A0A087XKY6_POEFO Loading...

ADP-dependent glucokinase

AlphaFold DB , UniProt , Accession A0A087XKY6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 494 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	50.9	Low	55.7	Low	216 Å²	216	133.2 Å²	133.2	100%	1.064	68%	0.676	S	S	*	*				0	-20	0	-74.8	-179.1	-72	0	0	114.5
2	W	48.7	Very low	56.4	Low	228 Å²	228	127.4 Å²	127.4	86%	0.864	66%	0.664	S	S	*	*	H	α-helix	trans	-74.1	-32	-178.3	-79.9	18.8	0	0	0	116	K4 A5 S6	W2-K4 VanDerWaalsContact C-N 3.33Å; W2-K4 PolarHBondContact O-N 3.26Å; W2-A5 PolarHBondContact O-N 3.07Å; W2-S6 PolarHBondContact O-N 3.17Å; W2-S6 PolarHBondContact O-OG 3.03Å; W2-S6 VanDerWaalsContact O-OG 3.07Å
3	R	46.9	Very low	56.8	Low	230 Å²	230	126.4 Å²	126.4	87%	0.868	66%	0.659	S	S	*	*	H	α-helix	trans	-63.8	-33.1	-179.3	-70.4	-175.7	176	-176.9	-2	114.3	A7	R3-A7 WeakPolarHBondContact O-CB 3.49Å; R3-A7 PolarHBondContact O-N 3.07Å
4	K	51.8	Low	57.1	Low	182 Å²	182	120.7 Å²	120.7	79%	0.791	64%	0.639	S	S	*	*	H	α-helix	trans	-75.4	-34.8	177.9	-66.3	-171.8	178.2	-173.9	0	111.9	W2 A8	W2-K4 VanDerWaalsContact C-N 3.33Å; W2-K4 PolarHBondContact O-N 3.26Å; K4-A8 WeakPolarHBondContact O-CB 3.48Å; K4-A8 PolarHBondContact O-N 3.32Å
5	A	54.9	Low	57.5	Low	61 Å²	61	117.9 Å²	117.9	50%	0.504	63%	0.629	S	S	.	*	H	α-helix	trans	-69.2	-39.4	174.9	0	0	0	0	0	111.9	W2 A8 L9	W2-A5 PolarHBondContact O-N 3.07Å; A5-A8 PolarHBondContact O-N 3.44Å; A5-L9 WeakPolarHBondContact O-CB 3.44Å; A5-L9 PolarHBondContact O-N 3Å
6	S	51.5	Low	57.2	Low	66 Å²	66	113.4 Å²	113.4	46%	0.462	62%	0.619	S	S	.	*	H	α-helix	trans	-66.3	-37.9	174.9	-53.8	0	0	0	0	112.7	W2 L9 L10	W2-S6 PolarHBondContact O-N 3.17Å; W2-S6 PolarHBondContact O-OG 3.03Å; W2-S6 VanDerWaalsContact O-OG 3.07Å; S6-L9 PolarHBondContact O-N 3.05Å; S6-L10 WeakPolarHBondContact O-CB 3.41Å; S6-L10 WeakPolarHBondContact O-CG 3.47Å; S6-L10 PolarHBondContact O-N 3.48Å
7	A	59.1	Low	57.4	Low	58 Å²	58	117.8 Å²	117.8	48%	0.479	63%	0.626	S	S	.	*	H	α-helix	trans	-67.4	-40.8	175.8	0	0	0	0	0	112.2	R3 L10 L11	R3-A7 WeakPolarHBondContact O-CB 3.49Å; R3-A7 PolarHBondContact O-N 3.07Å; A7-L10 PolarHBondContact O-N 3.45Å; A7-L11 WeakPolarHBondContact O-CB 3.49Å; A7-L11 PolarHBondContact O-N 3.01Å
8	A	62.6	Low	56.9	Low	61 Å²	61	119.8 Å²	119.8	50%	0.504	63%	0.629	S	S	.	*	H	α-helix	trans	-65.7	-37.9	176.1	0	0	0	0	0	112.4	K4 A5 L11 A12	K4-A8 WeakPolarHBondContact O-CB 3.48Å; K4-A8 PolarHBondContact O-N 3.32Å; A5-A8 PolarHBondContact O-N 3.44Å; A8-L11 PolarHBondContact O-N 3.08Å; A8-A12 WeakPolarHBondContact O-CB 3.48Å; A8-A12 PolarHBondContact O-N 3.03Å
9	L	60.3	Low	56.7	Low	115 Å²	115	123.2 Å²	123.2	60%	0.602	63%	0.633	S	S	*	*	H	α-helix	trans	-68.7	-39.8	177.3	-166.7	75.2	0	0	0	112.1	A5 S6 A12 L13	A5-L9 WeakPolarHBondContact O-CB 3.44Å; A5-L9 PolarHBondContact O-N 3Å; S6-L9 PolarHBondContact O-N 3.05Å; L9-A12 PolarHBondContact O-N 3.44Å; L9-L13 HydrophobicContact CG-CD1 4.35Å; L9-L13 WeakPolarHBondContact O-CB 3.37Å; L9-L13 WeakPolarHBondContact O-CG 3.39Å; L9-L13 PolarHBondContact O-N 3Å
10	L	62.7	Low	56.1	Low	123 Å²	123	120.8 Å²	120.8	64%	0.644	64%	0.64	S	S	*	*	H	α-helix	trans	-66.6	-37.7	174.7	-78.1	164.5	0	0	0	112.1	S6 A7 A14	S6-L10 WeakPolarHBondContact O-CB 3.41Å; S6-L10 WeakPolarHBondContact O-CG 3.47Å; S6-L10 PolarHBondContact O-N 3.48Å; A7-L10 PolarHBondContact O-N 3.45Å; L10-A14 WeakPolarHBondContact O-CB 3.47Å; L10-A14 PolarHBondContact O-N 3.44Å
11	L	62.9	Low	55.7	Low	125 Å²	125	117.6 Å²	117.6	65%	0.654	64%	0.637	S	S	*	*	H	α-helix	trans	-66.8	-42.2	175.6	-144.4	87.9	0	0	0	111.4	A7 A8 A14 V15	A7-L11 WeakPolarHBondContact O-CB 3.49Å; A7-L11 PolarHBondContact O-N 3.01Å; A8-L11 PolarHBondContact O-N 3.08Å; L11-A14 PolarHBondContact O-N 3.02Å; L11-V15 WeakPolarHBondContact O-CB 3.26Å; L11-V15 VanDerWaalsContact O-CG2 3.26Å; L11-V15 WeakPolarHBondContact O-CG2 3.47Å; L11-V15 PolarHBondContact O-N 3.34Å
12	A	64.6	Low	55.4	Low	64 Å²	64	116.3 Å²	116.3	53%	0.529	62%	0.62	S	S	.	*	H	α-helix	trans	-66	-38.9	178.2	0	0	0	0	0	112.5	A8 L9 G16	A8-A12 WeakPolarHBondContact O-CB 3.48Å; A8-A12 PolarHBondContact O-N 3.03Å; L9-A12 PolarHBondContact O-N 3.44Å; A12-G16 PolarHBondContact O-N 3.26Å
13	L	62	Low	55.2	Low	114 Å²	114	111.6 Å²	111.6	60%	0.597	62%	0.619	S	S	*	*	H	α-helix	trans	-68.7	-37.8	175	-76.7	165.8	0	0	0	112.2	L9 Y17	L9-L13 HydrophobicContact CG-CD1 4.35Å; L9-L13 WeakPolarHBondContact O-CB 3.37Å; L9-L13 WeakPolarHBondContact O-CG 3.39Å; L9-L13 PolarHBondContact O-N 3Å; L13-Y17 WeakPolarHBondContact O-CB 3.45Å; L13-Y17 PolarHBondContact O-N 3Å
14	A	61.2	Low	55.3	Low	47 Å²	47	109.3 Å²	109.3	39%	0.388	62%	0.618	S	S	.	*	H	α-helix	trans	-65.7	-45.6	174.9	0	0	0	0	0	111.6	L10 L11 G16 Y17 F18	L10-A14 WeakPolarHBondContact O-CB 3.47Å; L10-A14 PolarHBondContact O-N 3.44Å; L11-A14 PolarHBondContact O-N 3.02Å; A14-G16 PolarHBondContact O-N 2.98Å; A14-Y17 PolarHBondContact O-N 3.36Å; A14-F18 VanDerWaalsContact O-CD2 3.29Å; A14-F18 WeakPolarHBondContact O-CD2 3.28Å; A14-F18 PolarHBondContact O-N 3Å
15	V	62.2	Low	54.9	Low	79 Å²	79	105.1 Å²	105.1	48%	0.479	60%	0.604	S	S	.	*	H	α-helix	trans	-63.8	-41.1	177.2	172.8	0	0	0	0	111.3	L11 Y17 F18 Y19	L11-V15 WeakPolarHBondContact O-CB 3.26Å; L11-V15 VanDerWaalsContact O-CG2 3.26Å; L11-V15 WeakPolarHBondContact O-CG2 3.47Å; L11-V15 PolarHBondContact O-N 3.34Å; V15-Y17 PolarHBondContact O-N 3.32Å; V15-F18 PolarHBondContact O-N 3.5Å; V15-Y19 HydrophobicContact CG1-CD2 4.09Å; V15-Y19 HydrophobicContact CG1-CE2 4.46Å; V15-Y19 PolarHBondContact O-N 2.93Å
16	G	53.5	Low	54.1	Low	46 Å²	46	105.8 Å²	105.8	47%	0.474	60%	0.603	S	S	.	*	H	α-helix	trans	-63.8	-37.1	174.7	0	0	0	0	0	113.7	A12 A14 G20	A12-G16 PolarHBondContact O-N 3.26Å; A14-G16 PolarHBondContact O-N 2.98Å; G16-G20 PolarHBondContact O-N 3.06Å; G16-G20 VanDerWaalsContact O-N 3.13Å
17	Y	59.2	Low	53.5	Low	188 Å²	188	110.7 Å²	110.7	74%	0.737	62%	0.619	S	S	*	*	H	α-helix	trans	-68	-38.8	175.8	-175.9	-98.7	0	0	0	112.4	L13 A14 V15	L13-Y17 WeakPolarHBondContact O-CB 3.45Å; L13-Y17 PolarHBondContact O-N 3Å; A14-Y17 PolarHBondContact O-N 3.36Å; V15-Y17 PolarHBondContact O-N 3.32Å
18	F	49.9	Very low	52.4	Low	154 Å²	154	114.6 Å²	114.6	68%	0.675	63%	0.627	S	S	*	*	H	α-helix	trans	-71.3	-36.4	176.3	-86.7	-77.8	0	0	0	112.9	A14 V15	A14-F18 VanDerWaalsContact O-CD2 3.29Å; A14-F18 WeakPolarHBondContact O-CD2 3.28Å; A14-F18 PolarHBondContact O-N 3Å; V15-F18 PolarHBondContact O-N 3.5Å
19	Y	52.2	Low	51.2	Low	183 Å²	183	116.4 Å²	116.4	72%	0.718	63%	0.627	S	S	*	*	H	α-helix	trans	-75.4	-27.4	178.7	-99.9	-92.1	0	0	0	114.2	V15	V15-Y19 HydrophobicContact CG1-CD2 4.09Å; V15-Y19 HydrophobicContact CG1-CE2 4.46Å; V15-Y19 PolarHBondContact O-N 2.93Å
20	G	44.7	Very low	49.9	Very low	75 Å²	75	118.2 Å²	118.2	77%	0.773	64%	0.637	S	S	*	*	H	α-helix	trans	-80.8	-13.9	178.8	0	0	0	0	0	115	G16	G16-G20 PolarHBondContact O-N 3.06Å; G16-G20 VanDerWaalsContact O-N 3.13Å
21	G	48	Very low	48.8	Very low	55 Å²	55	119.9 Å²	119.9	57%	0.567	64%	0.641	S	S	*	*	H	α-helix	trans	-103.3	-29.4	-167.5	0	0	0	0	0	116.7
22	R	44.6	Very low	47.6	Very low	188 Å²	188	123.6 Å²	123.6	71%	0.709	65%	0.648	S	S	*	*			trans	-157.8	120.6	-178.3	-67.8	-167.9	179.1	-179.4	-1.4	111.4	E24	R22-E24 VanDerWaalsContact C-N 3.33Å; R22-E24 PolarHBondContact O-N 3.48Å
23	P	44.7	Very low	46.1	Very low	129 Å²	129	126.5 Å²	126.5	84%	0.838	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	-3.5	-175.4	-13.1	28.6	0	0	0	116.4
24	E	47.9	Very low	44.7	Very low	183 Å²	183	124.5 Å²	124.5	86%	0.855	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.3	26.8	-168.1	-67.3	-176.2	168.3	0	0	115	R22	R22-E24 VanDerWaalsContact C-N 3.33Å; R22-E24 PolarHBondContact O-N 3.48Å
25	L	43.9	Very low	43.2	Very low	93 Å²	93	129 Å²	129	49%	0.487	68%	0.677	S	S	.	*			trans	-119.7	41.3	-179.5	-100	150.7	0	0	0	117.3
26	P	38.8	Very low	41.8	Very low	76 Å²	76	130.1 Å²	130.1	49%	0.494	69%	0.686	S	S	.	*	S	Bend	trans	-94.7	-26.1	168.4	-5.5	25.9	0	0	0	115.8
27	E	38.3	Very low	40.8	Very low	169 Å²	169	134.4 Å²	134.4	79%	0.79	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	-22.4	-167	-72.6	-167	163.4	0	0	115.3
28	Q	36.6	Very low	39.5	Very low	139 Å²	139	132.6 Å²	132.6	65%	0.65	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	-14.4	-173.7	-73.3	179.9	-15.7	0	0	114.9
29	I	36.4	Very low	38.9	Very low	100 Å²	100	132.5 Å²	132.5	51%	0.513	70%	0.701	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.2	-22.7	-178	-63.7	177.4	0	0	0	112.2	Q31 Y32	I29-Q31 PolarHBondContact O-N 3.13Å; I29-Y32 PolarHBondContact O-N 3.36Å
30	L	33.5	Very low	38.2	Very low	152 Å²	152	129.3 Å²	129.3	80%	0.796	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	-13.3	172.3	-78.4	166.2	0	0	0	113.3
31	Q	39.8	Very low	38.2	Very low	158 Å²	158	128.8 Å²	128.8	74%	0.738	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-15.2	175	-72.8	-176.7	-15.4	0	0	114	I29	I29-Q31 PolarHBondContact O-N 3.13Å
32	Y	36.8	Very low	38.2	Very low	204 Å²	204	129 Å²	129	80%	0.8	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.2	-4.5	-174.2	-82.5	-81.1	0	0	0	115.2	I29	I29-Y32 PolarHBondContact O-N 3.36Å
33	I	33.8	Very low	38.7	Very low	125 Å²	125	127.9 Å²	127.9	64%	0.641	68%	0.68	S	S	*	*			trans	-102.8	75.2	167.7	-52.5	178.9	0	0	0	107.6	L35	I33-L35 HydrophobicContact CG2-CG 4.41Å; I33-L35 PolarHBondContact O-N 2.78Å
34	G	33.1	Very low	39.6	Very low	71 Å²	71	124.9 Å²	124.9	73%	0.732	66%	0.662	S	S	*	*			trans	-66.3	82.9	163.6	0	0	0	0	0	109.3
35	L	29.1	Very low	40.7	Very low	143 Å²	143	119.5 Å²	119.5	75%	0.749	64%	0.639	S	S	*	*			trans	-58.2	128.2	154.2	-82.8	158.5	0	0	0	106.1	I33 N37	I33-L35 HydrophobicContact CG2-CG 4.41Å; I33-L35 PolarHBondContact O-N 2.78Å; L35-N37 PolarHBondContact O-N 2.97Å
36	P	32.9	Very low	42.5	Very low	102 Å²	102	117.9 Å²	117.9	66%	0.662	63%	0.629	S	S	*	*			trans	-59	114.9	172	24.4	-30	0	0	0	106.2	L38	P36-L38 PolarHBondContact O-N 2.94Å
37	N	31.9	Very low	45	Very low	136 Å²	136	118.3 Å²	118.3	73%	0.727	63%	0.627	S	S	*	*			trans	-66.2	82.8	162.8	-123.2	0.4	0	0	0	105.4	L35 Q39	L35-N37 PolarHBondContact O-N 2.97Å; N37-Q39 PolarHBondContact O-N 3.36Å
38	L	33.5	Very low	47.7	Very low	149 Å²	149	112.3 Å²	112.3	78%	0.78	60%	0.6	S	S	*	*			trans	-67.8	65.8	156.2	-87.2	152.9	0	0	0	106.4	P36 T40	P36-L38 PolarHBondContact O-N 2.94Å; L38-T40 PolarHBondContact O-N 2.96Å
39	Q	36.6	Very low	50.5	Low	152 Å²	152	105.9 Å²	105.9	71%	0.71	57%	0.57	S	S	*	*			trans	-72.9	87.7	153.1	-76.7	-178.3	-16.6	0	0	104.7	N37	N37-Q39 PolarHBondContact O-N 3.36Å
40	T	38.2	Very low	53.4	Low	117 Å²	117	106.9 Å²	106.9	72%	0.718	57%	0.567	S	S	*	*			trans	-43.4	126	147.1	14.1	0	0	0	0	106.5	L38 S42	L38-T40 PolarHBondContact O-N 2.96Å; T40-S42 PolarHBondContact O-N 3.48Å
41	P	42.9	Very low	56.5	Low	63 Å²	63	100.7 Å²	100.7	41%	0.409	54%	0.538	S	S	.	.			trans	-49.9	122.3	172.7	-19.6	28.6	0	0	0	106.6	Q43 Q46	P41-Q43 PolarHBondContact O-N 3.26Å; P41-Q46 HydrophobicContact CB-CG 4.34Å
42	S	49.3	Very low	59.2	Low	59 Å²	59	93.3 Å²	93.3	41%	0.413	50%	0.504	S	S	.	.			trans	-55.7	135.4	171.5	52.7	0	0	0	0	106.5	T40 S44 N45	T40-S42 PolarHBondContact O-N 3.48Å; S42-S44 WeakPolarHBondContact CB-OG 3.35Å; S42-S44 PolarHBondContact O-N 3.07Å; S42-S44 PolarHBondContact OG-OG 3.04Å; S42-N45 PolarHBondContact O-N 2.98Å
43	Q	55.3	Low	62.1	Low	166 Å²	166	84.2 Å²	84.2	78%	0.776	47%	0.47	S	S	*	.	H	α-helix	trans	-47.7	-31.1	179.3	-79.1	173.3	-30.7	0	0	111.8	P41 N45 Q46 D47	P41-Q43 PolarHBondContact O-N 3.26Å; Q43-N45 VanDerWaalsContact C-N 3.34Å; Q43-N45 PolarHBondContact O-N 3.06Å; Q43-Q46 PolarHBondContact O-N 2.92Å; Q43-D47 VanDerWaalsContact O-CG 3.27Å; Q43-D47 PolarHBondContact O-N 2.75Å; Q43-D47 VanDerWaalsContact O-N 3.16Å
44	S	62.1	Low	65.2	Low	66 Å²	66	81.2 Å²	81.2	46%	0.462	46%	0.464	S	S	.	.	H	α-helix	trans	-53.5	-40.6	173.9	66.6	0	0	0	0	114.8	S42 D47 L48	S42-S44 WeakPolarHBondContact CB-OG 3.35Å; S42-S44 PolarHBondContact O-N 3.07Å; S42-S44 PolarHBondContact OG-OG 3.04Å; S44-D47 PolarHBondContact O-N 3.49Å; S44-L48 WeakPolarHBondContact O-CG 3.17Å; S44-L48 PolarHBondContact O-N 3.44Å
45	N	70.9	Confident	68.3	Low	69 Å²	69	78.2 Å²	78.2	37%	0.369	43%	0.432	S	S	.	.	H	α-helix	trans	-75.6	-40.1	-176.6	-73.2	8.3	0	0	0	111	S42 Q43 D47 L48 E49	S42-N45 PolarHBondContact O-N 2.98Å; Q43-N45 VanDerWaalsContact C-N 3.34Å; Q43-N45 PolarHBondContact O-N 3.06Å; N45-D47 PolarHBondContact O-N 3.36Å; N45-L48 WeakPolarHBondContact O-CA 3.37Å; N45-L48 WeakPolarHBondContact O-CB 3.41Å; N45-L48 PolarHBondContact O-N 2.87Å; N45-E49 VanDerWaalsContact C-CD 3.48Å; N45-E49 PolarHBondContact O-N 3.43Å
46	Q	81.8	Confident	71.5	Confident	59 Å²	59	71.5 Å²	71.5	28%	0.276	40%	0.397	S	S	.	.	H	α-helix	trans	-59.7	-29.7	173.1	-75.6	-170	-9.6	0	0	112.8	P41 Q43 E49 R50	P41-Q46 HydrophobicContact CB-CG 4.34Å; Q43-Q46 PolarHBondContact O-N 2.92Å; Q46-E49 WeakPolarHBondContact CA-OE2 3.07Å; Q46-E49 PolarHBondContact N-OE2 3.36Å; Q46-E49 VanDerWaalsContact N-OE2 3.15Å; Q46-R50 VanDerWaalsContact O-CB 3.24Å; Q46-R50 WeakPolarHBondContact O-CB 3.39Å; Q46-R50 PolarHBondContact O-N 3.33Å
47	D	91.1	Very high	74.6	Confident	86 Å²	86	71.7 Å²	71.7	46%	0.46	39%	0.389	S	S	.	.	H	α-helix	trans	-70.7	-39.5	174	-63.5	-26.7	0	0	0	111.6	Q43 S44 N45 R50 A51	Q43-D47 VanDerWaalsContact O-CG 3.27Å; Q43-D47 PolarHBondContact O-N 2.75Å; Q43-D47 VanDerWaalsContact O-N 3.16Å; S44-D47 PolarHBondContact O-N 3.49Å; N45-D47 PolarHBondContact O-N 3.36Å; D47-R50 PolarHBondContact O-N 3.06Å; D47-R50 IonicContact OD1-CZ 3.7Å; D47-R50 IonicContact OD1-NH1 2.67Å; D47-R50 PolarHBondContact OD1-NH1 2.91Å; D47-A51 WeakPolarHBondContact O-CB 3.26Å; D47-A51 PolarHBondContact O-N 3.27Å
48	L	95.1	Very high	77.7	Confident	42 Å²	42	69.1 Å²	69.1	22%	0.22	39%	0.386	C	S	.	.	H	α-helix	trans	-63.2	-48.5	173.2	-56.4	175.5	0	0	0	111.5	S44 N45 R50 A51 I52 L422 L426 P443	S44-L48 WeakPolarHBondContact O-CG 3.17Å; S44-L48 PolarHBondContact O-N 3.44Å; N45-L48 WeakPolarHBondContact O-CA 3.37Å; N45-L48 WeakPolarHBondContact O-CB 3.41Å; N45-L48 PolarHBondContact O-N 2.87Å; L48-R50 VanDerWaalsContact C-N 3.27Å; L48-R50 PolarHBondContact O-N 2.8Å; L48-A51 PolarHBondContact O-N 3.44Å; L48-I52 WeakPolarHBondContact O-CG1 3.29Å; L48-I52 PolarHBondContact O-N 3.48Å; L48-L422 HydrophobicContact CB-CD2 4.38Å; L48-L422 HydrophobicContact CD1-CD2 4.31Å; L48-L426 HydrophobicContact CD1-CD1 4.15Å; L48-L426 HydrophobicContact CD1-CD2 4.44Å; L48-P443 HydrophobicContact CB-CG 4.44Å; L48-P443 HydrophobicContact CD2-CB 4.39Å; L48-P443 HydrophobicContact CD2-CG 3.42Å; L48-P443 VanDerWaalsContact CD2-CG 3.42Å; L48-P443 HydrophobicContact CG-CG 4.5Å
49	E	96.9	Very high	80.8	Confident	5 Å²	5	66 Å²	66	2%	0.023	37%	0.37	C	S	.	.	H	α-helix	trans	-62.3	-37.3	179.8	-70.2	120.1	-169.4	0	0	111.6	N45 Q46 S53 V417 L422 L463	N45-E49 VanDerWaalsContact C-CD 3.48Å; N45-E49 PolarHBondContact O-N 3.43Å; Q46-E49 WeakPolarHBondContact CA-OE2 3.07Å; Q46-E49 PolarHBondContact N-OE2 3.36Å; Q46-E49 VanDerWaalsContact N-OE2 3.15Å; E49-S53 VanDerWaalsContact O-CB 3.29Å; E49-S53 WeakPolarHBondContact O-CB 3.32Å; E49-S53 PolarHBondContact O-N 3.34Å; E49-V417 HydrophobicContact CB-CG1 3.85Å; E49-L422 HydrophobicContact CG-CB 3.97Å; E49-L422 PolarHBondContact OE1-N 3.45Å; E49-L463 HydrophobicContact CB-CD2 4.1Å; E49-L463 HydrophobicContact CG-CD2 3.8Å
50	R	97.3	Very high	83.7	Confident	120 Å²	120	59.7 Å²	59.7	45%	0.453	34%	0.341	S	S	.	.	H	α-helix	trans	-67.1	-43.2	174.7	-165.9	-179.8	-56.6	106.5	5	112.1	Q46 D47 L48 S53 A54 V417	Q46-R50 VanDerWaalsContact O-CB 3.24Å; Q46-R50 WeakPolarHBondContact O-CB 3.39Å; Q46-R50 PolarHBondContact O-N 3.33Å; D47-R50 PolarHBondContact O-N 3.06Å; D47-R50 IonicContact OD1-CZ 3.7Å; D47-R50 IonicContact OD1-NH1 2.67Å; D47-R50 PolarHBondContact OD1-NH1 2.91Å; L48-R50 VanDerWaalsContact C-N 3.27Å; L48-R50 PolarHBondContact O-N 2.8Å; R50-S53 PolarHBondContact O-N 3.41Å; R50-A54 WeakPolarHBondContact O-CB 3.24Å; R50-A54 PolarHBondContact O-N 2.74Å; R50-V417 HydrophobicContact CB-CG1 4.21Å
51	A	97.4	Very high	86.6	Confident	22 Å²	22	56.8 Å²	56.8	18%	0.182	33%	0.329	C	S	.	.	H	α-helix	trans	-63.6	-46	177.9	0	0	0	0	0	111.6	D47 L48 A54 A55 P443	D47-A51 WeakPolarHBondContact O-CB 3.26Å; D47-A51 PolarHBondContact O-N 3.27Å; L48-A51 PolarHBondContact O-N 3.44Å; A51-A54 PolarHBondContact O-N 3.24Å; A51-A55 WeakPolarHBondContact O-CB 3.5Å; A51-A55 PolarHBondContact O-N 3.02Å; A51-P443 CarbonylContact C-O 3.59Å; A51-P443 HydrophobicContact CB-CB 3.56Å
52	I	97.9	Very high	89.2	Confident	4 Å²	4	57.1 Å²	57.1	2%	0.021	33%	0.327	C	S	.	.	H	α-helix	trans	-60.1	-49.2	175.5	-67.2	165.5	0	0	0	110.6	L48 A54 A55 W56 L422 P443 P446 P461 L463	L48-I52 WeakPolarHBondContact O-CG1 3.29Å; L48-I52 PolarHBondContact O-N 3.48Å; I52-A54 VanDerWaalsContact C-N 3.29Å; I52-A54 PolarHBondContact O-N 3.49Å; I52-A55 PolarHBondContact O-N 2.93Å; I52-W56 HydrophobicContact CG2-CD2 4.05Å; I52-W56 HydrophobicContact CG2-CE3 4.47Å; I52-W56 HydrophobicContact CG2-CH2 4.24Å; I52-W56 HydrophobicContact CG2-CZ2 3.75Å; I52-W56 PolarHBondContact O-N 2.92Å; I52-L422 HydrophobicContact CD1-CD1 4.03Å; I52-L422 HydrophobicContact CD1-CD2 3.96Å; I52-P443 WeakPolarHBondContact CA-O 3.38Å; I52-P443 HydrophobicContact CG1-CB 4.03Å; I52-P443 PolarHBondContact N-O 3.5Å; I52-P446 HydrophobicContact CG1-CB 4.2Å; I52-P446 HydrophobicContact CG2-CB 4.09Å; I52-P446 HydrophobicContact CG2-CG 4.48Å; I52-P461 HydrophobicContact CD1-CG 3.93Å; I52-P461 HydrophobicContact CG2-CG 4.49Å; I52-L463 HydrophobicContact CB-CD1 4.36Å; I52-L463 HydrophobicContact CB-CD2 4.29Å; I52-L463 HydrophobicContact CD1-CD2 4.07Å; I52-L463 HydrophobicContact CG2-CD1 4.07Å; I52-L463 HydrophobicContact CG2-CD2 4.12Å; I52-L463 HydrophobicContact CG2-CG 4.1Å
53	S	97.6	Very high	91.5	Very high	13 Å²	13	54.6 Å²	54.6	9%	0.091	31%	0.309	C	S	.	.	H	α-helix	trans	-60.8	-39.4	179.1	-173.8	0	0	0	0	111.9	E49 R50 E57	E49-S53 VanDerWaalsContact O-CB 3.29Å; E49-S53 WeakPolarHBondContact O-CB 3.32Å; E49-S53 PolarHBondContact O-N 3.34Å; R50-S53 PolarHBondContact O-N 3.41Å; S53-E57 WeakPolarHBondContact O-CG 3.39Å; S53-E57 PolarHBondContact O-N 3.21Å
54	A	97.9	Very high	93.4	Very high	61 Å²	61	52.3 Å²	52.3	50%	0.504	31%	0.311	S	S	.	.	H	α-helix	trans	-68.8	-39.4	176.8	0	0	0	0	0	112.2	R50 A51 I52 E57 A58	R50-A54 WeakPolarHBondContact O-CB 3.24Å; R50-A54 PolarHBondContact O-N 2.74Å; A51-A54 PolarHBondContact O-N 3.24Å; I52-A54 VanDerWaalsContact C-N 3.29Å; I52-A54 PolarHBondContact O-N 3.49Å; A54-E57 PolarHBondContact O-N 3.01Å; A54-A58 PolarHBondContact O-N 3.37Å; A54-A58 VanDerWaalsContact O-N 3.16Å
55	A	97.9	Very high	94.9	Very high	9 Å²	9	54.5 Å²	54.5	7%	0.074	31%	0.309	C	S	.	.	H	α-helix	trans	-63.9	-40.3	175.5	0	0	0	0	0	111.5	A51 I52 E57 A58 L59 E444 P446	A51-A55 WeakPolarHBondContact O-CB 3.5Å; A51-A55 PolarHBondContact O-N 3.02Å; I52-A55 PolarHBondContact O-N 2.93Å; A55-E57 PolarHBondContact O-N 3.15Å; A55-A58 PolarHBondContact O-N 3.44Å; A55-A58 VanDerWaalsContact O-N 3.17Å; A55-L59 HydrophobicContact CB-CD1 4.16Å; A55-L59 VanDerWaalsContact O-CB 3.23Å; A55-L59 WeakPolarHBondContact O-CB 3.39Å; A55-L59 WeakPolarHBondContact O-CG 3.3Å; A55-L59 PolarHBondContact O-N 2.99Å; A55-E444 WeakPolarHBondContact CB-O 3.41Å; A55-P446 HydrophobicContact CB-CG 3.85Å
56	W	97.7	Very high	96.1	Very high	1 Å²	1	55.8 Å²	55.8	0%	0.004	31%	0.313	C	S	.	.	H	α-helix	trans	-58.7	-45.3	173	-73.8	-12.2	0	0	0	113.1	I52 A58 L59 I60 M399 A402 R403 V415 P461 L463	I52-W56 HydrophobicContact CG2-CD2 4.05Å; I52-W56 HydrophobicContact CG2-CE3 4.47Å; I52-W56 HydrophobicContact CG2-CH2 4.24Å; I52-W56 HydrophobicContact CG2-CZ2 3.75Å; I52-W56 PolarHBondContact O-N 2.92Å; W56-A58 PolarHBondContact O-N 3.03Å; W56-L59 PolarHBondContact O-N 3.13Å; W56-I60 HydrophobicContact CB-CD1 3.71Å; W56-I60 HydrophobicContact CB-CG1 4.43Å; W56-I60 HydrophobicContact CG-CD1 4.08Å; W56-I60 VanDerWaalsContact O-CB 3.26Å; W56-I60 WeakPolarHBondContact O-CB 3.49Å; W56-I60 WeakPolarHBondContact O-CD1 3.42Å; W56-I60 WeakPolarHBondContact O-CG1 3.28Å; W56-I60 PolarHBondContact O-N 2.9Å; W56-M399 VanDerWaalsContact CD1-SD 3.59Å; W56-A402 HydrophobicContact CH2-CB 4.01Å; W56-A402 HydrophobicContact CZ2-CB 3.68Å; W56-R403 HydrophobicContact CD2-CB 4.29Å; W56-R403 HydrophobicContact CE3-CB 3.86Å; W56-R403 HydrophobicContact CE3-CG 4.03Å; W56-R403 HydrophobicContact CZ3-CB 4.15Å; W56-R403 HydrophobicContact CZ3-CG 4.48Å; W56-V415 HydrophobicContact CE3-CG2 4.41Å; W56-V415 HydrophobicContact CZ3-CG2 4.24Å; W56-P461 VanDerWaalsContact CZ2-O 3.3Å; W56-P461 WeakPolarHBondContact CZ2-O 3.46Å; W56-L463 HydrophobicContact CE3-CD1 4.31Å; W56-L463 HydrophobicContact CH2-CB 4.17Å; W56-L463 HydrophobicContact CH2-CD1 4.14Å; W56-L463 HydrophobicContact CH2-CG 3.7Å; W56-L463 HydrophobicContact CZ3-CB 4.22Å; W56-L463 HydrophobicContact CZ3-CD1 3.74Å; W56-L463 HydrophobicContact CZ3-CG 3.81Å
57	E	96.5	Very high	96.9	Very high	107 Å²	107	54.6 Å²	54.6	50%	0.5	31%	0.306	S	S	.	.	H	α-helix	trans	-62.7	-30.5	176.8	-66.7	-58.9	153.8	0	0	112.7	S53 A54 A55	S53-E57 WeakPolarHBondContact O-CG 3.39Å; S53-E57 PolarHBondContact O-N 3.21Å; A54-E57 PolarHBondContact O-N 3.01Å; A55-E57 PolarHBondContact O-N 3.15Å
58	A	97.7	Very high	97.2	Very high	81 Å²	81	53.9 Å²	53.9	67%	0.669	31%	0.305	S	S	*	.	H	α-helix	trans	-86.4	-33.9	-179.3	0	0	0	0	0	114	A54 A55 W56	A54-A58 PolarHBondContact O-N 3.37Å; A54-A58 VanDerWaalsContact O-N 3.16Å; A55-A58 PolarHBondContact O-N 3.44Å; A55-A58 VanDerWaalsContact O-N 3.17Å; W56-A58 PolarHBondContact O-N 3.03Å
59	L	97.8	Very high	97.3	Very high	83 Å²	83	54.8 Å²	54.8	44%	0.435	31%	0.307	S	S	.	.	H	α-helix	trans	-105.5	-19.1	-167	-59.3	174.4	0	0	0	113.9	A55 W56 A61 M399	A55-L59 HydrophobicContact CB-CD1 4.16Å; A55-L59 VanDerWaalsContact O-CB 3.23Å; A55-L59 WeakPolarHBondContact O-CB 3.39Å; A55-L59 WeakPolarHBondContact O-CG 3.3Å; A55-L59 PolarHBondContact O-N 2.99Å; W56-L59 PolarHBondContact O-N 3.13Å; L59-A61 PolarHBondContact O-N 2.87Å; L59-M399 HydrophobicContact CB-CE 3.67Å; L59-M399 HydrophobicContact CB-SD 4.29Å
60	I	98.4	Very high	97.4	Very high	20 Å²	20	54.6 Å²	54.6	10%	0.103	31%	0.306	C	S	.	.			trans	-76.9	110.8	176.2	-65.1	168.9	0	0	0	108.8	W56 M399 A400 R403 Y485	W56-I60 HydrophobicContact CB-CD1 3.71Å; W56-I60 HydrophobicContact CB-CG1 4.43Å; W56-I60 HydrophobicContact CG-CD1 4.08Å; W56-I60 VanDerWaalsContact O-CB 3.26Å; W56-I60 WeakPolarHBondContact O-CB 3.49Å; W56-I60 WeakPolarHBondContact O-CD1 3.42Å; W56-I60 WeakPolarHBondContact O-CG1 3.28Å; W56-I60 PolarHBondContact O-N 2.9Å; I60-M399 HydrophobicContact CD1-CB 3.88Å; I60-M399 HydrophobicContact CG1-CB 3.65Å; I60-M399 HydrophobicContact CG1-CE 4.25Å; I60-A400 HydrophobicContact CG2-CB 4.11Å; I60-R403 HydrophobicContact CD1-CB 4.11Å; I60-Y485 HydrophobicContact CG2-CD1 3.91Å; I60-Y485 HydrophobicContact CG2-CE1 3.29Å
61	A	97.9	Very high	97.4	Very high	56 Å²	56	48.9 Å²	48.9	46%	0.463	29%	0.285	S	S	.	.			trans	-131.7	144.8	175.1	0	0	0	0	0	110.4	L59 N393 Y485	L59-A61 PolarHBondContact O-N 2.87Å; A61-N393 PolarHBondContact O-ND2 3.34Å; A61-Y485 WeakPolarHBondContact O-CD1 3.46Å
62	L	97.9	Very high	97.5	Very high	71 Å²	71	47.8 Å²	47.8	37%	0.372	28%	0.276	S	S	.	.			trans	-61.1	151.2	173.8	-72.3	168.9	0	0	0	110.8	Q66 Y165 V484 Y485	L62-Q66 HydrophobicContact CB-CG 4.37Å; L62-Y165 HydrophobicContact CD2-CE1 4.47Å; L62-V484 HydrophobicContact CD2-CG1 3.92Å; L62-Y485 HydrophobicContact CD2-CD1 4.12Å; L62-Y485 HydrophobicContact CD2-CE1 3.84Å; L62-Y485 HydrophobicContact CD2-CE2 4.41Å; L62-Y485 HydrophobicContact CG-CE1 4.16Å
63	P	97.3	Very high	97.5	Very high	6 Å²	6	47.6 Å²	47.6	4%	0.039	28%	0.275	C	S	.	.			trans	-65.5	165.4	178	26.9	-34.5	0	0	0	111.9	R65 Q66 N393 E487	P63-R65 VanDerWaalsContact C-N 3.26Å; P63-R65 WeakPolarHBondContact CG-O 3.49Å; P63-R65 PolarHBondContact O-N 3.25Å; P63-Q66 HydrophobicContact CG-CG 4.07Å; P63-N393 HydrophobicContact CB-CB 4.08Å; P63-E487 HydrophobicContact CB-CB 3.72Å; P63-E487 HydrophobicContact CB-CG 4.34Å
64	S	95.4	Very high	97.5	Very high	117 Å²	117	47.1 Å²	47.1	82%	0.818	27%	0.271	S	S	*	.	S	Bend	trans	-68	-32.3	178.2	-64.3	0	0	0	0	111.5	E487	S64-E487 PolarHBondContact N-OE2 2.86Å; S64-E487 VanDerWaalsContact N-OE2 3.15Å
65	R	94.7	Very high	97.5	Very high	112 Å²	112	44.3 Å²	44.3	42%	0.423	25%	0.248	S	C	.	.	S	Bend	trans	-116.9	116.7	172.5	-61.3	174	64.6	-144.3	-6.7	108.5	P63 E487	P63-R65 VanDerWaalsContact C-N 3.26Å; P63-R65 WeakPolarHBondContact CG-O 3.49Å; P63-R65 PolarHBondContact O-N 3.25Å; R65-E487 HydrophobicContact CB-CG 4.11Å; R65-E487 WeakPolarHBondContact CB-OE1 3.13Å; R65-E487 WeakPolarHBondContact CD-OE1 3.43Å; R65-E487 WeakPolarHBondContact CG-OE1 3.21Å
66	Q	96.4	Very high	97.5	Very high	97 Å²	97	43.9 Å²	43.9	45%	0.453	24%	0.244	S	C	.	.			trans	-102.6	152.8	-178.8	-64.1	168.8	39.3	0	0	109.8	L62 P63	L62-Q66 HydrophobicContact CB-CG 4.37Å; P63-Q66 HydrophobicContact CG-CG 4.07Å
67	W	97.1	Very high	97.4	Very high	34 Å²	34	44 Å²	44	13%	0.129	25%	0.245	C	C	.	.			trans	-69.7	142.1	169.7	-43.5	113.9	0	0	0	109.8	V70 L168 E251 L252 P288 W391 L483 S486 L488	W67-V70 HydrophobicContact CB-CG2 4.07Å; W67-L168 HydrophobicContact CB-CD1 3.88Å; W67-E251 VanDerWaalsContact CA-OE2 3.25Å; W67-E251 WeakPolarHBondContact CA-OE2 3.21Å; W67-E251 HydrophobicContact CE3-CB 3.8Å; W67-E251 HydrophobicContact CZ3-CB 4.29Å; W67-L252 HydrophobicContact CD2-CB 4.38Å; W67-L252 HydrophobicContact CE3-CB 4.41Å; W67-P288 HydrophobicContact CH2-CG 4.3Å; W67-W391 HydrophobicContact CZ2-CZ3 4.48Å; W67-L483 PolarHBondContact NE1-O 3.15Å; W67-S486 PolarHBondContact NE1-O 3.25Å; W67-L488 HydrophobicContact CH2-CB 3.72Å
68	T	97.4	Very high	97.5	Very high	70 Å²	70	38.9 Å²	38.9	43%	0.429	22%	0.221	S	C	.	.	S	Bend	trans	-114.3	-23.4	173.3	62.6	0	0	0	0	111.9	M169 E251	T68-M169 WeakPolarHBondContact O-CB 3.45Å; T68-M169 PolarHBondContact O-N 2.98Å; T68-E251 PolarHBondContact N-OE2 3.02Å; T68-E251 VanDerWaalsContact OG1-CD 3.29Å; T68-E251 PolarHBondContact OG1-OE1 3.46Å; T68-E251 VanDerWaalsContact OG1-OE1 3.1Å; T68-E251 PolarHBondContact OG1-OE2 3.13Å
69	K	98	Very high	97.4	Very high	62 Å²	62	35.6 Å²	35.6	27%	0.27	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	124.7	178.1	-66.7	-175	175.5	-175.3	0	111.5	M169 F248 E251	K69-M169 WeakPolarHBondContact CA-O 3.24Å; K69-M169 HydrophobicContact CG-CB 4.28Å; K69-F248 HydrophobicContact CB-CE1 3.91Å; K69-F248 HydrophobicContact CB-CZ 4.05Å; K69-F248 WeakPolarHBondContact CD-O 3.32Å; K69-F248 HydrophobicContact CG-CZ 4.34Å; K69-F248 PolarHBondContact NZ-O 3.02Å; K69-E251 PolarHBondContact O-N 3.28Å
70	V	98.6	Very high	97.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	135.5	176.3	174.2	0	0	0	0	109.6	W67 V72 F162 L168 M169 V170 L171 F248 L252 V254	W67-V70 HydrophobicContact CB-CG2 4.07Å; V70-V72 HydrophobicContact CG1-CG2 3.83Å; V70-F162 HydrophobicContact CG1-CD2 3.83Å; V70-F162 HydrophobicContact CG1-CE2 3.62Å; V70-F162 HydrophobicContact CG1-CZ 4.21Å; V70-L168 HydrophobicContact CB-CD1 4.37Å; V70-L168 HydrophobicContact CG2-CD1 3.71Å; V70-L168 HydrophobicContact CG2-CD2 4.39Å; V70-L168 HydrophobicContact CG2-CG 4.46Å; V70-M169 PolarHBondContact N-O 2.92Å; V70-V170 WeakPolarHBondContact O-CA 3.48Å; V70-L171 PolarHBondContact O-N 3.33Å; V70-F248 WeakPolarHBondContact O-CE1 3.16Å; V70-L252 WeakPolarHBondContact CA-O 3.39Å; V70-L252 HydrophobicContact CG1-CD2 4.32Å; V70-L252 HydrophobicContact CG1-CG 4.36Å; V70-L252 HydrophobicContact CG2-CB 4.1Å; V70-L252 HydrophobicContact CG2-CD2 4.05Å; V70-L252 HydrophobicContact CG2-CG 4.39Å; V70-V254 HydrophobicContact CG1-CG2 4.23Å
71	A	98.8	Very high	97.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	132.1	173.3	0	0	0	0	0	109.6	L171 F241 L245 F248 P250 L252 V253 V254	A71-L171 CarbonylContact C-O 3.49Å; A71-L171 WeakPolarHBondContact CA-O 3.37Å; A71-L171 HydrophobicContact CB-CB 4.33Å; A71-L171 HydrophobicContact CB-CD2 4.08Å; A71-F241 HydrophobicContact CB-CE2 3.75Å; A71-F241 HydrophobicContact CB-CZ 3.85Å; A71-L245 HydrophobicContact CB-CD2 3.54Å; A71-F248 HydrophobicContact CB-CD1 4.15Å; A71-F248 HydrophobicContact CB-CE1 4.28Å; A71-P250 HydrophobicContact CB-CB 3.79Å; A71-P250 HydrophobicContact CB-CG 3.91Å; A71-L252 PolarHBondContact N-O 3.39Å; A71-V253 HydrophobicContact CB-CG2 4.42Å; A71-V253 CarbonylContact O-C 3.46Å; A71-V253 WeakPolarHBondContact O-CA 3.35Å; A71-V254 PolarHBondContact O-N 2.74Å
72	V	98.9	Very high	97	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	137.8	-175.7	-166.8	0	0	0	0	110.6	V70 A155 I158 F162 V170 L171 L172 C173 F241 V254	V70-V72 HydrophobicContact CG1-CG2 3.83Å; V72-A155 HydrophobicContact CG1-CB 3.93Å; V72-A155 WeakPolarHBondContact CG1-O 3.21Å; V72-I158 HydrophobicContact CG1-CB 4.07Å; V72-I158 HydrophobicContact CG1-CG2 3.85Å; V72-I158 HydrophobicContact CG2-CG2 4.24Å; V72-F162 HydrophobicContact CG2-CD2 3.86Å; V72-F162 HydrophobicContact CG2-CE2 4.02Å; V72-V170 HydrophobicContact CG2-CG1 4.27Å; V72-L171 PolarHBondContact N-O 3.16Å; V72-L172 HydrophobicContact CB-CD1 4.35Å; V72-L172 WeakPolarHBondContact O-CA 3.35Å; V72-C173 PolarHBondContact O-N 3.34Å; V72-C173 VanDerWaalsContact O-N 3.09Å; V72-F241 VanDerWaalsContact C-CE2 3.42Å; V72-F241 VanDerWaalsContact O-CE2 3.31Å; V72-F241 WeakPolarHBondContact O-CE2 3.37Å; V72-V254 CarbonylContact C-O 3.58Å; V72-V254 VanDerWaalsContact CA-O 3.31Å; V72-V254 WeakPolarHBondContact CA-O 3.42Å; V72-V254 HydrophobicContact CG1-CB 4.1Å; V72-V254 HydrophobicContact CG1-CG1 4.34Å; V72-V254 HydrophobicContact CG2-CB 4.3Å
73	G	98.2	Very high	97	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	172.6	177	0	0	0	0	0	113.8	A155 C173 V254 L255 S256	G73-A155 WeakPolarHBondContact O-CB 3.47Å; G73-C173 WeakPolarHBondContact CA-O 3.37Å; G73-V254 PolarHBondContact N-O 3.21Å; G73-L255 CarbonylContact O-C 3.52Å; G73-L255 WeakPolarHBondContact O-CA 3.49Å; G73-S256 PolarHBondContact O-N 2.98Å
74	V	96.8	Very high	96.8	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.012	15%	0.147	C	C	.	.	S	Bend	cis	-120.9	0	-9.6	-61.4	0	0	0	0	114.8	C173 G174 P175 M235 L238 F241 S256	V74-C173 WeakPolarHBondContact CA-O 3.47Å; V74-G174 WeakPolarHBondContact O-CA 3.46Å; V74-P175 WeakPolarHBondContact O-CD 3.42Å; V74-M235 HydrophobicContact CG2-CB 3.96Å; V74-M235 HydrophobicContact CG2-CE 3.63Å; V74-M235 HydrophobicContact CG2-CG 4.26Å; V74-L238 HydrophobicContact CG1-CD1 4.32Å; V74-L238 HydrophobicContact CG2-CB 4.33Å; V74-F241 HydrophobicContact CG1-CB 3.61Å; V74-F241 HydrophobicContact CG1-CD1 4.17Å; V74-F241 HydrophobicContact CG1-CG 3.88Å; V74-S256 PolarHBondContact N-O 3.18Å; V74-S256 VanDerWaalsContact N-O 3.16Å
75	N	97.3	Very high	96.8	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.011	11%	0.11	C	C	.	.			trans	-81	125	179.9	70.4	-37.3	0	0	0	113.7	G153 N154 A155 A156 N232 G257 M260	N75-G153 CarbonylContact O-C 3.51Å; N75-N154 PolarHBondContact ND2-N 3.42Å; N75-N154 VanDerWaalsContact ND2-N 3.18Å; N75-N154 PolarHBondContact ND2-OD1 2.89Å; N75-N154 PolarHBondContact OD1-N 3.37Å; N75-A155 VanDerWaalsContact O-CB 3.32Å; N75-A155 WeakPolarHBondContact O-CB 3.25Å; N75-A155 PolarHBondContact O-N 2.87Å; N75-A155 PolarHBondContact OD1-N 3.46Å; N75-A156 PolarHBondContact O-N 3.21Å; N75-N232 WeakPolarHBondContact CA-OD1 3.05Å; N75-N232 HydrophobicContact CB-CB 4.31Å; N75-G257 PolarHBondContact OD1-N 2.74Å; N75-M260 HydrophobicContact CB-SD 3.84Å
76	A	98.1	Very high	96.8	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.092	C	C	.	.			trans	-147.7	136.2	-176.7	0	0	0	0	0	110.4	A156 P175 V176 L180 N232	A76-A156 HydrophobicContact CB-CB 3.89Å; A76-P175 WeakPolarHBondContact O-CG 3.42Å; A76-V176 HydrophobicContact CB-CG2 4.46Å; A76-L180 HydrophobicContact CB-CD2 3.8Å; A76-N232 PolarHBondContact N-OD1 3.21Å; A76-N232 PolarHBondContact O-ND2 3.01Å
77	C	97.1	Very high	96.7	Very high	3 Å²	3	12.7 Å²	12.7	2%	0.02	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	176.5	178.6	66	0	0	0	0	111.6	G152 G153 E200	C77-G152 PolarHBondContact N-O 3.26Å; C77-G152 CarbonylContact O-C 3.57Å; C77-G152 WeakPolarHBondContact O-CA 3Å; C77-G152 PolarHBondContact O-N 2.92Å; C77-G153 PolarHBondContact SG-N 3.46Å; C77-G153 VanDerWaalsContact SG-N 3.43Å; C77-E200 CarbonylContact C-O 3.55Å; C77-E200 WeakPolarHBondContact CA-O 3.33Å; C77-E200 HydrophobicContact CB-CB 4.09Å; C77-E200 VanDerWaalsContact CB-O 3.25Å; C77-E200 WeakPolarHBondContact CB-O 3.49Å
78	V	97.6	Very high	96.6	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	114.4	169.3	-177.4	0	0	0	0	109.4	V80 L149 L180 M183 D199 E200 F201 H202	V78-V80 HydrophobicContact CG1-CG2 4.36Å; V78-L149 HydrophobicContact CG1-CB 4.28Å; V78-L149 HydrophobicContact CG1-CD2 4.19Å; V78-L149 HydrophobicContact CG1-CG 4.32Å; V78-L180 HydrophobicContact CG2-CB 3.7Å; V78-L180 HydrophobicContact CG2-CD1 4.24Å; V78-L180 HydrophobicContact CG2-CG 4.46Å; V78-M183 HydrophobicContact CG1-CE 4.32Å; V78-M183 HydrophobicContact CG1-SD 4.08Å; V78-D199 HydrophobicContact CG2-CB 4.15Å; V78-E200 PolarHBondContact N-O 2.99Å; V78-F201 HydrophobicContact CB-CD1 3.66Å; V78-F201 HydrophobicContact CB-CE1 3.73Å; V78-F201 HydrophobicContact CG1-CD1 3.9Å; V78-F201 HydrophobicContact CG1-CE1 3.73Å; V78-F201 HydrophobicContact CG2-CE1 4.25Å; V78-F201 WeakPolarHBondContact O-CA 3.37Å; V78-H202 PolarHBondContact O-N 2.88Å
79	D	96.2	Very high	96.4	Very high	13 Å²	13	13 Å²	13	7%	0.07	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	124.2	171.5	-72.8	-18.8	0	0	0	109.6	L149 Y150 H202 I204	D79-L149 CarbonylContact O-C 3.54Å; D79-L149 WeakPolarHBondContact O-CA 3.23Å; D79-Y150 PolarHBondContact N-O 2.04Å; D79-Y150 PolarHBondContact O-N 2.83Å; D79-H202 WeakPolarHBondContact OD1-CB 3.32Å; D79-I204 HydrophobicContact CB-CD1 3.98Å
80	V	96.5	Very high	96.2	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	103.7	176	-172.3	0	0	0	0	109.1	V78 A141 A147 L149 F201 H202 L203 I204	V78-V80 HydrophobicContact CG1-CG2 4.36Å; V80-A141 HydrophobicContact CG1-CB 4.07Å; V80-A147 HydrophobicContact CG1-CB 4.37Å; V80-L149 HydrophobicContact CG2-CG 4.45Å; V80-F201 HydrophobicContact CG2-CD1 3.56Å; V80-F201 HydrophobicContact CG2-CE1 4.13Å; V80-F201 HydrophobicContact CG2-CG 4.49Å; V80-H202 PolarHBondContact N-O 2.87Å; V80-L203 HydrophobicContact CB-CD2 3.7Å; V80-L203 HydrophobicContact CG1-CD2 4.35Å; V80-L203 HydrophobicContact CG2-CD2 3.84Å; V80-I204 PolarHBondContact O-N 3.43Å
81	V	94.7	Very high	95.9	Very high	18 Å²	18	14.2 Å²	14.2	11%	0.109	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	121	176.7	-176.8	0	0	0	0	109.8	A147 K148 Y150 I204 E206	V81-A147 WeakPolarHBondContact O-CA 3.38Å; V81-K148 HydrophobicContact CB-CB 4.41Å; V81-K148 PolarHBondContact N-O 3.37Å; V81-K148 PolarHBondContact O-N 3.21Å; V81-Y150 HydrophobicContact CB-CE2 4.14Å; V81-Y150 HydrophobicContact CG2-CD2 3.86Å; V81-Y150 HydrophobicContact CG2-CE2 3.67Å; V81-I204 WeakPolarHBondContact CA-O 3.49Å; V81-I204 HydrophobicContact CG2-CB 4.08Å; V81-I204 HydrophobicContact CG2-CD1 4Å; V81-I204 HydrophobicContact CG2-CG2 4.32Å; V81-E206 VanDerWaalsContact CG1-CD 3.44Å; V81-E206 HydrophobicContact CG1-CG 3.83Å
82	V	95.3	Very high	95.7	Very high	5 Å²	5	18.5 Å²	18.5	3%	0.03	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	157.7	-174.7	65.6	0	0	0	0	111.1	G84 L87 A141 Y144 A147 I204 L205 E206	V82-G84 PolarHBondContact O-N 3.07Å; V82-L87 HydrophobicContact CG1-CB 4.28Å; V82-L87 HydrophobicContact CG1-CD2 3.97Å; V82-L87 HydrophobicContact CG2-CB 4.32Å; V82-A141 HydrophobicContact CG1-CB 4.45Å; V82-Y144 HydrophobicContact CG2-CD1 3.49Å; V82-Y144 VanDerWaalsContact CG2-CD1 3.49Å; V82-Y144 HydrophobicContact CG2-CE1 4.12Å; V82-Y144 HydrophobicContact CG2-CG 3.83Å; V82-A147 HydrophobicContact CB-CB 4.47Å; V82-A147 HydrophobicContact CG2-CB 4.43Å; V82-I204 PolarHBondContact N-O 3.29Å; V82-L205 HydrophobicContact CG1-CD1 4.08Å; V82-L205 HydrophobicContact CG1-CG 4.32Å; V82-L205 WeakPolarHBondContact O-CA 3.48Å; V82-E206 PolarHBondContact O-N 3.21Å
83	S	95.9	Very high	95.4	Very high	44 Å²	44	19.2 Å²	19.2	31%	0.308	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	122.7	169.2	169.1	0	0	0	0	109.5	G86 L87	S83-G86 PolarHBondContact O-N 3.49Å; S83-G86 PolarHBondContact OG-N 2.97Å; S83-G86 VanDerWaalsContact OG-N 3.07Å; S83-L87 WeakPolarHBondContact O-CB 3.32Å; S83-L87 PolarHBondContact O-N 3.06Å
84	G	94.3	Very high	95.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.8	-48.3	179.2	0	0	0	0	0	113	V82 G86 L87 L88 E206	V82-G84 PolarHBondContact O-N 3.07Å; G84-G86 VanDerWaalsContact C-N 3.35Å; G84-G86 PolarHBondContact O-N 2.93Å; G84-L87 PolarHBondContact O-N 2.91Å; G84-L88 WeakPolarHBondContact O-CG 3.49Å; G84-L88 PolarHBondContact O-N 3.26Å; G84-E206 PolarHBondContact N-O 3.27Å
85	V	94.9	Very high	94.8	Very high	8 Å²	8	28 Å²	28	5%	0.048	18%	0.177	C	C	.	.	H	α-helix	trans	-61.2	-45.8	175	176.2	0	0	0	0	110.6	L87 L88 Q89 F114 M118 E211 W213	V85-L87 PolarHBondContact O-N 2.86Å; V85-L88 PolarHBondContact O-N 3.29Å; V85-Q89 HydrophobicContact CG1-CG 4.4Å; V85-Q89 WeakPolarHBondContact O-CB 3.16Å; V85-Q89 VanDerWaalsContact O-CG 3.26Å; V85-Q89 WeakPolarHBondContact O-CG 3.38Å; V85-Q89 PolarHBondContact O-N 2.75Å; V85-F114 HydrophobicContact CG2-CE1 4.04Å; V85-F114 HydrophobicContact CG2-CZ 4.29Å; V85-M118 HydrophobicContact CG2-CE 3.92Å; V85-M118 HydrophobicContact CG2-SD 3.97Å; V85-E211 WeakPolarHBondContact CB-OE1 3.49Å; V85-E211 HydrophobicContact CG2-CG 4.24Å; V85-E211 WeakPolarHBondContact CG2-OE1 3.36Å; V85-W213 HydrophobicContact CG1-CB 3.83Å; V85-W213 HydrophobicContact CG1-CD2 4.24Å; V85-W213 HydrophobicContact CG1-CG 3.69Å; V85-W213 HydrophobicContact CG2-CB 3.86Å; V85-W213 HydrophobicContact CG2-CG 4.31Å
86	G	94.6	Very high	94.5	Very high	5 Å²	5	29.2 Å²	29.2	5%	0.052	19%	0.191	C	C	.	.	H	α-helix	trans	-61	-41.8	-180	0	0	0	0	0	113.4	S83 G84 A90 Y144	S83-G86 PolarHBondContact O-N 3.49Å; S83-G86 PolarHBondContact OG-N 2.97Å; S83-G86 VanDerWaalsContact OG-N 3.07Å; G84-G86 VanDerWaalsContact C-N 3.35Å; G84-G86 PolarHBondContact O-N 2.93Å; G86-A90 WeakPolarHBondContact O-CB 3.34Å; G86-A90 PolarHBondContact O-N 3.18Å; G86-Y144 WeakPolarHBondContact CA-OH 3.19Å; G86-Y144 WeakPolarHBondContact O-CE2 2.99Å
87	L	95.1	Very high	94.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-65.6	-48.1	176.2	177.3	61.7	0	0	0	111.4	V82 S83 G84 V85 Q89 A90 L91 I137 A141 L205	V82-L87 HydrophobicContact CG1-CB 4.28Å; V82-L87 HydrophobicContact CG1-CD2 3.97Å; V82-L87 HydrophobicContact CG2-CB 4.32Å; S83-L87 WeakPolarHBondContact O-CB 3.32Å; S83-L87 PolarHBondContact O-N 3.06Å; G84-L87 PolarHBondContact O-N 2.91Å; V85-L87 PolarHBondContact O-N 2.86Å; L87-Q89 VanDerWaalsContact C-N 3.28Å; L87-Q89 PolarHBondContact O-N 3.22Å; L87-A90 WeakPolarHBondContact O-CB 3.44Å; L87-A90 PolarHBondContact O-N 2.86Å; L87-A90 VanDerWaalsContact O-N 3.08Å; L87-L91 HydrophobicContact CD1-CD1 4.16Å; L87-L91 HydrophobicContact CD1-CG 4.17Å; L87-L91 HydrophobicContact CG-CD1 3.99Å; L87-L91 HydrophobicContact CG-CG 4.42Å; L87-L91 VanDerWaalsContact O-CG 3.32Å; L87-L91 WeakPolarHBondContact O-CG 3.16Å; L87-L91 PolarHBondContact O-N 3.26Å; L87-I137 HydrophobicContact CD2-CG2 4.47Å; L87-A141 HydrophobicContact CD1-CB 3.88Å; L87-A141 HydrophobicContact CD2-CB 3.88Å; L87-L205 HydrophobicContact CD2-CD1 3.9Å; L87-L205 HydrophobicContact CD2-CD2 4.2Å; L87-L205 HydrophobicContact CD2-CG 4.11Å
