Q472 VanDerWaalsContact O-N 3.1Å; S470-Q472 WeakPolarHBondContact OG-CG 3.33Å; S470-Q472 PolarHBondContact OG-NE2 3.22Å; Q472-D474 PolarHBondContact O-N 2.99Å
473	A	92.1	Very high	95.2	Very high	10 Å²	10	61.3 Å²	61.3	8%	0.083	31%	0.305	C	S	.	.			trans	-72.6	124.1	180	0	0	0	0	0	109.8	D432 V433 L464 F469 S470 R477 L478	D432-A473 HydrophobicContact CB-CB 4.2Å; V433-A473 HydrophobicContact CG1-CB 4.27Å; L464-A473 WeakPolarHBondContact CD1-O 3.35Å; F469-A473 HydrophobicContact CB-CB 3.97Å; S470-A473 VanDerWaalsContact O-CB 3.3Å; S470-A473 WeakPolarHBondContact O-CB 3.38Å; S470-A473 PolarHBondContact O-N 2.98Å; A473-R477 HydrophobicContact CB-CG 4.29Å; A473-L478 HydrophobicContact CB-CD1 4.45Å
474	D	92.7	Very high	95.2	Very high	79 Å²	79	57.3 Å²	57.3	42%	0.422	29%	0.29	S	S	.	.			trans	-113.7	178.1	175.8	66.8	13.8	0	0	0	111.5	Q472 S476 R477 L478	Q472-D474 PolarHBondContact O-N 2.99Å; D474-S476 PolarHBondContact O-N 2.86Å; D474-S476 WeakPolarHBondContact OD1-CA 3.42Å; D474-S476 VanDerWaalsContact OD1-CB 3.27Å; D474-S476 WeakPolarHBondContact OD1-CB 3.49Å; D474-S476 PolarHBondContact OD1-N 2.86Å; D474-R477 WeakPolarHBondContact O-CB 3.34Å; D474-R477 PolarHBondContact O-N 3.12Å; D474-R477 VanDerWaalsContact O-N 3.17Å; D474-R477 PolarHBondContact OD1-N 3.37Å; D474-L478 VanDerWaalsContact O-CD1 3.31Å; D474-L478 WeakPolarHBondContact O-CD1 3.27Å; D474-L478 PolarHBondContact O-N 3.2Å
475	I	94.9	Very high	95.3	Very high	88 Å²	88	55.7 Å²	55.7	45%	0.451	28%	0.281	S	S	.	.	H	α-helix	trans	-57.4	-32.8	177.4	-67.1	-68.8	0	0	0	111.9	W457 K461 L464 L478 K479	W457-I475 HydrophobicContact CH2-CG2 4.41Å; W457-I475 HydrophobicContact CZ2-CG2 4.34Å; K461-I475 HydrophobicContact CG-CD1 4.45Å; L464-I475 HydrophobicContact CD2-CD1 3.58Å; L464-I475 HydrophobicContact CD2-CG1 4.09Å; I475-L478 PolarHBondContact O-N 3.03Å; I475-K479 VanDerWaalsContact O-CB 3.28Å; I475-K479 WeakPolarHBondContact O-CB 3.23Å; I475-K479 PolarHBondContact O-N 2.94Å
476	S	93.9	Very high	95.5	Very high	56 Å²	56	49.9 Å²	49.9	39%	0.392	25%	0.251	S	S	.	.	H	α-helix	trans	-68.5	-44.3	178.4	-172.1	0	0	0	0	111.4	D474 L478 K479 Y480	D474-S476 PolarHBondContact O-N 2.86Å; D474-S476 WeakPolarHBondContact OD1-CA 3.42Å; D474-S476 VanDerWaalsContact OD1-CB 3.27Å; D474-S476 WeakPolarHBondContact OD1-CB 3.49Å; D474-S476 PolarHBondContact OD1-N 2.86Å; S476-L478 VanDerWaalsContact C-N 3.33Å; S476-L478 PolarHBondContact O-N 3.38Å; S476-K479 PolarHBondContact O-N 3.49Å; S476-Y480 VanDerWaalsContact O-CD2 3.3Å; S476-Y480 WeakPolarHBondContact O-CD2 3.14Å; S476-Y480 PolarHBondContact O-N 2.79Å
477	R	95.9	Very high	95.6	Very high	18 Å²	18	45.1 Å²	45.1	7%	0.068	23%	0.225	C	C	.	.	H	α-helix	trans	-57.1	-47.9	171.5	171.5	56.4	64.6	-156.4	-11	110.6	E425 D432 V433 A473 D474 K479 Y480 Q481	E425-R477 VanDerWaalsContact CD-NH2 3.32Å; E425-R477 IonicContact OE1-NH2 2.69Å; E425-R477 PolarHBondContact OE1-NH2 2.85Å; E425-R477 VanDerWaalsContact OE1-NH2 3.11Å; E425-R477 IonicContact OE2-CZ 2.58Å; E425-R477 VanDerWaalsContact OE2-CZ 3.24Å; E425-R477 IonicContact OE2-NH1 3.25Å; E425-R477 PolarHBondContact OE2-NH1 3.3Å; E425-R477 IonicContact OE2-NH2 2.75Å; E425-R477 PolarHBondContact OE2-NH2 3.01Å; D432-R477 HydrophobicContact CB-CG 3.77Å; D432-R477 IonicContact OD2-CZ 2.64Å; D432-R477 IonicContact OD2-NE 3.46Å; D432-R477 PolarHBondContact OD2-NE 2.97Å; D432-R477 IonicContact OD2-NH2 2.7Å; V433-R477 HydrophobicContact CG1-CG 4.01Å; A473-R477 HydrophobicContact CB-CG 4.29Å; D474-R477 WeakPolarHBondContact O-CB 3.34Å; D474-R477 PolarHBondContact O-N 3.12Å; D474-R477 VanDerWaalsContact O-N 3.17Å; D474-R477 PolarHBondContact OD1-N 3.37Å; R477-K479 VanDerWaalsContact C-N 3.34Å; R477-K479 PolarHBondContact O-N 2.85Å; R477-Y480 PolarHBondContact O-N 2.87Å; R477-Q481 VanDerWaalsContact O-CB 3.32Å; R477-Q481 WeakPolarHBondContact O-CB 3.35Å; R477-Q481 PolarHBondContact O-N 2.78Å
478	L	97.4	Very high	95.7	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-58.6	-46.7	179.2	-95.8	70.2	0	0	0	112.3	V433 Y452 W457 L460 L464 F469 A473 D474 I475 S476	V433-L478 HydrophobicContact CG1-CD1 3.91Å; Y452-L478 WeakPolarHBondContact OH-CA 3.49Å; Y452-L478 PolarHBondContact OH-O 3.19Å; W457-L478 HydrophobicContact CH2-CB 3.9Å; W457-L478 HydrophobicContact CZ3-CB 3.84Å; L460-L478 HydrophobicContact CB-CD2 4.24Å; L460-L478 WeakPolarHBondContact O-CD2 3.39Å; L464-L478 HydrophobicContact CB-CD1 4.48Å; L464-L478 HydrophobicContact CB-CD2 3.8Å; L464-L478 HydrophobicContact CD1-CD1 4.09Å; L464-L478 HydrophobicContact CD2-CD1 4.21Å; L464-L478 HydrophobicContact CD2-CD2 4.01Å; L464-L478 HydrophobicContact CG-CD2 4.42Å; F469-L478 HydrophobicContact CD2-CD1 3.92Å; F469-L478 HydrophobicContact CD2-CD2 4.5Å; F469-L478 HydrophobicContact CD2-CG 4.47Å; F469-L478 HydrophobicContact CE2-CD1 4.08Å; F469-L478 HydrophobicContact CE2-CD2 4.02Å; F469-L478 HydrophobicContact CE2-CG 4.13Å; A473-L478 HydrophobicContact CB-CD1 4.45Å; D474-L478 VanDerWaalsContact O-CD1 3.31Å; D474-L478 WeakPolarHBondContact O-CD1 3.27Å; D474-L478 PolarHBondContact O-N 3.2Å; I475-L478 PolarHBondContact O-N 3.03Å; S476-L478 VanDerWaalsContact C-N 3.33Å; S476-L478 PolarHBondContact O-N 3.38Å
479	K	97.4	Very high	95.9	Very high	30 Å²	30	34 Å²	34	13%	0.13	17%	0.169	C	C	.	.	H	α-helix	trans	-60	-50	-179.2	172.3	173.5	-173.4	-171.4	0	112.1	L362 P363 M366 D368 W457 I475 S476 R477	L362-K479 HydrophobicContact CD2-CG 4.16Å; P363-K479 VanDerWaalsContact CD-O 3.3Å; P363-K479 WeakPolarHBondContact CD-O 3.37Å; M366-K479 HydrophobicContact CE-CB 3.77Å; M366-K479 HydrophobicContact CE-CD 3.47Å; M366-K479 VanDerWaalsContact CE-CD 3.47Å; M366-K479 HydrophobicContact CE-CG 3.37Å; M366-K479 HydrophobicContact SD-CB 4.14Å; M366-K479 HydrophobicContact SD-CG 3.8Å; D368-K479 WeakPolarHBondContact OD1-CE 3.35Å; D368-K479 IonicContact OD1-NZ 3.13Å; D368-K479 PolarHBondContact OD1-NZ 3.09Å; D368-K479 WeakPolarHBondContact OD2-CE 3.37Å; D368-K479 IonicContact OD2-NZ 3.89Å; D368-K479 PolarHBondContact OD2-NZ 3.25Å; W457-K479 HydrophobicContact CH2-CB 4.11Å; I475-K479 VanDerWaalsContact O-CB 3.28Å; I475-K479 WeakPolarHBondContact O-CB 3.23Å; I475-K479 PolarHBondContact O-N 2.94Å; S476-K479 PolarHBondContact O-N 3.49Å; R477-K479 VanDerWaalsContact C-N 3.34Å; R477-K479 PolarHBondContact O-N 2.85Å
480	Y	98.1	Very high	95.9	Very high	43 Å²	43	33 Å²	33	17%	0.169	16%	0.164	C	C	.	.	H	α-helix	trans	-98	0.2	-169.6	-62.8	-63.2	0	0	0	114.5	R327 S476 R477 C482 F483 K484	R327-Y480 HydrophobicContact CG-CD1 3.91Å; R327-Y480 HydrophobicContact CG-CE1 3.89Å; S476-Y480 VanDerWaalsContact O-CD2 3.3Å; S476-Y480 WeakPolarHBondContact O-CD2 3.14Å; S476-Y480 PolarHBondContact O-N 2.79Å; R477-Y480 PolarHBondContact O-N 2.87Å; Y480-C482 VanDerWaalsContact C-N 3.27Å; Y480-C482 PolarHBondContact O-N 2.91Å; Y480-F483 PolarHBondContact O-N 3.22Å; Y480-K484 WeakPolarHBondContact O-CB 3.35Å; Y480-K484 WeakPolarHBondContact O-CG 3.45Å; Y480-K484 PolarHBondContact O-N 3.07Å
481	Q	98.5	Very high	96.2	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-53.3	-42.7	178.4	174.5	65.8	18.5	0	0	112.5	C429 V433 Y452 R477 K484 S485	C429-Q481 PolarHBondContact O-NE2 3.01Å; V433-Q481 HydrophobicContact CG2-CB 4.09Å; V433-Q481 HydrophobicContact CG2-CG 3.44Å; V433-Q481 VanDerWaalsContact CG2-CG 3.44Å; Y452-Q481 HydrophobicContact CD1-CB 4.15Å; Y452-Q481 HydrophobicContact CD1-CG 3.69Å; Y452-Q481 HydrophobicContact CE1-CB 3.5Å; Y452-Q481 VanDerWaalsContact CE1-CB 3.5Å; Y452-Q481 HydrophobicContact CE1-CG 3.54Å; Y452-Q481 HydrophobicContact CE2-CG 4.49Å; Y452-Q481 HydrophobicContact CG-CG 4.27Å; R477-Q481 VanDerWaalsContact O-CB 3.32Å; R477-Q481 WeakPolarHBondContact O-CB 3.35Å; R477-Q481 PolarHBondContact O-N 2.78Å; Q481-K484 PolarHBondContact O-N 3.45Å; Q481-S485 WeakPolarHBondContact O-CB 3.37Å; Q481-S485 PolarHBondContact O-N 3.27Å; Q481-S485 PolarHBondContact O-OG 2.95Å
482	C	98.6	Very high	96.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-61.9	-49.5	-178.9	-74.5	0	0	0	0	112.5	C361 C453 Y480 S485 A486	C361-C482 WeakPolarHBondContact O-CB 3.49Å; C453-C482 WeakPolarHBondContact CA-SG 3.44Å; C453-C482 HydrophobicContact CB-CB 4.18Å; C453-C482 WeakPolarHBondContact CB-SG 3.46Å; C453-C482 WeakPolarHBondContact SG-CA 3.36Å; C453-C482 WeakPolarHBondContact SG-CB 3.43Å; C453-C482 CovalentContact SG-SG 2.04Å; C453-C482 PolarHBondContact SG-SG 3.27Å; Y480-C482 VanDerWaalsContact C-N 3.27Å; Y480-C482 PolarHBondContact O-N 2.91Å; C482-S485 PolarHBondContact O-OG 2.98Å; C482-A486 WeakPolarHBondContact O-CB 3.36Å; C482-A486 PolarHBondContact O-N 3.44Å
483	F	98.8	Very high	97	Very high	1 Å²	1	19.3 Å²	19.3	0%	0.004	10%	0.098	C	C	.	.	H	α-helix	trans	-60.1	-54	174.1	-179.9	-88	0	0	0	112	A326 R327 Y330 C361 V392 Y480 S485 A486 W487	A326-F483 VanDerWaalsContact C-CZ 3.47Å; A326-F483 HydrophobicContact CB-CE1 4.01Å; A326-F483 HydrophobicContact CB-CZ 4.17Å; A326-F483 WeakPolarHBondContact O-CZ 3.33Å; R327-F483 VanDerWaalsContact CA-CZ 3.41Å; R327-F483 HydrophobicContact CB-CD1 3.72Å; R327-F483 HydrophobicContact CB-CE1 3.6Å; R327-F483 HydrophobicContact CB-CG 4.34Å; R327-F483 HydrophobicContact CB-CZ 4.09Å; R327-F483 HydrophobicContact CG-CD1 4.28Å; R327-F483 HydrophobicContact CG-CG 4.45Å; R327-F483 VanDerWaalsContact N-CE1 3.26Å; Y330-F483 HydrophobicContact CD1-CD2 4.19Å; Y330-F483 AromaticContact CD1-CE2 3.93Å; Y330-F483 HydrophobicContact CD1-CE2 3.93Å; Y330-F483 HydrophobicContact CD2-CE2 4.05Å; Y330-F483 HydrophobicContact CG-CD2 4.23Å; Y330-F483 AromaticContact CG-CE2 3.55Å; Y330-F483 HydrophobicContact CG-CE2 3.55Å; Y330-F483 HydrophobicContact CG-CZ 4.44Å; C361-F483 HydrophobicContact CB-CB 4.04Å; C361-F483 HydrophobicContact CB-CD2 3.92Å; C361-F483 PolarHBondContact O-N 2.88Å; V392-F483 HydrophobicContact CG1-CD2 3.9Å; V392-F483 HydrophobicContact CG1-CE2 3.44Å; V392-F483 VanDerWaalsContact CG1-CE2 3.44Å; V392-F483 HydrophobicContact CG1-CZ 4.06Å; Y480-F483 PolarHBondContact O-N 3.22Å; F483-S485 VanDerWaalsContact C-N 3.3Å; F483-S485 PolarHBondContact O-N 3.49Å; F483-A486 PolarHBondContact O-N 3.41Å; F483-W487 HydrophobicContact CE1-CB 4.2Å; F483-W487 HydrophobicContact CE1-CG 4.49Å; F483-W487 WeakPolarHBondContact O-CB 3.27Å; F483-W487 PolarHBondContact O-N 3.08Å
