A0A096NT35_PAPAN Loading...

Phosphoribosyl pyrophosphate synthetase associated protein 1

Seems to play a negative regulatory role in 5-phosphoribose 1-diphosphate synthesis.

AlphaFold DB (A0A5F8AIK5), UniProt , Accession A0A096NT35, Species PAPAN (Papio anubis, Olive baboon), Gene PRPSAP1, Length 385 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	48.7	Very low	39.8	Very low	242 Å²	242	168.8 Å²	168.8	100%	1.192	88%	0.884	S	S	*	*				0	90.2	0	-78.2	-83.6	-172.5	0	0	110
2	P	41.5	Very low	39.3	Very low	126 Å²	126	164.8 Å²	164.8	82%	0.818	88%	0.881	S	S	*	*			trans	-129.1	147.8	151	29.9	-13	0	0	0	111.8
3	K	39.8	Very low	39.3	Very low	217 Å²	217	159.5 Å²	159.5	94%	0.943	87%	0.874	S	S	*	*	P	Polyproline II helix	trans	-70.9	127.3	-176.7	-72	175.8	174.6	177.5	0	111
4	K	41.2	Very low	39	Very low	209 Å²	209	156.6 Å²	156.6	91%	0.909	87%	0.871	S	S	*	*	P	Polyproline II helix	trans	-71.4	129.1	177.7	-94	179.2	174.1	178.7	0	111.4
5	L	36.5	Very low	38.6	Very low	156 Å²	156	154.1 Å²	154.1	82%	0.817	87%	0.869	S	S	*	*	P	Polyproline II helix	trans	-80.8	123.8	171.3	-162.1	74.1	0	0	0	108.9	L7	L5-L7 HydrophobicContact CD2-CD1 4.48Å
6	L	42.3	Very low	38.7	Very low	170 Å²	170	150.4 Å²	150.4	89%	0.89	86%	0.864	S	S	*	*			trans	-99.4	112	172.8	-96.1	151.3	0	0	0	108.7
7	L	37.2	Very low	38.4	Very low	149 Å²	149	153.6 Å²	153.6	78%	0.78	87%	0.865	S	S	*	*	P	Polyproline II helix	trans	-73.8	131.2	169.4	-95.9	82.8	0	0	0	110	L5	L5-L7 HydrophobicContact CD2-CD1 4.48Å
8	L	36.6	Very low	38.2	Very low	170 Å²	170	158.3 Å²	158.3	89%	0.89	87%	0.867	S	S	*	*	P	Polyproline II helix	trans	-97.6	132.6	161.1	-75.7	165.3	0	0	0	109.3
9	P	37.3	Very low	38.4	Very low	112 Å²	112	156.2 Å²	156.2	73%	0.727	86%	0.86	S	S	*	*	P	Polyproline II helix	trans	-93.6	159.7	162.2	33.4	-27	0	0	0	112.3
10	P	37.8	Very low	38.3	Very low	126 Å²	126	154.2 Å²	154.2	82%	0.818	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-95.1	168.8	-162.3	37.6	-34.5	0	0	0	115.2
11	L	38.8	Very low	38.5	Very low	180 Å²	180	158.5 Å²	158.5	94%	0.942	86%	0.857	S	S	*	*	P	Polyproline II helix	trans	-48.8	142.4	177	-71.4	141.2	0	0	0	115.3
12	S	33.8	Very low	38.1	Very low	120 Å²	120	151.5 Å²	151.5	84%	0.839	84%	0.838	S	S	*	*			trans	-128.7	131.6	155	73.4	0	0	0	0	111.3
13	A	38.8	Very low	38.1	Very low	97 Å²	97	156.6 Å²	156.6	80%	0.802	84%	0.841	S	S	*	*			trans	-76.9	144.8	-176.6	0	0	0	0	0	114
14	S	35.6	Very low	38.1	Very low	119 Å²	119	152.3 Å²	152.3	83%	0.832	84%	0.835	S	S	*	*				167.8	108.6	119.3	57.5	0	0	0	0	110.4
15	S	32.8	Very low	38.1	Very low	119 Å²	119	146.4 Å²	146.4	83%	0.832	83%	0.826	S	S	*	*			trans	-90.8	98.2	169.5	57.1	0	0	0	0	109
16	A	41.1	Very low	38.4	Very low	95 Å²	95	144.2 Å²	144.2	79%	0.785	82%	0.82	S	S	*	*			trans	-84.4	114.4	165.3	0	0	0	0	0	109.1	R18	A16-R18 PolarHBondContact O-N 3.19Å
17	F	33.7	Very low	38.5	Very low	204 Å²	204	141.6 Å²	141.6	90%	0.895	81%	0.814	S	S	*	*			trans	-57.5	113.3	172.4	-115.9	-102.6	0	0	0	109.9
18	R	34.6	Very low	38.5	Very low	238 Å²	238	140 Å²	140	90%	0.898	81%	0.812	S	S	*	*			trans	-98.1	102.5	175.9	-151.7	178.4	-169.3	-164.2	3.8	108.4	A16	A16-R18 PolarHBondContact O-N 3.19Å
19	V	41.2	Very low	38.8	Very low	119 Å²	119	136.5 Å²	136.5	72%	0.721	81%	0.808	S	S	*	*			trans	-64.3	130.8	172.8	-176	0	0	0	0	108.6	R21	V19-R21 PolarHBondContact O-N 3.14Å
20	P	36.9	Very low	38.9	Very low	115 Å²	115	138.9 Å²	138.9	75%	0.747	81%	0.811	S	S	*	*			trans	-68.9	125	178.9	-3	16.1	0	0	0	109.7	A22	P20-A22 PolarHBondContact O-N 3.33Å; P20-A22 VanDerWaalsContact O-N 3.14Å
21	R	41.5	Very low	38.7	Very low	246 Å²	246	140.3 Å²	140.3	93%	0.928	81%	0.812	S	S	*	*			trans	-65.9	110.7	167.4	-81.1	-176.8	174.2	-177.7	-2.5	108.4	V19 R23	V19-R21 PolarHBondContact O-N 3.14Å; R21-R23 PolarHBondContact O-N 3.47Å
22	A	40.8	Very low	38.7	Very low	95 Å²	95	136.6 Å²	136.6	79%	0.785	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-58.8	132.9	167.9	0	0	0	0	0	109.1	P20	P20-A22 PolarHBondContact O-N 3.33Å; P20-A22 VanDerWaalsContact O-N 3.14Å
23	R	41	Very low	38.8	Very low	233 Å²	233	134.6 Å²	134.6	88%	0.879	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-61.5	139.7	168.6	-62.2	-178.6	-156.5	-172.9	5.6	107.7	R21 A25	R21-R23 PolarHBondContact O-N 3.47Å; R23-A25 PolarHBondContact O-N 3.19Å
24	P	41.8	Very low	39.1	Very low	126 Å²	126	141.8 Å²	141.8	82%	0.818	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-57.8	126.6	172	24	-30.5	0	0	0	108.1
25	A	40.1	Very low	40	Very low	86 Å²	86	138.3 Å²	138.3	71%	0.711	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-58.8	139.1	172.9	0	0	0	0	0	108.3	R23	R23-A25 PolarHBondContact O-N 3.19Å
26	P	42	Very low	42.1	Very low	109 Å²	109	135.2 Å²	135.2	71%	0.708	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-55.1	145.3	169.2	24.6	-31.6	0	0	0	108.7
27	P	45.5	Very low	44.4	Very low	115 Å²	115	132.2 Å²	132.2	75%	0.747	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-52.6	138	176.9	22.8	-31.9	0	0	0	108.6	A29	P27-A29 PolarHBondContact O-N 2.85Å
28	P	37.3	Very low	47.3	Very low	115 Å²	115	125.9 Å²	125.9	75%	0.747	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-55.5	123	-180	22.6	-31.1	0	0	0	107.7	M30	P28-M30 PolarHBondContact O-N 3.06Å
29	A	41.8	Very low	50.2	Low	98 Å²	98	114.6 Å²	114.6	81%	0.81	66%	0.662	S	S	*	*			trans	-56.7	105.5	171	0	0	0	0	0	106.6	P27 N31	P27-A29 PolarHBondContact O-N 2.85Å; A29-N31 PolarHBondContact O-N 3.05Å
30	M	40.9	Very low	52.9	Low	161 Å²	161	108.9 Å²	108.9	79%	0.793	63%	0.627	S	S	*	*			trans	-59.5	117.1	176.2	-77	-173.3	62.4	0	0	107	P28 A32	P28-M30 PolarHBondContact O-N 3.06Å; M30-A32 PolarHBondContact O-N 3.07Å
31	N	33.8	Very low	55.8	Low	156 Å²	156	103.9 Å²	103.9	83%	0.834	60%	0.595	S	S	*	*			trans	-50.5	117.3	168.5	-92.7	-32.4	0	0	0	108	A29 A33	A29-N31 PolarHBondContact O-N 3.05Å; N31-A33 PolarHBondContact O-N 2.84Å
32	A	36.8	Very low	58.4	Low	102 Å²	102	92.2 Å²	92.2	84%	0.843	55%	0.551	S	S	*	*			trans	-70.3	49.2	174.5	0	0	0	0	0	111.6	M30 R34	M30-A32 PolarHBondContact O-N 3.07Å; A32-R34 PolarHBondContact O-N 2.77Å; A32-R34 VanDerWaalsContact O-N 3.12Å
33	A	37.8	Very low	61	Low	79 Å²	79	88.1 Å²	88.1	65%	0.653	52%	0.516	S	S	*	.			trans	-66.1	105.9	155.7	0	0	0	0	0	105.4	N31 T35	N31-A33 PolarHBondContact O-N 2.84Å; A33-T35 PolarHBondContact O-N 3.12Å
34	R	45.1	Very low	63.4	Low	247 Å²	247	79.6 Å²	79.6	93%	0.932	49%	0.492	S	S	*	.			trans	-32.3	102.9	177.6	-80.1	175.1	150.8	170.7	-5.8	110.4	A32 G36	A32-R34 PolarHBondContact O-N 2.77Å; A32-R34 VanDerWaalsContact O-N 3.12Å; R34-G36 PolarHBondContact O-N 3.41Å
35	T	54.5	Low	65.7	Low	46 Å²	46	77.2 Å²	77.2	28%	0.282	48%	0.475	S	S	.	.			trans	-56.9	133.6	177.9	53.8	0	0	0	0	108.2	A33 Y37 G60	A33-T35 PolarHBondContact O-N 3.12Å; T35-Y37 VanDerWaalsContact CB-CD2 3.42Å; T35-Y37 HydrophobicContact CG2-CD2 4.23Å; T35-Y37 HydrophobicContact CG2-CE2 4.14Å; T35-Y37 PolarHBondContact O-N 3.38Å; T35-G60 PolarHBondContact OG1-O 2.76Å