88	L	95.1	Very high	94.2	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-62.5	-37.4	-179.1	-68.6	172.8	0	0	0	111.9	G84 V85 L91 A92 V93 L110 F114 W213	G84-L88 WeakPolarHBondContact O-CG 3.49Å; G84-L88 PolarHBondContact O-N 3.26Å; V85-L88 PolarHBondContact O-N 3.29Å; L88-L91 PolarHBondContact O-N 3.04Å; L88-A92 PolarHBondContact O-N 3.16Å; L88-V93 WeakPolarHBondContact O-CB 3.45Å; L88-V93 PolarHBondContact O-N 3.27Å; L88-L110 HydrophobicContact CD2-CD2 4.11Å; L88-L110 HydrophobicContact CD2-CG 4.11Å; L88-F114 HydrophobicContact CD1-CB 4.01Å; L88-F114 HydrophobicContact CD1-CD1 3.35Å; L88-F114 HydrophobicContact CD1-CE1 3.95Å; L88-F114 HydrophobicContact CD1-CG 3.71Å; L88-W213 HydrophobicContact CB-CH2 3.52Å; L88-W213 HydrophobicContact CB-CZ2 3.92Å; L88-W213 HydrophobicContact CB-CZ3 4.13Å; L88-W213 HydrophobicContact CD1-CE3 4.29Å; L88-W213 HydrophobicContact CD1-CH2 3.58Å; L88-W213 HydrophobicContact CD1-CZ3 3.36Å; L88-W213 HydrophobicContact CG-CH2 4.13Å; L88-W213 HydrophobicContact CG-CZ3 4.37Å
89	Q	93.5	Very high	94.2	Very high	111 Å²	111	41.8 Å²	41.8	52%	0.519	26%	0.263	S	S	.	.	H	α-helix	trans	-62.9	-44.6	171	-72.1	173	-12.2	0	0	112.2	V85 L87 L91 A92	V85-Q89 HydrophobicContact CG1-CG 4.4Å; V85-Q89 WeakPolarHBondContact O-CB 3.16Å; V85-Q89 VanDerWaalsContact O-CG 3.26Å; V85-Q89 WeakPolarHBondContact O-CG 3.38Å; V85-Q89 PolarHBondContact O-N 2.75Å; L87-Q89 VanDerWaalsContact C-N 3.28Å; L87-Q89 PolarHBondContact O-N 3.22Å; Q89-L91 PolarHBondContact O-N 3.02Å; Q89-A92 WeakPolarHBondContact O-CA 3.42Å; Q89-A92 PolarHBondContact O-N 2.92Å
90	A	92.8	Very high	94.1	Very high	65 Å²	65	44.1 Å²	44.1	54%	0.537	28%	0.275	S	S	.	.	H	α-helix	trans	-64.7	-28.1	177.2	0	0	0	0	0	113	G86 L87 A92 Y144	G86-A90 WeakPolarHBondContact O-CB 3.34Å; G86-A90 PolarHBondContact O-N 3.18Å; L87-A90 WeakPolarHBondContact O-CB 3.44Å; L87-A90 PolarHBondContact O-N 2.86Å; L87-A90 VanDerWaalsContact O-N 3.08Å; A90-A92 PolarHBondContact O-N 3.34Å; A90-Y144 HydrophobicContact CB-CD2 3.98Å; A90-Y144 HydrophobicContact CB-CE2 3.89Å
91	L	93.1	Very high	94	Very high	21 Å²	21	45.7 Å²	45.7	11%	0.11	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	4.5	173.2	-66.4	172.5	0	0	0	113.6	L87 L88 Q89 V93 I137 A140	L87-L91 HydrophobicContact CD1-CD1 4.16Å; L87-L91 HydrophobicContact CD1-CG 4.17Å; L87-L91 HydrophobicContact CG-CD1 3.99Å; L87-L91 HydrophobicContact CG-CG 4.42Å; L87-L91 VanDerWaalsContact O-CG 3.32Å; L87-L91 WeakPolarHBondContact O-CG 3.16Å; L87-L91 PolarHBondContact O-N 3.26Å; L88-L91 PolarHBondContact O-N 3.04Å; Q89-L91 PolarHBondContact O-N 3.02Å; L91-V93 VanDerWaalsContact C-N 3.3Å; L91-V93 HydrophobicContact CB-CG2 4.01Å; L91-V93 PolarHBondContact O-N 3.11Å; L91-I137 HydrophobicContact CD1-CG1 4.17Å; L91-I137 HydrophobicContact CD1-CG2 3.94Å; L91-I137 HydrophobicContact CD2-CG1 4.37Å; L91-A140 HydrophobicContact CD2-CB 3.9Å
92	A	93.3	Very high	93.5	Very high	90 Å²	90	53.1 Å²	53.1	74%	0.744	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	40.5	-176	0	0	0	0	0	113.1	L88 Q89 A90	L88-A92 PolarHBondContact O-N 3.16Å; Q89-A92 WeakPolarHBondContact O-CA 3.42Å; Q89-A92 PolarHBondContact O-N 2.92Å; A90-A92 PolarHBondContact O-N 3.34Å
93	V	92.8	Very high	93.3	Very high	15 Å²	15	55.1 Å²	55.1	9%	0.091	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-98.1	127.1	175.2	-176.4	0	0	0	0	109	L88 L91 K107 R111 W213	L88-V93 WeakPolarHBondContact O-CB 3.45Å; L88-V93 PolarHBondContact O-N 3.27Å; L91-V93 VanDerWaalsContact C-N 3.3Å; L91-V93 HydrophobicContact CB-CG2 4.01Å; L91-V93 PolarHBondContact O-N 3.11Å; V93-K107 HydrophobicContact CG2-CB 4.4Å; V93-K107 HydrophobicContact CG2-CD 4.45Å; V93-R111 HydrophobicContact CG1-CB 3.8Å; V93-R111 HydrophobicContact CG1-CG 3.86Å; V93-W213 HydrophobicContact CG1-CH2 4.43Å; V93-W213 WeakPolarHBondContact O-CZ2 3.3Å
94	D	91.4	Very high	93.1	Very high	128 Å²	128	53 Å²	53	68%	0.684	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-80.8	147.8	175.2	-72.5	-44.5	0	0	0	111.4	R111	D94-R111 WeakPolarHBondContact O-CD 3.4Å
95	P	91.8	Very high	93.1	Very high	58 Å²	58	58.3 Å²	58.3	38%	0.377	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-62.9	149.8	174.8	27.4	-33.7	0	0	0	111.1	W213	P95-W213 HydrophobicContact CB-CD2 3.97Å; P95-W213 HydrophobicContact CB-CG 4.19Å; P95-W213 HydrophobicContact CB-CZ2 4.26Å
96	G	91.6	Very high	93.1	Very high	29 Å²	29	59.7 Å²	59.7	30%	0.299	35%	0.348	S	S	.	.			trans	-152.6	-160.8	-177.2	0	0	0	0	0	112.4	I115	G96-I115 WeakPolarHBondContact O-CD1 3.34Å
97	A	92.9	Very high	93.1	Very high	81 Å²	81	63.4 Å²	63.4	67%	0.669	36%	0.363	S	S	*	.			trans	-78.2	143.9	174.7	0	0	0	0	0	111.1
98	G	95	Very high	93.1	Very high	25 Å²	25	67.3 Å²	67.3	26%	0.258	38%	0.383	S	S	.	.			trans	-77.9	131.2	173	0	0	0	0	0	112.5	E112	G98-E112 CarbonylContact C-O 3.33Å; G98-E112 VanDerWaalsContact CA-O 3.32Å; G98-E112 WeakPolarHBondContact CA-O 3.45Å
99	R	96.9	Very high	93.2	Very high	161 Å²	161	68.3 Å²	68.3	61%	0.608	39%	0.389	S	S	*	.			trans	-144.4	131	172.3	178.6	-178.7	179.1	177.4	-0.3	109.6	H101 E112 T113	R99-H101 PolarHBondContact O-CD2 3.49Å; R99-E112 HydrophobicContact CB-CB 4.07Å; R99-E112 PolarHBondContact N-O 3.39Å; R99-E112 CarbonylContact O-C 3.48Å; R99-E112 VanDerWaalsContact O-O 3.12Å; R99-T113 WeakPolarHBondContact O-CA 3.39Å; R99-T113 PolarHBondContact O-N 3.35Å; R99-T113 PolarHBondContact O-OG1 3.42Å
100	D	95.3	Very high	93.4	Very high	62 Å²	62	63.1 Å²	63.1	33%	0.332	37%	0.365	S	S	.	.			trans	-76.6	135.4	175.6	-168.5	20.7	0	0	0	110.7	Y117 R126	D100-Y117 WeakPolarHBondContact OD1-CE2 3.2Å; D100-Y117 PolarHBondContact OD2-OH 2.83Å; D100-R126 VanDerWaalsContact CG-NH2 3.31Å; D100-R126 IonicContact OD1-CZ 3.7Å; D100-R126 IonicContact OD1-NE 2.79Å; D100-R126 IonicContact OD1-NH2 3.33Å; D100-R126 PolarHBondContact OD1-NH2 2.9Å; D100-R126 IonicContact OD2-NH2 3.55Å; D100-R126 PolarHBondContact OD2-NH2 3.24Å; D100-R126 VanDerWaalsContact OD2-NH2 3.13Å
101	H	92.9	Very high	93.6	Very high	32 Å²	32	61.8 Å²	61.8	15%	0.148	35%	0.346	C	S	.	.			trans	-126.7	130.9	173.2	-64.5	-87.3	0	0	0	108	R99 V103 L104 D109 E112 T113 R126	R99-H101 PolarHBondContact O-CD2 3.49Å; H101-V103 VanDerWaalsContact C-N 3.35Å; H101-L104 HydrophobicContact CB-CD2 4.19Å; H101-D109 HydrophobicContact CB-CB 4.42Å; H101-D109 IonicContact CE1-OD1 3.65Å; H101-D109 PolarHBondContact CE1-OD1 3.43Å; H101-D109 IonicContact ND1-OD1 2.98Å; H101-D109 IonicContact NE2-OD1 3.24Å; H101-E112 IonicContact CD2-OE2 3.3Å; H101-E112 IonicContact CE1-OE2 2.67Å; H101-E112 IonicContact NE2-OE2 2.72Å; H101-E112 PolarHBondContact NE2-OE2 3.33Å; H101-T113 WeakPolarHBondContact CB-OG1 3.31Å; H101-T113 PolarHBondContact CD2-OG1 2.86Å; H101-T113 PolarHBondContact N-OG1 3.41Å; H101-T113 VanDerWaalsContact N-OG1 3.08Å; H101-R126 WeakPolarHBondContact O-CD 3.39Å; H101-R126 PolarHBondContact O-NE 3.27Å
102	E	85.8	Confident	93.8	Very high	174 Å²	174	62.6 Å²	62.6	81%	0.813	35%	0.349	S	S	*	.	S	Bend	trans	-68.9	-36.1	179.8	-172.8	176.4	-175.1	0	0	111.8	R126	E102-R126 VanDerWaalsContact O-CD 3.23Å; E102-R126 WeakPolarHBondContact O-CD 3.33Å
103	V	89.6	Confident	94	Very high	48 Å²	48	58.3 Å²	58.3	29%	0.291	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	136	173.8	-179.2	0	0	0	0	108.5	H101 H105 F127	H101-V103 VanDerWaalsContact C-N 3.35Å; V103-H105 VanDerWaalsContact CG1-CE1 3.45Å; V103-H105 WeakPolarHBondContact CG1-CE1 3.36Å; V103-F127 HydrophobicContact CG1-CD1 4Å
104	L	93.1	Very high	94.1	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	118.5	178	-49.2	178.2	0	0	0	109	H101 D109 L110 T113 R126 F127 F128 S129 F224 F226	H101-L104 HydrophobicContact CB-CD2 4.19Å; L104-D109 HydrophobicContact CB-CB 4.39Å; L104-D109 HydrophobicContact CD2-CB 4.1Å; L104-L110 HydrophobicContact CD1-CB 4.27Å; L104-L110 HydrophobicContact CD1-CD1 3.91Å; L104-T113 HydrophobicContact CD2-CG2 4.32Å; L104-R126 HydrophobicContact CD1-CB 3.85Å; L104-R126 HydrophobicContact CD2-CB 4.34Å; L104-R126 HydrophobicContact CD2-CG 4.36Å; L104-R126 HydrophobicContact CG-CB 3.82Å; L104-R126 HydrophobicContact CG-CG 4.38Å; L104-F127 PolarHBondContact N-O 3.26Å; L104-F128 HydrophobicContact CB-CB 4.37Å; L104-F128 HydrophobicContact CB-CD2 3.56Å; L104-F128 HydrophobicContact CB-CE2 4.02Å; L104-F128 HydrophobicContact CB-CG 4.09Å; L104-F128 HydrophobicContact CD1-CD2 3.93Å; L104-F128 HydrophobicContact CG-CD2 4.41Å; L104-F128 CarbonylContact O-C 3.5Å; L104-F128 WeakPolarHBondContact O-CA 3.41Å; L104-S129 PolarHBondContact O-N 2.96Å; L104-S129 PolarHBondContact O-OG 3.46Å; L104-F224 HydrophobicContact CD1-CE1 4.22Å; L104-F224 HydrophobicContact CD1-CZ 4.11Å; L104-F226 HydrophobicContact CD1-CB 3.94Å; L104-F226 HydrophobicContact CD1-CD2 4.33Å; L104-F226 HydrophobicContact CD1-CG 4.13Å
105	H	93.8	Very high	94.4	Very high	111 Å²	111	51.5 Å²	51.5	51%	0.514	28%	0.277	S	S	.	.			trans	-102.6	-15.5	178	-57.7	-60.9	0	0	0	112.2	V103 D109 S129	V103-H105 VanDerWaalsContact CG1-CE1 3.45Å; V103-H105 WeakPolarHBondContact CG1-CE1 3.36Å; H105-D109 WeakPolarHBondContact CA-OD2 3.47Å; H105-D109 WeakPolarHBondContact CB-OD2 3.22Å; H105-D109 PolarHBondContact N-OD2 3.11Å; H105-S129 PolarHBondContact ND1-OG 2.94Å
106	S	95.4	Very high	94.6	Very high	37 Å²	37	50.2 Å²	50.2	26%	0.259	27%	0.265	S	S	.	.	S	Bend	trans	-150.9	170.3	-171.3	69.4	0	0	0	0	113.1	D108 D109 L110	S106-D108 PolarHBondContact O-N 3.4Å; S106-D108 PolarHBondContact OG-N 3.38Å; S106-D109 PolarHBondContact N-OD2 3.09Å; S106-D109 PolarHBondContact O-N 2.88Å; S106-D109 PolarHBondContact OG-N 3.46Å; S106-D109 VanDerWaalsContact OG-N 3.11Å; S106-D109 PolarHBondContact OG-OD1 2.86Å; S106-D109 PolarHBondContact OG-OD2 3.11Å; S106-L110 PolarHBondContact O-N 3.27Å; S106-L110 VanDerWaalsContact O-N 3.11Å
107	K	94.9	Very high	94.7	Very high	82 Å²	82	50.3 Å²	50.3	36%	0.357	26%	0.257	S	S	.	.	H	α-helix	trans	-62.9	-30.9	170.2	-69.4	-175.8	179.3	-174.8	0	112.4	V93 R111 V133 I137	V93-K107 HydrophobicContact CG2-CB 4.4Å; V93-K107 HydrophobicContact CG2-CD 4.45Å; K107-R111 WeakPolarHBondContact O-CB 3.33Å; K107-R111 PolarHBondContact O-N 2.85Å; K107-V133 HydrophobicContact CG-CG1 4.43Å; K107-I137 HydrophobicContact CG-CD1 4.1Å
108	D	95.3	Very high	94.8	Very high	82 Å²	82	46.4 Å²	46.4	44%	0.439	23%	0.225	S	C	.	.	H	α-helix	trans	-69.7	-43.1	177.7	-75.7	-46.9	0	0	0	110.9	S106 L110 R111 E112	S106-D108 PolarHBondContact O-N 3.4Å; S106-D108 PolarHBondContact OG-N 3.38Å; D108-L110 VanDerWaalsContact C-N 3.33Å; D108-L110 PolarHBondContact O-N 3.38Å; D108-R111 WeakPolarHBondContact O-CB 3.47Å; D108-R111 PolarHBondContact O-N 3.31Å; D108-R111 IonicContact OD1-CZ 2.7Å; D108-R111 VanDerWaalsContact OD1-CZ 3.23Å; D108-R111 IonicContact OD1-NH1 2.74Å; D108-R111 PolarHBondContact OD1-NH1 3.2Å; D108-R111 IonicContact OD1-NH2 3.63Å; D108-R111 PolarHBondContact OD1-NH2 3.42Å; D108-E112 WeakPolarHBondContact O-CB 3.46Å; D108-E112 VanDerWaalsContact O-CG 3.26Å; D108-E112 WeakPolarHBondContact O-CG 3.41Å; D108-E112 PolarHBondContact O-N 3.4Å
109	D	96.8	Very high	94.8	Very high	23 Å²	23	49 Å²	49	12%	0.123	23%	0.23	C	C	.	.	H	α-helix	trans	-61.4	-45	174.6	-54.1	-34.4	0	0	0	110.6	H101 L104 H105 S106 R111 E112 T113	H101-D109 HydrophobicContact CB-CB 4.42Å; H101-D109 IonicContact CE1-OD1 3.65Å; H101-D109 PolarHBondContact CE1-OD1 3.43Å; H101-D109 IonicContact ND1-OD1 2.98Å; H101-D109 IonicContact NE2-OD1 3.24Å; L104-D109 HydrophobicContact CB-CB 4.39Å; L104-D109 HydrophobicContact CD2-CB 4.1Å; H105-D109 WeakPolarHBondContact CA-OD2 3.47Å; H105-D109 WeakPolarHBondContact CB-OD2 3.22Å; H105-D109 PolarHBondContact N-OD2 3.11Å; S106-D109 PolarHBondContact N-OD2 3.09Å; S106-D109 PolarHBondContact O-N 2.88Å; S106-D109 PolarHBondContact OG-N 3.46Å; S106-D109 VanDerWaalsContact OG-N 3.11Å; S106-D109 PolarHBondContact OG-OD1 2.86Å; S106-D109 PolarHBondContact OG-OD2 3.11Å; D109-R111 PolarHBondContact O-N 3.46Å; D109-E112 PolarHBondContact O-N 2.77Å; D109-T113 WeakPolarHBondContact O-CB 3.38Å; D109-T113 PolarHBondContact O-N 2.98Å; D109-T113 PolarHBondContact O-OG1 3.29Å; D109-T113 VanDerWaalsContact O-OG1 3.09Å
110	L	96.9	Very high	94.7	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-56.3	-48.4	175.6	171.1	61.2	0	0	0	111.5	L88 L104 S106 D108 F114 F128 I137 F224 F226	L88-L110 HydrophobicContact CD2-CD2 4.11Å; L88-L110 HydrophobicContact CD2-CG 4.11Å; L104-L110 HydrophobicContact CD1-CB 4.27Å; L104-L110 HydrophobicContact CD1-CD1 3.91Å; S106-L110 PolarHBondContact O-N 3.27Å; S106-L110 VanDerWaalsContact O-N 3.11Å; D108-L110 VanDerWaalsContact C-N 3.33Å; D108-L110 PolarHBondContact O-N 3.38Å; L110-F114 WeakPolarHBondContact O-CB 3.35Å; L110-F114 PolarHBondContact O-N 2.61Å; L110-F128 HydrophobicContact CB-CE2 4.18Å; L110-I137 HydrophobicContact CD2-CD1 4.16Å; L110-I137 HydrophobicContact CD2-CG2 4.49Å; L110-F224 HydrophobicContact CD1-CD1 4.32Å; L110-F224 HydrophobicContact CD1-CE1 3.67Å; L110-F226 HydrophobicContact CD1-CD1 3.65Å; L110-F226 HydrophobicContact CD1-CD2 4.44Å; L110-F226 HydrophobicContact CD1-CE1 3.38Å; L110-F226 HydrophobicContact CD1-CE2 4.22Å; L110-F226 HydrophobicContact CD1-CG 4.17Å; L110-F226 HydrophobicContact CD1-CZ 3.69Å; L110-F226 HydrophobicContact CD2-CE1 3.99Å; L110-F226 HydrophobicContact CD2-CE2 4.02Å; L110-F226 HydrophobicContact CD2-CZ 3.48Å; L110-F226 VanDerWaalsContact CD2-CZ 3.48Å; L110-F226 HydrophobicContact CG-CE1 4.35Å; L110-F226 HydrophobicContact CG-CZ 4.25Å
111	R	96.7	Very high	94.3	Very high	37 Å²	37	44.6 Å²	44.6	14%	0.14	21%	0.209	C	C	.	.	H	α-helix	trans	-58.5	-53.7	175.6	172.8	-157.2	63.6	-142	-6.9	111.1	V93 D94 K107 D108 D109 T113 F114 I115 W213	V93-R111 HydrophobicContact CG1-CB 3.8Å; V93-R111 HydrophobicContact CG1-CG 3.86Å; D94-R111 WeakPolarHBondContact O-CD 3.4Å; K107-R111 WeakPolarHBondContact O-CB 3.33Å; K107-R111 PolarHBondContact O-N 2.85Å; D108-R111 WeakPolarHBondContact O-CB 3.47Å; D108-R111 PolarHBondContact O-N 3.31Å; D108-R111 IonicContact OD1-CZ 2.7Å; D108-R111 VanDerWaalsContact OD1-CZ 3.23Å; D108-R111 IonicContact OD1-NH1 2.74Å; D108-R111 PolarHBondContact OD1-NH1 3.2Å; D108-R111 IonicContact OD1-NH2 3.63Å; D108-R111 PolarHBondContact OD1-NH2 3.42Å; D109-R111 PolarHBondContact O-N 3.46Å; R111-T113 VanDerWaalsContact C-N 3.3Å; R111-T113 PolarHBondContact O-N 2.95Å; R111-F114 PolarHBondContact O-N 3.05Å; R111-I115 HydrophobicContact CG-CD1 3.8Å; R111-I115 HydrophobicContact CG-CG1 4.48Å; R111-I115 WeakPolarHBondContact O-CB 3.39Å; R111-I115 WeakPolarHBondContact O-CG1 3.26Å; R111-I115 PolarHBondContact O-N 2.92Å; R111-W213 HydrophobicContact CG-CH2 3.86Å; R111-W213 HydrophobicContact CG-CZ3 4.03Å
112	E	97.6	Very high	94	Very high	39 Å²	39	44.5 Å²	44.5	18%	0.182	21%	0.214	C	C	.	.	H	α-helix	trans	-59.6	-43.8	-174.7	-75.6	177.2	-167.3	0	0	111.3	G98 R99 H101 D108 D109 H116	G98-E112 CarbonylContact C-O 3.33Å; G98-E112 VanDerWaalsContact CA-O 3.32Å; G98-E112 WeakPolarHBondContact CA-O 3.45Å; R99-E112 HydrophobicContact CB-CB 4.07Å; R99-E112 PolarHBondContact N-O 3.39Å; R99-E112 CarbonylContact O-C 3.48Å; R99-E112 VanDerWaalsContact O-O 3.12Å; H101-E112 IonicContact CD2-OE2 3.3Å; H101-E112 IonicContact CE1-OE2 2.67Å; H101-E112 IonicContact NE2-OE2 2.72Å; H101-E112 PolarHBondContact NE2-OE2 3.33Å; D108-E112 WeakPolarHBondContact O-CB 3.46Å; D108-E112 VanDerWaalsContact O-CG 3.26Å; D108-E112 WeakPolarHBondContact O-CG 3.41Å; D108-E112 PolarHBondContact O-N 3.4Å; D109-E112 PolarHBondContact O-N 2.77Å; E112-H116 WeakPolarHBondContact O-CB 3.41Å; E112-H116 PolarHBondContact O-N 2.87Å
113	T	96.7	Very high	93.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-72.2	-41.1	179.7	-59.9	0	0	0	0	111.4	R99 H101 L104 D109 R111 I115 H116 Y117 R126 F224	R99-T113 WeakPolarHBondContact O-CA 3.39Å; R99-T113 PolarHBondContact O-N 3.35Å; R99-T113 PolarHBondContact O-OG1 3.42Å; H101-T113 WeakPolarHBondContact CB-OG1 3.31Å; H101-T113 PolarHBondContact CD2-OG1 2.86Å; H101-T113 PolarHBondContact N-OG1 3.41Å; H101-T113 VanDerWaalsContact N-OG1 3.08Å; L104-T113 HydrophobicContact CD2-CG2 4.32Å; D109-T113 WeakPolarHBondContact O-CB 3.38Å; D109-T113 PolarHBondContact O-N 2.98Å; D109-T113 PolarHBondContact O-OG1 3.29Å; D109-T113 VanDerWaalsContact O-OG1 3.09Å; R111-T113 VanDerWaalsContact C-N 3.3Å; R111-T113 PolarHBondContact O-N 2.95Å; T113-I115 VanDerWaalsContact C-N 3.35Å; T113-I115 PolarHBondContact O-N 2.79Å; T113-H116 WeakPolarHBondContact O-CB 3.17Å; T113-H116 PolarHBondContact O-N 3.32Å; T113-Y117 HydrophobicContact CG2-CD2 3.77Å; T113-Y117 HydrophobicContact CG2-CE2 3.76Å; T113-Y117 VanDerWaalsContact O-CD2 3.31Å; T113-Y117 WeakPolarHBondContact O-CD2 3.4Å; T113-Y117 PolarHBondContact O-N 2.85Å; T113-Y117 VanDerWaalsContact O-N 3.11Å; T113-R126 HydrophobicContact CG2-CG 4.17Å; T113-F224 HydrophobicContact CG2-CE2 3.54Å; T113-F224 HydrophobicContact CG2-CZ 3.73Å
114	F	96.8	Very high	93.5	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-56.9	-48.2	173.5	176.8	-96.6	0	0	0	111.5	V85 L88 L110 R111 H116 Y117 M118 L205 Y207 W213 F224	V85-F114 HydrophobicContact CG2-CE1 4.04Å; V85-F114 HydrophobicContact CG2-CZ 4.29Å; L88-F114 HydrophobicContact CD1-CB 4.01Å; L88-F114 HydrophobicContact CD1-CD1 3.35Å; L88-F114 HydrophobicContact CD1-CE1 3.95Å; L88-F114 HydrophobicContact CD1-CG 3.71Å; L110-F114 WeakPolarHBondContact O-CB 3.35Å; L110-F114 PolarHBondContact O-N 2.61Å; R111-F114 PolarHBondContact O-N 3.05Å; F114-H116 PolarHBondContact O-N 3.49Å; F114-Y117 PolarHBondContact O-N 2.84Å; F114-M118 HydrophobicContact CE1-CB 4.37Å; F114-M118 HydrophobicContact CE1-SD 3.68Å; F114-M118 HydrophobicContact CZ-SD 4.15Å; F114-M118 VanDerWaalsContact O-CB 3.25Å; F114-M118 WeakPolarHBondContact O-CB 3.38Å; F114-M118 PolarHBondContact O-N 3.04Å; F114-L205 HydrophobicContact CD2-CB 4.14Å; F114-L205 HydrophobicContact CD2-CD2 3.99Å; F114-L205 HydrophobicContact CE2-CB 3.85Å; F114-L205 HydrophobicContact CE2-CD2 4.29Å; F114-Y207 AromaticContact CE2-CD1 3.68Å; F114-Y207 HydrophobicContact CE2-CD1 3.68Å; F114-Y207 HydrophobicContact CE2-CE1 4.19Å; F114-Y207 AromaticContact CZ-CD1 3.8Å; F114-Y207 HydrophobicContact CZ-CD1 3.8Å; F114-Y207 HydrophobicContact CZ-CG 4.49Å; F114-W213 HydrophobicContact CD1-CE3 4.46Å; F114-W213 HydrophobicContact CD1-CZ3 4.29Å; F114-W213 HydrophobicContact CE1-CE3 4.47Å; F114-F224 HydrophobicContact CD2-CB 3.86Å; F114-F224 HydrophobicContact CD2-CD1 4.23Å; F114-F224 HydrophobicContact CD2-CG 4.22Å; F114-F224 HydrophobicContact CE2-CB 4.32Å
115	I	96.9	Very high	93.2	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.1	-44.5	177.7	-69.5	175.1	0	0	0	110.8	G96 R111 T113 Y117 M118 E119 W213 T216	G96-I115 WeakPolarHBondContact O-CD1 3.34Å; R111-I115 HydrophobicContact CG-CD1 3.8Å; R111-I115 HydrophobicContact CG-CG1 4.48Å; R111-I115 WeakPolarHBondContact O-CB 3.39Å; R111-I115 WeakPolarHBondContact O-CG1 3.26Å; R111-I115 PolarHBondContact O-N 2.92Å; T113-I115 VanDerWaalsContact C-N 3.35Å; T113-I115 PolarHBondContact O-N 2.79Å; I115-Y117 VanDerWaalsContact C-N 3.27Å; I115-Y117 PolarHBondContact O-N 3.01Å; I115-M118 PolarHBondContact O-N 3.43Å; I115-E119 HydrophobicContact CG2-CG 4.2Å; I115-E119 WeakPolarHBondContact O-CG 3.16Å; I115-E119 PolarHBondContact O-N 2.8Å; I115-W213 HydrophobicContact CD1-CE3 3.98Å; I115-W213 HydrophobicContact CD1-CZ3 3.72Å; I115-W213 HydrophobicContact CG1-CE3 3.87Å; I115-W213 HydrophobicContact CG1-CZ3 3.74Å; I115-T216 HydrophobicContact CG2-CG2 4.18Å; I115-T216 WeakPolarHBondContact CG2-OG1 3.12Å
116	H	96.5	Very high	93	Very high	30 Å²	30	38.7 Å²	38.7	14%	0.139	19%	0.193	C	C	.	.	H	α-helix	trans	-52.6	-46.2	178.1	178.4	92.5	0	0	0	112.2	E112 T113 F114 R120	E112-H116 WeakPolarHBondContact O-CB 3.41Å; E112-H116 PolarHBondContact O-N 2.87Å; T113-H116 WeakPolarHBondContact O-CB 3.17Å; T113-H116 PolarHBondContact O-N 3.32Å; F114-H116 PolarHBondContact O-N 3.49Å; H116-R120 PolarHBondContact CE1-NE 2.94Å; H116-R120 PolarHBondContact CE1-NH2 3.13Å; H116-R120 VanDerWaalsContact CE1-NH2 3.35Å; H116-R120 PolarHBondContact ND1-NH1 3.25Å; H116-R120 PolarHBondContact NE2-NE 2.79Å; H116-R120 WeakPolarHBondContact O-CD 3.38Å; H116-R120 PolarHBondContact O-NH1 2.89Å
117	Y	93.3	Very high	92.7	Very high	31 Å²	31	40.9 Å²	40.9	12%	0.122	20%	0.198	C	C	.	.	H	α-helix	trans	-78.5	-36.9	-179.5	-79.3	-67	0	0	0	113.3	D100 T113 F114 I115 E119 R120 G121 A122 A124 R126 Y207 F224	D100-Y117 WeakPolarHBondContact OD1-CE2 3.2Å; D100-Y117 PolarHBondContact OD2-OH 2.83Å; T113-Y117 HydrophobicContact CG2-CD2 3.77Å; T113-Y117 HydrophobicContact CG2-CE2 3.76Å; T113-Y117 VanDerWaalsContact O-CD2 3.31Å; T113-Y117 WeakPolarHBondContact O-CD2 3.4Å; T113-Y117 PolarHBondContact O-N 2.85Å; T113-Y117 VanDerWaalsContact O-N 3.11Å; F114-Y117 PolarHBondContact O-N 2.84Å; I115-Y117 VanDerWaalsContact C-N 3.27Å; I115-Y117 PolarHBondContact O-N 3.01Å; Y117-E119 PolarHBondContact O-N 3.04Å; Y117-R120 CarbonylContact O-C 3.52Å; Y117-R120 PolarHBondContact O-N 3.04Å; Y117-R120 VanDerWaalsContact O-N 3.16Å; Y117-G121 PolarHBondContact O-N 3.44Å; Y117-A122 HydrophobicContact CD1-CB 3.94Å; Y117-A122 PolarHBondContact O-N 3.38Å; Y117-A124 HydrophobicContact CD1-CB 3.71Å; Y117-A124 HydrophobicContact CD2-CB 3.47Å; Y117-A124 VanDerWaalsContact CD2-CB 3.47Å; Y117-A124 HydrophobicContact CE1-CB 3.55Å; Y117-A124 HydrophobicContact CE2-CB 3.27Å; Y117-A124 HydrophobicContact CG-CB 3.69Å; Y117-R126 PolarHBondContact OH-NH2 2.82Å; Y117-Y207 PolarHBondContact O-OH 3.47Å; Y117-F224 AromaticContact CD2-CD2 3.96Å; Y117-F224 HydrophobicContact CD2-CD2 3.96Å; Y117-F224 AromaticContact CD2-CE2 3.96Å; Y117-F224 HydrophobicContact CD2-CE2 3.96Å; Y117-F224 HydrophobicContact CE2-CE2 4.4Å; Y117-F224 HydrophobicContact CG-CD2 4.45Å
118	M	94.9	Very high	92.6	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-59.2	-46.5	174.6	-176.6	-178	174	0	0	111.5	V85 F114 I115 R120 G121 Y207 E211 T216 A218 P219	V85-M118 HydrophobicContact CG2-CE 3.92Å; V85-M118 HydrophobicContact CG2-SD 3.97Å; F114-M118 HydrophobicContact CE1-CB 4.37Å; F114-M118 HydrophobicContact CE1-SD 3.68Å; F114-M118 HydrophobicContact CZ-SD 4.15Å; F114-M118 VanDerWaalsContact O-CB 3.25Å; F114-M118 WeakPolarHBondContact O-CB 3.38Å; F114-M118 PolarHBondContact O-N 3.04Å; I115-M118 PolarHBondContact O-N 3.43Å; M118-R120 PolarHBondContact O-N 2.83Å; M118-G121 PolarHBondContact O-N 3.17Å; M118-Y207 HydrophobicContact CB-CD1 4.36Å; M118-Y207 HydrophobicContact CB-CE1 4.29Å; M118-Y207 HydrophobicContact CG-CD1 4.37Å; M118-Y207 HydrophobicContact CG-CD2 4.21Å; M118-Y207 HydrophobicContact CG-CG 4.1Å; M118-E211 HydrophobicContact CE-CB 4.13Å; M118-E211 HydrophobicContact CE-CG 4.09Å; M118-E211 WeakPolarHBondContact CE-O 2.8Å; M118-T216 HydrophobicContact CB-CG2 4.27Å; M118-T216 HydrophobicContact CE-CG2 4.3Å; M118-T216 HydrophobicContact CG-CG2 3.97Å; M118-T216 HydrophobicContact SD-CG2 3.83Å; M118-A218 HydrophobicContact CE-CB 4.11Å; M118-A218 HydrophobicContact CG-CB 3.92Å; M118-A218 WeakPolarHBondContact O-CA 3.4Å; M118-P219 WeakPolarHBondContact O-CD 3.12Å
119	E	95.5	Very high	92.5	Very high	78 Å²	78	35.2 Å²	35.2	36%	0.364	18%	0.175	S	C	.	.	H	α-helix	trans	-59.6	-28.2	177.4	-74	177.6	166.6	0	0	113.1	I115 Y117 T216 P219	I115-E119 HydrophobicContact CG2-CG 4.2Å; I115-E119 WeakPolarHBondContact O-CG 3.16Å; I115-E119 PolarHBondContact O-N 2.8Å; Y117-E119 PolarHBondContact O-N 3.04Å; E119-T216 HydrophobicContact CB-CG2 4.45Å; E119-T216 HydrophobicContact CG-CG2 3.33Å; E119-T216 PolarHBondContact OE1-OG1 3Å; E119-P219 WeakPolarHBondContact O-CD 3.45Å
120	R	93.8	Very high	92.3	Very high	131 Å²	131	37.1 Å²	37.1	49%	0.494	19%	0.186	S	C	.	.	H	α-helix	trans	-92.5	-13.6	179	-70.2	163.9	177.8	65	5.1	112.6	H116 Y117 M118 A122	H116-R120 PolarHBondContact CE1-NE 2.94Å; H116-R120 PolarHBondContact CE1-NH2 3.13Å; H116-R120 VanDerWaalsContact CE1-NH2 3.35Å; H116-R120 PolarHBondContact ND1-NH1 3.25Å; H116-R120 PolarHBondContact NE2-NE 2.79Å; H116-R120 WeakPolarHBondContact O-CD 3.38Å; H116-R120 PolarHBondContact O-NH1 2.89Å; Y117-R120 CarbonylContact O-C 3.52Å; Y117-R120 PolarHBondContact O-N 3.04Å; Y117-R120 VanDerWaalsContact O-N 3.16Å; M118-R120 PolarHBondContact O-N 2.83Å; R120-A122 HydrophobicContact CB-CB 3.92Å; R120-A122 PolarHBondContact O-N 2.91Å
121	G	87.8	Confident	92.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	33	-169.5	0	0	0	0	0	112.6	Y117 M118 Q220 N222	Y117-G121 PolarHBondContact O-N 3.44Å; M118-G121 PolarHBondContact O-N 3.17Å; G121-Q220 WeakPolarHBondContact O-CG 3.33Å; G121-Q220 PolarHBondContact O-NE2 3.47Å; G121-N222 PolarHBondContact O-ND2 2.94Å
122	A	85.3	Confident	91.9	Very high	31 Å²	31	46.8 Å²	46.8	26%	0.256	23%	0.23	S	C	.	.			trans	-109.5	147.1	-169.9	0	0	0	0	0	112.4	Y117 R120 Y207	Y117-A122 HydrophobicContact CD1-CB 3.94Å; Y117-A122 PolarHBondContact O-N 3.38Å; R120-A122 HydrophobicContact CB-CB 3.92Å; R120-A122 PolarHBondContact O-N 2.91Å; A122-Y207 PolarHBondContact N-OH 2.97Å; A122-Y207 PolarHBondContact O-OH 3.22Å
123	A	81.6	Confident	91.8	Very high	49 Å²	49	46.1 Å²	46.1	41%	0.405	23%	0.229	S	C	.	.			trans	-70.4	142.9	174.1	0	0	0	0	0	110.8	N222	A123-N222 PolarHBondContact N-ND2 3.21Å; A123-N222 VanDerWaalsContact N-ND2 3.17Å
124	A	84.6	Confident	91.8	Very high	15 Å²	15	46.4 Å²	46.4	12%	0.124	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	162.2	163	0	0	0	0	0	111.5	Y117 F224 I225	Y117-A124 HydrophobicContact CD1-CB 3.71Å; Y117-A124 HydrophobicContact CD2-CB 3.47Å; Y117-A124 VanDerWaalsContact CD2-CB 3.47Å; Y117-A124 HydrophobicContact CE1-CB 3.55Å; Y117-A124 HydrophobicContact CE2-CB 3.27Å; Y117-A124 HydrophobicContact CG-CB 3.69Å; A124-F224 HydrophobicContact CB-CD2 3.88Å; A124-F224 HydrophobicContact CB-CE2 4Å; A124-I225 PolarHBondContact O-N 3.32Å
125	E	87.3	Confident	91.7	Very high	104 Å²	104	49.4 Å²	49.4	49%	0.486	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	141.2	173	-174.1	165.3	176.3	0	0	109.5	I225	E125-I225 CarbonylContact C-O 3.58Å; E125-I225 WeakPolarHBondContact CA-O 3.33Å; E125-I225 HydrophobicContact CB-CB 4.17Å; E125-I225 HydrophobicContact CG-CB 3.93Å; E125-I225 HydrophobicContact CG-CG2 3.98Å
126	R	87.6	Confident	91.5	Very high	42 Å²	42	55.9 Å²	55.9	16%	0.158	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	146.9	-177.1	-66.7	-65.1	-177.5	-94.1	8.6	112.9	D100 H101 E102 L104 T113 Y117 F224 I225 F226 S227	D100-R126 VanDerWaalsContact CG-NH2 3.31Å; D100-R126 IonicContact OD1-CZ 3.7Å; D100-R126 IonicContact OD1-NE 2.79Å; D100-R126 IonicContact OD1-NH2 3.33Å; D100-R126 PolarHBondContact OD1-NH2 2.9Å; D100-R126 IonicContact OD2-NH2 3.55Å; D100-R126 PolarHBondContact OD2-NH2 3.24Å; D100-R126 VanDerWaalsContact OD2-NH2 3.13Å; H101-R126 WeakPolarHBondContact O-CD 3.39Å; H101-R126 PolarHBondContact O-NE 3.27Å; E102-R126 VanDerWaalsContact O-CD 3.23Å; E102-R126 WeakPolarHBondContact O-CD 3.33Å; L104-R126 HydrophobicContact CD1-CB 3.85Å; L104-R126 HydrophobicContact CD2-CB 4.34Å; L104-R126 HydrophobicContact CD2-CG 4.36Å; L104-R126 HydrophobicContact CG-CB 3.82Å; L104-R126 HydrophobicContact CG-CG 4.38Å; T113-R126 HydrophobicContact CG2-CG 4.17Å; Y117-R126 PolarHBondContact OH-NH2 2.82Å; R126-F224 HydrophobicContact CB-CZ 3.99Å; R126-F224 HydrophobicContact CG-CE2 3.79Å; R126-F224 HydrophobicContact CG-CZ 3.64Å; R126-I225 PolarHBondContact N-O 3.17Å; R126-F226 HydrophobicContact CB-CB 4.38Å; R126-F226 WeakPolarHBondContact O-CA 3.15Å; R126-F226 WeakPolarHBondContact O-CB 3.27Å; R126-S227 PolarHBondContact O-N 3.28Å
127	F	89.9	Confident	91.5	Very high	83 Å²	83	54.4 Å²	54.4	36%	0.364	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	136.6	167	-178.3	-112.6	0	0	0	110.5	V103 L104 H228 V230	V103-F127 HydrophobicContact CG1-CD1 4Å; L104-F127 PolarHBondContact N-O 3.26Å; F127-H228 AromaticContact CE2-ND1 3.88Å; F127-H228 AromaticContact CZ-CE1 3.86Å; F127-H228 AromaticContact CZ-ND1 3.59Å; F127-V230 HydrophobicContact CE2-CG2 4.48Å; F127-V230 HydrophobicContact CZ-CG2 4.44Å
128	F	93.9	Very high	91.7	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	114.2	172.5	-160.4	-69.2	0	0	0	109.4	L104 L110 D130 V133 F134 I137 F226 S227 H228	L104-F128 HydrophobicContact CB-CB 4.37Å; L104-F128 HydrophobicContact CB-CD2 3.56Å; L104-F128 HydrophobicContact CB-CE2 4.02Å; L104-F128 HydrophobicContact CB-CG 4.09Å; L104-F128 HydrophobicContact CD1-CD2 3.93Å; L104-F128 HydrophobicContact CG-CD2 4.41Å; L104-F128 CarbonylContact O-C 3.5Å; L104-F128 WeakPolarHBondContact O-CA 3.41Å; L110-F128 HydrophobicContact CB-CE2 4.18Å; F128-D130 WeakPolarHBondContact CD1-O 3.46Å; F128-D130 HydrophobicContact CE1-CB 4.08Å; F128-V133 HydrophobicContact CE1-CB 3.9Å; F128-V133 HydrophobicContact CE1-CG1 3.72Å; F128-V133 HydrophobicContact CZ-CB 4.31Å; F128-V133 HydrophobicContact CZ-CG1 3.6Å; F128-F134 HydrophobicContact CB-CB 4.45Å; F128-F134 HydrophobicContact CB-CD2 3.82Å; F128-F134 HydrophobicContact CB-CG 4.46Å; F128-F134 HydrophobicContact CD1-CB 3.81Å; F128-F134 HydrophobicContact CD1-CD2 4.49Å; F128-F134 HydrophobicContact CE1-CB 4.41Å; F128-F134 HydrophobicContact CG-CB 4.24Å; F128-F134 HydrophobicContact CG-CD2 4.07Å; F128-I137 HydrophobicContact CE2-CD1 3.94Å; F128-I137 HydrophobicContact CZ-CD1 3.95Å; F128-F226 HydrophobicContact CB-CD2 4.04Å; F128-F226 AromaticContact CD2-CD2 3.81Å; F128-F226 HydrophobicContact CD2-CD2 3.81Å; F128-F226 AromaticContact CD2-CE2 3.91Å; F128-F226 HydrophobicContact CD2-CE2 3.91Å; F128-F226 HydrophobicContact CG-CD2 4.3Å; F128-S227 PolarHBondContact N-O 3.23Å; F128-H228 PolarHBondContact O-ND1 3.48Å
129	S	91.4	Very high	91.6	Very high	45 Å²	45	60.4 Å²	60.4	32%	0.315	28%	0.284	S	S	.	.			trans	-77.3	-33.3	-166.6	69.2	0	0	0	0	114.8	L104 H105 K131 H228	L104-S129 PolarHBondContact O-N 2.96Å; L104-S129 PolarHBondContact O-OG 3.46Å; H105-S129 PolarHBondContact ND1-OG 2.94Å; S129-K131 PolarHBondContact O-N 2.87Å; S129-H228 PolarHBondContact O-CE1 3.31Å; S129-H228 VanDerWaalsContact O-CE1 3.28Å; S129-H228 PolarHBondContact O-ND1 2.83Å
130	D	93.2	Very high	91.5	Very high	64 Å²	64	58.3 Å²	58.3	34%	0.342	28%	0.281	S	S	.	.			trans	-85.6	106.2	-177.8	-176.1	-44.9	0	0	0	110.4	F128 E132 V133 F134	F128-D130 WeakPolarHBondContact CD1-O 3.46Å; F128-D130 HydrophobicContact CE1-CB 4.08Å; D130-E132 PolarHBondContact O-N 2.87Å; D130-E132 PolarHBondContact OD1-N 3.48Å; D130-V133 HydrophobicContact CB-CB 4.06Å; D130-V133 HydrophobicContact CB-CG2 4.16Å; D130-V133 VanDerWaalsContact CG-CG2 3.44Å; D130-V133 PolarHBondContact O-N 3.05Å; D130-V133 WeakPolarHBondContact OD1-CG2 3.29Å; D130-V133 PolarHBondContact OD1-N 3.43Å; D130-F134 VanDerWaalsContact O-CB 3.28Å; D130-F134 WeakPolarHBondContact O-CB 3.5Å; D130-F134 PolarHBondContact O-N 3.41Å
131	K	92.6	Very high	91.6	Very high	114 Å²	114	52.1 Å²	52.1	50%	0.496	26%	0.257	S	S	.	.	H	α-helix	trans	-55.5	-47	-178.6	-174.8	172.3	178.9	171.6	0	113	S129 F134 Q135 H228	S129-K131 PolarHBondContact O-N 2.87Å; K131-F134 PolarHBondContact O-N 2.9Å; K131-Q135 WeakPolarHBondContact O-CB 3.27Å; K131-Q135 VanDerWaalsContact O-CG 3.27Å; K131-Q135 WeakPolarHBondContact O-CG 3.42Å; K131-Q135 PolarHBondContact O-N 2.9Å; K131-H228 WeakPolarHBondContact CB-NE2 3.25Å
132	E	93.7	Very high	91.9	Very high	126 Å²	126	53.4 Å²	53.4	59%	0.589	27%	0.268	S	S	*	.	H	α-helix	trans	-71.6	-41.4	-174.3	-66.7	-170.2	-179.7	0	0	111.7	D130 F134 R136	D130-E132 PolarHBondContact O-N 2.87Å; D130-E132 PolarHBondContact OD1-N 3.48Å; E132-F134 VanDerWaalsContact C-N 3.35Å; E132-R136 WeakPolarHBondContact O-CG 3.43Å; E132-R136 PolarHBondContact O-N 2.83Å; E132-R136 VanDerWaalsContact O-N 3.13Å; E132-R136 PolarHBondContact O-NE 3.48Å; E132-R136 IonicContact OE2-NH1 3.23Å
133	V	95.5	Very high	92.3	Very high	25 Å²	25	58.9 Å²	58.9	15%	0.152	29%	0.288	C	S	.	.	H	α-helix	trans	-63.3	-45.3	174.6	176	0	0	0	0	109.8	K107 F128 D130 R136 I137	K107-V133 HydrophobicContact CG-CG1 4.43Å; F128-V133 HydrophobicContact CE1-CB 3.9Å; F128-V133 HydrophobicContact CE1-CG1 3.72Å; F128-V133 HydrophobicContact CZ-CB 4.31Å; F128-V133 HydrophobicContact CZ-CG1 3.6Å; D130-V133 HydrophobicContact CB-CB 4.06Å; D130-V133 HydrophobicContact CB-CG2 4.16Å; D130-V133 VanDerWaalsContact CG-CG2 3.44Å; D130-V133 PolarHBondContact O-N 3.05Å; D130-V133 WeakPolarHBondContact OD1-CG2 3.29Å; D130-V133 PolarHBondContact OD1-N 3.43Å; V133-R136 PolarHBondContact O-N 2.8Å; V133-I137 HydrophobicContact CG1-CD1 3.87Å; V133-I137 WeakPolarHBondContact O-CG1 3.28Å; V133-I137 PolarHBondContact O-N 2.7Å; V133-I137 VanDerWaalsContact O-N 3.07Å
134	F	96	Very high	92.8	Very high	7 Å²	7	59.6 Å²	59.6	3%	0.031	28%	0.281	C	S	.	.	H	α-helix	trans	-58.4	-50.2	176.4	178.3	-98.4	0	0	0	111.8	F128 D130 K131 E132 R136 I137 A138 F201 L203 F226 H228	F128-F134 HydrophobicContact CB-CB 4.45Å; F128-F134 HydrophobicContact CB-CD2 3.82Å; F128-F134 HydrophobicContact CB-CG 4.46Å; F128-F134 HydrophobicContact CD1-CB 3.81Å; F128-F134 HydrophobicContact CD1-CD2 4.49Å; F128-F134 HydrophobicContact CE1-CB 4.41Å; F128-F134 HydrophobicContact CG-CB 4.24Å; F128-F134 HydrophobicContact CG-CD2 4.07Å; D130-F134 VanDerWaalsContact O-CB 3.28Å; D130-F134 WeakPolarHBondContact O-CB 3.5Å; D130-F134 PolarHBondContact O-N 3.41Å; K131-F134 PolarHBondContact O-N 2.9Å; E132-F134 VanDerWaalsContact C-N 3.35Å; F134-R136 VanDerWaalsContact C-N 3.26Å; F134-R136 PolarHBondContact O-N 2.88Å; F134-I137 CarbonylContact O-C 3.52Å; F134-I137 WeakPolarHBondContact O-CA 3.2Å; F134-I137 WeakPolarHBondContact O-CB 3.19Å; F134-I137 PolarHBondContact O-N 3.47Å; F134-A138 HydrophobicContact CE1-CB 4.09Å; F134-A138 HydrophobicContact CZ-CB 4.23Å; F134-A138 WeakPolarHBondContact O-CB 3.49Å; F134-A138 PolarHBondContact O-N 3.13Å; F134-F201 HydrophobicContact CE1-CB 4.31Å; F134-F201 HydrophobicContact CZ-CB 4.28Å; F134-F201 VanDerWaalsContact CZ-O 3.24Å; F134-F201 WeakPolarHBondContact CZ-O 3.41Å; F134-L203 HydrophobicContact CE2-CD1 3.91Å; F134-L203 HydrophobicContact CE2-CG 4.11Å; F134-L203 HydrophobicContact CZ-CD1 4.26Å; F134-L203 HydrophobicContact CZ-CG 4.14Å; F134-F226 AromaticContact CD2-CD2 3.91Å; F134-F226 HydrophobicContact CD2-CD2 3.91Å; F134-F226 AromaticContact CD2-CE2 3.85Å; F134-F226 HydrophobicContact CD2-CE2 3.85Å; F134-F226 AromaticContact CE2-CD2 3.7Å; F134-F226 HydrophobicContact CE2-CD2 3.7Å; F134-F226 AromaticContact CE2-CE2 3.77Å; F134-F226 HydrophobicContact CE2-CE2 3.77Å; F134-H228 HydrophobicContact CB-CB 3.91Å; F134-H228 HydrophobicContact CD1-CB 3.39Å; F134-H228 HydrophobicContact CD2-CB 4.16Å; F134-H228 HydrophobicContact CE1-CB 3.94Å; F134-H228 HydrophobicContact CG-CB 3.52Å
135	Q	93.6	Very high	93.2	Very high	62 Å²	62	64.3 Å²	64.3	29%	0.29	31%	0.31	S	S	.	.	H	α-helix	trans	-58.2	-37.9	179.4	-76.9	179.2	-13.9	0	0	112.6	K131 R139	K131-Q135 WeakPolarHBondContact O-CB 3.27Å; K131-Q135 VanDerWaalsContact O-CG 3.27Å; K131-Q135 WeakPolarHBondContact O-CG 3.42Å; K131-Q135 PolarHBondContact O-N 2.9Å; Q135-R139 WeakPolarHBondContact O-CB 3.39Å; Q135-R139 PolarHBondContact O-N 2.73Å
136	R	94.5	Very high	93.2	Very high	136 Å²	136	62.6 Å²	62.6	51%	0.513	32%	0.321	S	S	.	.	H	α-helix	trans	-64.3	-40.9	173.5	-73.3	-176.7	-71.2	-106	0.5	112	E132 V133 F134 A140	E132-R136 WeakPolarHBondContact O-CG 3.43Å; E132-R136 PolarHBondContact O-N 2.83Å; E132-R136 VanDerWaalsContact O-N 3.13Å; E132-R136 PolarHBondContact O-NE 3.48Å; E132-R136 IonicContact OE2-NH1 3.23Å; V133-R136 PolarHBondContact O-N 2.8Å; F134-R136 VanDerWaalsContact C-N 3.26Å; F134-R136 PolarHBondContact O-N 2.88Å; R136-A140 PolarHBondContact O-N 2.8Å
137	I	96.6	Very high	93.6	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-68.3	-45.4	177.6	-65.6	164.7	0	0	0	110.8	L87 L91 K107 L110 F128 V133 F134 R139 A140 A141 L203 F226	L87-I137 HydrophobicContact CD2-CG2 4.47Å; L91-I137 HydrophobicContact CD1-CG1 4.17Å; L91-I137 HydrophobicContact CD1-CG2 3.94Å; L91-I137 HydrophobicContact CD2-CG1 4.37Å; K107-I137 HydrophobicContact CG-CD1 4.1Å; L110-I137 HydrophobicContact CD2-CD1 4.16Å; L110-I137 HydrophobicContact CD2-CG2 4.49Å; F128-I137 HydrophobicContact CE2-CD1 3.94Å; F128-I137 HydrophobicContact CZ-CD1 3.95Å; V133-I137 HydrophobicContact CG1-CD1 3.87Å; V133-I137 WeakPolarHBondContact O-CG1 3.28Å; V133-I137 PolarHBondContact O-N 2.7Å; V133-I137 VanDerWaalsContact O-N 3.07Å; F134-I137 CarbonylContact O-C 3.52Å; F134-I137 WeakPolarHBondContact O-CA 3.2Å; F134-I137 WeakPolarHBondContact O-CB 3.19Å; F134-I137 PolarHBondContact O-N 3.47Å; I137-R139 VanDerWaalsContact C-N 3.34Å; I137-R139 PolarHBondContact O-N 3.08Å; I137-A140 PolarHBondContact O-N 2.99Å; I137-A141 WeakPolarHBondContact O-CB 3.44Å; I137-A141 PolarHBondContact O-N 3.04Å; I137-L203 HydrophobicContact CG2-CD1 3.78Å; I137-F226 HydrophobicContact CG2-CE2 4.17Å; I137-F226 HydrophobicContact CG2-CZ 3.81Å
138	A	95.8	Very high	93.8	Very high	1 Å²	1	63.4 Å²	63.4	1%	0.008	33%	0.329	C	S	.	.	H	α-helix	trans	-60.6	-42.5	179.3	0	0	0	0	0	112	F134 A141 A142 F201 L203	F134-A138 HydrophobicContact CE1-CB 4.09Å; F134-A138 HydrophobicContact CZ-CB 4.23Å; F134-A138 WeakPolarHBondContact O-CB 3.49Å; F134-A138 PolarHBondContact O-N 3.13Å; A138-A141 PolarHBondContact O-N 3.45Å; A138-A142 WeakPolarHBondContact O-CB 3.45Å; A138-A142 PolarHBondContact O-N 2.9Å; A138-F201 HydrophobicContact CB-CB 3.89Å; A138-F201 HydrophobicContact CB-CD2 3.92Å; A138-F201 HydrophobicContact CB-CG 4.05Å; A138-L203 HydrophobicContact CB-CD1 4.09Å; A138-L203 HydrophobicContact CB-CD2 4.08Å; A138-L203 HydrophobicContact CB-CG 4.48Å
139	R	93.4	Very high	93.9	Very high	155 Å²	155	65.6 Å²	65.6	59%	0.585	34%	0.341	S	S	*	.	H	α-helix	trans	-62.3	-45.7	175.1	-156.4	-176.9	-58.9	176	0.3	111.7	Q135 I137 A141 A142 E143	Q135-R139 WeakPolarHBondContact O-CB 3.39Å; Q135-R139 PolarHBondContact O-N 2.73Å; I137-R139 VanDerWaalsContact C-N 3.34Å; I137-R139 PolarHBondContact O-N 3.08Å; R139-A141 VanDerWaalsContact C-N 3.3Å; R139-A141 PolarHBondContact O-N 2.9Å; R139-A142 PolarHBondContact O-N 3.24Å; R139-E143 WeakPolarHBondContact O-CB 3.33Å; R139-E143 WeakPolarHBondContact O-CG 3.26Å; R139-E143 PolarHBondContact O-N 3.34Å
140	A	94.6	Very high	94.1	Very high	35 Å²	35	66.5 Å²	66.5	29%	0.289	34%	0.338	S	S	.	.	H	α-helix	trans	-62.3	-36.2	175.7	0	0	0	0	0	112.6	L91 R136 I137 Y144	L91-A140 HydrophobicContact CD2-CB 3.9Å; R136-A140 PolarHBondContact O-N 2.8Å; I137-A140 PolarHBondContact O-N 2.99Å; A140-Y144 WeakPolarHBondContact O-CB 3.5Å; A140-Y144 PolarHBondContact O-N 3.39Å; A140-Y144 VanDerWaalsContact O-N 3.15Å
141	A	95.8	Very high	94.2	Very high	0 Å²	0	64 Å²	64	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-69.8	-44.1	176.3	0	0	0	0	0	112.2	V80 V82 L87 I137 A138 R139 E143 Y144 A147 L203	V80-A141 HydrophobicContact CG1-CB 4.07Å; V82-A141 HydrophobicContact CG1-CB 4.45Å; L87-A141 HydrophobicContact CD1-CB 3.88Å; L87-A141 HydrophobicContact CD2-CB 3.88Å; I137-A141 WeakPolarHBondContact O-CB 3.44Å; I137-A141 PolarHBondContact O-N 3.04Å; A138-A141 PolarHBondContact O-N 3.45Å; R139-A141 VanDerWaalsContact C-N 3.3Å; R139-A141 PolarHBondContact O-N 2.9Å; A141-E143 VanDerWaalsContact C-N 3.31Å; A141-E143 PolarHBondContact O-N 2.94Å; A141-Y144 VanDerWaalsContact O-CB 3.3Å; A141-Y144 WeakPolarHBondContact O-CB 3.23Å; A141-Y144 PolarHBondContact O-N 3.09Å; A141-A147 WeakPolarHBondContact O-CB 3.34Å; A141-L203 HydrophobicContact CB-CD1 4.33Å; A141-L203 HydrophobicContact CB-CD2 3.98Å
142	A	93.1	Very high	94.4	Very high	28 Å²	28	58.6 Å²	58.6	23%	0.231	30%	0.301	C	S	.	.	H	α-helix	trans	-65.9	-33.2	178.8	0	0	0	0	0	112.6	A138 R139 L149	A138-A142 WeakPolarHBondContact O-CB 3.45Å; A138-A142 PolarHBondContact O-N 2.9Å; R139-A142 PolarHBondContact O-N 3.24Å; A142-L149 HydrophobicContact CB-CD2 4.42Å
143	E	93	Very high	94.5	Very high	145 Å²	145	53.2 Å²	53.2	68%	0.678	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-6	176.8	-67.2	173	-173.1	0	0	113.3	R139 A141	R139-E143 WeakPolarHBondContact O-CB 3.33Å; R139-E143 WeakPolarHBondContact O-CG 3.26Å; R139-E143 PolarHBondContact O-N 3.34Å; A141-E143 VanDerWaalsContact C-N 3.31Å; A141-E143 PolarHBondContact O-N 2.94Å