484	K	98.6	Very high	97	Very high	11 Å²	11	19.6 Å²	19.6	5%	0.048	10%	0.099	C	C	.	.	H	α-helix	trans	-64.7	-36.2	-173.8	-70.5	-179	169.7	-167.6	0	111.9	N324 E425 Y480 Q481 W487 M488	N324-K484 WeakPolarHBondContact OD1-CE 3.4Å; N324-K484 PolarHBondContact OD1-NZ 2.68Å; E425-K484 IonicContact OE1-NZ 2.7Å; E425-K484 PolarHBondContact OE1-NZ 2.7Å; E425-K484 WeakPolarHBondContact OE2-CD 3.38Å; E425-K484 IonicContact OE2-NZ 2.86Å; Y480-K484 WeakPolarHBondContact O-CB 3.35Å; Y480-K484 WeakPolarHBondContact O-CG 3.45Å; Y480-K484 PolarHBondContact O-N 3.07Å; Q481-K484 PolarHBondContact O-N 3.45Å; K484-W487 PolarHBondContact O-N 2.88Å; K484-M488 WeakPolarHBondContact O-CB 3.45Å; K484-M488 PolarHBondContact O-N 2.83Å
485	S	98.6	Very high	97.1	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-69	-40	177.9	61.4	0	0	0	0	112.9	W385 Y445 Q481 C482 F483 Y489	W385-S485 PolarHBondContact NE1-OG 2.93Å; Y445-S485 WeakPolarHBondContact OH-CA 3.44Å; Y445-S485 WeakPolarHBondContact OH-CB 3.47Å; Y445-S485 PolarHBondContact OH-O 3.17Å; Q481-S485 WeakPolarHBondContact O-CB 3.37Å; Q481-S485 PolarHBondContact O-N 3.27Å; Q481-S485 PolarHBondContact O-OG 2.95Å; C482-S485 PolarHBondContact O-OG 2.98Å; F483-S485 VanDerWaalsContact C-N 3.3Å; F483-S485 PolarHBondContact O-N 3.49Å; S485-Y489 PolarHBondContact O-N 2.78Å; S485-Y489 VanDerWaalsContact O-N 3.14Å
486	A	98.8	Very high	97	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-66.5	-41.8	173.1	0	0	0	0	0	111.3	C388 Q389 V392 C482 F483 Y489 E490	C388-A486 HydrophobicContact CB-CB 4.14Å; C388-A486 VanDerWaalsContact SG-CB 3.59Å; Q389-A486 HydrophobicContact CG-CB 3.97Å; V392-A486 HydrophobicContact CG2-CB 4.4Å; C482-A486 WeakPolarHBondContact O-CB 3.36Å; C482-A486 PolarHBondContact O-N 3.44Å; F483-A486 PolarHBondContact O-N 3.41Å; A486-Y489 PolarHBondContact O-N 3.13Å; A486-E490 WeakPolarHBondContact O-CG 3.05Å; A486-E490 PolarHBondContact O-N 3.05Å
487	W	98.6	Very high	97	Very high	1 Å²	1	15.3 Å²	15.3	0%	0.004	6%	0.063	C	C	.	.	H	α-helix	trans	-60.8	-47.9	175.7	179.7	-114.9	0	0	0	112.2	F321 A326 V392 F395 L396 F483 K484 Y489 E490 V491	F321-W487 HydrophobicContact CB-CZ2 4.04Å; F321-W487 AromaticContact CD1-CH2 3.79Å; F321-W487 HydrophobicContact CD1-CH2 3.79Å; F321-W487 AromaticContact CD1-CZ2 3.54Å; F321-W487 HydrophobicContact CD1-CZ2 3.54Å; F321-W487 HydrophobicContact CE1-CH2 4.04Å; F321-W487 HydrophobicContact CE1-CZ2 4.26Å; F321-W487 HydrophobicContact CG-CZ2 4.03Å; F321-W487 PolarHBondContact O-NE1 3.22Å; A326-W487 HydrophobicContact CB-CD2 3.86Å; A326-W487 VanDerWaalsContact CB-CE2 3.48Å; A326-W487 HydrophobicContact CB-CG 4.14Å; A326-W487 HydrophobicContact CB-CH2 4.49Å; A326-W487 HydrophobicContact CB-CZ2 3.83Å; V392-W487 HydrophobicContact CB-CE3 4.08Å; V392-W487 HydrophobicContact CG2-CE3 4.28Å; F395-W487 HydrophobicContact CB-CH2 4.11Å; F395-W487 HydrophobicContact CB-CZ3 3.83Å; L396-W487 HydrophobicContact CD2-CH2 3.66Å; L396-W487 HydrophobicContact CD2-CZ2 4.38Å; L396-W487 HydrophobicContact CD2-CZ3 3.72Å; L396-W487 HydrophobicContact CG-CH2 4.33Å; L396-W487 HydrophobicContact CG-CZ3 4.07Å; F483-W487 HydrophobicContact CE1-CB 4.2Å; F483-W487 HydrophobicContact CE1-CG 4.49Å; F483-W487 WeakPolarHBondContact O-CB 3.27Å; F483-W487 PolarHBondContact O-N 3.08Å; K484-W487 PolarHBondContact O-N 2.88Å; W487-Y489 VanDerWaalsContact C-N 3.3Å; W487-Y489 PolarHBondContact O-N 3.13Å; W487-E490 PolarHBondContact O-N 3.02Å; W487-V491 HydrophobicContact CD2-CG2 3.92Å; W487-V491 HydrophobicContact CE3-CG2 4.4Å; W487-V491 HydrophobicContact CG-CG2 4.38Å; W487-V491 HydrophobicContact CH2-CG2 4.3Å; W487-V491 HydrophobicContact CZ2-CG2 3.79Å; W487-V491 WeakPolarHBondContact O-CB 3.35Å; W487-V491 VanDerWaalsContact O-CG2 3.28Å; W487-V491 WeakPolarHBondContact O-CG2 3.42Å; W487-V491 PolarHBondContact O-N 3.03Å
488	M	98.2	Very high	97	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.005	6%	0.061	C	C	.	.	H	α-helix	trans	-56.6	-44.1	175.3	-174.8	-164.1	103.8	0	0	111.8	F426 C429 M430 Y440 Y445 K484 L492	F426-M488 HydrophobicContact CB-SD 4.46Å; F426-M488 HydrophobicContact CD1-CG 3.54Å; F426-M488 HydrophobicContact CD1-SD 3.96Å; F426-M488 HydrophobicContact CE1-CG 3.77Å; F426-M488 HydrophobicContact CG-CG 4.32Å; C429-M488 HydrophobicContact CB-SD 3.75Å; M430-M488 HydrophobicContact CG-CE 4.3Å; Y440-M488 HydrophobicContact CD2-CE 4.37Å; Y440-M488 HydrophobicContact CE2-CE 3.84Å; Y445-M488 HydrophobicContact CD1-CE 4.27Å; Y445-M488 HydrophobicContact CD2-CE 4.02Å; Y445-M488 HydrophobicContact CE1-CE 3.69Å; Y445-M488 HydrophobicContact CE2-CE 3.41Å; Y445-M488 VanDerWaalsContact CE2-CE 3.41Å; Y445-M488 HydrophobicContact CE2-SD 4.22Å; Y445-M488 HydrophobicContact CG-CE 4.39Å; Y445-M488 VanDerWaalsContact OH-CE 3.28Å; Y445-M488 WeakPolarHBondContact OH-CE 3.5Å; Y445-M488 PolarHBondContact OH-SD 3.48Å; K484-M488 WeakPolarHBondContact O-CB 3.45Å; K484-M488 PolarHBondContact O-N 2.83Å; M488-L492 WeakPolarHBondContact O-CB 3.46Å; M488-L492 PolarHBondContact O-N 3.09Å
489	Y	98.3	Very high	96.9	Very high	44 Å²	44	16.7 Å²	16.7	17%	0.173	7%	0.074	C	C	.	.	H	α-helix	trans	-62.3	-49.3	178.2	-171.2	-79.9	0	0	0	112	W385 S442 Y445 A446 S485 A486 W487 L492 H493	W385-Y489 AromaticContact CH2-CD2 3.74Å; W385-Y489 HydrophobicContact CH2-CD2 3.74Å; W385-Y489 HydrophobicContact CH2-CE2 4.15Å; W385-Y489 AromaticContact CH2-CG 3.94Å; W385-Y489 HydrophobicContact CH2-CG 3.94Å; W385-Y489 HydrophobicContact CZ2-CD2 4.21Å; W385-Y489 HydrophobicContact CZ2-CG 4.21Å; S442-Y489 VanDerWaalsContact OG-CE2 3.27Å; S442-Y489 WeakPolarHBondContact OG-CE2 3.16Å; S442-Y489 PolarHBondContact OG-OH 2.92Å; Y445-Y489 AromaticContact CD1-CD2 3.95Å; Y445-Y489 HydrophobicContact CD1-CD2 3.95Å; Y445-Y489 HydrophobicContact CE1-CD2 4.15Å; A446-Y489 HydrophobicContact CB-CE2 4.28Å; S485-Y489 PolarHBondContact O-N 2.78Å; S485-Y489 VanDerWaalsContact O-N 3.14Å; A486-Y489 PolarHBondContact O-N 3.13Å; W487-Y489 VanDerWaalsContact C-N 3.3Å; W487-Y489 PolarHBondContact O-N 3.13Å; Y489-L492 PolarHBondContact O-N 3.39Å; Y489-H493 AromaticContact CD1-CD2 3.9Å; Y489-H493 AromaticContact CD2-CD2 3.81Å; Y489-H493 HydrophobicContact CE1-CB 4.24Å; Y489-H493 AromaticContact CE1-CD2 3.67Å; Y489-H493 AromaticContact CE2-CD2 3.59Å; Y489-H493 AromaticContact CE2-NE2 3.96Å; Y489-H493 AromaticContact CG-CD2 3.98Å; Y489-H493 AromaticContact CZ-CD2 3.52Å; Y489-H493 PolarHBondContact O-N 2.57Å
490	E	97.8	Very high	96.8	Very high	1 Å²	1	19 Å²	19	1%	0.005	9%	0.093	C	C	.	.	I	π-helix	trans	-67.8	-38.3	-178.3	-73.7	-64.3	143.3	0	0	111.5	Q389 V392 R393 L396 A486 W487 L492 S494 G495	Q389-E490 HydrophobicContact CB-CG 4.16Å; Q389-E490 HydrophobicContact CG-CG 4.47Å; V392-E490 HydrophobicContact CG2-CB 4.26Å; V392-E490 HydrophobicContact CG2-CG 3.92Å; R393-E490 IonicContact CZ-OE1 2.67Å; R393-E490 IonicContact CZ-OE2 2.73Å; R393-E490 IonicContact NE-OE1 3.96Å; R393-E490 IonicContact NE-OE2 3.24Å; R393-E490 PolarHBondContact NE-OE2 3.1Å; R393-E490 IonicContact NH2-OE1 3.3Å; R393-E490 PolarHBondContact NH2-OE1 2.68Å; R393-E490 IonicContact NH2-OE2 2.79Å; R393-E490 PolarHBondContact NH2-OE2 3.02Å; L396-E490 HydrophobicContact CD1-CB 4.14Å; A486-E490 WeakPolarHBondContact O-CG 3.05Å; A486-E490 PolarHBondContact O-N 3.05Å; W487-E490 PolarHBondContact O-N 3.02Å; E490-L492 VanDerWaalsContact C-N 3.35Å; E490-L492 PolarHBondContact O-N 2.94Å; E490-S494 CarbonylContact O-C 3.55Å; E490-S494 WeakPolarHBondContact O-CA 3.4Å; E490-S494 WeakPolarHBondContact O-CB 3.46Å; E490-S494 PolarHBondContact O-N 3.23Å; E490-S494 VanDerWaalsContact OE2-CB 3.25Å; E490-S494 WeakPolarHBondContact OE2-CB 3.41Å; E490-S494 PolarHBondContact OE2-OG 3.09Å; E490-G495 PolarHBondContact O-N 2.89Å
491	V	96.9	Very high	96.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.119	C	C	.	.	I	π-helix	trans	-57.9	-46.8	171.1	162.7	0	0	0	0	111.2	M265 L270 L396 F426 W487 G495 F496	M265-V491 HydrophobicContact CE-CB 4Å; M265-V491 HydrophobicContact CE-CG1 3.91Å; M265-V491 HydrophobicContact CE-CG2 3.91Å; L270-V491 HydrophobicContact CD1-CG1 4.27Å; L270-V491 HydrophobicContact CD2-CB 4.48Å; L270-V491 HydrophobicContact CD2-CG1 3.38Å; L270-V491 HydrophobicContact CD2-CG2 4.23Å; L270-V491 HydrophobicContact CG-CG1 4.47Å; L396-V491 HydrophobicContact CD2-CG2 3.77Å; F426-V491 HydrophobicContact CZ-CG1 4.35Å; W487-V491 HydrophobicContact CD2-CG2 3.92Å; W487-V491 HydrophobicContact CE3-CG2 4.4Å; W487-V491 HydrophobicContact CG-CG2 4.38Å; W487-V491 HydrophobicContact CH2-CG2 4.3Å; W487-V491 HydrophobicContact CZ2-CG2 3.79Å; W487-V491 WeakPolarHBondContact O-CB 3.35Å; W487-V491 VanDerWaalsContact O-CG2 3.28Å; W487-V491 WeakPolarHBondContact O-CG2 3.42Å; W487-V491 PolarHBondContact O-N 3.03Å; V491-G495 CarbonylContact O-C 3.53Å; V491-G495 WeakPolarHBondContact O-CA 3.44Å; V491-G495 PolarHBondContact O-N 3.31Å; V491-F496 HydrophobicContact CG1-CD2 4.01Å; V491-F496 HydrophobicContact CG1-CE2 3.64Å; V491-F496 HydrophobicContact CG1-CZ 4.36Å; V491-F496 PolarHBondContact O-N 3.17Å
492	L	96.4	Very high	96.6	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	12%	0.122	C	C	.	.	I	π-helix	trans	-68.7	-55	-176.5	-178.3	63.5	0	0	0	112.3	M263 Y440 M488 Y489 E490 R497 F498 L505	M263-L492 HydrophobicContact CE-CD1 3.77Å; M263-L492 HydrophobicContact SD-CD1 3.94Å; Y440-L492 HydrophobicContact CD1-CD2 4.23Å; Y440-L492 HydrophobicContact CE1-CD2 3.68Å; Y440-L492 HydrophobicContact CE2-CD2 4.22Å; M488-L492 WeakPolarHBondContact O-CB 3.46Å; M488-L492 PolarHBondContact O-N 3.09Å; Y489-L492 PolarHBondContact O-N 3.39Å; E490-L492 VanDerWaalsContact C-N 3.35Å; E490-L492 PolarHBondContact O-N 2.94Å; L492-R497 PolarHBondContact O-N 2.94Å; L492-F498 HydrophobicContact CD1-CB 3.72Å; L492-F498 HydrophobicContact CD1-CD1 3.96Å; L492-F498 HydrophobicContact CD1-CD2 3.71Å; L492-F498 HydrophobicContact CD1-CE2 4.32Å; L492-F498 HydrophobicContact CD1-CG 3.5Å; L492-F498 HydrophobicContact CG-CB 3.93Å; L492-F498 HydrophobicContact CG-CG 4.29Å; L492-F498 PolarHBondContact O-N 3.25Å; L492-F498 VanDerWaalsContact O-N 3.13Å; L492-L505 HydrophobicContact CD1-CD2 3.92Å; L492-L505 HydrophobicContact CD2-CD2 3.6Å; L492-L505 HydrophobicContact CG-CD2 4.43Å