36	G	76.9	Confident	67.9	Low	54 Å²	54	76.5 Å²	76.5	56%	0.557	47%	0.469	S	S	*	.			trans	-66.8	10.6	-176.5	0	0	0	0	0	115.6	R34	R34-G36 PolarHBondContact O-N 3.41Å
37	Y	87.8	Confident	70	Confident	32 Å²	32	74.1 Å²	74.1	13%	0.125	46%	0.459	C	S	.	.			trans	-72.3	128	-179.3	-57.5	-60.6	0	0	0	111.2	T35 L59 A61 R366 H369	T35-Y37 VanDerWaalsContact CB-CD2 3.42Å; T35-Y37 HydrophobicContact CG2-CD2 4.23Å; T35-Y37 HydrophobicContact CG2-CE2 4.14Å; T35-Y37 PolarHBondContact O-N 3.38Å; Y37-L59 HydrophobicContact CD2-CB 4.2Å; Y37-L59 HydrophobicContact CE2-CD2 4.31Å; Y37-A61 HydrophobicContact CD2-CB 4.4Å; Y37-R366 WeakPolarHBondContact OH-CG 3.42Å; Y37-H369 HydrophobicContact CD1-CB 4.11Å; Y37-H369 AromaticContact CD1-CD2 3.75Å; Y37-H369 AromaticContact CD1-CG 3.74Å; Y37-H369 HydrophobicContact CE1-CB 3.65Å; Y37-H369 AromaticContact CE1-CD2 3.26Å; Y37-H369 WeakPolarHBondContact CE1-CD2 3.39Å; Y37-H369 AromaticContact CE1-CG 3.48Å; Y37-H369 VanDerWaalsContact CE1-CG 3.48Å
38	R	94.3	Very high	72.1	Confident	72 Å²	72	69 Å²	69	27%	0.272	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	99.6	172.8	-63.7	-59.7	-164.2	147.6	2.3	108.9	F40 E82 Q87 I89 F90	R38-F40 HydrophobicContact CB-CE2 4.49Å; R38-E82 IonicContact CZ-OE2 2.89Å; R38-E82 VanDerWaalsContact NH1-CD 3.34Å; R38-E82 IonicContact NH1-OE1 3.08Å; R38-E82 IonicContact NH1-OE2 2.91Å; R38-E82 PolarHBondContact NH1-OE2 3Å; R38-Q87 HydrophobicContact CG-CB 4.46Å; R38-Q87 VanDerWaalsContact NE-OE1 3.16Å; R38-I89 HydrophobicContact CB-CD1 3.51Å; R38-I89 HydrophobicContact CG-CD1 4.04Å; R38-F90 PolarHBondContact O-N 3.49Å
39	V	97.1	Very high	74.8	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	121.8	-173.5	-172.9	0	0	0	0	109	T56 L59 L63 G64 F90 I92	V39-T56 HydrophobicContact CB-CG2 3.89Å; V39-T56 HydrophobicContact CG1-CG2 3.9Å; V39-T56 HydrophobicContact CG2-CG2 4.37Å; V39-L59 HydrophobicContact CG2-CD1 4.37Å; V39-L63 HydrophobicContact CG1-CD2 4.24Å; V39-L63 CarbonylContact O-C 3.5Å; V39-L63 WeakPolarHBondContact O-CA 3.38Å; V39-G64 PolarHBondContact O-N 3.42Å; V39-F90 CarbonylContact C-O 3.57Å; V39-F90 WeakPolarHBondContact CA-O 3.47Å; V39-F90 HydrophobicContact CG1-CB 4.43Å; V39-F90 HydrophobicContact CG2-CB 4.31Å; V39-I92 HydrophobicContact CG1-CD1 3.36Å; V39-I92 HydrophobicContact CG1-CG1 3.81Å
40	F	97.8	Very high	77.4	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	153.5	175.8	-67.1	-96.2	0	0	0	109.7	R38 I80 E82 V84 I89 F90 I92 M109 L113	R38-F40 HydrophobicContact CB-CE2 4.49Å; F40-I80 HydrophobicContact CD1-CD1 4.36Å; F40-I80 HydrophobicContact CE1-CD1 4.42Å; F40-I80 HydrophobicContact CE1-CG2 3.93Å; F40-I80 HydrophobicContact CZ-CG2 4.1Å; F40-E82 HydrophobicContact CE1-CG 4.27Å; F40-E82 HydrophobicContact CZ-CG 3.97Å; F40-E82 WeakPolarHBondContact CZ-OE1 3.32Å; F40-V84 HydrophobicContact CE2-CG1 3.92Å; F40-V84 HydrophobicContact CZ-CG1 3.74Å; F40-I89 HydrophobicContact CD2-CG2 3.47Å; F40-I89 VanDerWaalsContact CD2-CG2 3.47Å; F40-I89 HydrophobicContact CE2-CD1 4.39Å; F40-I89 HydrophobicContact CE2-CG2 3.73Å; F40-F90 PolarHBondContact N-O 3.39Å; F40-I92 PolarHBondContact O-N 2.77Å; F40-M109 HydrophobicContact CB-SD 3.92Å; F40-L113 HydrophobicContact CE2-CD2 4.4Å
41	S	97.7	Very high	80	Confident	10 Å²	10	56 Å²	56	7%	0.07	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	127.6	165.7	-175.8	0	0	0	0	108.7	N43 I92 M109	S41-N43 VanDerWaalsContact C-N 3.27Å; S41-N43 PolarHBondContact OG-N 2.88Å; S41-I92 WeakPolarHBondContact CA-O 3.32Å; S41-M109 WeakPolarHBondContact O-CE 3.31Å
42	A	96.6	Very high	83	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	30%	0.298	C	S	.	.			trans	-82.7	-5.3	175.8	0	0	0	0	0	112.8	V68 I91 I92 Q93 E105 M109	A42-V68 WeakPolarHBondContact O-CG1 3.38Å; A42-I91 HydrophobicContact CB-CG2 3.76Å; A42-I92 PolarHBondContact N-O 3.12Å; A42-I92 VanDerWaalsContact N-O 3.1Å; A42-Q93 HydrophobicContact CB-CB 4.46Å; A42-Q93 HydrophobicContact CB-CG 4.5Å; A42-E105 WeakPolarHBondContact O-CB 3.44Å; A42-M109 HydrophobicContact CB-CB 4.33Å; A42-M109 HydrophobicContact CB-CE 4.08Å; A42-M109 HydrophobicContact CB-SD 3.7Å
43	N	95.2	Very high	85.9	Confident	10 Å²	10	47.8 Å²	47.8	5%	0.053	28%	0.276	C	S	.	.			trans	-76.1	131.1	-176.9	-69.8	118.2	0	0	0	112	S41 C48 T49 Q93 T94	S41-N43 VanDerWaalsContact C-N 3.27Å; S41-N43 PolarHBondContact OG-N 2.88Å; N43-C48 HydrophobicContact CB-CB 3.67Å; N43-C48 PolarHBondContact OD1-O 2.83Å; N43-T49 HydrophobicContact CB-CG2 4.1Å; N43-Q93 VanDerWaalsContact N-OE1 3.08Å; N43-Q93 PolarHBondContact ND2-OE1 2.72Å; N43-Q93 PolarHBondContact OD1-OE1 2.89Å; N43-T94 PolarHBondContact ND2-O 2.99Å; N43-T94 PolarHBondContact OD1-N 3.3Å; N43-T94 VanDerWaalsContact OD1-N 3.07Å; N43-T94 PolarHBondContact OD1-OG1 3.39Å; N43-T94 VanDerWaalsContact OD1-OG1 3.08Å
44	S	89.9	Confident	88.7	Confident	53 Å²	53	47.4 Å²	47.4	37%	0.371	26%	0.257	S	S	.	.	S	Bend	trans	-76.7	-29	171.7	51.5	0	0	0	0	114.1	E105	S44-E105 WeakPolarHBondContact CB-OE1 3.47Å; S44-E105 PolarHBondContact N-OE1 3.33Å; S44-E105 PolarHBondContact OG-OE1 2.99Å
45	T	90	Very high	91.2	Very high	76 Å²	76	35.6 Å²	35.6	47%	0.466	21%	0.213	S	C	.	.	S	Bend	trans	-93.1	131.6	-174.7	-58.8	0	0	0	0	111.9	A47 C48 T49	T45-A47 VanDerWaalsContact C-N 3.33Å; T45-A47 HydrophobicContact CG2-CB 4.36Å; T45-A47 PolarHBondContact O-N 3.5Å; T45-C48 WeakPolarHBondContact O-CB 3.26Å; T45-C48 PolarHBondContact O-N 3.41Å; T45-T49 PolarHBondContact O-N 3.44Å
46	A	86.4	Confident	93.2	Very high	72 Å²	72	33.8 Å²	33.8	60%	0.595	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-55.8	-41.1	-177.1	0	0	0	0	0	113.8	C48 T49	A46-C48 PolarHBondContact O-N 3.31Å; A46-T49 PolarHBondContact O-N 3.07Å; A46-T49 PolarHBondContact O-OG1 3.17Å
47	A	86.4	Confident	94.1	Very high	58 Å²	58	38.1 Å²	38.1	48%	0.479	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-60.6	-30.8	177.1	0	0	0	0	0	113	T45 T49 E50	T45-A47 VanDerWaalsContact C-N 3.33Å; T45-A47 HydrophobicContact CG2-CB 4.36Å; T45-A47 PolarHBondContact O-N 3.5Å; A47-T49 VanDerWaalsContact C-N 3.33Å; A47-E50 WeakPolarHBondContact O-CB 3.35Å
48	C	90.5	Very high	94.4	Very high	7 Å²	7	42.3 Å²	42.3	5%	0.047	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-80.5	-15.8	178.5	-61.7	0	0	0	0	112.8	N43 T45 A46 E50 T94 P341	N43-C48 HydrophobicContact CB-CB 3.67Å; N43-C48 PolarHBondContact OD1-O 2.83Å; T45-C48 WeakPolarHBondContact O-CB 3.26Å; T45-C48 PolarHBondContact O-N 3.41Å; A46-C48 PolarHBondContact O-N 3.31Å; C48-E50 VanDerWaalsContact C-N 3.34Å; C48-T94 WeakPolarHBondContact CB-OG1 3.26Å; C48-T94 PolarHBondContact O-OG1 3.12Å; C48-P341 HydrophobicContact CB-CG 4.19Å
49	T	93.9	Very high	94.4	Very high	19 Å²	19	39.5 Å²	39.5	12%	0.117	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-83.1	-8.7	175.4	67.6	0	0	0	0	113.7	N43 T45 A46 A47 L51 A52 K53	N43-T49 HydrophobicContact CB-CG2 4.1Å; T45-T49 PolarHBondContact O-N 3.44Å; A46-T49 PolarHBondContact O-N 3.07Å; A46-T49 PolarHBondContact O-OG1 3.17Å; A47-T49 VanDerWaalsContact C-N 3.33Å; T49-L51 PolarHBondContact O-N 3.45Å; T49-A52 WeakPolarHBondContact O-CB 3.43Å; T49-A52 PolarHBondContact O-N 3.18Å; T49-A52 VanDerWaalsContact O-N 3.11Å; T49-K53 WeakPolarHBondContact O-CG 3.45Å; T49-K53 PolarHBondContact O-N 3.46Å