144	Y	93.6	Very high	94.6	Very high	65 Å²	65	53 Å²	53	26%	0.255	28%	0.278	S	S	.	.	S	Bend	trans	-65.4	132	-176.3	-175	-91.6	0	0	0	111.3	V82 G86 A90 A140 A141 G146 A147	V82-Y144 HydrophobicContact CG2-CD1 3.49Å; V82-Y144 VanDerWaalsContact CG2-CD1 3.49Å; V82-Y144 HydrophobicContact CG2-CE1 4.12Å; V82-Y144 HydrophobicContact CG2-CG 3.83Å; G86-Y144 WeakPolarHBondContact CA-OH 3.19Å; G86-Y144 WeakPolarHBondContact O-CE2 2.99Å; A90-Y144 HydrophobicContact CB-CD2 3.98Å; A90-Y144 HydrophobicContact CB-CE2 3.89Å; A140-Y144 WeakPolarHBondContact O-CB 3.5Å; A140-Y144 PolarHBondContact O-N 3.39Å; A140-Y144 VanDerWaalsContact O-N 3.15Å; A141-Y144 VanDerWaalsContact O-CB 3.3Å; A141-Y144 WeakPolarHBondContact O-CB 3.23Å; A141-Y144 PolarHBondContact O-N 3.09Å; Y144-G146 PolarHBondContact O-N 2.85Å; Y144-A147 VanDerWaalsContact O-CB 3.24Å; Y144-A147 WeakPolarHBondContact O-CB 3.48Å; Y144-A147 PolarHBondContact O-N 3.29Å
145	P	92.3	Very high	94.7	Very high	113 Å²	113	52.7 Å²	52.7	73%	0.734	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	116.4	178.6	-27.2	35.5	0	0	0	112.8
146	G	88.4	Confident	95	Very high	69 Å²	69	49.8 Å²	49.8	71%	0.711	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.1	3.5	-179	0	0	0	0	0	115	Y144	Y144-G146 PolarHBondContact O-N 2.85Å
147	A	94.1	Very high	95.1	Very high	21 Å²	21	44.4 Å²	44.4	17%	0.174	24%	0.244	C	C	.	.			trans	-58.5	141.6	165	0	0	0	0	0	110.3	V80 V81 V82 A141 Y144 L149	V80-A147 HydrophobicContact CG1-CB 4.37Å; V81-A147 WeakPolarHBondContact O-CA 3.38Å; V82-A147 HydrophobicContact CB-CB 4.47Å; V82-A147 HydrophobicContact CG2-CB 4.43Å; A141-A147 WeakPolarHBondContact O-CB 3.34Å; Y144-A147 VanDerWaalsContact O-CB 3.24Å; Y144-A147 WeakPolarHBondContact O-CB 3.48Å; Y144-A147 PolarHBondContact O-N 3.29Å; A147-L149 HydrophobicContact CB-CD1 4.47Å
148	K	94.6	Very high	95.2	Very high	120 Å²	120	44.4 Å²	44.4	52%	0.522	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	123.6	177.1	-57.7	-177.2	-172.7	171.9	0	108.5	V81 Y150	V81-K148 HydrophobicContact CB-CB 4.41Å; V81-K148 PolarHBondContact N-O 3.37Å; V81-K148 PolarHBondContact O-N 3.21Å; K148-Y150 HydrophobicContact CB-CD2 4.48Å; K148-Y150 HydrophobicContact CB-CE2 3.62Å; K148-Y150 HydrophobicContact CD-CE2 4.5Å; K148-Y150 WeakPolarHBondContact CD-OH 3.13Å
149	L	95.7	Very high	95.4	Very high	46 Å²	46	44.4 Å²	44.4	24%	0.241	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	136.1	177.9	-72.7	72.7	0	0	0	108.8	V78 D79 V80 A142 A147 K179 M183	V78-L149 HydrophobicContact CG1-CB 4.28Å; V78-L149 HydrophobicContact CG1-CD2 4.19Å; V78-L149 HydrophobicContact CG1-CG 4.32Å; D79-L149 CarbonylContact O-C 3.54Å; D79-L149 WeakPolarHBondContact O-CA 3.23Å; V80-L149 HydrophobicContact CG2-CG 4.45Å; A142-L149 HydrophobicContact CB-CD2 4.42Å; A147-L149 HydrophobicContact CB-CD1 4.47Å; L149-K179 HydrophobicContact CD2-CD 4.25Å; L149-K179 VanDerWaalsContact CD2-CE 3.47Å; L149-K179 HydrophobicContact CD2-CG 3.98Å; L149-M183 HydrophobicContact CB-CE 3.85Å; L149-M183 HydrophobicContact CB-SD 4.01Å; L149-M183 HydrophobicContact CD2-SD 4.39Å
150	Y	95.4	Very high	95.6	Very high	64 Å²	64	39.4 Å²	39.4	25%	0.251	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	150.1	175.3	-54.8	-76.6	0	0	0	110.9	D79 V81 K148 G152 M183	D79-Y150 PolarHBondContact N-O 2.04Å; D79-Y150 PolarHBondContact O-N 2.83Å; V81-Y150 HydrophobicContact CB-CE2 4.14Å; V81-Y150 HydrophobicContact CG2-CD2 3.86Å; V81-Y150 HydrophobicContact CG2-CE2 3.67Å; K148-Y150 HydrophobicContact CB-CD2 4.48Å; K148-Y150 HydrophobicContact CB-CE2 3.62Å; K148-Y150 HydrophobicContact CD-CE2 4.5Å; K148-Y150 WeakPolarHBondContact CD-OH 3.13Å; Y150-G152 PolarHBondContact O-N 3.5Å; Y150-M183 VanDerWaalsContact CA-CE 3.46Å
151	V	97.3	Very high	95.8	Very high	12 Å²	12	39.4 Å²	39.4	7%	0.073	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	127.9	162.8	176	0	0	0	0	107.4	A156 L157 L180 M183 L184 R470	V151-A156 HydrophobicContact CG1-CB 3.71Å; V151-L157 WeakPolarHBondContact O-CD2 3.42Å; V151-L180 HydrophobicContact CB-CD1 4.36Å; V151-L180 HydrophobicContact CG1-CD1 4.07Å; V151-L180 HydrophobicContact CG2-CD1 4.07Å; V151-M183 HydrophobicContact CG2-CB 4Å; V151-M183 HydrophobicContact CG2-CE 4.36Å; V151-L184 HydrophobicContact CG1-CD2 4.23Å; V151-L184 HydrophobicContact CG2-CD2 4.39Å; V151-R470 PolarHBondContact O-NH2 3.33Å
152	G	95.9	Very high	95.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	170.6	177.1	0	0	0	0	0	111.2	C77 Y150 A156	C77-G152 PolarHBondContact N-O 3.26Å; C77-G152 CarbonylContact O-C 3.57Å; C77-G152 WeakPolarHBondContact O-CA 3Å; C77-G152 PolarHBondContact O-N 2.92Å; Y150-G152 PolarHBondContact O-N 3.5Å; G152-A156 WeakPolarHBondContact O-CB 3.06Å
153	G	95.8	Very high	96.1	Very high	14 Å²	14	38 Å²	38	14%	0.144	21%	0.21	C	C	.	.	S	Bend	trans	86	131.8	-171.1	0	0	0	0	0	111.9	N75 C77 A155 A156 L157	N75-G153 CarbonylContact O-C 3.51Å; C77-G153 PolarHBondContact SG-N 3.46Å; C77-G153 VanDerWaalsContact SG-N 3.43Å; G153-A155 VanDerWaalsContact C-N 3.34Å; G153-A155 PolarHBondContact O-N 2.76Å; G153-A156 PolarHBondContact O-N 3.31Å; G153-L157 WeakPolarHBondContact O-CB 3.28Å; G153-L157 WeakPolarHBondContact O-CD1 3.45Å; G153-L157 VanDerWaalsContact O-CG 3.29Å; G153-L157 WeakPolarHBondContact O-CG 3.48Å; G153-L157 PolarHBondContact O-N 2.87Å
154	N	97.6	Very high	96.3	Very high	21 Å²	21	35 Å²	35	11%	0.112	20%	0.201	C	C	.	.	H	α-helix	trans	-56.6	-47.6	-174.3	-59	84.4	0	0	0	111.5	N75 A156 L157 I158 S256 H259 D476	N75-N154 PolarHBondContact ND2-N 3.42Å; N75-N154 VanDerWaalsContact ND2-N 3.18Å; N75-N154 PolarHBondContact ND2-OD1 2.89Å; N75-N154 PolarHBondContact OD1-N 3.37Å; N154-A156 PolarHBondContact O-N 3.35Å; N154-L157 PolarHBondContact O-N 3.26Å; N154-I158 WeakPolarHBondContact O-CB 3.41Å; N154-I158 VanDerWaalsContact O-CG1 3.26Å; N154-I158 WeakPolarHBondContact O-CG1 3.25Å; N154-I158 PolarHBondContact O-N 3.49Å; N154-S256 VanDerWaalsContact CB-OG 3.25Å; N154-S256 WeakPolarHBondContact CB-OG 3.24Å; N154-H259 PolarHBondContact OD1-CE1 3.36Å; N154-D476 WeakPolarHBondContact CA-OD1 3.37Å; N154-D476 VanDerWaalsContact CB-OD1 3.27Å; N154-D476 WeakPolarHBondContact CB-OD1 3.21Å; N154-D476 PolarHBondContact ND2-OD1 3.27Å; N154-D476 PolarHBondContact ND2-OD2 3.34Å
155	A	98.4	Very high	96.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.5	-46.7	180	0	0	0	0	0	111.9	V72 G73 N75 G153 L157 I158 G159 L172	V72-A155 HydrophobicContact CG1-CB 3.93Å; V72-A155 WeakPolarHBondContact CG1-O 3.21Å; G73-A155 WeakPolarHBondContact O-CB 3.47Å; N75-A155 VanDerWaalsContact O-CB 3.32Å; N75-A155 WeakPolarHBondContact O-CB 3.25Å; N75-A155 PolarHBondContact O-N 2.87Å; N75-A155 PolarHBondContact OD1-N 3.46Å; G153-A155 VanDerWaalsContact C-N 3.34Å; G153-A155 PolarHBondContact O-N 2.76Å; A155-L157 PolarHBondContact O-N 2.79Å; A155-I158 PolarHBondContact O-N 2.82Å; A155-G159 PolarHBondContact O-N 2.92Å; A155-L172 HydrophobicContact CB-CD1 4.34Å
156	A	98.5	Very high	96.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-64.5	-38.3	177.4	0	0	0	0	0	112.5	N75 A76 V151 G152 G153 N154 G159 Q160 L172	N75-A156 PolarHBondContact O-N 3.21Å; A76-A156 HydrophobicContact CB-CB 3.89Å; V151-A156 HydrophobicContact CG1-CB 3.71Å; G152-A156 WeakPolarHBondContact O-CB 3.06Å; G153-A156 PolarHBondContact O-N 3.31Å; N154-A156 PolarHBondContact O-N 3.35Å; A156-G159 PolarHBondContact O-N 2.79Å; A156-Q160 WeakPolarHBondContact O-CB 3.35Å; A156-Q160 PolarHBondContact O-N 3.27Å; A156-L172 HydrophobicContact CB-CD2 4.01Å
157	L	98.3	Very high	96.8	Very high	24 Å²	24	36.3 Å²	36.3	13%	0.126	19%	0.193	C	C	.	.	H	α-helix	trans	-66.3	-42.2	176.5	-74.5	164.3	0	0	0	112.5	V151 G153 N154 A155 Q160 K161 D476	V151-L157 WeakPolarHBondContact O-CD2 3.42Å; G153-L157 WeakPolarHBondContact O-CB 3.28Å; G153-L157 WeakPolarHBondContact O-CD1 3.45Å; G153-L157 VanDerWaalsContact O-CG 3.29Å; G153-L157 WeakPolarHBondContact O-CG 3.48Å; G153-L157 PolarHBondContact O-N 2.87Å; N154-L157 PolarHBondContact O-N 3.26Å; A155-L157 PolarHBondContact O-N 2.79Å; L157-Q160 PolarHBondContact O-N 2.75Å; L157-K161 WeakPolarHBondContact O-CB 3.49Å; L157-K161 PolarHBondContact O-N 3.28Å; L157-D476 HydrophobicContact CB-CB 3.85Å; L157-D476 WeakPolarHBondContact CD1-OD2 2.81Å
158	I	98.8	Very high	97	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-60.9	-48.1	172.4	-71.9	171.5	0	0	0	109.9	V72 N154 A155 Q160 K161 F162 V254 E292 D476 A480	V72-I158 HydrophobicContact CG1-CB 4.07Å; V72-I158 HydrophobicContact CG1-CG2 3.85Å; V72-I158 HydrophobicContact CG2-CG2 4.24Å; N154-I158 WeakPolarHBondContact O-CB 3.41Å; N154-I158 VanDerWaalsContact O-CG1 3.26Å; N154-I158 WeakPolarHBondContact O-CG1 3.25Å; N154-I158 PolarHBondContact O-N 3.49Å; A155-I158 PolarHBondContact O-N 2.82Å; I158-Q160 PolarHBondContact O-N 3.5Å; I158-K161 WeakPolarHBondContact O-CB 3.24Å; I158-K161 PolarHBondContact O-N 3.36Å; I158-K161 VanDerWaalsContact O-N 3.08Å; I158-F162 HydrophobicContact CG2-CD2 3.64Å; I158-F162 HydrophobicContact CG2-CE2 3.23Å; I158-F162 HydrophobicContact CG2-CZ 4.07Å; I158-F162 WeakPolarHBondContact O-CD2 3.12Å; I158-F162 PolarHBondContact O-N 3.37Å; I158-V254 HydrophobicContact CD1-CG1 3.8Å; I158-V254 HydrophobicContact CG2-CB 4.41Å; I158-V254 HydrophobicContact CG2-CG1 3.98Å; I158-E292 HydrophobicContact CD1-CB 3.84Å; I158-E292 HydrophobicContact CD1-CG 4.18Å; I158-D476 HydrophobicContact CG1-CB 3.83Å; I158-A480 HydrophobicContact CG2-CB 4.13Å
159	G	98.6	Very high	97.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-58.3	-46.9	177.2	0	0	0	0	0	112.5	A155 A156 K161 F162 A163	A155-G159 PolarHBondContact O-N 2.92Å; A156-G159 PolarHBondContact O-N 2.79Å; G159-K161 PolarHBondContact O-N 2.79Å; G159-F162 PolarHBondContact O-N 2.9Å; G159-A163 PolarHBondContact O-N 2.87Å
160	Q	98.1	Very high	97.3	Very high	50 Å²	50	32.3 Å²	32.3	23%	0.234	17%	0.172	C	C	.	.	H	α-helix	trans	-58	-36.9	174.6	-161.4	71.3	22.1	0	0	111.8	A156 L157 I158	A156-Q160 WeakPolarHBondContact O-CB 3.35Å; A156-Q160 PolarHBondContact O-N 3.27Å; L157-Q160 PolarHBondContact O-N 2.75Å; I158-Q160 PolarHBondContact O-N 3.5Å
161	K	98.1	Very high	97.4	Very high	35 Å²	35	29.5 Å²	29.5	15%	0.152	16%	0.162	C	C	.	.	H	α-helix	trans	-72.7	-42.6	178.8	-174.8	57	-171.8	154.4	0	112	L157 I158 G159 A163 T164 A477 A480 E481	L157-K161 WeakPolarHBondContact O-CB 3.49Å; L157-K161 PolarHBondContact O-N 3.28Å; I158-K161 WeakPolarHBondContact O-CB 3.24Å; I158-K161 PolarHBondContact O-N 3.36Å; I158-K161 VanDerWaalsContact O-N 3.08Å; G159-K161 PolarHBondContact O-N 2.79Å; K161-A163 VanDerWaalsContact C-N 3.29Å; K161-A163 PolarHBondContact O-N 2.7Å; K161-T164 HydrophobicContact CD-CG2 4.42Å; K161-T164 PolarHBondContact NZ-OG1 2.87Å; K161-T164 WeakPolarHBondContact O-CB 3.43Å; K161-T164 PolarHBondContact O-N 3.03Å; K161-T164 VanDerWaalsContact O-N 3.14Å; K161-T164 PolarHBondContact O-OG1 3.39Å; K161-A477 HydrophobicContact CD-CB 4.3Å; K161-A477 HydrophobicContact CG-CB 4.12Å; K161-A480 HydrophobicContact CB-CB 3.82Å; K161-A480 HydrophobicContact CG-CB 3.74Å; K161-E481 HydrophobicContact CD-CG 4.49Å; K161-E481 WeakPolarHBondContact CE-OE1 3.49Å; K161-E481 HydrophobicContact CG-CG 4.37Å; K161-E481 IonicContact NZ-OE1 3.97Å; K161-E481 PolarHBondContact NZ-OE1 3.43Å
162	F	98.6	Very high	97.5	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-59.8	-40	173.3	-74	-48.8	0	0	0	112.2	V70 V72 I158 G159 T164 Y165 L168 V170 L252 V254 A480 L483 V484	V70-F162 HydrophobicContact CG1-CD2 3.83Å; V70-F162 HydrophobicContact CG1-CE2 3.62Å; V70-F162 HydrophobicContact CG1-CZ 4.21Å; V72-F162 HydrophobicContact CG2-CD2 3.86Å; V72-F162 HydrophobicContact CG2-CE2 4.02Å; I158-F162 HydrophobicContact CG2-CD2 3.64Å; I158-F162 HydrophobicContact CG2-CE2 3.23Å; I158-F162 HydrophobicContact CG2-CZ 4.07Å; I158-F162 WeakPolarHBondContact O-CD2 3.12Å; I158-F162 PolarHBondContact O-N 3.37Å; G159-F162 PolarHBondContact O-N 2.9Å; F162-T164 PolarHBondContact O-N 3.38Å; F162-Y165 WeakPolarHBondContact O-CB 3.23Å; F162-Y165 PolarHBondContact O-N 3.14Å; F162-L168 HydrophobicContact CB-CD2 3.75Å; F162-L168 HydrophobicContact CD1-CD2 3.66Å; F162-L168 HydrophobicContact CG-CD2 3.98Å; F162-V170 HydrophobicContact CB-CG2 3.57Å; F162-L252 HydrophobicContact CZ-CD2 4.36Å; F162-V254 HydrophobicContact CE2-CG2 3.87Å; F162-V254 HydrophobicContact CZ-CG2 4.16Å; F162-A480 HydrophobicContact CD1-CB 4.26Å; F162-A480 HydrophobicContact CE1-CB 4.01Å; F162-A480 VanDerWaalsContact CE1-O 3.29Å; F162-A480 WeakPolarHBondContact CE1-O 3.35Å; F162-A480 HydrophobicContact CE2-CB 4.42Å; F162-A480 HydrophobicContact CZ-CB 4.1Å; F162-L483 HydrophobicContact CE1-CB 4.13Å; F162-L483 HydrophobicContact CZ-CB 4Å; F162-L483 HydrophobicContact CZ-CD1 3.96Å; F162-V484 HydrophobicContact CD1-CG2 3.46Å; F162-V484 VanDerWaalsContact CD1-CG2 3.46Å; F162-V484 HydrophobicContact CE1-CG2 3.56Å
163	A	97.9	Very high	97.6	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-10.7	177.8	0	0	0	0	0	113.8	G159 K161 Y165 V170 D185 Q187 I188	G159-A163 PolarHBondContact O-N 2.87Å; K161-A163 VanDerWaalsContact C-N 3.29Å; K161-A163 PolarHBondContact O-N 2.7Å; A163-Y165 PolarHBondContact O-N 3.45Å; A163-V170 HydrophobicContact CB-CG2 4.4Å; A163-D185 HydrophobicContact CB-CB 3.68Å; A163-Q187 HydrophobicContact CB-CB 4.43Å; A163-Q187 PolarHBondContact O-NE2 3.43Å; A163-I188 HydrophobicContact CB-CD1 4.02Å; A163-I188 HydrophobicContact CB-CG1 3.7Å
164	T	96.6	Very high	97.7	Very high	80 Å²	80	28.3 Å²	28.3	49%	0.491	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-9.2	169.9	68.6	0	0	0	0	113.7	K161 F162	K161-T164 HydrophobicContact CD-CG2 4.42Å; K161-T164 PolarHBondContact NZ-OG1 2.87Å; K161-T164 WeakPolarHBondContact O-CB 3.43Å; K161-T164 PolarHBondContact O-N 3.03Å; K161-T164 VanDerWaalsContact O-N 3.14Å; K161-T164 PolarHBondContact O-OG1 3.39Å; F162-T164 PolarHBondContact O-N 3.38Å
165	Y	96.8	Very high	97.7	Very high	41 Å²	41	27.3 Å²	27.3	16%	0.161	15%	0.147	C	C	.	.	S	Bend	trans	-100.9	114.2	176.3	-71.6	-89.2	0	0	0	110.7	L62 F162 A163 D167 L168 E481 V484 Y485	L62-Y165 HydrophobicContact CD2-CE1 4.47Å; F162-Y165 WeakPolarHBondContact O-CB 3.23Å; F162-Y165 PolarHBondContact O-N 3.14Å; A163-Y165 PolarHBondContact O-N 3.45Å; Y165-D167 VanDerWaalsContact C-N 3.29Å; Y165-D167 PolarHBondContact O-N 3.34Å; Y165-L168 PolarHBondContact O-N 3.25Å; Y165-L168 VanDerWaalsContact O-N 3.14Å; Y165-E481 VanDerWaalsContact OH-CD 3.25Å; Y165-E481 PolarHBondContact OH-OE1 3.49Å; Y165-E481 PolarHBondContact OH-OE2 3Å; Y165-V484 HydrophobicContact CD1-CG1 4Å; Y165-V484 HydrophobicContact CD2-CG1 4.24Å; Y165-V484 HydrophobicContact CD2-CG2 3.93Å; Y165-V484 HydrophobicContact CE1-CG1 3.71Å; Y165-V484 HydrophobicContact CE2-CB 4.27Å; Y165-V484 HydrophobicContact CE2-CG1 3.96Å; Y165-V484 HydrophobicContact CE2-CG2 3.81Å; Y165-V484 HydrophobicContact CG-CG1 4.26Å; Y165-Y485 VanDerWaalsContact OH-CE2 3.22Å; Y165-Y485 WeakPolarHBondContact OH-CE2 3.19Å
166	P	93.8	Very high	97.7	Very high	100 Å²	100	27.3 Å²	27.3	65%	0.649	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-24.6	-169.3	26.3	-35.5	0	0	0	114.8	L168	P166-L168 VanDerWaalsContact C-N 3.34Å
167	D	94.6	Very high	97.6	Very high	135 Å²	135	27.4 Å²	27.4	72%	0.722	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.4	6.8	-179.6	-59.8	-49.7	0	0	0	112.5	Y165	Y165-D167 VanDerWaalsContact C-N 3.29Å; Y165-D167 PolarHBondContact O-N 3.34Å
168	L	97.3	Very high	97.6	Very high	8 Å²	8	30 Å²	30	4%	0.042	17%	0.165	C	C	.	.			trans	-112.3	108.4	-177.6	-176.9	58.4	0	0	0	110.7	W67 V70 F162 Y165 P166 V170 V484	W67-L168 HydrophobicContact CB-CD1 3.88Å; V70-L168 HydrophobicContact CB-CD1 4.37Å; V70-L168 HydrophobicContact CG2-CD1 3.71Å; V70-L168 HydrophobicContact CG2-CD2 4.39Å; V70-L168 HydrophobicContact CG2-CG 4.46Å; F162-L168 HydrophobicContact CB-CD2 3.75Å; F162-L168 HydrophobicContact CD1-CD2 3.66Å; F162-L168 HydrophobicContact CG-CD2 3.98Å; Y165-L168 PolarHBondContact O-N 3.25Å; Y165-L168 VanDerWaalsContact O-N 3.14Å; P166-L168 VanDerWaalsContact C-N 3.34Å; L168-V170 HydrophobicContact CG-CG2 4.44Å; L168-V484 HydrophobicContact CD2-CG2 4.28Å
169	M	98	Very high	97.5	Very high	94 Å²	94	32.9 Å²	32.9	46%	0.463	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	132.8	173.3	-171.4	177.1	-67	0	0	110.3	T68 K69 V70 F248	T68-M169 WeakPolarHBondContact O-CB 3.45Å; T68-M169 PolarHBondContact O-N 2.98Å; K69-M169 WeakPolarHBondContact CA-O 3.24Å; K69-M169 HydrophobicContact CG-CB 4.28Å; V70-M169 PolarHBondContact N-O 2.92Å; M169-F248 HydrophobicContact CB-CZ 4.47Å; M169-F248 HydrophobicContact CG-CE2 3.86Å; M169-F248 HydrophobicContact CG-CZ 4Å; M169-F248 HydrophobicContact SD-CE2 3.77Å; M169-F248 HydrophobicContact SD-CZ 4.36Å
170	V	98.7	Very high	97.5	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	126.5	-177.1	-175.8	0	0	0	0	109.7	V70 V72 F162 A163 L168 I188 V189	V70-V170 WeakPolarHBondContact O-CA 3.48Å; V72-V170 HydrophobicContact CG2-CG1 4.27Å; F162-V170 HydrophobicContact CB-CG2 3.57Å; A163-V170 HydrophobicContact CB-CG2 4.4Å; L168-V170 HydrophobicContact CG-CG2 4.44Å; V170-I188 HydrophobicContact CB-CG1 4.27Å; V170-I188 HydrophobicContact CG1-CG1 4.31Å; V170-V189 PolarHBondContact O-N 2.9Å
171	L	98.8	Very high	97.5	Very high	6 Å²	6	34.8 Å²	34.8	3%	0.031	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	133.6	163.1	178.9	148.8	0	0	0	109	V70 A71 V72 V189 P191 F241 F248	V70-L171 PolarHBondContact O-N 3.33Å; A71-L171 CarbonylContact C-O 3.49Å; A71-L171 WeakPolarHBondContact CA-O 3.37Å; A71-L171 HydrophobicContact CB-CB 4.33Å; A71-L171 HydrophobicContact CB-CD2 4.08Å; V72-L171 PolarHBondContact N-O 3.16Å; L171-V189 WeakPolarHBondContact CA-O 3.43Å; L171-P191 HydrophobicContact CD1-CG 3.94Å; L171-P191 HydrophobicContact CG-CG 4.19Å; L171-F241 HydrophobicContact CD2-CD2 3.93Å; L171-F241 HydrophobicContact CD2-CE2 3.84Å; L171-F248 HydrophobicContact CB-CD1 3.75Å; L171-F248 HydrophobicContact CB-CD2 3.88Å; L171-F248 HydrophobicContact CB-CE1 3.61Å; L171-F248 HydrophobicContact CB-CE2 3.73Å; L171-F248 HydrophobicContact CB-CG 3.89Å; L171-F248 HydrophobicContact CB-CZ 3.6Å; L171-F248 HydrophobicContact CD1-CB 3.64Å; L171-F248 HydrophobicContact CD1-CD1 4.11Å; L171-F248 HydrophobicContact CD1-CD2 3.76Å; L171-F248 HydrophobicContact CD1-CE2 4.44Å; L171-F248 HydrophobicContact CD1-CG 3.56Å; L171-F248 HydrophobicContact CG-CD2 4.48Å; L171-F248 HydrophobicContact CG-CG 4.36Å
172	L	98.8	Very high	97.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	124.7	173.7	176.4	65.6	0	0	0	109.7	V72 A155 A156 L184 I188 V189 P191	V72-L172 HydrophobicContact CB-CD1 4.35Å; V72-L172 WeakPolarHBondContact O-CA 3.35Å; A155-L172 HydrophobicContact CB-CD1 4.34Å; A156-L172 HydrophobicContact CB-CD2 4.01Å; L172-L184 HydrophobicContact CD2-CD1 3.8Å; L172-L184 HydrophobicContact CD2-CD2 3.83Å; L172-I188 HydrophobicContact CB-CG2 3.49Å; L172-I188 VanDerWaalsContact CB-CG2 3.49Å; L172-I188 HydrophobicContact CD2-CG2 4.17Å; L172-I188 HydrophobicContact CG-CG2 4.49Å; L172-V189 PolarHBondContact N-O 2.72Å; L172-P191 WeakPolarHBondContact O-CD 3.38Å
173	C	98.4	Very high	97.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.221	C	C	.	.			trans	-113.2	145.8	163	-68	0	0	0	0	110.5	V72 G73 V74 S194 F241	V72-C173 PolarHBondContact O-N 3.34Å; V72-C173 VanDerWaalsContact O-N 3.09Å; G73-C173 WeakPolarHBondContact CA-O 3.37Å; V74-C173 WeakPolarHBondContact CA-O 3.47Å; C173-S194 WeakPolarHBondContact CA-OG 3.1Å; C173-F241 HydrophobicContact CB-CB 3.66Å; C173-F241 HydrophobicContact CB-CD2 3.64Å; C173-F241 HydrophobicContact CB-CG 4.09Å
174	G	97.7	Very high	97.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	166.2	179.8	-179.8	0	0	0	0	0	110	V74 V176 S194 S237	V74-G174 WeakPolarHBondContact O-CA 3.46Å; G174-V176 PolarHBondContact O-N 3.15Å; G174-S194 PolarHBondContact N-OG 3.21Å; G174-S194 PolarHBondContact O-OG 3.42Å; G174-S237 WeakPolarHBondContact CA-OG 3.19Å
175	P	97.2	Very high	97.4	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.006	21%	0.214	C	C	.	.			trans	-73.5	79.5	176.8	27	-29.9	0	0	0	110.9	V74 A76 Q196 E200 N232	V74-P175 WeakPolarHBondContact O-CD 3.42Å; A76-P175 WeakPolarHBondContact O-CG 3.42Å; P175-Q196 VanDerWaalsContact CB-NE2 3.31Å; P175-Q196 PolarHBondContact O-NE2 3.36Å; P175-E200 HydrophobicContact CB-CG 3.86Å; P175-E200 HydrophobicContact CG-CG 3.94Å; P175-N232 WeakPolarHBondContact CD-OD1 3.43Å; P175-N232 WeakPolarHBondContact CG-OD1 3.05Å
176	V	98.2	Very high	97.3	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-95.4	102.2	-174.7	-178.5	0	0	0	0	110.2	A76 G174 L180 H181 L184 V190 L195 Q196	A76-V176 HydrophobicContact CB-CG2 4.46Å; G174-V176 PolarHBondContact O-N 3.15Å; V176-L180 HydrophobicContact CG1-CB 4.28Å; V176-L180 HydrophobicContact CG1-CD2 4.44Å; V176-L180 HydrophobicContact CG1-CG 4.25Å; V176-L180 HydrophobicContact CG2-CD2 4.18Å; V176-H181 HydrophobicContact CG1-CB 3.86Å; V176-L184 HydrophobicContact CG1-CD1 4.15Å; V176-V190 HydrophobicContact CB-CG1 4.06Å; V176-V190 HydrophobicContact CG1-CG1 4.2Å; V176-V190 HydrophobicContact CG1-CG2 4.46Å; V176-V190 HydrophobicContact CG2-CG1 4.07Å; V176-L195 HydrophobicContact CB-CD2 4.35Å; V176-L195 HydrophobicContact CG1-CD2 4.01Å; V176-L195 WeakPolarHBondContact O-CA 3.5Å; V176-Q196 WeakPolarHBondContact O-CG 3.44Å; V176-Q196 PolarHBondContact O-N 2.98Å
177	G	97.1	Very high	97.2	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.01	24%	0.236	C	C	.	.			trans	-84	-179.3	171.1	0	0	0	0	0	113.1	K179 L180 H181 D199	G177-K179 VanDerWaalsContact C-N 3.32Å; G177-K179 PolarHBondContact O-N 3.31Å; G177-L180 PolarHBondContact O-N 3.48Å; G177-H181 WeakPolarHBondContact O-CB 3.17Å; G177-H181 PolarHBondContact O-N 3.16Å; G177-D199 WeakPolarHBondContact CA-OD1 3.23Å; G177-D199 PolarHBondContact N-OD1 2.99Å
178	P	97	Very high	97.4	Very high	79 Å²	79	41.4 Å²	41.4	51%	0.513	20%	0.204	S	C	.	.	H	α-helix	trans	-60.9	-37.5	-176.9	-23.9	34.4	0	0	0	113.5	E182 E197	P178-E182 PolarHBondContact O-N 2.94Å; P178-E182 VanDerWaalsContact O-N 3.09Å; P178-E197 WeakPolarHBondContact CD-O 3.1Å
179	K	97	Very high	97.4	Very high	61 Å²	61	44.3 Å²	44.3	27%	0.265	22%	0.222	S	C	.	.	H	α-helix	trans	-74.1	-41.6	-176.8	-173.8	55.9	-176.5	173.9	0	111.6	L149 G177 H181 E182 M183 D199 F201	L149-K179 HydrophobicContact CD2-CD 4.25Å; L149-K179 VanDerWaalsContact CD2-CE 3.47Å; L149-K179 HydrophobicContact CD2-CG 3.98Å; G177-K179 VanDerWaalsContact C-N 3.32Å; G177-K179 PolarHBondContact O-N 3.31Å; K179-H181 VanDerWaalsContact C-N 3.33Å; K179-E182 WeakPolarHBondContact CD-OE2 3.34Å; K179-E182 IonicContact NZ-OE1 3.44Å; K179-E182 PolarHBondContact NZ-OE1 3.27Å; K179-E182 IonicContact NZ-OE2 3.53Å; K179-E182 PolarHBondContact NZ-OE2 2.87Å; K179-E182 PolarHBondContact O-N 2.63Å; K179-M183 HydrophobicContact CD-SD 4.24Å; K179-M183 HydrophobicContact CG-SD 3.95Å; K179-M183 VanDerWaalsContact O-CG 3.23Å; K179-M183 WeakPolarHBondContact O-CG 3.49Å; K179-M183 PolarHBondContact O-N 2.93Å; K179-D199 WeakPolarHBondContact CB-OD2 3.45Å; K179-D199 PolarHBondContact N-OD1 3.36Å; K179-D199 PolarHBondContact N-OD2 2.67Å; K179-F201 HydrophobicContact CB-CZ 4.42Å
180	L	98.2	Very high	97.4	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-62.4	-45.7	174.9	-176.9	52.1	0	0	0	110	A76 V78 V151 V176 G177 E182 M183 L184 D199	A76-L180 HydrophobicContact CB-CD2 3.8Å; V78-L180 HydrophobicContact CG2-CB 3.7Å; V78-L180 HydrophobicContact CG2-CD1 4.24Å; V78-L180 HydrophobicContact CG2-CG 4.46Å; V151-L180 HydrophobicContact CB-CD1 4.36Å; V151-L180 HydrophobicContact CG1-CD1 4.07Å; V151-L180 HydrophobicContact CG2-CD1 4.07Å; V176-L180 HydrophobicContact CG1-CB 4.28Å; V176-L180 HydrophobicContact CG1-CD2 4.44Å; V176-L180 HydrophobicContact CG1-CG 4.25Å; V176-L180 HydrophobicContact CG2-CD2 4.18Å; G177-L180 PolarHBondContact O-N 3.48Å; L180-E182 VanDerWaalsContact C-N 3.31Å; L180-E182 PolarHBondContact O-N 3.3Å; L180-M183 WeakPolarHBondContact O-CA 3.29Å; L180-M183 WeakPolarHBondContact O-CB 3.42Å; L180-M183 PolarHBondContact O-N 3.45Å; L180-L184 HydrophobicContact CD1-CD2 4.32Å; L180-L184 HydrophobicContact CD1-CG 4.29Å; L180-L184 HydrophobicContact CG-CD1 4.36Å; L180-L184 HydrophobicContact CG-CG 4.36Å; L180-L184 WeakPolarHBondContact O-CG 3.34Å; L180-L184 PolarHBondContact O-N 2.88Å; L180-D199 VanDerWaalsContact CB-OD1 3.28Å; L180-D199 WeakPolarHBondContact CB-OD1 3.24Å; L180-D199 PolarHBondContact N-OD1 3.35Å
181	H	98.1	Very high	97.4	Very high	88 Å²	88	41.1 Å²	41.1	41%	0.407	21%	0.208	S	C	.	.	H	α-helix	trans	-58.6	-40.5	178.1	-168.3	-149.3	0	0	0	112.8	V176 G177 K179 M183 L184 L195	V176-H181 HydrophobicContact CG1-CB 3.86Å; G177-H181 WeakPolarHBondContact O-CB 3.17Å; G177-H181 PolarHBondContact O-N 3.16Å; K179-H181 VanDerWaalsContact C-N 3.33Å; H181-M183 PolarHBondContact O-N 2.86Å; H181-L184 PolarHBondContact O-N 2.81Å; H181-L195 HydrophobicContact CB-CD2 4.46Å
182	E	97.3	Very high	97.2	Very high	139 Å²	139	45.6 Å²	45.6	65%	0.65	24%	0.237	S	C	*	.	H	α-helix	trans	-61	-31.1	173.2	-172.6	-156.5	138.2	0	0	112.9	P178 K179 L180	P178-E182 PolarHBondContact O-N 2.94Å; P178-E182 VanDerWaalsContact O-N 3.09Å; K179-E182 WeakPolarHBondContact CD-OE2 3.34Å; K179-E182 IonicContact NZ-OE1 3.44Å; K179-E182 PolarHBondContact NZ-OE1 3.27Å; K179-E182 IonicContact NZ-OE2 3.53Å; K179-E182 PolarHBondContact NZ-OE2 2.87Å; K179-E182 PolarHBondContact O-N 2.63Å; L180-E182 VanDerWaalsContact C-N 3.31Å; L180-E182 PolarHBondContact O-N 3.3Å
183	M	97.6	Very high	97.1	Very high	44 Å²	44	52.5 Å²	52.5	22%	0.217	27%	0.27	C	S	.	.	H	α-helix	trans	-90.5	-19.2	-174.6	-68.8	170.8	57	0	0	113.9	V78 L149 Y150 V151 K179 L180 H181	V78-M183 HydrophobicContact CG1-CE 4.32Å; V78-M183 HydrophobicContact CG1-SD 4.08Å; L149-M183 HydrophobicContact CB-CE 3.85Å; L149-M183 HydrophobicContact CB-SD 4.01Å; L149-M183 HydrophobicContact CD2-SD 4.39Å; Y150-M183 VanDerWaalsContact CA-CE 3.46Å; V151-M183 HydrophobicContact CG2-CB 4Å; V151-M183 HydrophobicContact CG2-CE 4.36Å; K179-M183 HydrophobicContact CD-SD 4.24Å; K179-M183 HydrophobicContact CG-SD 3.95Å; K179-M183 VanDerWaalsContact O-CG 3.23Å; K179-M183 WeakPolarHBondContact O-CG 3.49Å; K179-M183 PolarHBondContact O-N 2.93Å; L180-M183 WeakPolarHBondContact O-CA 3.29Å; L180-M183 WeakPolarHBondContact O-CB 3.42Å; L180-M183 PolarHBondContact O-N 3.45Å; H181-M183 PolarHBondContact O-N 2.86Å
184	L	98.3	Very high	97.1	Very high	14 Å²	14	52.8 Å²	52.8	7%	0.073	27%	0.272	C	S	.	.	S	Bend	trans	-68.3	153.3	176.3	-71.1	171.7	0	0	0	110.8	V151 L172 V176 L180 H181 I188 V190	V151-L184 HydrophobicContact CG1-CD2 4.23Å; V151-L184 HydrophobicContact CG2-CD2 4.39Å; L172-L184 HydrophobicContact CD2-CD1 3.8Å; L172-L184 HydrophobicContact CD2-CD2 3.83Å; V176-L184 HydrophobicContact CG1-CD1 4.15Å; L180-L184 HydrophobicContact CD1-CD2 4.32Å; L180-L184 HydrophobicContact CD1-CG 4.29Å; L180-L184 HydrophobicContact CG-CD1 4.36Å; L180-L184 HydrophobicContact CG-CG 4.36Å; L180-L184 WeakPolarHBondContact O-CG 3.34Å; L180-L184 PolarHBondContact O-N 2.88Å; H181-L184 PolarHBondContact O-N 2.81Å; L184-I188 HydrophobicContact CB-CD1 4.28Å; L184-I188 HydrophobicContact CD2-CD1 3.95Å; L184-V190 HydrophobicContact CD1-CG2 3.83Å
185	D	97.3	Very high	97	Very high	54 Å²	54	56.3 Å²	56.3	29%	0.289	29%	0.29	S	S	.	.			trans	-64.7	143	173.2	-163.7	-83.9	0	0	0	110.6	A163 Q187 I188	A163-D185 HydrophobicContact CB-CB 3.68Å; D185-Q187 PolarHBondContact O-N 3.36Å; D185-Q187 VanDerWaalsContact O-N 3.08Å; D185-Q187 WeakPolarHBondContact OD1-CB 3.28Å; D185-Q187 WeakPolarHBondContact OD1-CG 3.34Å; D185-Q187 PolarHBondContact OD1-N 3.23Å; D185-Q187 PolarHBondContact OD1-NE2 2.94Å; D185-I188 HydrophobicContact CB-CD1 4.14Å; D185-I188 HydrophobicContact CB-CG1 4.21Å; D185-I188 WeakPolarHBondContact O-CB 3.17Å; D185-I188 PolarHBondContact O-N 2.89Å
186	E	93.4	Very high	96.9	Very high	201 Å²	201	59 Å²	59	94%	0.939	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-19.7	-179.3	-64.4	-177.7	174.1	0	0	113.3	I188	E186-I188 VanDerWaalsContact C-N 3.28Å
187	Q	92.8	Very high	96.7	Very high	68 Å²	68	67.7 Å²	67.7	32%	0.318	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-12.2	175.5	-66.5	171.1	95.8	0	0	113.7	A163 D185 V189	A163-Q187 HydrophobicContact CB-CB 4.43Å; A163-Q187 PolarHBondContact O-NE2 3.43Å; D185-Q187 PolarHBondContact O-N 3.36Å; D185-Q187 VanDerWaalsContact O-N 3.08Å; D185-Q187 WeakPolarHBondContact OD1-CB 3.28Å; D185-Q187 WeakPolarHBondContact OD1-CG 3.34Å; D185-Q187 PolarHBondContact OD1-N 3.23Å; D185-Q187 PolarHBondContact OD1-NE2 2.94Å; Q187-V189 PolarHBondContact O-N 3.42Å
188	I	98.1	Very high	96.5	Very high	10 Å²	10	70.7 Å²	70.7	5%	0.051	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	116	178.7	-60.4	174.4	0	0	0	108.9	A163 V170 L172 L184 D185 E186 V190	A163-I188 HydrophobicContact CB-CD1 4.02Å; A163-I188 HydrophobicContact CB-CG1 3.7Å; V170-I188 HydrophobicContact CB-CG1 4.27Å; V170-I188 HydrophobicContact CG1-CG1 4.31Å; L172-I188 HydrophobicContact CB-CG2 3.49Å; L172-I188 VanDerWaalsContact CB-CG2 3.49Å; L172-I188 HydrophobicContact CD2-CG2 4.17Å; L172-I188 HydrophobicContact CG-CG2 4.49Å; L184-I188 HydrophobicContact CB-CD1 4.28Å; L184-I188 HydrophobicContact CD2-CD1 3.95Å; D185-I188 HydrophobicContact CB-CD1 4.14Å; D185-I188 HydrophobicContact CB-CG1 4.21Å; D185-I188 WeakPolarHBondContact O-CB 3.17Å; D185-I188 PolarHBondContact O-N 2.89Å; E186-I188 VanDerWaalsContact C-N 3.28Å; I188-V190 HydrophobicContact CG2-CG2 4.18Å
189	V	98.1	Very high	96.4	Very high	69 Å²	69	68 Å²	68	42%	0.418	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	115.9	173.1	-176.8	0	0	0	0	108.6	V170 L171 L172 Q187	V170-V189 PolarHBondContact O-N 2.9Å; L171-V189 WeakPolarHBondContact CA-O 3.43Å; L172-V189 PolarHBondContact N-O 2.72Å; Q187-V189 PolarHBondContact O-N 3.42Å
190	V	98.4	Very high	96.3	Very high	15 Å²	15	66 Å²	66	9%	0.091	33%	0.334	C	S	.	.			trans	-103.4	117.1	170.9	-176	0	0	0	0	108.2	V176 L184 I188 L195	V176-V190 HydrophobicContact CB-CG1 4.06Å; V176-V190 HydrophobicContact CG1-CG1 4.2Å; V176-V190 HydrophobicContact CG1-CG2 4.46Å; V176-V190 HydrophobicContact CG2-CG1 4.07Å; L184-V190 HydrophobicContact CD1-CG2 3.83Å; I188-V190 HydrophobicContact CG2-CG2 4.18Å; V190-L195 HydrophobicContact CB-CD2 4.29Å; V190-L195 HydrophobicContact CG1-CD2 3.71Å; V190-L195 HydrophobicContact CG1-CG 4.17Å
191	P	97	Very high	96.3	Very high	13 Å²	13	67.6 Å²	67.6	8%	0.084	34%	0.341	C	S	.	.			trans	-57.8	141.2	176.8	-27.7	37.8	0	0	0	111.5	L171 L172 E193 S194 L195	L171-P191 HydrophobicContact CD1-CG 3.94Å; L171-P191 HydrophobicContact CG-CG 4.19Å; L172-P191 WeakPolarHBondContact O-CD 3.38Å; P191-E193 PolarHBondContact O-N 3.36Å; P191-E193 VanDerWaalsContact O-N 3.13Å; P191-S194 WeakPolarHBondContact O-CA 3.48Å; P191-S194 WeakPolarHBondContact O-CB 3.49Å; P191-S194 PolarHBondContact O-N 2.71Å; P191-L195 PolarHBondContact O-N 3.14Å
192	P	96.4	Very high	96.1	Very high	100 Å²	100	64.3 Å²	64.3	65%	0.649	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-53.3	-34.6	178.3	-27.4	35.5	0	0	0	113.8	S194 L195	P192-S194 PolarHBondContact O-N 2.72Å; P192-L195 WeakPolarHBondContact O-CB 3.46Å; P192-L195 PolarHBondContact O-N 2.91Å
193	E	96.3	Very high	96.1	Very high	144 Å²	144	57.7 Å²	57.7	67%	0.673	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-69	-16.5	177.7	-62.3	74.5	-163.3	0	0	113.2	P191 T240	P191-E193 PolarHBondContact O-N 3.36Å; P191-E193 VanDerWaalsContact O-N 3.13Å; E193-T240 HydrophobicContact CB-CG2 3.61Å
194	S	96.8	Very high	96	Very high	6 Å²	6	56.3 Å²	56.3	4%	0.042	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-95.6	-7.6	175	-162.6	0	0	0	0	112.9	C173 G174 P191 P192	C173-S194 WeakPolarHBondContact CA-OG 3.1Å; G174-S194 PolarHBondContact N-OG 3.21Å; G174-S194 PolarHBondContact O-OG 3.42Å; P191-S194 WeakPolarHBondContact O-CA 3.48Å; P191-S194 WeakPolarHBondContact O-CB 3.49Å; P191-S194 PolarHBondContact O-N 2.71Å; P192-S194 PolarHBondContact O-N 2.72Å
195	L	96.9	Very high	95.9	Very high	75 Å²	75	55.6 Å²	55.6	39%	0.393	29%	0.285	S	S	.	.	B	Isolated β-bridge	trans	-79.8	139	174.7	-65.1	173.9	0	0	0	110.3	V176 H181 V190 P191 P192	V176-L195 HydrophobicContact CB-CD2 4.35Å; V176-L195 HydrophobicContact CG1-CD2 4.01Å; V176-L195 WeakPolarHBondContact O-CA 3.5Å; H181-L195 HydrophobicContact CB-CD2 4.46Å; V190-L195 HydrophobicContact CB-CD2 4.29Å; V190-L195 HydrophobicContact CG1-CD2 3.71Å; V190-L195 HydrophobicContact CG1-CG 4.17Å; P191-L195 PolarHBondContact O-N 3.14Å; P192-L195 WeakPolarHBondContact O-CB 3.46Å; P192-L195 PolarHBondContact O-N 2.91Å
196	Q	95	Very high	95.8	Very high	56 Å²	56	58 Å²	58	26%	0.262	29%	0.294	S	S	.	.			trans	-129.3	163.4	177.5	57.9	180	30.6	0	0	112.3	P175 V176 T198	P175-Q196 VanDerWaalsContact CB-NE2 3.31Å; P175-Q196 PolarHBondContact O-NE2 3.36Å; V176-Q196 WeakPolarHBondContact O-CG 3.44Å; V176-Q196 PolarHBondContact O-N 2.98Å; Q196-T198 VanDerWaalsContact C-N 3.34Å; Q196-T198 VanDerWaalsContact CD-O 3.31Å; Q196-T198 WeakPolarHBondContact CG-O 3.45Å; Q196-T198 PolarHBondContact NE2-O 2.77Å; Q196-T198 PolarHBondContact O-N 2.58Å
197	E	93.3	Very high	95.7	Very high	183 Å²	183	48.6 Å²	48.6	86%	0.855	25%	0.25	S	S	*	.	S	Bend	trans	-70.6	-28.2	-175.8	-65.6	-173.4	169.1	0	0	113.6	P178	P178-E197 WeakPolarHBondContact CD-O 3.1Å
198	T	92.6	Very high	95.7	Very high	65 Å²	65	52.7 Å²	52.7	40%	0.399	27%	0.267	S	S	.	.	S	Bend	trans	-130.8	138.4	-175.3	58	0	0	0	0	111.1	Q196	Q196-T198 VanDerWaalsContact C-N 3.34Å; Q196-T198 VanDerWaalsContact CD-O 3.31Å; Q196-T198 WeakPolarHBondContact CG-O 3.45Å; Q196-T198 PolarHBondContact NE2-O 2.77Å; Q196-T198 PolarHBondContact O-N 2.58Å
199	D	95.3	Very high	95.3	Very high	21 Å²	21	55.3 Å²	55.3	11%	0.112	29%	0.29	C	S	.	.			trans	-71.5	149	172.6	-59.6	-85.8	0	0	0	112.5	V78 G177 K179 L180 F201	V78-D199 HydrophobicContact CG2-CB 4.15Å; G177-D199 WeakPolarHBondContact CA-OD1 3.23Å; G177-D199 PolarHBondContact N-OD1 2.99Å; K179-D199 WeakPolarHBondContact CB-OD2 3.45Å; K179-D199 PolarHBondContact N-OD1 3.36Å; K179-D199 PolarHBondContact N-OD2 2.67Å; L180-D199 VanDerWaalsContact CB-OD1 3.28Å; L180-D199 WeakPolarHBondContact CB-OD1 3.24Å; L180-D199 PolarHBondContact N-OD1 3.35Å; D199-F201 HydrophobicContact CB-CD2 4.18Å; D199-F201 HydrophobicContact CB-CE1 4.35Å; D199-F201 HydrophobicContact CB-CE2 3.75Å; D199-F201 HydrophobicContact CB-CZ 3.84Å; D199-F201 PolarHBondContact O-N 3.29Å
200	E	96	Very high	95.1	Very high	20 Å²	20	53.9 Å²	53.9	9%	0.093	29%	0.289	C	S	.	.			trans	-78.7	113.4	161.1	-64.8	-62.2	168.9	0	0	108.8	C77 V78 P175 S231	C77-E200 CarbonylContact C-O 3.55Å; C77-E200 WeakPolarHBondContact CA-O 3.33Å; C77-E200 HydrophobicContact CB-CB 4.09Å; C77-E200 VanDerWaalsContact CB-O 3.25Å; C77-E200 WeakPolarHBondContact CB-O 3.49Å; V78-E200 PolarHBondContact N-O 2.99Å; P175-E200 HydrophobicContact CB-CG 3.86Å; P175-E200 HydrophobicContact CG-CG 3.94Å; E200-S231 VanDerWaalsContact OE1-CB 3.24Å; E200-S231 WeakPolarHBondContact OE1-CB 3.42Å; E200-S231 PolarHBondContact OE1-OG 3.14Å
201	F	96.5	Very high	95	Very high	34 Å²	34	55.1 Å²	55.1	15%	0.149	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	136.3	179.1	-73.6	-73.3	0	0	0	111.1	V78 V80 F134 A138 K179 D199 L203 S227	V78-F201 HydrophobicContact CB-CD1 3.66Å; V78-F201 HydrophobicContact CB-CE1 3.73Å; V78-F201 HydrophobicContact CG1-CD1 3.9Å; V78-F201 HydrophobicContact CG1-CE1 3.73Å; V78-F201 HydrophobicContact CG2-CE1 4.25Å; V78-F201 WeakPolarHBondContact O-CA 3.37Å; V80-F201 HydrophobicContact CG2-CD1 3.56Å; V80-F201 HydrophobicContact CG2-CE1 4.13Å; V80-F201 HydrophobicContact CG2-CG 4.49Å; F134-F201 HydrophobicContact CE1-CB 4.31Å; F134-F201 HydrophobicContact CZ-CB 4.28Å; F134-F201 VanDerWaalsContact CZ-O 3.24Å; F134-F201 WeakPolarHBondContact CZ-O 3.41Å; A138-F201 HydrophobicContact CB-CB 3.89Å; A138-F201 HydrophobicContact CB-CD2 3.92Å; A138-F201 HydrophobicContact CB-CG 4.05Å; K179-F201 HydrophobicContact CB-CZ 4.42Å; D199-F201 HydrophobicContact CB-CD2 4.18Å; D199-F201 HydrophobicContact CB-CE1 4.35Å; D199-F201 HydrophobicContact CB-CE2 3.75Å; D199-F201 HydrophobicContact CB-CZ 3.84Å; D199-F201 PolarHBondContact O-N 3.29Å; F201-L203 HydrophobicContact CB-CD2 4.18Å; F201-S227 WeakPolarHBondContact O-CB 3.5Å
202	H	95.8	Very high	94.9	Very high	19 Å²	19	60.4 Å²	60.4	9%	0.088	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	113.6	170.6	-77.2	-147.6	0	0	0	108.1	V78 D79 V80 D229	V78-H202 PolarHBondContact O-N 2.88Å; D79-H202 WeakPolarHBondContact OD1-CB 3.32Å; V80-H202 PolarHBondContact N-O 2.87Å; H202-D229 IonicContact CD2-OD2 3.59Å; H202-D229 IonicContact CE1-OD2 3.86Å; H202-D229 IonicContact NE2-OD2 3.06Å; H202-D229 PolarHBondContact NE2-OD2 3.31Å
203	L	96.8	Very high	94.9	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	113.7	-173.4	-55.2	-173.7	0	0	0	109.7	V80 F134 I137 A138 A141 F201 L205 I225 F226	V80-L203 HydrophobicContact CB-CD2 3.7Å; V80-L203 HydrophobicContact CG1-CD2 4.35Å; V80-L203 HydrophobicContact CG2-CD2 3.84Å; F134-L203 HydrophobicContact CE2-CD1 3.91Å; F134-L203 HydrophobicContact CE2-CG 4.11Å; F134-L203 HydrophobicContact CZ-CD1 4.26Å; F134-L203 HydrophobicContact CZ-CG 4.14Å; I137-L203 HydrophobicContact CG2-CD1 3.78Å; A138-L203 HydrophobicContact CB-CD1 4.09Å; A138-L203 HydrophobicContact CB-CD2 4.08Å; A138-L203 HydrophobicContact CB-CG 4.48Å; A141-L203 HydrophobicContact CB-CD1 4.33Å; A141-L203 HydrophobicContact CB-CD2 3.98Å; F201-L203 HydrophobicContact CB-CD2 4.18Å; L203-L205 HydrophobicContact CB-CD1 3.89Å; L203-I225 VanDerWaalsContact O-CA 3.29Å; L203-I225 WeakPolarHBondContact O-CA 3.39Å; L203-F226 HydrophobicContact CB-CD1 4.16Å; L203-F226 HydrophobicContact CB-CE1 3.85Å; L203-F226 HydrophobicContact CB-CE2 4.5Å; L203-F226 HydrophobicContact CB-CZ 4.03Å; L203-F226 HydrophobicContact CD1-CE1 4.19Å; L203-F226 HydrophobicContact CD1-CE2 3.73Å; L203-F226 HydrophobicContact CD1-CZ 3.51Å; L203-F226 HydrophobicContact CG-CZ 4.34Å; L203-F226 PolarHBondContact N-O 2.95Å; L203-F226 PolarHBondContact O-N 3.04Å
204	I	95.6	Very high	94.7	Very high	15 Å²	15	52 Å²	52	8%	0.077	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	99.7	-177.4	-55	175.8	0	0	0	108.2	D79 V80 V81 V82 E206 R223 I225	D79-I204 HydrophobicContact CB-CD1 3.98Å; V80-I204 PolarHBondContact O-N 3.43Å; V81-I204 WeakPolarHBondContact CA-O 3.49Å; V81-I204 HydrophobicContact CG2-CB 4.08Å; V81-I204 HydrophobicContact CG2-CD1 4Å; V81-I204 HydrophobicContact CG2-CG2 4.32Å; V82-I204 PolarHBondContact N-O 3.29Å; I204-E206 HydrophobicContact CG2-CG 4.41Å; I204-E206 PolarHBondContact O-N 3.36Å; I204-R223 HydrophobicContact CG2-CB 3.88Å; I204-R223 HydrophobicContact CG2-CG 3.98Å; I204-I225 HydrophobicContact CB-CG1 4.49Å; I204-I225 HydrophobicContact CG1-CD1 4.28Å; I204-I225 HydrophobicContact CG1-CG1 4.13Å; I204-I225 HydrophobicContact CG1-CG2 4.39Å; I204-I225 HydrophobicContact CG2-CG1 4.28Å
205	L	96	Very high	94.5	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	100.1	-178.5	-82	61.1	0	0	0	109.4	V82 L87 F114 L203 R223 F224 F226	V82-L205 HydrophobicContact CG1-CD1 4.08Å; V82-L205 HydrophobicContact CG1-CG 4.32Å; V82-L205 WeakPolarHBondContact O-CA 3.48Å; L87-L205 HydrophobicContact CD2-CD1 3.9Å; L87-L205 HydrophobicContact CD2-CD2 4.2Å; L87-L205 HydrophobicContact CD2-CG 4.11Å; F114-L205 HydrophobicContact CD2-CB 4.14Å; F114-L205 HydrophobicContact CD2-CD2 3.99Å; F114-L205 HydrophobicContact CE2-CB 3.85Å; F114-L205 HydrophobicContact CE2-CD2 4.29Å; L203-L205 HydrophobicContact CB-CD1 3.89Å; L205-R223 WeakPolarHBondContact O-CA 3.4Å; L205-F224 HydrophobicContact CB-CB 4.45Å; L205-F224 WeakPolarHBondContact CB-O 3.37Å; L205-F224 PolarHBondContact N-O 3.08Å; L205-F224 PolarHBondContact O-N 2.94Å; L205-F226 HydrophobicContact CD1-CD1 4.2Å; L205-F226 HydrophobicContact CD1-CE1 3.53Å; L205-F226 HydrophobicContact CD1-CZ 4.46Å; L205-F226 HydrophobicContact CD2-CE1 3.94Å; L205-F226 HydrophobicContact CG-CE1 4.37Å