493	H	95.7	Very high	96.4	Very high	22 Å²	22	27.4 Å²	27.4	10%	0.102	15%	0.15	C	C	.	.	I	π-helix	trans	-90.6	-39.6	-169.4	-68.2	-57.9	0	0	0	113.4	Y440 S442 Y489 R497 F498 P499	Y440-H493 AromaticContact CE1-NE2 3.65Å; Y440-H493 AromaticContact CZ-NE2 3.71Å; Y440-H493 PolarHBondContact OH-NE2 3.31Å; S442-H493 PolarHBondContact OG-NE2 3.15Å; Y489-H493 AromaticContact CD1-CD2 3.9Å; Y489-H493 AromaticContact CD2-CD2 3.81Å; Y489-H493 HydrophobicContact CE1-CB 4.24Å; Y489-H493 AromaticContact CE1-CD2 3.67Å; Y489-H493 AromaticContact CE2-CD2 3.59Å; Y489-H493 AromaticContact CE2-NE2 3.96Å; Y489-H493 AromaticContact CG-CD2 3.98Å; Y489-H493 AromaticContact CZ-CD2 3.52Å; Y489-H493 PolarHBondContact O-N 2.57Å; H493-R497 WeakPolarHBondContact O-CA 3.24Å; H493-F498 PolarHBondContact ND1-O 3.43Å; H493-P499 PolarHBondContact CE1-O 3.27Å
494	S	93.8	Very high	96.3	Very high	15 Å²	15	29.6 Å²	29.6	11%	0.105	17%	0.166	C	C	.	.	I	π-helix	trans	-89	-39.1	178.9	-56.7	0	0	0	0	111.9	E490 R497	E490-S494 CarbonylContact O-C 3.55Å; E490-S494 WeakPolarHBondContact O-CA 3.4Å; E490-S494 WeakPolarHBondContact O-CB 3.46Å; E490-S494 PolarHBondContact O-N 3.23Å; E490-S494 VanDerWaalsContact OE2-CB 3.25Å; E490-S494 WeakPolarHBondContact OE2-CB 3.41Å; E490-S494 PolarHBondContact OE2-OG 3.09Å; S494-R497 WeakPolarHBondContact O-CD 3.45Å; S494-R497 PolarHBondContact O-NE 3.1Å
495	G	93.3	Very high	96.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.164	C	C	.	.	I	π-helix	trans	-71.6	-72.9	178.3	0	0	0	0	0	111.9	S404 E490 V491 R497	S404-G495 WeakPolarHBondContact CA-O 3.43Å; E490-G495 PolarHBondContact O-N 2.89Å; V491-G495 CarbonylContact O-C 3.53Å; V491-G495 WeakPolarHBondContact O-CA 3.44Å; V491-G495 PolarHBondContact O-N 3.31Å; G495-R497 VanDerWaalsContact C-N 3.31Å; G495-R497 PolarHBondContact O-N 3.27Å
496	F	93.6	Very high	96.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.182	C	C	.	.	S	Bend	trans	-83.8	-2.3	-174.4	-61.1	-42.7	0	0	0	115	M263 L270 I272 F318 P405 Q410 V491 F498	M263-F496 HydrophobicContact SD-CD2 3.84Å; M263-F496 HydrophobicContact SD-CE2 4.19Å; L270-F496 HydrophobicContact CD1-CE2 4.27Å; L270-F496 HydrophobicContact CD2-CE2 3.85Å; L270-F496 HydrophobicContact CD2-CZ 3.62Å; L270-F496 HydrophobicContact CG-CE2 4.32Å; L270-F496 HydrophobicContact CG-CZ 4.1Å; I272-F496 HydrophobicContact CB-CE1 4.39Å; I272-F496 HydrophobicContact CB-CE2 4.25Å; I272-F496 HydrophobicContact CB-CZ 3.98Å; I272-F496 HydrophobicContact CD1-CB 4.48Å; I272-F496 HydrophobicContact CD1-CD1 4.09Å; I272-F496 HydrophobicContact CD1-CD2 4.01Å; I272-F496 HydrophobicContact CD1-CE1 4.31Å; I272-F496 HydrophobicContact CD1-CE2 4.19Å; I272-F496 HydrophobicContact CD1-CG 3.95Å; I272-F496 HydrophobicContact CD1-CZ 4.34Å; I272-F496 HydrophobicContact CG2-CD1 4.42Å; I272-F496 HydrophobicContact CG2-CE1 3.7Å; I272-F496 HydrophobicContact CG2-CE2 4.41Å; I272-F496 HydrophobicContact CG2-CZ 3.68Å; F318-F496 HydrophobicContact CD2-CE1 4.38Å; F318-F496 HydrophobicContact CD2-CZ 4.19Å; F318-F496 AromaticContact CE2-CE1 3.45Å; F318-F496 HydrophobicContact CE2-CE1 3.45Å; F318-F496 VanDerWaalsContact CE2-CE1 3.45Å; F318-F496 AromaticContact CE2-CZ 3.65Å; F318-F496 HydrophobicContact CE2-CZ 3.65Å; F318-F496 AromaticContact CZ-CE1 3.86Å; F318-F496 HydrophobicContact CZ-CE1 3.86Å; F318-F496 HydrophobicContact CZ-CZ 4.47Å; P405-F496 HydrophobicContact CG-CE1 4.37Å; Q410-F496 PolarHBondContact NE2-O 2.98Å; Q410-F496 VanDerWaalsContact NE2-O 3.14Å; V491-F496 HydrophobicContact CG1-CD2 4.01Å; V491-F496 HydrophobicContact CG1-CE2 3.64Å; V491-F496 HydrophobicContact CG1-CZ 4.36Å; V491-F496 PolarHBondContact O-N 3.17Å; F496-F498 HydrophobicContact CB-CD2 3.62Å; F496-F498 HydrophobicContact CB-CE2 3.8Å; F496-F498 PolarHBondContact O-N 3.32Å
497	R	93.3	Very high	95.8	Very high	134 Å²	134	33.2 Å²	33.2	51%	0.506	18%	0.182	S	C	.	.			trans	60.4	30.5	177.2	-54.8	-61.2	-172.5	159.5	2.1	113.9	F415 L492 H493 S494 G495 P499	F415-R497 WeakPolarHBondContact CZ-O 3.13Å; L492-R497 PolarHBondContact O-N 2.94Å; H493-R497 WeakPolarHBondContact O-CA 3.24Å; S494-R497 WeakPolarHBondContact O-CD 3.45Å; S494-R497 PolarHBondContact O-NE 3.1Å; G495-R497 VanDerWaalsContact C-N 3.31Å; G495-R497 PolarHBondContact O-N 3.27Å; R497-P499 WeakPolarHBondContact O-CD 3.48Å
498	F	95.6	Very high	95.2	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.018	18%	0.184	C	C	.	.			trans	-62.6	130.3	169.8	-83.5	-110.1	0	0	0	109.3	M263 I272 I413 F415 F420 L492 H493 F496 Y502	M263-F498 HydrophobicContact CE-CE1 4.12Å; M263-F498 HydrophobicContact CE-CE2 4.26Å; M263-F498 HydrophobicContact CE-CZ 3.85Å; M263-F498 HydrophobicContact SD-CE2 3.98Å; M263-F498 HydrophobicContact SD-CZ 4.1Å; I272-F498 HydrophobicContact CD1-CE2 4.31Å; I413-F498 HydrophobicContact CD1-CE2 4.07Å; I413-F498 HydrophobicContact CD1-CZ 4.3Å; F415-F498 HydrophobicContact CD1-CD1 4.26Å; F415-F498 HydrophobicContact CD1-CE1 4.42Å; F415-F498 HydrophobicContact CE1-CB 4.36Å; F415-F498 AromaticContact CE1-CD1 3.73Å; F415-F498 HydrophobicContact CE1-CD1 3.73Å; F415-F498 AromaticContact CE1-CD2 3.96Å; F415-F498 HydrophobicContact CE1-CD2 3.96Å; F415-F498 AromaticContact CE1-CE1 3.92Å; F415-F498 HydrophobicContact CE1-CE1 3.92Å; F415-F498 HydrophobicContact CE1-CE2 4.13Å; F415-F498 AromaticContact CE1-CG 3.76Å; F415-F498 HydrophobicContact CE1-CG 3.76Å; F415-F498 HydrophobicContact CE1-CZ 4.11Å; F415-F498 HydrophobicContact CZ-CD2 4.35Å; F415-F498 HydrophobicContact CZ-CG 4.39Å; F420-F498 HydrophobicContact CB-CE1 4.29Å; F420-F498 HydrophobicContact CD1-CE1 4.41Å; F420-F498 AromaticContact CD1-CZ 3.82Å; F420-F498 HydrophobicContact CD1-CZ 3.82Å; F420-F498 AromaticContact CD2-CE1 3.77Å; F420-F498 HydrophobicContact CD2-CE1 3.77Å; F420-F498 AromaticContact CD2-CZ 3.8Å; F420-F498 HydrophobicContact CD2-CZ 3.8Å; F420-F498 AromaticContact CE1-CZ 3.87Å; F420-F498 HydrophobicContact CE1-CZ 3.87Å; F420-F498 HydrophobicContact CE2-CE1 4.15Å; F420-F498 AromaticContact CE2-CZ 3.85Å; F420-F498 HydrophobicContact CE2-CZ 3.85Å; F420-F498 AromaticContact CG-CE1 3.91Å; F420-F498 HydrophobicContact CG-CE1 3.91Å; F420-F498 AromaticContact CG-CZ 3.78Å; F420-F498 HydrophobicContact CG-CZ 3.78Å; F420-F498 AromaticContact CZ-CZ 3.89Å; F420-F498 HydrophobicContact CZ-CZ 3.89Å; L492-F498 HydrophobicContact CD1-CB 3.72Å; L492-F498 HydrophobicContact CD1-CD1 3.96Å; L492-F498 HydrophobicContact CD1-CD2 3.71Å; L492-F498 HydrophobicContact CD1-CE2 4.32Å; L492-F498 HydrophobicContact CD1-CG 3.5Å; L492-F498 HydrophobicContact CG-CB 3.93Å; L492-F498 HydrophobicContact CG-CG 4.29Å; L492-F498 PolarHBondContact O-N 3.25Å; L492-F498 VanDerWaalsContact O-N 3.13Å; H493-F498 PolarHBondContact ND1-O 3.43Å; F496-F498 HydrophobicContact CB-CD2 3.62Å; F496-F498 HydrophobicContact CB-CE2 3.8Å; F496-F498 PolarHBondContact O-N 3.32Å; F498-Y502 AromaticContact CD1-CD1 3.59Å; F498-Y502 HydrophobicContact CD1-CD1 3.59Å; F498-Y502 AromaticContact CD1-CE1 3.8Å; F498-Y502 HydrophobicContact CD1-CE1 3.8Å; F498-Y502 HydrophobicContact CD1-CG 4.03Å; F498-Y502 AromaticContact CE1-CD1 3.97Å; F498-Y502 HydrophobicContact CE1-CD1 3.97Å; F498-Y502 AromaticContact CE1-CE1 3.66Å; F498-Y502 HydrophobicContact CE1-CE1 3.66Å
499	P	96.4	Very high	94.4	Very high	43 Å²	43	35.6 Å²	35.6	28%	0.279	19%	0.194	S	C	.	.			trans	-58.4	148.2	173.6	-24.7	34.2	0	0	0	111.8	F415 H493 R497 D501 Y502	F415-P499 HydrophobicContact CB-CG 4.33Å; F415-P499 HydrophobicContact CD1-CG 4.47Å; F415-P499 HydrophobicContact CD2-CG 3.99Å; F415-P499 HydrophobicContact CE2-CG 4.42Å; F415-P499 HydrophobicContact CG-CG 4.02Å; H493-P499 PolarHBondContact CE1-O 3.27Å; R497-P499 WeakPolarHBondContact O-CD 3.48Å; P499-D501 WeakPolarHBondContact CB-OD1 3.46Å; P499-D501 PolarHBondContact O-N 3.07Å; P499-Y502 VanDerWaalsContact O-CB 3.25Å; P499-Y502 WeakPolarHBondContact O-CB 3.41Å; P499-Y502 PolarHBondContact O-N 3.16Å
500	S	95.3	Very high	93.3	Very high	77 Å²	77	37.3 Å²	37.3	54%	0.538	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-27.7	177.9	50.4	0	0	0	0	112.9	S442	S442-S500 WeakPolarHBondContact CB-O 3.47Å
501	D	95.6	Very high	92.2	Very high	131 Å²	131	37.5 Å²	37.5	70%	0.701	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.4	9.1	177.7	64.7	-24.9	0	0	0	113.4	P499 A503	P499-D501 WeakPolarHBondContact CB-OD1 3.46Å; P499-D501 PolarHBondContact O-N 3.07Å; D501-A503 PolarHBondContact O-N 3.39Å
502	Y	96.9	Very high	90.8	Very high	16 Å²	16	41.8 Å²	41.8	6%	0.063	22%	0.224	C	C	.	.			trans	-63.2	107.5	179.5	-175.6	-106.8	0	0	0	111.8	F415 S418 E419 F420 F498 P499 S504 L505	F415-Y502 HydrophobicContact CB-CD2 4.1Å; F415-Y502 HydrophobicContact CB-CE2 4.15Å; F415-Y502 AromaticContact CD1-CD2 3.9Å; F415-Y502 HydrophobicContact CD1-CD2 3.9Å; F415-Y502 AromaticContact CD1-CE2 3.88Å; F415-Y502 HydrophobicContact CD1-CE2 3.88Å; F415-Y502 HydrophobicContact CG-CD2 4.42Å; F415-Y502 WeakPolarHBondContact O-CE2 3.27Å; S418-Y502 PolarHBondContact O-OH 2.87Å; S418-Y502 PolarHBondContact OG-OH 3.45Å; E419-Y502 WeakPolarHBondContact CA-OH 3.09Å; E419-Y502 PolarHBondContact N-OH 2.81Å; F420-Y502 WeakPolarHBondContact CD2-OH 3.49Å; F498-Y502 AromaticContact CD1-CD1 3.59Å; F498-Y502 HydrophobicContact CD1-CD1 3.59Å; F498-Y502 AromaticContact CD1-CE1 3.8Å; F498-Y502 HydrophobicContact CD1-CE1 3.8Å; F498-Y502 HydrophobicContact CD1-CG 4.03Å; F498-Y502 AromaticContact CE1-CD1 3.97Å; F498-Y502 HydrophobicContact CE1-CD1 3.97Å; F498-Y502 AromaticContact CE1-CE1 3.66Å; F498-Y502 HydrophobicContact CE1-CE1 3.66Å; P499-Y502 VanDerWaalsContact O-CB 3.25Å; P499-Y502 WeakPolarHBondContact O-CB 3.41Å; P499-Y502 PolarHBondContact O-N 3.16Å; Y502-S504 WeakPolarHBondContact OH-CB 3.21Å; Y502-L505 HydrophobicContact CD1-CB 3.75Å; Y502-L505 HydrophobicContact CE1-CB 3.77Å
503	A	94.4	Very high	89.2	Confident	73 Å²	73	46.1 Å²	46.1	60%	0.603	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.7	0.3	-172.4	0	0	0	0	0	114.5	Q439 D501	Q439-A503 PolarHBondContact NE2-O 3.05Å; D501-A503 PolarHBondContact O-N 3.39Å