50	E	95.2	Very high	94.3	Very high	75 Å²	75	42.3 Å²	42.3	35%	0.35	24%	0.242	S	C	.	.	H	α-helix	trans	-58.4	-46.4	-174.1	-179.9	59.5	-164.1	0	0	112.6	A47 C48 A52 K53 R54	A47-E50 WeakPolarHBondContact O-CB 3.35Å; C48-E50 VanDerWaalsContact C-N 3.34Å; E50-A52 VanDerWaalsContact C-N 3.32Å; E50-A52 PolarHBondContact O-N 3.11Å; E50-K53 PolarHBondContact O-N 2.91Å; E50-R54 WeakPolarHBondContact O-CG 3.44Å; E50-R54 PolarHBondContact O-N 3.25Å; E50-R54 IonicContact OE1-CZ 2.77Å; E50-R54 VanDerWaalsContact OE1-CZ 3.26Å; E50-R54 IonicContact OE1-NE 2.74Å; E50-R54 PolarHBondContact OE1-NE 2.81Å; E50-R54 IonicContact OE1-NH2 3Å; E50-R54 PolarHBondContact OE1-NH2 3.32Å
51	L	96.8	Very high	94.1	Very high	8 Å²	8	43 Å²	43	4%	0.042	25%	0.248	C	C	.	.	H	α-helix	trans	-64.2	-39.2	177.4	179.6	62	0	0	0	111.7	T49 K53 R54 I55 T94 P126 I357 L361	T49-L51 PolarHBondContact O-N 3.45Å; L51-K53 VanDerWaalsContact C-N 3.33Å; L51-K53 PolarHBondContact O-N 3.02Å; L51-R54 PolarHBondContact O-N 3.22Å; L51-I55 HydrophobicContact CD1-CD1 4.09Å; L51-I55 HydrophobicContact CD1-CG1 4.33Å; L51-I55 HydrophobicContact CG-CD1 3.85Å; L51-I55 WeakPolarHBondContact O-CD1 3.48Å; L51-I55 VanDerWaalsContact O-CG1 3.26Å; L51-I55 WeakPolarHBondContact O-CG1 3.39Å; L51-I55 PolarHBondContact O-N 3.29Å; L51-T94 HydrophobicContact CB-CG2 4.11Å; L51-T94 HydrophobicContact CD2-CG2 3.88Å; L51-P126 HydrophobicContact CD2-CB 4.22Å; L51-P126 HydrophobicContact CD2-CG 3.61Å; L51-I357 HydrophobicContact CD1-CD1 3.83Å; L51-I357 HydrophobicContact CD2-CD1 4.11Å; L51-L361 HydrophobicContact CD1-CD1 4.32Å; L51-L361 HydrophobicContact CD2-CD1 3.91Å; L51-L361 HydrophobicContact CG-CD1 4.39Å
52	A	97.1	Very high	93.9	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.4	-42.3	177.8	0	0	0	0	0	111.4	T49 E50 I55 T56 L63 I92	T49-A52 WeakPolarHBondContact O-CB 3.43Å; T49-A52 PolarHBondContact O-N 3.18Å; T49-A52 VanDerWaalsContact O-N 3.11Å; E50-A52 VanDerWaalsContact C-N 3.32Å; E50-A52 PolarHBondContact O-N 3.11Å; A52-I55 PolarHBondContact O-N 2.87Å; A52-T56 PolarHBondContact O-N 2.75Å; A52-T56 PolarHBondContact O-OG1 2.79Å; A52-T56 VanDerWaalsContact O-OG1 3.12Å; A52-L63 HydrophobicContact CB-CD1 4.49Å; A52-L63 HydrophobicContact CB-CD2 4.08Å; A52-I92 HydrophobicContact CB-CB 3.97Å; A52-I92 HydrophobicContact CB-CD1 3.89Å; A52-I92 HydrophobicContact CB-CG2 3.84Å
53	K	96.6	Very high	93.9	Very high	86 Å²	86	52.9 Å²	52.9	37%	0.374	29%	0.294	S	S	.	.	H	α-helix	trans	-60.9	-49.6	175.4	-70.4	175.4	-176.7	174.2	0	112	T49 E50 L51 I55 T56 E57 L63	T49-K53 WeakPolarHBondContact O-CG 3.45Å; T49-K53 PolarHBondContact O-N 3.46Å; E50-K53 PolarHBondContact O-N 2.91Å; L51-K53 VanDerWaalsContact C-N 3.33Å; L51-K53 PolarHBondContact O-N 3.02Å; K53-I55 VanDerWaalsContact C-N 3.29Å; K53-I55 PolarHBondContact O-N 3.5Å; K53-T56 WeakPolarHBondContact CA-OG1 2.93Å; K53-T56 PolarHBondContact O-N 2.63Å; K53-T56 VanDerWaalsContact O-N 3.13Å; K53-T56 PolarHBondContact O-OG1 3.41Å; K53-E57 WeakPolarHBondContact O-CG 3.45Å; K53-E57 PolarHBondContact O-N 2.82Å; K53-L63 HydrophobicContact CG-CD1 3.87Å
54	R	97.2	Very high	93.8	Very high	70 Å²	70	53 Å²	53	26%	0.264	30%	0.297	S	S	.	.	H	α-helix	trans	-59.3	-39.9	177.5	-69	-178.1	-169.4	172.6	6.2	112.5	E50 L51 R58 N338	E50-R54 WeakPolarHBondContact O-CG 3.44Å; E50-R54 PolarHBondContact O-N 3.25Å; E50-R54 IonicContact OE1-CZ 2.77Å; E50-R54 VanDerWaalsContact OE1-CZ 3.26Å; E50-R54 IonicContact OE1-NE 2.74Å; E50-R54 PolarHBondContact OE1-NE 2.81Å; E50-R54 IonicContact OE1-NH2 3Å; E50-R54 PolarHBondContact OE1-NH2 3.32Å; L51-R54 PolarHBondContact O-N 3.22Å; R54-R58 WeakPolarHBondContact O-CG 3.48Å; R54-R58 PolarHBondContact O-N 2.77Å; R54-R58 VanDerWaalsContact O-N 3.11Å; R54-N338 PolarHBondContact NH1-ND2 3.36Å
55	I	97.3	Very high	94.1	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-63.2	-46.9	175.7	-71.5	164.7	0	0	0	110.4	L51 A52 K53 R58 L59 I92 L361 I365	L51-I55 HydrophobicContact CD1-CD1 4.09Å; L51-I55 HydrophobicContact CD1-CG1 4.33Å; L51-I55 HydrophobicContact CG-CD1 3.85Å; L51-I55 WeakPolarHBondContact O-CD1 3.48Å; L51-I55 VanDerWaalsContact O-CG1 3.26Å; L51-I55 WeakPolarHBondContact O-CG1 3.39Å; L51-I55 PolarHBondContact O-N 3.29Å; A52-I55 PolarHBondContact O-N 2.87Å; K53-I55 VanDerWaalsContact C-N 3.29Å; K53-I55 PolarHBondContact O-N 3.5Å; I55-R58 PolarHBondContact O-N 2.74Å; I55-L59 HydrophobicContact CG2-CD1 3.95Å; I55-L59 WeakPolarHBondContact O-CG 3.28Å; I55-L59 PolarHBondContact O-N 2.87Å; I55-I92 HydrophobicContact CB-CD1 4.04Å; I55-I92 HydrophobicContact CD1-CD1 3.87Å; I55-I92 HydrophobicContact CD1-CG2 4.5Å; I55-I92 HydrophobicContact CG2-CD1 3.87Å; I55-L361 HydrophobicContact CD1-CB 3.74Å; I55-L361 HydrophobicContact CD1-CD1 3.72Å; I55-L361 HydrophobicContact CD1-CG 4.4Å; I55-L361 HydrophobicContact CG1-CB 4.11Å; I55-I365 HydrophobicContact CG2-CD1 3.56Å
56	T	96.3	Very high	94.4	Very high	8 Å²	8	55.2 Å²	55.2	5%	0.049	30%	0.298	C	S	.	.	H	α-helix	trans	-65.5	-38	178.9	48.2	0	0	0	0	112.9	V39 A52 K53 R58 L59 G60 A61 L63	V39-T56 HydrophobicContact CB-CG2 3.89Å; V39-T56 HydrophobicContact CG1-CG2 3.9Å; V39-T56 HydrophobicContact CG2-CG2 4.37Å; A52-T56 PolarHBondContact O-N 2.75Å; A52-T56 PolarHBondContact O-OG1 2.79Å; A52-T56 VanDerWaalsContact O-OG1 3.12Å; K53-T56 WeakPolarHBondContact CA-OG1 2.93Å; K53-T56 PolarHBondContact O-N 2.63Å; K53-T56 VanDerWaalsContact O-N 3.13Å; K53-T56 PolarHBondContact O-OG1 3.41Å; T56-R58 VanDerWaalsContact C-N 3.34Å; T56-R58 PolarHBondContact O-N 3.12Å; T56-L59 CarbonylContact O-C 3.59Å; T56-L59 PolarHBondContact O-N 2.97Å; T56-G60 PolarHBondContact O-N 2.83Å; T56-A61 CarbonylContact C-O 3.6Å; T56-A61 WeakPolarHBondContact CB-O 3.47Å; T56-A61 PolarHBondContact O-N 3Å; T56-L63 HydrophobicContact CG2-CD2 3.62Å; T56-L63 HydrophobicContact CG2-CG 3.92Å
57	E	96.1	Very high	94.8	Very high	144 Å²	144	54.8 Å²	54.8	67%	0.673	29%	0.288	S	S	*	.	H	α-helix	trans	-59.6	-44.2	174.3	-74.5	170	-171	0	0	111.6	K53 L59 G60	K53-E57 WeakPolarHBondContact O-CG 3.45Å; K53-E57 PolarHBondContact O-N 2.82Å; E57-L59 VanDerWaalsContact C-N 3.31Å; E57-L59 PolarHBondContact O-N 3.29Å; E57-G60 PolarHBondContact O-N 2.67Å
58	R	95.2	Very high	95.2	Very high	121 Å²	121	53 Å²	53	46%	0.457	27%	0.271	S	S	.	.	H	α-helix	trans	-66.2	-32.2	176.4	-70.8	-178.5	-176.9	-75	3.4	113.2	R54 I55 T56 G60 D356 S358	R54-R58 WeakPolarHBondContact O-CG 3.48Å; R54-R58 PolarHBondContact O-N 2.77Å; R54-R58 VanDerWaalsContact O-N 3.11Å; I55-R58 PolarHBondContact O-N 2.74Å; T56-R58 VanDerWaalsContact C-N 3.34Å; T56-R58 PolarHBondContact O-N 3.12Å; R58-G60 VanDerWaalsContact C-N 3.29Å; R58-D356 IonicContact CZ-OD2 2.63Å; R58-D356 IonicContact NE-OD2 2.67Å; R58-D356 IonicContact NH2-OD2 3.84Å; R58-D356 PolarHBondContact NH2-OD2 2.89Å; R58-S358 PolarHBondContact NE-OG 2.84Å