206	E	94.3	Very high	94.4	Very high	104 Å²	104	54 Å²	54	49%	0.486	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	146.1	177.3	-66.2	-170.5	144.5	0	0	111.7	V81 V82 G84 I204 R223	V81-E206 VanDerWaalsContact CG1-CD 3.44Å; V81-E206 HydrophobicContact CG1-CG 3.83Å; V82-E206 PolarHBondContact O-N 3.21Å; G84-E206 PolarHBondContact N-O 3.27Å; I204-E206 HydrophobicContact CG2-CG 4.41Å; I204-E206 PolarHBondContact O-N 3.36Å; E206-R223 HydrophobicContact CG-CB 4.25Å
207	Y	92.9	Very high	94.5	Very high	3 Å²	3	56.3 Å²	56.3	1%	0.012	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	145.2	166.8	50	-96.8	0	0	0	110.2	F114 Y117 M118 A122 E211 A218 A221 N222	F114-Y207 AromaticContact CE2-CD1 3.68Å; F114-Y207 HydrophobicContact CE2-CD1 3.68Å; F114-Y207 HydrophobicContact CE2-CE1 4.19Å; F114-Y207 AromaticContact CZ-CD1 3.8Å; F114-Y207 HydrophobicContact CZ-CD1 3.8Å; F114-Y207 HydrophobicContact CZ-CG 4.49Å; Y117-Y207 PolarHBondContact O-OH 3.47Å; M118-Y207 HydrophobicContact CB-CD1 4.36Å; M118-Y207 HydrophobicContact CB-CE1 4.29Å; M118-Y207 HydrophobicContact CG-CD1 4.37Å; M118-Y207 HydrophobicContact CG-CD2 4.21Å; M118-Y207 HydrophobicContact CG-CG 4.1Å; A122-Y207 PolarHBondContact N-OH 2.97Å; A122-Y207 PolarHBondContact O-OH 3.22Å; Y207-E211 VanDerWaalsContact CA-OE2 3.28Å; Y207-E211 WeakPolarHBondContact CA-OE2 3.49Å; Y207-A218 HydrophobicContact CD2-CB 3.77Å; Y207-A218 HydrophobicContact CE2-CB 4.33Å; Y207-A221 WeakPolarHBondContact O-CA 3.5Å; Y207-N222 HydrophobicContact CD2-CB 4.49Å; Y207-N222 HydrophobicContact CE2-CB 3.55Å; Y207-N222 PolarHBondContact N-O 2.93Å; Y207-N222 PolarHBondContact O-N 2.84Å; Y207-N222 WeakPolarHBondContact OH-CB 3.48Å
208	K	91.9	Very high	94.5	Very high	155 Å²	155	47.6 Å²	47.6	67%	0.674	27%	0.274	S	S	*	.			trans	-92.9	155.7	-176.7	-63.4	174.2	-175.6	169.7	0	111.1	G210 E211 A218	K208-G210 PolarHBondContact O-N 3.44Å; K208-E211 HydrophobicContact CB-CB 4.33Å; K208-E211 PolarHBondContact N-OE2 2.67Å; K208-E211 WeakPolarHBondContact O-CB 3.38Å; K208-E211 PolarHBondContact O-N 3.04Å; K208-A218 WeakPolarHBondContact O-CB 3.42Å
209	A	90.1	Very high	94.5	Very high	65 Å²	65	48.5 Å²	48.5	54%	0.537	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	128.7	169.2	0	0	0	0	0	110.3	E211	A209-E211 VanDerWaalsContact C-N 3.28Å; A209-E211 PolarHBondContact O-N 2.91Å
210	G	93.4	Very high	94	Very high	38 Å²	38	52.6 Å²	52.6	39%	0.392	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	80	-2.7	-177.7	0	0	0	0	0	115.4	K208 Q217 A218	K208-G210 PolarHBondContact O-N 3.44Å; G210-Q217 PolarHBondContact O-NE2 2.87Å; G210-A218 WeakPolarHBondContact CA-O 3.29Å; G210-A218 PolarHBondContact N-O 2.91Å
211	E	95.7	Very high	93.5	Very high	41 Å²	41	54.8 Å²	54.8	19%	0.192	32%	0.321	C	S	.	.			trans	-60.5	139.1	175	-172.4	165.8	170.9	0	0	110.6	V85 M118 Y207 K208 A209 Q217 A218	V85-E211 WeakPolarHBondContact CB-OE1 3.49Å; V85-E211 HydrophobicContact CG2-CG 4.24Å; V85-E211 WeakPolarHBondContact CG2-OE1 3.36Å; M118-E211 HydrophobicContact CE-CB 4.13Å; M118-E211 HydrophobicContact CE-CG 4.09Å; M118-E211 WeakPolarHBondContact CE-O 2.8Å; Y207-E211 VanDerWaalsContact CA-OE2 3.28Å; Y207-E211 WeakPolarHBondContact CA-OE2 3.49Å; K208-E211 HydrophobicContact CB-CB 4.33Å; K208-E211 PolarHBondContact N-OE2 2.67Å; K208-E211 WeakPolarHBondContact O-CB 3.38Å; K208-E211 PolarHBondContact O-N 3.04Å; A209-E211 VanDerWaalsContact C-N 3.28Å; A209-E211 PolarHBondContact O-N 2.91Å; E211-Q217 WeakPolarHBondContact O-CA 3.49Å; E211-A218 PolarHBondContact O-N 3.38Å
212	Q	95.8	Very high	93.1	Very high	125 Å²	125	54.9 Å²	54.9	58%	0.584	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.8	141.9	-174.3	-69.2	-176.6	2.1	0	0	111.5	T216 Q217	Q212-T216 VanDerWaalsContact CA-O 3.28Å; Q212-T216 WeakPolarHBondContact CA-O 3.33Å; Q212-Q217 HydrophobicContact CG-CB 4.03Å; Q212-Q217 HydrophobicContact CG-CG 3.9Å
213	W	95.3	Very high	92.9	Very high	13 Å²	13	58.8 Å²	58.8	5%	0.049	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	112.8	168.5	-171.8	37.2	0	0	0	110.2	V85 L88 V93 P95 R111 F114 I115 S215 T216	V85-W213 HydrophobicContact CG1-CB 3.83Å; V85-W213 HydrophobicContact CG1-CD2 4.24Å; V85-W213 HydrophobicContact CG1-CG 3.69Å; V85-W213 HydrophobicContact CG2-CB 3.86Å; V85-W213 HydrophobicContact CG2-CG 4.31Å; L88-W213 HydrophobicContact CB-CH2 3.52Å; L88-W213 HydrophobicContact CB-CZ2 3.92Å; L88-W213 HydrophobicContact CB-CZ3 4.13Å; L88-W213 HydrophobicContact CD1-CE3 4.29Å; L88-W213 HydrophobicContact CD1-CH2 3.58Å; L88-W213 HydrophobicContact CD1-CZ3 3.36Å; L88-W213 HydrophobicContact CG-CH2 4.13Å; L88-W213 HydrophobicContact CG-CZ3 4.37Å; V93-W213 HydrophobicContact CG1-CH2 4.43Å; V93-W213 WeakPolarHBondContact O-CZ2 3.3Å; P95-W213 HydrophobicContact CB-CD2 3.97Å; P95-W213 HydrophobicContact CB-CG 4.19Å; P95-W213 HydrophobicContact CB-CZ2 4.26Å; R111-W213 HydrophobicContact CG-CH2 3.86Å; R111-W213 HydrophobicContact CG-CZ3 4.03Å; F114-W213 HydrophobicContact CD1-CE3 4.46Å; F114-W213 HydrophobicContact CD1-CZ3 4.29Å; F114-W213 HydrophobicContact CE1-CE3 4.47Å; I115-W213 HydrophobicContact CD1-CE3 3.98Å; I115-W213 HydrophobicContact CD1-CZ3 3.72Å; I115-W213 HydrophobicContact CG1-CE3 3.87Å; I115-W213 HydrophobicContact CG1-CZ3 3.74Å; W213-S215 PolarHBondContact O-N 3.27Å; W213-T216 PolarHBondContact N-O 3.43Å; W213-T216 WeakPolarHBondContact O-CB 3.38Å; W213-T216 PolarHBondContact O-N 3.08Å; W213-T216 VanDerWaalsContact O-N 3.13Å
214	G	92.8	Very high	92.7	Very high	54 Å²	54	58.8 Å²	58.8	56%	0.557	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	-127.3	-168.9	0	0	0	0	0	111.3
215	S	93.5	Very high	92.5	Very high	120 Å²	120	59.1 Å²	59.1	84%	0.839	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-7.6	175.4	51.9	0	0	0	0	114.2	W213	W213-S215 PolarHBondContact O-N 3.27Å
216	T	94.9	Very high	92.5	Very high	3 Å²	3	59.1 Å²	59.1	2%	0.018	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	135.3	-176.4	-63.2	0	0	0	0	110.6	I115 M118 E119 Q212 W213	I115-T216 HydrophobicContact CG2-CG2 4.18Å; I115-T216 WeakPolarHBondContact CG2-OG1 3.12Å; M118-T216 HydrophobicContact CB-CG2 4.27Å; M118-T216 HydrophobicContact CE-CG2 4.3Å; M118-T216 HydrophobicContact CG-CG2 3.97Å; M118-T216 HydrophobicContact SD-CG2 3.83Å; E119-T216 HydrophobicContact CB-CG2 4.45Å; E119-T216 HydrophobicContact CG-CG2 3.33Å; E119-T216 PolarHBondContact OE1-OG1 3Å; Q212-T216 VanDerWaalsContact CA-O 3.28Å; Q212-T216 WeakPolarHBondContact CA-O 3.33Å; W213-T216 PolarHBondContact N-O 3.43Å; W213-T216 WeakPolarHBondContact O-CB 3.38Å; W213-T216 PolarHBondContact O-N 3.08Å; W213-T216 VanDerWaalsContact O-N 3.13Å
217	Q	95.8	Very high	92.5	Very high	104 Å²	104	54.7 Å²	54.7	49%	0.486	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	132.1	172.7	-176.7	171.3	49.4	0	0	110.6	G210 E211 Q212	G210-Q217 PolarHBondContact O-NE2 2.87Å; E211-Q217 WeakPolarHBondContact O-CA 3.49Å; Q212-Q217 HydrophobicContact CG-CB 4.03Å; Q212-Q217 HydrophobicContact CG-CG 3.9Å
218	A	94.6	Very high	92.5	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.008	32%	0.324	C	S	.	.			trans	-76.4	123.4	177.3	0	0	0	0	0	111.3	M118 Y207 K208 G210 E211 Q220	M118-A218 HydrophobicContact CE-CB 4.11Å; M118-A218 HydrophobicContact CG-CB 3.92Å; M118-A218 WeakPolarHBondContact O-CA 3.4Å; Y207-A218 HydrophobicContact CD2-CB 3.77Å; Y207-A218 HydrophobicContact CE2-CB 4.33Å; K208-A218 WeakPolarHBondContact O-CB 3.42Å; G210-A218 WeakPolarHBondContact CA-O 3.29Å; G210-A218 PolarHBondContact N-O 2.91Å; E211-A218 PolarHBondContact O-N 3.38Å; A218-Q220 VanDerWaalsContact C-N 3.31Å; A218-Q220 PolarHBondContact O-N 3.48Å
219	P	92.3	Very high	92.4	Very high	84 Å²	84	49 Å²	49	55%	0.545	30%	0.295	S	S	.	.	S	Bend	trans	-72.6	-26.7	178.6	28.5	-33.5	0	0	0	112.5	M118 E119	M118-P219 WeakPolarHBondContact O-CD 3.12Å; E119-P219 WeakPolarHBondContact O-CD 3.45Å
220	Q	83.8	Confident	92.4	Very high	107 Å²	107	48.4 Å²	48.4	50%	0.5	28%	0.284	S	S	.	.	S	Bend	trans	-149.3	162	178.9	61	-175.9	21.2	0	0	110.5	G121 A218	G121-Q220 WeakPolarHBondContact O-CG 3.33Å; G121-Q220 PolarHBondContact O-NE2 3.47Å; A218-Q220 VanDerWaalsContact C-N 3.31Å; A218-Q220 PolarHBondContact O-N 3.48Å
221	A	85.8	Confident	92.4	Very high	65 Å²	65	47.7 Å²	47.7	54%	0.537	27%	0.273	S	S	.	.			trans	-73.3	135.8	175.7	0	0	0	0	0	110.3	Y207	Y207-A221 WeakPolarHBondContact O-CA 3.5Å
222	N	88.7	Confident	92.3	Very high	37 Å²	37	45.8 Å²	45.8	20%	0.198	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	-171.9	174.4	-145.4	-37.8	0	0	0	109.9	G121 A123 Y207	G121-N222 PolarHBondContact O-ND2 2.94Å; A123-N222 PolarHBondContact N-ND2 3.21Å; A123-N222 VanDerWaalsContact N-ND2 3.17Å; Y207-N222 HydrophobicContact CD2-CB 4.49Å; Y207-N222 HydrophobicContact CE2-CB 3.55Å; Y207-N222 PolarHBondContact N-O 2.93Å; Y207-N222 PolarHBondContact O-N 2.84Å; Y207-N222 WeakPolarHBondContact OH-CB 3.48Å
223	R	90.3	Very high	92.1	Very high	101 Å²	101	40.1 Å²	40.1	38%	0.381	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	151.5	176.5	72.8	-81.5	-179	-91.7	-9.6	112.4	I204 L205 E206 I225	I204-R223 HydrophobicContact CG2-CB 3.88Å; I204-R223 HydrophobicContact CG2-CG 3.98Å; L205-R223 WeakPolarHBondContact O-CA 3.4Å; E206-R223 HydrophobicContact CG-CB 4.25Å; R223-I225 HydrophobicContact CG-CD1 4.27Å; R223-I225 HydrophobicContact CG-CG1 4.12Å
224	F	92.6	Very high	91.9	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	129.3	167.7	177.9	-99.3	0	0	0	108.8	L104 L110 T113 F114 Y117 A124 R126 L205 F226	L104-F224 HydrophobicContact CD1-CE1 4.22Å; L104-F224 HydrophobicContact CD1-CZ 4.11Å; L110-F224 HydrophobicContact CD1-CD1 4.32Å; L110-F224 HydrophobicContact CD1-CE1 3.67Å; T113-F224 HydrophobicContact CG2-CE2 3.54Å; T113-F224 HydrophobicContact CG2-CZ 3.73Å; F114-F224 HydrophobicContact CD2-CB 3.86Å; F114-F224 HydrophobicContact CD2-CD1 4.23Å; F114-F224 HydrophobicContact CD2-CG 4.22Å; F114-F224 HydrophobicContact CE2-CB 4.32Å; Y117-F224 AromaticContact CD2-CD2 3.96Å; Y117-F224 HydrophobicContact CD2-CD2 3.96Å; Y117-F224 AromaticContact CD2-CE2 3.96Å; Y117-F224 HydrophobicContact CD2-CE2 3.96Å; Y117-F224 HydrophobicContact CE2-CE2 4.4Å; Y117-F224 HydrophobicContact CG-CD2 4.45Å; A124-F224 HydrophobicContact CB-CD2 3.88Å; A124-F224 HydrophobicContact CB-CE2 4Å; R126-F224 HydrophobicContact CB-CZ 3.99Å; R126-F224 HydrophobicContact CG-CE2 3.79Å; R126-F224 HydrophobicContact CG-CZ 3.64Å; L205-F224 HydrophobicContact CB-CB 4.45Å; L205-F224 WeakPolarHBondContact CB-O 3.37Å; L205-F224 PolarHBondContact N-O 3.08Å; L205-F224 PolarHBondContact O-N 2.94Å; F224-F226 HydrophobicContact CD1-CD1 4.07Å; F224-F226 HydrophobicContact CE1-CB 4.19Å; F224-F226 AromaticContact CE1-CD1 3.76Å; F224-F226 HydrophobicContact CE1-CD1 3.76Å; F224-F226 HydrophobicContact CE1-CG 4.3Å
225	I	93.1	Very high	92	Very high	22 Å²	22	41.5 Å²	41.5	11%	0.113	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	141	-176.4	-54	179.9	0	0	0	109.6	A124 E125 R126 L203 I204 R223	A124-I225 PolarHBondContact O-N 3.32Å; E125-I225 CarbonylContact C-O 3.58Å; E125-I225 WeakPolarHBondContact CA-O 3.33Å; E125-I225 HydrophobicContact CB-CB 4.17Å; E125-I225 HydrophobicContact CG-CB 3.93Å; E125-I225 HydrophobicContact CG-CG2 3.98Å; R126-I225 PolarHBondContact N-O 3.17Å; L203-I225 VanDerWaalsContact O-CA 3.29Å; L203-I225 WeakPolarHBondContact O-CA 3.39Å; I204-I225 HydrophobicContact CB-CG1 4.49Å; I204-I225 HydrophobicContact CG1-CD1 4.28Å; I204-I225 HydrophobicContact CG1-CG1 4.13Å; I204-I225 HydrophobicContact CG1-CG2 4.39Å; I204-I225 HydrophobicContact CG2-CG1 4.28Å; R223-I225 HydrophobicContact CG-CD1 4.27Å; R223-I225 HydrophobicContact CG-CG1 4.12Å
226	F	94.5	Very high	92	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	151.4	165	68.2	-77.4	0	0	0	112.6	L104 L110 R126 F128 F134 I137 L203 L205 F224	L104-F226 HydrophobicContact CD1-CB 3.94Å; L104-F226 HydrophobicContact CD1-CD2 4.33Å; L104-F226 HydrophobicContact CD1-CG 4.13Å; L110-F226 HydrophobicContact CD1-CD1 3.65Å; L110-F226 HydrophobicContact CD1-CD2 4.44Å; L110-F226 HydrophobicContact CD1-CE1 3.38Å; L110-F226 HydrophobicContact CD1-CE2 4.22Å; L110-F226 HydrophobicContact CD1-CG 4.17Å; L110-F226 HydrophobicContact CD1-CZ 3.69Å; L110-F226 HydrophobicContact CD2-CE1 3.99Å; L110-F226 HydrophobicContact CD2-CE2 4.02Å; L110-F226 HydrophobicContact CD2-CZ 3.48Å; L110-F226 VanDerWaalsContact CD2-CZ 3.48Å; L110-F226 HydrophobicContact CG-CE1 4.35Å; L110-F226 HydrophobicContact CG-CZ 4.25Å; R126-F226 HydrophobicContact CB-CB 4.38Å; R126-F226 WeakPolarHBondContact O-CA 3.15Å; R126-F226 WeakPolarHBondContact O-CB 3.27Å; F128-F226 HydrophobicContact CB-CD2 4.04Å; F128-F226 AromaticContact CD2-CD2 3.81Å; F128-F226 HydrophobicContact CD2-CD2 3.81Å; F128-F226 AromaticContact CD2-CE2 3.91Å; F128-F226 HydrophobicContact CD2-CE2 3.91Å; F128-F226 HydrophobicContact CG-CD2 4.3Å; F134-F226 AromaticContact CD2-CD2 3.91Å; F134-F226 HydrophobicContact CD2-CD2 3.91Å; F134-F226 AromaticContact CD2-CE2 3.85Å; F134-F226 HydrophobicContact CD2-CE2 3.85Å; F134-F226 AromaticContact CE2-CD2 3.7Å; F134-F226 HydrophobicContact CE2-CD2 3.7Å; F134-F226 AromaticContact CE2-CE2 3.77Å; F134-F226 HydrophobicContact CE2-CE2 3.77Å; I137-F226 HydrophobicContact CG2-CE2 4.17Å; I137-F226 HydrophobicContact CG2-CZ 3.81Å; L203-F226 HydrophobicContact CB-CD1 4.16Å; L203-F226 HydrophobicContact CB-CE1 3.85Å; L203-F226 HydrophobicContact CB-CE2 4.5Å; L203-F226 HydrophobicContact CB-CZ 4.03Å; L203-F226 HydrophobicContact CD1-CE1 4.19Å; L203-F226 HydrophobicContact CD1-CE2 3.73Å; L203-F226 HydrophobicContact CD1-CZ 3.51Å; L203-F226 HydrophobicContact CG-CZ 4.34Å; L203-F226 PolarHBondContact N-O 2.95Å; L203-F226 PolarHBondContact O-N 3.04Å; L205-F226 HydrophobicContact CD1-CD1 4.2Å; L205-F226 HydrophobicContact CD1-CE1 3.53Å; L205-F226 HydrophobicContact CD1-CZ 4.46Å; L205-F226 HydrophobicContact CD2-CE1 3.94Å; L205-F226 HydrophobicContact CG-CE1 4.37Å; F224-F226 HydrophobicContact CD1-CD1 4.07Å; F224-F226 HydrophobicContact CE1-CB 4.19Å; F224-F226 AromaticContact CE1-CD1 3.76Å; F224-F226 HydrophobicContact CE1-CD1 3.76Å; F224-F226 HydrophobicContact CE1-CG 4.3Å
227	S	94.3	Very high	92.1	Very high	10 Å²	10	38.6 Å²	38.6	7%	0.07	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	161.6	-179.1	63	0	0	0	0	111.4	R126 F128 F201	R126-S227 PolarHBondContact O-N 3.28Å; F128-S227 PolarHBondContact N-O 3.23Å; F201-S227 WeakPolarHBondContact O-CB 3.5Å
228	H	92.7	Very high	92.2	Very high	26 Å²	26	33.6 Å²	33.6	12%	0.12	19%	0.189	C	C	.	.			trans	-112.4	59.9	162.2	-176.3	83.7	0	0	0	108.3	F127 F128 S129 K131 F134 V230	F127-H228 AromaticContact CE2-ND1 3.88Å; F127-H228 AromaticContact CZ-CE1 3.86Å; F127-H228 AromaticContact CZ-ND1 3.59Å; F128-H228 PolarHBondContact O-ND1 3.48Å; S129-H228 PolarHBondContact O-CE1 3.31Å; S129-H228 VanDerWaalsContact O-CE1 3.28Å; S129-H228 PolarHBondContact O-ND1 2.83Å; K131-H228 WeakPolarHBondContact CB-NE2 3.25Å; F134-H228 HydrophobicContact CB-CB 3.91Å; F134-H228 HydrophobicContact CD1-CB 3.39Å; F134-H228 HydrophobicContact CD2-CB 4.16Å; F134-H228 HydrophobicContact CE1-CB 3.94Å; F134-H228 HydrophobicContact CG-CB 3.52Å; H228-V230 PolarHBondContact O-N 2.99Å
229	D	91	Very high	92.2	Very high	14 Å²	14	37.5 Å²	37.5	8%	0.075	21%	0.207	C	C	.	.			trans	-97	87.3	-171.9	-167.8	-13.1	0	0	0	111.5	H202 N232 M260	H202-D229 IonicContact CD2-OD2 3.59Å; H202-D229 IonicContact CE1-OD2 3.86Å; H202-D229 IonicContact NE2-OD2 3.06Å; H202-D229 PolarHBondContact NE2-OD2 3.31Å; D229-N232 VanDerWaalsContact CG-ND2 3.3Å; D229-N232 VanDerWaalsContact OD1-CB 3.23Å; D229-N232 WeakPolarHBondContact OD1-CB 3.32Å; D229-N232 PolarHBondContact OD1-N 3.49Å; D229-N232 PolarHBondContact OD1-ND2 3.37Å; D229-N232 VanDerWaalsContact OD1-ND2 3.14Å; D229-N232 WeakPolarHBondContact OD2-CB 3.17Å; D229-N232 PolarHBondContact OD2-ND2 3.28Å; D229-M260 WeakPolarHBondContact OD2-CE 3.17Å
230	V	90.5	Very high	92.4	Very high	51 Å²	51	35.5 Å²	35.5	31%	0.309	19%	0.193	S	C	.	.	H	α-helix	trans	-83.1	-39.2	176.2	179.7	0	0	0	0	110.3	F127 H228 N232 G233 E234	F127-V230 HydrophobicContact CE2-CG2 4.48Å; F127-V230 HydrophobicContact CZ-CG2 4.44Å; H228-V230 PolarHBondContact O-N 2.99Å; V230-N232 PolarHBondContact O-N 3.48Å; V230-G233 PolarHBondContact O-N 2.88Å; V230-E234 HydrophobicContact CG1-CG 4.12Å; V230-E234 WeakPolarHBondContact O-CG 3.16Å; V230-E234 PolarHBondContact O-N 3.45Å
231	S	93.3	Very high	93.1	Very high	23 Å²	23	30.4 Å²	30.4	16%	0.161	17%	0.169	C	C	.	.	H	α-helix	trans	-62.3	-46.3	-173	-52.5	0	0	0	0	112.5	E200 M235 S236	E200-S231 VanDerWaalsContact OE1-CB 3.24Å; E200-S231 WeakPolarHBondContact OE1-CB 3.42Å; E200-S231 PolarHBondContact OE1-OG 3.14Å; S231-M235 PolarHBondContact O-N 3.17Å; S231-M235 VanDerWaalsContact O-N 3.13Å; S231-S236 PolarHBondContact O-N 3.39Å; S231-S236 PolarHBondContact O-OG 3.26Å
232	N	93.4	Very high	93.6	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.011	15%	0.151	C	C	.	.	H	α-helix	trans	-73.3	-35	177	-66.9	-55.2	0	0	0	111.8	N75 A76 P175 D229 V230 E234 M235 M260	N75-N232 WeakPolarHBondContact CA-OD1 3.05Å; N75-N232 HydrophobicContact CB-CB 4.31Å; A76-N232 PolarHBondContact N-OD1 3.21Å; A76-N232 PolarHBondContact O-ND2 3.01Å; P175-N232 WeakPolarHBondContact CD-OD1 3.43Å; P175-N232 WeakPolarHBondContact CG-OD1 3.05Å; D229-N232 VanDerWaalsContact CG-ND2 3.3Å; D229-N232 VanDerWaalsContact OD1-CB 3.23Å; D229-N232 WeakPolarHBondContact OD1-CB 3.32Å; D229-N232 PolarHBondContact OD1-N 3.49Å; D229-N232 PolarHBondContact OD1-ND2 3.37Å; D229-N232 VanDerWaalsContact OD1-ND2 3.14Å; D229-N232 WeakPolarHBondContact OD2-CB 3.17Å; D229-N232 PolarHBondContact OD2-ND2 3.28Å; V230-N232 PolarHBondContact O-N 3.48Å; N232-E234 VanDerWaalsContact C-N 3.3Å; N232-E234 PolarHBondContact O-N 3.1Å; N232-M235 PolarHBondContact O-N 2.96Å; N232-M260 HydrophobicContact CB-CE 3.55Å; N232-M260 HydrophobicContact CB-SD 3.5Å; N232-M260 WeakPolarHBondContact CB-SD 3.33Å
233	G	90.6	Very high	94	Very high	6 Å²	6	30.2 Å²	30.2	6%	0.062	17%	0.17	C	C	.	.	H	α-helix	trans	-60.2	-39.9	175.1	0	0	0	0	0	112.6	V230 M235 M260 M261 Q264	V230-G233 PolarHBondContact O-N 2.88Å; G233-M235 VanDerWaalsContact C-N 3.28Å; G233-M260 WeakPolarHBondContact CA-O 3.22Å; G233-M261 WeakPolarHBondContact O-CA 3.42Å; G233-M261 WeakPolarHBondContact O-CG 3.34Å; G233-Q264 VanDerWaalsContact O-CD 3.24Å; G233-Q264 PolarHBondContact O-NE2 2.93Å; G233-Q264 VanDerWaalsContact O-NE2 3.16Å; G233-Q264 PolarHBondContact O-OE1 3.39Å
234	E	92.3	Very high	94.3	Very high	94 Å²	94	26.3 Å²	26.3	44%	0.439	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-5.1	175.6	-66.5	-177.3	173.3	0	0	112.2	V230 N232 S236 R272	V230-E234 HydrophobicContact CG1-CG 4.12Å; V230-E234 WeakPolarHBondContact O-CG 3.16Å; V230-E234 PolarHBondContact O-N 3.45Å; N232-E234 VanDerWaalsContact C-N 3.3Å; N232-E234 PolarHBondContact O-N 3.1Å; E234-S236 PolarHBondContact O-N 3.38Å; E234-R272 WeakPolarHBondContact O-CD 3.4Å; E234-R272 PolarHBondContact O-NE 2.91Å
235	M	94.4	Very high	94.5	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.01	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	44	45.4	-167.8	-67	-173.1	64.3	0	0	111.9	V74 S231 N232 G233 S237 L238 F258 M261 R272	V74-M235 HydrophobicContact CG2-CB 3.96Å; V74-M235 HydrophobicContact CG2-CE 3.63Å; V74-M235 HydrophobicContact CG2-CG 4.26Å; S231-M235 PolarHBondContact O-N 3.17Å; S231-M235 VanDerWaalsContact O-N 3.13Å; N232-M235 PolarHBondContact O-N 2.96Å; G233-M235 VanDerWaalsContact C-N 3.28Å; M235-S237 PolarHBondContact O-N 3.36Å; M235-S237 VanDerWaalsContact O-N 3.07Å; M235-L238 WeakPolarHBondContact O-CB 3.45Å; M235-L238 PolarHBondContact O-N 2.89Å; M235-L238 VanDerWaalsContact O-N 3.1Å; M235-F258 HydrophobicContact CE-CD2 4.05Å; M235-F258 HydrophobicContact CE-CE2 3.97Å; M235-F258 HydrophobicContact CE-CG 4.44Å; M235-F258 HydrophobicContact CE-CZ 4.28Å; M235-F258 HydrophobicContact SD-CB 4.45Å; M235-F258 HydrophobicContact SD-CD1 4.1Å; M235-F258 HydrophobicContact SD-CD2 4.22Å; M235-F258 HydrophobicContact SD-CE1 4.39Å; M235-F258 HydrophobicContact SD-CG 4.02Å; M235-M261 HydrophobicContact CB-CE 4.04Å; M235-M261 HydrophobicContact CG-CE 3.74Å; M235-M261 HydrophobicContact CG-CG 4.31Å; M235-M261 HydrophobicContact SD-CE 3.16Å; M235-M261 WeakPolarHBondContact SD-CE 3.26Å; M235-M261 HydrophobicContact SD-CG 4.29Å; M235-M261 HydrophobicContact SD-SD 4.46Å; M235-R272 PolarHBondContact O-NH2 3.29Å
236	S	93.9	Very high	94.6	Very high	50 Å²	50	33.9 Å²	33.9	35%	0.35	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-18.1	-167	61.8	0	0	0	0	114.3	S231 E234	S231-S236 PolarHBondContact O-N 3.39Å; S231-S236 PolarHBondContact O-OG 3.26Å; E234-S236 PolarHBondContact O-N 3.38Å
237	S	96.4	Very high	94.7	Very high	11 Å²	11	42.6 Å²	42.6	8%	0.077	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	2	179	-44.8	0	0	0	0	114.2	G174 M235 T240 F241	G174-S237 WeakPolarHBondContact CA-OG 3.19Å; M235-S237 PolarHBondContact O-N 3.36Å; M235-S237 VanDerWaalsContact O-N 3.07Å; S237-T240 PolarHBondContact O-N 3.48Å; S237-F241 WeakPolarHBondContact O-CB 3.45Å; S237-F241 PolarHBondContact O-N 2.78Å
238	L	96.8	Very high	94.8	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63.6	-43.4	-176.1	-177	59.6	0	0	0	113.2	V74 M235 F241 V242 L255 A276 A279	V74-L238 HydrophobicContact CG1-CD1 4.32Å; V74-L238 HydrophobicContact CG2-CB 4.33Å; M235-L238 WeakPolarHBondContact O-CB 3.45Å; M235-L238 PolarHBondContact O-N 2.89Å; M235-L238 VanDerWaalsContact O-N 3.1Å; L238-F241 HydrophobicContact CD1-CD1 4.45Å; L238-F241 WeakPolarHBondContact O-CB 3.26Å; L238-F241 PolarHBondContact O-N 2.83Å; L238-V242 HydrophobicContact CD1-CG2 4.32Å; L238-V242 WeakPolarHBondContact O-CG2 3.5Å; L238-V242 PolarHBondContact O-N 3.37Å; L238-L255 HydrophobicContact CD1-CD2 4.23Å; L238-A276 VanDerWaalsContact CD2-CA 3.42Å; L238-A276 HydrophobicContact CD2-CB 3.34Å; L238-A279 HydrophobicContact CD2-CB 4.38Å; L238-A279 HydrophobicContact CG-CB 4.34Å
239	E	95.6	Very high	95.1	Very high	83 Å²	83	48.5 Å²	48.5	39%	0.388	26%	0.261	S	S	.	.	H	α-helix	trans	-64.9	-44.9	178.7	-71.1	70.7	-161.6	0	0	111.1	F241 V242 A243 R272	E239-F241 VanDerWaalsContact C-N 3.29Å; E239-F241 PolarHBondContact O-N 3.48Å; E239-V242 PolarHBondContact O-N 3.04Å; E239-A243 WeakPolarHBondContact O-CB 3.44Å; E239-A243 PolarHBondContact O-N 3.36Å; E239-R272 IonicContact OE1-CZ 3.39Å; E239-R272 IonicContact OE1-NH1 2.87Å; E239-R272 PolarHBondContact OE1-NH1 2.6Å; E239-R272 IonicContact OE1-NH2 3.49Å; E239-R272 PolarHBondContact OE1-NH2 3.14Å; E239-R272 VanDerWaalsContact OE1-NH2 3.1Å; E239-R272 IonicContact OE2-CZ 3.56Å; E239-R272 IonicContact OE2-NH1 2.79Å; E239-R272 IonicContact OE2-NH2 3.85Å; E239-R272 PolarHBondContact OE2-NH2 2.93Å
240	T	96.5	Very high	95.4	Very high	42 Å²	42	48.1 Å²	48.1	26%	0.258	26%	0.259	S	S	.	.	H	α-helix	trans	-60.3	-41.6	174.3	-57.7	0	0	0	0	111.1	E193 S237 A243 S244	E193-T240 HydrophobicContact CB-CG2 3.61Å; S237-T240 PolarHBondContact O-N 3.48Å; T240-A243 PolarHBondContact O-N 2.81Å; T240-S244 WeakPolarHBondContact O-CB 3.48Å; T240-S244 PolarHBondContact O-N 3.42Å
241	F	98.1	Very high	95.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-58.7	-54.4	175.8	179.4	-115	0	0	0	111.5	A71 V72 V74 L171 C173 S237 L238 E239 A243 S244 L245 V253 L255	A71-F241 HydrophobicContact CB-CE2 3.75Å; A71-F241 HydrophobicContact CB-CZ 3.85Å; V72-F241 VanDerWaalsContact C-CE2 3.42Å; V72-F241 VanDerWaalsContact O-CE2 3.31Å; V72-F241 WeakPolarHBondContact O-CE2 3.37Å; V74-F241 HydrophobicContact CG1-CB 3.61Å; V74-F241 HydrophobicContact CG1-CD1 4.17Å; V74-F241 HydrophobicContact CG1-CG 3.88Å; L171-F241 HydrophobicContact CD2-CD2 3.93Å; L171-F241 HydrophobicContact CD2-CE2 3.84Å; C173-F241 HydrophobicContact CB-CB 3.66Å; C173-F241 HydrophobicContact CB-CD2 3.64Å; C173-F241 HydrophobicContact CB-CG 4.09Å; S237-F241 WeakPolarHBondContact O-CB 3.45Å; S237-F241 PolarHBondContact O-N 2.78Å; L238-F241 HydrophobicContact CD1-CD1 4.45Å; L238-F241 WeakPolarHBondContact O-CB 3.26Å; L238-F241 PolarHBondContact O-N 2.83Å; E239-F241 VanDerWaalsContact C-N 3.29Å; E239-F241 PolarHBondContact O-N 3.48Å; F241-A243 VanDerWaalsContact C-N 3.33Å; F241-A243 PolarHBondContact O-N 3.48Å; F241-S244 PolarHBondContact O-N 3.18Å; F241-S244 VanDerWaalsContact O-N 3.15Å; F241-S244 PolarHBondContact O-OG 3.03Å; F241-L245 HydrophobicContact CD2-CD2 4.3Å; F241-L245 HydrophobicContact CE1-CD2 4.26Å; F241-L245 HydrophobicContact CE2-CD2 3.95Å; F241-L245 HydrophobicContact CZ-CD2 3.94Å; F241-L245 WeakPolarHBondContact O-CD2 2.92Å; F241-L245 WeakPolarHBondContact O-CG 3.38Å; F241-L245 PolarHBondContact O-N 2.76Å; F241-V253 HydrophobicContact CE1-CG1 3.77Å; F241-V253 HydrophobicContact CZ-CG1 3.89Å; F241-L255 HydrophobicContact CD1-CD2 3.84Å; F241-L255 HydrophobicContact CE1-CD2 3.46Å; F241-L255 VanDerWaalsContact CE1-CD2 3.46Å; F241-L255 HydrophobicContact CE1-CG 4.43Å; F241-L255 HydrophobicContact CZ-CD2 4.4Å
242	V	96.8	Very high	96	Very high	25 Å²	25	48.2 Å²	48.2	15%	0.152	25%	0.253	C	S	.	.	H	α-helix	trans	-60.8	-42.4	-179.5	172.6	0	0	0	0	111.3	L238 E239 S244 L245 A279 D282 I283	L238-V242 HydrophobicContact CD1-CG2 4.32Å; L238-V242 WeakPolarHBondContact O-CG2 3.5Å; L238-V242 PolarHBondContact O-N 3.37Å; E239-V242 PolarHBondContact O-N 3.04Å; V242-S244 VanDerWaalsContact C-N 3.31Å; V242-S244 PolarHBondContact O-N 3.47Å; V242-L245 WeakPolarHBondContact O-CB 3.44Å; V242-L245 WeakPolarHBondContact O-CG 3.43Å; V242-L245 PolarHBondContact O-N 3.47Å; V242-A279 WeakPolarHBondContact CG1-O 3.47Å; V242-A279 HydrophobicContact CG2-CB 4.11Å; V242-D282 HydrophobicContact CG1-CB 4.33Å; V242-I283 HydrophobicContact CG2-CG1 4.48Å
243	A	96.3	Very high	96.2	Very high	72 Å²	72	48.1 Å²	48.1	60%	0.595	25%	0.253	S	S	*	.	H	α-helix	trans	-61.3	-38	176.9	0	0	0	0	0	112.6	E239 T240 F241 L245	E239-A243 WeakPolarHBondContact O-CB 3.44Å; E239-A243 PolarHBondContact O-N 3.36Å; T240-A243 PolarHBondContact O-N 2.81Å; F241-A243 VanDerWaalsContact C-N 3.33Å; F241-A243 PolarHBondContact O-N 3.48Å; A243-L245 PolarHBondContact O-N 3.1Å
244	S	97.1	Very high	96.6	Very high	19 Å²	19	47.9 Å²	47.9	13%	0.133	25%	0.25	C	C	.	.	H	α-helix	trans	-68.1	-18.4	179.9	75.3	0	0	0	0	114	T240 F241 V242 E246 E247 F248	T240-S244 WeakPolarHBondContact O-CB 3.48Å; T240-S244 PolarHBondContact O-N 3.42Å; F241-S244 PolarHBondContact O-N 3.18Å; F241-S244 VanDerWaalsContact O-N 3.15Å; F241-S244 PolarHBondContact O-OG 3.03Å; V242-S244 VanDerWaalsContact C-N 3.31Å; V242-S244 PolarHBondContact O-N 3.47Å; S244-E246 VanDerWaalsContact C-N 3.29Å; S244-E246 PolarHBondContact O-N 2.61Å; S244-E247 PolarHBondContact O-N 3.16Å; S244-F248 WeakPolarHBondContact O-CB 3.49Å; S244-F248 PolarHBondContact O-N 2.85Å; S244-F248 VanDerWaalsContact O-N 3.07Å
245	L	97.2	Very high	96.9	Very high	9 Å²	9	43.4 Å²	43.4	5%	0.047	23%	0.229	C	C	.	.	H	α-helix	trans	-68.8	-27.9	-176.8	-51	-176.1	0	0	0	112.6	A71 F241 V242 A243 Q249 P250 V253 I283	A71-L245 HydrophobicContact CB-CD2 3.54Å; F241-L245 HydrophobicContact CD2-CD2 4.3Å; F241-L245 HydrophobicContact CE1-CD2 4.26Å; F241-L245 HydrophobicContact CE2-CD2 3.95Å; F241-L245 HydrophobicContact CZ-CD2 3.94Å; F241-L245 WeakPolarHBondContact O-CD2 2.92Å; F241-L245 WeakPolarHBondContact O-CG 3.38Å; F241-L245 PolarHBondContact O-N 2.76Å; V242-L245 WeakPolarHBondContact O-CB 3.44Å; V242-L245 WeakPolarHBondContact O-CG 3.43Å; V242-L245 PolarHBondContact O-N 3.47Å; A243-L245 PolarHBondContact O-N 3.1Å; L245-Q249 WeakPolarHBondContact O-CA 3.38Å; L245-Q249 PolarHBondContact O-N 3.42Å; L245-P250 HydrophobicContact CB-CG 4.43Å; L245-P250 HydrophobicContact CD2-CG 4.15Å; L245-P250 WeakPolarHBondContact O-CD 3.22Å; L245-V253 HydrophobicContact CD1-CG2 4Å; L245-V253 HydrophobicContact CD2-CG2 4.43Å; L245-I283 HydrophobicContact CD1-CD1 3.96Å; L245-I283 HydrophobicContact CD1-CG1 3.82Å; L245-I283 HydrophobicContact CD1-CG2 4.28Å
246	E	94.9	Very high	97.1	Very high	172 Å²	172	43.3 Å²	43.3	80%	0.804	23%	0.229	S	C	*	.	H	α-helix	trans	-62.9	-45.6	179.3	-175.2	175.9	-173.3	0	0	111.5	S244 Q249	S244-E246 VanDerWaalsContact C-N 3.29Å; S244-E246 PolarHBondContact O-N 2.61Å; E246-Q249 WeakPolarHBondContact O-CG 3.47Å
247	E	96	Very high	97.1	Very high	184 Å²	184	41 Å²	41	86%	0.86	21%	0.212	S	C	*	.	H	α-helix	trans	-76.5	-43.1	177.9	-176.5	175.2	177.5	0	0	111.6	S244 Q249	S244-E247 PolarHBondContact O-N 3.16Å; E247-Q249 PolarHBondContact O-N 3.47Å
248	F	97.6	Very high	97	Very high	19 Å²	19	40.6 Å²	40.6	8%	0.083	21%	0.209	C	C	.	.	H	α-helix	trans	-70	-35.4	-174.4	-172.8	-111	0	0	0	112.8	K69 V70 A71 M169 L171 S244 P250	K69-F248 HydrophobicContact CB-CE1 3.91Å; K69-F248 HydrophobicContact CB-CZ 4.05Å; K69-F248 WeakPolarHBondContact CD-O 3.32Å; K69-F248 HydrophobicContact CG-CZ 4.34Å; K69-F248 PolarHBondContact NZ-O 3.02Å; V70-F248 WeakPolarHBondContact O-CE1 3.16Å; A71-F248 HydrophobicContact CB-CD1 4.15Å; A71-F248 HydrophobicContact CB-CE1 4.28Å; M169-F248 HydrophobicContact CB-CZ 4.47Å; M169-F248 HydrophobicContact CG-CE2 3.86Å; M169-F248 HydrophobicContact CG-CZ 4Å; M169-F248 HydrophobicContact SD-CE2 3.77Å; M169-F248 HydrophobicContact SD-CZ 4.36Å; L171-F248 HydrophobicContact CB-CD1 3.75Å; L171-F248 HydrophobicContact CB-CD2 3.88Å; L171-F248 HydrophobicContact CB-CE1 3.61Å; L171-F248 HydrophobicContact CB-CE2 3.73Å; L171-F248 HydrophobicContact CB-CG 3.89Å; L171-F248 HydrophobicContact CB-CZ 3.6Å; L171-F248 HydrophobicContact CD1-CB 3.64Å; L171-F248 HydrophobicContact CD1-CD1 4.11Å; L171-F248 HydrophobicContact CD1-CD2 3.76Å; L171-F248 HydrophobicContact CD1-CE2 4.44Å; L171-F248 HydrophobicContact CD1-CG 3.56Å; L171-F248 HydrophobicContact CG-CD2 4.48Å; L171-F248 HydrophobicContact CG-CG 4.36Å; S244-F248 WeakPolarHBondContact O-CB 3.49Å; S244-F248 PolarHBondContact O-N 2.85Å; S244-F248 VanDerWaalsContact O-N 3.07Å; F248-P250 HydrophobicContact CD1-CB 3.84Å; F248-P250 HydrophobicContact CD1-CG 4.28Å; F248-P250 HydrophobicContact CE1-CB 4.05Å
249	Q	97.4	Very high	96.7	Very high	141 Å²	141	41.9 Å²	41.9	66%	0.659	22%	0.215	S	C	*	.			trans	52.9	64	-176.8	-57.9	-173.6	-32.5	0	0	112.6	L245 E246 E247	L245-Q249 WeakPolarHBondContact O-CA 3.38Å; L245-Q249 PolarHBondContact O-N 3.42Å; E246-Q249 WeakPolarHBondContact O-CG 3.47Å; E247-Q249 PolarHBondContact O-N 3.47Å
250	P	97.9	Very high	96.4	Very high	6 Å²	6	40 Å²	40	4%	0.039	21%	0.207	C	C	.	.			trans	-69.8	154.9	179.9	30.1	-34.2	0	0	0	112.2	A71 L245 F248 V253 I287	A71-P250 HydrophobicContact CB-CB 3.79Å; A71-P250 HydrophobicContact CB-CG 3.91Å; L245-P250 HydrophobicContact CB-CG 4.43Å; L245-P250 HydrophobicContact CD2-CG 4.15Å; L245-P250 WeakPolarHBondContact O-CD 3.22Å; F248-P250 HydrophobicContact CD1-CB 3.84Å; F248-P250 HydrophobicContact CD1-CG 4.28Å; F248-P250 HydrophobicContact CE1-CB 4.05Å; P250-V253 HydrophobicContact CG-CG2 3.92Å; P250-I287 HydrophobicContact CG-CD1 4.38Å; P250-I287 WeakPolarHBondContact O-CD1 3.41Å
251	E	97.9	Very high	96.1	Very high	75 Å²	75	38 Å²	38	35%	0.35	20%	0.195	S	C	.	.	S	Bend	trans	-95.3	-14.8	172.5	-61	174.5	155	0	0	112.2	W67 T68 K69 P288	W67-E251 VanDerWaalsContact CA-OE2 3.25Å; W67-E251 WeakPolarHBondContact CA-OE2 3.21Å; W67-E251 HydrophobicContact CE3-CB 3.8Å; W67-E251 HydrophobicContact CZ3-CB 4.29Å; T68-E251 PolarHBondContact N-OE2 3.02Å; T68-E251 VanDerWaalsContact OG1-CD 3.29Å; T68-E251 PolarHBondContact OG1-OE1 3.46Å; T68-E251 VanDerWaalsContact OG1-OE1 3.1Å; T68-E251 PolarHBondContact OG1-OE2 3.13Å; K69-E251 PolarHBondContact O-N 3.28Å; E251-P288 VanDerWaalsContact O-CD 3.24Å; E251-P288 WeakPolarHBondContact O-CD 3.44Å; E251-P288 WeakPolarHBondContact O-CG 3.34Å
252	L	98.6	Very high	95.2	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	135.8	175.2	163.1	72.1	0	0	0	108.7	W67 V70 A71 F162 V254 P288 H290 L483	W67-L252 HydrophobicContact CD2-CB 4.38Å; W67-L252 HydrophobicContact CE3-CB 4.41Å; V70-L252 WeakPolarHBondContact CA-O 3.39Å; V70-L252 HydrophobicContact CG1-CD2 4.32Å; V70-L252 HydrophobicContact CG1-CG 4.36Å; V70-L252 HydrophobicContact CG2-CB 4.1Å; V70-L252 HydrophobicContact CG2-CD2 4.05Å; V70-L252 HydrophobicContact CG2-CG 4.39Å; A71-L252 PolarHBondContact N-O 3.39Å; F162-L252 HydrophobicContact CZ-CD2 4.36Å; L252-V254 HydrophobicContact CD1-CG2 4.43Å; L252-V254 HydrophobicContact CD2-CG2 4.19Å; L252-V254 HydrophobicContact CG-CG2 4.1Å; L252-P288 HydrophobicContact CB-CG 4.41Å; L252-P288 HydrophobicContact CD1-CB 4.34Å; L252-P288 HydrophobicContact CD1-CG 4.07Å; L252-H290 HydrophobicContact CD1-CB 4.49Å; L252-L483 HydrophobicContact CD1-CD2 4.38Å; L252-L483 HydrophobicContact CD2-CB 4.06Å; L252-L483 HydrophobicContact CD2-CD1 4.33Å; L252-L483 HydrophobicContact CD2-CD2 4.24Å; L252-L483 HydrophobicContact CD2-CG 4.44Å
253	V	98.8	Very high	94	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	136	171.6	168	0	0	0	0	108.9	A71 F241 L245 P250 L255 I283 I287 P288 I289 H290	A71-V253 HydrophobicContact CB-CG2 4.42Å; A71-V253 CarbonylContact O-C 3.46Å; A71-V253 WeakPolarHBondContact O-CA 3.35Å; F241-V253 HydrophobicContact CE1-CG1 3.77Å; F241-V253 HydrophobicContact CZ-CG1 3.89Å; L245-V253 HydrophobicContact CD1-CG2 4Å; L245-V253 HydrophobicContact CD2-CG2 4.43Å; P250-V253 HydrophobicContact CG-CG2 3.92Å; V253-L255 HydrophobicContact CG1-CD2 4.46Å; V253-L255 HydrophobicContact CG1-CG 4.07Å; V253-I283 HydrophobicContact CG1-CD1 4.17Å; V253-I283 HydrophobicContact CG2-CG2 4.42Å; V253-I287 HydrophobicContact CB-CG2 4.45Å; V253-I287 HydrophobicContact CG2-CG2 3.85Å; V253-P288 PolarHBondContact N-O 2.97Å; V253-I289 HydrophobicContact CB-CG1 4.15Å; V253-I289 HydrophobicContact CG1-CG1 4.35Å; V253-I289 HydrophobicContact CG1-CG2 4.25Å; V253-I289 CarbonylContact O-C 3.57Å; V253-I289 WeakPolarHBondContact O-CA 3.26Å; V253-H290 PolarHBondContact O-N 3.49Å
254	V	98.8	Very high	92.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	126.6	172.9	-174.8	0	0	0	0	110	V70 A71 V72 G73 I158 F162 L252 H290 L483	V70-V254 HydrophobicContact CG1-CG2 4.23Å; A71-V254 PolarHBondContact O-N 2.74Å; V72-V254 CarbonylContact C-O 3.58Å; V72-V254 VanDerWaalsContact CA-O 3.31Å; V72-V254 WeakPolarHBondContact CA-O 3.42Å; V72-V254 HydrophobicContact CG1-CB 4.1Å; V72-V254 HydrophobicContact CG1-CG1 4.34Å; V72-V254 HydrophobicContact CG2-CB 4.3Å; G73-V254 PolarHBondContact N-O 3.21Å; I158-V254 HydrophobicContact CD1-CG1 3.8Å; I158-V254 HydrophobicContact CG2-CB 4.41Å; I158-V254 HydrophobicContact CG2-CG1 3.98Å; F162-V254 HydrophobicContact CE2-CG2 3.87Å; F162-V254 HydrophobicContact CZ-CG2 4.16Å; L252-V254 HydrophobicContact CD1-CG2 4.43Å; L252-V254 HydrophobicContact CD2-CG2 4.19Å; L252-V254 HydrophobicContact CG-CG2 4.1Å; V254-H290 CarbonylContact C-O 3.51Å; V254-H290 WeakPolarHBondContact CA-O 3.22Å; V254-H290 HydrophobicContact CG1-CB 4.41Å; V254-H290 HydrophobicContact CG2-CB 4.22Å; V254-L483 HydrophobicContact CG2-CD1 3.91Å
255	L	98.4	Very high	92	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	141.5	-179.4	-69.4	173.6	0	0	0	110.8	G73 L238 F241 V253 I280 I289 H290 L291 E292	G73-L255 CarbonylContact O-C 3.52Å; G73-L255 WeakPolarHBondContact O-CA 3.49Å; L238-L255 HydrophobicContact CD1-CD2 4.23Å; F241-L255 HydrophobicContact CD1-CD2 3.84Å; F241-L255 HydrophobicContact CE1-CD2 3.46Å; F241-L255 VanDerWaalsContact CE1-CD2 3.46Å; F241-L255 HydrophobicContact CE1-CG 4.43Å; F241-L255 HydrophobicContact CZ-CD2 4.4Å; V253-L255 HydrophobicContact CG1-CD2 4.46Å; V253-L255 HydrophobicContact CG1-CG 4.07Å; L255-I280 HydrophobicContact CD1-CD1 3.6Å; L255-I280 HydrophobicContact CD1-CG1 3.69Å; L255-I280 HydrophobicContact CD1-CG2 4.42Å; L255-I289 HydrophobicContact CD1-CG2 3.74Å; L255-I289 HydrophobicContact CG-CG2 4.23Å; L255-H290 PolarHBondContact N-O 2.88Å; L255-L291 HydrophobicContact CB-CD1 4.24Å; L255-L291 CarbonylContact O-C 3.39Å; L255-L291 WeakPolarHBondContact O-CA 3.43Å; L255-E292 PolarHBondContact O-N 3.35Å
256	S	97.8	Very high	91.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.249	C	C	.	.			trans	-156.1	175.4	166.3	-161.3	0	0	0	0	110.2	G73 V74 N154 E292	G73-S256 PolarHBondContact O-N 2.98Å; V74-S256 PolarHBondContact N-O 3.18Å; V74-S256 VanDerWaalsContact N-O 3.16Å; N154-S256 VanDerWaalsContact CB-OG 3.25Å; N154-S256 WeakPolarHBondContact CB-OG 3.24Å; S256-E292 PolarHBondContact OG-O 3.49Å
257	G	94	Very high	91	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.25	C	S	.	.			trans	105.9	-8.2	179.3	0	0	0	0	0	115.7	N75 H259 M260	N75-G257 PolarHBondContact OD1-N 2.74Å; G257-H259 PolarHBondContact O-N 3.46Å; G257-M260 VanDerWaalsContact O-CB 3.32Å; G257-M260 WeakPolarHBondContact O-CB 3.41Å; G257-M260 PolarHBondContact O-N 2.83Å
258	F	94.5	Very high	90.5	Very high	3 Å²	3	43.4 Å²	43.4	1%	0.013	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-54.7	-37.9	180	-80.6	-88.8	0	0	0	113.7	M235 M260 M261 L273 A276 I280 L291 F301 L305 V309	M235-F258 HydrophobicContact CE-CD2 4.05Å; M235-F258 HydrophobicContact CE-CE2 3.97Å; M235-F258 HydrophobicContact CE-CG 4.44Å; M235-F258 HydrophobicContact CE-CZ 4.28Å; M235-F258 HydrophobicContact SD-CB 4.45Å; M235-F258 HydrophobicContact SD-CD1 4.1Å; M235-F258 HydrophobicContact SD-CD2 4.22Å; M235-F258 HydrophobicContact SD-CE1 4.39Å; M235-F258 HydrophobicContact SD-CG 4.02Å; F258-M260 PolarHBondContact O-N 3.46Å; F258-M260 VanDerWaalsContact O-N 3.16Å; F258-M261 HydrophobicContact CD1-CE 4.09Å; F258-M261 HydrophobicContact CE1-CE 4.25Å; F258-M261 WeakPolarHBondContact O-CB 3.23Å; F258-M261 WeakPolarHBondContact O-CG 3.21Å; F258-M261 PolarHBondContact O-N 2.85Å; F258-L273 HydrophobicContact CD1-CD1 3.78Å; F258-L273 HydrophobicContact CE1-CD1 3.62Å; F258-A276 HydrophobicContact CE1-CB 3.94Å; F258-A276 HydrophobicContact CZ-CB 4.21Å; F258-I280 HydrophobicContact CE2-CD1 4.2Å; F258-I280 HydrophobicContact CZ-CD1 3.66Å; F258-L291 HydrophobicContact CD2-CD1 3.6Å; F258-L291 HydrophobicContact CE2-CD1 3.85Å; F258-F301 HydrophobicContact CB-CE1 4.3Å; F258-F301 HydrophobicContact CB-CZ 4.22Å; F258-F301 HydrophobicContact CD1-CZ 4.49Å; F258-F301 WeakPolarHBondContact O-CZ 3.38Å; F258-L305 HydrophobicContact CB-CD1 3.89Å; F258-L305 HydrophobicContact CD1-CD1 4.5Å; F258-L305 HydrophobicContact CG-CD1 4.22Å; F258-V309 HydrophobicContact CE1-CG2 4.23Å; F258-V309 HydrophobicContact CZ-CG1 4.42Å
259	H	89.8	Confident	90.2	Very high	28 Å²	28	42.7 Å²	42.7	13%	0.13	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-60	-24.6	178.2	60.1	-88.5	0	0	0	113.6	N154 G257 M261 E262 A294 M296	N154-H259 PolarHBondContact OD1-CE1 3.36Å; G257-H259 PolarHBondContact O-N 3.46Å; H259-M261 PolarHBondContact O-N 3.12Å; H259-E262 PolarHBondContact O-N 3.16Å; H259-A294 WeakPolarHBondContact CB-O 3.31Å; H259-A294 PolarHBondContact ND1-O 3.34Å; H259-M296 VanDerWaalsContact CA-SD 3.58Å; H259-M296 HydrophobicContact CB-CG 4.29Å; H259-M296 HydrophobicContact CB-SD 3.37Å; H259-M296 WeakPolarHBondContact CB-SD 3.32Å