504	S	96.1	Very high	87.8	Confident	48 Å²	48	47.5 Å²	47.5	34%	0.336	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	25.4	-173.3	-56.2	0	0	0	0	113.4	S418 E419 F420 Y502	S418-S504 WeakPolarHBondContact O-CB 3.41Å; E419-S504 WeakPolarHBondContact CA-O 3.4Å; F420-S504 PolarHBondContact N-O 3.5Å; Y502-S504 WeakPolarHBondContact OH-CB 3.21Å
505	L	97.1	Very high	86.6	Confident	2 Å²	2	48 Å²	48	1%	0.01	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	121.9	171.7	173.8	60.7	0	0	0	110.6	M263 F420 Q439 Y440 L492 Y502	M263-L505 HydrophobicContact CE-CD1 3.54Å; M263-L505 HydrophobicContact CE-CD2 4.2Å; F420-L505 HydrophobicContact CB-CD1 3.95Å; F420-L505 WeakPolarHBondContact O-CA 3.44Å; Q439-L505 PolarHBondContact NE2-O 3.4Å; Y440-L505 VanDerWaalsContact CB-O 3.29Å; Y440-L505 WeakPolarHBondContact CB-O 3.34Å; Y440-L505 HydrophobicContact CD1-CD2 3.89Å; Y440-L505 HydrophobicContact CD2-CD2 4.36Å; Y440-L505 HydrophobicContact CG-CD2 3.76Å; Y440-L505 HydrophobicContact CG-CG 4.25Å; Y440-L505 PolarHBondContact N-O 2.81Å; L492-L505 HydrophobicContact CD1-CD2 3.92Å; L492-L505 HydrophobicContact CD2-CD2 3.6Å; L492-L505 HydrophobicContact CG-CD2 4.43Å; Y502-L505 HydrophobicContact CD1-CB 3.75Å; Y502-L505 HydrophobicContact CE1-CB 3.77Å
506	K	95.5	Very high	85.4	Confident	83 Å²	83	48.3 Å²	48.3	36%	0.361	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	130.7	174	-172.2	173.6	174.9	-174.5	0	110.8	F420 Y421 G422 G438	F420-K506 PolarHBondContact O-N 2.9Å; Y421-K506 CarbonylContact C-O 3.52Å; Y421-K506 VanDerWaalsContact CA-O 3.24Å; Y421-K506 WeakPolarHBondContact CA-O 3.46Å; Y421-K506 HydrophobicContact CD1-CB 4.35Å; Y421-K506 HydrophobicContact CE1-CB 4.14Å; Y421-K506 HydrophobicContact CE1-CD 3.74Å; Y421-K506 HydrophobicContact CE1-CG 4.13Å; G422-K506 PolarHBondContact N-O 3.46Å; G438-K506 CarbonylContact O-C 3.46Å; G438-K506 WeakPolarHBondContact O-CA 3.37Å
507	T	93.2	Very high	84.6	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.012	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	133.9	171.4	68.6	0	0	0	0	109.9	G422 F426 M430 G438	G422-T507 VanDerWaalsContact O-CA 3.28Å; G422-T507 WeakPolarHBondContact O-CA 3.34Å; F426-T507 HydrophobicContact CB-CG2 4.14Å; F426-T507 WeakPolarHBondContact O-CG2 3.24Å; M430-T507 HydrophobicContact SD-CG2 3.42Å; M430-T507 WeakPolarHBondContact SD-CG2 3.37Å; M430-T507 PolarHBondContact SD-OG1 3.13Å; G438-T507 WeakPolarHBondContact CA-O 3.16Å; G438-T507 PolarHBondContact N-O 3.11Å; G438-T507 PolarHBondContact N-OG1 3.35Å; G438-T507 PolarHBondContact O-N 3.08Å; G438-T507 PolarHBondContact O-OG1 3.26Å
508	A	86.6	Confident	84.4	Confident	6 Å²	6	43.7 Å²	43.7	5%	0.05	24%	0.239	C	C	.	.			trans	-153.9	147.8	-176.1	0	0	0	0	0	110.9	Y421 G422 F423 F427 V511	Y421-A508 HydrophobicContact CD1-CB 4.3Å; G422-A508 PolarHBondContact O-N 2.96Å; F423-A508 WeakPolarHBondContact CD1-O 3.47Å; F427-A508 VanDerWaalsContact CD2-CA 3.47Å; A508-V511 HydrophobicContact CB-CG2 4.17Å
509	Q	79.9	Confident	84.3	Confident	45 Å²	45	43.5 Å²	43.5	21%	0.21	24%	0.239	C	C	.	.	S	Bend	trans	-96.7	-36.8	163	179.9	173.7	1.6	0	0	111	F427	F427-Q509 HydrophobicContact CD1-CB 3.62Å; F427-Q509 HydrophobicContact CD2-CB 4.48Å; F427-Q509 HydrophobicContact CE1-CB 3.47Å; F427-Q509 VanDerWaalsContact CE1-CB 3.47Å; F427-Q509 HydrophobicContact CE1-CG 4.42Å; F427-Q509 VanDerWaalsContact CE1-OE1 3.27Å; F427-Q509 HydrophobicContact CE2-CB 4.34Å; F427-Q509 HydrophobicContact CG-CB 4.1Å; F427-Q509 HydrophobicContact CZ-CB 3.83Å
510	L	76.9	Confident	84.1	Confident	81 Å²	81	42 Å²	42	42%	0.424	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	142.7	177	-52.2	179.3	0	0	0	109.3	K514 E515	L510-K514 CarbonylContact C-O 3.55Å; L510-K514 VanDerWaalsContact CA-O 3.25Å; L510-K514 WeakPolarHBondContact CA-O 3.39Å; L510-E515 VanDerWaalsContact CD2-CA 3.46Å; L510-E515 HydrophobicContact CD2-CB 3.75Å; L510-E515 HydrophobicContact CD2-CG 3.88Å
511	V	73.1	Confident	84	Confident	5 Å²	5	38.3 Å²	38.3	3%	0.03	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	120.6	167.7	-178.8	0	0	0	0	107	I225 V228 L229 Y421 A508 D513 K514 V516	I225-V511 HydrophobicContact CD1-CB 4.3Å; I225-V511 HydrophobicContact CD1-CG1 4.29Å; I225-V511 HydrophobicContact CD1-CG2 3.77Å; V228-V511 HydrophobicContact CG1-CB 4.07Å; V228-V511 HydrophobicContact CG1-CG1 4Å; L229-V511 HydrophobicContact CD2-CG1 3.74Å; Y421-V511 HydrophobicContact CD1-CG2 3.99Å; Y421-V511 HydrophobicContact CE1-CG2 3.77Å; A508-V511 HydrophobicContact CB-CG2 4.17Å; V511-D513 VanDerWaalsContact C-N 3.3Å; V511-D513 PolarHBondContact O-N 3.1Å; V511-K514 PolarHBondContact N-O 3.28Å; V511-K514 WeakPolarHBondContact O-CB 3.43Å; V511-K514 PolarHBondContact O-N 3.48Å; V511-K514 VanDerWaalsContact O-N 3.11Å; V511-V516 HydrophobicContact CB-CG2 3.45Å; V511-V516 VanDerWaalsContact CB-CG2 3.45Å; V511-V516 HydrophobicContact CG2-CB 4.44Å; V511-V516 HydrophobicContact CG2-CG2 3.48Å; V511-V516 VanDerWaalsContact CG2-CG2 3.48Å
512	Y	68.2	Low	84	Confident	90 Å²	90	32.1 Å²	32.1	35%	0.353	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	43.9	-173.8	-55.7	-51	0	0	0	113.3	K64 L68 V228 L229 K514	K64-Y512 WeakPolarHBondContact CE-OH 3.41Å; K64-Y512 PolarHBondContact NZ-OH 3.07Å; L68-Y512 HydrophobicContact CD1-CD1 4.36Å; L68-Y512 HydrophobicContact CD1-CD2 4.43Å; L68-Y512 HydrophobicContact CD1-CG 3.93Å; L68-Y512 HydrophobicContact CD2-CD1 4.36Å; L68-Y512 HydrophobicContact CD2-CG 4.46Å; V228-Y512 HydrophobicContact CG1-CD2 4.11Å; L229-Y512 HydrophobicContact CD2-CE2 3.78Å; Y512-K514 PolarHBondContact O-N 2.87Å
513	D	63	Low	83.9	Confident	92 Å²	92	31.3 Å²	31.3	49%	0.492	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	17.9	-177.1	-57.4	-45.9	0	0	0	115.2	R119 V511	R119-D513 PolarHBondContact NH2-O 3.25Å; V511-D513 VanDerWaalsContact C-N 3.3Å; V511-D513 PolarHBondContact O-N 3.1Å
514	K	66.4	Low	83.9	Confident	51 Å²	51	28.2 Å²	28.2	22%	0.222	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	131.1	170.7	-60.9	177.3	-176.4	-179.2	0	109	S71 V228 L510 V511 Y512 V516	S71-K514 WeakPolarHBondContact OG-CE 3.34Å; V228-K514 HydrophobicContact CG1-CD 4.49Å; L510-K514 CarbonylContact C-O 3.55Å; L510-K514 VanDerWaalsContact CA-O 3.25Å; L510-K514 WeakPolarHBondContact CA-O 3.39Å; V511-K514 PolarHBondContact N-O 3.28Å; V511-K514 WeakPolarHBondContact O-CB 3.43Å; V511-K514 PolarHBondContact O-N 3.48Å; V511-K514 VanDerWaalsContact O-N 3.11Å; Y512-K514 PolarHBondContact O-N 2.87Å; K514-V516 PolarHBondContact O-N 3.05Å; K514-V516 VanDerWaalsContact O-N 3.12Å
515	E	67.8	Low	83.8	Confident	24 Å²	24	27.9 Å²	27.9	11%	0.112	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	111.4	172.7	-152.1	-179.8	167.9	0	0	107.6	K129 L510 Q517	K129-E515 IonicContact NZ-OE1 2.74Å; K129-E515 PolarHBondContact NZ-OE1 3.44Å; K129-E515 IonicContact NZ-OE2 2.97Å; L510-E515 VanDerWaalsContact CD2-CA 3.46Å; L510-E515 HydrophobicContact CD2-CB 3.75Å; L510-E515 HydrophobicContact CD2-CG 3.88Å; E515-Q517 VanDerWaalsContact C-N 3.32Å; E515-Q517 HydrophobicContact CB-CG 4.17Å; E515-Q517 HydrophobicContact CG-CG 3.71Å; E515-Q517 PolarHBondContact O-N 3.05Å; E515-Q517 PolarHBondContact OE1-NE2 2.97Å
516	V	69.7	Low	83.6	Confident	8 Å²	8	30.4 Å²	30.4	5%	0.048	14%	0.143	C	C	.	.			trans	-82.4	90.3	178.1	-178.9	0	0	0	0	107.4	I225 V228 F423 V511 K514	I225-V516 HydrophobicContact CB-CG1 3.82Å; I225-V516 HydrophobicContact CD1-CG1 3.97Å; I225-V516 HydrophobicContact CD1-CG2 4.05Å; I225-V516 HydrophobicContact CG1-CG1 4.42Å; V228-V516 HydrophobicContact CB-CG2 4.4Å; V228-V516 HydrophobicContact CG1-CG2 4.22Å; V228-V516 HydrophobicContact CG2-CG2 4.32Å; F423-V516 HydrophobicContact CD1-CB 4.5Å; F423-V516 HydrophobicContact CE1-CB 3.64Å; F423-V516 HydrophobicContact CE1-CG1 3.88Å; F423-V516 HydrophobicContact CE1-CG2 4.41Å; F423-V516 HydrophobicContact CE2-CG1 4.41Å; F423-V516 HydrophobicContact CZ-CB 3.94Å; F423-V516 HydrophobicContact CZ-CG1 3.64Å; V511-V516 HydrophobicContact CB-CG2 3.45Å; V511-V516 VanDerWaalsContact CB-CG2 3.45Å; V511-V516 HydrophobicContact CG2-CB 4.44Å; V511-V516 HydrophobicContact CG2-CG2 3.48Å; V511-V516 VanDerWaalsContact CG2-CG2 3.48Å; K514-V516 PolarHBondContact O-N 3.05Å; K514-V516 VanDerWaalsContact O-N 3.12Å
517	Q	75.3	Confident	83.4	Confident	28 Å²	28	26.7 Å²	26.7	13%	0.131	13%	0.127	C	C	.	.			trans	-107.7	147.4	177.3	-64.1	-63.6	-20.5	0	0	109.4	F98 E515 T519 L520	F98-Q517 HydrophobicContact CE1-CB 4.4Å; F98-Q517 HydrophobicContact CE1-CG 3.77Å; F98-Q517 HydrophobicContact CZ-CB 4.3Å; F98-Q517 HydrophobicContact CZ-CG 3.73Å; E515-Q517 VanDerWaalsContact C-N 3.32Å; E515-Q517 HydrophobicContact CB-CG 4.17Å; E515-Q517 HydrophobicContact CG-CG 3.71Å; E515-Q517 PolarHBondContact O-N 3.05Å; E515-Q517 PolarHBondContact OE1-NE2 2.97Å; Q517-T519 WeakPolarHBondContact CB-OG1 3.36Å; Q517-T519 PolarHBondContact O-N 3.33Å; Q517-T519 VanDerWaalsContact O-N 3.09Å; Q517-L520 WeakPolarHBondContact O-CB 3.5Å; Q517-L520 PolarHBondContact O-N 3.2Å
518	W	89.7	Confident	83.1	Confident	9 Å²	9	29.5 Å²	29.5	3%	0.034	14%	0.138	C	C	.	.	H	α-helix	trans	-57.6	-23.1	172	64.6	-97.2	0	0	0	111.7	D89 L172 T174 I212 E217 Y220 A221 L520 G521 A522	D89-W518 HydrophobicContact CB-CH2 4.45Å; D89-W518 HydrophobicContact CB-CZ2 3.72Å; D89-W518 WeakPolarHBondContact OD1-CZ2 3.19Å; L172-W518 HydrophobicContact CB-CH2 3.53Å; L172-W518 HydrophobicContact CB-CZ3 3.88Å; L172-W518 HydrophobicContact CD1-CH2 4.22Å; L172-W518 HydrophobicContact CD1-CZ3 3.7Å; L172-W518 HydrophobicContact CG-CZ3 4.45Å; T174-W518 HydrophobicContact CG2-CH2 4.01Å; T174-W518 HydrophobicContact CG2-CZ2 3.44Å; T174-W518 VanDerWaalsContact CG2-CZ2 3.44Å; I212-W518 HydrophobicContact CD1-CE3 3.96Å; I212-W518 HydrophobicContact CD1-CH2 3.7Å; I212-W518 HydrophobicContact CD1-CZ2 4.34Å; I212-W518 HydrophobicContact CD1-CZ3 3.49Å; I212-W518 VanDerWaalsContact CD1-CZ3 3.49Å; E217-W518 HydrophobicContact CG-CD2 4.31Å; E217-W518 HydrophobicContact CG-CG 4.25Å; Y220-W518 WeakPolarHBondContact CB-O 3.24Å; Y220-W518 HydrophobicContact CD2-CE3 4.12Å; Y220-W518 HydrophobicContact CD2-CZ3 4.42Å; A221-W518 HydrophobicContact CB-CB 3.87Å; W518-L520 VanDerWaalsContact C-N 3.26Å; W518-L520 PolarHBondContact O-N 2.95Å; W518-G521 PolarHBondContact O-N 3.34Å; W518-G521 VanDerWaalsContact O-N 3.16Å; W518-A522 HydrophobicContact CE3-CB 4.14Å; W518-A522 HydrophobicContact CZ3-CB 4.2Å; W518-A522 PolarHBondContact O-N 3.16Å