59	L	94.2	Very high	95.4	Very high	13 Å²	13	56.7 Å²	56.7	7%	0.068	29%	0.285	C	S	.	.	H	α-helix	trans	-79.4	-11.2	176	-70.5	172.6	0	0	0	113.2	Y37 V39 I55 T56 E57 A61 S362 I365 R366	Y37-L59 HydrophobicContact CD2-CB 4.2Å; Y37-L59 HydrophobicContact CE2-CD2 4.31Å; V39-L59 HydrophobicContact CG2-CD1 4.37Å; I55-L59 HydrophobicContact CG2-CD1 3.95Å; I55-L59 WeakPolarHBondContact O-CG 3.28Å; I55-L59 PolarHBondContact O-N 2.87Å; T56-L59 CarbonylContact O-C 3.59Å; T56-L59 PolarHBondContact O-N 2.97Å; E57-L59 VanDerWaalsContact C-N 3.31Å; E57-L59 PolarHBondContact O-N 3.29Å; L59-A61 HydrophobicContact CB-CB 4.11Å; L59-A61 PolarHBondContact O-N 3.32Å; L59-S362 WeakPolarHBondContact CD2-O 3.38Å; L59-I365 HydrophobicContact CD1-CB 4.29Å; L59-I365 HydrophobicContact CD1-CD1 4.36Å; L59-I365 HydrophobicContact CD1-CG2 3.76Å; L59-R366 HydrophobicContact CD2-CB 4.1Å
60	G	93.7	Very high	95.4	Very high	58 Å²	58	60.3 Å²	60.3	60%	0.598	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	28.2	-169.5	0	0	0	0	0	112.9	T35 T56 E57 R58	T35-G60 PolarHBondContact OG1-O 2.76Å; T56-G60 PolarHBondContact O-N 2.83Å; E57-G60 PolarHBondContact O-N 2.67Å; R58-G60 VanDerWaalsContact C-N 3.29Å
61	A	93.4	Very high	95.4	Very high	15 Å²	15	59.2 Å²	59.2	12%	0.124	30%	0.295	C	S	.	.			trans	-111.5	165.2	-177.9	0	0	0	0	0	111.4	Y37 T56 L59	Y37-A61 HydrophobicContact CD2-CB 4.4Å; T56-A61 CarbonylContact C-O 3.6Å; T56-A61 WeakPolarHBondContact CB-O 3.47Å; T56-A61 PolarHBondContact O-N 3Å; L59-A61 HydrophobicContact CB-CB 4.11Å; L59-A61 PolarHBondContact O-N 3.32Å
62	E	94.3	Very high	95.3	Very high	166 Å²	166	66.2 Å²	66.2	78%	0.776	34%	0.338	S	S	*	.			trans	-106.2	149.9	169.9	-68.8	178.5	-179.4	0	0	109.8	G64	E62-G64 PolarHBondContact O-N 3.44Å
63	L	95.8	Very high	95.2	Very high	52 Å²	52	71.1 Å²	71.1	27%	0.272	36%	0.364	S	S	.	.	B	Isolated β-bridge	trans	-64.8	136.1	169.4	-74.3	171.3	0	0	0	109.8	V39 A52 K53 T56	V39-L63 HydrophobicContact CG1-CD2 4.24Å; V39-L63 CarbonylContact O-C 3.5Å; V39-L63 WeakPolarHBondContact O-CA 3.38Å; A52-L63 HydrophobicContact CB-CD1 4.49Å; A52-L63 HydrophobicContact CB-CD2 4.08Å; K53-L63 HydrophobicContact CG-CD1 3.87Å; T56-L63 HydrophobicContact CG2-CD2 3.62Å; T56-L63 HydrophobicContact CG2-CG 3.92Å
64	G	94.4	Very high	95	Very high	12 Å²	12	69 Å²	69	12%	0.124	37%	0.367	C	S	.	.			trans	-61.2	149.1	175.3	0	0	0	0	0	111.6	V39 E62 S66 E82	V39-G64 PolarHBondContact O-N 3.42Å; E62-G64 PolarHBondContact O-N 3.44Å; G64-S66 PolarHBondContact O-N 3.22Å; G64-E82 VanDerWaalsContact C-OE1 3.31Å; G64-E82 WeakPolarHBondContact CA-OE1 3.28Å
65	K	95.3	Very high	95	Very high	142 Å²	142	71.1 Å²	71.1	62%	0.617	38%	0.38	S	S	*	.			trans	-78.3	105.8	-177.1	-62.1	-178.6	-177.7	-180	0	109.1	K81 E82	K65-K81 HydrophobicContact CB-CB 3.93Å; K65-K81 WeakPolarHBondContact O-CA 3.44Å; K65-K81 WeakPolarHBondContact O-CB 3.36Å; K65-K81 PolarHBondContact O-N 3.12Å; K65-E82 PolarHBondContact N-OE1 2.79Å
66	S	95.4	Very high	95.1	Very high	34 Å²	34	72.2 Å²	72.2	24%	0.238	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	153.9	173.1	54.9	0	0	0	0	111.4	G64 E79	G64-S66 PolarHBondContact O-N 3.22Å; S66-E79 CarbonylContact C-O 3.59Å; S66-E79 VanDerWaalsContact CA-O 3.24Å; S66-E79 WeakPolarHBondContact CA-O 3.47Å
67	V	95.1	Very high	95.1	Very high	62 Å²	62	78 Å²	78	38%	0.376	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	127	172.4	-170	0	0	0	0	107.7	Y69 V78 E79 K81	V67-Y69 HydrophobicContact CG1-CD1 3.8Å; V67-Y69 HydrophobicContact CG1-CE1 4.32Å; V67-V78 CarbonylContact O-C 3.58Å; V67-V78 WeakPolarHBondContact O-CA 3.35Å; V67-E79 PolarHBondContact N-O 3.4Å; V67-E79 PolarHBondContact O-N 3.44Å; V67-K81 HydrophobicContact CG2-CG 4.15Å
68	V	96.2	Very high	95.2	Very high	21 Å²	21	72.2 Å²	72.2	13%	0.127	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	121.2	174.3	-173.8	0	0	0	0	108	A42 R77 V78 E105 M109	A42-V68 WeakPolarHBondContact O-CG1 3.38Å; V68-R77 WeakPolarHBondContact CA-O 3.39Å; V68-V78 HydrophobicContact CG1-CG2 4.17Å; V68-V78 HydrophobicContact CG2-CG1 4.25Å; V68-V78 HydrophobicContact CG2-CG2 4.25Å; V68-E105 HydrophobicContact CG1-CB 4.34Å; V68-E105 HydrophobicContact CG1-CG 3.78Å; V68-M109 HydrophobicContact CG2-CE 3.54Å
69	Y	93.9	Very high	95.3	Very high	85 Å²	85	71.1 Å²	71.1	33%	0.333	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	164.1	-178.7	69.3	-80.2	0	0	0	111.3	V67 E71 R77	V67-Y69 HydrophobicContact CG1-CD1 3.8Å; V67-Y69 HydrophobicContact CG1-CE1 4.32Å; Y69-E71 HydrophobicContact CE2-CG 4.15Å; Y69-E71 VanDerWaalsContact CE2-OE1 3.22Å; Y69-E71 WeakPolarHBondContact CE2-OE1 3.33Å; Y69-E71 PolarHBondContact OH-OE1 3.01Å; Y69-R77 HydrophobicContact CD1-CB 4.28Å; Y69-R77 HydrophobicContact CE1-CB 3.82Å; Y69-R77 HydrophobicContact CE2-CB 4.35Å; Y69-R77 PolarHBondContact N-O 3.12Å; Y69-R77 VanDerWaalsContact N-O 3.07Å; Y69-R77 PolarHBondContact O-N 2.77Å; Y69-R77 WeakPolarHBondContact OH-CD 3.38Å
70	Q	94.2	Very high	95.4	Very high	94 Å²	94	72.1 Å²	72.1	44%	0.439	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	135.3	170	-75.6	-170.8	-24.4	0	0	110.4	E75 T101	Q70-E75 CarbonylContact C-O 3.56Å; Q70-E75 WeakPolarHBondContact CA-O 3.36Å; Q70-T101 HydrophobicContact CG-CG2 4.48Å; Q70-T101 PolarHBondContact NE2-OG1 2.88Å; Q70-T101 VanDerWaalsContact NE2-OG1 3.13Å
71	E	94.5	Very high	95.6	Very high	53 Å²	53	74.4 Å²	74.4	25%	0.248	38%	0.38	C	S	.	.			trans	-70.9	164.9	169.1	-69.4	-70.1	175.3	0	0	110.5	Y69 N73 G74 E75 R77	Y69-E71 HydrophobicContact CE2-CG 4.15Å; Y69-E71 VanDerWaalsContact CE2-OE1 3.22Å; Y69-E71 WeakPolarHBondContact CE2-OE1 3.33Å; Y69-E71 PolarHBondContact OH-OE1 3.01Å; E71-N73 VanDerWaalsContact CB-OD1 3.23Å; E71-N73 WeakPolarHBondContact CB-OD1 3.29Å; E71-N73 PolarHBondContact O-N 3.02Å; E71-N73 VanDerWaalsContact O-N 3.09Å; E71-G74 PolarHBondContact O-N 3.48Å; E71-E75 PolarHBondContact N-O 3.44Å; E71-R77 HydrophobicContact CG-CG 3.9Å; E71-R77 WeakPolarHBondContact OE1-CD 3.47Å; E71-R77 IonicContact OE1-CZ 3.36Å; E71-R77 VanDerWaalsContact OE1-CZ 3.23Å; E71-R77 IonicContact OE1-NE 3.2Å; E71-R77 PolarHBondContact OE1-NE 2.93Å; E71-R77 IonicContact OE1-NH1 3.12Å; E71-R77 PolarHBondContact OE1-NH1 3.37Å; E71-R77 IonicContact OE1-NH2 2.89Å
72	T	94.8	Very high	95.6	Very high	154 Å²	154	76.3 Å²	76.3	95%	0.945	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-20.1	-177.8	53.5	0	0	0	0	114
73	N	95.2	Very high	95.7	Very high	103 Å²	103	72.6 Å²	72.6	55%	0.551	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	0.7	174.8	66.3	-5.9	0	0	0	113.6	E71 E75	E71-N73 VanDerWaalsContact CB-OD1 3.23Å; E71-N73 WeakPolarHBondContact CB-OD1 3.29Å; E71-N73 PolarHBondContact O-N 3.02Å; E71-N73 VanDerWaalsContact O-N 3.09Å; N73-E75 PolarHBondContact ND2-OE2 3.46Å; N73-E75 VanDerWaalsContact ND2-OE2 3.16Å; N73-E75 WeakPolarHBondContact OD1-CB 3.48Å; N73-E75 PolarHBondContact OD1-N 2.99Å
74	G	93.4	Very high	95.7	Very high	41 Å²	41	70.1 Å²	70.1	42%	0.423	37%	0.366	S	S	.	.	S	Bend	trans	86.5	0.4	-178.6	0	0	0	0	0	115	E71	E71-G74 PolarHBondContact O-N 3.48Å