260	M	89.8	Confident	89.9	Confident	44 Å²	44	36.4 Å²	36.4	22%	0.217	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-72	-17.6	178.7	-56.1	-163.8	65.6	0	0	112.3	N75 D229 N232 G233 G257 F258 E262	N75-M260 HydrophobicContact CB-SD 3.84Å; D229-M260 WeakPolarHBondContact OD2-CE 3.17Å; N232-M260 HydrophobicContact CB-CE 3.55Å; N232-M260 HydrophobicContact CB-SD 3.5Å; N232-M260 WeakPolarHBondContact CB-SD 3.33Å; G233-M260 WeakPolarHBondContact CA-O 3.22Å; G257-M260 VanDerWaalsContact O-CB 3.32Å; G257-M260 WeakPolarHBondContact O-CB 3.41Å; G257-M260 PolarHBondContact O-N 2.83Å; F258-M260 PolarHBondContact O-N 3.46Å; F258-M260 VanDerWaalsContact O-N 3.16Å; M260-E262 VanDerWaalsContact C-N 3.31Å; M260-E262 PolarHBondContact O-N 3.23Å
261	M	89.8	Confident	89.7	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-70.8	-22.6	175.6	-59.8	-168.7	-174.1	0	0	113.4	G233 M235 F258 H259 G263 Q264 W269 R272 A276 F301	G233-M261 WeakPolarHBondContact O-CA 3.42Å; G233-M261 WeakPolarHBondContact O-CG 3.34Å; M235-M261 HydrophobicContact CB-CE 4.04Å; M235-M261 HydrophobicContact CG-CE 3.74Å; M235-M261 HydrophobicContact CG-CG 4.31Å; M235-M261 HydrophobicContact SD-CE 3.16Å; M235-M261 WeakPolarHBondContact SD-CE 3.26Å; M235-M261 HydrophobicContact SD-CG 4.29Å; M235-M261 HydrophobicContact SD-SD 4.46Å; F258-M261 HydrophobicContact CD1-CE 4.09Å; F258-M261 HydrophobicContact CE1-CE 4.25Å; F258-M261 WeakPolarHBondContact O-CB 3.23Å; F258-M261 WeakPolarHBondContact O-CG 3.21Å; F258-M261 PolarHBondContact O-N 2.85Å; H259-M261 PolarHBondContact O-N 3.12Å; M261-G263 PolarHBondContact O-N 2.88Å; M261-G263 VanDerWaalsContact O-N 3.11Å; M261-Q264 WeakPolarHBondContact O-CB 3.38Å; M261-Q264 WeakPolarHBondContact O-CG 3.34Å; M261-Q264 PolarHBondContact O-N 2.83Å; M261-W269 HydrophobicContact CB-CB 3.9Å; M261-W269 WeakPolarHBondContact O-CB 3.49Å; M261-R272 HydrophobicContact CE-CB 4.43Å; M261-R272 HydrophobicContact CE-CG 3.65Å; M261-R272 HydrophobicContact SD-CB 4.13Å; M261-R272 HydrophobicContact SD-CG 3.89Å; M261-A276 HydrophobicContact CE-CB 4.21Å; M261-F301 HydrophobicContact CB-CE2 3.77Å; M261-F301 HydrophobicContact CB-CZ 4.08Å; M261-F301 HydrophobicContact CG-CE2 4.5Å; M261-F301 HydrophobicContact SD-CE2 4.2Å; M261-F301 HydrophobicContact SD-CZ 4.31Å
262	E	79.8	Confident	89.5	Confident	26 Å²	26	39.3 Å²	39.3	12%	0.121	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-55.9	-34.8	-174.8	-70.5	-172.8	-158.8	0	0	112.2	H259 M260 Q264 M296 T297 D298 F301	H259-E262 PolarHBondContact O-N 3.16Å; M260-E262 VanDerWaalsContact C-N 3.31Å; M260-E262 PolarHBondContact O-N 3.23Å; E262-Q264 PolarHBondContact O-N 3.05Å; E262-M296 VanDerWaalsContact OE1-CA 3.24Å; E262-M296 WeakPolarHBondContact OE1-CA 3.39Å; E262-M296 WeakPolarHBondContact OE1-CE 3.38Å; E262-T297 PolarHBondContact OE1-N 3.3Å; E262-T297 WeakPolarHBondContact OE2-CA 3.32Å; E262-T297 PolarHBondContact OE2-N 2.98Å; E262-T297 PolarHBondContact OE2-OG1 2.75Å; E262-D298 HydrophobicContact CG-CB 4.04Å; E262-D298 WeakPolarHBondContact OE2-CB 3.46Å; E262-D298 PolarHBondContact OE2-N 3.16Å; E262-F301 HydrophobicContact CG-CB 4.22Å; E262-F301 HydrophobicContact CG-CD1 4.18Å; E262-F301 HydrophobicContact CG-CD2 4.31Å; E262-F301 HydrophobicContact CG-CG 3.97Å
263	G	71.8	Confident	89.4	Confident	79 Å²	79	39.3 Å²	39.3	81%	0.814	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-69.2	-8.8	-178.6	0	0	0	0	0	115.6	M261	M261-G263 PolarHBondContact O-N 2.88Å; M261-G263 VanDerWaalsContact O-N 3.11Å
264	Q	73.2	Confident	89.2	Confident	46 Å²	46	45.3 Å²	45.3	22%	0.215	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-88.6	-9.4	-174.8	-55	-160.5	-33.9	0	0	113.9	G233 M261 E262 L268	G233-Q264 VanDerWaalsContact O-CD 3.24Å; G233-Q264 PolarHBondContact O-NE2 2.93Å; G233-Q264 VanDerWaalsContact O-NE2 3.16Å; G233-Q264 PolarHBondContact O-OE1 3.39Å; M261-Q264 WeakPolarHBondContact O-CB 3.38Å; M261-Q264 WeakPolarHBondContact O-CG 3.34Å; M261-Q264 PolarHBondContact O-N 2.83Å; E262-Q264 PolarHBondContact O-N 3.05Å; Q264-L268 HydrophobicContact CB-CB 4.1Å; Q264-L268 WeakPolarHBondContact O-CD1 3.39Å
265	G	78.1	Confident	89	Confident	37 Å²	37	49 Å²	49	38%	0.381	26%	0.261	S	S	.	.			trans	84.9	152.4	-173.9	0	0	0	0	0	113.2	E267 L268 W269	G265-E267 PolarHBondContact O-N 2.77Å; G265-L268 PolarHBondContact O-N 3.18Å; G265-W269 VanDerWaalsContact O-CD1 3.24Å; G265-W269 PolarHBondContact O-N 3.24Å; G265-W269 VanDerWaalsContact O-N 3.08Å
266	K	85.2	Confident	88.8	Confident	123 Å²	123	49 Å²	49	54%	0.535	26%	0.26	S	S	.	.	H	α-helix	trans	-59	-36.6	-162	-170.2	170.3	-179.7	174.6	0	116.2	W269 G270 D300	K266-W269 HydrophobicContact CG-CZ2 3.82Å; K266-G270 WeakPolarHBondContact O-CA 3.38Å; K266-G270 PolarHBondContact O-N 3.32Å; K266-D300 IonicContact NZ-OD2 3.89Å; K266-D300 PolarHBondContact NZ-OD2 3.14Å
267	E	86.3	Confident	88.7	Confident	176 Å²	176	50.4 Å²	50.4	82%	0.822	27%	0.269	S	S	*	.	H	α-helix	trans	-72	-45.5	-179.8	-172.3	171.5	-173.5	0	0	111.4	G265 G270 Q271	G265-E267 PolarHBondContact O-N 2.77Å; E267-G270 PolarHBondContact O-N 3.17Å; E267-Q271 PolarHBondContact O-N 3.25Å; E267-Q271 VanDerWaalsContact O-N 3.07Å
268	L	85.8	Confident	88.8	Confident	106 Å²	106	53 Å²	53	56%	0.555	29%	0.291	S	S	*	.	H	α-helix	trans	-66.4	-52.5	-178.3	-69.6	179.6	0	0	0	111.2	Q264 G265 G270 Q271 R272	Q264-L268 HydrophobicContact CB-CB 4.1Å; Q264-L268 WeakPolarHBondContact O-CD1 3.39Å; G265-L268 PolarHBondContact O-N 3.18Å; L268-G270 PolarHBondContact O-N 3.07Å; L268-Q271 PolarHBondContact O-N 3.11Å; L268-R272 WeakPolarHBondContact O-CB 3.46Å; L268-R272 PolarHBondContact O-N 3.32Å
269	W	90.6	Very high	88.8	Confident	4 Å²	4	53.4 Å²	53.4	2%	0.015	30%	0.295	C	S	.	.	H	α-helix	trans	-63.9	-32.9	176.6	75	-126.2	0	0	0	111.2	M261 G265 K266 Q271 R272 L273 D300 F301 R304	M261-W269 HydrophobicContact CB-CB 3.9Å; M261-W269 WeakPolarHBondContact O-CB 3.49Å; G265-W269 VanDerWaalsContact O-CD1 3.24Å; G265-W269 PolarHBondContact O-N 3.24Å; G265-W269 VanDerWaalsContact O-N 3.08Å; K266-W269 HydrophobicContact CG-CZ2 3.82Å; W269-Q271 VanDerWaalsContact C-N 3.32Å; W269-Q271 PolarHBondContact O-N 3.16Å; W269-R272 PolarHBondContact O-N 3.33Å; W269-L273 HydrophobicContact CE3-CB 4.45Å; W269-L273 HydrophobicContact CE3-CD2 4.34Å; W269-L273 HydrophobicContact CZ3-CD2 3.97Å; W269-L273 VanDerWaalsContact O-CB 3.23Å; W269-L273 WeakPolarHBondContact O-CB 3.34Å; W269-L273 PolarHBondContact O-N 3.47Å; W269-D300 HydrophobicContact CZ2-CB 4.35Å; W269-F301 HydrophobicContact CB-CD2 4.28Å; W269-F301 HydrophobicContact CB-CE2 4.14Å; W269-F301 AromaticContact CD2-CD2 3.34Å; W269-F301 HydrophobicContact CD2-CD2 3.34Å; W269-F301 AromaticContact CD2-CE2 3.93Å; W269-F301 HydrophobicContact CD2-CE2 3.93Å; W269-F301 HydrophobicContact CD2-CG 4.41Å; W269-F301 AromaticContact CE2-CD2 3.67Å; W269-F301 AromaticContact CE3-CD2 3.3Å; W269-F301 HydrophobicContact CE3-CD2 3.3Å; W269-F301 AromaticContact CE3-CE2 3.68Å; W269-F301 HydrophobicContact CE3-CE2 3.68Å; W269-F301 HydrophobicContact CE3-CG 4.33Å; W269-F301 AromaticContact CG-CD2 3.76Å; W269-F301 HydrophobicContact CG-CD2 3.76Å; W269-F301 HydrophobicContact CG-CE2 4.12Å; W269-F301 HydrophobicContact CH2-CB 4.09Å; W269-F301 HydrophobicContact CH2-CD2 4.14Å; W269-F301 HydrophobicContact CH2-CG 4.47Å; W269-F301 HydrophobicContact CZ2-CB 3.86Å; W269-F301 HydrophobicContact CZ2-CD2 4.09Å; W269-F301 HydrophobicContact CZ2-CG 4.44Å; W269-F301 HydrophobicContact CZ3-CB 4.47Å; W269-F301 AromaticContact CZ3-CD2 3.73Å; W269-F301 HydrophobicContact CZ3-CD2 3.73Å; W269-F301 HydrophobicContact CZ3-CE2 4.32Å; W269-F301 HydrophobicContact CZ3-CG 4.37Å; W269-R304 HydrophobicContact CH2-CB 4.23Å; W269-R304 HydrophobicContact CZ3-CB 4.16Å; W269-R304 HydrophobicContact CZ3-CG 4.39Å
270	G	91.9	Very high	89	Confident	9 Å²	9	52.2 Å²	52.2	9%	0.093	29%	0.289	C	S	.	.	H	α-helix	trans	-65.5	-32.9	-179.5	0	0	0	0	0	113.8	K266 E267 L268 R304	K266-G270 WeakPolarHBondContact O-CA 3.38Å; K266-G270 PolarHBondContact O-N 3.32Å; E267-G270 PolarHBondContact O-N 3.17Å; L268-G270 PolarHBondContact O-N 3.07Å; G270-R304 PolarHBondContact O-NH1 3.47Å
271	Q	92.6	Very high	89	Confident	116 Å²	116	53.2 Å²	53.2	54%	0.542	31%	0.305	S	S	.	.	H	α-helix	trans	-76.1	-49.3	170.2	178.6	176.9	-13	0	0	110.6	E267 L268 W269 L273 K274 E275	E267-Q271 PolarHBondContact O-N 3.25Å; E267-Q271 VanDerWaalsContact O-N 3.07Å; L268-Q271 PolarHBondContact O-N 3.11Å; W269-Q271 VanDerWaalsContact C-N 3.32Å; W269-Q271 PolarHBondContact O-N 3.16Å; Q271-L273 VanDerWaalsContact C-N 3.29Å; Q271-L273 PolarHBondContact O-N 2.81Å; Q271-K274 WeakPolarHBondContact O-CB 3.39Å; Q271-K274 PolarHBondContact O-N 3.32Å; Q271-E275 WeakPolarHBondContact CG-OE1 3.29Å; Q271-E275 PolarHBondContact NE2-OE1 2.8Å; Q271-E275 PolarHBondContact O-N 2.92Å
272	R	94.5	Very high	89.1	Confident	27 Å²	27	59.3 Å²	59.3	10%	0.102	34%	0.337	C	S	.	.	H	α-helix	trans	-60.6	-38.1	-176.5	-173.6	60.7	-171.1	149.3	-2.6	112.8	E234 M235 E239 M261 L268 W269 K274 E275 A276	E234-R272 WeakPolarHBondContact O-CD 3.4Å; E234-R272 PolarHBondContact O-NE 2.91Å; M235-R272 PolarHBondContact O-NH2 3.29Å; E239-R272 IonicContact OE1-CZ 3.39Å; E239-R272 IonicContact OE1-NH1 2.87Å; E239-R272 PolarHBondContact OE1-NH1 2.6Å; E239-R272 IonicContact OE1-NH2 3.49Å; E239-R272 PolarHBondContact OE1-NH2 3.14Å; E239-R272 VanDerWaalsContact OE1-NH2 3.1Å; E239-R272 IonicContact OE2-CZ 3.56Å; E239-R272 IonicContact OE2-NH1 2.79Å; E239-R272 IonicContact OE2-NH2 3.85Å; E239-R272 PolarHBondContact OE2-NH2 2.93Å; M261-R272 HydrophobicContact CE-CB 4.43Å; M261-R272 HydrophobicContact CE-CG 3.65Å; M261-R272 HydrophobicContact SD-CB 4.13Å; M261-R272 HydrophobicContact SD-CG 3.89Å; L268-R272 WeakPolarHBondContact O-CB 3.46Å; L268-R272 PolarHBondContact O-N 3.32Å; W269-R272 PolarHBondContact O-N 3.33Å; R272-K274 VanDerWaalsContact C-N 3.31Å; R272-K274 PolarHBondContact O-N 3.07Å; R272-E275 IonicContact NH1-OE2 3.13Å; R272-E275 PolarHBondContact NH1-OE2 3.18Å; R272-E275 PolarHBondContact O-N 3.5Å; R272-A276 WeakPolarHBondContact O-CB 3.3Å; R272-A276 PolarHBondContact O-N 3.36Å
273	L	95.3	Very high	89.7	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-60.7	-37.9	174.9	-179.8	64.5	0	0	0	112.3	F258 W269 Q271 A276 V277 R304 V309	F258-L273 HydrophobicContact CD1-CD1 3.78Å; F258-L273 HydrophobicContact CE1-CD1 3.62Å; W269-L273 HydrophobicContact CE3-CB 4.45Å; W269-L273 HydrophobicContact CE3-CD2 4.34Å; W269-L273 HydrophobicContact CZ3-CD2 3.97Å; W269-L273 VanDerWaalsContact O-CB 3.23Å; W269-L273 WeakPolarHBondContact O-CB 3.34Å; W269-L273 PolarHBondContact O-N 3.47Å; Q271-L273 VanDerWaalsContact C-N 3.29Å; Q271-L273 PolarHBondContact O-N 2.81Å; L273-A276 PolarHBondContact O-N 2.83Å; L273-V277 HydrophobicContact CD1-CG2 4.36Å; L273-V277 WeakPolarHBondContact O-CB 3.33Å; L273-V277 WeakPolarHBondContact O-CG2 3.44Å; L273-V277 PolarHBondContact O-N 3.45Å; L273-R304 HydrophobicContact CD2-CB 3.92Å; L273-R304 HydrophobicContact CD2-CG 3.7Å; L273-V309 HydrophobicContact CD1-CG2 3.75Å
274	K	94.8	Very high	90.6	Very high	126 Å²	126	58.5 Å²	58.5	55%	0.548	32%	0.319	S	S	.	.	H	α-helix	trans	-67	-42.1	177.5	-70	174.3	179.7	177.7	0	111.6	Q271 R272 A276 V277 A278	Q271-K274 WeakPolarHBondContact O-CB 3.39Å; Q271-K274 PolarHBondContact O-N 3.32Å; R272-K274 VanDerWaalsContact C-N 3.31Å; R272-K274 PolarHBondContact O-N 3.07Å; K274-A276 VanDerWaalsContact C-N 3.33Å; K274-V277 PolarHBondContact O-N 3.13Å; K274-A278 PolarHBondContact O-N 3.25Å
275	E	94.9	Very high	91.2	Very high	78 Å²	78	66.1 Å²	66.1	36%	0.364	35%	0.352	S	S	.	.	H	α-helix	trans	-62.3	-43.9	175.2	-65.9	166.9	-174.1	0	0	110.3	Q271 R272 V277 A278 A279	Q271-E275 WeakPolarHBondContact CG-OE1 3.29Å; Q271-E275 PolarHBondContact NE2-OE1 2.8Å; Q271-E275 PolarHBondContact O-N 2.92Å; R272-E275 IonicContact NH1-OE2 3.13Å; R272-E275 PolarHBondContact NH1-OE2 3.18Å; R272-E275 PolarHBondContact O-N 3.5Å; E275-V277 PolarHBondContact O-N 2.96Å; E275-A278 WeakPolarHBondContact O-CB 3.31Å; E275-A278 PolarHBondContact O-N 3.18Å; E275-A279 PolarHBondContact O-N 3.21Å
276	A	95.3	Very high	91.6	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-62.1	-44.5	176.7	0	0	0	0	0	112.8	L238 F258 M261 R272 L273 K274 A278 A279 I280	L238-A276 VanDerWaalsContact CD2-CA 3.42Å; L238-A276 HydrophobicContact CD2-CB 3.34Å; F258-A276 HydrophobicContact CE1-CB 3.94Å; F258-A276 HydrophobicContact CZ-CB 4.21Å; M261-A276 HydrophobicContact CE-CB 4.21Å; R272-A276 WeakPolarHBondContact O-CB 3.3Å; R272-A276 PolarHBondContact O-N 3.36Å; L273-A276 PolarHBondContact O-N 2.83Å; K274-A276 VanDerWaalsContact C-N 3.33Å; A276-A278 VanDerWaalsContact C-N 3.32Å; A276-A278 PolarHBondContact O-N 2.89Å; A276-A279 PolarHBondContact O-N 2.86Å; A276-I280 VanDerWaalsContact O-CG1 3.25Å; A276-I280 WeakPolarHBondContact O-CG1 3.4Å; A276-I280 PolarHBondContact O-N 3.48Å
277	V	95.5	Very high	92.1	Very high	30 Å²	30	63.2 Å²	63.2	18%	0.182	35%	0.349	C	S	.	.	H	α-helix	trans	-60.6	-41.7	175.4	166.4	0	0	0	0	111.1	L273 K274 E275 I280 A281 E308 V309 I312	L273-V277 HydrophobicContact CD1-CG2 4.36Å; L273-V277 WeakPolarHBondContact O-CB 3.33Å; L273-V277 WeakPolarHBondContact O-CG2 3.44Å; L273-V277 PolarHBondContact O-N 3.45Å; K274-V277 PolarHBondContact O-N 3.13Å; E275-V277 PolarHBondContact O-N 2.96Å; V277-I280 PolarHBondContact O-N 3.44Å; V277-A281 WeakPolarHBondContact O-CB 3.33Å; V277-A281 PolarHBondContact O-N 3.46Å; V277-E308 HydrophobicContact CG2-CB 3.95Å; V277-V309 HydrophobicContact CG2-CG2 3.85Å; V277-I312 HydrophobicContact CG1-CD1 4.06Å
278	A	95.4	Very high	92.6	Very high	55 Å²	55	55.1 Å²	55.1	46%	0.455	31%	0.311	S	S	.	.	H	α-helix	trans	-63.3	-45.3	175.6	0	0	0	0	0	111.7	K274 E275 A276 I280 A281 D282	K274-A278 PolarHBondContact O-N 3.25Å; E275-A278 WeakPolarHBondContact O-CB 3.31Å; E275-A278 PolarHBondContact O-N 3.18Å; A276-A278 VanDerWaalsContact C-N 3.32Å; A276-A278 PolarHBondContact O-N 2.89Å; A278-I280 PolarHBondContact O-N 2.87Å; A278-A281 WeakPolarHBondContact O-CB 3.26Å; A278-A281 PolarHBondContact O-N 3.27Å; A278-D282 PolarHBondContact O-N 3.34Å
279	A	94.6	Very high	93.2	Very high	12 Å²	12	50.6 Å²	50.6	10%	0.099	29%	0.288	C	S	.	.	H	α-helix	trans	-62.8	-39.7	177.6	0	0	0	0	0	112.4	L238 V242 E275 A276 A281 D282	L238-A279 HydrophobicContact CD2-CB 4.38Å; L238-A279 HydrophobicContact CG-CB 4.34Å; V242-A279 WeakPolarHBondContact CG1-O 3.47Å; V242-A279 HydrophobicContact CG2-CB 4.11Å; E275-A279 PolarHBondContact O-N 3.21Å; A276-A279 PolarHBondContact O-N 2.86Å; A279-A281 VanDerWaalsContact C-N 3.32Å; A279-A281 PolarHBondContact O-N 3.01Å; A279-D282 PolarHBondContact O-N 3.31Å
280	I	93.6	Very high	93.6	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.015	29%	0.287	C	S	.	.	H	α-helix	trans	-66.5	-36	176	-67.1	168.4	0	0	0	111.1	L255 F258 A276 V277 A278 D282 I283 I289 I312	L255-I280 HydrophobicContact CD1-CD1 3.6Å; L255-I280 HydrophobicContact CD1-CG1 3.69Å; L255-I280 HydrophobicContact CD1-CG2 4.42Å; F258-I280 HydrophobicContact CE2-CD1 4.2Å; F258-I280 HydrophobicContact CZ-CD1 3.66Å; A276-I280 VanDerWaalsContact O-CG1 3.25Å; A276-I280 WeakPolarHBondContact O-CG1 3.4Å; A276-I280 PolarHBondContact O-N 3.48Å; V277-I280 PolarHBondContact O-N 3.44Å; A278-I280 PolarHBondContact O-N 2.87Å; I280-D282 PolarHBondContact O-N 3.42Å; I280-I283 HydrophobicContact CG2-CD1 4.35Å; I280-I283 VanDerWaalsContact O-CB 3.27Å; I280-I283 WeakPolarHBondContact O-CB 3.43Å; I280-I283 VanDerWaalsContact O-CG1 3.3Å; I280-I283 WeakPolarHBondContact O-CG1 3.31Å; I280-I283 PolarHBondContact O-N 3.05Å; I280-I283 VanDerWaalsContact O-N 3.08Å; I280-I289 HydrophobicContact CG2-CD1 3.94Å; I280-I312 HydrophobicContact CB-CD1 3.98Å; I280-I312 HydrophobicContact CG2-CD1 3.66Å; I280-I312 HydrophobicContact CG2-CG1 4.2Å
281	A	90.2	Very high	94	Very high	65 Å²	65	50 Å²	50	54%	0.537	28%	0.282	S	S	.	.	H	α-helix	trans	-66.4	-19.9	177.9	0	0	0	0	0	113.6	V277 A278 A279 I283	V277-A281 WeakPolarHBondContact O-CB 3.33Å; V277-A281 PolarHBondContact O-N 3.46Å; A278-A281 WeakPolarHBondContact O-CB 3.26Å; A278-A281 PolarHBondContact O-N 3.27Å; A279-A281 VanDerWaalsContact C-N 3.32Å; A279-A281 PolarHBondContact O-N 3.01Å; A281-I283 VanDerWaalsContact C-N 3.27Å
282	D	91.5	Very high	94.2	Very high	127 Å²	127	44.7 Å²	44.7	68%	0.679	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-11	174.3	-69.9	-24.7	0	0	0	112.8	V242 A278 A279 I280	V242-D282 HydrophobicContact CG1-CB 4.33Å; A278-D282 PolarHBondContact O-N 3.34Å; A279-D282 PolarHBondContact O-N 3.31Å; I280-D282 PolarHBondContact O-N 3.42Å
283	I	93.7	Very high	94.3	Very high	10 Å²	10	43.7 Å²	43.7	5%	0.051	25%	0.254	C	S	.	.	S	Bend	trans	-66.9	132.7	174.3	-57.9	178.8	0	0	0	109.3	V242 L245 V253 I280 A281 K285 I287 I289	V242-I283 HydrophobicContact CG2-CG1 4.48Å; L245-I283 HydrophobicContact CD1-CD1 3.96Å; L245-I283 HydrophobicContact CD1-CG1 3.82Å; L245-I283 HydrophobicContact CD1-CG2 4.28Å; V253-I283 HydrophobicContact CG1-CD1 4.17Å; V253-I283 HydrophobicContact CG2-CG2 4.42Å; I280-I283 HydrophobicContact CG2-CD1 4.35Å; I280-I283 VanDerWaalsContact O-CB 3.27Å; I280-I283 WeakPolarHBondContact O-CB 3.43Å; I280-I283 VanDerWaalsContact O-CG1 3.3Å; I280-I283 WeakPolarHBondContact O-CG1 3.31Å; I280-I283 PolarHBondContact O-N 3.05Å; I280-I283 VanDerWaalsContact O-N 3.08Å; A281-I283 VanDerWaalsContact C-N 3.27Å; I283-K285 PolarHBondContact O-N 3.02Å; I283-I287 HydrophobicContact CG2-CB 4.43Å; I283-I289 HydrophobicContact CB-CD1 4.15Å; I283-I289 HydrophobicContact CD1-CD1 3.91Å; I283-I289 HydrophobicContact CD1-CG1 4.34Å; I283-I289 HydrophobicContact CG2-CD1 4.09Å; I283-I289 HydrophobicContact CG2-CG1 4.35Å
284	P	90.6	Very high	94	Very high	78 Å²	78	44.2 Å²	44.2	51%	0.506	26%	0.259	S	S	.	.			trans	-53.5	129.1	-179.2	-28.5	34.2	0	0	0	113.8	G286 I287	P284-G286 PolarHBondContact O-N 3.5Å; P284-I287 HydrophobicContact CB-CD1 4.02Å; P284-I287 HydrophobicContact CB-CG1 4.35Å; P284-I287 HydrophobicContact CG-CD1 4.03Å; P284-I287 PolarHBondContact O-N 3.07Å
285	K	84.6	Confident	93.3	Very high	207 Å²	207	42.5 Å²	42.5	90%	0.9	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	6.3	-175.9	-64.2	-160.7	174.4	-160.8	0	117.2	I283	I283-K285 PolarHBondContact O-N 3.02Å
286	G	86.7	Confident	92.7	Very high	67 Å²	67	39.5 Å²	39.5	69%	0.691	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.4	-5.2	176	0	0	0	0	0	114.3	P284	P284-G286 PolarHBondContact O-N 3.5Å
287	I	95.7	Very high	92.1	Very high	32 Å²	32	45 Å²	45	16%	0.164	28%	0.282	C	S	.	.	S	Bend	trans	-98.9	118.8	-177.7	-57	173.4	0	0	0	107.9	P250 V253 I283 P284	P250-I287 HydrophobicContact CG-CD1 4.38Å; P250-I287 WeakPolarHBondContact O-CD1 3.41Å; V253-I287 HydrophobicContact CB-CG2 4.45Å; V253-I287 HydrophobicContact CG2-CG2 3.85Å; I283-I287 HydrophobicContact CG2-CB 4.43Å; P284-I287 HydrophobicContact CB-CD1 4.02Å; P284-I287 HydrophobicContact CB-CG1 4.35Å; P284-I287 HydrophobicContact CG-CD1 4.03Å; P284-I287 PolarHBondContact O-N 3.07Å
288	P	97.5	Very high	91.8	Very high	5 Å²	5	45.6 Å²	45.6	3%	0.032	28%	0.284	C	S	.	.			trans	-64	138.7	175.5	27.8	-35.3	0	0	0	110.6	W67 E251 L252 V253 S314 W391 L488	W67-P288 HydrophobicContact CH2-CG 4.3Å; E251-P288 VanDerWaalsContact O-CD 3.24Å; E251-P288 WeakPolarHBondContact O-CD 3.44Å; E251-P288 WeakPolarHBondContact O-CG 3.34Å; L252-P288 HydrophobicContact CB-CG 4.41Å; L252-P288 HydrophobicContact CD1-CB 4.34Å; L252-P288 HydrophobicContact CD1-CG 4.07Å; V253-P288 PolarHBondContact N-O 2.97Å; P288-S314 WeakPolarHBondContact CA-OG 3.33Å; P288-W391 HydrophobicContact CB-CH2 4.32Å; P288-L488 HydrophobicContact CB-CD2 4.37Å; P288-L488 HydrophobicContact CG-CD2 4.1Å
289	I	98.6	Very high	91.7	Very high	12 Å²	12	48 Å²	48	6%	0.062	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	123.7	176.5	-58.7	160.2	0	0	0	108.6	V253 L255 I280 I283 V313 S314 S315	V253-I289 HydrophobicContact CB-CG1 4.15Å; V253-I289 HydrophobicContact CG1-CG1 4.35Å; V253-I289 HydrophobicContact CG1-CG2 4.25Å; V253-I289 CarbonylContact O-C 3.57Å; V253-I289 WeakPolarHBondContact O-CA 3.26Å; L255-I289 HydrophobicContact CD1-CG2 3.74Å; L255-I289 HydrophobicContact CG-CG2 4.23Å; I280-I289 HydrophobicContact CG2-CD1 3.94Å; I283-I289 HydrophobicContact CB-CD1 4.15Å; I283-I289 HydrophobicContact CD1-CD1 3.91Å; I283-I289 HydrophobicContact CD1-CG1 4.34Å; I283-I289 HydrophobicContact CG2-CD1 4.09Å; I283-I289 HydrophobicContact CG2-CG1 4.35Å; I289-V313 HydrophobicContact CB-CB 4.36Å; I289-V313 HydrophobicContact CB-CG1 4.36Å; I289-V313 HydrophobicContact CG2-CB 4.22Å; I289-V313 HydrophobicContact CG2-CG1 3.79Å; I289-S314 PolarHBondContact N-OG 2.95Å; I289-S314 WeakPolarHBondContact O-CA 3.46Å; I289-S314 PolarHBondContact O-N 3.4Å; I289-S315 PolarHBondContact O-N 2.83Å
290	H	98.8	Very high	91.6	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	131.2	170.1	-178.5	83.6	0	0	0	110.3	L252 V253 V254 L255 E292 S315 G317 L483	L252-H290 HydrophobicContact CD1-CB 4.49Å; V253-H290 PolarHBondContact O-N 3.49Å; V254-H290 CarbonylContact C-O 3.51Å; V254-H290 WeakPolarHBondContact CA-O 3.22Å; V254-H290 HydrophobicContact CG1-CB 4.41Å; V254-H290 HydrophobicContact CG2-CB 4.22Å; L255-H290 PolarHBondContact N-O 2.88Å; H290-E292 IonicContact NE2-OE2 2.77Å; H290-E292 PolarHBondContact NE2-OE2 3.36Å; H290-S315 CarbonylContact C-O 3.57Å; H290-S315 VanDerWaalsContact CA-O 3.27Å; H290-S315 WeakPolarHBondContact CA-O 3.49Å; H290-S315 WeakPolarHBondContact ND1-CB 3.37Å; H290-S315 PolarHBondContact ND1-OG 2.94Å; H290-G317 PolarHBondContact CE1-N 3.09Å; H290-L483 HydrophobicContact CB-CD1 3.93Å; H290-L483 HydrophobicContact CB-CD2 4.1Å
291	L	98.7	Very high	91.6	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	114.9	172.5	174.9	66.5	0	0	0	110.5	L255 F258 L293 L305 V309 V313 S315 I316 G317	L255-L291 HydrophobicContact CB-CD1 4.24Å; L255-L291 CarbonylContact O-C 3.39Å; L255-L291 WeakPolarHBondContact O-CA 3.43Å; F258-L291 HydrophobicContact CD2-CD1 3.6Å; F258-L291 HydrophobicContact CE2-CD1 3.85Å; L291-L293 HydrophobicContact CD2-CD2 3.75Å; L291-L293 HydrophobicContact CD2-CG 4.38Å; L291-L293 HydrophobicContact CG-CD2 3.97Å; L291-L293 HydrophobicContact CG-CG 4.36Å; L291-L305 HydrophobicContact CD2-CD2 4.06Å; L291-V309 HydrophobicContact CD2-CG1 3.74Å; L291-V313 HydrophobicContact CB-CG1 4.28Å; L291-V313 HydrophobicContact CB-CG2 4.28Å; L291-S315 PolarHBondContact N-O 2.95Å; L291-I316 HydrophobicContact CB-CG2 4.15Å; L291-I316 CarbonylContact O-C 3.47Å; L291-I316 WeakPolarHBondContact O-CA 3.37Å; L291-G317 PolarHBondContact O-N 3.08Å
292	E	98.6	Very high	91.7	Very high	5 Å²	5	48.1 Å²	48.1	2%	0.023	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	114.4	169.3	-172.5	69.1	-169.8	0	0	109.3	I158 L255 S256 H290 G317 H377 S479	I158-E292 HydrophobicContact CD1-CB 3.84Å; I158-E292 HydrophobicContact CD1-CG 4.18Å; L255-E292 PolarHBondContact O-N 3.35Å; S256-E292 PolarHBondContact OG-O 3.49Å; H290-E292 IonicContact NE2-OE2 2.77Å; H290-E292 PolarHBondContact NE2-OE2 3.36Å; E292-G317 VanDerWaalsContact OE2-CA 3.29Å; E292-G317 WeakPolarHBondContact OE2-CA 3.39Å; E292-H377 IonicContact OE1-CE1 2.9Å; E292-H377 IonicContact OE1-NE2 3.33Å; E292-H377 PolarHBondContact OE1-NE2 2.57Å; E292-S479 VanDerWaalsContact CD-OG 3.3Å; E292-S479 PolarHBondContact OE1-OG 2.68Å; E292-S479 WeakPolarHBondContact OE2-CB 3.46Å; E292-S479 PolarHBondContact OE2-OG 2.85Å
293	L	95.1	Very high	91.9	Very high	5 Å²	5	43.3 Å²	43.3	3%	0.026	25%	0.251	C	S	.	.			trans	-88.6	144.1	173.2	-63.1	176.2	0	0	0	110.2	L291 L305 G317 L318 E322 L326	L291-L293 HydrophobicContact CD2-CD2 3.75Å; L291-L293 HydrophobicContact CD2-CG 4.38Å; L291-L293 HydrophobicContact CG-CD2 3.97Å; L291-L293 HydrophobicContact CG-CG 4.36Å; L293-L305 HydrophobicContact CD1-CD2 4.48Å; L293-L305 HydrophobicContact CD2-CD1 3.82Å; L293-L305 HydrophobicContact CD2-CD2 3.78Å; L293-L305 HydrophobicContact CD2-CG 4.49Å; L293-G317 PolarHBondContact N-O 2.96Å; L293-L318 HydrophobicContact CB-CB 4.17Å; L293-L318 HydrophobicContact CD1-CD2 4.07Å; L293-E322 HydrophobicContact CB-CG 4.46Å; L293-L326 HydrophobicContact CD1-CD1 4.29Å
294	A	88.9	Confident	92	Very high	12 Å²	12	45.5 Å²	45.5	10%	0.099	26%	0.259	C	S	.	.			trans	-153.6	151	177.6	0	0	0	0	0	110.5	H259 M296	H259-A294 WeakPolarHBondContact CB-O 3.31Å; H259-A294 PolarHBondContact ND1-O 3.34Å; A294-M296 WeakPolarHBondContact O-CG 3.38Å; A294-M296 PolarHBondContact O-N 2.88Å; A294-M296 VanDerWaalsContact O-N 3.12Å
295	S	81.1	Confident	92.2	Very high	90 Å²	90	41.8 Å²	41.8	63%	0.629	24%	0.235	S	C	*	.			trans	47.2	47.7	159.7	-59.1	0	0	0	0	115.7	E322	S295-E322 PolarHBondContact N-OE1 3.26Å
296	M	81.6	Confident	92.7	Very high	15 Å²	15	32.1 Å²	32.1	7%	0.074	19%	0.193	C	C	.	.			trans	-92.1	137.8	-178.5	-58	-77.4	-62.4	0	0	111.4	H259 E262 A294 F301 M302 L305 E322 F325	H259-M296 VanDerWaalsContact CA-SD 3.58Å; H259-M296 HydrophobicContact CB-CG 4.29Å; H259-M296 HydrophobicContact CB-SD 3.37Å; H259-M296 WeakPolarHBondContact CB-SD 3.32Å; E262-M296 VanDerWaalsContact OE1-CA 3.24Å; E262-M296 WeakPolarHBondContact OE1-CA 3.39Å; E262-M296 WeakPolarHBondContact OE1-CE 3.38Å; A294-M296 WeakPolarHBondContact O-CG 3.38Å; A294-M296 PolarHBondContact O-N 2.88Å; A294-M296 VanDerWaalsContact O-N 3.12Å; M296-F301 HydrophobicContact CE-CD1 3.23Å; M296-F301 HydrophobicContact CE-CE1 3.54Å; M296-F301 HydrophobicContact CE-CG 4.42Å; M296-F301 HydrophobicContact SD-CD1 4.38Å; M296-F301 HydrophobicContact SD-CE1 4.27Å; M296-M302 HydrophobicContact CB-CE 3.64Å; M296-M302 HydrophobicContact CE-CB 4.24Å; M296-M302 HydrophobicContact CE-CE 3.89Å; M296-M302 HydrophobicContact CE-SD 4.13Å; M296-M302 HydrophobicContact CG-CE 3.57Å; M296-L305 HydrophobicContact CE-CD1 4.3Å; M296-E322 HydrophobicContact CG-CG 4.31Å; M296-F325 HydrophobicContact CB-CD1 3.88Å; M296-F325 HydrophobicContact CB-CE1 4.09Å
297	T	84.1	Confident	93.1	Very high	114 Å²	114	35.2 Å²	35.2	70%	0.699	19%	0.189	S	C	*	.			trans	-136.5	-18.6	-178	64.1	0	0	0	0	115.1	E262 F325	E262-T297 PolarHBondContact OE1-N 3.3Å; E262-T297 WeakPolarHBondContact OE2-CA 3.32Å; E262-T297 PolarHBondContact OE2-N 2.98Å; E262-T297 PolarHBondContact OE2-OG1 2.75Å; T297-F325 WeakPolarHBondContact O-CZ 3.36Å
298	D	89.2	Confident	93.1	Very high	43 Å²	43	36.1 Å²	36.1	23%	0.23	19%	0.193	C	C	.	.			trans	-90.4	116	176.2	-175.7	-23	0	0	0	110.7	E262 D300 F301 M302	E262-D298 HydrophobicContact CG-CB 4.04Å; E262-D298 WeakPolarHBondContact OE2-CB 3.46Å; E262-D298 PolarHBondContact OE2-N 3.16Å; D298-D300 PolarHBondContact O-N 3.16Å; D298-D300 WeakPolarHBondContact OD1-CA 3.1Å; D298-D300 WeakPolarHBondContact OD1-CB 3.29Å; D298-D300 PolarHBondContact OD1-N 3.45Å; D298-F301 HydrophobicContact CB-CB 3.82Å; D298-F301 PolarHBondContact O-N 3.1Å; D298-F301 PolarHBondContact OD1-N 3.07Å; D298-F301 VanDerWaalsContact OD1-N 3.16Å; D298-M302 WeakPolarHBondContact O-CB 3.16Å; D298-M302 PolarHBondContact O-N 3.08Å
299	K	92	Very high	93.1	Very high	107 Å²	107	35.9 Å²	35.9	47%	0.465	19%	0.191	S	C	.	.	H	α-helix	trans	-66.4	-36.4	-179.4	-73	-169.5	174.4	-162.1	0	112.6	S303 F325	K299-S303 VanDerWaalsContact O-CB 3.3Å; K299-S303 WeakPolarHBondContact O-CB 3.21Å; K299-S303 PolarHBondContact O-N 3.17Å; K299-S303 PolarHBondContact O-OG 2.81Å; K299-F325 HydrophobicContact CB-CZ 4.28Å; K299-F325 HydrophobicContact CG-CE2 3.61Å; K299-F325 HydrophobicContact CG-CZ 3.58Å
300	D	92.8	Very high	93	Very high	82 Å²	82	35.3 Å²	35.3	44%	0.439	19%	0.188	S	C	.	.	H	α-helix	trans	-69	-41.3	179.2	-71.1	-27.8	0	0	0	109.9	K266 W269 D298 S303 R304	K266-D300 IonicContact NZ-OD2 3.89Å; K266-D300 PolarHBondContact NZ-OD2 3.14Å; W269-D300 HydrophobicContact CZ2-CB 4.35Å; D298-D300 PolarHBondContact O-N 3.16Å; D298-D300 WeakPolarHBondContact OD1-CA 3.1Å; D298-D300 WeakPolarHBondContact OD1-CB 3.29Å; D298-D300 PolarHBondContact OD1-N 3.45Å; D300-S303 PolarHBondContact O-N 2.96Å; D300-R304 WeakPolarHBondContact O-CB 3.15Å; D300-R304 PolarHBondContact O-N 2.68Å
301	F	92.8	Very high	92.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.3	-50.4	174.5	-171.6	-80.8	0	0	0	111.2	F258 M261 E262 W269 M296 D298 S303 R304 L305	F258-F301 HydrophobicContact CB-CE1 4.3Å; F258-F301 HydrophobicContact CB-CZ 4.22Å; F258-F301 HydrophobicContact CD1-CZ 4.49Å; F258-F301 WeakPolarHBondContact O-CZ 3.38Å; M261-F301 HydrophobicContact CB-CE2 3.77Å; M261-F301 HydrophobicContact CB-CZ 4.08Å; M261-F301 HydrophobicContact CG-CE2 4.5Å; M261-F301 HydrophobicContact SD-CE2 4.2Å; M261-F301 HydrophobicContact SD-CZ 4.31Å; E262-F301 HydrophobicContact CG-CB 4.22Å; E262-F301 HydrophobicContact CG-CD1 4.18Å; E262-F301 HydrophobicContact CG-CD2 4.31Å; E262-F301 HydrophobicContact CG-CG 3.97Å; W269-F301 HydrophobicContact CB-CD2 4.28Å; W269-F301 HydrophobicContact CB-CE2 4.14Å; W269-F301 AromaticContact CD2-CD2 3.34Å; W269-F301 HydrophobicContact CD2-CD2 3.34Å; W269-F301 AromaticContact CD2-CE2 3.93Å; W269-F301 HydrophobicContact CD2-CE2 3.93Å; W269-F301 HydrophobicContact CD2-CG 4.41Å; W269-F301 AromaticContact CE2-CD2 3.67Å; W269-F301 AromaticContact CE3-CD2 3.3Å; W269-F301 HydrophobicContact CE3-CD2 3.3Å; W269-F301 AromaticContact CE3-CE2 3.68Å; W269-F301 HydrophobicContact CE3-CE2 3.68Å; W269-F301 HydrophobicContact CE3-CG 4.33Å; W269-F301 AromaticContact CG-CD2 3.76Å; W269-F301 HydrophobicContact CG-CD2 3.76Å; W269-F301 HydrophobicContact CG-CE2 4.12Å; W269-F301 HydrophobicContact CH2-CB 4.09Å; W269-F301 HydrophobicContact CH2-CD2 4.14Å; W269-F301 HydrophobicContact CH2-CG 4.47Å; W269-F301 HydrophobicContact CZ2-CB 3.86Å; W269-F301 HydrophobicContact CZ2-CD2 4.09Å; W269-F301 HydrophobicContact CZ2-CG 4.44Å; W269-F301 HydrophobicContact CZ3-CB 4.47Å; W269-F301 AromaticContact CZ3-CD2 3.73Å; W269-F301 HydrophobicContact CZ3-CD2 3.73Å; W269-F301 HydrophobicContact CZ3-CE2 4.32Å; W269-F301 HydrophobicContact CZ3-CG 4.37Å; M296-F301 HydrophobicContact CE-CD1 3.23Å; M296-F301 HydrophobicContact CE-CE1 3.54Å; M296-F301 HydrophobicContact CE-CG 4.42Å; M296-F301 HydrophobicContact SD-CD1 4.38Å; M296-F301 HydrophobicContact SD-CE1 4.27Å; D298-F301 HydrophobicContact CB-CB 3.82Å; D298-F301 PolarHBondContact O-N 3.1Å; D298-F301 PolarHBondContact OD1-N 3.07Å; D298-F301 VanDerWaalsContact OD1-N 3.16Å; F301-S303 VanDerWaalsContact C-N 3.32Å; F301-S303 PolarHBondContact O-N 3.19Å; F301-R304 PolarHBondContact O-N 3.1Å; F301-R304 VanDerWaalsContact O-N 3.07Å; F301-L305 HydrophobicContact CE1-CD1 3.94Å; F301-L305 PolarHBondContact O-N 3.44Å
302	M	94.3	Very high	92.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-58	-45.1	178	-180	57.9	89.7	0	0	111.7	M296 D298 R304 L305 M306 F325 L326 A329	M296-M302 HydrophobicContact CB-CE 3.64Å; M296-M302 HydrophobicContact CE-CB 4.24Å; M296-M302 HydrophobicContact CE-CE 3.89Å; M296-M302 HydrophobicContact CE-SD 4.13Å; M296-M302 HydrophobicContact CG-CE 3.57Å; D298-M302 WeakPolarHBondContact O-CB 3.16Å; D298-M302 PolarHBondContact O-N 3.08Å; M302-R304 PolarHBondContact O-N 3.26Å; M302-L305 PolarHBondContact O-N 2.86Å; M302-M306 HydrophobicContact CG-SD 4.4Å; M302-M306 VanDerWaalsContact O-CG 3.28Å; M302-M306 WeakPolarHBondContact O-CG 3.33Å; M302-M306 PolarHBondContact O-N 2.76Å; M302-M306 HydrophobicContact SD-CG 4.43Å; M302-F325 HydrophobicContact CB-CD1 4.02Å; M302-F325 HydrophobicContact CB-CE1 3.73Å; M302-F325 HydrophobicContact CE-CD1 3.78Å; M302-F325 HydrophobicContact CG-CD1 4.02Å; M302-F325 HydrophobicContact CG-CE1 4.24Å; M302-L326 HydrophobicContact CE-CD2 4.14Å; M302-L326 HydrophobicContact CE-CG 3.98Å; M302-L326 HydrophobicContact CG-CD2 4.06Å; M302-L326 HydrophobicContact SD-CD2 3.31Å; M302-L326 WeakPolarHBondContact SD-CD2 3.46Å; M302-L326 HydrophobicContact SD-CG 3.82Å; M302-A329 HydrophobicContact CB-CB 3.99Å; M302-A329 HydrophobicContact CG-CB 3.77Å
303	S	94.9	Very high	92.6	Very high	26 Å²	26	39 Å²	39	18%	0.182	21%	0.209	C	C	.	.	H	α-helix	trans	-58.5	-37.9	177.2	-60.7	0	0	0	0	112.1	K299 D300 F301 Q307 A329	K299-S303 VanDerWaalsContact O-CB 3.3Å; K299-S303 WeakPolarHBondContact O-CB 3.21Å; K299-S303 PolarHBondContact O-N 3.17Å; K299-S303 PolarHBondContact O-OG 2.81Å; D300-S303 PolarHBondContact O-N 2.96Å; F301-S303 VanDerWaalsContact C-N 3.32Å; F301-S303 PolarHBondContact O-N 3.19Å; S303-Q307 VanDerWaalsContact O-CG 3.29Å; S303-Q307 WeakPolarHBondContact O-CG 3.37Å; S303-Q307 PolarHBondContact O-N 2.99Å; S303-A329 PolarHBondContact OG-O 3.25Å
304	R	94.9	Very high	92.7	Very high	56 Å²	56	39.6 Å²	39.6	21%	0.211	21%	0.214	C	C	.	.	H	α-helix	trans	-75.3	-39.2	180	-153.3	148.3	-177.5	-112.4	-33.3	112.3	W269 G270 L273 D300 F301 M302 M306 Q307 E308	W269-R304 HydrophobicContact CH2-CB 4.23Å; W269-R304 HydrophobicContact CZ3-CB 4.16Å; W269-R304 HydrophobicContact CZ3-CG 4.39Å; G270-R304 PolarHBondContact O-NH1 3.47Å; L273-R304 HydrophobicContact CD2-CB 3.92Å; L273-R304 HydrophobicContact CD2-CG 3.7Å; D300-R304 WeakPolarHBondContact O-CB 3.15Å; D300-R304 PolarHBondContact O-N 2.68Å; F301-R304 PolarHBondContact O-N 3.1Å; F301-R304 VanDerWaalsContact O-N 3.07Å; M302-R304 PolarHBondContact O-N 3.26Å; R304-M306 VanDerWaalsContact C-N 3.3Å; R304-M306 PolarHBondContact O-N 3.39Å; R304-Q307 PolarHBondContact O-N 2.78Å; R304-Q307 VanDerWaalsContact O-N 3.14Å; R304-E308 HydrophobicContact CG-CG 4.26Å; R304-E308 WeakPolarHBondContact CG-OE1 3.18Å; R304-E308 IonicContact CZ-OE1 3.16Å; R304-E308 IonicContact CZ-OE2 3.87Å; R304-E308 IonicContact NE-OE1 2.7Å; R304-E308 PolarHBondContact NE-OE1 2.94Å; R304-E308 IonicContact NH2-OE1 2.79Å; R304-E308 PolarHBondContact NH2-OE1 3.46Å; R304-E308 IonicContact NH2-OE2 3.12Å; R304-E308 PolarHBondContact NH2-OE2 3.42Å; R304-E308 VanDerWaalsContact NH2-OE2 3.12Å; R304-E308 WeakPolarHBondContact O-CB 3.32Å; R304-E308 PolarHBondContact O-N 3.09Å
305	L	95.1	Very high	93.2	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-58.8	-42.6	171.3	-169.4	150.6	0	0	0	111.1	F258 L291 L293 M296 F301 M302 Q307 V309 L310	F258-L305 HydrophobicContact CB-CD1 3.89Å; F258-L305 HydrophobicContact CD1-CD1 4.5Å; F258-L305 HydrophobicContact CG-CD1 4.22Å; L291-L305 HydrophobicContact CD2-CD2 4.06Å; L293-L305 HydrophobicContact CD1-CD2 4.48Å; L293-L305 HydrophobicContact CD2-CD1 3.82Å; L293-L305 HydrophobicContact CD2-CD2 3.78Å; L293-L305 HydrophobicContact CD2-CG 4.49Å; M296-L305 HydrophobicContact CE-CD1 4.3Å; F301-L305 HydrophobicContact CE1-CD1 3.94Å; F301-L305 PolarHBondContact O-N 3.44Å; M302-L305 PolarHBondContact O-N 2.86Å; L305-Q307 VanDerWaalsContact C-N 3.28Å; L305-Q307 PolarHBondContact O-N 3.11Å; L305-V309 HydrophobicContact CD2-CB 4.4Å; L305-V309 HydrophobicContact CG-CB 4.06Å; L305-V309 HydrophobicContact CG-CG2 4.13Å; L305-V309 WeakPolarHBondContact O-CA 3.16Å; L305-V309 WeakPolarHBondContact O-CB 3.37Å; L305-V309 PolarHBondContact O-N 3.05Å; L305-L310 HydrophobicContact CD2-CD2 3.99Å; L305-L310 HydrophobicContact CD2-CG 4.17Å; L305-L310 PolarHBondContact O-N 2.88Å
306	M	95.9	Very high	94	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.02	18%	0.179	C	C	.	.	H	α-helix	trans	-59.4	-36.8	174.9	-70.9	176.8	74.3	0	0	113.5	M302 R304 L310 L326 W355 H360	M302-M306 HydrophobicContact CG-SD 4.4Å; M302-M306 VanDerWaalsContact O-CG 3.28Å; M302-M306 WeakPolarHBondContact O-CG 3.33Å; M302-M306 PolarHBondContact O-N 2.76Å; M302-M306 HydrophobicContact SD-CG 4.43Å; R304-M306 VanDerWaalsContact C-N 3.3Å; R304-M306 PolarHBondContact O-N 3.39Å; M306-L310 HydrophobicContact CB-CD1 4.09Å; M306-L310 HydrophobicContact CG-CD1 3.87Å; M306-L326 HydrophobicContact CE-CD2 4.15Å; M306-L326 HydrophobicContact CG-CD2 3.33Å; M306-L326 HydrophobicContact SD-CD2 3.52Å; M306-L326 VanDerWaalsContact SD-CD2 3.52Å; M306-W355 HydrophobicContact CE-CH2 3.35Å; M306-W355 HydrophobicContact CE-CZ2 4.21Å; M306-W355 HydrophobicContact CE-CZ3 3.83Å; M306-H360 VanDerWaalsContact CE-NE2 3.32Å; M306-H360 WeakPolarHBondContact CE-NE2 3.48Å; M306-H360 PolarHBondContact O-CE1 3.16Å; M306-H360 PolarHBondContact O-ND1 3.27Å
307	Q	94.8	Very high	94.9	Very high	131 Å²	131	34 Å²	34	61%	0.612	18%	0.176	S	C	*	.	H	α-helix	trans	-85.4	-38	-176.1	-70.3	171.1	12.7	0	0	113	S303 R304 L305	S303-Q307 VanDerWaalsContact O-CG 3.29Å; S303-Q307 WeakPolarHBondContact O-CG 3.37Å; S303-Q307 PolarHBondContact O-N 2.99Å; R304-Q307 PolarHBondContact O-N 2.78Å; R304-Q307 VanDerWaalsContact O-N 3.14Å; L305-Q307 VanDerWaalsContact C-N 3.28Å; L305-Q307 PolarHBondContact O-N 3.11Å
308	E	95.5	Very high	95.5	Very high	52 Å²	52	28.6 Å²	28.6	24%	0.243	14%	0.142	C	C	.	.	H	α-helix	trans	-105.2	-27.2	-168.5	-59.8	-177.7	-156.9	0	0	113.2	V277 R304	V277-E308 HydrophobicContact CG2-CB 3.95Å; R304-E308 HydrophobicContact CG-CG 4.26Å; R304-E308 WeakPolarHBondContact CG-OE1 3.18Å; R304-E308 IonicContact CZ-OE1 3.16Å; R304-E308 IonicContact CZ-OE2 3.87Å; R304-E308 IonicContact NE-OE1 2.7Å; R304-E308 PolarHBondContact NE-OE1 2.94Å; R304-E308 IonicContact NH2-OE1 2.79Å; R304-E308 PolarHBondContact NH2-OE1 3.46Å; R304-E308 IonicContact NH2-OE2 3.12Å; R304-E308 PolarHBondContact NH2-OE2 3.42Å; R304-E308 VanDerWaalsContact NH2-OE2 3.12Å; R304-E308 WeakPolarHBondContact O-CB 3.32Å; R304-E308 PolarHBondContact O-N 3.09Å
309	V	96.4	Very high	95.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-46.2	-174.5	-172.6	0	0	0	0	112.4	F258 L273 V277 L291 L305 P311 I312 V313	F258-V309 HydrophobicContact CE1-CG2 4.23Å; F258-V309 HydrophobicContact CZ-CG1 4.42Å; L273-V309 HydrophobicContact CD1-CG2 3.75Å; V277-V309 HydrophobicContact CG2-CG2 3.85Å; L291-V309 HydrophobicContact CD2-CG1 3.74Å; L305-V309 HydrophobicContact CD2-CB 4.4Å; L305-V309 HydrophobicContact CG-CB 4.06Å; L305-V309 HydrophobicContact CG-CG2 4.13Å; L305-V309 WeakPolarHBondContact O-CA 3.16Å; L305-V309 WeakPolarHBondContact O-CB 3.37Å; L305-V309 PolarHBondContact O-N 3.05Å; V309-P311 VanDerWaalsContact C-CD 3.44Å; V309-P311 VanDerWaalsContact C-N 3.29Å; V309-I312 WeakPolarHBondContact O-CG1 3.44Å; V309-I312 PolarHBondContact O-N 3.44Å; V309-V313 HydrophobicContact CG1-CG1 4.16Å; V309-V313 PolarHBondContact O-N 3.24Å
310	L	96.6	Very high	96.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-54.1	-39.4	-178.7	-66.2	-171.9	0	0	0	113.6	L305 M306 I312 I316 L326 V356 H360 L371	L305-L310 HydrophobicContact CD2-CD2 3.99Å; L305-L310 HydrophobicContact CD2-CG 4.17Å; L305-L310 PolarHBondContact O-N 2.88Å; M306-L310 HydrophobicContact CB-CD1 4.09Å; M306-L310 HydrophobicContact CG-CD1 3.87Å; L310-I312 PolarHBondContact O-N 3.38Å; L310-I316 HydrophobicContact CD2-CD1 4.07Å; L310-I316 HydrophobicContact CD2-CG2 3.55Å; L310-L326 HydrophobicContact CD1-CD2 4.43Å; L310-V356 HydrophobicContact CD1-CG1 4.3Å; L310-H360 HydrophobicContact CB-CB 4.16Å; L310-H360 HydrophobicContact CD1-CB 4.32Å; L310-L371 HydrophobicContact CB-CD2 4.26Å; L310-L371 WeakPolarHBondContact O-CB 3.42Å
311	P	95.3	Very high	96.1	Very high	33 Å²	33	27.6 Å²	27.6	21%	0.214	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-67.6	-20.2	179.2	-23.8	36.9	0	0	0	114.9	V309 S369 D370	V309-P311 VanDerWaalsContact C-CD 3.44Å; V309-P311 VanDerWaalsContact C-N 3.29Å; P311-S369 WeakPolarHBondContact CA-OG 3.44Å; P311-S369 CarbonylContact O-C 3.53Å; P311-S369 VanDerWaalsContact O-CA 3.26Å; P311-S369 WeakPolarHBondContact O-CA 3.28Å; P311-D370 PolarHBondContact O-N 3.29Å
312	I	95.7	Very high	96.3	Very high	48 Å²	48	27.9 Å²	27.9	25%	0.246	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-105.1	6	-174.5	64.2	168.8	0	0	0	113.3	V277 I280 V309 L310	V277-I312 HydrophobicContact CG1-CD1 4.06Å; I280-I312 HydrophobicContact CB-CD1 3.98Å; I280-I312 HydrophobicContact CG2-CD1 3.66Å; I280-I312 HydrophobicContact CG2-CG1 4.2Å; V309-I312 WeakPolarHBondContact O-CG1 3.44Å; V309-I312 PolarHBondContact O-N 3.44Å; L310-I312 PolarHBondContact O-N 3.38Å