519	T	92.8	Very high	83.1	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-60.6	-31.6	175.7	59.2	0	0	0	0	113.2	V87 D89 F98 Y100 Q517 A522 I523	V87-T519 HydrophobicContact CB-CG2 4.35Å; V87-T519 HydrophobicContact CG1-CG2 3.64Å; D89-T519 HydrophobicContact CB-CG2 3.91Å; F98-T519 HydrophobicContact CD2-CG2 3.84Å; F98-T519 WeakPolarHBondContact CD2-OG1 3.23Å; F98-T519 HydrophobicContact CE2-CG2 3.93Å; Y100-T519 PolarHBondContact OH-OG1 2.58Å; Q517-T519 WeakPolarHBondContact CB-OG1 3.36Å; Q517-T519 PolarHBondContact O-N 3.33Å; Q517-T519 VanDerWaalsContact O-N 3.09Å; T519-A522 PolarHBondContact O-N 3.4Å; T519-I523 PolarHBondContact O-N 3.15Å
520	L	92.5	Very high	83.2	Confident	10 Å²	10	33.6 Å²	33.6	5%	0.052	16%	0.156	C	C	.	.	H	α-helix	trans	-67	-43.7	174.6	176.9	59.4	0	0	0	111.5	Y100 I115 F227 V228 Q517 W518 A522 I523 L524	Y100-L520 HydrophobicContact CD1-CD1 4Å; Y100-L520 HydrophobicContact CE1-CB 4.12Å; Y100-L520 HydrophobicContact CE1-CD1 3.76Å; Y100-L520 HydrophobicContact CE1-CG 4.47Å; Y100-L520 PolarHBondContact OH-N 2.96Å; I115-L520 HydrophobicContact CB-CD1 4.25Å; I115-L520 HydrophobicContact CG2-CD1 3.7Å; F227-L520 HydrophobicContact CD1-CD1 4.47Å; F227-L520 HydrophobicContact CD1-CD2 4.08Å; F227-L520 HydrophobicContact CD1-CG 4.34Å; F227-L520 HydrophobicContact CE1-CD1 4.48Å; V228-L520 HydrophobicContact CG2-CD2 3.45Å; V228-L520 VanDerWaalsContact CG2-CD2 3.45Å; Q517-L520 WeakPolarHBondContact O-CB 3.5Å; Q517-L520 PolarHBondContact O-N 3.2Å; W518-L520 VanDerWaalsContact C-N 3.26Å; W518-L520 PolarHBondContact O-N 2.95Å; L520-A522 VanDerWaalsContact C-N 3.31Å; L520-I523 HydrophobicContact CD1-CG2 4.27Å; L520-I523 WeakPolarHBondContact O-CG2 3.29Å; L520-L524 WeakPolarHBondContact O-CB 3.4Å; L520-L524 PolarHBondContact O-N 3.3Å
521	G	94.3	Very high	83.4	Confident	0 Å²	0	30 Å²	30	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-68.8	-32.1	174.5	0	0	0	0	0	112.6	Y220 W518 F525	Y220-G521 WeakPolarHBondContact O-CA 3.4Å; W518-G521 PolarHBondContact O-N 3.34Å; W518-G521 VanDerWaalsContact O-N 3.16Å; G521-F525 VanDerWaalsContact O-CB 3.24Å; G521-F525 WeakPolarHBondContact O-CB 3.42Å; G521-F525 PolarHBondContact O-N 2.85Å
522	A	95.3	Very high	83.5	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.008	15%	0.146	C	C	.	.	H	α-helix	trans	-64.6	-49.8	174.9	0	0	0	0	0	111.4	L172 Y220 W518 T519 L520 F525 K526	L172-A522 HydrophobicContact CD1-CB 3.89Å; Y220-A522 HydrophobicContact CD1-CB 4.25Å; Y220-A522 HydrophobicContact CD2-CB 3.63Å; Y220-A522 HydrophobicContact CE2-CB 3.96Å; Y220-A522 HydrophobicContact CG-CB 3.79Å; W518-A522 HydrophobicContact CE3-CB 4.14Å; W518-A522 HydrophobicContact CZ3-CB 4.2Å; W518-A522 PolarHBondContact O-N 3.16Å; T519-A522 PolarHBondContact O-N 3.4Å; L520-A522 VanDerWaalsContact C-N 3.31Å; A522-F525 PolarHBondContact O-N 3.03Å; A522-K526 VanDerWaalsContact O-CB 3.28Å; A522-K526 WeakPolarHBondContact O-CB 3.43Å; A522-K526 WeakPolarHBondContact O-CG 3.15Å; A522-K526 PolarHBondContact O-N 3.3Å
523	I	95.1	Very high	83.9	Confident	0 Å²	0	36 Å²	36	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.9	-46.2	177.5	-170	68.2	0	0	0	110.4	V87 Y100 W102 I115 Y170 T519 L520 F525 K526 T527	V87-I523 HydrophobicContact CG2-CB 3.86Å; V87-I523 HydrophobicContact CG2-CD1 4.19Å; V87-I523 HydrophobicContact CG2-CG1 4.47Å; Y100-I523 HydrophobicContact CD2-CB 4.35Å; Y100-I523 HydrophobicContact CD2-CG2 3.84Å; Y100-I523 HydrophobicContact CE2-CG2 4.08Å; Y100-I523 HydrophobicContact CG-CG2 4.12Å; W102-I523 HydrophobicContact CH2-CD1 4.5Å; W102-I523 HydrophobicContact CH2-CG1 4.48Å; W102-I523 HydrophobicContact CZ3-CG1 4.14Å; I115-I523 HydrophobicContact CD1-CG1 4.36Å; I115-I523 HydrophobicContact CD1-CG2 4.1Å; I115-I523 HydrophobicContact CG2-CG2 4.03Å; Y170-I523 HydrophobicContact CD2-CD1 3.83Å; Y170-I523 HydrophobicContact CE2-CD1 3.62Å; T519-I523 PolarHBondContact O-N 3.15Å; L520-I523 HydrophobicContact CD1-CG2 4.27Å; L520-I523 WeakPolarHBondContact O-CG2 3.29Å; I523-F525 VanDerWaalsContact C-N 3.32Å; I523-F525 PolarHBondContact O-N 3.39Å; I523-K526 PolarHBondContact O-N 3.25Å; I523-T527 HydrophobicContact CD1-CG2 3.73Å; I523-T527 HydrophobicContact CG1-CG2 4.08Å; I523-T527 WeakPolarHBondContact O-CB 3.41Å; I523-T527 WeakPolarHBondContact O-CG2 3.19Å; I523-T527 PolarHBondContact O-N 2.99Å; I523-T527 PolarHBondContact O-OG1 3.43Å
524	L	93.4	Very high	84.4	Confident	7 Å²	7	35.2 Å²	35.2	4%	0.037	16%	0.157	C	C	.	.	H	α-helix	trans	-57.6	-44.3	178.3	-173.3	66.7	0	0	0	112.2	L112 L113 I115 I223 F227 L520 R528	L112-L524 HydrophobicContact CB-CD1 4.38Å; L112-L524 HydrophobicContact CD1-CD2 4.22Å; L113-L524 HydrophobicContact CB-CD1 4.38Å; I115-L524 HydrophobicContact CD1-CB 4.05Å; I115-L524 HydrophobicContact CD1-CD1 3.7Å; I115-L524 HydrophobicContact CG1-CD1 4.16Å; I223-L524 HydrophobicContact CG2-CB 4.48Å; I223-L524 HydrophobicContact CG2-CD2 3.71Å; F227-L524 HydrophobicContact CB-CD2 4.02Å; F227-L524 HydrophobicContact CD2-CD1 4.37Å; F227-L524 HydrophobicContact CD2-CD2 3.43Å; F227-L524 VanDerWaalsContact CD2-CD2 3.43Å; F227-L524 HydrophobicContact CE2-CD1 4.1Å; F227-L524 HydrophobicContact CE2-CD2 4.01Å; F227-L524 HydrophobicContact CG-CD2 3.74Å; L520-L524 WeakPolarHBondContact O-CB 3.4Å; L520-L524 PolarHBondContact O-N 3.3Å; L524-R528 PolarHBondContact O-N 2.92Å; L524-R528 VanDerWaalsContact O-N 3.15Å
525	F	94.1	Very high	84.5	Confident	41 Å²	41	35 Å²	35	18%	0.18	16%	0.159	C	C	.	.	H	α-helix	trans	-68.9	-41.9	178.9	-173.4	-95.3	0	0	0	112.6	Y220 I223 F298 L300 G521 A522 I523 T527 R528	Y220-F525 HydrophobicContact CD1-CB 4.16Å; Y220-F525 HydrophobicContact CE1-CB 3.83Å; Y220-F525 AromaticContact CE1-CD1 3.73Å; Y220-F525 HydrophobicContact CE1-CD1 3.73Å; Y220-F525 AromaticContact CE1-CG 3.87Å; Y220-F525 HydrophobicContact CE1-CG 3.87Å; I223-F525 HydrophobicContact CD1-CB 4.2Å; I223-F525 HydrophobicContact CD1-CD2 4Å; I223-F525 HydrophobicContact CD1-CG 4.44Å; F298-F525 HydrophobicContact CB-CE2 4.11Å; F298-F525 HydrophobicContact CD2-CE2 4.21Å; F298-F525 HydrophobicContact CG-CE2 4.35Å; L300-F525 HydrophobicContact CD2-CD2 3.91Å; G521-F525 VanDerWaalsContact O-CB 3.24Å; G521-F525 WeakPolarHBondContact O-CB 3.42Å; G521-F525 PolarHBondContact O-N 2.85Å; A522-F525 PolarHBondContact O-N 3.03Å; I523-F525 VanDerWaalsContact C-N 3.32Å; I523-F525 PolarHBondContact O-N 3.39Å; F525-T527 VanDerWaalsContact C-N 3.33Å; F525-R528 WeakPolarHBondContact O-CD 3.27Å; F525-R528 WeakPolarHBondContact O-CG 3.38Å; F525-R528 PolarHBondContact O-NH1 3.01Å
526	K	92.8	Very high	84.2	Confident	56 Å²	56	37.3 Å²	37.3	24%	0.243	17%	0.169	C	C	.	.	H	α-helix	trans	-70.7	-29.2	-179.2	-67.5	-89.6	-173.7	177.3	0	111.9	Y170 E210 A522 I523	Y170-K526 HydrophobicContact CD1-CD 4.2Å; Y170-K526 HydrophobicContact CD1-CG 4.49Å; Y170-K526 HydrophobicContact CE1-CB 4.12Å; Y170-K526 HydrophobicContact CE1-CD 3.85Å; Y170-K526 HydrophobicContact CE1-CG 4.18Å; Y170-K526 HydrophobicContact CE2-CB 4.05Å; E210-K526 WeakPolarHBondContact OE1-CE 3.35Å; E210-K526 IonicContact OE1-NZ 3.63Å; E210-K526 PolarHBondContact OE1-NZ 3.22Å; E210-K526 IonicContact OE2-NZ 3.5Å; A522-K526 VanDerWaalsContact O-CB 3.28Å; A522-K526 WeakPolarHBondContact O-CB 3.43Å; A522-K526 WeakPolarHBondContact O-CG 3.15Å; A522-K526 PolarHBondContact O-N 3.3Å; I523-K526 PolarHBondContact O-N 3.25Å
527	T	91.1	Very high	83.6	Confident	5 Å²	5	43.4 Å²	43.4	3%	0.031	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	5.6	179.8	65	0	0	0	0	114.4	W102 L113 I523 F525 F529 L530	W102-T527 HydrophobicContact CH2-CG2 4.14Å; W102-T527 HydrophobicContact CZ2-CG2 4.35Å; L113-T527 WeakPolarHBondContact CD1-O 3.42Å; L113-T527 WeakPolarHBondContact CD1-OG1 3.28Å; I523-T527 HydrophobicContact CD1-CG2 3.73Å; I523-T527 HydrophobicContact CG1-CG2 4.08Å; I523-T527 WeakPolarHBondContact O-CB 3.41Å; I523-T527 WeakPolarHBondContact O-CG2 3.19Å; I523-T527 PolarHBondContact O-N 2.99Å; I523-T527 PolarHBondContact O-OG1 3.43Å; F525-T527 VanDerWaalsContact C-N 3.33Å; T527-F529 PolarHBondContact O-N 3.41Å; T527-L530 HydrophobicContact CG2-CD1 3.97Å; T527-L530 WeakPolarHBondContact O-CB 3.42Å; T527-L530 WeakPolarHBondContact O-CG 3.46Å; T527-L530 PolarHBondContact O-N 3.41Å
528	R	86.9	Confident	82.5	Confident	61 Å²	61	50.8 Å²	50.8	23%	0.23	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-20.8	-175.6	76	-176.3	-177.7	-79	3.4	115.8	C302 L524 F525 P531	C302-R528 WeakPolarHBondContact CB-O 3.19Å; L524-R528 PolarHBondContact O-N 2.92Å; L524-R528 VanDerWaalsContact O-N 3.15Å; F525-R528 WeakPolarHBondContact O-CD 3.27Å; F525-R528 WeakPolarHBondContact O-CG 3.38Å; F525-R528 PolarHBondContact O-NH1 3.01Å; R528-P531 WeakPolarHBondContact O-CD 3.24Å
529	F	85.9	Confident	80.7	Confident	88 Å²	88	54.5 Å²	54.5	39%	0.386	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-7.6	178.2	-62.8	-58	0	0	0	114.1	T527 P531 L532	T527-F529 PolarHBondContact O-N 3.41Å; F529-P531 VanDerWaalsContact C-CD 3.45Å; F529-P531 VanDerWaalsContact C-N 3.35Å; F529-L532 HydrophobicContact CB-CD1 4.26Å; F529-L532 HydrophobicContact CD1-CD1 3.86Å; F529-L532 HydrophobicContact CG-CD1 4.49Å; F529-L532 VanDerWaalsContact O-CB 3.29Å; F529-L532 WeakPolarHBondContact O-CB 3.25Å; F529-L532 PolarHBondContact O-N 3.41Å; F529-L532 VanDerWaalsContact O-N 3.1Å
530	L	83.9	Confident	78.5	Confident	49 Å²	49	59.8 Å²	59.8	26%	0.257	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-39.4	176.4	-65.2	-177	0	0	0	113.3	W102 L113 T527 L532 R533	W102-L530 HydrophobicContact CZ2-CD1 3.69Å; L113-L530 HydrophobicContact CD1-CB 4.27Å; L113-L530 HydrophobicContact CD1-CD1 4.44Å; T527-L530 HydrophobicContact CG2-CD1 3.97Å; T527-L530 WeakPolarHBondContact O-CB 3.42Å; T527-L530 WeakPolarHBondContact O-CG 3.46Å; T527-L530 PolarHBondContact O-N 3.41Å; L530-L532 PolarHBondContact O-N 3.49Å; L530-R533 WeakPolarHBondContact O-CB 3.3Å; L530-R533 PolarHBondContact O-N 2.95Å