75	E	97.2	Very high	95.7	Very high	116 Å²	116	78 Å²	78	54%	0.542	39%	0.393	S	S	.	.			trans	-72	138.5	175.2	-69.1	178.7	166.8	0	0	111.2	Q70 E71 N73	Q70-E75 CarbonylContact C-O 3.56Å; Q70-E75 WeakPolarHBondContact CA-O 3.36Å; E71-E75 PolarHBondContact N-O 3.44Å; N73-E75 PolarHBondContact ND2-OE2 3.46Å; N73-E75 VanDerWaalsContact ND2-OE2 3.16Å; N73-E75 WeakPolarHBondContact OD1-CB 3.48Å; N73-E75 PolarHBondContact OD1-N 2.99Å
76	T	97.6	Very high	95.7	Very high	22 Å²	22	72.7 Å²	72.7	14%	0.135	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	134.5	177.3	-59.8	0	0	0	0	110.6	E105 I108	T76-E105 HydrophobicContact CG2-CB 4.26Å; T76-E105 HydrophobicContact CG2-CG 3.53Å; T76-I108 HydrophobicContact CG2-CD1 4Å
77	R	97.4	Very high	95.7	Very high	130 Å²	130	73.9 Å²	73.9	49%	0.491	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	138	171.5	-72.2	-161.7	-177.9	-169.9	0.1	111.8	V68 Y69 E71	V68-R77 WeakPolarHBondContact CA-O 3.39Å; Y69-R77 HydrophobicContact CD1-CB 4.28Å; Y69-R77 HydrophobicContact CE1-CB 3.82Å; Y69-R77 HydrophobicContact CE2-CB 4.35Å; Y69-R77 PolarHBondContact N-O 3.12Å; Y69-R77 VanDerWaalsContact N-O 3.07Å; Y69-R77 PolarHBondContact O-N 2.77Å; Y69-R77 WeakPolarHBondContact OH-CD 3.38Å; E71-R77 HydrophobicContact CG-CG 3.9Å; E71-R77 WeakPolarHBondContact OE1-CD 3.47Å; E71-R77 IonicContact OE1-CZ 3.36Å; E71-R77 VanDerWaalsContact OE1-CZ 3.23Å; E71-R77 IonicContact OE1-NE 3.2Å; E71-R77 PolarHBondContact OE1-NE 2.93Å; E71-R77 IonicContact OE1-NH1 3.12Å; E71-R77 PolarHBondContact OE1-NH1 3.37Å; E71-R77 IonicContact OE1-NH2 2.89Å
78	V	97.8	Very high	95.7	Very high	23 Å²	23	72.5 Å²	72.5	14%	0.139	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	129.6	175.7	-178.5	0	0	0	0	108.6	V67 V68 I80 I108 M109	V67-V78 CarbonylContact O-C 3.58Å; V67-V78 WeakPolarHBondContact O-CA 3.35Å; V68-V78 HydrophobicContact CG1-CG2 4.17Å; V68-V78 HydrophobicContact CG2-CG1 4.25Å; V68-V78 HydrophobicContact CG2-CG2 4.25Å; V78-I80 HydrophobicContact CG1-CD1 4.1Å; V78-I108 HydrophobicContact CB-CG2 3.89Å; V78-I108 HydrophobicContact CG2-CB 4.09Å; V78-I108 HydrophobicContact CG2-CG2 3.76Å; V78-M109 HydrophobicContact CG1-CB 3.97Å; V78-M109 HydrophobicContact CG1-CE 3.63Å; V78-M109 HydrophobicContact CG1-CG 4.15Å; V78-M109 HydrophobicContact CG2-CB 4.37Å
79	E	96.8	Very high	95.8	Very high	97 Å²	97	71.5 Å²	71.5	45%	0.453	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	120.7	174.1	-159.6	-172.9	153.2	0	0	110.5	S66 V67 K81	S66-E79 CarbonylContact C-O 3.59Å; S66-E79 VanDerWaalsContact CA-O 3.24Å; S66-E79 WeakPolarHBondContact CA-O 3.47Å; V67-E79 PolarHBondContact N-O 3.4Å; V67-E79 PolarHBondContact O-N 3.44Å; E79-K81 HydrophobicContact CG-CD 4.34Å; E79-K81 WeakPolarHBondContact OE1-CE 3.24Å; E79-K81 IonicContact OE1-NZ 3.77Å; E79-K81 PolarHBondContact OE1-NZ 2.73Å; E79-K81 VanDerWaalsContact OE2-CE 3.27Å; E79-K81 WeakPolarHBondContact OE2-CE 3.36Å; E79-K81 IonicContact OE2-NZ 3.65Å; E79-K81 PolarHBondContact OE2-NZ 2.76Å
80	I	97.4	Very high	96	Very high	35 Å²	35	67.5 Å²	67.5	18%	0.179	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	119.3	175.5	-51	-57.6	0	0	0	108.1	F40 V78 E82 V84 M109 A112 L113	F40-I80 HydrophobicContact CD1-CD1 4.36Å; F40-I80 HydrophobicContact CE1-CD1 4.42Å; F40-I80 HydrophobicContact CE1-CG2 3.93Å; F40-I80 HydrophobicContact CZ-CG2 4.1Å; V78-I80 HydrophobicContact CG1-CD1 4.1Å; I80-E82 WeakPolarHBondContact CG2-O 3.27Å; I80-V84 HydrophobicContact CG2-CG1 4.09Å; I80-M109 HydrophobicContact CD1-CE 4.37Å; I80-M109 HydrophobicContact CD1-CG 4.24Å; I80-A112 HydrophobicContact CG1-CB 4.36Å; I80-L113 HydrophobicContact CD1-CD2 4.19Å; I80-L113 HydrophobicContact CD1-CG 4.42Å; I80-L113 HydrophobicContact CG1-CD2 4.1Å; I80-L113 HydrophobicContact CG1-CG 4.45Å; I80-L113 HydrophobicContact CG2-CD2 4.37Å
81	K	96.9	Very high	96.2	Very high	105 Å²	105	63 Å²	63	46%	0.457	33%	0.328	S	S	.	.			trans	-95.7	13.4	-172.4	-60.5	-68.4	-173.9	175.1	0	113.3	K65 V67 E79	K65-K81 HydrophobicContact CB-CB 3.93Å; K65-K81 WeakPolarHBondContact O-CA 3.44Å; K65-K81 WeakPolarHBondContact O-CB 3.36Å; K65-K81 PolarHBondContact O-N 3.12Å; V67-K81 HydrophobicContact CG2-CG 4.15Å; E79-K81 HydrophobicContact CG-CD 4.34Å; E79-K81 WeakPolarHBondContact OE1-CE 3.24Å; E79-K81 IonicContact OE1-NZ 3.77Å; E79-K81 PolarHBondContact OE1-NZ 2.73Å; E79-K81 VanDerWaalsContact OE2-CE 3.27Å; E79-K81 WeakPolarHBondContact OE2-CE 3.36Å; E79-K81 IonicContact OE2-NZ 3.65Å; E79-K81 PolarHBondContact OE2-NZ 2.76Å
82	E	95	Very high	96.4	Very high	55 Å²	55	60.5 Å²	60.5	26%	0.257	32%	0.316	S	S	.	.	S	Bend	trans	-147.8	161.9	178.1	66.5	-178.2	142.8	0	0	112.9	R38 F40 G64 K65 I80	R38-E82 IonicContact CZ-OE2 2.89Å; R38-E82 VanDerWaalsContact NH1-CD 3.34Å; R38-E82 IonicContact NH1-OE1 3.08Å; R38-E82 IonicContact NH1-OE2 2.91Å; R38-E82 PolarHBondContact NH1-OE2 3Å; F40-E82 HydrophobicContact CE1-CG 4.27Å; F40-E82 HydrophobicContact CZ-CG 3.97Å; F40-E82 WeakPolarHBondContact CZ-OE1 3.32Å; G64-E82 VanDerWaalsContact C-OE1 3.31Å; G64-E82 WeakPolarHBondContact CA-OE1 3.28Å; K65-E82 PolarHBondContact N-OE1 2.79Å; I80-E82 WeakPolarHBondContact CG2-O 3.27Å
83	S	95.1	Very high	96.5	Very high	88 Å²	88	53.2 Å²	53.2	62%	0.615	27%	0.271	S	S	*	.			trans	-76.8	127.6	-179.5	-175.1	0	0	0	0	111.7	Q87	S83-Q87 PolarHBondContact O-OE1 2.85Å
84	V	96.1	Very high	96.6	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.006	25%	0.245	C	C	.	.			trans	-116	8.6	179.2	-64	0	0	0	0	113	F40 I80 G86 Q87 I89 L113 A116	F40-V84 HydrophobicContact CE2-CG1 3.92Å; F40-V84 HydrophobicContact CZ-CG1 3.74Å; I80-V84 HydrophobicContact CG2-CG1 4.09Å; V84-G86 PolarHBondContact O-N 3.34Å; V84-Q87 PolarHBondContact O-N 3.13Å; V84-I89 HydrophobicContact CB-CD1 3.83Å; V84-I89 HydrophobicContact CB-CG1 4.25Å; V84-I89 HydrophobicContact CG1-CD1 3.94Å; V84-L113 HydrophobicContact CB-CD2 4.09Å; V84-L113 HydrophobicContact CG1-CD2 3.75Å; V84-L113 HydrophobicContact CG2-CD2 3.81Å; V84-A116 HydrophobicContact CG2-CB 3.4Å; V84-A116 VanDerWaalsContact CG2-CB 3.4Å
85	R	95.5	Very high	96.7	Very high	178 Å²	178	46.8 Å²	46.8	67%	0.672	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	125.6	-172.4	179.6	179.8	-68.5	-116	-0.9	111.5	Q87 C117	R85-Q87 PolarHBondContact O-N 2.85Å; R85-C117 HydrophobicContact CG-CB 4.26Å
86	G	94.3	Very high	96.4	Very high	30 Å²	30	43.1 Å²	43.1	31%	0.309	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	13.2	175.6	0	0	0	0	0	114.5	V84 C117 R119	V84-G86 PolarHBondContact O-N 3.34Å; G86-C117 PolarHBondContact N-O 3.37Å; G86-R119 VanDerWaalsContact O-CZ 3.22Å; G86-R119 PolarHBondContact O-NE 3Å; G86-R119 VanDerWaalsContact O-NE 3.12Å; G86-R119 PolarHBondContact O-NH2 3.31Å