313	V	97.4	Very high	96.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.138	C	C	.	.			trans	-114.3	144.6	175	-59.2	0	0	0	0	110	I289 L291 V309 I316 D370 L371	I289-V313 HydrophobicContact CB-CB 4.36Å; I289-V313 HydrophobicContact CB-CG1 4.36Å; I289-V313 HydrophobicContact CG2-CB 4.22Å; I289-V313 HydrophobicContact CG2-CG1 3.79Å; L291-V313 HydrophobicContact CB-CG1 4.28Å; L291-V313 HydrophobicContact CB-CG2 4.28Å; V309-V313 HydrophobicContact CG1-CG1 4.16Å; V309-V313 PolarHBondContact O-N 3.24Å; V313-I316 HydrophobicContact CG2-CG2 3.83Å; V313-D370 CarbonylContact O-C 3.35Å; V313-L371 WeakPolarHBondContact O-CA 3.17Å; V313-L371 WeakPolarHBondContact O-CB 3.22Å; V313-L371 PolarHBondContact O-N 2.9Å
314	S	98	Very high	96.6	Very high	18 Å²	18	27 Å²	27	13%	0.126	13%	0.131	C	C	.	.	S	Bend	trans	-81.3	-26.5	-177.7	-44.8	0	0	0	0	113	P288 I289 D370 T372 R373	P288-S314 WeakPolarHBondContact CA-OG 3.33Å; I289-S314 PolarHBondContact N-OG 2.95Å; I289-S314 WeakPolarHBondContact O-CA 3.46Å; I289-S314 PolarHBondContact O-N 3.4Å; S314-D370 WeakPolarHBondContact CA-O 3.41Å; S314-T372 PolarHBondContact O-N 2.92Å; S314-T372 PolarHBondContact O-OG1 3.45Å; S314-R373 PolarHBondContact O-N 3.42Å
315	S	98.8	Very high	96.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	151.3	-178.4	-174.3	0	0	0	0	112.2	I289 H290 L291 R373	I289-S315 PolarHBondContact O-N 2.83Å; H290-S315 CarbonylContact C-O 3.57Å; H290-S315 VanDerWaalsContact CA-O 3.27Å; H290-S315 WeakPolarHBondContact CA-O 3.49Å; H290-S315 WeakPolarHBondContact ND1-CB 3.37Å; H290-S315 PolarHBondContact ND1-OG 2.94Å; L291-S315 PolarHBondContact N-O 2.95Å; S315-R373 CarbonylContact C-O 3.53Å; S315-R373 WeakPolarHBondContact CA-O 3.45Å; S315-R373 WeakPolarHBondContact OG-CD 3.49Å; S315-R373 VanDerWaalsContact OG-CG 3.31Å; S315-R373 WeakPolarHBondContact OG-CG 3.27Å; S315-R373 PolarHBondContact OG-NH1 2.93Å; S315-R373 PolarHBondContact OG-O 2.83Å
316	I	98.8	Very high	96.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	153.3	166	68.8	-174.8	0	0	0	112	L291 L310 V313 L318 V356 L371 R373 I374 H375	L291-I316 HydrophobicContact CB-CG2 4.15Å; L291-I316 CarbonylContact O-C 3.47Å; L291-I316 WeakPolarHBondContact O-CA 3.37Å; L310-I316 HydrophobicContact CD2-CD1 4.07Å; L310-I316 HydrophobicContact CD2-CG2 3.55Å; V313-I316 HydrophobicContact CG2-CG2 3.83Å; I316-L318 HydrophobicContact CD1-CD2 3.59Å; I316-L318 HydrophobicContact CG1-CD2 3.94Å; I316-V356 HydrophobicContact CD1-CG1 4.31Å; I316-L371 HydrophobicContact CG1-CD1 4.38Å; I316-L371 HydrophobicContact CG2-CD1 4Å; I316-R373 PolarHBondContact N-O 3.2Å; I316-I374 HydrophobicContact CD1-CD1 4.19Å; I316-I374 HydrophobicContact CD1-CG1 4.04Å; I316-I374 HydrophobicContact CD1-CG2 4.23Å; I316-I374 HydrophobicContact CG1-CB 4.18Å; I316-I374 HydrophobicContact CG1-CG1 3.87Å; I316-I374 HydrophobicContact CG1-CG2 3.83Å; I316-I374 CarbonylContact O-C 3.53Å; I316-I374 WeakPolarHBondContact O-CA 3.38Å; I316-H375 PolarHBondContact O-N 3.37Å
317	G	98.8	Very high	96.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	140.3	170.1	0	0	0	0	0	110.3	H290 L291 E292 L293 H375	H290-G317 PolarHBondContact CE1-N 3.09Å; L291-G317 PolarHBondContact O-N 3.08Å; E292-G317 VanDerWaalsContact OE2-CA 3.29Å; E292-G317 WeakPolarHBondContact OE2-CA 3.39Å; L293-G317 PolarHBondContact N-O 2.96Å; G317-H375 WeakPolarHBondContact CA-O 3.46Å
318	L	98.3	Very high	97	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.6	158.1	-173	57.4	94.7	0	0	0	112.3	L293 I316 E322 L323 L326 I374 H375 F376 H377	L293-L318 HydrophobicContact CB-CB 4.17Å; L293-L318 HydrophobicContact CD1-CD2 4.07Å; I316-L318 HydrophobicContact CD1-CD2 3.59Å; I316-L318 HydrophobicContact CG1-CD2 3.94Å; L318-E322 HydrophobicContact CB-CB 4.08Å; L318-L323 HydrophobicContact CD1-CB 3.46Å; L318-L323 VanDerWaalsContact CD1-CB 3.46Å; L318-L323 HydrophobicContact CD1-CD1 3.83Å; L318-L323 HydrophobicContact CD1-CG 4.16Å; L318-L326 HydrophobicContact CD2-CD1 3.67Å; L318-I374 HydrophobicContact CD2-CG2 4.28Å; L318-H375 PolarHBondContact N-O 3.27Å; L318-F376 HydrophobicContact CD1-CD2 3.94Å; L318-F376 WeakPolarHBondContact O-CA 3.37Å; L318-H377 PolarHBondContact O-N 2.92Å; L318-H377 VanDerWaalsContact O-N 3.1Å
319	N	97.3	Very high	97	Very high	37 Å²	37	19 Å²	19	20%	0.198	10%	0.098	C	C	.	.			trans	-101.4	-175.3	176	77.6	52.1	0	0	0	113.5	Q321 E322 L323 H377	N319-Q321 VanDerWaalsContact C-N 3.3Å; N319-Q321 PolarHBondContact O-N 2.81Å; N319-Q321 WeakPolarHBondContact OD1-CA 3.46Å; N319-Q321 VanDerWaalsContact OD1-CB 3.26Å; N319-Q321 WeakPolarHBondContact OD1-CB 3.47Å; N319-Q321 PolarHBondContact OD1-N 3.2Å; N319-E322 PolarHBondContact N-OE2 3.28Å; N319-E322 VanDerWaalsContact N-OE2 3.08Å; N319-E322 PolarHBondContact ND2-OE1 2.83Å; N319-E322 PolarHBondContact ND2-OE2 2.79Å; N319-E322 PolarHBondContact O-N 2.94Å; N319-E322 PolarHBondContact OD1-OE2 3.4Å; N319-L323 WeakPolarHBondContact O-CB 3.29Å; N319-L323 PolarHBondContact O-N 3.34Å; N319-H377 WeakPolarHBondContact CA-O 3.5Å; N319-H377 VanDerWaalsContact CB-O 3.26Å; N319-H377 WeakPolarHBondContact CB-O 3.15Å
320	E	96.4	Very high	97	Very high	43 Å²	43	20.4 Å²	20.4	20%	0.201	11%	0.113	C	C	.	.	H	α-helix	trans	-61.5	-31.3	-178.9	72.9	-81	-177	0	0	115.1	L324 W340 P344 F376 T378	E320-L324 WeakPolarHBondContact O-CB 3.35Å; E320-L324 PolarHBondContact O-N 3.49Å; E320-L324 VanDerWaalsContact O-N 3.09Å; E320-W340 PolarHBondContact O-NE1 3.16Å; E320-P344 HydrophobicContact CB-CB 4.45Å; E320-P344 HydrophobicContact CB-CG 3.56Å; E320-P344 HydrophobicContact CG-CG 3.89Å; E320-F376 HydrophobicContact CB-CE2 4.18Å; E320-F376 HydrophobicContact CB-CZ 4.05Å; E320-T378 WeakPolarHBondContact OE2-CA 3.39Å; E320-T378 WeakPolarHBondContact OE2-CB 3.33Å; E320-T378 PolarHBondContact OE2-OG1 3.28Å
321	Q	91.8	Very high	97	Very high	131 Å²	131	27.4 Å²	27.4	61%	0.612	15%	0.15	S	C	*	.	H	α-helix	trans	-69.3	-52.9	177.8	-62.4	178.6	66.2	0	0	109.9	N319 L323 L324 F325	N319-Q321 VanDerWaalsContact C-N 3.3Å; N319-Q321 PolarHBondContact O-N 2.81Å; N319-Q321 WeakPolarHBondContact OD1-CA 3.46Å; N319-Q321 VanDerWaalsContact OD1-CB 3.26Å; N319-Q321 WeakPolarHBondContact OD1-CB 3.47Å; N319-Q321 PolarHBondContact OD1-N 3.2Å; Q321-L323 VanDerWaalsContact C-N 3.33Å; Q321-L323 PolarHBondContact O-N 2.9Å; Q321-L324 PolarHBondContact O-N 3.14Å; Q321-F325 VanDerWaalsContact O-CB 3.3Å; Q321-F325 WeakPolarHBondContact O-CB 3.43Å; Q321-F325 PolarHBondContact O-N 3.38Å
322	E	96.2	Very high	97.1	Very high	6 Å²	6	26.4 Å²	26.4	3%	0.028	15%	0.146	C	C	.	.	H	α-helix	trans	-66.2	-34.9	178.1	-63.6	80.1	-145.2	0	0	111.8	L293 S295 M296 L318 N319 F325 L326	L293-E322 HydrophobicContact CB-CG 4.46Å; S295-E322 PolarHBondContact N-OE1 3.26Å; M296-E322 HydrophobicContact CG-CG 4.31Å; L318-E322 HydrophobicContact CB-CB 4.08Å; N319-E322 PolarHBondContact N-OE2 3.28Å; N319-E322 VanDerWaalsContact N-OE2 3.08Å; N319-E322 PolarHBondContact ND2-OE1 2.83Å; N319-E322 PolarHBondContact ND2-OE2 2.79Å; N319-E322 PolarHBondContact O-N 2.94Å; N319-E322 PolarHBondContact OD1-OE2 3.4Å; E322-F325 PolarHBondContact O-N 3.2Å; E322-L326 WeakPolarHBondContact O-CB 3.41Å; E322-L326 WeakPolarHBondContact O-CG 3.44Å; E322-L326 PolarHBondContact O-N 3.21Å
323	L	98.3	Very high	97.2	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-62.4	-46.8	176.6	-172.8	64.4	0	0	0	112	L318 N319 Q321 F325 L326 S327 V349 I352 L353 F376	L318-L323 HydrophobicContact CD1-CB 3.46Å; L318-L323 VanDerWaalsContact CD1-CB 3.46Å; L318-L323 HydrophobicContact CD1-CD1 3.83Å; L318-L323 HydrophobicContact CD1-CG 4.16Å; N319-L323 WeakPolarHBondContact O-CB 3.29Å; N319-L323 PolarHBondContact O-N 3.34Å; Q321-L323 VanDerWaalsContact C-N 3.33Å; Q321-L323 PolarHBondContact O-N 2.9Å; L323-F325 VanDerWaalsContact C-N 3.3Å; L323-L326 WeakPolarHBondContact O-CB 3.3Å; L323-L326 PolarHBondContact O-N 2.94Å; L323-S327 PolarHBondContact O-N 2.9Å; L323-V349 HydrophobicContact CD2-CB 4.14Å; L323-V349 HydrophobicContact CD2-CG1 3.66Å; L323-V349 HydrophobicContact CD2-CG2 4.08Å; L323-I352 HydrophobicContact CD1-CB 4.03Å; L323-I352 HydrophobicContact CD1-CG2 3.46Å; L323-I352 VanDerWaalsContact CD1-CG2 3.46Å; L323-I352 HydrophobicContact CD2-CB 4.34Å; L323-I352 HydrophobicContact CD2-CD1 4.5Å; L323-I352 HydrophobicContact CG-CB 4.11Å; L323-I352 HydrophobicContact CG-CD1 4.28Å; L323-I352 HydrophobicContact CG-CG2 3.79Å; L323-L353 HydrophobicContact CD1-CD2 3.73Å; L323-L353 HydrophobicContact CD1-CG 4.31Å; L323-L353 HydrophobicContact CD2-CD2 4.31Å; L323-L353 HydrophobicContact CD2-CG 4.32Å; L323-F376 HydrophobicContact CB-CD2 4.27Å; L323-F376 HydrophobicContact CB-CE2 4.02Å; L323-F376 HydrophobicContact CD2-CD2 3.66Å; L323-F376 HydrophobicContact CD2-CE2 3.53Å; L323-F376 HydrophobicContact CD2-CZ 4.3Å; L323-F376 HydrophobicContact CG-CD2 4.47Å; L323-F376 HydrophobicContact CG-CE2 4.4Å
324	L	97.6	Very high	97.3	Very high	7 Å²	7	27.1 Å²	27.1	4%	0.037	15%	0.15	C	C	.	.	H	α-helix	trans	-66.9	-38.1	177.5	180	61.1	0	0	0	110.7	E320 Q321 S327 Q328 V337 W340	E320-L324 WeakPolarHBondContact O-CB 3.35Å; E320-L324 PolarHBondContact O-N 3.49Å; E320-L324 VanDerWaalsContact O-N 3.09Å; Q321-L324 PolarHBondContact O-N 3.14Å; L324-S327 WeakPolarHBondContact O-CB 3.37Å; L324-S327 PolarHBondContact O-N 2.99Å; L324-Q328 HydrophobicContact CD1-CG 4.44Å; L324-Q328 HydrophobicContact CG-CG 4.39Å; L324-Q328 VanDerWaalsContact O-CG 3.29Å; L324-Q328 WeakPolarHBondContact O-CG 3.44Å; L324-Q328 PolarHBondContact O-N 3.45Å; L324-V337 HydrophobicContact CD1-CB 4.08Å; L324-V337 HydrophobicContact CD1-CG1 4.35Å; L324-V337 HydrophobicContact CD2-CG1 4.22Å; L324-W340 HydrophobicContact CB-CZ2 4Å; L324-W340 HydrophobicContact CD1-CZ2 4.15Å; L324-W340 HydrophobicContact CD2-CD2 4.45Å; L324-W340 HydrophobicContact CD2-CG 4.41Å; L324-W340 HydrophobicContact CG-CZ2 4.49Å
325	F	96.8	Very high	97.2	Very high	24 Å²	24	27.7 Å²	27.7	11%	0.105	16%	0.156	C	C	.	.	H	α-helix	trans	-66	-38.7	178.3	-165	-120.6	0	0	0	112.5	M296 T297 K299 M302 Q321 E322 L323 S327 Q328 A329	M296-F325 HydrophobicContact CB-CD1 3.88Å; M296-F325 HydrophobicContact CB-CE1 4.09Å; T297-F325 WeakPolarHBondContact O-CZ 3.36Å; K299-F325 HydrophobicContact CB-CZ 4.28Å; K299-F325 HydrophobicContact CG-CE2 3.61Å; K299-F325 HydrophobicContact CG-CZ 3.58Å; M302-F325 HydrophobicContact CB-CD1 4.02Å; M302-F325 HydrophobicContact CB-CE1 3.73Å; M302-F325 HydrophobicContact CE-CD1 3.78Å; M302-F325 HydrophobicContact CG-CD1 4.02Å; M302-F325 HydrophobicContact CG-CE1 4.24Å; Q321-F325 VanDerWaalsContact O-CB 3.3Å; Q321-F325 WeakPolarHBondContact O-CB 3.43Å; Q321-F325 PolarHBondContact O-N 3.38Å; E322-F325 PolarHBondContact O-N 3.2Å; L323-F325 VanDerWaalsContact C-N 3.3Å; F325-S327 VanDerWaalsContact C-N 3.34Å; F325-S327 PolarHBondContact O-N 2.95Å; F325-Q328 PolarHBondContact O-N 3.17Å; F325-A329 VanDerWaalsContact O-CB 3.3Å; F325-A329 WeakPolarHBondContact O-CB 3.24Å; F325-A329 PolarHBondContact O-N 3.26Å
326	L	97	Very high	97.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-55	-48.6	169.6	-83	166	0	0	0	111.5	L293 M302 M306 L310 L318 E322 L323 A329 G330	L293-L326 HydrophobicContact CD1-CD1 4.29Å; M302-L326 HydrophobicContact CE-CD2 4.14Å; M302-L326 HydrophobicContact CE-CG 3.98Å; M302-L326 HydrophobicContact CG-CD2 4.06Å; M302-L326 HydrophobicContact SD-CD2 3.31Å; M302-L326 WeakPolarHBondContact SD-CD2 3.46Å; M302-L326 HydrophobicContact SD-CG 3.82Å; M306-L326 HydrophobicContact CE-CD2 4.15Å; M306-L326 HydrophobicContact CG-CD2 3.33Å; M306-L326 HydrophobicContact SD-CD2 3.52Å; M306-L326 VanDerWaalsContact SD-CD2 3.52Å; L310-L326 HydrophobicContact CD1-CD2 4.43Å; L318-L326 HydrophobicContact CD2-CD1 3.67Å; E322-L326 WeakPolarHBondContact O-CB 3.41Å; E322-L326 WeakPolarHBondContact O-CG 3.44Å; E322-L326 PolarHBondContact O-N 3.21Å; L323-L326 WeakPolarHBondContact O-CB 3.3Å; L323-L326 PolarHBondContact O-N 2.94Å; L326-A329 PolarHBondContact O-N 3.19Å; L326-G330 PolarHBondContact O-N 3.29Å
327	S	98	Very high	97	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61	-45.5	175.7	171.7	0	0	0	0	111.8	L323 L324 F325 A329 D331 G332 P333 A335	L323-S327 PolarHBondContact O-N 2.9Å; L324-S327 WeakPolarHBondContact O-CB 3.37Å; L324-S327 PolarHBondContact O-N 2.99Å; F325-S327 VanDerWaalsContact C-N 3.34Å; F325-S327 PolarHBondContact O-N 2.95Å; S327-A329 VanDerWaalsContact C-N 3.34Å; S327-A329 PolarHBondContact O-N 2.81Å; S327-D331 PolarHBondContact O-N 2.89Å; S327-D331 VanDerWaalsContact O-N 3.08Å; S327-G332 PolarHBondContact O-N 3.06Å; S327-G332 PolarHBondContact OG-O 3.02Å; S327-P333 PolarHBondContact OG-O 3Å; S327-A335 WeakPolarHBondContact O-CB 3.41Å; S327-A335 WeakPolarHBondContact OG-CA 3.33Å; S327-A335 PolarHBondContact OG-N 2.66Å
328	Q	97.3	Very high	96.7	Very high	36 Å²	36	38.9 Å²	38.9	17%	0.168	24%	0.237	C	C	.	.	H	α-helix	trans	-66.7	-31	179.7	-72.6	173.8	-3.3	0	0	114.2	L324 F325 A335 V337 P338	L324-Q328 HydrophobicContact CD1-CG 4.44Å; L324-Q328 HydrophobicContact CG-CG 4.39Å; L324-Q328 VanDerWaalsContact O-CG 3.29Å; L324-Q328 WeakPolarHBondContact O-CG 3.44Å; L324-Q328 PolarHBondContact O-N 3.45Å; F325-Q328 PolarHBondContact O-N 3.17Å; Q328-A335 WeakPolarHBondContact CG-O 3.41Å; Q328-V337 PolarHBondContact NE2-O 3.36Å; Q328-P338 PolarHBondContact NE2-O 2.94Å
329	A	96.6	Very high	96.4	Very high	15 Å²	15	43.2 Å²	43.2	12%	0.124	26%	0.263	C	S	.	.	H	α-helix	trans	-80.7	-39.3	178.9	0	0	0	0	0	111.5	M302 S303 F325 L326 S327	M302-A329 HydrophobicContact CB-CB 3.99Å; M302-A329 HydrophobicContact CG-CB 3.77Å; S303-A329 PolarHBondContact OG-O 3.25Å; F325-A329 VanDerWaalsContact O-CB 3.3Å; F325-A329 WeakPolarHBondContact O-CB 3.24Å; F325-A329 PolarHBondContact O-N 3.26Å; L326-A329 PolarHBondContact O-N 3.19Å; S327-A329 VanDerWaalsContact C-N 3.34Å; S327-A329 PolarHBondContact O-N 2.81Å
330	G	96.3	Very high	96.1	Very high	30 Å²	30	42.9 Å²	42.9	31%	0.309	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	13.4	-178.7	0	0	0	0	0	115.7	L326 G332 W355	L326-G330 PolarHBondContact O-N 3.29Å; G330-G332 PolarHBondContact O-N 3.47Å; G330-W355 WeakPolarHBondContact O-CZ2 3.36Å
331	D	96.6	Very high	95.9	Very high	147 Å²	147	50 Å²	50	79%	0.786	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	39.9	-174.2	-67.1	-48.3	0	0	0	113.2	S327	S327-D331 PolarHBondContact O-N 2.89Å; S327-D331 VanDerWaalsContact O-N 3.08Å
332	G	97.5	Very high	95.9	Very high	11 Å²	11	47.1 Å²	47.1	11%	0.113	30%	0.295	C	S	.	.			trans	-80.5	-175.8	-177.4	0	0	0	0	0	114.6	S327 G330 H334 A335	S327-G332 PolarHBondContact O-N 3.06Å; S327-G332 PolarHBondContact OG-O 3.02Å; G330-G332 PolarHBondContact O-N 3.47Å; G332-H334 PolarHBondContact O-N 3.04Å; G332-A335 VanDerWaalsContact O-CB 3.29Å; G332-A335 WeakPolarHBondContact O-CB 3.38Å; G332-A335 PolarHBondContact O-N 3.15Å
333	P	98.2	Very high	95.7	Very high	27 Å²	27	49.9 Å²	49.9	18%	0.175	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	135.1	176.4	-26	34.7	0	0	0	112.2	S327 A335 D351 I352 W355 F433	S327-P333 PolarHBondContact OG-O 3Å; P333-A335 PolarHBondContact O-N 2.95Å; P333-D351 HydrophobicContact CB-CB 4.07Å; P333-I352 HydrophobicContact CB-CG1 4.32Å; P333-I352 WeakPolarHBondContact O-CG1 3.35Å; P333-W355 HydrophobicContact CG-CB 3.65Å; P333-W355 HydrophobicContact CG-CG 3.9Å; P333-F433 HydrophobicContact CB-CE2 4.07Å
334	H	98	Very high	95.7	Very high	37 Å²	37	50.1 Å²	50.1	17%	0.171	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	64	16.6	178.3	-46.7	-68.3	0	0	0	115.6	G332 A336 V337 D351 F433	G332-H334 PolarHBondContact O-N 3.04Å; H334-A336 PolarHBondContact O-N 3.45Å; H334-V337 HydrophobicContact CB-CG2 4.2Å; H334-V337 WeakPolarHBondContact O-CB 3.47Å; H334-V337 WeakPolarHBondContact O-CG2 3.36Å; H334-V337 PolarHBondContact O-N 3Å; H334-D351 IonicContact CD2-OD2 3.73Å; H334-D351 IonicContact CE1-OD2 3.74Å; H334-D351 IonicContact NE2-OD2 2.79Å; H334-D351 PolarHBondContact NE2-OD2 2.8Å; H334-F433 AromaticContact NE2-CE2 3.85Å
335	A	97.3	Very high	95.7	Very high	29 Å²	29	52.9 Å²	52.9	24%	0.24	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-24.1	178.2	0	0	0	0	0	114.8	S327 Q328 G332 P333 V337	S327-A335 WeakPolarHBondContact O-CB 3.41Å; S327-A335 WeakPolarHBondContact OG-CA 3.33Å; S327-A335 PolarHBondContact OG-N 2.66Å; Q328-A335 WeakPolarHBondContact CG-O 3.41Å; G332-A335 VanDerWaalsContact O-CB 3.29Å; G332-A335 WeakPolarHBondContact O-CB 3.38Å; G332-A335 PolarHBondContact O-N 3.15Å; P333-A335 PolarHBondContact O-N 2.95Å; A335-V337 PolarHBondContact O-N 3.38Å
336	A	97	Very high	95.8	Very high	102 Å²	102	51.9 Å²	51.9	84%	0.843	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-10.6	176.4	0	0	0	0	0	113.8	H334 P338	H334-A336 PolarHBondContact O-N 3.45Å; A336-P338 WeakPolarHBondContact O-CD 3.4Å
337	V	95.4	Very high	95.8	Very high	25 Å²	25	51.9 Å²	51.9	15%	0.152	32%	0.324	C	S	.	.			trans	-74.1	118	175.5	175.4	0	0	0	0	108.4	L324 Q328 H334 A335 V339	L324-V337 HydrophobicContact CD1-CB 4.08Å; L324-V337 HydrophobicContact CD1-CG1 4.35Å; L324-V337 HydrophobicContact CD2-CG1 4.22Å; Q328-V337 PolarHBondContact NE2-O 3.36Å; H334-V337 HydrophobicContact CB-CG2 4.2Å; H334-V337 WeakPolarHBondContact O-CB 3.47Å; H334-V337 WeakPolarHBondContact O-CG2 3.36Å; H334-V337 PolarHBondContact O-N 3Å; A335-V337 PolarHBondContact O-N 3.38Å; V337-V339 WeakPolarHBondContact CG1-O 3.48Å
338	P	92.3	Very high	95.8	Very high	109 Å²	109	55.9 Å²	55.9	71%	0.708	34%	0.339	S	S	*	.			trans	-73.7	-37.7	-176.8	27.3	-33.7	0	0	0	112.5	Q328 A336	Q328-P338 PolarHBondContact NE2-O 2.94Å; A336-P338 WeakPolarHBondContact O-CD 3.4Å
339	V	92.8	Very high	95.9	Very high	91 Å²	91	54.1 Å²	54.1	55%	0.552	33%	0.331	S	S	*	.	S	Bend	trans	-157.1	151.1	179.3	66.4	0	0	0	0	109.2	V337	V337-V339 WeakPolarHBondContact CG1-O 3.48Å
340	W	91.7	Very high	96	Very high	30 Å²	30	53.5 Å²	53.5	11%	0.114	33%	0.326	C	S	.	.			trans	-64.9	138.1	169.8	-58.8	109.6	0	0	0	111.1	E320 L324 P344 R348 V349 I352	E320-W340 PolarHBondContact O-NE1 3.16Å; L324-W340 HydrophobicContact CB-CZ2 4Å; L324-W340 HydrophobicContact CD1-CZ2 4.15Å; L324-W340 HydrophobicContact CD2-CD2 4.45Å; L324-W340 HydrophobicContact CD2-CG 4.41Å; L324-W340 HydrophobicContact CG-CZ2 4.49Å; W340-P344 HydrophobicContact CB-CG 4.38Å; W340-P344 HydrophobicContact CD2-CB 3.93Å; W340-P344 HydrophobicContact CD2-CG 4.21Å; W340-P344 HydrophobicContact CE3-CB 3.97Å; W340-P344 HydrophobicContact CG-CB 4.31Å; W340-P344 HydrophobicContact CG-CG 4.06Å; W340-P344 HydrophobicContact CZ3-CB 4.37Å; W340-R348 HydrophobicContact CH2-CB 3.93Å; W340-R348 HydrophobicContact CZ3-CB 4Å; W340-V349 HydrophobicContact CH2-CG2 4.27Å; W340-V349 HydrophobicContact CZ2-CG2 4.41Å; W340-I352 HydrophobicContact CH2-CD1 4.24Å; W340-I352 HydrophobicContact CZ2-CD1 4.18Å
341	K	90.6	Very high	96.1	Very high	192 Å²	192	52.1 Å²	52.1	84%	0.835	31%	0.312	S	S	*	.			trans	-108.6	102.1	174.5	-67.5	-174.7	-179.4	-178.3	0	109
342	G	92	Very high	96.2	Very high	70 Å²	70	45.1 Å²	45.1	72%	0.722	27%	0.274	S	S	*	.	S	Bend	trans	77.6	-147.8	-173.8	0	0	0	0	0	111.8
343	V	93.6	Very high	96.2	Very high	65 Å²	65	44.6 Å²	44.6	39%	0.394	27%	0.269	S	S	.	.	S	Bend	trans	-64.8	128	177.1	177.4	0	0	0	0	109.4	D345 A380 Y381	V343-D345 PolarHBondContact O-N 3.45Å; V343-A380 HydrophobicContact CB-CB 4.41Å; V343-A380 HydrophobicContact CG1-CB 3.67Å; V343-A380 HydrophobicContact CG2-CB 3.81Å; V343-Y381 HydrophobicContact CG1-CD1 4.07Å; V343-Y381 HydrophobicContact CG1-CE1 3.8Å
344	P	97.1	Very high	96.2	Very high	6 Å²	6	43.3 Å²	43.3	4%	0.039	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-54	139.4	175.2	-26.1	34.3	0	0	0	111.7	E320 W340 V346 V349 T378 Y381	E320-P344 HydrophobicContact CB-CB 4.45Å; E320-P344 HydrophobicContact CB-CG 3.56Å; E320-P344 HydrophobicContact CG-CG 3.89Å; W340-P344 HydrophobicContact CB-CG 4.38Å; W340-P344 HydrophobicContact CD2-CB 3.93Å; W340-P344 HydrophobicContact CD2-CG 4.21Å; W340-P344 HydrophobicContact CE3-CB 3.97Å; W340-P344 HydrophobicContact CG-CB 4.31Å; W340-P344 HydrophobicContact CG-CG 4.06Å; W340-P344 HydrophobicContact CZ3-CB 4.37Å; P344-V346 PolarHBondContact O-N 2.87Å; P344-V349 HydrophobicContact CB-CG2 3.82Å; P344-T378 HydrophobicContact CG-CG2 4.39Å; P344-Y381 WeakPolarHBondContact O-CE1 3.3Å; P344-Y381 PolarHBondContact O-OH 2.94Å; P344-Y381 VanDerWaalsContact O-OH 3.11Å
345	D	97.8	Very high	96.2	Very high	65 Å²	65	43.6 Å²	43.6	35%	0.348	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-71.6	124.7	178.1	176.7	-85.9	0	0	0	109.8	V343 G347 R348 V349 H432	V343-D345 PolarHBondContact O-N 3.45Å; D345-G347 VanDerWaalsContact C-N 3.27Å; D345-G347 PolarHBondContact O-N 3.4Å; D345-G347 WeakPolarHBondContact OD1-CA 3.47Å; D345-G347 PolarHBondContact OD1-N 2.84Å; D345-R348 HydrophobicContact CB-CB 4.26Å; D345-R348 HydrophobicContact CB-CG 4.04Å; D345-R348 PolarHBondContact O-N 3.44Å; D345-R348 VanDerWaalsContact O-N 3.16Å; D345-R348 PolarHBondContact OD1-N 3.18Å; D345-V349 WeakPolarHBondContact O-CG2 3.37Å; D345-V349 PolarHBondContact O-N 3.27Å; D345-H432 IonicContact OD1-CD2 3.52Å; D345-H432 PolarHBondContact OD1-CD2 3.45Å; D345-H432 IonicContact OD1-CE1 3.53Å; D345-H432 IonicContact OD1-NE2 2.73Å; D345-H432 PolarHBondContact OD1-NE2 3.38Å; D345-H432 IonicContact OD2-NE2 2.63Å
346	V	98.2	Very high	96.2	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.018	25%	0.249	C	C	.	.	H	α-helix	trans	-56.6	-41	-175.5	175.6	0	0	0	0	112.1	P344 V349 G350 Y381 I383 P425 F428 W450 L459	P344-V346 PolarHBondContact O-N 2.87Å; V346-V349 PolarHBondContact O-N 3.48Å; V346-G350 PolarHBondContact O-N 2.82Å; V346-Y381 HydrophobicContact CG2-CD1 4.36Å; V346-Y381 HydrophobicContact CG2-CE1 3.9Å; V346-Y381 HydrophobicContact CG2-CE2 4.18Å; V346-I383 HydrophobicContact CG1-CD1 4.26Å; V346-P425 HydrophobicContact CG2-CG 4.23Å; V346-F428 HydrophobicContact CB-CB 4.02Å; V346-F428 HydrophobicContact CB-CD2 3.83Å; V346-F428 HydrophobicContact CB-CG 4.04Å; V346-F428 HydrophobicContact CG1-CD2 3.4Å; V346-F428 HydrophobicContact CG1-CE2 3.69Å; V346-F428 HydrophobicContact CG1-CG 4.05Å; V346-F428 HydrophobicContact CG2-CB 4.04Å; V346-F428 HydrophobicContact CG2-CD2 4.24Å; V346-F428 HydrophobicContact CG2-CG 4.02Å; V346-W450 HydrophobicContact CG1-CH2 4.36Å; V346-L459 HydrophobicContact CB-CD1 4.29Å; V346-L459 HydrophobicContact CG1-CD1 3.4Å; V346-L459 VanDerWaalsContact CG1-CD1 3.4Å; V346-L459 HydrophobicContact CG2-CD1 3.85Å
347	G	98.1	Very high	96.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-67.8	-40.7	-178.7	0	0	0	0	0	112	D345 G350 D351 L429	D345-G347 VanDerWaalsContact C-N 3.27Å; D345-G347 PolarHBondContact O-N 3.4Å; D345-G347 WeakPolarHBondContact OD1-CA 3.47Å; D345-G347 PolarHBondContact OD1-N 2.84Å; G347-G350 PolarHBondContact O-N 2.85Å; G347-D351 PolarHBondContact O-N 2.9Å; G347-L429 WeakPolarHBondContact CA-O 3.38Å; G347-L429 PolarHBondContact N-O 3.01Å; G347-L429 VanDerWaalsContact N-O 3.13Å
348	R	98.4	Very high	96.3	Very high	83 Å²	83	41 Å²	41	31%	0.313	22%	0.224	S	C	.	.	H	α-helix	trans	-64.9	-41.3	175	-64	-171.4	176.2	178.5	-3	112.3	W340 D345 D351 I352 H432	W340-R348 HydrophobicContact CH2-CB 3.93Å; W340-R348 HydrophobicContact CZ3-CB 4Å; D345-R348 HydrophobicContact CB-CB 4.26Å; D345-R348 HydrophobicContact CB-CG 4.04Å; D345-R348 PolarHBondContact O-N 3.44Å; D345-R348 VanDerWaalsContact O-N 3.16Å; D345-R348 PolarHBondContact OD1-N 3.18Å; R348-D351 PolarHBondContact O-N 3.24Å; R348-I352 WeakPolarHBondContact O-CG1 3.44Å; R348-I352 PolarHBondContact O-N 2.86Å; R348-H432 VanDerWaalsContact CG-CD2 3.5Å; R348-H432 WeakPolarHBondContact CG-CD2 3.45Å
349	V	98.6	Very high	96.4	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.3	-48.1	173.8	168.3	0	0	0	0	110	L323 W340 P344 D345 V346 D351 I352 L353 F376 Y381 I383	L323-V349 HydrophobicContact CD2-CB 4.14Å; L323-V349 HydrophobicContact CD2-CG1 3.66Å; L323-V349 HydrophobicContact CD2-CG2 4.08Å; W340-V349 HydrophobicContact CH2-CG2 4.27Å; W340-V349 HydrophobicContact CZ2-CG2 4.41Å; P344-V349 HydrophobicContact CB-CG2 3.82Å; D345-V349 WeakPolarHBondContact O-CG2 3.37Å; D345-V349 PolarHBondContact O-N 3.27Å; V346-V349 PolarHBondContact O-N 3.48Å; V349-D351 VanDerWaalsContact C-N 3.28Å; V349-D351 PolarHBondContact O-N 2.84Å; V349-I352 PolarHBondContact O-N 2.81Å; V349-L353 HydrophobicContact CG1-CD1 3.76Å; V349-L353 HydrophobicContact CG1-CG 4.21Å; V349-L353 VanDerWaalsContact O-CG 3.27Å; V349-L353 WeakPolarHBondContact O-CG 3.44Å; V349-L353 PolarHBondContact O-N 2.83Å; V349-F376 HydrophobicContact CB-CE1 4.49Å; V349-F376 HydrophobicContact CG1-CD1 3.65Å; V349-F376 HydrophobicContact CG1-CD2 4.23Å; V349-F376 HydrophobicContact CG1-CE1 3.57Å; V349-F376 HydrophobicContact CG1-CE2 4.14Å; V349-F376 HydrophobicContact CG1-CG 3.98Å; V349-F376 HydrophobicContact CG1-CZ 3.82Å; V349-F376 HydrophobicContact CG2-CE1 4.19Å; V349-F376 HydrophobicContact CG2-CZ 3.89Å; V349-Y381 VanDerWaalsContact CG2-OH 3.28Å; V349-Y381 WeakPolarHBondContact CG2-OH 3.28Å; V349-I383 HydrophobicContact CG1-CD1 3.77Å
350	G	98.3	Very high	96.6	Very high	2 Å²	2	40.9 Å²	40.9	2%	0.021	20%	0.201	C	C	.	.	H	α-helix	trans	-56.6	-39.5	176.4	0	0	0	0	0	113.2	V346 G347 S354	V346-G350 PolarHBondContact O-N 2.82Å; G347-G350 PolarHBondContact O-N 2.85Å; G350-S354 WeakPolarHBondContact O-CB 3.3Å; G350-S354 PolarHBondContact O-N 2.88Å
351	D	98.5	Very high	96.8	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-62.6	-46.4	176	-69.8	-34.2	0	0	0	112.9	P333 H334 G347 R348 V349 W355 S431 H432 F433 R452	P333-D351 HydrophobicContact CB-CB 4.07Å; H334-D351 IonicContact CD2-OD2 3.73Å; H334-D351 IonicContact CE1-OD2 3.74Å; H334-D351 IonicContact NE2-OD2 2.79Å; H334-D351 PolarHBondContact NE2-OD2 2.8Å; G347-D351 PolarHBondContact O-N 2.9Å; R348-D351 PolarHBondContact O-N 3.24Å; V349-D351 VanDerWaalsContact C-N 3.28Å; V349-D351 PolarHBondContact O-N 2.84Å; D351-W355 WeakPolarHBondContact O-CB 3.29Å; D351-W355 PolarHBondContact O-N 2.91Å; D351-S431 PolarHBondContact OD1-OG 3.32Å; D351-H432 PolarHBondContact OD2-N 2.95Å; D351-F433 HydrophobicContact CB-CD2 4.12Å; D351-F433 HydrophobicContact CB-CE2 4.02Å; D351-F433 WeakPolarHBondContact OD1-CD2 3.22Å; D351-F433 WeakPolarHBondContact OD2-CD2 3.36Å; D351-F433 WeakPolarHBondContact OD2-CE2 3.39Å; D351-R452 IonicContact OD1-NH1 2.88Å; D351-R452 PolarHBondContact OD1-NH1 2.99Å
352	I	98.7	Very high	97	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-67.4	-44	179.6	-58.3	165.1	0	0	0	109.9	L323 P333 W340 R348 V349 S354 W355 V356	L323-I352 HydrophobicContact CD1-CB 4.03Å; L323-I352 HydrophobicContact CD1-CG2 3.46Å; L323-I352 VanDerWaalsContact CD1-CG2 3.46Å; L323-I352 HydrophobicContact CD2-CB 4.34Å; L323-I352 HydrophobicContact CD2-CD1 4.5Å; L323-I352 HydrophobicContact CG-CB 4.11Å; L323-I352 HydrophobicContact CG-CD1 4.28Å; L323-I352 HydrophobicContact CG-CG2 3.79Å; P333-I352 HydrophobicContact CB-CG1 4.32Å; P333-I352 WeakPolarHBondContact O-CG1 3.35Å; W340-I352 HydrophobicContact CH2-CD1 4.24Å; W340-I352 HydrophobicContact CZ2-CD1 4.18Å; R348-I352 WeakPolarHBondContact O-CG1 3.44Å; R348-I352 PolarHBondContact O-N 2.86Å; V349-I352 PolarHBondContact O-N 2.81Å; I352-S354 PolarHBondContact O-N 3.01Å; I352-W355 HydrophobicContact CG2-CE3 4.19Å; I352-W355 PolarHBondContact O-N 2.83Å; I352-V356 HydrophobicContact CG2-CG2 4.37Å; I352-V356 WeakPolarHBondContact O-CG2 3.41Å; I352-V356 PolarHBondContact O-N 3.1Å
353	L	98.7	Very high	96.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-59.9	-44.2	177.7	-67.6	175.7	0	0	0	112.2	L323 V349 V356 L357 I374 F376 I383 A385 F457	L323-L353 HydrophobicContact CD1-CD2 3.73Å; L323-L353 HydrophobicContact CD1-CG 4.31Å; L323-L353 HydrophobicContact CD2-CD2 4.31Å; L323-L353 HydrophobicContact CD2-CG 4.32Å; V349-L353 HydrophobicContact CG1-CD1 3.76Å; V349-L353 HydrophobicContact CG1-CG 4.21Å; V349-L353 VanDerWaalsContact O-CG 3.27Å; V349-L353 WeakPolarHBondContact O-CG 3.44Å; V349-L353 PolarHBondContact O-N 2.83Å; L353-V356 PolarHBondContact O-N 2.67Å; L353-L357 PolarHBondContact O-N 2.76Å; L353-I374 HydrophobicContact CD2-CB 4.08Å; L353-I374 HydrophobicContact CD2-CD1 4.08Å; L353-I374 HydrophobicContact CD2-CG2 3.45Å; L353-I374 VanDerWaalsContact CD2-CG2 3.45Å; L353-F376 HydrophobicContact CD1-CB 4.02Å; L353-F376 HydrophobicContact CD1-CG 4.44Å; L353-F376 HydrophobicContact CD2-CB 4.11Å; L353-I383 HydrophobicContact CD1-CB 4.11Å; L353-I383 HydrophobicContact CD1-CD1 4.36Å; L353-I383 HydrophobicContact CD1-CG2 3.8Å; L353-A385 HydrophobicContact CB-CB 4.33Å; L353-A385 HydrophobicContact CD1-CB 4.33Å; L353-F457 HydrophobicContact CB-CE1 3.96Å; L353-F457 HydrophobicContact CD1-CE1 4.48Å
354	S	97.4	Very high	96.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-59.6	-47.6	174.5	-156.9	0	0	0	0	110.6	G350 I352 V356 L357 E358 R452	G350-S354 WeakPolarHBondContact O-CB 3.3Å; G350-S354 PolarHBondContact O-N 2.88Å; I352-S354 PolarHBondContact O-N 3.01Å; S354-V356 PolarHBondContact O-N 3.06Å; S354-L357 PolarHBondContact O-N 3.13Å; S354-E358 WeakPolarHBondContact O-CB 3.36Å; S354-E358 WeakPolarHBondContact O-CG 3.36Å; S354-E358 PolarHBondContact O-N 3Å; S354-E358 PolarHBondContact OG-OE1 3.38Å; S354-R452 WeakPolarHBondContact OG-CD 3.44Å; S354-R452 PolarHBondContact OG-NE 2.91Å
355	W	97.8	Very high	96.2	Very high	43 Å²	43	37.3 Å²	37.3	16%	0.163	18%	0.176	C	C	.	.	H	α-helix	trans	-62.1	-41	179.7	166.8	79.8	0	0	0	113.2	M306 G330 P333 D351 I352 E358 R359	M306-W355 HydrophobicContact CE-CH2 3.35Å; M306-W355 HydrophobicContact CE-CZ2 4.21Å; M306-W355 HydrophobicContact CE-CZ3 3.83Å; G330-W355 WeakPolarHBondContact O-CZ2 3.36Å; P333-W355 HydrophobicContact CG-CB 3.65Å; P333-W355 HydrophobicContact CG-CG 3.9Å; D351-W355 WeakPolarHBondContact O-CB 3.29Å; D351-W355 PolarHBondContact O-N 2.91Å; I352-W355 HydrophobicContact CG2-CE3 4.19Å; I352-W355 PolarHBondContact O-N 2.83Å; W355-E358 PolarHBondContact O-N 2.83Å; W355-R359 WeakPolarHBondContact O-CB 3.28Å; W355-R359 PolarHBondContact O-N 2.79Å
356	V	98.1	Very high	95.7	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.006	19%	0.19	C	C	.	.	H	α-helix	trans	-61.1	-47.5	176.1	173.7	0	0	0	0	110.4	L310 I316 I352 L353 S354 R359 H360 G361 L371 I374	L310-V356 HydrophobicContact CD1-CG1 4.3Å; I316-V356 HydrophobicContact CD1-CG1 4.31Å; I352-V356 HydrophobicContact CG2-CG2 4.37Å; I352-V356 WeakPolarHBondContact O-CG2 3.41Å; I352-V356 PolarHBondContact O-N 3.1Å; L353-V356 PolarHBondContact O-N 2.67Å; S354-V356 PolarHBondContact O-N 3.06Å; V356-R359 PolarHBondContact O-N 3.5Å; V356-H360 WeakPolarHBondContact O-CA 3.37Å; V356-H360 WeakPolarHBondContact O-CB 3.46Å; V356-H360 PolarHBondContact O-N 3.32Å; V356-G361 PolarHBondContact O-N 3.31Å; V356-L371 HydrophobicContact CG1-CD2 4.16Å; V356-I374 HydrophobicContact CB-CD1 3.82Å; V356-I374 HydrophobicContact CG1-CD1 3.66Å
357	L	97.9	Very high	95.4	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-66.2	-38.5	178.4	-72.3	175	0	0	0	112.5	L353 S354 G361 T363 L371 I374 A385 V387 V455	L353-L357 PolarHBondContact O-N 2.76Å; S354-L357 PolarHBondContact O-N 3.13Å; L357-G361 CarbonylContact O-C 3.54Å; L357-G361 WeakPolarHBondContact O-CA 3.39Å; L357-G361 PolarHBondContact O-N 3.19Å; L357-T363 HydrophobicContact CB-CG2 3.95Å; L357-T363 WeakPolarHBondContact O-CG2 3.45Å; L357-L371 HydrophobicContact CD2-CG 4.11Å; L357-I374 HydrophobicContact CD1-CD1 4.41Å; L357-I374 HydrophobicContact CD2-CD1 4.02Å; L357-I374 HydrophobicContact CD2-CG1 3.93Å; L357-I374 HydrophobicContact CG-CD1 3.74Å; L357-I374 HydrophobicContact CG-CG1 4.1Å; L357-A385 HydrophobicContact CD1-CB 4.15Å; L357-V387 HydrophobicContact CD2-CG2 4.25Å; L357-V455 HydrophobicContact CB-CG2 4.35Å; L357-V455 HydrophobicContact CD1-CB 4.44Å; L357-V455 HydrophobicContact CD1-CG1 3.57Å; L357-V455 HydrophobicContact CD1-CG2 3.93Å
358	E	95.1	Very high	95	Very high	101 Å²	101	48.3 Å²	48.3	47%	0.472	24%	0.239	S	C	.	.	H	α-helix	trans	-67.8	-37.8	177.6	-73.9	164.8	-155.6	0	0	112.3	S354 W355	S354-E358 WeakPolarHBondContact O-CB 3.36Å; S354-E358 WeakPolarHBondContact O-CG 3.36Å; S354-E358 PolarHBondContact O-N 3Å; S354-E358 PolarHBondContact OG-OE1 3.38Å; W355-E358 PolarHBondContact O-N 2.83Å
359	R	95.2	Very high	94.9	Very high	172 Å²	172	44.7 Å²	44.7	65%	0.649	23%	0.226	S	C	*	.	H	α-helix	trans	-89.3	-36.9	-173.6	-173.2	65.2	-178.9	112.4	-3.4	113.5	W355 V356	W355-R359 WeakPolarHBondContact O-CB 3.28Å; W355-R359 PolarHBondContact O-N 2.79Å; V356-R359 PolarHBondContact O-N 3.5Å
360	H	96.1	Very high	94.7	Very high	25 Å²	25	47.5 Å²	47.5	12%	0.116	24%	0.242	C	C	.	.	H	α-helix	trans	-122.9	-6.1	-171.8	-59.3	-82.5	0	0	0	113.1	M306 L310 V356 S369	M306-H360 VanDerWaalsContact CE-NE2 3.32Å; M306-H360 WeakPolarHBondContact CE-NE2 3.48Å; M306-H360 PolarHBondContact O-CE1 3.16Å; M306-H360 PolarHBondContact O-ND1 3.27Å; L310-H360 HydrophobicContact CB-CB 4.16Å; L310-H360 HydrophobicContact CD1-CB 4.32Å; V356-H360 WeakPolarHBondContact O-CA 3.37Å; V356-H360 WeakPolarHBondContact O-CB 3.46Å; V356-H360 PolarHBondContact O-N 3.32Å; H360-S369 VanDerWaalsContact O-CB 3.31Å; H360-S369 WeakPolarHBondContact O-CB 3.33Å; H360-S369 PolarHBondContact O-OG 3.33Å
361	G	95.9	Very high	94.7	Very high	2 Å²	2	47.4 Å²	47.4	2%	0.021	24%	0.241	C	C	.	.	S	Bend	trans	-103.1	-174.8	-179	0	0	0	0	0	114.8	V356 L357 T363 S367 S369 L371	V356-G361 PolarHBondContact O-N 3.31Å; L357-G361 CarbonylContact O-C 3.54Å; L357-G361 WeakPolarHBondContact O-CA 3.39Å; L357-G361 PolarHBondContact O-N 3.19Å; G361-T363 PolarHBondContact O-N 2.96Å; G361-S367 PolarHBondContact O-OG 2.99Å; G361-S367 VanDerWaalsContact O-OG 3.13Å; G361-S369 WeakPolarHBondContact CA-OG 3.38Å; G361-L371 CarbonylContact C-O 3Å; G361-L371 WeakPolarHBondContact CA-O 3.33Å
362	R	94.8	Very high	94.7	Very high	64 Å²	64	47.5 Å²	47.5	24%	0.242	24%	0.241	C	C	.	.	S	Bend	trans	-97.7	43	-178.9	-153	177.1	-178	154.6	-0.1	113	D364 S369 D370 L371 T372 V387 Y390	R362-D364 VanDerWaalsContact C-N 3.28Å; R362-S369 WeakPolarHBondContact CB-O 3.34Å; R362-S369 WeakPolarHBondContact CD-O 3.3Å; R362-S369 WeakPolarHBondContact CG-O 3.32Å; R362-D370 IonicContact NH1-OD1 3.3Å; R362-D370 PolarHBondContact NH1-OD1 3.17Å; R362-L371 PolarHBondContact N-O 3.48Å; R362-T372 HydrophobicContact CB-CG2 3.66Å; R362-V387 WeakPolarHBondContact O-CG1 3.3Å; R362-Y390 VanDerWaalsContact CD-OH 3.22Å; R362-Y390 WeakPolarHBondContact CD-OH 3.32Å; R362-Y390 PolarHBondContact NE-OH 3.25Å
363	T	91.2	Very high	94.7	Very high	26 Å²	26	47.5 Å²	47.5	16%	0.16	24%	0.241	C	C	.	.	S	Bend	trans	-70.9	-25.9	175.7	53.5	0	0	0	0	112.2	L357 G361 V387 N454 V455	L357-T363 HydrophobicContact CB-CG2 3.95Å; L357-T363 WeakPolarHBondContact O-CG2 3.45Å; G361-T363 PolarHBondContact O-N 2.96Å; T363-V387 HydrophobicContact CG2-CG2 3.98Å; T363-N454 VanDerWaalsContact CA-ND2 3.34Å; T363-N454 WeakPolarHBondContact CA-ND2 3.34Å; T363-N454 WeakPolarHBondContact CB-OD1 3.32Å; T363-N454 PolarHBondContact O-ND2 2.9Å; T363-V455 HydrophobicContact CG2-CG2 3.82Å
364	D	89.3	Confident	94.7	Very high	86 Å²	86	47.6 Å²	47.6	46%	0.46	24%	0.241	S	C	.	.	S	Bend	trans	-98.7	127.9	167.4	-169.1	-39.2	0	0	0	108.8	R362 S366 S367	R362-D364 VanDerWaalsContact C-N 3.28Å; D364-S366 PolarHBondContact O-N 2.82Å; D364-S366 VanDerWaalsContact O-N 3.11Å; D364-S366 WeakPolarHBondContact OD1-CB 3.39Å; D364-S366 PolarHBondContact OD1-N 2.89Å; D364-S366 PolarHBondContact OD1-OG 3.27Å; D364-S366 PolarHBondContact OD2-OG 3.38Å; D364-S367 WeakPolarHBondContact O-CB 3.49Å; D364-S367 PolarHBondContact O-N 3.3Å
365	P	85.1	Confident	94.8	Very high	109 Å²	109	47.6 Å²	47.6	71%	0.708	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-22.9	174.7	-25.7	35	0	0	0	114.6	S367	P365-S367 VanDerWaalsContact C-N 3.34Å
366	S	88.6	Confident	94.9	Very high	90 Å²	90	45.5 Å²	45.5	63%	0.629	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-6.9	174.7	68.3	0	0	0	0	114.3	D364	D364-S366 PolarHBondContact O-N 2.82Å; D364-S366 VanDerWaalsContact O-N 3.11Å; D364-S366 WeakPolarHBondContact OD1-CB 3.39Å; D364-S366 PolarHBondContact OD1-N 2.89Å; D364-S366 PolarHBondContact OD1-OG 3.27Å; D364-S366 PolarHBondContact OD2-OG 3.38Å
367	S	90.7	Very high	94.9	Very high	34 Å²	34	46 Å²	46	24%	0.238	24%	0.236	C	C	.	.			trans	-67.9	135.5	173	-174.9	0	0	0	0	110.4	G361 D364 P365 S369	G361-S367 PolarHBondContact O-OG 2.99Å; G361-S367 VanDerWaalsContact O-OG 3.13Å; D364-S367 WeakPolarHBondContact O-CB 3.49Å; D364-S367 PolarHBondContact O-N 3.3Å; P365-S367 VanDerWaalsContact C-N 3.34Å; S367-S369 WeakPolarHBondContact OG-CB 3.34Å; S367-S369 PolarHBondContact OG-N 2.77Å
368	E	91.2	Very high	94.8	Very high	176 Å²	176	46.5 Å²	46.5	82%	0.822	24%	0.239	S	C	*	.			trans	-81	-2.6	172.1	-62.9	-65.6	141	0	0	112.5
369	S	95.2	Very high	94.8	Very high	6 Å²	6	47 Å²	47	4%	0.042	24%	0.244	C	C	.	.			trans	-71.9	145.5	175	173.3	0	0	0	0	111.3	P311 H360 G361 R362 S367 L371	P311-S369 WeakPolarHBondContact CA-OG 3.44Å; P311-S369 CarbonylContact O-C 3.53Å; P311-S369 VanDerWaalsContact O-CA 3.26Å; P311-S369 WeakPolarHBondContact O-CA 3.28Å; H360-S369 VanDerWaalsContact O-CB 3.31Å; H360-S369 WeakPolarHBondContact O-CB 3.33Å; H360-S369 PolarHBondContact O-OG 3.33Å; G361-S369 WeakPolarHBondContact CA-OG 3.38Å; R362-S369 WeakPolarHBondContact CB-O 3.34Å; R362-S369 WeakPolarHBondContact CD-O 3.3Å; R362-S369 WeakPolarHBondContact CG-O 3.32Å; S367-S369 WeakPolarHBondContact OG-CB 3.34Å; S367-S369 PolarHBondContact OG-N 2.77Å; S369-L371 PolarHBondContact OG-N 3.21Å; S369-L371 VanDerWaalsContact OG-N 3.12Å
370	D	95.9	Very high	94.8	Very high	60 Å²	60	38.9 Å²	38.9	32%	0.321	21%	0.214	S	C	.	.			trans	-96.9	-9.5	172.3	-72.5	-35.5	0	0	0	113.6	P311 V313 S314 R362 T372	P311-D370 PolarHBondContact O-N 3.29Å; V313-D370 CarbonylContact O-C 3.35Å; S314-D370 WeakPolarHBondContact CA-O 3.41Å; R362-D370 IonicContact NH1-OD1 3.3Å; R362-D370 PolarHBondContact NH1-OD1 3.17Å; D370-T372 WeakPolarHBondContact O-CG2 3.45Å; D370-T372 PolarHBondContact O-N 2.97Å; D370-T372 VanDerWaalsContact O-N 3.16Å; D370-T372 PolarHBondContact O-OG1 2.97Å
371	L	98.1	Very high	94.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.209	C	C	.	.			trans	-69.2	114.6	-173.8	174.2	66	0	0	0	111.8	L310 V313 I316 V356 L357 G361 R362 S369	L310-L371 HydrophobicContact CB-CD2 4.26Å; L310-L371 WeakPolarHBondContact O-CB 3.42Å; V313-L371 WeakPolarHBondContact O-CA 3.17Å; V313-L371 WeakPolarHBondContact O-CB 3.22Å; V313-L371 PolarHBondContact O-N 2.9Å; I316-L371 HydrophobicContact CG1-CD1 4.38Å; I316-L371 HydrophobicContact CG2-CD1 4Å; V356-L371 HydrophobicContact CG1-CD2 4.16Å; L357-L371 HydrophobicContact CD2-CG 4.11Å; G361-L371 CarbonylContact C-O 3Å; G361-L371 WeakPolarHBondContact CA-O 3.33Å; R362-L371 PolarHBondContact N-O 3.48Å; S369-L371 PolarHBondContact OG-N 3.21Å; S369-L371 VanDerWaalsContact OG-N 3.12Å
372	T	98.3	Very high	95.1	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.018	21%	0.208	C	C	.	.			trans	-134.8	-1.8	-174.1	51.3	0	0	0	0	113.8	S314 R362 D370 T386 V387 Y390 W391	S314-T372 PolarHBondContact O-N 2.92Å; S314-T372 PolarHBondContact O-OG1 3.45Å; R362-T372 HydrophobicContact CB-CG2 3.66Å; D370-T372 WeakPolarHBondContact O-CG2 3.45Å; D370-T372 PolarHBondContact O-N 2.97Å; D370-T372 VanDerWaalsContact O-N 3.16Å; D370-T372 PolarHBondContact O-OG1 2.97Å; T372-T386 CarbonylContact O-C 3.5Å; T372-T386 VanDerWaalsContact O-CA 3.25Å; T372-T386 WeakPolarHBondContact O-CA 3.29Å; T372-V387 HydrophobicContact CG2-CB 4.03Å; T372-V387 HydrophobicContact CG2-CG2 4.15Å; T372-V387 PolarHBondContact O-N 3.04Å; T372-Y390 HydrophobicContact CG2-CD1 3.66Å; T372-Y390 HydrophobicContact CG2-CD2 3.82Å; T372-Y390 HydrophobicContact CG2-CE1 3.75Å; T372-Y390 HydrophobicContact CG2-CE2 3.96Å; T372-Y390 HydrophobicContact CG2-CG 3.69Å; T372-W391 PolarHBondContact OG1-NE1 3.24Å