531	P	80.4	Confident	76.4	Confident	4 Å²	4	69.3 Å²	69.3	3%	0.026	32%	0.322	C	S	.	.	H	α-helix	trans	-54.8	-26.1	174.7	-28.9	37	0	0	0	114.4	H105 L113 C302 R528 F529 R533 D534 L535	H105-P531 HydrophobicContact CB-CB 4.36Å; L113-P531 HydrophobicContact CD1-CG 4.47Å; L113-P531 HydrophobicContact CD2-CG 3.76Å; L113-P531 HydrophobicContact CG-CG 3.8Å; C302-P531 HydrophobicContact CB-CB 4.25Å; R528-P531 WeakPolarHBondContact O-CD 3.24Å; F529-P531 VanDerWaalsContact C-CD 3.45Å; F529-P531 VanDerWaalsContact C-N 3.35Å; P531-R533 PolarHBondContact O-N 3.13Å; P531-D534 PolarHBondContact O-N 2.87Å; P531-D534 VanDerWaalsContact O-N 3.13Å; P531-L535 HydrophobicContact CB-CD1 4.19Å; P531-L535 WeakPolarHBondContact O-CB 3.4Å; P531-L535 VanDerWaalsContact O-CG 3.27Å; P531-L535 WeakPolarHBondContact O-CG 3.47Å; P531-L535 PolarHBondContact O-N 2.85Å
532	L	75.8	Confident	74	Confident	42 Å²	42	77 Å²	77	22%	0.22	36%	0.358	C	S	.	.	H	α-helix	trans	-61.5	-29.1	176.5	-66	177.2	0	0	0	112.2	C302 F529 L530 D534 Q536	C302-L532 HydrophobicContact CB-CD2 3.99Å; C302-L532 HydrophobicContact CB-CG 4.08Å; F529-L532 HydrophobicContact CB-CD1 4.26Å; F529-L532 HydrophobicContact CD1-CD1 3.86Å; F529-L532 HydrophobicContact CG-CD1 4.49Å; F529-L532 VanDerWaalsContact O-CB 3.29Å; F529-L532 WeakPolarHBondContact O-CB 3.25Å; F529-L532 PolarHBondContact O-N 3.41Å; F529-L532 VanDerWaalsContact O-N 3.1Å; L530-L532 PolarHBondContact O-N 3.49Å; L532-D534 VanDerWaalsContact C-N 3.3Å; L532-D534 PolarHBondContact O-N 3.24Å; L532-Q536 HydrophobicContact CD2-CG 4.41Å; L532-Q536 WeakPolarHBondContact O-CA 3.23Å; L532-Q536 WeakPolarHBondContact O-CB 3.49Å; L532-Q536 PolarHBondContact O-N 3.49Å
533	R	75.6	Confident	71.4	Confident	179 Å²	179	80.2 Å²	80.2	68%	0.675	39%	0.391	S	S	*	.	H	α-helix	trans	-62	-42.2	175.8	-65.5	-178.2	178.2	-180	0.1	111.3	L530 P531 Q537	L530-R533 WeakPolarHBondContact O-CB 3.3Å; L530-R533 PolarHBondContact O-N 2.95Å; P531-R533 PolarHBondContact O-N 3.13Å; R533-Q537 WeakPolarHBondContact O-CB 3.33Å; R533-Q537 PolarHBondContact O-N 2.7Å
534	D	72.6	Confident	68.9	Low	76 Å²	76	87.6 Å²	87.6	41%	0.406	43%	0.425	S	S	.	.	H	α-helix	trans	-77.9	-41.1	-179.3	-57.6	-35.2	0	0	0	111.1	H105 P531 L532	H105-D534 HydrophobicContact CB-CB 4.49Å; H105-D534 WeakPolarHBondContact CB-OD2 3.4Å; H105-D534 PolarHBondContact N-OD2 2.77Å; P531-D534 PolarHBondContact O-N 2.87Å; P531-D534 VanDerWaalsContact O-N 3.13Å; L532-D534 VanDerWaalsContact C-N 3.3Å; L532-D534 PolarHBondContact O-N 3.24Å
535	L	69.5	Low	66.6	Low	48 Å²	48	92.8 Å²	92.8	25%	0.251	46%	0.459	S	S	.	.	H	α-helix	trans	-72.9	-40.9	-178.5	-68.2	169.6	0	0	0	113.1	G107 P109 C302 P531	G107-L535 VanDerWaalsContact C-CD2 3.42Å; G107-L535 WeakPolarHBondContact O-CD2 3.47Å; P109-L535 HydrophobicContact CB-CD1 4.33Å; C302-L535 VanDerWaalsContact SG-CD1 3.52Å; P531-L535 HydrophobicContact CB-CD1 4.19Å; P531-L535 WeakPolarHBondContact O-CB 3.4Å; P531-L535 VanDerWaalsContact O-CG 3.27Å; P531-L535 WeakPolarHBondContact O-CG 3.47Å; P531-L535 PolarHBondContact O-N 2.85Å
536	Q	62.4	Low	64.2	Low	71 Å²	71	93.4 Å²	93.4	33%	0.332	48%	0.477	S	S	.	.	S	Bend	trans	-93.1	6	-178.2	-62.2	179.9	-34.5	0	0	112.2	L532 E538 S539 L540	L532-Q536 HydrophobicContact CD2-CG 4.41Å; L532-Q536 WeakPolarHBondContact O-CA 3.23Å; L532-Q536 WeakPolarHBondContact O-CB 3.49Å; L532-Q536 PolarHBondContact O-N 3.49Å; Q536-E538 PolarHBondContact O-N 2.81Å; Q536-S539 CarbonylContact O-C 3.55Å; Q536-S539 PolarHBondContact O-N 3Å; Q536-L540 HydrophobicContact CB-CB 4.41Å; Q536-L540 HydrophobicContact CB-CD1 3.81Å; Q536-L540 HydrophobicContact CB-CG 4.01Å; Q536-L540 WeakPolarHBondContact O-CB 3.35Å; Q536-L540 PolarHBondContact O-N 3.34Å
537	Q	56.5	Low	62	Low	137 Å²	137	102.5 Å²	102.5	64%	0.64	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-23.4	175.9	-161.7	160.5	-13.1	0	0	112.4	R533	R533-Q537 WeakPolarHBondContact O-CB 3.33Å; R533-Q537 PolarHBondContact O-N 2.7Å
538	E	52.2	Low	60.2	Low	182 Å²	182	108.9 Å²	108.9	85%	0.85	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-30.8	169.2	-66.1	-170.3	155.7	0	0	114.2	Q536	Q536-E538 PolarHBondContact O-N 2.81Å
539	S	52.1	Low	58.5	Low	87 Å²	87	112.8 Å²	112.8	61%	0.608	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	-27.5	-178	109.4	0	0	0	0	114.4	Q536	Q536-S539 CarbonylContact O-C 3.55Å; Q536-S539 PolarHBondContact O-N 3Å
540	L	46.6	Very low	56.5	Low	112 Å²	112	114.2 Å²	114.2	59%	0.586	58%	0.576	S	S	*	*			trans	-99.7	11.8	177.5	-78.7	171.1	0	0	0	112.1	Q536 Q542	Q536-L540 HydrophobicContact CB-CB 4.41Å; Q536-L540 HydrophobicContact CB-CD1 3.81Å; Q536-L540 HydrophobicContact CB-CG 4.01Å; Q536-L540 WeakPolarHBondContact O-CB 3.35Å; Q536-L540 PolarHBondContact O-N 3.34Å; L540-Q542 PolarHBondContact O-N 2.83Å
541	R	47.3	Very low	54.8	Low	209 Å²	209	115.7 Å²	115.7	79%	0.789	59%	0.591	S	S	*	*	S	Bend	trans	-54.5	93.7	146.5	-90.5	-175.2	177.4	171.9	2.3	105	G543	R541-G543 VanDerWaalsContact C-N 3.34Å; R541-G543 PolarHBondContact O-N 2.67Å
542	Q	44.6	Very low	53.3	Low	162 Å²	162	120.1 Å²	120.1	76%	0.757	61%	0.61	S	S	*	*			trans	-41.9	113.2	164.7	-81.2	179.3	-16.7	0	0	103.5	L540 H544	L540-Q542 PolarHBondContact O-N 2.83Å; Q542-H544 PolarHBondContact O-N 2.68Å
543	G	40.8	Very low	52.1	Low	68 Å²	68	123 Å²	123	70%	0.701	63%	0.629	S	S	*	*			trans	-56.3	95.4	158.7	0	0	0	0	0	102.9	R541 P545	R541-G543 VanDerWaalsContact C-N 3.34Å; R541-G543 PolarHBondContact O-N 2.67Å; G543-P545 WeakPolarHBondContact O-CD 3.36Å
544	H	43.5	Very low	51.1	Low	156 Å²	156	124 Å²	124	72%	0.722	63%	0.634	S	S	*	*			trans	-43.1	118.8	153.6	-77.8	-56.5	0	0	0	102.3	Q542 G546	Q542-H544 PolarHBondContact O-N 2.68Å; H544-G546 PolarHBondContact O-N 2.72Å
545	P	43.8	Very low	50.2	Low	115 Å²	115	124.5 Å²	124.5	75%	0.747	64%	0.637	S	S	*	*			trans	-56.3	105.1	176.3	21.9	-29	0	0	0	102.6	G543 W547	G543-P545 WeakPolarHBondContact O-CD 3.36Å; P545-W547 PolarHBondContact O-N 2.63Å
546	G	43.4	Very low	49.9	Very low	55 Å²	55	127.5 Å²	127.5	57%	0.567	65%	0.649	S	S	*	*			trans	-60.7	105	-179.4	0	0	0	0	0	101.5	H544 L548	H544-G546 PolarHBondContact O-N 2.72Å; G546-L548 CarbonylContact O-C 3.6Å; G546-L548 PolarHBondContact O-N 2.73Å
547	W	47.6	Very low	50.2	Low	247 Å²	247	130.6 Å²	130.6	94%	0.936	66%	0.663	S	S	*	*	S	Bend	trans	-71.2	29.1	175.5	-147.5	73.2	0	0	0	110	P545	P545-W547 PolarHBondContact O-N 2.63Å
548	L	51.8	Low	50.9	Low	138 Å²	138	128.8 Å²	128.8	72%	0.723	66%	0.658	S	S	*	*	S	Bend	trans	-164.1	93.8	-174.4	-60.4	172.5	0	0	0	103.3	G546	G546-L548 CarbonylContact O-C 3.6Å; G546-L548 PolarHBondContact O-N 2.73Å
549	R	51.6	Low	51.9	Low	143 Å²	143	126.7 Å²	126.7	54%	0.54	65%	0.646	S	S	.	*			cis	-178.8	153	35	-87.8	141.5	174	-154.9	-3.2	108.4	F552	R549-F552 HydrophobicContact CB-CB 4.34Å; R549-F552 HydrophobicContact CG-CB 3.68Å; R549-F552 VanDerWaalsContact CZ-CB 3.4Å; R549-F552 VanDerWaalsContact NE-CB 3.34Å; R549-F552 VanDerWaalsContact NH1-CE1 3.28Å
550	P	44.2	Very low	53	Low	119 Å²	119	125.3 Å²	125.3	77%	0.773	64%	0.636	S	S	*	*	S	Bend		-120.4	7.5	118.9	28.9	-19.7	0	0	0	112.8
551	S	48.9	Very low	54.6	Low	79 Å²	79	125.1 Å²	125.1	55%	0.552	64%	0.635	S	S	*	*	H	α-helix	trans	-82.1	-7.4	-179.3	-61.6	0	0	0	0	115.2	N555	S551-N555 WeakPolarHBondContact O-CB 3.08Å; S551-N555 PolarHBondContact O-N 2.72Å; S551-N555 PolarHBondContact O-ND2 3.49Å
552	F	48.1	Very low	56.2	Low	97 Å²	97	118.4 Å²	118.4	43%	0.425	62%	0.62	S	S	.	*	H	α-helix	trans	-91.4	-32.6	-175	-162.2	-106.4	0	0	0	114.9	R549 N555 H556	R549-F552 HydrophobicContact CB-CB 4.34Å; R549-F552 HydrophobicContact CG-CB 3.68Å; R549-F552 VanDerWaalsContact CZ-CB 3.4Å; R549-F552 VanDerWaalsContact NE-CB 3.34Å; R549-F552 VanDerWaalsContact NH1-CE1 3.28Å; F552-N555 PolarHBondContact O-N 3.44Å; F552-H556 PolarHBondContact O-N 3.21Å
553	V	51.6	Low	58.1	Low	104 Å²	104	115.5 Å²	115.5	63%	0.63	61%	0.609	S	S	*	*	H	α-helix	trans	-70.9	-39.5	177.1	-175.3	0	0	0	0	109.7	H556 H557	V553-H556 PolarHBondContact O-N 2.99Å; V553-H557 PolarHBondContact O-CD2 3.39Å
554	Y	53.4	Low	60.2	Low	199 Å²	199	117.4 Å²	117.4	78%	0.78	60%	0.602	S	S	*	*	H	α-helix	trans	-67.5	-36	172	-108.9	-87.4	0	0	0	113	L558	Y554-L558 WeakPolarHBondContact O-CB 3.26Å; Y554-L558 PolarHBondContact O-N 3.26Å
555	N	55.3	Low	62.4	Low	86 Å²	86	114 Å²	114	46%	0.46	59%	0.592	S	S	.	*	H	α-helix	trans	-71.1	-28.9	176.2	-92.5	-54.2	0	0	0	113.6	S551 F552 L558 F559	S551-N555 WeakPolarHBondContact O-CB 3.08Å; S551-N555 PolarHBondContact O-N 2.72Å; S551-N555 PolarHBondContact O-ND2 3.49Å; F552-N555 PolarHBondContact O-N 3.44Å; N555-L558 PolarHBondContact O-N 2.96Å; N555-F559 WeakPolarHBondContact O-CB 3.2Å; N555-F559 PolarHBondContact O-N 3.47Å
556	H	62.8	Low	64.5	Low	111 Å²	111	112.5 Å²	112.5	51%	0.514	58%	0.581	S	S	.	*	H	α-helix	trans	-71	-37.7	-179.5	-148.7	59.4	0	0	0	112.1	F552 V553 S560	F552-H556 PolarHBondContact O-N 3.21Å; V553-H556 PolarHBondContact O-N 2.99Å; H556-S560 VanDerWaalsContact O-CB 3.26Å; H556-S560 WeakPolarHBondContact O-CB 3.45Å; H556-S560 PolarHBondContact O-N 2.92Å; H556-S560 PolarHBondContact O-OG 3.32Å
557	H	67.4	Low	66.6	Low	136 Å²	136	113.3 Å²	113.3	63%	0.63	57%	0.574	S	S	*	*	H	α-helix	trans	-70.4	-40.5	173.5	-65.4	-62.1	0	0	0	112	V553 S560 L561	V553-H557 PolarHBondContact O-CD2 3.39Å; H557-S560 PolarHBondContact O-N 3.18Å; H557-L561 VanDerWaalsContact O-CB 3.3Å; H557-L561 WeakPolarHBondContact O-CB 3.3Å; H557-L561 PolarHBondContact O-N 2.8Å
558	L	72.8	Confident	68.5	Low	99 Å²	99	105.7 Å²	105.7	52%	0.518	55%	0.552	S	S	.	*	H	α-helix	trans	-65.3	-44	175.8	-165.6	77.9	0	0	0	111.7	Y554 N555 L561 C562	Y554-L558 WeakPolarHBondContact O-CB 3.26Å; Y554-L558 PolarHBondContact O-N 3.26Å; N555-L558 PolarHBondContact O-N 2.96Å; L558-L561 PolarHBondContact O-N 3.48Å; L558-C562 WeakPolarHBondContact O-CB 3.33Å; L558-C562 PolarHBondContact O-N 2.93Å; L558-C562 PolarHBondContact O-SG 3.5Å; L558-C562 VanDerWaalsContact O-SG 3.35Å
559	F	72.3	Confident	70.3	Confident	139 Å²	139	101.8 Å²	101.8	61%	0.61	54%	0.54	S	S	*	.	H	α-helix	trans	-64.9	-41.2	177.3	-170.7	-95.2	0	0	0	111.7	N555 C562 L563	N555-F559 WeakPolarHBondContact O-CB 3.2Å; N555-F559 PolarHBondContact O-N 3.47Å; F559-C562 PolarHBondContact O-N 2.79Å; F559-L563 WeakPolarHBondContact O-CB 3.48Å; F559-L563 PolarHBondContact O-N 2.88Å
560	S	74.5	Confident	72	Confident	58 Å²	58	99.3 Å²	99.3	41%	0.406	54%	0.536	S	S	.	.	H	α-helix	trans	-64.9	-39.1	174.8	-59.4	0	0	0	0	112	H556 H557 L564	H556-S560 VanDerWaalsContact O-CB 3.26Å; H556-S560 WeakPolarHBondContact O-CB 3.45Å; H556-S560 PolarHBondContact O-N 2.92Å; H556-S560 PolarHBondContact O-OG 3.32Å; H557-S560 PolarHBondContact O-N 3.18Å; S560-L564 WeakPolarHBondContact O-CB 3.39Å; S560-L564 PolarHBondContact O-N 3.26Å