87	Q	94.7	Very high	96	Very high	58 Å²	58	51 Å²	51	27%	0.271	24%	0.24	S	C	.	.			trans	-100.8	158	179.8	-67.5	175.3	-10	0	0	111.5	R38 S83 V84 R85 I89 R119	R38-Q87 HydrophobicContact CG-CB 4.46Å; R38-Q87 VanDerWaalsContact NE-OE1 3.16Å; S83-Q87 PolarHBondContact O-OE1 2.85Å; V84-Q87 PolarHBondContact O-N 3.13Å; R85-Q87 PolarHBondContact O-N 2.85Å; Q87-I89 HydrophobicContact CB-CD1 3.81Å; Q87-R119 PolarHBondContact O-N 2.87Å
88	D	95.8	Very high	95.8	Very high	34 Å²	34	48.5 Å²	48.5	18%	0.182	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	119.9	172.8	-57.9	-46.8	0	0	0	108.8	R119 N120	D88-R119 WeakPolarHBondContact OD1-CD 3.22Å; D88-R119 IonicContact OD2-NH1 2.72Å; D88-N120 HydrophobicContact CB-CB 4.4Å; D88-N120 WeakPolarHBondContact OD1-CB 3.3Å; D88-N120 PolarHBondContact OD1-ND2 2.95Å
89	I	97.8	Very high	95.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	134.7	-169.6	-49.1	-58.2	0	0	0	110	R38 F40 V84 Q87 L113 A118 N120 I122	R38-I89 HydrophobicContact CB-CD1 3.51Å; R38-I89 HydrophobicContact CG-CD1 4.04Å; F40-I89 HydrophobicContact CD2-CG2 3.47Å; F40-I89 VanDerWaalsContact CD2-CG2 3.47Å; F40-I89 HydrophobicContact CE2-CD1 4.39Å; F40-I89 HydrophobicContact CE2-CG2 3.73Å; V84-I89 HydrophobicContact CB-CD1 3.83Å; V84-I89 HydrophobicContact CB-CG1 4.25Å; V84-I89 HydrophobicContact CG1-CD1 3.94Å; Q87-I89 HydrophobicContact CB-CD1 3.81Å; I89-L113 HydrophobicContact CG1-CD2 4.49Å; I89-L113 HydrophobicContact CG2-CD1 3.77Å; I89-L113 HydrophobicContact CG2-CD2 4.12Å; I89-A118 HydrophobicContact CG1-CB 3.78Å; I89-N120 PolarHBondContact N-O 3.06Å; I89-I122 WeakPolarHBondContact O-CD1 3.48Å; I89-I122 PolarHBondContact O-N 3.49Å
90	F	98.5	Very high	95.8	Very high	1 Å²	1	49.4 Å²	49.4	0%	0.004	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	124.2	172	-61.7	-91.5	0	0	0	109.4	R38 V39 F40 I122 V124 I365 I368 H369	R38-F90 PolarHBondContact O-N 3.49Å; V39-F90 CarbonylContact C-O 3.57Å; V39-F90 WeakPolarHBondContact CA-O 3.47Å; V39-F90 HydrophobicContact CG1-CB 4.43Å; V39-F90 HydrophobicContact CG2-CB 4.31Å; F40-F90 PolarHBondContact N-O 3.39Å; F90-I122 CarbonylContact C-O 3.54Å; F90-I122 WeakPolarHBondContact CA-O 3.08Å; F90-I122 HydrophobicContact CD1-CB 3.61Å; F90-I122 HydrophobicContact CD1-CD1 4.29Å; F90-I122 HydrophobicContact CD1-CG1 4.21Å; F90-I122 HydrophobicContact CD1-CG2 3.72Å; F90-I122 HydrophobicContact CE1-CB 3.83Å; F90-I122 HydrophobicContact CE1-CD1 4Å; F90-I122 HydrophobicContact CE1-CG1 3.95Å; F90-I122 HydrophobicContact CE1-CG2 3.86Å; F90-I122 HydrophobicContact CG-CB 4.38Å; F90-I122 HydrophobicContact CZ-CD1 4.13Å; F90-V124 HydrophobicContact CB-CG2 4.35Å; F90-V124 HydrophobicContact CD1-CG2 4.19Å; F90-I365 HydrophobicContact CD1-CB 4.34Å; F90-I365 HydrophobicContact CD1-CG1 3.92Å; F90-I365 HydrophobicContact CD1-CG2 3.9Å; F90-I365 HydrophobicContact CD2-CG2 3.96Å; F90-I365 HydrophobicContact CE1-CB 4.25Å; F90-I365 HydrophobicContact CE1-CG1 4.22Å; F90-I365 HydrophobicContact CE1-CG2 3.85Å; F90-I365 HydrophobicContact CE2-CG2 3.92Å; F90-I365 HydrophobicContact CG-CG1 4.47Å; F90-I365 HydrophobicContact CG-CG2 3.96Å; F90-I365 HydrophobicContact CZ-CG2 3.86Å; F90-I368 HydrophobicContact CE1-CB 4.47Å; F90-I368 HydrophobicContact CE1-CG2 4.24Å; F90-I368 HydrophobicContact CZ-CG2 4.32Å; F90-H369 HydrophobicContact CE2-CB 4.28Å; F90-H369 HydrophobicContact CZ-CB 4.11Å
91	I	98.4	Very high	95.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	114.7	173.9	-53.3	170	0	0	0	107.9	A42 L106 M109 A110 L113 I121 I122 V124	A42-I91 HydrophobicContact CB-CG2 3.76Å; I91-L106 HydrophobicContact CB-CD1 4.27Å; I91-L106 HydrophobicContact CD1-CD1 4.46Å; I91-L106 HydrophobicContact CG2-CD1 3.62Å; I91-M109 HydrophobicContact CD1-CG 4.15Å; I91-M109 HydrophobicContact CG1-CG 4.46Å; I91-M109 HydrophobicContact CG1-SD 4.43Å; I91-M109 HydrophobicContact CG2-CG 4.36Å; I91-M109 HydrophobicContact CG2-SD 3.7Å; I91-A110 HydrophobicContact CD1-CB 4.02Å; I91-L113 HydrophobicContact CD1-CD1 3.49Å; I91-L113 VanDerWaalsContact CD1-CD1 3.49Å; I91-L113 HydrophobicContact CG1-CD1 3.58Å; I91-I121 HydrophobicContact CD1-CG2 3.57Å; I91-I121 HydrophobicContact CG1-CG2 4.25Å; I91-I122 PolarHBondContact N-O 3.46Å; I91-V124 PolarHBondContact O-N 3.07Å
92	I	98.4	Very high	95.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	122.3	174	-56.4	175.4	0	0	0	108.5	V39 F40 S41 A42 A52 I55 V124	V39-I92 HydrophobicContact CG1-CD1 3.36Å; V39-I92 HydrophobicContact CG1-CG1 3.81Å; F40-I92 PolarHBondContact O-N 2.77Å; S41-I92 WeakPolarHBondContact CA-O 3.32Å; A42-I92 PolarHBondContact N-O 3.12Å; A42-I92 VanDerWaalsContact N-O 3.1Å; A52-I92 HydrophobicContact CB-CB 3.97Å; A52-I92 HydrophobicContact CB-CD1 3.89Å; A52-I92 HydrophobicContact CB-CG2 3.84Å; I55-I92 HydrophobicContact CB-CD1 4.04Å; I55-I92 HydrophobicContact CD1-CD1 3.87Å; I55-I92 HydrophobicContact CD1-CG2 4.5Å; I55-I92 HydrophobicContact CG2-CD1 3.87Å; I92-V124 WeakPolarHBondContact CA-O 3.14Å; I92-V124 HydrophobicContact CG1-CB 4.03Å; I92-V124 HydrophobicContact CG1-CG1 4.38Å; I92-V124 HydrophobicContact CG1-CG2 4.42Å
93	Q	98.1	Very high	95.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.213	C	C	.	.			trans	-129.4	115.1	174.3	-171	69.1	-38	0	0	111.4	A42 N43 I95 A102 E105 L106 V124 P126	A42-Q93 HydrophobicContact CB-CB 4.46Å; A42-Q93 HydrophobicContact CB-CG 4.5Å; N43-Q93 VanDerWaalsContact N-OE1 3.08Å; N43-Q93 PolarHBondContact ND2-OE1 2.72Å; N43-Q93 PolarHBondContact OD1-OE1 2.89Å; Q93-I95 HydrophobicContact CG-CD1 4.26Å; Q93-A102 PolarHBondContact NE2-O 2.96Å; Q93-E105 PolarHBondContact NE2-OE2 3.48Å; Q93-L106 HydrophobicContact CB-CB 4.5Å; Q93-L106 HydrophobicContact CB-CD1 4.05Å; Q93-L106 HydrophobicContact CB-CD2 4.26Å; Q93-L106 HydrophobicContact CB-CG 4.5Å; Q93-L106 HydrophobicContact CG-CB 4.09Å; Q93-L106 HydrophobicContact CG-CD2 4.31Å; Q93-V124 PolarHBondContact N-O 2.87Å; Q93-P126 VanDerWaalsContact O-CD 3.3Å; Q93-P126 WeakPolarHBondContact O-CD 3.34Å
94	T	97.3	Very high	96.1	Very high	1 Å²	1	42 Å²	42	1%	0.006	21%	0.206	C	C	.	.			trans	-93.3	157.2	164.5	65	0	0	0	0	110.1	N43 C48 L51 P96	N43-T94 PolarHBondContact ND2-O 2.99Å; N43-T94 PolarHBondContact OD1-N 3.3Å; N43-T94 VanDerWaalsContact OD1-N 3.07Å; N43-T94 PolarHBondContact OD1-OG1 3.39Å; N43-T94 VanDerWaalsContact OD1-OG1 3.08Å; C48-T94 WeakPolarHBondContact CB-OG1 3.26Å; C48-T94 PolarHBondContact O-OG1 3.12Å; L51-T94 HydrophobicContact CB-CG2 4.11Å; L51-T94 HydrophobicContact CD2-CG2 3.88Å; T94-P96 WeakPolarHBondContact O-CD 3.38Å
95	I	95.1	Very high	96.2	Very high	9 Å²	9	42.1 Å²	42.1	5%	0.046	21%	0.206	C	C	.	.			trans	-108	107.3	-174.9	-53	-58.6	0	0	0	109.7	Q93 V99 A102 Y127 P129	Q93-I95 HydrophobicContact CG-CD1 4.26Å; I95-V99 HydrophobicContact CG2-CB 3.99Å; I95-V99 HydrophobicContact CG2-CG2 3.75Å; I95-A102 HydrophobicContact CD1-CB 4.13Å; I95-Y127 HydrophobicContact CB-CD1 3.98Å; I95-Y127 HydrophobicContact CB-CE1 4.44Å; I95-Y127 HydrophobicContact CG1-CD1 4.02Å; I95-Y127 WeakPolarHBondContact CG1-O 3.45Å; I95-Y127 HydrophobicContact CG2-CE1 4.49Å; I95-P129 HydrophobicContact CD1-CB 4.28Å; I95-P129 HydrophobicContact CD1-CG 3.81Å; I95-P129 HydrophobicContact CG1-CB 4.18Å; I95-P129 HydrophobicContact CG1-CG 4.12Å; I95-P129 HydrophobicContact CG2-CB 4.4Å