373	R	98.8	Very high	95.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	125.5	-178.8	175.2	-178.9	178.4	-70	1.2	112.4	S314 S315 I316 L384 A385 T386 W391 G482 S486	S314-R373 PolarHBondContact O-N 3.42Å; S315-R373 CarbonylContact C-O 3.53Å; S315-R373 WeakPolarHBondContact CA-O 3.45Å; S315-R373 WeakPolarHBondContact OG-CD 3.49Å; S315-R373 VanDerWaalsContact OG-CG 3.31Å; S315-R373 WeakPolarHBondContact OG-CG 3.27Å; S315-R373 PolarHBondContact OG-NH1 2.93Å; S315-R373 PolarHBondContact OG-O 2.83Å; I316-R373 PolarHBondContact N-O 3.2Å; R373-L384 HydrophobicContact CG-CD1 4.13Å; R373-A385 CarbonylContact C-O 3.58Å; R373-A385 WeakPolarHBondContact CA-O 3.46Å; R373-T386 HydrophobicContact CB-CG2 4.02Å; R373-T386 HydrophobicContact CG-CG2 3.91Å; R373-W391 HydrophobicContact CB-CD2 4.26Å; R373-W391 HydrophobicContact CB-CG 4.35Å; R373-W391 HydrophobicContact CB-CZ2 4.08Å; R373-W391 HydrophobicContact CG-CD2 4.48Å; R373-G482 PolarHBondContact NH2-O 3.31Å; R373-S486 PolarHBondContact NE-OG 3.13Å; R373-S486 PolarHBondContact NH2-OG 3.49Å
374	I	98.9	Very high	95.6	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	121.9	169.1	-51.4	179.8	0	0	0	108.7	I316 L318 L353 V356 L357 A385	I316-I374 HydrophobicContact CD1-CD1 4.19Å; I316-I374 HydrophobicContact CD1-CG1 4.04Å; I316-I374 HydrophobicContact CD1-CG2 4.23Å; I316-I374 HydrophobicContact CG1-CB 4.18Å; I316-I374 HydrophobicContact CG1-CG1 3.87Å; I316-I374 HydrophobicContact CG1-CG2 3.83Å; I316-I374 CarbonylContact O-C 3.53Å; I316-I374 WeakPolarHBondContact O-CA 3.38Å; L318-I374 HydrophobicContact CD2-CG2 4.28Å; L353-I374 HydrophobicContact CD2-CB 4.08Å; L353-I374 HydrophobicContact CD2-CD1 4.08Å; L353-I374 HydrophobicContact CD2-CG2 3.45Å; L353-I374 VanDerWaalsContact CD2-CG2 3.45Å; V356-I374 HydrophobicContact CB-CD1 3.82Å; V356-I374 HydrophobicContact CG1-CD1 3.66Å; L357-I374 HydrophobicContact CD1-CD1 4.41Å; L357-I374 HydrophobicContact CD2-CD1 4.02Å; L357-I374 HydrophobicContact CD2-CG1 3.93Å; L357-I374 HydrophobicContact CG-CD1 3.74Å; L357-I374 HydrophobicContact CG-CG1 4.1Å; I374-A385 PolarHBondContact N-O 3Å; I374-A385 PolarHBondContact O-N 3.07Å
375	H	98.9	Very high	96.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	95.2	169.7	-167.6	-171.2	0	0	0	109.4	I316 G317 L318 L384 I478	I316-H375 PolarHBondContact O-N 3.37Å; G317-H375 WeakPolarHBondContact CA-O 3.46Å; L318-H375 PolarHBondContact N-O 3.27Å; H375-L384 HydrophobicContact CB-CD1 3.58Å; H375-I478 PolarHBondContact CE1-O 3.29Å
376	F	98.9	Very high	96.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	128.3	174.9	173	-99.6	0	0	0	110.2	L318 E320 L323 V349 L353 T378 Y381 H382 I383	L318-F376 HydrophobicContact CD1-CD2 3.94Å; L318-F376 WeakPolarHBondContact O-CA 3.37Å; E320-F376 HydrophobicContact CB-CE2 4.18Å; E320-F376 HydrophobicContact CB-CZ 4.05Å; L323-F376 HydrophobicContact CB-CD2 4.27Å; L323-F376 HydrophobicContact CB-CE2 4.02Å; L323-F376 HydrophobicContact CD2-CD2 3.66Å; L323-F376 HydrophobicContact CD2-CE2 3.53Å; L323-F376 HydrophobicContact CD2-CZ 4.3Å; L323-F376 HydrophobicContact CG-CD2 4.47Å; L323-F376 HydrophobicContact CG-CE2 4.4Å; V349-F376 HydrophobicContact CB-CE1 4.49Å; V349-F376 HydrophobicContact CG1-CD1 3.65Å; V349-F376 HydrophobicContact CG1-CD2 4.23Å; V349-F376 HydrophobicContact CG1-CE1 3.57Å; V349-F376 HydrophobicContact CG1-CE2 4.14Å; V349-F376 HydrophobicContact CG1-CG 3.98Å; V349-F376 HydrophobicContact CG1-CZ 3.82Å; V349-F376 HydrophobicContact CG2-CE1 4.19Å; V349-F376 HydrophobicContact CG2-CZ 3.89Å; L353-F376 HydrophobicContact CD1-CB 4.02Å; L353-F376 HydrophobicContact CD1-CG 4.44Å; L353-F376 HydrophobicContact CD2-CB 4.11Å; F376-T378 HydrophobicContact CE1-CG2 3.75Å; F376-T378 HydrophobicContact CZ-CG2 4.04Å; F376-Y381 HydrophobicContact CD1-CE2 4.1Å; F376-Y381 HydrophobicContact CE1-CD2 4.36Å; F376-Y381 AromaticContact CE1-CE2 3.59Å; F376-Y381 HydrophobicContact CE1-CE2 3.59Å; F376-H382 CarbonylContact O-C 3.55Å; F376-H382 WeakPolarHBondContact O-CA 3.5Å; F376-I383 HydrophobicContact CB-CB 4.24Å; F376-I383 WeakPolarHBondContact CB-O 3.41Å; F376-I383 HydrophobicContact CD1-CB 4.16Å; F376-I383 HydrophobicContact CD1-CD1 4.45Å; F376-I383 HydrophobicContact CD1-CG1 4.22Å; F376-I383 PolarHBondContact N-O 3.4Å; F376-I383 PolarHBondContact O-N 3.29Å
377	H	98.5	Very high	97.2	Very high	12 Å²	12	20.2 Å²	20.2	6%	0.056	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	124.5	177.4	49.3	78.6	0	0	0	111.1	E292 L318 N319 I478	E292-H377 IonicContact OE1-CE1 2.9Å; E292-H377 IonicContact OE1-NE2 3.33Å; E292-H377 PolarHBondContact OE1-NE2 2.57Å; L318-H377 PolarHBondContact O-N 2.92Å; L318-H377 VanDerWaalsContact O-N 3.1Å; N319-H377 WeakPolarHBondContact CA-O 3.5Å; N319-H377 VanDerWaalsContact CB-O 3.26Å; N319-H377 WeakPolarHBondContact CB-O 3.15Å; H377-I478 HydrophobicContact CB-CD1 4.34Å; H377-I478 HydrophobicContact CB-CG2 3.8Å
378	T	96.8	Very high	97.5	Very high	10 Å²	10	21.6 Å²	21.6	6%	0.061	11%	0.11	C	C	.	.			trans	-128.3	170.2	170.3	-169.5	0	0	0	0	109.7	E320 P344 F376 A380 Y381 H382	E320-T378 WeakPolarHBondContact OE2-CA 3.39Å; E320-T378 WeakPolarHBondContact OE2-CB 3.33Å; E320-T378 PolarHBondContact OE2-OG1 3.28Å; P344-T378 HydrophobicContact CG-CG2 4.39Å; F376-T378 HydrophobicContact CE1-CG2 3.75Å; F376-T378 HydrophobicContact CZ-CG2 4.04Å; T378-A380 PolarHBondContact O-N 3.26Å; T378-A380 VanDerWaalsContact O-N 3.1Å; T378-Y381 HydrophobicContact CG2-CD1 3.89Å; T378-Y381 HydrophobicContact CG2-CD2 4.27Å; T378-Y381 HydrophobicContact CG2-CE1 3.78Å; T378-Y381 HydrophobicContact CG2-CE2 4.16Å; T378-Y381 HydrophobicContact CG2-CG 4.13Å; T378-Y381 WeakPolarHBondContact CG2-O 3.31Å; T378-Y381 PolarHBondContact N-O 2.89Å; T378-Y381 VanDerWaalsContact N-O 3.14Å; T378-H382 PolarHBondContact O-CD2 3.07Å
379	L	93.8	Very high	97.6	Very high	111 Å²	111	15.9 Å²	15.9	58%	0.581	10%	0.098	S	C	*	.	S	Bend	trans	-51.7	-40	-175.8	-178.2	65.3	0	0	0	113.4	V462 V464	L379-V462 WeakPolarHBondContact O-CB 3.36Å; L379-V464 HydrophobicContact CD1-CG1 3.71Å; L379-V464 HydrophobicContact CD1-CG2 4.48Å; L379-V464 HydrophobicContact CG-CG1 4.14Å; L379-V464 HydrophobicContact CG-CG2 4.32Å; L379-V464 WeakPolarHBondContact O-CG2 3.06Å
380	A	96.4	Very high	97.7	Very high	2 Å²	2	17.2 Å²	17.2	2%	0.017	10%	0.103	C	C	.	.	S	Bend	trans	-97.3	-26.2	-169.5	0	0	0	0	0	114.7	V343 T378 K423 A424 V462	V343-A380 HydrophobicContact CB-CB 4.41Å; V343-A380 HydrophobicContact CG1-CB 3.67Å; V343-A380 HydrophobicContact CG2-CB 3.81Å; T378-A380 PolarHBondContact O-N 3.26Å; T378-A380 VanDerWaalsContact O-N 3.1Å; A380-K423 HydrophobicContact CB-CB 4.04Å; A380-A424 WeakPolarHBondContact O-CB 3.47Å; A380-V462 PolarHBondContact O-N 2.81Å
381	Y	98.6	Very high	97.8	Very high	1 Å²	1	15.3 Å²	15.3	0%	0.004	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	157.9	-176.6	66.4	-93.5	0	0	0	110.1	V343 P344 V346 V349 F376 T378 I383 L459 T460	V343-Y381 HydrophobicContact CG1-CD1 4.07Å; V343-Y381 HydrophobicContact CG1-CE1 3.8Å; P344-Y381 WeakPolarHBondContact O-CE1 3.3Å; P344-Y381 PolarHBondContact O-OH 2.94Å; P344-Y381 VanDerWaalsContact O-OH 3.11Å; V346-Y381 HydrophobicContact CG2-CD1 4.36Å; V346-Y381 HydrophobicContact CG2-CE1 3.9Å; V346-Y381 HydrophobicContact CG2-CE2 4.18Å; V349-Y381 VanDerWaalsContact CG2-OH 3.28Å; V349-Y381 WeakPolarHBondContact CG2-OH 3.28Å; F376-Y381 HydrophobicContact CD1-CE2 4.1Å; F376-Y381 HydrophobicContact CE1-CD2 4.36Å; F376-Y381 AromaticContact CE1-CE2 3.59Å; F376-Y381 HydrophobicContact CE1-CE2 3.59Å; T378-Y381 HydrophobicContact CG2-CD1 3.89Å; T378-Y381 HydrophobicContact CG2-CD2 4.27Å; T378-Y381 HydrophobicContact CG2-CE1 3.78Å; T378-Y381 HydrophobicContact CG2-CE2 4.16Å; T378-Y381 HydrophobicContact CG2-CG 4.13Å; T378-Y381 WeakPolarHBondContact CG2-O 3.31Å; T378-Y381 PolarHBondContact N-O 2.89Å; T378-Y381 VanDerWaalsContact N-O 3.14Å; Y381-I383 HydrophobicContact CD2-CD1 4.2Å; Y381-I383 HydrophobicContact CD2-CG1 3.85Å; Y381-I383 HydrophobicContact CE2-CD1 3.64Å; Y381-I383 HydrophobicContact CE2-CG1 3.77Å; Y381-L459 HydrophobicContact CD2-CD1 3.9Å; Y381-L459 HydrophobicContact CD2-CG 4.12Å; Y381-L459 HydrophobicContact CE2-CD1 4.28Å; Y381-L459 HydrophobicContact CG-CD1 4.47Å; Y381-T460 WeakPolarHBondContact CA-O 3.44Å; Y381-T460 WeakPolarHBondContact CB-O 3.25Å
382	H	98.8	Very high	97.7	Very high	2 Å²	2	16 Å²	16	1%	0.009	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	152.6	171.8	-59.5	171	0	0	0	109.9	F376 T378 V398 G401 A402 L459 T460 V462 I478	F376-H382 CarbonylContact O-C 3.55Å; F376-H382 WeakPolarHBondContact O-CA 3.5Å; T378-H382 PolarHBondContact O-CD2 3.07Å; H382-V398 HydrophobicContact CB-CG2 3.79Å; H382-G401 PolarHBondContact CE1-O 3.49Å; H382-A402 PolarHBondContact ND1-N 3.27Å; H382-L459 VanDerWaalsContact O-CA 3.32Å; H382-L459 WeakPolarHBondContact O-CA 3.32Å; H382-T460 HydrophobicContact CB-CG2 4.48Å; H382-T460 PolarHBondContact N-O 2.71Å; H382-T460 PolarHBondContact O-N 2.7Å; H382-V462 VanDerWaalsContact CD2-CG2 3.5Å; H382-V462 WeakPolarHBondContact CD2-CG2 3.27Å; H382-V462 VanDerWaalsContact NE2-CG2 3.33Å; H382-V462 WeakPolarHBondContact NE2-CG2 3.35Å; H382-I478 WeakPolarHBondContact CE1-CG2 3.23Å
383	I	98.9	Very high	97.7	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	128.8	172.5	-59.2	179.3	0	0	0	109.2	V346 V349 L353 F376 Y381 W450 F457 H458 L459	V346-I383 HydrophobicContact CG1-CD1 4.26Å; V349-I383 HydrophobicContact CG1-CD1 3.77Å; L353-I383 HydrophobicContact CD1-CB 4.11Å; L353-I383 HydrophobicContact CD1-CD1 4.36Å; L353-I383 HydrophobicContact CD1-CG2 3.8Å; F376-I383 HydrophobicContact CB-CB 4.24Å; F376-I383 WeakPolarHBondContact CB-O 3.41Å; F376-I383 HydrophobicContact CD1-CB 4.16Å; F376-I383 HydrophobicContact CD1-CD1 4.45Å; F376-I383 HydrophobicContact CD1-CG1 4.22Å; F376-I383 PolarHBondContact N-O 3.4Å; F376-I383 PolarHBondContact O-N 3.29Å; Y381-I383 HydrophobicContact CD2-CD1 4.2Å; Y381-I383 HydrophobicContact CD2-CG1 3.85Å; Y381-I383 HydrophobicContact CE2-CD1 3.64Å; Y381-I383 HydrophobicContact CE2-CG1 3.77Å; I383-W450 HydrophobicContact CD1-CH2 4.14Å; I383-W450 HydrophobicContact CG2-CH2 4.4Å; I383-F457 HydrophobicContact CG2-CB 4.41Å; I383-F457 HydrophobicContact CG2-CD1 3.98Å; I383-H458 CarbonylContact C-O 3.55Å; I383-H458 VanDerWaalsContact CA-O 3.3Å; I383-H458 WeakPolarHBondContact CA-O 3.36Å; I383-L459 HydrophobicContact CD1-CD1 3.9Å; I383-L459 HydrophobicContact CG1-CB 4.08Å; I383-L459 HydrophobicContact CG1-CD1 3.83Å; I383-L459 HydrophobicContact CG1-CG 3.98Å
384	L	98.9	Very high	97.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	105.6	167.9	-159.2	58.3	0	0	0	108.5	R373 H375 Q394 A397 V398 F457 H458	R373-L384 HydrophobicContact CG-CD1 4.13Å; H375-L384 HydrophobicContact CB-CD1 3.58Å; L384-Q394 HydrophobicContact CD2-CB 3.96Å; L384-Q394 HydrophobicContact CD2-CG 4.38Å; L384-A397 HydrophobicContact CD2-CB 3.87Å; L384-V398 HydrophobicContact CB-CB 3.99Å; L384-V398 HydrophobicContact CB-CG2 4.01Å; L384-V398 HydrophobicContact CD2-CB 4.36Å; L384-F457 WeakPolarHBondContact O-CA 3.34Å; L384-H458 HydrophobicContact CB-CB 4.37Å; L384-H458 PolarHBondContact N-O 3.07Å; L384-H458 PolarHBondContact O-N 2.86Å; L384-H458 PolarHBondContact O-ND1 3.12Å
385	A	98.8	Very high	97.7	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	122.9	177.7	0	0	0	0	0	109.2	L353 L357 R373 I374 V455 F457	L353-A385 HydrophobicContact CB-CB 4.33Å; L353-A385 HydrophobicContact CD1-CB 4.33Å; L357-A385 HydrophobicContact CD1-CB 4.15Å; R373-A385 CarbonylContact C-O 3.58Å; R373-A385 WeakPolarHBondContact CA-O 3.46Å; I374-A385 PolarHBondContact N-O 3Å; I374-A385 PolarHBondContact O-N 3.07Å; A385-V455 HydrophobicContact CB-CG1 4.34Å; A385-F457 HydrophobicContact CB-CD1 3.68Å; A385-F457 HydrophobicContact CB-CE1 3.7Å; A385-F457 HydrophobicContact CB-CG 4.45Å; A385-F457 HydrophobicContact CB-CZ 4.48Å
386	T	98.7	Very high	97.7	Very high	5 Å²	5	20.7 Å²	20.7	3%	0.031	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	139.4	-176.1	50.4	0	0	0	0	112.4	T372 R373 D388 W391 Q394 V455 T456	T372-T386 CarbonylContact O-C 3.5Å; T372-T386 VanDerWaalsContact O-CA 3.25Å; T372-T386 WeakPolarHBondContact O-CA 3.29Å; R373-T386 HydrophobicContact CB-CG2 4.02Å; R373-T386 HydrophobicContact CG-CG2 3.91Å; T386-D388 PolarHBondContact O-N 3.07Å; T386-W391 HydrophobicContact CG2-CB 4Å; T386-W391 HydrophobicContact CG2-CG 4.13Å; T386-Q394 HydrophobicContact CG2-CG 4.24Å; T386-V455 CarbonylContact O-C 3.58Å; T386-V455 WeakPolarHBondContact O-CA 3.47Å; T386-T456 PolarHBondContact N-O 3.31Å; T386-T456 PolarHBondContact O-N 2.62Å; T386-T456 PolarHBondContact OG1-O 3.24Å
387	V	98.2	Very high	97.7	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.012	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	130.4	165.3	-177.7	0	0	0	0	108.8	L357 R362 T363 T372 Y390 N454	L357-V387 HydrophobicContact CD2-CG2 4.25Å; R362-V387 WeakPolarHBondContact O-CG1 3.3Å; T363-V387 HydrophobicContact CG2-CG2 3.98Å; T372-V387 HydrophobicContact CG2-CB 4.03Å; T372-V387 HydrophobicContact CG2-CG2 4.15Å; T372-V387 PolarHBondContact O-N 3.04Å; V387-Y390 HydrophobicContact CB-CD2 3.96Å; V387-Y390 HydrophobicContact CB-CE2 4.3Å; V387-Y390 HydrophobicContact CG1-CD2 3.76Å; V387-Y390 HydrophobicContact CG1-CE2 3.66Å; V387-N454 CarbonylContact C-O 3.6Å; V387-N454 WeakPolarHBondContact CA-O 3.43Å
388	D	96.4	Very high	97.7	Very high	62 Å²	62	20.1 Å²	20.1	33%	0.332	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	138.4	-175.3	-73	-10.6	0	0	0	111.5	T386 Y390 N454 T456	T386-D388 PolarHBondContact O-N 3.07Å; D388-Y390 WeakPolarHBondContact O-CD2 3.25Å; D388-N454 WeakPolarHBondContact CB-O 3.38Å; D388-N454 PolarHBondContact N-O 3.4Å; D388-T456 VanDerWaalsContact OD1-CB 3.32Å; D388-T456 WeakPolarHBondContact OD1-CB 3.42Å; D388-T456 PolarHBondContact OD1-N 2.88Å; D388-T456 PolarHBondContact OD1-OG1 3.14Å
389	G	94.8	Very high	97.8	Very high	56 Å²	56	19.9 Å²	19.9	58%	0.577	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.8	-6.1	176.3	0	0	0	0	0	115.8	M489	G389-M489 WeakPolarHBondContact O-CB 3.45Å
390	Y	95.9	Very high	98	Very high	34 Å²	34	14.6 Å²	14.6	13%	0.133	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-33.7	-179.6	-69.8	-95.9	0	0	0	113.8	R362 T372 V387 D388 M489 Q491	R362-Y390 VanDerWaalsContact CD-OH 3.22Å; R362-Y390 WeakPolarHBondContact CD-OH 3.32Å; R362-Y390 PolarHBondContact NE-OH 3.25Å; T372-Y390 HydrophobicContact CG2-CD1 3.66Å; T372-Y390 HydrophobicContact CG2-CD2 3.82Å; T372-Y390 HydrophobicContact CG2-CE1 3.75Å; T372-Y390 HydrophobicContact CG2-CE2 3.96Å; T372-Y390 HydrophobicContact CG2-CG 3.69Å; V387-Y390 HydrophobicContact CB-CD2 3.96Å; V387-Y390 HydrophobicContact CB-CE2 4.3Å; V387-Y390 HydrophobicContact CG1-CD2 3.76Å; V387-Y390 HydrophobicContact CG1-CE2 3.66Å; D388-Y390 WeakPolarHBondContact O-CD2 3.25Å; Y390-M489 WeakPolarHBondContact O-CB 3.13Å; Y390-M489 PolarHBondContact O-N 2.91Å; Y390-Q491 PolarHBondContact OH-NE2 2.58Å; Y390-Q491 VanDerWaalsContact OH-NE2 3.15Å
391	W	97.7	Very high	98.1	Very high	20 Å²	20	14.5 Å²	14.5	8%	0.076	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	138.8	-170.4	-63.1	91.5	0	0	0	112.4	W67 P288 T372 R373 T386 Q394 E487 L488	W67-W391 HydrophobicContact CZ2-CZ3 4.48Å; P288-W391 HydrophobicContact CB-CH2 4.32Å; T372-W391 PolarHBondContact OG1-NE1 3.24Å; R373-W391 HydrophobicContact CB-CD2 4.26Å; R373-W391 HydrophobicContact CB-CG 4.35Å; R373-W391 HydrophobicContact CB-CZ2 4.08Å; R373-W391 HydrophobicContact CG-CD2 4.48Å; T386-W391 HydrophobicContact CG2-CB 4Å; T386-W391 HydrophobicContact CG2-CG 4.13Å; W391-Q394 HydrophobicContact CB-CG 4.05Å; W391-E487 CarbonylContact C-O 3.52Å; W391-E487 WeakPolarHBondContact CA-O 3.1Å; W391-L488 HydrophobicContact CD2-CD1 4.26Å; W391-L488 HydrophobicContact CE3-CD1 4.41Å; W391-L488 HydrophobicContact CH2-CD1 4.15Å; W391-L488 HydrophobicContact CZ2-CD1 3.95Å; W391-L488 HydrophobicContact CZ3-CD1 4.36Å
392	G	97.4	Very high	98.1	Very high	14 Å²	14	14.4 Å²	14.4	14%	0.144	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	163.8	176.9	0	0	0	0	0	112.3	Q394 E487	G392-Q394 VanDerWaalsContact C-N 3.26Å; G392-Q394 PolarHBondContact O-N 3.25Å; G392-Q394 PolarHBondContact O-OE1 3.35Å; G392-E487 PolarHBondContact N-O 2.82Å; G392-E487 PolarHBondContact O-N 3.11Å
393	N	98.3	Very high	98.1	Very high	54 Å²	54	16.8 Å²	16.8	29%	0.289	11%	0.105	S	C	.	.			trans	64.3	22.3	179.7	-157	40.9	0	0	0	115.7	A61 P63 A395 A396 A397 Y485	A61-N393 PolarHBondContact O-ND2 3.34Å; P63-N393 HydrophobicContact CB-CB 4.08Å; N393-A395 VanDerWaalsContact C-N 3.33Å; N393-A395 PolarHBondContact O-N 3.43Å; N393-A396 PolarHBondContact O-N 3.08Å; N393-A396 WeakPolarHBondContact OD1-CB 3.24Å; N393-A397 PolarHBondContact O-N 3.38Å; N393-Y485 WeakPolarHBondContact CB-O 3.43Å; N393-Y485 PolarHBondContact ND2-O 2.67Å
394	Q	98.4	Very high	98.1	Very high	7 Å²	7	17.1 Å²	17.1	3%	0.033	11%	0.106	C	C	.	.	H	α-helix	trans	-65.3	-29.8	-171.3	-58.6	-54.8	94.7	0	0	114.4	L384 T386 W391 G392 A397 V398 H458 S486	L384-Q394 HydrophobicContact CD2-CB 3.96Å; L384-Q394 HydrophobicContact CD2-CG 4.38Å; T386-Q394 HydrophobicContact CG2-CG 4.24Å; W391-Q394 HydrophobicContact CB-CG 4.05Å; G392-Q394 VanDerWaalsContact C-N 3.26Å; G392-Q394 PolarHBondContact O-N 3.25Å; G392-Q394 PolarHBondContact O-OE1 3.35Å; Q394-A397 PolarHBondContact O-N 2.7Å; Q394-V398 PolarHBondContact O-N 2.63Å; Q394-H458 VanDerWaalsContact CB-CE1 3.48Å; Q394-H458 WeakPolarHBondContact CB-CE1 3.39Å; Q394-S486 PolarHBondContact OE1-OG 3.16Å
395	A	98.4	Very high	98	Very high	38 Å²	38	17.4 Å²	17.4	31%	0.314	11%	0.109	S	C	.	.	H	α-helix	trans	-64.6	-47.8	174.2	0	0	0	0	0	111.7	N393 A397 V398 M399 V447	N393-A395 VanDerWaalsContact C-N 3.33Å; N393-A395 PolarHBondContact O-N 3.43Å; A395-A397 VanDerWaalsContact C-N 3.33Å; A395-V398 WeakPolarHBondContact O-CG1 3.48Å; A395-M399 WeakPolarHBondContact O-CE 3.49Å; A395-M399 WeakPolarHBondContact O-CG 3.49Å; A395-M399 PolarHBondContact O-N 3.44Å; A395-V447 HydrophobicContact CB-CG1 4.18Å; A395-V447 HydrophobicContact CB-CG2 4.42Å
396	A	98.7	Very high	97.9	Very high	4 Å²	4	17.4 Å²	17.4	3%	0.033	11%	0.109	C	C	.	.	H	α-helix	trans	-65.3	-39	175.6	0	0	0	0	0	111.3	N393 M399 A400	N393-A396 PolarHBondContact O-N 3.08Å; N393-A396 WeakPolarHBondContact OD1-CB 3.24Å; A396-M399 PolarHBondContact O-N 2.81Å; A396-A400 WeakPolarHBondContact O-CB 3.48Å; A396-A400 PolarHBondContact O-N 3.22Å
397	A	98.8	Very high	97.7	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-60.6	-48.6	178.8	0	0	0	0	0	113.5	L384 N393 Q394 A395 M399 A400 G401	L384-A397 HydrophobicContact CD2-CB 3.87Å; N393-A397 PolarHBondContact O-N 3.38Å; Q394-A397 PolarHBondContact O-N 2.7Å; A395-A397 VanDerWaalsContact C-N 3.33Å; A397-M399 VanDerWaalsContact C-N 3.34Å; A397-M399 PolarHBondContact O-N 2.72Å; A397-A400 PolarHBondContact O-N 3.1Å; A397-G401 PolarHBondContact O-N 2.89Å
398	V	98.9	Very high	97.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-67.5	-37	179.9	76.9	0	0	0	0	111.4	H382 L384 Q394 A395 G401 A402 V447 H458 T460	H382-V398 HydrophobicContact CB-CG2 3.79Å; L384-V398 HydrophobicContact CB-CB 3.99Å; L384-V398 HydrophobicContact CB-CG2 4.01Å; L384-V398 HydrophobicContact CD2-CB 4.36Å; Q394-V398 PolarHBondContact O-N 2.63Å; A395-V398 WeakPolarHBondContact O-CG1 3.48Å; V398-G401 PolarHBondContact O-N 3.15Å; V398-A402 PolarHBondContact O-N 3Å; V398-V447 HydrophobicContact CG1-CG1 4.33Å; V398-V447 HydrophobicContact CG1-CG2 4.49Å; V398-H458 HydrophobicContact CG1-CB 3.99Å; V398-T460 HydrophobicContact CB-CG2 4.17Å; V398-T460 HydrophobicContact CG1-CG2 3.8Å; V398-T460 HydrophobicContact CG2-CG2 3.77Å; V398-T460 WeakPolarHBondContact O-CG2 3.48Å
399	M	98.8	Very high	97.4	Very high	5 Å²	5	17.9 Å²	17.9	3%	0.025	11%	0.111	C	C	.	.	H	α-helix	trans	-64.7	-41.5	173.5	-72.3	-172	-66.5	0	0	112.5	W56 L59 I60 A395 A396 A397 G401 A402 R403 P446 V447	W56-M399 VanDerWaalsContact CD1-SD 3.59Å; L59-M399 HydrophobicContact CB-CE 3.67Å; L59-M399 HydrophobicContact CB-SD 4.29Å; I60-M399 HydrophobicContact CD1-CB 3.88Å; I60-M399 HydrophobicContact CG1-CB 3.65Å; I60-M399 HydrophobicContact CG1-CE 4.25Å; A395-M399 WeakPolarHBondContact O-CE 3.49Å; A395-M399 WeakPolarHBondContact O-CG 3.49Å; A395-M399 PolarHBondContact O-N 3.44Å; A396-M399 PolarHBondContact O-N 2.81Å; A397-M399 VanDerWaalsContact C-N 3.34Å; A397-M399 PolarHBondContact O-N 2.72Å; M399-G401 VanDerWaalsContact C-N 3.35Å; M399-A402 PolarHBondContact O-N 3.36Å; M399-R403 WeakPolarHBondContact O-CB 3.43Å; M399-R403 PolarHBondContact O-N 3.34Å; M399-P446 HydrophobicContact SD-CG 3.99Å; M399-V447 HydrophobicContact CE-CG2 4.02Å; M399-V447 HydrophobicContact CG-CG2 3.38Å; M399-V447 HydrophobicContact SD-CG2 3.47Å; M399-V447 WeakPolarHBondContact SD-CG2 3.45Å
400	A	98.8	Very high	97.4	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-61.2	-44.4	176.4	0	0	0	0	0	111.4	I60 A396 A397 A402 R403 V404 Y485	I60-A400 HydrophobicContact CG2-CB 4.11Å; A396-A400 WeakPolarHBondContact O-CB 3.48Å; A396-A400 PolarHBondContact O-N 3.22Å; A397-A400 PolarHBondContact O-N 3.1Å; A400-A402 PolarHBondContact O-N 2.8Å; A400-R403 PolarHBondContact O-N 3.38Å; A400-V404 PolarHBondContact O-N 3.38Å; A400-Y485 HydrophobicContact CB-CD1 4.21Å; A400-Y485 HydrophobicContact CB-CD2 3.37Å; A400-Y485 HydrophobicContact CB-CE1 4.42Å; A400-Y485 HydrophobicContact CB-CE2 3.59Å; A400-Y485 HydrophobicContact CB-CG 3.7Å
401	G	98.6	Very high	97.2	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-55.8	-48.2	171	0	0	0	0	0	112.5	H382 A397 V398 M399 R403 V404 A405	H382-G401 PolarHBondContact CE1-O 3.49Å; A397-G401 PolarHBondContact O-N 2.89Å; V398-G401 PolarHBondContact O-N 3.15Å; M399-G401 VanDerWaalsContact C-N 3.35Å; G401-R403 PolarHBondContact O-N 2.89Å; G401-V404 WeakPolarHBondContact O-CG1 3.35Å; G401-V404 PolarHBondContact O-N 2.85Å; G401-A405 PolarHBondContact O-N 3.21Å
402	A	98.6	Very high	97	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-65.6	-38.6	178.3	0	0	0	0	0	113.2	W56 H382 V398 M399 A400 A405 S406 T460 P461 V462	W56-A402 HydrophobicContact CH2-CB 4.01Å; W56-A402 HydrophobicContact CZ2-CB 3.68Å; H382-A402 PolarHBondContact ND1-N 3.27Å; V398-A402 PolarHBondContact O-N 3Å; M399-A402 PolarHBondContact O-N 3.36Å; A400-A402 PolarHBondContact O-N 2.8Å; A402-A405 WeakPolarHBondContact O-CB 3.4Å; A402-A405 PolarHBondContact O-N 2.8Å; A402-S406 PolarHBondContact O-N 2.97Å; A402-S406 VanDerWaalsContact O-N 3.16Å; A402-S406 PolarHBondContact O-OG 3.26Å; A402-T460 HydrophobicContact CB-CG2 3.67Å; A402-P461 WeakPolarHBondContact CB-O 3.36Å; A402-V462 HydrophobicContact CB-CG2 4.09Å
403	R	98.6	Very high	96.7	Very high	52 Å²	52	29.3 Å²	29.3	20%	0.196	15%	0.153	C	C	.	.	H	α-helix	trans	-66	-40.2	178.4	-174.7	-177.5	65.9	179.1	-4.8	112.1	W56 I60 M399 A400 G401 A405 S406 S407 V415 Y485	W56-R403 HydrophobicContact CD2-CB 4.29Å; W56-R403 HydrophobicContact CE3-CB 3.86Å; W56-R403 HydrophobicContact CE3-CG 4.03Å; W56-R403 HydrophobicContact CZ3-CB 4.15Å; W56-R403 HydrophobicContact CZ3-CG 4.48Å; I60-R403 HydrophobicContact CD1-CB 4.11Å; M399-R403 WeakPolarHBondContact O-CB 3.43Å; M399-R403 PolarHBondContact O-N 3.34Å; A400-R403 PolarHBondContact O-N 3.38Å; G401-R403 PolarHBondContact O-N 2.89Å; R403-A405 VanDerWaalsContact C-N 3.34Å; R403-S406 PolarHBondContact O-N 2.93Å; R403-S407 PolarHBondContact O-N 3.07Å; R403-S407 PolarHBondContact O-OG 3.41Å; R403-V415 HydrophobicContact CG-CG2 3.99Å; R403-Y485 PolarHBondContact NH2-OH 3.49Å
404	V	98.1	Very high	96.4	Very high	6 Å²	6	31.1 Å²	31.1	4%	0.036	17%	0.166	C	C	.	.	H	α-helix	trans	-66.7	-38.7	175.6	71.1	0	0	0	0	111.1	A400 G401 S406 S407 Q408 A477 I478 E481	A400-V404 PolarHBondContact O-N 3.38Å; G401-V404 WeakPolarHBondContact O-CG1 3.35Å; G401-V404 PolarHBondContact O-N 2.85Å; V404-S406 VanDerWaalsContact C-N 3.27Å; V404-S406 PolarHBondContact O-N 2.83Å; V404-S407 PolarHBondContact O-N 3.21Å; V404-S407 PolarHBondContact O-OG 2.9Å; V404-Q408 HydrophobicContact CG2-CB 4.21Å; V404-Q408 WeakPolarHBondContact O-CB 3.42Å; V404-Q408 PolarHBondContact O-N 2.87Å; V404-A477 HydrophobicContact CG2-CB 4.37Å; V404-I478 HydrophobicContact CG1-CB 4.49Å; V404-I478 HydrophobicContact CG1-CG1 4.02Å; V404-E481 HydrophobicContact CB-CB 4.49Å; V404-E481 HydrophobicContact CB-CG 3.82Å; V404-E481 HydrophobicContact CG1-CB 3.9Å; V404-E481 HydrophobicContact CG1-CG 3.66Å; V404-E481 HydrophobicContact CG2-CG 4.08Å
405	A	96.6	Very high	96.3	Very high	6 Å²	6	31.6 Å²	31.6	5%	0.05	17%	0.17	C	C	.	.	H	α-helix	trans	-55.5	-45.5	175.4	0	0	0	0	0	111.2	G401 A402 R403 A409 V462 L474 I478	G401-A405 PolarHBondContact O-N 3.21Å; A402-A405 WeakPolarHBondContact O-CB 3.4Å; A402-A405 PolarHBondContact O-N 2.8Å; R403-A405 VanDerWaalsContact C-N 3.34Å; A405-A409 WeakPolarHBondContact O-CB 3.41Å; A405-A409 PolarHBondContact O-N 2.94Å; A405-V462 HydrophobicContact CB-CG1 4.02Å; A405-L474 HydrophobicContact CB-CD2 4.37Å; A405-I478 HydrophobicContact CB-CD1 3.69Å; A405-I478 HydrophobicContact CB-CG1 3.87Å
406	S	96.4	Very high	96.2	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.007	17%	0.168	C	C	.	.	H	α-helix	trans	-64.4	-52.5	178.3	-62.4	0	0	0	0	113.4	A402 R403 V404 C410 L463	A402-S406 PolarHBondContact O-N 2.97Å; A402-S406 VanDerWaalsContact O-N 3.16Å; A402-S406 PolarHBondContact O-OG 3.26Å; R403-S406 PolarHBondContact O-N 2.93Å; V404-S406 VanDerWaalsContact C-N 3.27Å; V404-S406 PolarHBondContact O-N 2.83Å; S406-C410 PolarHBondContact O-N 2.9Å; S406-L463 WeakPolarHBondContact CA-O 3.34Å; S406-L463 WeakPolarHBondContact CB-O 3.35Å; S406-L463 WeakPolarHBondContact OG-CB 3.1Å; S406-L463 PolarHBondContact OG-N 2.86Å; S406-L463 PolarHBondContact OG-O 3.03Å
407	S	96.1	Very high	96.1	Very high	13 Å²	13	33.3 Å²	33.3	9%	0.091	17%	0.174	C	C	.	.	H	α-helix	trans	-72.8	-46.6	-173.1	52.2	0	0	0	0	112.2	R403 V404 C410 G411 L412	R403-S407 PolarHBondContact O-N 3.07Å; R403-S407 PolarHBondContact O-OG 3.41Å; V404-S407 PolarHBondContact O-N 3.21Å; V404-S407 PolarHBondContact O-OG 2.9Å; S407-C410 CarbonylContact O-C 3.56Å; S407-C410 PolarHBondContact O-N 2.93Å; S407-G411 PolarHBondContact O-N 3.2Å; S407-G411 VanDerWaalsContact O-N 3.14Å; S407-L412 CarbonylContact C-O 3.01Å; S407-L412 WeakPolarHBondContact CB-O 3.32Å; S407-L412 PolarHBondContact O-N 2.94Å
408	Q	95.2	Very high	95.9	Very high	59 Å²	59	36.8 Å²	36.8	28%	0.276	20%	0.198	S	C	.	.	H	α-helix	trans	-66.4	-42.4	-179	-177.1	170.6	-49.8	0	0	112	V404 C410 G411 L474 A477	V404-Q408 HydrophobicContact CG2-CB 4.21Å; V404-Q408 WeakPolarHBondContact O-CB 3.42Å; V404-Q408 PolarHBondContact O-N 2.87Å; Q408-C410 PolarHBondContact O-N 2.83Å; Q408-G411 PolarHBondContact O-N 2.99Å; Q408-L474 HydrophobicContact CB-CD1 3.77Å; Q408-L474 HydrophobicContact CG-CD1 3.87Å; Q408-A477 VanDerWaalsContact OE1-CB 3.29Å
409	A	92.6	Very high	95.8	Very high	6 Å²	6	40.9 Å²	40.9	5%	0.05	22%	0.216	C	C	.	.	H	α-helix	trans	-58.8	-37.1	176.5	0	0	0	0	0	112	A405 G411 C465 P468 L469 R470 L474	A405-A409 WeakPolarHBondContact O-CB 3.41Å; A405-A409 PolarHBondContact O-N 2.94Å; A409-G411 VanDerWaalsContact C-N 3.3Å; A409-G411 PolarHBondContact O-N 2.9Å; A409-C465 HydrophobicContact CB-CB 3.8Å; A409-P468 CarbonylContact O-C 3.56Å; A409-P468 VanDerWaalsContact O-CA 3.24Å; A409-P468 WeakPolarHBondContact O-CA 3.48Å; A409-L469 PolarHBondContact O-N 3.26Å; A409-R470 WeakPolarHBondContact CA-O 3.5Å; A409-L474 HydrophobicContact CB-CD1 4.46Å; A409-L474 HydrophobicContact CB-CD2 4.04Å
410	C	93.8	Very high	95.7	Very high	8 Å²	8	40.7 Å²	40.7	5%	0.054	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-3.4	175.7	-82.5	0	0	0	0	114.4	S406 S407 Q408 L412 C465	S406-C410 PolarHBondContact O-N 2.9Å; S407-C410 CarbonylContact O-C 3.56Å; S407-C410 PolarHBondContact O-N 2.93Å; Q408-C410 PolarHBondContact O-N 2.83Å; C410-L412 VanDerWaalsContact C-N 3.32Å; C410-L412 HydrophobicContact CB-CD1 4.01Å; C410-L412 HydrophobicContact CB-CG 4.07Å; C410-C465 WeakPolarHBondContact CA-SG 3.41Å; C410-C465 HydrophobicContact CB-CB 4.12Å; C410-C465 WeakPolarHBondContact CB-SG 3.26Å; C410-C465 WeakPolarHBondContact SG-CB 3.5Å; C410-C465 CovalentContact SG-SG 2.04Å; C410-C465 PolarHBondContact SG-SG 2.87Å
411	G	92.6	Very high	95.6	Very high	51 Å²	51	43.7 Å²	43.7	53%	0.526	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	36.6	-174.7	0	0	0	0	0	113.2	S407 Q408 A409	S407-G411 PolarHBondContact O-N 3.2Å; S407-G411 VanDerWaalsContact O-N 3.14Å; Q408-G411 PolarHBondContact O-N 2.99Å; A409-G411 VanDerWaalsContact C-N 3.3Å; A409-G411 PolarHBondContact O-N 2.9Å
412	L	93.4	Very high	95.5	Very high	56 Å²	56	45 Å²	45	29%	0.293	24%	0.236	S	C	.	.			trans	-120	158.8	-178.9	-60.8	176.7	0	0	0	110.8	S407 C410 T414 D416 K419	S407-L412 CarbonylContact C-O 3.01Å; S407-L412 WeakPolarHBondContact CB-O 3.32Å; S407-L412 PolarHBondContact O-N 2.94Å; C410-L412 VanDerWaalsContact C-N 3.32Å; C410-L412 HydrophobicContact CB-CD1 4.01Å; C410-L412 HydrophobicContact CB-CG 4.07Å; L412-T414 VanDerWaalsContact CB-O 3.26Å; L412-T414 WeakPolarHBondContact CB-O 3.31Å; L412-D416 HydrophobicContact CD1-CB 3.5Å; L412-K419 HydrophobicContact CD1-CD 4.07Å
413	R	90.3	Very high	95.3	Very high	249 Å²	249	49.1 Å²	49.1	94%	0.94	25%	0.254	S	S	*	.	S	Bend	trans	-81.3	-28.6	172.3	-68.1	-174.4	175.6	-174.9	-3.5	113
414	T	93.9	Very high	95.2	Very high	93 Å²	93	47.1 Å²	47.1	57%	0.571	25%	0.249	S	C	*	.	S	Bend	trans	-132	161.8	-180	57	0	0	0	0	109.8	L412 D416	L412-T414 VanDerWaalsContact CB-O 3.26Å; L412-T414 WeakPolarHBondContact CB-O 3.31Å; T414-D416 PolarHBondContact O-N 2.82Å
415	V	95.9	Very high	95	Very high	17 Å²	17	49.1 Å²	49.1	10%	0.103	26%	0.262	C	S	.	.			trans	-73.5	121.9	-179.5	-179.5	0	0	0	0	110	W56 R403 V420 L463	W56-V415 HydrophobicContact CE3-CG2 4.41Å; W56-V415 HydrophobicContact CZ3-CG2 4.24Å; R403-V415 HydrophobicContact CG-CG2 3.99Å; V415-V420 HydrophobicContact CG1-CG1 4.21Å; V415-V420 HydrophobicContact CG1-CG2 4.03Å; V415-L463 HydrophobicContact CG1-CD1 4.07Å
416	D	95.7	Very high	94.8	Very high	52 Å²	52	52.7 Å²	52.7	28%	0.278	28%	0.28	S	S	.	.			trans	-96.7	103.6	169.3	178.3	-10.8	0	0	0	109	L412 T414 S418 K419 V420	L412-D416 HydrophobicContact CD1-CB 3.5Å; T414-D416 PolarHBondContact O-N 2.82Å; D416-S418 VanDerWaalsContact CG-OG 3.31Å; D416-S418 PolarHBondContact O-N 2.96Å; D416-S418 WeakPolarHBondContact OD1-CB 3.09Å; D416-S418 PolarHBondContact OD1-N 3.02Å; D416-S418 PolarHBondContact OD1-OG 3.45Å; D416-S418 PolarHBondContact OD2-OG 2.91Å; D416-K419 HydrophobicContact CB-CB 4.42Å; D416-K419 HydrophobicContact CB-CD 4.18Å; D416-K419 HydrophobicContact CB-CG 4.37Å; D416-K419 PolarHBondContact O-N 3.27Å; D416-K419 WeakPolarHBondContact OD2-CD 3.3Å; D416-K419 WeakPolarHBondContact OD2-CE 3.48Å; D416-K419 IonicContact OD2-NZ 2.77Å; D416-K419 PolarHBondContact OD2-NZ 3.45Å; D416-V420 PolarHBondContact O-N 3.28Å
417	V	96.3	Very high	94.8	Very high	25 Å²	25	58 Å²	58	15%	0.152	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-53.5	-28.8	-177.6	-179.2	0	0	0	0	112.3	E49 R50 K419	E49-V417 HydrophobicContact CB-CG1 3.85Å; R50-V417 HydrophobicContact CB-CG1 4.21Å; V417-K419 VanDerWaalsContact C-N 3.27Å; V417-K419 PolarHBondContact O-N 3.48Å
418	S	95.5	Very high	94.9	Very high	73 Å²	73	58.2 Å²	58.2	51%	0.51	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-68.9	-27	178.6	75.4	0	0	0	0	113.1	D416 K466	D416-S418 VanDerWaalsContact CG-OG 3.31Å; D416-S418 PolarHBondContact O-N 2.96Å; D416-S418 WeakPolarHBondContact OD1-CB 3.09Å; D416-S418 PolarHBondContact OD1-N 3.02Å; D416-S418 PolarHBondContact OD1-OG 3.45Å; D416-S418 PolarHBondContact OD2-OG 2.91Å; S418-K466 PolarHBondContact O-NZ 3.49Å
419	K	95.9	Very high	95	Very high	86 Å²	86	58.2 Å²	58.2	37%	0.374	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-97.8	-6.4	-174.8	-65.9	178.9	-174.6	165.4	0	114	L412 D416 V417 K466	L412-K419 HydrophobicContact CD1-CD 4.07Å; D416-K419 HydrophobicContact CB-CB 4.42Å; D416-K419 HydrophobicContact CB-CD 4.18Å; D416-K419 HydrophobicContact CB-CG 4.37Å; D416-K419 PolarHBondContact O-N 3.27Å; D416-K419 WeakPolarHBondContact OD2-CD 3.3Å; D416-K419 WeakPolarHBondContact OD2-CE 3.48Å; D416-K419 IonicContact OD2-NZ 2.77Å; D416-K419 PolarHBondContact OD2-NZ 3.45Å; V417-K419 VanDerWaalsContact C-N 3.27Å; V417-K419 PolarHBondContact O-N 3.48Å; K419-K466 WeakPolarHBondContact O-CB 3.27Å; K419-K466 WeakPolarHBondContact O-CG 3.5Å; K419-K466 PolarHBondContact O-N 3.45Å
420	V	96.4	Very high	95.2	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.006	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	161.4	-178.7	-60.9	0	0	0	0	112	V415 D416 L463 V464 K466	V415-V420 HydrophobicContact CG1-CG1 4.21Å; V415-V420 HydrophobicContact CG1-CG2 4.03Å; D416-V420 PolarHBondContact O-N 3.28Å; V420-L463 HydrophobicContact CB-CB 3.87Å; V420-L463 HydrophobicContact CG1-CB 4.34Å; V420-L463 HydrophobicContact CG2-CB 3.81Å; V420-L463 HydrophobicContact CG2-CD1 4.31Å; V420-V464 CarbonylContact C-O 3.54Å; V420-V464 WeakPolarHBondContact CA-O 3.46Å; V420-K466 WeakPolarHBondContact O-CE 3.16Å; V420-K466 PolarHBondContact O-NZ 2.85Å
421	E	96.9	Very high	95.3	Very high	63 Å²	63	58 Å²	58	29%	0.294	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	142.7	174.5	53	-177	171.3	0	0	110.7	K423 V464 K466	E421-K423 HydrophobicContact CG-CG 4.35Å; E421-K423 WeakPolarHBondContact OE1-CE 3.25Å; E421-K423 IonicContact OE1-NZ 3.1Å; E421-K423 PolarHBondContact OE1-NZ 3.27Å; E421-V464 HydrophobicContact CG-CB 4.41Å; E421-V464 PolarHBondContact N-O 3.42Å; E421-V464 PolarHBondContact O-N 2.55Å; E421-K466 HydrophobicContact CB-CG 4.23Å; E421-K466 HydrophobicContact CG-CG 3.83Å
422	L	96.8	Very high	95.5	Very high	29 Å²	29	58 Å²	58	15%	0.152	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	124.1	172.8	-179.8	63.8	0	0	0	110.2	L48 E49 I52 A424 L426 P461 L463	L48-L422 HydrophobicContact CB-CD2 4.38Å; L48-L422 HydrophobicContact CD1-CD2 4.31Å; E49-L422 HydrophobicContact CG-CB 3.97Å; E49-L422 PolarHBondContact OE1-N 3.45Å; I52-L422 HydrophobicContact CD1-CD1 4.03Å; I52-L422 HydrophobicContact CD1-CD2 3.96Å; L422-A424 HydrophobicContact CD1-CB 4.06Å; L422-L426 HydrophobicContact CD2-CD2 3.78Å; L422-P461 HydrophobicContact CD1-CB 3.42Å; L422-P461 VanDerWaalsContact CD1-CB 3.42Å; L422-P461 HydrophobicContact CD1-CG 4.09Å; L422-L463 HydrophobicContact CB-CD2 4.38Å; L422-L463 HydrophobicContact CD1-CD2 4.33Å
423	K	95.4	Very high	95.4	Very high	85 Å²	85	60 Å²	60	37%	0.37	30%	0.296	S	S	.	.			trans	-114.6	-10.2	176.8	-65.1	-167.1	178.3	176.7	0	114.5	A380 E421 V464	A380-K423 HydrophobicContact CB-CB 4.04Å; E421-K423 HydrophobicContact CG-CG 4.35Å; E421-K423 WeakPolarHBondContact OE1-CE 3.25Å; E421-K423 IonicContact OE1-NZ 3.1Å; E421-K423 PolarHBondContact OE1-NZ 3.27Å; K423-V464 HydrophobicContact CB-CG2 4.14Å; K423-V464 HydrophobicContact CD-CB 4.25Å; K423-V464 HydrophobicContact CD-CG1 4.35Å; K423-V464 HydrophobicContact CD-CG2 4.09Å; K423-V464 HydrophobicContact CG-CB 4.36Å; K423-V464 HydrophobicContact CG-CG2 4.03Å
424	A	94.9	Very high	95.1	Very high	11 Å²	11	54.9 Å²	54.9	9%	0.091	28%	0.283	C	S	.	.	S	Bend	trans	-65.9	147.4	178.7	0	0	0	0	0	111.3	A380 L422 L426 L441 P461	A380-A424 WeakPolarHBondContact O-CB 3.47Å; L422-A424 HydrophobicContact CD1-CB 4.06Å; A424-L426 PolarHBondContact O-N 2.91Å; A424-L441 HydrophobicContact CB-CD1 4.09Å; A424-P461 HydrophobicContact CB-CB 3.62Å
425	P	94.1	Very high	94.8	Very high	48 Å²	48	54.9 Å²	54.9	31%	0.312	28%	0.284	S	S	.	.			trans	-65.7	132.1	169.1	29.5	-34.3	0	0	0	110.4	V346 E427 F428 L441	V346-P425 HydrophobicContact CG2-CG 4.23Å; P425-E427 VanDerWaalsContact C-N 3.32Å; P425-F428 HydrophobicContact CG-CB 4.36Å; P425-L441 WeakPolarHBondContact O-CD1 3.45Å
426	L	92.7	Very high	94.6	Very high	81 Å²	81	60.8 Å²	60.8	42%	0.424	31%	0.305	S	S	.	.	S	Bend	trans	-73.1	-25.6	177.1	-65.4	-179.4	0	0	0	112.9	L48 L422 A424 S440 L441	L48-L426 HydrophobicContact CD1-CD1 4.15Å; L48-L426 HydrophobicContact CD1-CD2 4.44Å; L422-L426 HydrophobicContact CD2-CD2 3.78Å; A424-L426 PolarHBondContact O-N 2.91Å; L426-S440 CarbonylContact O-C 3.53Å; L426-S440 WeakPolarHBondContact O-CA 3.49Å; L426-L441 PolarHBondContact O-N 2.89Å
427	E	96.6	Very high	94.5	Very high	113 Å²	113	63 Å²	63	53%	0.528	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	138.7	171	-63.8	-169.6	174.7	0	0	109.5	P425 R438 L439	P425-E427 VanDerWaalsContact C-N 3.32Å; E427-R438 IonicContact OE2-NH1 3.97Å; E427-R438 PolarHBondContact OE2-NH1 3.24Å; E427-L439 WeakPolarHBondContact CA-O 3.46Å
428	F	97.1	Very high	94.5	Very high	16 Å²	16	69.9 Å²	69.9	7%	0.07	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	162.4	179	59.4	-93	0	0	0	111.7	V346 P425 R438 L439 L441 A448 W450 L459	V346-F428 HydrophobicContact CB-CB 4.02Å; V346-F428 HydrophobicContact CB-CD2 3.83Å; V346-F428 HydrophobicContact CB-CG 4.04Å; V346-F428 HydrophobicContact CG1-CD2 3.4Å; V346-F428 HydrophobicContact CG1-CE2 3.69Å; V346-F428 HydrophobicContact CG1-CG 4.05Å; V346-F428 HydrophobicContact CG2-CB 4.04Å; V346-F428 HydrophobicContact CG2-CD2 4.24Å; V346-F428 HydrophobicContact CG2-CG 4.02Å; P425-F428 HydrophobicContact CG-CB 4.36Å; F428-R438 WeakPolarHBondContact O-CA 3.4Å; F428-L439 HydrophobicContact CE1-CB 4.41Å; F428-L439 HydrophobicContact CE2-CB 3.96Å; F428-L439 HydrophobicContact CE2-CD1 4.15Å; F428-L439 HydrophobicContact CZ-CB 3.89Å; F428-L439 HydrophobicContact CZ-CD1 4.3Å; F428-L439 PolarHBondContact N-O 3.35Å; F428-L439 PolarHBondContact O-N 2.93Å; F428-L441 HydrophobicContact CE1-CD2 4.23Å; F428-L441 HydrophobicContact CE1-CG 4.02Å; F428-A448 HydrophobicContact CE1-CB 4.35Å; F428-A448 HydrophobicContact CZ-CB 3.75Å; F428-W450 HydrophobicContact CE2-CZ3 4.34Å; F428-L459 HydrophobicContact CE1-CD1 4.4Å; F428-L459 HydrophobicContact CE1-CD2 4.18Å; F428-L459 HydrophobicContact CE2-CD1 4.22Å; F428-L459 HydrophobicContact CZ-CD1 4.01Å; F428-L459 HydrophobicContact CZ-CD2 4.24Å
429	L	97.8	Very high	94.6	Very high	59 Å²	59	67.7 Å²	67.7	31%	0.309	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	142.2	169.1	-67	173.7	0	0	0	109.6	G347 S431 E437 R438	G347-L429 WeakPolarHBondContact CA-O 3.38Å; G347-L429 PolarHBondContact N-O 3.01Å; G347-L429 VanDerWaalsContact N-O 3.13Å; L429-S431 VanDerWaalsContact C-N 3.3Å; L429-S431 PolarHBondContact O-N 3.49Å; L429-E437 CarbonylContact C-O 3.37Å; L429-E437 WeakPolarHBondContact CA-O 3.4Å; L429-R438 HydrophobicContact CD2-CB 4.02Å
430	T	97	Very high	94.5	Very high	7 Å²	7	66.8 Å²	66.8	4%	0.043	32%	0.323	C	S	.	.	S	Bend	trans	-76.2	-16.7	179.1	55.8	0	0	0	0	113.8	E437 L439 W450	T430-E437 HydrophobicContact CG2-CB 4.03Å; T430-E437 PolarHBondContact N-O 3.2Å; T430-E437 WeakPolarHBondContact OG1-CB 3.49Å; T430-E437 PolarHBondContact OG1-N 3.18Å; T430-E437 VanDerWaalsContact OG1-N 3.17Å; T430-E437 PolarHBondContact OG1-O 3.06Å; T430-L439 HydrophobicContact CG2-CD1 3.54Å; T430-L439 HydrophobicContact CG2-CG 3.85Å; T430-W450 HydrophobicContact CG2-CB 4.13Å; T430-W450 HydrophobicContact CG2-CD2 3.8Å; T430-W450 HydrophobicContact CG2-CE3 4.39Å; T430-W450 HydrophobicContact CG2-CG 3.66Å
431	S	97.2	Very high	94.3	Very high	2 Å²	2	67.7 Å²	67.7	1%	0.014	33%	0.328	C	S	.	.			trans	-163.7	151.2	-173.4	171.1	0	0	0	0	111	D351 L429 F433 R452	D351-S431 PolarHBondContact OD1-OG 3.32Å; L429-S431 VanDerWaalsContact C-N 3.3Å; L429-S431 PolarHBondContact O-N 3.49Å; S431-F433 WeakPolarHBondContact CB-O 3.45Å; S431-F433 WeakPolarHBondContact OG-CA 3.21Å; S431-F433 PolarHBondContact OG-N 2.92Å; S431-F433 PolarHBondContact OG-O 2.91Å; S431-R452 PolarHBondContact OG-NH1 3.17Å