561	L	80.7	Confident	74	Confident	107 Å²	107	97.9 Å²	97.9	56%	0.56	52%	0.521	S	S	*	.	H	α-helix	trans	-65.9	-46	175.3	-169.2	79.9	0	0	0	111.3	H557 L558 L563 L564 V565	H557-L561 VanDerWaalsContact O-CB 3.3Å; H557-L561 WeakPolarHBondContact O-CB 3.3Å; H557-L561 PolarHBondContact O-N 2.8Å; L558-L561 PolarHBondContact O-N 3.48Å; L561-L563 PolarHBondContact O-N 3.42Å; L561-L564 PolarHBondContact O-N 2.99Å; L561-V565 WeakPolarHBondContact O-CG2 3.29Å; L561-V565 PolarHBondContact O-N 2.85Å
562	C	80.9	Confident	75.9	Confident	68 Å²	68	99.6 Å²	99.6	46%	0.459	52%	0.524	S	S	.	.	H	α-helix	trans	-62	-42.6	176.2	-74.3	0	0	0	0	111.9	L558 F559 L564 V565 V566	L558-C562 WeakPolarHBondContact O-CB 3.33Å; L558-C562 PolarHBondContact O-N 2.93Å; L558-C562 PolarHBondContact O-SG 3.5Å; L558-C562 VanDerWaalsContact O-SG 3.35Å; F559-C562 PolarHBondContact O-N 2.79Å; C562-L564 VanDerWaalsContact C-N 3.33Å; C562-L564 PolarHBondContact O-N 3.47Å; C562-V565 PolarHBondContact O-N 3.3Å; C562-V566 WeakPolarHBondContact O-CG2 3.33Å; C562-V566 PolarHBondContact O-N 3.45Å
563	L	84.3	Confident	77.8	Confident	102 Å²	102	101.8 Å²	101.8	53%	0.534	53%	0.53	S	S	.	.	H	α-helix	trans	-60.8	-44	175.4	-168.9	81.2	0	0	0	111	F559 L561 V565 V566 V567	F559-L563 WeakPolarHBondContact O-CB 3.48Å; F559-L563 PolarHBondContact O-N 2.88Å; L561-L563 PolarHBondContact O-N 3.42Å; L563-V565 PolarHBondContact O-N 2.98Å; L563-V566 PolarHBondContact O-N 3.35Å; L563-V567 VanDerWaalsContact O-CG2 3.29Å; L563-V567 WeakPolarHBondContact O-CG2 3.42Å; L563-V567 PolarHBondContact O-N 2.94Å
564	L	85.3	Confident	79.5	Confident	107 Å²	107	100.7 Å²	100.7	56%	0.56	52%	0.52	S	S	*	.	H	α-helix	trans	-63.3	-41.3	178.8	-166.3	117.9	0	0	0	112	S560 L561 C562 V567 L568	S560-L564 WeakPolarHBondContact O-CB 3.39Å; S560-L564 PolarHBondContact O-N 3.26Å; L561-L564 PolarHBondContact O-N 2.99Å; C562-L564 VanDerWaalsContact C-N 3.33Å; C562-L564 PolarHBondContact O-N 3.47Å; L564-V567 PolarHBondContact O-N 2.89Å; L564-L568 HydrophobicContact CD2-CD1 3.73Å; L564-L568 HydrophobicContact CG-CD1 4.23Å; L564-L568 WeakPolarHBondContact O-CB 3.36Å; L564-L568 WeakPolarHBondContact O-CG 3.34Å; L564-L568 PolarHBondContact O-N 3.35Å
565	V	89	Confident	80.9	Confident	85 Å²	85	95.7 Å²	95.7	52%	0.515	51%	0.506	S	S	.	.	H	α-helix	trans	-63.9	-43.4	175.9	172	0	0	0	0	111.4	L561 C562 L563 L568 A569	L561-V565 WeakPolarHBondContact O-CG2 3.29Å; L561-V565 PolarHBondContact O-N 2.85Å; C562-V565 PolarHBondContact O-N 3.3Å; L563-V565 PolarHBondContact O-N 2.98Å; V565-L568 PolarHBondContact O-N 3.48Å; V565-A569 WeakPolarHBondContact O-CB 3.43Å; V565-A569 PolarHBondContact O-N 2.9Å
566	V	89.6	Confident	82.3	Confident	83 Å²	83	99.6 Å²	99.6	50%	0.503	51%	0.514	S	S	.	.	H	α-helix	trans	-64.8	-43.7	178	171.9	0	0	0	0	111	C562 L563 L568 A569 I570	C562-V566 WeakPolarHBondContact O-CG2 3.33Å; C562-V566 PolarHBondContact O-N 3.45Å; L563-V566 PolarHBondContact O-N 3.35Å; V566-L568 PolarHBondContact O-N 3.39Å; V566-A569 PolarHBondContact O-N 3Å; V566-I570 HydrophobicContact CG1-CD1 3.81Å; V566-I570 HydrophobicContact CG1-CG1 4.46Å; V566-I570 VanDerWaalsContact O-CG1 3.28Å; V566-I570 WeakPolarHBondContact O-CG1 3.39Å; V566-I570 PolarHBondContact O-N 3.26Å
567	V	86.6	Confident	83.1	Confident	72 Å²	72	98.1 Å²	98.1	44%	0.436	51%	0.51	S	S	.	.	H	α-helix	trans	-63.6	-41.7	177.2	171.4	0	0	0	0	111.3	L563 L564 I570 L571	L563-V567 VanDerWaalsContact O-CG2 3.29Å; L563-V567 WeakPolarHBondContact O-CG2 3.42Å; L563-V567 PolarHBondContact O-N 2.94Å; L564-V567 PolarHBondContact O-N 2.89Å; V567-I570 PolarHBondContact O-N 2.86Å; V567-L571 HydrophobicContact CG1-CD1 3.97Å; V567-L571 WeakPolarHBondContact O-CB 3.28Å; V567-L571 WeakPolarHBondContact O-CG 3.48Å; V567-L571 PolarHBondContact O-N 3.36Å
568	L	88.3	Confident	83.7	Confident	88 Å²	88	99.8 Å²	99.8	46%	0.461	51%	0.511	S	S	.	.	H	α-helix	trans	-63.6	-41.3	174.5	-84.4	161	0	0	0	112.1	L564 V565 V566 L571 L572	L564-L568 HydrophobicContact CD2-CD1 3.73Å; L564-L568 HydrophobicContact CG-CD1 4.23Å; L564-L568 WeakPolarHBondContact O-CB 3.36Å; L564-L568 WeakPolarHBondContact O-CG 3.34Å; L564-L568 PolarHBondContact O-N 3.35Å; V565-L568 PolarHBondContact O-N 3.48Å; V566-L568 PolarHBondContact O-N 3.39Å; L568-L571 PolarHBondContact O-N 3.37Å; L568-L572 WeakPolarHBondContact O-CB 3.42Å; L568-L572 VanDerWaalsContact O-CG 3.26Å; L568-L572 WeakPolarHBondContact O-CG 3.26Å; L568-L572 PolarHBondContact O-N 2.88Å
569	A	88.3	Confident	83.9	Confident	56 Å²	56	103.8 Å²	103.8	46%	0.463	52%	0.519	S	S	.	.	H	α-helix	trans	-64	-41.9	176.2	0	0	0	0	0	111.8	V565 V566 L572 Y573	V565-A569 WeakPolarHBondContact O-CB 3.43Å; V565-A569 PolarHBondContact O-N 2.9Å; V566-A569 PolarHBondContact O-N 3Å; A569-L572 PolarHBondContact O-N 3.47Å; A569-Y573 VanDerWaalsContact O-CB 3.24Å; A569-Y573 WeakPolarHBondContact O-CB 3.38Å; A569-Y573 PolarHBondContact O-N 2.83Å
570	I	88.2	Confident	84.1	Confident	90 Å²	90	100.6 Å²	100.6	46%	0.462	51%	0.507	S	S	.	.	H	α-helix	trans	-63.5	-45.2	174.8	-68.6	167	0	0	0	110.5	V566 V567 L572 Y573 I574	V566-I570 HydrophobicContact CG1-CD1 3.81Å; V566-I570 HydrophobicContact CG1-CG1 4.46Å; V566-I570 VanDerWaalsContact O-CG1 3.28Å; V566-I570 WeakPolarHBondContact O-CG1 3.39Å; V566-I570 PolarHBondContact O-N 3.26Å; V567-I570 PolarHBondContact O-N 2.86Å; I570-L572 PolarHBondContact O-N 2.84Å; I570-Y573 PolarHBondContact O-N 3.47Å; I570-I574 HydrophobicContact CG2-CD1 3.72Å; I570-I574 HydrophobicContact CG2-CG1 4.35Å; I570-I574 WeakPolarHBondContact O-CB 3.21Å; I570-I574 VanDerWaalsContact O-CG1 3.28Å; I570-I574 WeakPolarHBondContact O-CG1 3.34Å; I570-I574 PolarHBondContact O-N 2.85Å
571	L	86.6	Confident	84.1	Confident	89 Å²	89	103.2 Å²	103.2	47%	0.466	51%	0.513	S	S	.	.	H	α-helix	trans	-61.8	-45.1	177.1	-81.4	165.2	0	0	0	111.8	V567 L568 Y573 I574 L575	V567-L571 HydrophobicContact CG1-CD1 3.97Å; V567-L571 WeakPolarHBondContact O-CB 3.28Å; V567-L571 WeakPolarHBondContact O-CG 3.48Å; V567-L571 PolarHBondContact O-N 3.36Å; L568-L571 PolarHBondContact O-N 3.37Å; L571-Y573 VanDerWaalsContact C-N 3.31Å; L571-Y573 PolarHBondContact O-N 3.24Å; L571-I574 PolarHBondContact O-N 2.84Å; L571-L575 WeakPolarHBondContact O-CB 3.25Å; L571-L575 WeakPolarHBondContact O-CG 3.24Å; L571-L575 PolarHBondContact O-N 2.86Å
572	L	88.4	Confident	83.6	Confident	116 Å²	116	103 Å²	103	61%	0.607	51%	0.509	S	S	*	.	H	α-helix	trans	-64.2	-37.4	175.8	-72.1	172.8	0	0	0	111.8	L568 A569 I570 L575 R576	L568-L572 WeakPolarHBondContact O-CB 3.42Å; L568-L572 VanDerWaalsContact O-CG 3.26Å; L568-L572 WeakPolarHBondContact O-CG 3.26Å; L568-L572 PolarHBondContact O-N 2.88Å; A569-L572 PolarHBondContact O-N 3.47Å; I570-L572 PolarHBondContact O-N 2.84Å; L572-L575 PolarHBondContact O-N 3.44Å; L572-R576 VanDerWaalsContact O-CB 3.25Å; L572-R576 WeakPolarHBondContact O-CB 3.28Å; L572-R576 PolarHBondContact O-N 3.36Å
573	Y	88.3	Confident	83	Confident	142 Å²	142	108.4 Å²	108.4	56%	0.557	52%	0.52	S	S	*	.	H	α-helix	trans	-66	-44.4	175.3	-177.5	-106.9	0	0	0	111.9	A569 I570 L571 R576 L577	A569-Y573 VanDerWaalsContact O-CB 3.24Å; A569-Y573 WeakPolarHBondContact O-CB 3.38Å; A569-Y573 PolarHBondContact O-N 2.83Å; I570-Y573 PolarHBondContact O-N 3.47Å; L571-Y573 VanDerWaalsContact C-N 3.31Å; L571-Y573 PolarHBondContact O-N 3.24Å; Y573-R576 PolarHBondContact O-N 3.19Å; Y573-L577 HydrophobicContact CD1-CD1 3.72Å; Y573-L577 HydrophobicContact CE1-CD1 3.26Å; Y573-L577 HydrophobicContact CE1-CG 4.17Å; Y573-L577 HydrophobicContact CE2-CD1 4.47Å; Y573-L577 HydrophobicContact CG-CD1 4.49Å; Y573-L577 WeakPolarHBondContact O-CB 3.26Å; Y573-L577 PolarHBondContact O-N 2.81Å
574	I	85.9	Confident	82.2	Confident	81 Å²	81	108.5 Å²	108.5	42%	0.415	52%	0.518	S	S	.	.	H	α-helix	trans	-65	-41	175.2	-68.2	169.6	0	0	0	110.9	I570 L571 R576 L577 R578	I570-I574 HydrophobicContact CG2-CD1 3.72Å; I570-I574 HydrophobicContact CG2-CG1 4.35Å; I570-I574 WeakPolarHBondContact O-CB 3.21Å; I570-I574 VanDerWaalsContact O-CG1 3.28Å; I570-I574 WeakPolarHBondContact O-CG1 3.34Å; I570-I574 PolarHBondContact O-N 2.85Å; L571-I574 PolarHBondContact O-N 2.84Å; I574-R576 VanDerWaalsContact C-N 3.32Å; I574-R576 PolarHBondContact O-N 3.5Å; I574-L577 PolarHBondContact O-N 3.44Å; I574-R578 WeakPolarHBondContact O-CB 3.3Å; I574-R578 PolarHBondContact O-N 2.85Å
575	L	83.5	Confident	81.2	Confident	95 Å²	95	107.9 Å²	107.9	50%	0.497	51%	0.514	S	S	.	.	H	α-helix	trans	-65.7	-36.6	175.5	-73.3	171.9	0	0	0	111.8	L571 L572 R579	L571-L575 WeakPolarHBondContact O-CB 3.25Å; L571-L575 WeakPolarHBondContact O-CG 3.24Å; L571-L575 PolarHBondContact O-N 2.86Å; L572-L575 PolarHBondContact O-N 3.44Å; L575-R579 PolarHBondContact O-N 3.5Å
576	R	83.9	Confident	80	Confident	167 Å²	167	111 Å²	111	63%	0.63	52%	0.517	S	S	*	.	H	α-helix	trans	-66.8	-45	173.2	-173.4	179.6	179.5	-150.8	-1	111.1	L572 Y573 I574 R579 I580	L572-R576 VanDerWaalsContact O-CB 3.25Å; L572-R576 WeakPolarHBondContact O-CB 3.28Å; L572-R576 PolarHBondContact O-N 3.36Å; Y573-R576 PolarHBondContact O-N 3.19Å; I574-R576 VanDerWaalsContact C-N 3.32Å; I574-R576 PolarHBondContact O-N 3.5Å; R576-R579 PolarHBondContact O-N 2.82Å; R576-I580 HydrophobicContact CG-CD1 4Å; R576-I580 VanDerWaalsContact O-CG1 3.31Å; R576-I580 WeakPolarHBondContact O-CG1 3.26Å; R576-I580 PolarHBondContact O-N 2.94Å
577	L	80.5	Confident	78.8	Confident	80 Å²	80	113.7 Å²	113.7	42%	0.419	52%	0.524	S	S	.	.	H	α-helix	trans	-60.5	-43.3	174	-83.1	168.1	0	0	0	111.6	Y573 I574 R579 I580 H581	Y573-L577 HydrophobicContact CD1-CD1 3.72Å; Y573-L577 HydrophobicContact CE1-CD1 3.26Å; Y573-L577 HydrophobicContact CE1-CG 4.17Å; Y573-L577 HydrophobicContact CE2-CD1 4.47Å; Y573-L577 HydrophobicContact CG-CD1 4.49Å; Y573-L577 WeakPolarHBondContact O-CB 3.26Å; Y573-L577 PolarHBondContact O-N 2.81Å; I574-L577 PolarHBondContact O-N 3.44Å; L577-R579 VanDerWaalsContact C-N 3.34Å; L577-R579 PolarHBondContact O-N 3.27Å; L577-I580 PolarHBondContact O-N 2.8Å; L577-H581 VanDerWaalsContact O-CB 3.3Å; L577-H581 WeakPolarHBondContact O-CB 3.46Å; L577-H581 PolarHBondContact O-N 3.24Å