96	P	90.9	Very high	96.3	Very high	39 Å²	39	33.9 Å²	33.9	25%	0.253	18%	0.175	S	C	.	.			trans	-74.2	-174	169.4	30.6	-34.2	0	0	0	112	T94 D98 A102	T94-P96 WeakPolarHBondContact O-CD 3.38Å; P96-D98 VanDerWaalsContact C-N 3.26Å; P96-D98 PolarHBondContact O-N 3.21Å; P96-A102 HydrophobicContact CG-CB 4.23Å
97	R	88.8	Confident	96.5	Very high	187 Å²	187	33.5 Å²	33.5	71%	0.706	17%	0.166	S	C	*	.	S	Bend	trans	-53.7	-41.1	176.1	-175.1	58.7	174.3	163.5	-5.5	113	V99	R97-V99 PolarHBondContact O-N 3.36Å; R97-V99 VanDerWaalsContact O-N 3.16Å
98	D	93.7	Very high	96.7	Very high	78 Å²	78	33.2 Å²	33.2	42%	0.417	17%	0.166	S	C	.	.			trans	-84.1	85.6	173.9	-171.9	-5.6	0	0	0	111	P96 N100 T101 A102	P96-D98 VanDerWaalsContact C-N 3.26Å; P96-D98 PolarHBondContact O-N 3.21Å; D98-N100 VanDerWaalsContact C-N 3.34Å; D98-N100 PolarHBondContact O-N 3.31Å; D98-N100 PolarHBondContact OD1-N 2.92Å; D98-T101 VanDerWaalsContact CG-CB 3.48Å; D98-T101 VanDerWaalsContact CG-OG1 3.23Å; D98-T101 PolarHBondContact OD1-N 3.18Å; D98-T101 VanDerWaalsContact OD1-N 3.14Å; D98-T101 PolarHBondContact OD1-OG1 2.65Å; D98-T101 VanDerWaalsContact OD2-CB 3.23Å; D98-T101 WeakPolarHBondContact OD2-CB 3.34Å; D98-T101 PolarHBondContact OD2-OG1 3.19Å; D98-A102 PolarHBondContact O-N 3.4Å
99	V	96.1	Very high	96.8	Very high	39 Å²	39	31.6 Å²	31.6	24%	0.236	16%	0.157	C	C	.	.	H	α-helix	trans	-65.5	-34.6	-179.4	62.8	0	0	0	0	113.1	I95 R97 A102 V103 P129 Y130	I95-V99 HydrophobicContact CG2-CB 3.99Å; I95-V99 HydrophobicContact CG2-CG2 3.75Å; R97-V99 PolarHBondContact O-N 3.36Å; R97-V99 VanDerWaalsContact O-N 3.16Å; V99-A102 PolarHBondContact O-N 2.93Å; V99-V103 HydrophobicContact CG2-CG2 4.49Å; V99-V103 WeakPolarHBondContact O-CG2 3.41Å; V99-V103 PolarHBondContact O-N 3.25Å; V99-P129 HydrophobicContact CG2-CB 3.49Å; V99-P129 VanDerWaalsContact CG2-CB 3.49Å; V99-P129 HydrophobicContact CG2-CG 4.44Å; V99-Y130 HydrophobicContact CG1-CE2 4.48Å; V99-Y130 HydrophobicContact CG2-CD2 4.4Å; V99-Y130 HydrophobicContact CG2-CE2 3.81Å
100	N	97.4	Very high	96.9	Very high	99 Å²	99	31.6 Å²	31.6	53%	0.529	16%	0.157	S	C	.	.	H	α-helix	trans	-69.6	-46.6	-176.1	-75.3	-49.4	0	0	0	110.6	D98 A102 V103 M104 Y130	D98-N100 VanDerWaalsContact C-N 3.34Å; D98-N100 PolarHBondContact O-N 3.31Å; D98-N100 PolarHBondContact OD1-N 2.92Å; N100-A102 VanDerWaalsContact C-N 3.33Å; N100-A102 PolarHBondContact O-N 3.47Å; N100-V103 PolarHBondContact O-N 3.01Å; N100-M104 WeakPolarHBondContact O-CG 3.34Å; N100-M104 PolarHBondContact O-N 3.44Å; N100-Y130 PolarHBondContact OD1-OH 2.83Å
101	T	97.1	Very high	96.9	Very high	23 Å²	23	38.2 Å²	38.2	14%	0.141	18%	0.183	C	C	.	.	H	α-helix	trans	-59.6	-45.9	175.3	-66.3	0	0	0	0	110.7	Q70 D98 V103 M104 E105	Q70-T101 HydrophobicContact CG-CG2 4.48Å; Q70-T101 PolarHBondContact NE2-OG1 2.88Å; Q70-T101 VanDerWaalsContact NE2-OG1 3.13Å; D98-T101 VanDerWaalsContact CG-CB 3.48Å; D98-T101 VanDerWaalsContact CG-OG1 3.23Å; D98-T101 PolarHBondContact OD1-N 3.18Å; D98-T101 VanDerWaalsContact OD1-N 3.14Å; D98-T101 PolarHBondContact OD1-OG1 2.65Å; D98-T101 VanDerWaalsContact OD2-CB 3.23Å; D98-T101 WeakPolarHBondContact OD2-CB 3.34Å; D98-T101 PolarHBondContact OD2-OG1 3.19Å; T101-V103 VanDerWaalsContact C-N 3.3Å; T101-V103 PolarHBondContact O-N 3.5Å; T101-M104 CarbonylContact O-C 3.53Å; T101-M104 PolarHBondContact O-N 2.83Å; T101-E105 HydrophobicContact CG2-CG 4.2Å; T101-E105 WeakPolarHBondContact O-CG 3.26Å; T101-E105 PolarHBondContact O-N 3.28Å
102	A	97.4	Very high	96.9	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.008	20%	0.195	C	C	.	.	H	α-helix	trans	-61.9	-36.3	178.5	0	0	0	0	0	113	Q93 I95 P96 D98 V99 N100 L106	Q93-A102 PolarHBondContact NE2-O 2.96Å; I95-A102 HydrophobicContact CD1-CB 4.13Å; P96-A102 HydrophobicContact CG-CB 4.23Å; D98-A102 PolarHBondContact O-N 3.4Å; V99-A102 PolarHBondContact O-N 2.93Å; N100-A102 VanDerWaalsContact C-N 3.33Å; N100-A102 PolarHBondContact O-N 3.47Å; A102-L106 WeakPolarHBondContact O-CB 3.34Å; A102-L106 PolarHBondContact O-N 3.31Å
103	V	98.1	Very high	96.9	Very high	13 Å²	13	39.6 Å²	39.6	8%	0.079	20%	0.195	C	C	.	.	H	α-helix	trans	-65.4	-42.9	172.6	167.1	0	0	0	0	110.9	V99 N100 T101 L106 L107 P129 Y130 L147	V99-V103 HydrophobicContact CG2-CG2 4.49Å; V99-V103 WeakPolarHBondContact O-CG2 3.41Å; V99-V103 PolarHBondContact O-N 3.25Å; N100-V103 PolarHBondContact O-N 3.01Å; T101-V103 VanDerWaalsContact C-N 3.3Å; T101-V103 PolarHBondContact O-N 3.5Å; V103-L106 PolarHBondContact O-N 2.89Å; V103-L107 HydrophobicContact CG1-CD1 3.74Å; V103-L107 HydrophobicContact CG1-CG 4.31Å; V103-L107 WeakPolarHBondContact O-CB 3.3Å; V103-L107 VanDerWaalsContact O-CG 3.26Å; V103-L107 WeakPolarHBondContact O-CG 3.42Å; V103-L107 PolarHBondContact O-N 3.18Å; V103-P129 HydrophobicContact CG2-CB 4.5Å; V103-P129 HydrophobicContact CG2-CG 3.85Å; V103-Y130 HydrophobicContact CG2-CE2 4.32Å; V103-L147 HydrophobicContact CG1-CD1 3.53Å; V103-L147 HydrophobicContact CG2-CD1 4.16Å
104	M	98.3	Very high	96.9	Very high	92 Å²	92	44.5 Å²	44.5	45%	0.453	22%	0.216	S	C	.	.	H	α-helix	trans	-66.6	-43.4	178.2	-69.8	-56.7	-62.4	0	0	112.7	N100 T101 L106 L107 I108	N100-M104 WeakPolarHBondContact O-CG 3.34Å; N100-M104 PolarHBondContact O-N 3.44Å; T101-M104 CarbonylContact O-C 3.53Å; T101-M104 PolarHBondContact O-N 2.83Å; M104-L106 VanDerWaalsContact C-N 3.28Å; M104-L106 PolarHBondContact O-N 3.43Å; M104-L107 PolarHBondContact O-N 3.03Å; M104-L107 HydrophobicContact SD-CD1 4.2Å; M104-I108 HydrophobicContact CE-CD1 4.34Å; M104-I108 WeakPolarHBondContact O-CB 3.4Å; M104-I108 WeakPolarHBondContact O-CD1 3.47Å; M104-I108 WeakPolarHBondContact O-CG1 3.29Å; M104-I108 PolarHBondContact O-N 2.99Å
105	E	98.2	Very high	96.9	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.009	24%	0.243	C	C	.	.	H	α-helix	trans	-52.4	-47.6	172.8	-74.4	175	166	0	0	111.3	A42 S44 V68 T76 Q93 T101 M109	A42-E105 WeakPolarHBondContact O-CB 3.44Å; S44-E105 WeakPolarHBondContact CB-OE1 3.47Å; S44-E105 PolarHBondContact N-OE1 3.33Å; S44-E105 PolarHBondContact OG-OE1 2.99Å; V68-E105 HydrophobicContact CG1-CB 4.34Å; V68-E105 HydrophobicContact CG1-CG 3.78Å; T76-E105 HydrophobicContact CG2-CB 4.26Å; T76-E105 HydrophobicContact CG2-CG 3.53Å; Q93-E105 PolarHBondContact NE2-OE2 3.48Å; T101-E105 HydrophobicContact CG2-CG 4.2Å; T101-E105 WeakPolarHBondContact O-CG 3.26Å; T101-E105 PolarHBondContact O-N 3.28Å; E105-M109 VanDerWaalsContact O-CB 3.25Å; E105-M109 WeakPolarHBondContact O-CB 3.44Å; E105-M109 PolarHBondContact O-N 3.45Å