432	H	95.3	Very high	94.1	Very high	52 Å²	52	70.6 Å²	70.6	24%	0.241	34%	0.34	C	S	.	.	S	Bend	trans	-92.3	-9.1	165	-78.6	-107.4	0	0	0	112.5	D345 R348 D351 R436	D345-H432 IonicContact OD1-CD2 3.52Å; D345-H432 PolarHBondContact OD1-CD2 3.45Å; D345-H432 IonicContact OD1-CE1 3.53Å; D345-H432 IonicContact OD1-NE2 2.73Å; D345-H432 PolarHBondContact OD1-NE2 3.38Å; D345-H432 IonicContact OD2-NE2 2.63Å; R348-H432 VanDerWaalsContact CG-CD2 3.5Å; R348-H432 WeakPolarHBondContact CG-CD2 3.45Å; D351-H432 PolarHBondContact OD2-N 2.95Å; H432-R436 VanDerWaalsContact O-CZ 3.22Å; H432-R436 PolarHBondContact O-NE 2.9Å; H432-R436 PolarHBondContact O-NH2 3.45Å
433	F	92.3	Very high	94	Very high	99 Å²	99	70.1 Å²	70.1	43%	0.434	34%	0.339	S	S	.	.	S	Bend	trans	-102.3	161.4	170	-53.8	-74.5	0	0	0	111.1	P333 H334 D351 S431 P435 R436	P333-F433 HydrophobicContact CB-CE2 4.07Å; H334-F433 AromaticContact NE2-CE2 3.85Å; D351-F433 HydrophobicContact CB-CD2 4.12Å; D351-F433 HydrophobicContact CB-CE2 4.02Å; D351-F433 WeakPolarHBondContact OD1-CD2 3.22Å; D351-F433 WeakPolarHBondContact OD2-CD2 3.36Å; D351-F433 WeakPolarHBondContact OD2-CE2 3.39Å; S431-F433 WeakPolarHBondContact CB-O 3.45Å; S431-F433 WeakPolarHBondContact OG-CA 3.21Å; S431-F433 PolarHBondContact OG-N 2.92Å; S431-F433 PolarHBondContact OG-O 2.91Å; F433-P435 CarbonylContact O-C 3.43Å; F433-R436 WeakPolarHBondContact O-CG 3.38Å
434	E	84.2	Confident	93.9	Very high	141 Å²	141	72.2 Å²	72.2	66%	0.659	35%	0.349	S	S	*	.	S	Bend	trans	-72.3	141.1	173	-67.8	-59.8	155.6	0	0	110.9	R436	E434-R436 IonicContact OE1-NE 3.8Å; E434-R436 PolarHBondContact OE2-N 3.44Å
435	P	87.3	Confident	93.9	Very high	93 Å²	93	77.5 Å²	77.5	60%	0.604	37%	0.372	S	S	*	.	S	Bend	cis	-79	134.5	1.2	31.8	-33.7	0	0	0	112.9	F433	F433-P435 CarbonylContact O-C 3.43Å
436	R	90.4	Very high	94	Very high	141 Å²	141	75.3 Å²	75.3	53%	0.532	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-98.7	118.8	174.4	-61.2	179	179	166.9	0.6	111	H432 F433 E434	H432-R436 VanDerWaalsContact O-CZ 3.22Å; H432-R436 PolarHBondContact O-NE 2.9Å; H432-R436 PolarHBondContact O-NH2 3.45Å; F433-R436 WeakPolarHBondContact O-CG 3.38Å; E434-R436 IonicContact OE1-NE 3.8Å; E434-R436 PolarHBondContact OE2-N 3.44Å
437	E	94.8	Very high	94.3	Very high	98 Å²	98	72.8 Å²	72.8	46%	0.458	35%	0.346	S	S	.	.			trans	-112.8	140.4	173.1	-173.3	175.3	-171.5	0	0	110.1	L429 T430 L439	L429-E437 CarbonylContact C-O 3.37Å; L429-E437 WeakPolarHBondContact CA-O 3.4Å; T430-E437 HydrophobicContact CG2-CB 4.03Å; T430-E437 PolarHBondContact N-O 3.2Å; T430-E437 WeakPolarHBondContact OG1-CB 3.49Å; T430-E437 PolarHBondContact OG1-N 3.18Å; T430-E437 VanDerWaalsContact OG1-N 3.17Å; T430-E437 PolarHBondContact OG1-O 3.06Å; E437-L439 HydrophobicContact CG-CD2 3.92Å; E437-L439 HydrophobicContact CG-CG 4.28Å; E437-L439 WeakPolarHBondContact OE1-CD2 3.38Å
438	R	96.7	Very high	94.3	Very high	169 Å²	169	68 Å²	68	64%	0.638	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.5	124.3	171.5	-177.7	180	-64.2	-144	0.8	109	E427 F428 L429	E427-R438 IonicContact OE2-NH1 3.97Å; E427-R438 PolarHBondContact OE2-NH1 3.24Å; F428-R438 WeakPolarHBondContact O-CA 3.4Å; L429-R438 HydrophobicContact CD2-CB 4.02Å
439	L	96.6	Very high	94.4	Very high	28 Å²	28	70.9 Å²	70.9	15%	0.147	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	155.8	177.3	-62.3	-178.3	0	0	0	111.1	E427 F428 T430 E437 A448 W450	E427-L439 WeakPolarHBondContact CA-O 3.46Å; F428-L439 HydrophobicContact CE1-CB 4.41Å; F428-L439 HydrophobicContact CE2-CB 3.96Å; F428-L439 HydrophobicContact CE2-CD1 4.15Å; F428-L439 HydrophobicContact CZ-CB 3.89Å; F428-L439 HydrophobicContact CZ-CD1 4.3Å; F428-L439 PolarHBondContact N-O 3.35Å; F428-L439 PolarHBondContact O-N 2.93Å; T430-L439 HydrophobicContact CG2-CD1 3.54Å; T430-L439 HydrophobicContact CG2-CG 3.85Å; E437-L439 HydrophobicContact CG-CD2 3.92Å; E437-L439 HydrophobicContact CG-CG 4.28Å; E437-L439 WeakPolarHBondContact OE1-CD2 3.38Å; L439-A448 HydrophobicContact CD1-CB 4.44Å; L439-W450 HydrophobicContact CD1-CB 4.08Å; L439-W450 HydrophobicContact CD1-CD2 4.39Å; L439-W450 HydrophobicContact CD1-CE3 4Å; L439-W450 HydrophobicContact CD1-CG 4.47Å
440	S	93.8	Very high	94.3	Very high	67 Å²	67	68.8 Å²	68.8	47%	0.469	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	134.6	175.5	-53.5	0	0	0	0	110.1	L426	L426-S440 CarbonylContact O-C 3.53Å; L426-S440 WeakPolarHBondContact O-CA 3.49Å
441	L	91.8	Very high	94.3	Very high	19 Å²	19	77 Å²	77	10%	0.099	36%	0.363	C	S	.	.			trans	-73.1	127.9	174	-74.2	175	0	0	0	110.5	A424 P425 L426 F428 A448 L459 P461	A424-L441 HydrophobicContact CB-CD1 4.09Å; P425-L441 WeakPolarHBondContact O-CD1 3.45Å; L426-L441 PolarHBondContact O-N 2.89Å; F428-L441 HydrophobicContact CE1-CD2 4.23Å; F428-L441 HydrophobicContact CE1-CG 4.02Å; L441-A448 HydrophobicContact CD2-CB 4.14Å; L441-L459 HydrophobicContact CD1-CD2 4.48Å; L441-L459 HydrophobicContact CD2-CD2 3.88Å; L441-P461 HydrophobicContact CD1-CB 4.17Å; L441-P461 HydrophobicContact CD1-CG 4.24Å
442	K	93.3	Very high	94.2	Very high	124 Å²	124	79.6 Å²	79.6	54%	0.539	37%	0.372	S	S	.	.	B	Isolated β-bridge	trans	-101.5	120	172.4	-63.4	179.6	-174.3	173	0	108.9	E444 E445 P446	K442-E444 VanDerWaalsContact C-N 3.27Å; K442-E444 PolarHBondContact O-N 3.45Å; K442-E445 HydrophobicContact CB-CB 4.33Å; K442-E445 CarbonylContact O-C 3.47Å; K442-E445 PolarHBondContact O-N 3.38Å; K442-E445 VanDerWaalsContact O-N 3.14Å; K442-P446 WeakPolarHBondContact O-CA 3.4Å
443	P	93.8	Very high	94	Very high	20 Å²	20	80.8 Å²	80.8	13%	0.13	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-35	-177	-27	35.4	0	0	0	114.6	L48 A51 I52 E445	L48-P443 HydrophobicContact CB-CG 4.44Å; L48-P443 HydrophobicContact CD2-CB 4.39Å; L48-P443 HydrophobicContact CD2-CG 3.42Å; L48-P443 VanDerWaalsContact CD2-CG 3.42Å; L48-P443 HydrophobicContact CG-CG 4.5Å; A51-P443 CarbonylContact C-O 3.59Å; A51-P443 HydrophobicContact CB-CB 3.56Å; I52-P443 WeakPolarHBondContact CA-O 3.38Å; I52-P443 HydrophobicContact CG1-CB 4.03Å; I52-P443 PolarHBondContact N-O 3.5Å; P443-E445 VanDerWaalsContact C-N 3.34Å
444	E	94.8	Very high	94.1	Very high	128 Å²	128	78.7 Å²	78.7	60%	0.598	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-18.6	-178.6	-56.7	76.1	-166.4	0	0	113	A55 K442	A55-E444 WeakPolarHBondContact CB-O 3.41Å; K442-E444 VanDerWaalsContact C-N 3.27Å; K442-E444 PolarHBondContact O-N 3.45Å
445	E	94.8	Very high	94.7	Very high	123 Å²	123	72 Å²	72	58%	0.575	36%	0.361	S	S	*	.	B	Isolated β-bridge	trans	-131	69.8	174.8	-67.7	175.7	-115.9	0	0	108	K442 P443 V447	K442-E445 HydrophobicContact CB-CB 4.33Å; K442-E445 CarbonylContact O-C 3.47Å; K442-E445 PolarHBondContact O-N 3.38Å; K442-E445 VanDerWaalsContact O-N 3.14Å; P443-E445 VanDerWaalsContact C-N 3.34Å; E445-V447 PolarHBondContact O-N 3.23Å
446	P	95.9	Very high	95.3	Very high	2 Å²	2	68 Å²	68	1%	0.013	34%	0.335	C	S	.	.			trans	-76.4	24.1	-163.4	33.8	-38.8	0	0	0	113.7	I52 A55 M399 K442 T460 P461	I52-P446 HydrophobicContact CG1-CB 4.2Å; I52-P446 HydrophobicContact CG2-CB 4.09Å; I52-P446 HydrophobicContact CG2-CG 4.48Å; A55-P446 HydrophobicContact CB-CG 3.85Å; M399-P446 HydrophobicContact SD-CG 3.99Å; K442-P446 WeakPolarHBondContact O-CA 3.4Å; P446-T460 VanDerWaalsContact O-CA 3.3Å; P446-T460 WeakPolarHBondContact O-CA 3.39Å; P446-T460 VanDerWaalsContact O-CB 3.31Å; P446-T460 WeakPolarHBondContact O-CB 3.33Å; P446-T460 PolarHBondContact O-OG1 3.23Å; P446-P461 VanDerWaalsContact O-CD 3.29Å; P446-P461 WeakPolarHBondContact O-CD 3.32Å
447	V	97.9	Very high	95.7	Very high	28 Å²	28	61.3 Å²	61.3	17%	0.17	31%	0.309	C	S	.	.			trans	-120.6	110.3	174.7	-173.7	0	0	0	0	109.4	A395 V398 M399 E445 V449 H458 L459	A395-V447 HydrophobicContact CB-CG1 4.18Å; A395-V447 HydrophobicContact CB-CG2 4.42Å; V398-V447 HydrophobicContact CG1-CG1 4.33Å; V398-V447 HydrophobicContact CG1-CG2 4.49Å; M399-V447 HydrophobicContact CE-CG2 4.02Å; M399-V447 HydrophobicContact CG-CG2 3.38Å; M399-V447 HydrophobicContact SD-CG2 3.47Å; M399-V447 WeakPolarHBondContact SD-CG2 3.45Å; E445-V447 PolarHBondContact O-N 3.23Å; V447-V449 HydrophobicContact CG1-CG2 3.9Å; V447-H458 HydrophobicContact CG1-CB 4.09Å; V447-L459 CarbonylContact C-O 3.58Å; V447-L459 VanDerWaalsContact CA-O 3.28Å; V447-L459 WeakPolarHBondContact CA-O 3.29Å
448	A	97.9	Very high	95.9	Very high	13 Å²	13	57.9 Å²	57.9	11%	0.107	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	132.2	167.3	0	0	0	0	0	109.6	F428 L439 L441 L459	F428-A448 HydrophobicContact CE1-CB 4.35Å; F428-A448 HydrophobicContact CZ-CB 3.75Å; L439-A448 HydrophobicContact CD1-CB 4.44Å; L441-A448 HydrophobicContact CD2-CB 4.14Å; A448-L459 PolarHBondContact N-O 3.01Å; A448-L459 PolarHBondContact O-N 2.79Å
449	V	97.8	Very high	95.9	Very high	76 Å²	76	49.9 Å²	49.9	46%	0.461	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	132	-178.7	-175.1	0	0	0	0	109.8	V447 T456 F457	V447-V449 HydrophobicContact CG1-CG2 3.9Å; V449-T456 HydrophobicContact CG1-CG2 3.69Å; V449-F457 VanDerWaalsContact CA-O 3.32Å; V449-F457 WeakPolarHBondContact CA-O 3.32Å
450	W	97.6	Very high	96	Very high	14 Å²	14	48.6 Å²	48.6	5%	0.053	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	165.5	171.1	71.4	100	0	0	0	111.2	V346 I383 F428 T430 L439 F457 L459	V346-W450 HydrophobicContact CG1-CH2 4.36Å; I383-W450 HydrophobicContact CD1-CH2 4.14Å; I383-W450 HydrophobicContact CG2-CH2 4.4Å; F428-W450 HydrophobicContact CE2-CZ3 4.34Å; T430-W450 HydrophobicContact CG2-CB 4.13Å; T430-W450 HydrophobicContact CG2-CD2 3.8Å; T430-W450 HydrophobicContact CG2-CE3 4.39Å; T430-W450 HydrophobicContact CG2-CG 3.66Å; L439-W450 HydrophobicContact CD1-CB 4.08Å; L439-W450 HydrophobicContact CD1-CD2 4.39Å; L439-W450 HydrophobicContact CD1-CE3 4Å; L439-W450 HydrophobicContact CD1-CG 4.47Å; W450-F457 AromaticContact CD1-CD2 3.9Å; W450-F457 HydrophobicContact CD2-CB 3.58Å; W450-F457 HydrophobicContact CD2-CG 4.21Å; W450-F457 AromaticContact CE2-CD2 3.88Å; W450-F457 AromaticContact CE2-CG 3.49Å; W450-F457 VanDerWaalsContact CE2-CG 3.49Å; W450-F457 HydrophobicContact CE3-CB 3.83Å; W450-F457 HydrophobicContact CG-CB 4.27Å; W450-F457 HydrophobicContact CH2-CB 3.59Å; W450-F457 HydrophobicContact CH2-CD1 4.43Å; W450-F457 HydrophobicContact CH2-CG 4.27Å; W450-F457 HydrophobicContact CZ2-CB 3.32Å; W450-F457 AromaticContact CZ2-CD1 3.7Å; W450-F457 HydrophobicContact CZ2-CD1 3.7Å; W450-F457 HydrophobicContact CZ2-CD2 4.34Å; W450-F457 AromaticContact CZ2-CG 3.54Å; W450-F457 HydrophobicContact CZ2-CG 3.54Å; W450-F457 HydrophobicContact CZ3-CB 3.83Å; W450-F457 PolarHBondContact N-O 3.43Å; W450-F457 AromaticContact NE1-CD2 3.45Å; W450-F457 AromaticContact NE1-CG 3.57Å; W450-F457 PolarHBondContact O-N 2.87Å; W450-L459 HydrophobicContact CH2-CB 3.98Å; W450-L459 HydrophobicContact CH2-CD1 4.17Å; W450-L459 HydrophobicContact CZ3-CB 3.63Å; W450-L459 HydrophobicContact CZ3-CD1 4.36Å
451	R	96.4	Very high	96.3	Very high	181 Å²	181	45.4 Å²	45.4	68%	0.683	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-125	144.2	-179.8	-67.9	-169.7	175.8	139	0.1	111.6	V455 T456	R451-V455 WeakPolarHBondContact CA-O 3.43Å; R451-T456 HydrophobicContact CG-CG2 4.26Å; R451-T456 WeakPolarHBondContact CG-OG1 3.17Å; R451-T456 PolarHBondContact NE-OG1 3.4Å; R451-T456 VanDerWaalsContact NE-OG1 3.15Å
452	R	94.1	Very high	96.6	Very high	56 Å²	56	44.8 Å²	44.8	21%	0.211	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	113.4	170.5	-178.3	174.6	167.6	166.8	-3.4	108.6	D351 S354 S431 N454 V455 F457	D351-R452 IonicContact OD1-NH1 2.88Å; D351-R452 PolarHBondContact OD1-NH1 2.99Å; S354-R452 WeakPolarHBondContact OG-CD 3.44Å; S354-R452 PolarHBondContact OG-NE 2.91Å; S431-R452 PolarHBondContact OG-NH1 3.17Å; R452-N454 PolarHBondContact O-N 3.01Å; R452-V455 PolarHBondContact N-O 2.97Å; R452-V455 PolarHBondContact O-N 3.49Å; R452-F457 HydrophobicContact CB-CE2 3.99Å
453	G	92.1	Very high	96.8	Very high	77 Å²	77	38.9 Å²	38.9	79%	0.794	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.5	-123.5	-170.2	0	0	0	0	0	110.5
454	N	94.2	Very high	96.9	Very high	54 Å²	54	38.5 Å²	38.5	29%	0.289	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	23.6	176.1	69.7	-35.8	0	0	0	113.3	T363 V387 D388 R452	T363-N454 VanDerWaalsContact CA-ND2 3.34Å; T363-N454 WeakPolarHBondContact CA-ND2 3.34Å; T363-N454 WeakPolarHBondContact CB-OD1 3.32Å; T363-N454 PolarHBondContact O-ND2 2.9Å; V387-N454 CarbonylContact C-O 3.6Å; V387-N454 WeakPolarHBondContact CA-O 3.43Å; D388-N454 WeakPolarHBondContact CB-O 3.38Å; D388-N454 PolarHBondContact N-O 3.4Å; R452-N454 PolarHBondContact O-N 3.01Å
455	V	97.5	Very high	96.9	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.012	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	125.5	174	-178.1	0	0	0	0	108.9	L357 T363 A385 T386 R451 R452 F457	L357-V455 HydrophobicContact CB-CG2 4.35Å; L357-V455 HydrophobicContact CD1-CB 4.44Å; L357-V455 HydrophobicContact CD1-CG1 3.57Å; L357-V455 HydrophobicContact CD1-CG2 3.93Å; T363-V455 HydrophobicContact CG2-CG2 3.82Å; A385-V455 HydrophobicContact CB-CG1 4.34Å; T386-V455 CarbonylContact O-C 3.58Å; T386-V455 WeakPolarHBondContact O-CA 3.47Å; R451-V455 WeakPolarHBondContact CA-O 3.43Å; R452-V455 PolarHBondContact N-O 2.97Å; R452-V455 PolarHBondContact O-N 3.49Å; V455-F457 HydrophobicContact CB-CE2 3.92Å; V455-F457 HydrophobicContact CB-CZ 4.36Å; V455-F457 HydrophobicContact CG1-CD2 4.05Å; V455-F457 HydrophobicContact CG1-CE1 4.36Å; V455-F457 HydrophobicContact CG1-CE2 3.47Å; V455-F457 VanDerWaalsContact CG1-CE2 3.47Å; V455-F457 HydrophobicContact CG1-CZ 3.65Å
456	T	98.4	Very high	96.8	Very high	8 Å²	8	30.2 Å²	30.2	5%	0.049	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	134.5	169.1	-61.5	0	0	0	0	109.8	T386 D388 V449 R451 H458	T386-T456 PolarHBondContact N-O 3.31Å; T386-T456 PolarHBondContact O-N 2.62Å; T386-T456 PolarHBondContact OG1-O 3.24Å; D388-T456 VanDerWaalsContact OD1-CB 3.32Å; D388-T456 WeakPolarHBondContact OD1-CB 3.42Å; D388-T456 PolarHBondContact OD1-N 2.88Å; D388-T456 PolarHBondContact OD1-OG1 3.14Å; V449-T456 HydrophobicContact CG1-CG2 3.69Å; R451-T456 HydrophobicContact CG-CG2 4.26Å; R451-T456 WeakPolarHBondContact CG-OG1 3.17Å; R451-T456 PolarHBondContact NE-OG1 3.4Å; R451-T456 VanDerWaalsContact NE-OG1 3.15Å; T456-H458 VanDerWaalsContact CG2-CE1 3.42Å; T456-H458 WeakPolarHBondContact CG2-CE1 3.45Å
457	F	98.8	Very high	96.6	Very high	1 Å²	1	40.2 Å²	40.2	0%	0.004	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	135.4	177.8	-62.3	-102.9	0	0	0	109.8	L353 I383 L384 A385 V449 W450 R452 V455	L353-F457 HydrophobicContact CB-CE1 3.96Å; L353-F457 HydrophobicContact CD1-CE1 4.48Å; I383-F457 HydrophobicContact CG2-CB 4.41Å; I383-F457 HydrophobicContact CG2-CD1 3.98Å; L384-F457 WeakPolarHBondContact O-CA 3.34Å; A385-F457 HydrophobicContact CB-CD1 3.68Å; A385-F457 HydrophobicContact CB-CE1 3.7Å; A385-F457 HydrophobicContact CB-CG 4.45Å; A385-F457 HydrophobicContact CB-CZ 4.48Å; V449-F457 VanDerWaalsContact CA-O 3.32Å; V449-F457 WeakPolarHBondContact CA-O 3.32Å; W450-F457 AromaticContact CD1-CD2 3.9Å; W450-F457 HydrophobicContact CD2-CB 3.58Å; W450-F457 HydrophobicContact CD2-CG 4.21Å; W450-F457 AromaticContact CE2-CD2 3.88Å; W450-F457 AromaticContact CE2-CG 3.49Å; W450-F457 VanDerWaalsContact CE2-CG 3.49Å; W450-F457 HydrophobicContact CE3-CB 3.83Å; W450-F457 HydrophobicContact CG-CB 4.27Å; W450-F457 HydrophobicContact CH2-CB 3.59Å; W450-F457 HydrophobicContact CH2-CD1 4.43Å; W450-F457 HydrophobicContact CH2-CG 4.27Å; W450-F457 HydrophobicContact CZ2-CB 3.32Å; W450-F457 AromaticContact CZ2-CD1 3.7Å; W450-F457 HydrophobicContact CZ2-CD1 3.7Å; W450-F457 HydrophobicContact CZ2-CD2 4.34Å; W450-F457 AromaticContact CZ2-CG 3.54Å; W450-F457 HydrophobicContact CZ2-CG 3.54Å; W450-F457 HydrophobicContact CZ3-CB 3.83Å; W450-F457 PolarHBondContact N-O 3.43Å; W450-F457 AromaticContact NE1-CD2 3.45Å; W450-F457 AromaticContact NE1-CG 3.57Å; W450-F457 PolarHBondContact O-N 2.87Å; R452-F457 HydrophobicContact CB-CE2 3.99Å; V455-F457 HydrophobicContact CB-CE2 3.92Å; V455-F457 HydrophobicContact CB-CZ 4.36Å; V455-F457 HydrophobicContact CG1-CD2 4.05Å; V455-F457 HydrophobicContact CG1-CE1 4.36Å; V455-F457 HydrophobicContact CG1-CE2 3.47Å; V455-F457 VanDerWaalsContact CG1-CE2 3.47Å; V455-F457 HydrophobicContact CG1-CZ 3.65Å
458	H	98.8	Very high	96	Very high	25 Å²	25	42.2 Å²	42.2	12%	0.116	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	115.8	174.5	-53.3	78.9	0	0	0	108.5	I383 L384 Q394 V398 V447 T456	I383-H458 CarbonylContact C-O 3.55Å; I383-H458 VanDerWaalsContact CA-O 3.3Å; I383-H458 WeakPolarHBondContact CA-O 3.36Å; L384-H458 HydrophobicContact CB-CB 4.37Å; L384-H458 PolarHBondContact N-O 3.07Å; L384-H458 PolarHBondContact O-N 2.86Å; L384-H458 PolarHBondContact O-ND1 3.12Å; Q394-H458 VanDerWaalsContact CB-CE1 3.48Å; Q394-H458 WeakPolarHBondContact CB-CE1 3.39Å; V398-H458 HydrophobicContact CG1-CB 3.99Å; V447-H458 HydrophobicContact CG1-CB 4.09Å; T456-H458 VanDerWaalsContact CG2-CE1 3.42Å; T456-H458 WeakPolarHBondContact CG2-CE1 3.45Å
459	L	98.7	Very high	95.4	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	131.3	179	-177.6	158.2	0	0	0	110.4	V346 Y381 H382 I383 F428 L441 V447 A448 W450	V346-L459 HydrophobicContact CB-CD1 4.29Å; V346-L459 HydrophobicContact CG1-CD1 3.4Å; V346-L459 VanDerWaalsContact CG1-CD1 3.4Å; V346-L459 HydrophobicContact CG2-CD1 3.85Å; Y381-L459 HydrophobicContact CD2-CD1 3.9Å; Y381-L459 HydrophobicContact CD2-CG 4.12Å; Y381-L459 HydrophobicContact CE2-CD1 4.28Å; Y381-L459 HydrophobicContact CG-CD1 4.47Å; H382-L459 VanDerWaalsContact O-CA 3.32Å; H382-L459 WeakPolarHBondContact O-CA 3.32Å; I383-L459 HydrophobicContact CD1-CD1 3.9Å; I383-L459 HydrophobicContact CG1-CB 4.08Å; I383-L459 HydrophobicContact CG1-CD1 3.83Å; I383-L459 HydrophobicContact CG1-CG 3.98Å; F428-L459 HydrophobicContact CE1-CD1 4.4Å; F428-L459 HydrophobicContact CE1-CD2 4.18Å; F428-L459 HydrophobicContact CE2-CD1 4.22Å; F428-L459 HydrophobicContact CZ-CD1 4.01Å; F428-L459 HydrophobicContact CZ-CD2 4.24Å; L441-L459 HydrophobicContact CD1-CD2 4.48Å; L441-L459 HydrophobicContact CD2-CD2 3.88Å; V447-L459 CarbonylContact C-O 3.58Å; V447-L459 VanDerWaalsContact CA-O 3.28Å; V447-L459 WeakPolarHBondContact CA-O 3.29Å; A448-L459 PolarHBondContact N-O 3.01Å; A448-L459 PolarHBondContact O-N 2.79Å; W450-L459 HydrophobicContact CH2-CB 3.98Å; W450-L459 HydrophobicContact CH2-CD1 4.17Å; W450-L459 HydrophobicContact CZ3-CB 3.63Å; W450-L459 HydrophobicContact CZ3-CD1 4.36Å
460	T	98.6	Very high	94.2	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	144.6	168.1	177	0	0	0	0	109.5	Y381 H382 V398 A402 P446	Y381-T460 WeakPolarHBondContact CA-O 3.44Å; Y381-T460 WeakPolarHBondContact CB-O 3.25Å; H382-T460 HydrophobicContact CB-CG2 4.48Å; H382-T460 PolarHBondContact N-O 2.71Å; H382-T460 PolarHBondContact O-N 2.7Å; V398-T460 HydrophobicContact CB-CG2 4.17Å; V398-T460 HydrophobicContact CG1-CG2 3.8Å; V398-T460 HydrophobicContact CG2-CG2 3.77Å; V398-T460 WeakPolarHBondContact O-CG2 3.48Å; A402-T460 HydrophobicContact CB-CG2 3.67Å; P446-T460 VanDerWaalsContact O-CA 3.3Å; P446-T460 WeakPolarHBondContact O-CA 3.39Å; P446-T460 VanDerWaalsContact O-CB 3.31Å; P446-T460 WeakPolarHBondContact O-CB 3.33Å; P446-T460 PolarHBondContact O-OG1 3.23Å
461	P	98.3	Very high	93.3	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.006	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	163.5	169.3	30.6	-35.7	0	0	0	111.2	I52 W56 A402 L422 A424 L441 P446	I52-P461 HydrophobicContact CD1-CG 3.93Å; I52-P461 HydrophobicContact CG2-CG 4.49Å; W56-P461 VanDerWaalsContact CZ2-O 3.3Å; W56-P461 WeakPolarHBondContact CZ2-O 3.46Å; A402-P461 WeakPolarHBondContact CB-O 3.36Å; L422-P461 HydrophobicContact CD1-CB 3.42Å; L422-P461 VanDerWaalsContact CD1-CB 3.42Å; L422-P461 HydrophobicContact CD1-CG 4.09Å; A424-P461 HydrophobicContact CB-CB 3.62Å; L441-P461 HydrophobicContact CD1-CB 4.17Å; L441-P461 HydrophobicContact CD1-CG 4.24Å; P446-P461 VanDerWaalsContact O-CD 3.29Å; P446-P461 WeakPolarHBondContact O-CD 3.32Å
462	V	98.1	Very high	92.6	Very high	6 Å²	6	47 Å²	47	4%	0.036	25%	0.25	C	C	.	.			trans	-106.2	137.9	166.3	177.5	0	0	0	0	108.6	L379 A380 H382 A402 A405 V464	L379-V462 WeakPolarHBondContact O-CB 3.36Å; A380-V462 PolarHBondContact O-N 2.81Å; H382-V462 VanDerWaalsContact CD2-CG2 3.5Å; H382-V462 WeakPolarHBondContact CD2-CG2 3.27Å; H382-V462 VanDerWaalsContact NE2-CG2 3.33Å; H382-V462 WeakPolarHBondContact NE2-CG2 3.35Å; A402-V462 HydrophobicContact CB-CG2 4.09Å; A405-V462 HydrophobicContact CB-CG1 4.02Å; V462-V464 HydrophobicContact CB-CG2 4.48Å; V462-V464 HydrophobicContact CG1-CG2 4.25Å; V462-V464 PolarHBondContact O-N 3.15Å
463	L	98.1	Very high	92.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	95.9	168.3	-59.2	-178	0	0	0	108.1	E49 I52 W56 S406 V415 V420 L422 C465	E49-L463 HydrophobicContact CB-CD2 4.1Å; E49-L463 HydrophobicContact CG-CD2 3.8Å; I52-L463 HydrophobicContact CB-CD1 4.36Å; I52-L463 HydrophobicContact CB-CD2 4.29Å; I52-L463 HydrophobicContact CD1-CD2 4.07Å; I52-L463 HydrophobicContact CG2-CD1 4.07Å; I52-L463 HydrophobicContact CG2-CD2 4.12Å; I52-L463 HydrophobicContact CG2-CG 4.1Å; W56-L463 HydrophobicContact CE3-CD1 4.31Å; W56-L463 HydrophobicContact CH2-CB 4.17Å; W56-L463 HydrophobicContact CH2-CD1 4.14Å; W56-L463 HydrophobicContact CH2-CG 3.7Å; W56-L463 HydrophobicContact CZ3-CB 4.22Å; W56-L463 HydrophobicContact CZ3-CD1 3.74Å; W56-L463 HydrophobicContact CZ3-CG 3.81Å; S406-L463 WeakPolarHBondContact CA-O 3.34Å; S406-L463 WeakPolarHBondContact CB-O 3.35Å; S406-L463 WeakPolarHBondContact OG-CB 3.1Å; S406-L463 PolarHBondContact OG-N 2.86Å; S406-L463 PolarHBondContact OG-O 3.03Å; V415-L463 HydrophobicContact CG1-CD1 4.07Å; V420-L463 HydrophobicContact CB-CB 3.87Å; V420-L463 HydrophobicContact CG1-CB 4.34Å; V420-L463 HydrophobicContact CG2-CB 3.81Å; V420-L463 HydrophobicContact CG2-CD1 4.31Å; L422-L463 HydrophobicContact CB-CD2 4.38Å; L422-L463 HydrophobicContact CD1-CD2 4.33Å; L463-C465 PolarHBondContact O-N 2.76Å
464	V	96.6	Very high	92.2	Very high	11 Å²	11	42.4 Å²	42.4	7%	0.067	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	127.8	-167.5	-175.7	0	0	0	0	110.6	L379 V420 E421 K423 V462 K466	L379-V464 HydrophobicContact CD1-CG1 3.71Å; L379-V464 HydrophobicContact CD1-CG2 4.48Å; L379-V464 HydrophobicContact CG-CG1 4.14Å; L379-V464 HydrophobicContact CG-CG2 4.32Å; L379-V464 WeakPolarHBondContact O-CG2 3.06Å; V420-V464 CarbonylContact C-O 3.54Å; V420-V464 WeakPolarHBondContact CA-O 3.46Å; E421-V464 HydrophobicContact CG-CB 4.41Å; E421-V464 PolarHBondContact N-O 3.42Å; E421-V464 PolarHBondContact O-N 2.55Å; K423-V464 HydrophobicContact CB-CG2 4.14Å; K423-V464 HydrophobicContact CD-CB 4.25Å; K423-V464 HydrophobicContact CD-CG1 4.35Å; K423-V464 HydrophobicContact CD-CG2 4.09Å; K423-V464 HydrophobicContact CG-CB 4.36Å; K423-V464 HydrophobicContact CG-CG2 4.03Å; V462-V464 HydrophobicContact CB-CG2 4.48Å; V462-V464 HydrophobicContact CG1-CG2 4.25Å; V462-V464 PolarHBondContact O-N 3.15Å; V464-K466 PolarHBondContact O-N 3.32Å
465	C	95.5	Very high	92.2	Very high	11 Å²	11	40.8 Å²	40.8	7%	0.074	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	122	175.5	-167.5	0	0	0	0	111.1	A409 C410 L463 R467	A409-C465 HydrophobicContact CB-CB 3.8Å; C410-C465 WeakPolarHBondContact CA-SG 3.41Å; C410-C465 HydrophobicContact CB-CB 4.12Å; C410-C465 WeakPolarHBondContact CB-SG 3.26Å; C410-C465 WeakPolarHBondContact SG-CB 3.5Å; C410-C465 CovalentContact SG-SG 2.04Å; C410-C465 PolarHBondContact SG-SG 2.87Å; L463-C465 PolarHBondContact O-N 2.76Å; C465-R467 VanDerWaalsContact C-N 3.28Å; C465-R467 PolarHBondContact O-N 3.02Å
466	K	91.9	Very high	92.2	Very high	66 Å²	66	41.2 Å²	41.2	29%	0.287	21%	0.211	S	C	.	.	S	Bend	trans	-65.1	-32.5	-179.2	-68.7	171	-179.3	150.4	0	112.8	S418 K419 V420 E421 V464	S418-K466 PolarHBondContact O-NZ 3.49Å; K419-K466 WeakPolarHBondContact O-CB 3.27Å; K419-K466 WeakPolarHBondContact O-CG 3.5Å; K419-K466 PolarHBondContact O-N 3.45Å; V420-K466 WeakPolarHBondContact O-CE 3.16Å; V420-K466 PolarHBondContact O-NZ 2.85Å; E421-K466 HydrophobicContact CB-CG 4.23Å; E421-K466 HydrophobicContact CG-CG 3.83Å; V464-K466 PolarHBondContact O-N 3.32Å
467	R	91	Very high	92.2	Very high	212 Å²	212	41 Å²	41	80%	0.8	21%	0.211	S	C	*	.	S	Bend	trans	-135.9	78.9	-177.3	-71.7	-173.9	-75.1	180	-4.5	108.8	C465	C465-R467 VanDerWaalsContact C-N 3.28Å; C465-R467 PolarHBondContact O-N 3.02Å
468	P	85.1	Confident	92.2	Very high	70 Å²	70	41.3 Å²	41.3	46%	0.455	21%	0.212	S	C	.	.			trans	-65.2	141.5	-177	26.6	-33.3	0	0	0	110.9	A409 T471	A409-P468 CarbonylContact O-C 3.56Å; A409-P468 VanDerWaalsContact O-CA 3.24Å; A409-P468 WeakPolarHBondContact O-CA 3.48Å; P468-T471 HydrophobicContact CB-CG2 3.64Å; P468-T471 HydrophobicContact CG-CG2 4.23Å
469	L	85.1	Confident	92.2	Very high	140 Å²	140	40.1 Å²	40.1	73%	0.733	21%	0.207	S	C	*	.	S	Bend	trans	-91.8	-36.5	172.3	-68.1	179.9	0	0	0	111.6	A409	A409-L469 PolarHBondContact O-N 3.26Å
470	R	73.8	Confident	92.2	Very high	85 Å²	85	40 Å²	40	32%	0.321	21%	0.206	S	C	.	.			trans	-153.5	125.7	179.5	-177.9	178.3	175.5	-179.6	1.8	109.8	V151 A409	V151-R470 PolarHBondContact O-NH2 3.33Å; A409-R470 WeakPolarHBondContact CA-O 3.5Å
471	T	78.6	Confident	92.2	Very high	82 Å²	82	40.5 Å²	40.5	50%	0.503	21%	0.209	S	C	.	.			trans	-120.7	-9.5	175.8	53.4	0	0	0	0	113.2	P468 G473 L474	P468-T471 HydrophobicContact CB-CG2 3.64Å; P468-T471 HydrophobicContact CG-CG2 4.23Å; T471-G473 PolarHBondContact O-N 3.45Å; T471-L474 VanDerWaalsContact O-CB 3.28Å; T471-L474 WeakPolarHBondContact O-CB 3.46Å; T471-L474 PolarHBondContact O-N 2.95Å
472	V	82.3	Confident	92.2	Very high	78 Å²	78	40.5 Å²	40.5	47%	0.473	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	129.3	171	-179	0	0	0	0	108.6	L474	V472-L474 VanDerWaalsContact C-N 3.35Å
473	G	86.4	Confident	92.2	Very high	10 Å²	10	40.2 Å²	40.2	10%	0.103	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	12	-177.1	0	0	0	0	0	115.5	T471 D476 A477	T471-G473 PolarHBondContact O-N 3.45Å; G473-D476 WeakPolarHBondContact CA-OD2 3.45Å; G473-A477 PolarHBondContact O-N 2.91Å
474	L	91.3	Very high	92.2	Very high	27 Å²	27	40.7 Å²	40.7	14%	0.141	21%	0.21	C	C	.	.	H	α-helix	trans	-70.4	-41.5	-178	-162.2	66.8	0	0	0	112	A405 Q408 A409 T471 V472 D476 A477 I478	A405-L474 HydrophobicContact CB-CD2 4.37Å; Q408-L474 HydrophobicContact CB-CD1 3.77Å; Q408-L474 HydrophobicContact CG-CD1 3.87Å; A409-L474 HydrophobicContact CB-CD1 4.46Å; A409-L474 HydrophobicContact CB-CD2 4.04Å; T471-L474 VanDerWaalsContact O-CB 3.28Å; T471-L474 WeakPolarHBondContact O-CB 3.46Å; T471-L474 PolarHBondContact O-N 2.95Å; V472-L474 VanDerWaalsContact C-N 3.35Å; L474-D476 VanDerWaalsContact C-N 3.34Å; L474-D476 PolarHBondContact O-N 3.16Å; L474-A477 PolarHBondContact O-N 2.85Å; L474-I478 HydrophobicContact CG-CD1 4.12Å; L474-I478 WeakPolarHBondContact O-CD1 3.41Å; L474-I478 WeakPolarHBondContact O-CG1 3.01Å; L474-I478 PolarHBondContact O-N 3.07Å
475	G	93.2	Very high	92.3	Very high	20 Å²	20	41.1 Å²	41.1	21%	0.206	21%	0.21	C	C	.	.	H	α-helix	trans	-57.5	-46	174.6	0	0	0	0	0	112.2	A477 I478 S479	G475-A477 VanDerWaalsContact C-N 3.35Å; G475-A477 PolarHBondContact O-N 3.12Å; G475-I478 WeakPolarHBondContact O-CB 3.36Å; G475-I478 PolarHBondContact O-N 2.57Å; G475-I478 VanDerWaalsContact O-N 3.1Å; G475-S479 PolarHBondContact O-N 3.18Å
476	D	97.6	Very high	92.5	Very high	10 Å²	10	40.6 Å²	40.6	5%	0.053	21%	0.206	C	C	.	.	H	α-helix	trans	-56.2	-47.3	176.1	-57.5	-50	0	0	0	112	N154 L157 I158 G473 L474 I478 S479 A480	N154-D476 WeakPolarHBondContact CA-OD1 3.37Å; N154-D476 VanDerWaalsContact CB-OD1 3.27Å; N154-D476 WeakPolarHBondContact CB-OD1 3.21Å; N154-D476 PolarHBondContact ND2-OD1 3.27Å; N154-D476 PolarHBondContact ND2-OD2 3.34Å; L157-D476 HydrophobicContact CB-CB 3.85Å; L157-D476 WeakPolarHBondContact CD1-OD2 2.81Å; I158-D476 HydrophobicContact CG1-CB 3.83Å; G473-D476 WeakPolarHBondContact CA-OD2 3.45Å; L474-D476 VanDerWaalsContact C-N 3.34Å; L474-D476 PolarHBondContact O-N 3.16Å; D476-I478 VanDerWaalsContact C-N 3.35Å; D476-I478 PolarHBondContact O-N 2.83Å; D476-S479 PolarHBondContact O-N 3.08Å; D476-A480 WeakPolarHBondContact O-CB 3.31Å; D476-A480 PolarHBondContact O-N 3.39Å
477	A	97.9	Very high	92.7	Very high	4 Å²	4	38.8 Å²	38.8	3%	0.033	20%	0.199	C	C	.	.	H	α-helix	trans	-66.6	-36	177.6	0	0	0	0	0	112.8	K161 V404 Q408 G473 L474 G475 E481	K161-A477 HydrophobicContact CD-CB 4.3Å; K161-A477 HydrophobicContact CG-CB 4.12Å; V404-A477 HydrophobicContact CG2-CB 4.37Å; Q408-A477 VanDerWaalsContact OE1-CB 3.29Å; G473-A477 PolarHBondContact O-N 2.91Å; L474-A477 PolarHBondContact O-N 2.85Å; G475-A477 VanDerWaalsContact C-N 3.35Å; G475-A477 PolarHBondContact O-N 3.12Å; A477-E481 WeakPolarHBondContact O-CB 3.4Å; A477-E481 WeakPolarHBondContact O-CG 3.48Å; A477-E481 PolarHBondContact O-N 3.02Å
478	I	98.7	Very high	92.8	Very high	8 Å²	8	31 Å²	31	4%	0.041	17%	0.173	C	C	.	.	H	α-helix	trans	-63.2	-48.5	175.1	-69.2	159.9	0	0	0	110.4	H375 H377 H382 V404 A405 L474 G475 D476 E481 G482	H375-I478 PolarHBondContact CE1-O 3.29Å; H377-I478 HydrophobicContact CB-CD1 4.34Å; H377-I478 HydrophobicContact CB-CG2 3.8Å; H382-I478 WeakPolarHBondContact CE1-CG2 3.23Å; V404-I478 HydrophobicContact CG1-CB 4.49Å; V404-I478 HydrophobicContact CG1-CG1 4.02Å; A405-I478 HydrophobicContact CB-CD1 3.69Å; A405-I478 HydrophobicContact CB-CG1 3.87Å; L474-I478 HydrophobicContact CG-CD1 4.12Å; L474-I478 WeakPolarHBondContact O-CD1 3.41Å; L474-I478 WeakPolarHBondContact O-CG1 3.01Å; L474-I478 PolarHBondContact O-N 3.07Å; G475-I478 WeakPolarHBondContact O-CB 3.36Å; G475-I478 PolarHBondContact O-N 2.57Å; G475-I478 VanDerWaalsContact O-N 3.1Å; D476-I478 VanDerWaalsContact C-N 3.35Å; D476-I478 PolarHBondContact O-N 2.83Å; I478-E481 PolarHBondContact O-N 3.03Å; I478-G482 PolarHBondContact O-N 3.05Å
479	S	98.8	Very high	93.1	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-63.7	-44.6	179.1	-78	0	0	0	0	112.1	E292 G475 D476 E481 G482 L483	E292-S479 VanDerWaalsContact CD-OG 3.3Å; E292-S479 PolarHBondContact OE1-OG 2.68Å; E292-S479 WeakPolarHBondContact OE2-CB 3.46Å; E292-S479 PolarHBondContact OE2-OG 2.85Å; G475-S479 PolarHBondContact O-N 3.18Å; D476-S479 PolarHBondContact O-N 3.08Å; S479-E481 PolarHBondContact O-N 2.89Å; S479-G482 PolarHBondContact O-N 2.88Å; S479-L483 WeakPolarHBondContact O-CG 3.41Å; S479-L483 PolarHBondContact O-N 3.27Å
480	A	98.8	Very high	92.6	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-57.4	-49.9	174.7	0	0	0	0	0	111.8	I158 K161 F162 D476 G482 L483 V484	I158-A480 HydrophobicContact CG2-CB 4.13Å; K161-A480 HydrophobicContact CB-CB 3.82Å; K161-A480 HydrophobicContact CG-CB 3.74Å; F162-A480 HydrophobicContact CD1-CB 4.26Å; F162-A480 HydrophobicContact CE1-CB 4.01Å; F162-A480 VanDerWaalsContact CE1-O 3.29Å; F162-A480 WeakPolarHBondContact CE1-O 3.35Å; F162-A480 HydrophobicContact CE2-CB 4.42Å; F162-A480 HydrophobicContact CZ-CB 4.1Å; D476-A480 WeakPolarHBondContact O-CB 3.31Å; D476-A480 PolarHBondContact O-N 3.39Å; A480-G482 PolarHBondContact O-N 3.19Å; A480-L483 WeakPolarHBondContact O-CB 3.19Å; A480-L483 PolarHBondContact O-N 3.29Å; A480-L483 VanDerWaalsContact O-N 3.07Å; A480-V484 WeakPolarHBondContact O-CG2 3.22Å; A480-V484 PolarHBondContact O-N 3.3Å
481	E	98.7	Very high	92.1	Very high	10 Å²	10	35.3 Å²	35.3	5%	0.047	18%	0.18	C	C	.	.	H	α-helix	trans	-61.2	-44	176.3	-76.1	-78	-169.4	0	0	112	K161 Y165 V404 A477 I478 S479 L483 V484 Y485	K161-E481 HydrophobicContact CD-CG 4.49Å; K161-E481 WeakPolarHBondContact CE-OE1 3.49Å; K161-E481 HydrophobicContact CG-CG 4.37Å; K161-E481 IonicContact NZ-OE1 3.97Å; K161-E481 PolarHBondContact NZ-OE1 3.43Å; Y165-E481 VanDerWaalsContact OH-CD 3.25Å; Y165-E481 PolarHBondContact OH-OE1 3.49Å; Y165-E481 PolarHBondContact OH-OE2 3Å; V404-E481 HydrophobicContact CB-CB 4.49Å; V404-E481 HydrophobicContact CB-CG 3.82Å; V404-E481 HydrophobicContact CG1-CB 3.9Å; V404-E481 HydrophobicContact CG1-CG 3.66Å; V404-E481 HydrophobicContact CG2-CG 4.08Å; A477-E481 WeakPolarHBondContact O-CB 3.4Å; A477-E481 WeakPolarHBondContact O-CG 3.48Å; A477-E481 PolarHBondContact O-N 3.02Å; I478-E481 PolarHBondContact O-N 3.03Å; S479-E481 PolarHBondContact O-N 2.89Å; E481-L483 PolarHBondContact O-N 3.45Å; E481-V484 PolarHBondContact O-N 2.86Å; E481-Y485 VanDerWaalsContact O-CD2 3.3Å; E481-Y485 WeakPolarHBondContact O-CD2 3.34Å; E481-Y485 PolarHBondContact O-N 3.01Å; E481-Y485 WeakPolarHBondContact OE2-CE2 3.5Å
482	G	98.8	Very high	90.3	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.5	-29.2	174.8	0	0	0	0	0	113.3	R373 I478 S479 A480 S486	R373-G482 PolarHBondContact NH2-O 3.31Å; I478-G482 PolarHBondContact O-N 3.05Å; S479-G482 PolarHBondContact O-N 2.88Å; A480-G482 PolarHBondContact O-N 3.19Å; G482-S486 WeakPolarHBondContact O-CB 3.43Å; G482-S486 PolarHBondContact O-N 3.46Å; G482-S486 PolarHBondContact O-OG 2.81Å
483	L	98.8	Very high	88.1	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-80.3	-42.7	176.9	-72.7	163.9	0	0	0	112.3	W67 F162 L252 V254 H290 S479 A480 E481 Y485 S486	W67-L483 PolarHBondContact NE1-O 3.15Å; F162-L483 HydrophobicContact CE1-CB 4.13Å; F162-L483 HydrophobicContact CZ-CB 4Å; F162-L483 HydrophobicContact CZ-CD1 3.96Å; L252-L483 HydrophobicContact CD1-CD2 4.38Å; L252-L483 HydrophobicContact CD2-CB 4.06Å; L252-L483 HydrophobicContact CD2-CD1 4.33Å; L252-L483 HydrophobicContact CD2-CD2 4.24Å; L252-L483 HydrophobicContact CD2-CG 4.44Å; V254-L483 HydrophobicContact CG2-CD1 3.91Å; H290-L483 HydrophobicContact CB-CD1 3.93Å; H290-L483 HydrophobicContact CB-CD2 4.1Å; S479-L483 WeakPolarHBondContact O-CG 3.41Å; S479-L483 PolarHBondContact O-N 3.27Å; A480-L483 WeakPolarHBondContact O-CB 3.19Å; A480-L483 PolarHBondContact O-N 3.29Å; A480-L483 VanDerWaalsContact O-N 3.07Å; E481-L483 PolarHBondContact O-N 3.45Å; L483-Y485 PolarHBondContact O-N 3.23Å; L483-S486 PolarHBondContact O-N 3.41Å
484	V	98.6	Very high	85.6	Confident	10 Å²	10	54 Å²	54	6%	0.061	26%	0.261	C	S	.	.	H	α-helix	trans	-54.9	-40.9	175.9	173.4	0	0	0	0	111.2	L62 F162 Y165 L168 A480 E481	L62-V484 HydrophobicContact CD2-CG1 3.92Å; F162-V484 HydrophobicContact CD1-CG2 3.46Å; F162-V484 VanDerWaalsContact CD1-CG2 3.46Å; F162-V484 HydrophobicContact CE1-CG2 3.56Å; Y165-V484 HydrophobicContact CD1-CG1 4Å; Y165-V484 HydrophobicContact CD2-CG1 4.24Å; Y165-V484 HydrophobicContact CD2-CG2 3.93Å; Y165-V484 HydrophobicContact CE1-CG1 3.71Å; Y165-V484 HydrophobicContact CE2-CB 4.27Å; Y165-V484 HydrophobicContact CE2-CG1 3.96Å; Y165-V484 HydrophobicContact CE2-CG2 3.81Å; Y165-V484 HydrophobicContact CG-CG1 4.26Å; L168-V484 HydrophobicContact CD2-CG2 4.28Å; A480-V484 WeakPolarHBondContact O-CG2 3.22Å; A480-V484 PolarHBondContact O-N 3.3Å; E481-V484 PolarHBondContact O-N 2.86Å
485	Y	98.7	Very high	85.3	Confident	19 Å²	19	55.4 Å²	55.4	8%	0.075	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-5.6	-178.6	-75.7	-94.7	0	0	0	114	I60 A61 L62 Y165 N393 A400 R403 E481 L483	I60-Y485 HydrophobicContact CG2-CD1 3.91Å; I60-Y485 HydrophobicContact CG2-CE1 3.29Å; A61-Y485 WeakPolarHBondContact O-CD1 3.46Å; L62-Y485 HydrophobicContact CD2-CD1 4.12Å; L62-Y485 HydrophobicContact CD2-CE1 3.84Å; L62-Y485 HydrophobicContact CD2-CE2 4.41Å; L62-Y485 HydrophobicContact CG-CE1 4.16Å; Y165-Y485 VanDerWaalsContact OH-CE2 3.22Å; Y165-Y485 WeakPolarHBondContact OH-CE2 3.19Å; N393-Y485 WeakPolarHBondContact CB-O 3.43Å; N393-Y485 PolarHBondContact ND2-O 2.67Å; A400-Y485 HydrophobicContact CB-CD1 4.21Å; A400-Y485 HydrophobicContact CB-CD2 3.37Å; A400-Y485 HydrophobicContact CB-CE1 4.42Å; A400-Y485 HydrophobicContact CB-CE2 3.59Å; A400-Y485 HydrophobicContact CB-CG 3.7Å; R403-Y485 PolarHBondContact NH2-OH 3.49Å; E481-Y485 VanDerWaalsContact O-CD2 3.3Å; E481-Y485 WeakPolarHBondContact O-CD2 3.34Å; E481-Y485 PolarHBondContact O-N 3.01Å; E481-Y485 WeakPolarHBondContact OE2-CE2 3.5Å; L483-Y485 PolarHBondContact O-N 3.23Å
486	S	98.4	Very high	84.9	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	27%	0.27	C	S	.	.			trans	-85.8	144.9	175.7	-90.2	0	0	0	0	111.3	W67 R373 Q394 G482 L483	W67-S486 PolarHBondContact NE1-O 3.25Å; R373-S486 PolarHBondContact NE-OG 3.13Å; R373-S486 PolarHBondContact NH2-OG 3.49Å; Q394-S486 PolarHBondContact OE1-OG 3.16Å; G482-S486 WeakPolarHBondContact O-CB 3.43Å; G482-S486 PolarHBondContact O-N 3.46Å; G482-S486 PolarHBondContact O-OG 2.81Å; L483-S486 PolarHBondContact O-N 3.41Å
487	E	95.5	Very high	84.2	Confident	28 Å²	28	59.8 Å²	59.8	13%	0.131	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	130.6	173.2	-171.7	170	168.3	0	0	110.5	P63 S64 R65 W391 G392	P63-E487 HydrophobicContact CB-CB 3.72Å; P63-E487 HydrophobicContact CB-CG 4.34Å; S64-E487 PolarHBondContact N-OE2 2.86Å; S64-E487 VanDerWaalsContact N-OE2 3.15Å; R65-E487 HydrophobicContact CB-CG 4.11Å; R65-E487 WeakPolarHBondContact CB-OE1 3.13Å; R65-E487 WeakPolarHBondContact CD-OE1 3.43Å; R65-E487 WeakPolarHBondContact CG-OE1 3.21Å; W391-E487 CarbonylContact C-O 3.52Å; W391-E487 WeakPolarHBondContact CA-O 3.1Å; G392-E487 PolarHBondContact N-O 2.82Å; G392-E487 PolarHBondContact O-N 3.11Å
488	L	93.8	Very high	83.3	Confident	50 Å²	50	63.1 Å²	63.1	26%	0.262	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	119.3	169	-169.5	77	0	0	0	110	W67 P288 W391	W67-L488 HydrophobicContact CH2-CB 3.72Å; P288-L488 HydrophobicContact CB-CD2 4.37Å; P288-L488 HydrophobicContact CG-CD2 4.1Å; W391-L488 HydrophobicContact CD2-CD1 4.26Å; W391-L488 HydrophobicContact CE3-CD1 4.41Å; W391-L488 HydrophobicContact CH2-CD1 4.15Å; W391-L488 HydrophobicContact CZ2-CD1 3.95Å; W391-L488 HydrophobicContact CZ3-CD1 4.36Å
489	M	90.6	Very high	82.4	Confident	89 Å²	89	66.6 Å²	66.6	44%	0.438	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-71.9	134.3	178.6	-63.3	-66.1	-72.9	0	0	109.6	G389 Y390 Q491	G389-M489 WeakPolarHBondContact O-CB 3.45Å; Y390-M489 WeakPolarHBondContact O-CB 3.13Å; Y390-M489 PolarHBondContact O-N 2.91Å; M489-Q491 PolarHBondContact O-N 3.34Å
490	R	75.7	Confident	81.3	Confident	184 Å²	184	71 Å²	71	69%	0.694	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-67.9	118	168.9	-77.4	176.5	-177.4	174.2	1.2	107.8	H492	R490-H492 PolarHBondContact O-N 2.66Å; R490-H492 VanDerWaalsContact O-N 3.16Å
491	Q	63.1	Low	80	Confident	111 Å²	111	76.1 Å²	76.1	52%	0.519	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-63.2	117.7	163.1	-63.6	-159	-21	0	0	107.5	Y390 M489 P493	Y390-Q491 PolarHBondContact OH-NE2 2.58Å; Y390-Q491 VanDerWaalsContact OH-NE2 3.15Å; M489-Q491 PolarHBondContact O-N 3.34Å; Q491-P493 WeakPolarHBondContact O-CD 3.36Å
492	H	41	Very low	78.6	Confident	160 Å²	160	81.2 Å²	81.2	74%	0.741	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-64.2	125.6	167.7	-75.1	-68.4	0	0	0	107.2	R490 F494	R490-H492 PolarHBondContact O-N 2.66Å; R490-H492 VanDerWaalsContact O-N 3.16Å; H492-F494 PolarHBondContact O-N 3.13Å; H492-F494 VanDerWaalsContact O-N 3.13Å
493	P	36.6	Very low	76.9	Confident	122 Å²	122	87.9 Å²	87.9	79%	0.792	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-60.3	120.8	166.8	25	-29.5	0	0	0	106.7	Q491	Q491-P493 WeakPolarHBondContact O-CD 3.36Å
494	F	32.5	Very low	74.9	Confident	281 Å²	281	95.8 Å²	95.8	100%	1.232	45%	0.45	S	S	*	.			trans	-61.4	0	175.2	-82.4	-80.6	0	0	0	111.6	H492	H492-F494 PolarHBondContact O-N 3.13Å; H492-F494 VanDerWaalsContact O-N 3.13Å

Retrieved 494 of 494 residues in 300.1 ms (Link to these results)

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