578	R	79.2	Confident	77.7	Confident	171 Å²	171	114.1 Å²	114.1	65%	0.645	53%	0.527	S	S	*	.	H	α-helix	trans	-61.2	-40.4	173.4	-86.7	-174.2	173.2	-177.2	-1.5	112.2	I574 Q582	I574-R578 WeakPolarHBondContact O-CB 3.3Å; I574-R578 PolarHBondContact O-N 2.85Å; R578-Q582 VanDerWaalsContact O-CB 3.26Å; R578-Q582 WeakPolarHBondContact O-CB 3.36Å; R578-Q582 VanDerWaalsContact O-CG 3.26Å; R578-Q582 WeakPolarHBondContact O-CG 3.39Å; R578-Q582 PolarHBondContact O-N 3.35Å
579	R	77.1	Confident	76.5	Confident	184 Å²	184	116 Å²	116	69%	0.694	53%	0.533	S	S	*	.	H	α-helix	trans	-66.9	-38.3	174.5	-86.1	-173.8	-170.9	170.9	4.2	112.9	L575 R576 L577 R583	L575-R579 PolarHBondContact O-N 3.5Å; R576-R579 PolarHBondContact O-N 2.82Å; L577-R579 VanDerWaalsContact C-N 3.34Å; L577-R579 PolarHBondContact O-N 3.27Å; R579-R583 WeakPolarHBondContact O-CB 3.43Å; R579-R583 VanDerWaalsContact O-CG 3.31Å; R579-R583 WeakPolarHBondContact O-CG 3.49Å; R579-R583 PolarHBondContact O-N 2.85Å
580	I	77.7	Confident	75.3	Confident	71 Å²	71	117.5 Å²	117.5	36%	0.364	54%	0.536	S	S	.	.	H	α-helix	trans	-67.6	-47.1	176.7	-68.7	167.2	0	0	0	109.4	R576 L577 Q582 R583 E584	R576-I580 HydrophobicContact CG-CD1 4Å; R576-I580 VanDerWaalsContact O-CG1 3.31Å; R576-I580 WeakPolarHBondContact O-CG1 3.26Å; R576-I580 PolarHBondContact O-N 2.94Å; L577-I580 PolarHBondContact O-N 2.8Å; I580-Q582 VanDerWaalsContact C-N 3.35Å; I580-Q582 PolarHBondContact O-N 3.44Å; I580-R583 CarbonylContact O-C 3.46Å; I580-R583 WeakPolarHBondContact O-CA 3.31Å; I580-R583 WeakPolarHBondContact O-CB 3.47Å; I580-R583 PolarHBondContact O-N 3.34Å; I580-E584 PolarHBondContact O-N 3.37Å
581	H	73.8	Confident	74	Confident	113 Å²	113	117.8 Å²	117.8	52%	0.523	54%	0.538	S	S	.	.	H	α-helix	trans	-62.4	-39.4	176.7	-167.1	59.6	0	0	0	112.4	L577 R583 E584 L585	L577-H581 VanDerWaalsContact O-CB 3.3Å; L577-H581 WeakPolarHBondContact O-CB 3.46Å; L577-H581 PolarHBondContact O-N 3.24Å; H581-R583 VanDerWaalsContact C-N 3.26Å; H581-R583 PolarHBondContact O-N 3.35Å; H581-E584 PolarHBondContact O-N 2.84Å; H581-L585 WeakPolarHBondContact O-CB 3.31Å; H581-L585 PolarHBondContact O-N 3.38Å
582	Q	69.6	Low	72.8	Confident	104 Å²	104	118.6 Å²	118.6	49%	0.486	54%	0.543	S	S	.	.	H	α-helix	trans	-69.2	-19.5	172.1	-78.2	-177.5	-11.5	0	0	114.1	R578 I580 R586	R578-Q582 VanDerWaalsContact O-CB 3.26Å; R578-Q582 WeakPolarHBondContact O-CB 3.36Å; R578-Q582 VanDerWaalsContact O-CG 3.26Å; R578-Q582 WeakPolarHBondContact O-CG 3.39Å; R578-Q582 PolarHBondContact O-N 3.35Å; I580-Q582 VanDerWaalsContact C-N 3.35Å; I580-Q582 PolarHBondContact O-N 3.44Å; Q582-R586 WeakPolarHBondContact O-CB 3.46Å; Q582-R586 PolarHBondContact O-N 2.96Å; Q582-R586 PolarHBondContact O-NE 2.94Å
583	R	69	Low	71.5	Confident	180 Å²	180	118.6 Å²	118.6	68%	0.679	54%	0.543	S	S	*	.	H	α-helix	trans	-83.9	-39.7	172.1	-80.3	177.6	176.3	-170.1	-2.3	110.9	R579 I580 H581 R586 Q587	R579-R583 WeakPolarHBondContact O-CB 3.43Å; R579-R583 VanDerWaalsContact O-CG 3.31Å; R579-R583 WeakPolarHBondContact O-CG 3.49Å; R579-R583 PolarHBondContact O-N 2.85Å; I580-R583 CarbonylContact O-C 3.46Å; I580-R583 WeakPolarHBondContact O-CA 3.31Å; I580-R583 WeakPolarHBondContact O-CB 3.47Å; I580-R583 PolarHBondContact O-N 3.34Å; H581-R583 VanDerWaalsContact C-N 3.26Å; H581-R583 PolarHBondContact O-N 3.35Å; R583-R586 PolarHBondContact O-N 3.22Å; R583-Q587 PolarHBondContact O-N 3.21Å
584	E	67.9	Low	70.2	Confident	104 Å²	104	116.2 Å²	116.2	49%	0.486	54%	0.539	S	S	.	.	H	α-helix	trans	-64.2	-45.6	172.7	-75.5	179.8	166	0	0	111.3	I580 H581 R586 Q587 V588	I580-E584 PolarHBondContact O-N 3.37Å; H581-E584 PolarHBondContact O-N 2.84Å; E584-R586 VanDerWaalsContact C-N 3.29Å; E584-R586 PolarHBondContact O-N 3.04Å; E584-Q587 CarbonylContact O-C 3.57Å; E584-Q587 PolarHBondContact O-N 3.4Å; E584-V588 VanDerWaalsContact O-CG2 3.26Å; E584-V588 WeakPolarHBondContact O-CG2 3.26Å; E584-V588 PolarHBondContact O-N 2.81Å
585	L	64.2	Low	68.9	Low	94 Å²	94	120.8 Å²	120.8	49%	0.492	55%	0.552	S	S	.	*	H	α-helix	trans	-58	-40.2	173.7	-86.5	156	0	0	0	112.2	H581 V588 E589	H581-L585 WeakPolarHBondContact O-CB 3.31Å; H581-L585 PolarHBondContact O-N 3.38Å; L585-V588 PolarHBondContact O-N 3.45Å; L585-E589 PolarHBondContact O-N 3.46Å
586	R	63.7	Low	67.7	Low	151 Å²	151	119.1 Å²	119.1	57%	0.57	55%	0.551	S	S	*	*	H	α-helix	trans	-70.3	-32.2	174.3	-87.2	-173.3	-93.7	-152.7	-9.9	113.3	Q582 R583 E584 V590	Q582-R586 WeakPolarHBondContact O-CB 3.46Å; Q582-R586 PolarHBondContact O-N 2.96Å; Q582-R586 PolarHBondContact O-NE 2.94Å; R583-R586 PolarHBondContact O-N 3.22Å; E584-R586 VanDerWaalsContact C-N 3.29Å; E584-R586 PolarHBondContact O-N 3.04Å; R586-V590 WeakPolarHBondContact O-CB 3.2Å; R586-V590 WeakPolarHBondContact O-CG2 3.45Å; R586-V590 PolarHBondContact O-N 3.05Å
587	Q	63.9	Low	66.5	Low	139 Å²	139	117.9 Å²	117.9	65%	0.65	55%	0.553	S	S	*	*	H	α-helix	trans	-70.8	-36.3	173.1	-82.3	-177.1	-42.4	0	0	111.8	R583 E584 V590 L591	R583-Q587 PolarHBondContact O-N 3.21Å; E584-Q587 CarbonylContact O-C 3.57Å; E584-Q587 PolarHBondContact O-N 3.4Å; Q587-V590 PolarHBondContact O-N 2.88Å; Q587-L591 WeakPolarHBondContact O-CB 3.37Å; Q587-L591 PolarHBondContact O-N 2.99Å
588	V	63.1	Low	65.3	Low	82 Å²	82	120.6 Å²	120.6	50%	0.497	56%	0.563	S	S	.	*	H	α-helix	trans	-66.9	-43.1	173.8	176.1	0	0	0	0	110.4	E584 L585 V590 L591 D592	E584-V588 VanDerWaalsContact O-CG2 3.26Å; E584-V588 WeakPolarHBondContact O-CG2 3.26Å; E584-V588 PolarHBondContact O-N 2.81Å; L585-V588 PolarHBondContact O-N 3.45Å; V588-V590 PolarHBondContact O-N 3.42Å; V588-L591 PolarHBondContact O-N 2.84Å; V588-D592 PolarHBondContact O-N 3.06Å
589	E	63.7	Low	64.3	Low	128 Å²	128	114.4 Å²	114.4	60%	0.598	55%	0.553	S	S	*	*	H	α-helix	trans	-60.9	-41	173.6	-111.8	175.7	169.1	0	0	112.8	L585 L593	L585-E589 PolarHBondContact O-N 3.46Å; E589-L593 WeakPolarHBondContact O-CB 3.43Å; E589-L593 PolarHBondContact O-N 3.04Å
590	V	63	Low	63.2	Low	86 Å²	86	113.5 Å²	113.5	52%	0.521	56%	0.556	S	S	.	*	H	α-helix	trans	-70	-34.1	176.2	170.2	0	0	0	0	111.6	R586 Q587 V588 L594	R586-V590 WeakPolarHBondContact O-CB 3.2Å; R586-V590 WeakPolarHBondContact O-CG2 3.45Å; R586-V590 PolarHBondContact O-N 3.05Å; Q587-V590 PolarHBondContact O-N 2.88Å; V588-V590 PolarHBondContact O-N 3.42Å; V590-L594 HydrophobicContact CG1-CD1 4.23Å; V590-L594 WeakPolarHBondContact O-CG 3.32Å; V590-L594 PolarHBondContact O-N 2.89Å; V590-L594 VanDerWaalsContact O-N 3.11Å
591	L	61.8	Low	62.1	Low	96 Å²	96	113.8 Å²	113.8	50%	0.503	57%	0.57	S	S	.	*	H	α-helix	trans	-70.2	-46.5	174.9	-155.6	74	0	0	0	110.5	Q587 V588 L593 L594 W595	Q587-L591 WeakPolarHBondContact O-CB 3.37Å; Q587-L591 PolarHBondContact O-N 2.99Å; V588-L591 PolarHBondContact O-N 2.84Å; L591-L593 VanDerWaalsContact C-N 3.25Å; L591-L593 PolarHBondContact O-N 2.92Å; L591-L594 WeakPolarHBondContact O-CB 3.48Å; L591-L594 PolarHBondContact O-N 3.02Å; L591-W595 PolarHBondContact O-N 3.28Å
592	D	61.8	Low	61.2	Low	107 Å²	107	115.7 Å²	115.7	57%	0.572	58%	0.583	S	S	*	*	H	α-helix	trans	-60.4	-34	175.7	-77.8	-21.5	0	0	0	112.3	V588 A596	V588-D592 PolarHBondContact O-N 3.06Å; D592-A596 WeakPolarHBondContact O-CB 3.49Å; D592-A596 PolarHBondContact O-N 3.12Å
593	L	60.9	Low	60.5	Low	116 Å²	116	118.2 Å²	118.2	61%	0.607	60%	0.599	S	S	*	*	H	α-helix	trans	-67	-37.8	171.6	-92.3	154.6	0	0	0	113.2	E589 L591 A596 E597	E589-L593 WeakPolarHBondContact O-CB 3.43Å; E589-L593 PolarHBondContact O-N 3.04Å; L591-L593 VanDerWaalsContact C-N 3.25Å; L591-L593 PolarHBondContact O-N 2.92Å; L593-A596 PolarHBondContact O-N 3.03Å; L593-E597 PolarHBondContact O-N 3.11Å; L593-E597 VanDerWaalsContact O-N 3.12Å
594	L	59.5	Low	59.5	Low	91 Å²	91	124.2 Å²	124.2	48%	0.476	62%	0.621	S	S	.	*	H	α-helix	trans	-70.5	-37	175.2	-81.4	160	0	0	0	112.3	V590 L591 A596 E597 E598	V590-L594 HydrophobicContact CG1-CD1 4.23Å; V590-L594 WeakPolarHBondContact O-CG 3.32Å; V590-L594 PolarHBondContact O-N 2.89Å; V590-L594 VanDerWaalsContact O-N 3.11Å; L591-L594 WeakPolarHBondContact O-CB 3.48Å; L591-L594 PolarHBondContact O-N 3.02Å; L594-A596 VanDerWaalsContact C-N 3.33Å; L594-E597 PolarHBondContact O-N 3.44Å; L594-E598 PolarHBondContact O-N 3.3Å
595	W	58.6	Low	59	Low	178 Å²	178	125.3 Å²	125.3	67%	0.674	63%	0.628	S	S	*	*	H	α-helix	trans	-71.9	-27.6	174.4	-75.4	66.6	0	0	0	112.2	L591 G599	L591-W595 PolarHBondContact O-N 3.28Å; W595-G599 PolarHBondContact O-N 3.04Å
596	A	58.3	Low	58.8	Low	59 Å²	59	126.9 Å²	126.9	49%	0.488	64%	0.635	S	S	.	*	H	α-helix	trans	-70.4	-37.1	170.9	0	0	0	0	0	112.5	D592 L593 L594 E600	D592-A596 WeakPolarHBondContact O-CB 3.49Å; D592-A596 PolarHBondContact O-N 3.12Å; L593-A596 PolarHBondContact O-N 3.03Å; L594-A596 VanDerWaalsContact C-N 3.33Å; A596-E600 PolarHBondContact O-N 3.38Å
597	E	58.6	Low	58.5	Low	142 Å²	142	125.6 Å²	125.6	66%	0.664	64%	0.639	S	S	*	*	H	α-helix	trans	-71.5	-36.1	173.9	-82.5	-172.3	155.7	0	0	113.1	L593 L594	L593-E597 PolarHBondContact O-N 3.11Å; L593-E597 VanDerWaalsContact O-N 3.12Å; L594-E597 PolarHBondContact O-N 3.44Å
598	E	56.5	Low	58.2	Low	137 Å²	137	124.8 Å²	124.8	64%	0.64	64%	0.638	S	S	*	*	H	α-helix	trans	-72.8	-27.8	173.1	-85	-177.8	159.9	0	0	113.1	L594	L594-E598 PolarHBondContact O-N 3.3Å
599	G	57.3	Low	57.9	Low	41 Å²	41	127.4 Å²	127.4	42%	0.423	65%	0.647	S	S	.	*	H	α-helix	trans	-70	-32.9	174.1	0	0	0	0	0	114.1	W595	W595-G599 PolarHBondContact O-N 3.04Å
600	E	55.2	Low	57.5	Low	164 Å²	164	127.4 Å²	127.4	77%	0.766	65%	0.65	S	S	*	*	H	α-helix	trans	-78.6	-19	176	-77.9	-164.1	159.6	0	0	113.6	A596	A596-E600 PolarHBondContact O-N 3.38Å
601	A	54.9	Low	57.1	Low	78 Å²	78	130.4 Å²	130.4	65%	0.645	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	-9.6	177.5	0	0	0	0	0	114.5
602	L	54.8	Low	56.7	Low	153 Å²	153	133 Å²	133	80%	0.801	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.2	5.8	178.3	-82.2	164.3	0	0	0	114.3
603	L	54.7	Low	56.3	Low	157 Å²	157	135.2 Å²	135.2	82%	0.822	68%	0.68	S	S	*	*			trans	-122.4	30.1	178.2	-84.2	165.3	0	0	0	113.8
604	R	46.3	Very low	55.9	Low	306 Å²	306	136.9 Å²	136.9	100%	1.155	69%	0.687	S	S	*	*			trans	-128.4	0	161.9	-80.4	-169.8	-173.6	173.4	6.4	112.4

Retrieved 604 of 604 residues in 325.1 ms (Link to these results)

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