106	L	98.4	Very high	97	Very high	6 Å²	6	50.3 Å²	50.3	3%	0.031	26%	0.256	C	S	.	.	H	α-helix	trans	-65.4	-47	178.7	177.5	61.3	0	0	0	112.5	I91 Q93 A102 V103 M104 M109 A110 I125 L151	I91-L106 HydrophobicContact CB-CD1 4.27Å; I91-L106 HydrophobicContact CD1-CD1 4.46Å; I91-L106 HydrophobicContact CG2-CD1 3.62Å; Q93-L106 HydrophobicContact CB-CB 4.5Å; Q93-L106 HydrophobicContact CB-CD1 4.05Å; Q93-L106 HydrophobicContact CB-CD2 4.26Å; Q93-L106 HydrophobicContact CB-CG 4.5Å; Q93-L106 HydrophobicContact CG-CB 4.09Å; Q93-L106 HydrophobicContact CG-CD2 4.31Å; A102-L106 WeakPolarHBondContact O-CB 3.34Å; A102-L106 PolarHBondContact O-N 3.31Å; V103-L106 PolarHBondContact O-N 2.89Å; M104-L106 VanDerWaalsContact C-N 3.28Å; M104-L106 PolarHBondContact O-N 3.43Å; L106-M109 PolarHBondContact O-N 3.3Å; L106-A110 VanDerWaalsContact O-CB 3.28Å; L106-A110 WeakPolarHBondContact O-CB 3.35Å; L106-A110 PolarHBondContact O-N 3.28Å; L106-I125 HydrophobicContact CD2-CD1 3.44Å; L106-I125 VanDerWaalsContact CD2-CD1 3.44Å; L106-I125 HydrophobicContact CD2-CG1 4.09Å; L106-L151 HydrophobicContact CD2-CD2 3.66Å; L106-L151 HydrophobicContact CG-CD2 4.07Å
107	L	98.7	Very high	97.3	Very high	21 Å²	21	51.4 Å²	51.4	11%	0.11	26%	0.264	C	S	.	.	H	α-helix	trans	-62.4	-44.2	179.7	-72	169.4	0	0	0	111.3	V103 M104 Y111 M150 L151 A154	V103-L107 HydrophobicContact CG1-CD1 3.74Å; V103-L107 HydrophobicContact CG1-CG 4.31Å; V103-L107 WeakPolarHBondContact O-CB 3.3Å; V103-L107 VanDerWaalsContact O-CG 3.26Å; V103-L107 WeakPolarHBondContact O-CG 3.42Å; V103-L107 PolarHBondContact O-N 3.18Å; M104-L107 PolarHBondContact O-N 3.03Å; M104-L107 HydrophobicContact SD-CD1 4.2Å; L107-Y111 WeakPolarHBondContact O-CB 3.43Å; L107-Y111 PolarHBondContact O-N 2.83Å; L107-M150 HydrophobicContact CD1-CB 4.38Å; L107-M150 HydrophobicContact CD2-CB 4.01Å; L107-L151 HydrophobicContact CD2-CD2 3.86Å; L107-L151 HydrophobicContact CD2-CG 4.34Å; L107-A154 HydrophobicContact CB-CB 4.43Å; L107-A154 HydrophobicContact CD2-CB 3.62Å
108	I	98.6	Very high	97.8	Very high	53 Å²	53	43.3 Å²	43.3	27%	0.272	24%	0.237	S	C	.	.	H	α-helix	trans	-67.4	-44.2	179.4	-64.8	166.7	0	0	0	110.1	T76 V78 M104 A110 Y111 A112	T76-I108 HydrophobicContact CG2-CD1 4Å; V78-I108 HydrophobicContact CB-CG2 3.89Å; V78-I108 HydrophobicContact CG2-CB 4.09Å; V78-I108 HydrophobicContact CG2-CG2 3.76Å; M104-I108 HydrophobicContact CE-CD1 4.34Å; M104-I108 WeakPolarHBondContact O-CB 3.4Å; M104-I108 WeakPolarHBondContact O-CD1 3.47Å; M104-I108 WeakPolarHBondContact O-CG1 3.29Å; M104-I108 PolarHBondContact O-N 2.99Å; I108-A110 PolarHBondContact O-N 2.77Å; I108-Y111 PolarHBondContact O-N 3.07Å; I108-A112 WeakPolarHBondContact O-CB 3.49Å; I108-A112 PolarHBondContact O-N 2.74Å
109	M	98.6	Very high	97.9	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.2	-46	176.8	-176.6	168.3	-73.5	0	0	111.8	F40 S41 A42 V68 V78 I80 I91 E105 L106 Y111 A112 L113	F40-M109 HydrophobicContact CB-SD 3.92Å; S41-M109 WeakPolarHBondContact O-CE 3.31Å; A42-M109 HydrophobicContact CB-CB 4.33Å; A42-M109 HydrophobicContact CB-CE 4.08Å; A42-M109 HydrophobicContact CB-SD 3.7Å; V68-M109 HydrophobicContact CG2-CE 3.54Å; V78-M109 HydrophobicContact CG1-CB 3.97Å; V78-M109 HydrophobicContact CG1-CE 3.63Å; V78-M109 HydrophobicContact CG1-CG 4.15Å; V78-M109 HydrophobicContact CG2-CB 4.37Å; I80-M109 HydrophobicContact CD1-CE 4.37Å; I80-M109 HydrophobicContact CD1-CG 4.24Å; I91-M109 HydrophobicContact CD1-CG 4.15Å; I91-M109 HydrophobicContact CG1-CG 4.46Å; I91-M109 HydrophobicContact CG1-SD 4.43Å; I91-M109 HydrophobicContact CG2-CG 4.36Å; I91-M109 HydrophobicContact CG2-SD 3.7Å; E105-M109 VanDerWaalsContact O-CB 3.25Å; E105-M109 WeakPolarHBondContact O-CB 3.44Å; E105-M109 PolarHBondContact O-N 3.45Å; L106-M109 PolarHBondContact O-N 3.3Å; M109-Y111 VanDerWaalsContact C-N 3.33Å; M109-Y111 PolarHBondContact O-N 3.28Å; M109-A112 PolarHBondContact O-N 2.76Å; M109-L113 HydrophobicContact CG-CD1 3.94Å; M109-L113 VanDerWaalsContact O-CG 3.29Å; M109-L113 WeakPolarHBondContact O-CG 3.43Å; M109-L113 PolarHBondContact O-N 2.81Å
110	A	98.6	Very high	97.9	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-58.9	-44.9	175.7	0	0	0	0	0	112.1	I91 L106 I108 L113 K114 I121 A154 L156	I91-A110 HydrophobicContact CD1-CB 4.02Å; L106-A110 VanDerWaalsContact O-CB 3.28Å; L106-A110 WeakPolarHBondContact O-CB 3.35Å; L106-A110 PolarHBondContact O-N 3.28Å; I108-A110 PolarHBondContact O-N 2.77Å; A110-L113 PolarHBondContact O-N 2.85Å; A110-K114 WeakPolarHBondContact O-CB 3.41Å; A110-K114 PolarHBondContact O-N 2.87Å; A110-I121 HydrophobicContact CB-CG2 4.47Å; A110-A154 HydrophobicContact CB-CB 4.15Å; A110-L156 HydrophobicContact CB-CD1 3.3Å
111	Y	98.6	Very high	98	Very high	140 Å²	140	43.9 Å²	43.9	55%	0.549	23%	0.226	S	C	.	.	H	α-helix	trans	-67.5	-36.2	179.4	-167.5	-105.5	0	0	0	112.8	L107 I108 M109 K114 T115 A154	L107-Y111 WeakPolarHBondContact O-CB 3.43Å; L107-Y111 PolarHBondContact O-N 2.83Å; I108-Y111 PolarHBondContact O-N 3.07Å; M109-Y111 VanDerWaalsContact C-N 3.33Å; M109-Y111 PolarHBondContact O-N 3.28Å; Y111-K114 PolarHBondContact O-N 2.81Å; Y111-T115 WeakPolarHBondContact O-CB 3.39Å; Y111-T115 PolarHBondContact O-N 3.38Å; Y111-T115 PolarHBondContact O-OG1 3.11Å; Y111-A154 WeakPolarHBondContact CA-O 3.45Å
112	A	98.4	Very high	98	Very high	29 Å²	29	43 Å²	43	24%	0.24	22%	0.221	C	C	.	.	H	α-helix	trans	-63.9	-45.1	173.5	0	0	0	0	0	111.5	I80 I108 M109 K114 T115 A116	I80-A112 HydrophobicContact CG1-CB 4.36Å; I108-A112 WeakPolarHBondContact O-CB 3.49Å; I108-A112 PolarHBondContact O-N 2.74Å; M109-A112 PolarHBondContact O-N 2.76Å; A112-K114 PolarHBondContact O-N 3.31Å; A112-T115 PolarHBondContact O-N 3.43Å; A112-A116 WeakPolarHBondContact O-CB 3.42Å; A112-A116 PolarHBondContact O-N 3.1Å
113	L	98.3	Very high	98.1	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-65.1	-38.4	177.2	-70.1	166.4	0	0	0	112.2	F40 I80 V84 I89 I91 M109 A110 A116 C117 A118 I121	F40-L113 HydrophobicContact CE2-CD2 4.4Å; I80-L113 HydrophobicContact CD1-CD2 4.19Å; I80-L113 HydrophobicContact CD1-CG 4.42Å; I80-L113 HydrophobicContact CG1-CD2 4.1Å; I80-L113 HydrophobicContact CG1-CG 4.45Å; I80-L113 HydrophobicContact CG2-CD2 4.37Å; V84-L113 HydrophobicContact CB-CD2 4.09Å; V84-L113 HydrophobicContact CG1-CD2 3.75Å; V84-L113 HydrophobicContact CG2-CD2 3.81Å; I89-L113 HydrophobicContact CG1-CD2 4.49Å; I89-L113 HydrophobicContact CG2-CD1 3.77Å; I89-L113 HydrophobicContact CG2-CD2 4.12Å; I91-L113 HydrophobicContact CD1-CD1 3.49Å; I91-L113 VanDerWaalsContact CD1-CD1 3.49Å; I91-L113 HydrophobicContact CG1-CD1 3.58Å; M109-L113 HydrophobicContact CG-CD1 3.94Å; M109-L113 VanDerWaalsContact O-CG 3.29Å; M109-L113 WeakPolarHBondContact O-CG 3.43Å; M109-L113 PolarHBondContact O-N 2.81Å; A110-L113 PolarHBondContact O-N 2.85Å; L113-A116 CarbonylContact O-C 3.48Å; L113-A116 PolarHBondContact O-N 2.79Å; L113-C117 PolarHBondContact O-N 2.98Å; L113-A118 HydrophobicContact CB-CB 4.36Å; L113-A118 VanDerWaalsContact O-CB 3.29Å; L113-A118 WeakPolarHBondContact O-CB 3.36Å; L113-A118 PolarHBondContact O-N 3.32Å; L113-I121 HydrophobicContact CB-CD1 3.89Å; L113-I121 HydrophobicContact CB-CG1 4.38Å
114	K	98.2	Very high	98.1	Very high	102 Å²	102	42.4 Å²	42.4	44%	0.443	22%	0.217	S	C	.	.	H	α-helix	trans	-62.5	-47.4	173.3	177.3	177.1	174.6	177.1	0	111.3	A110 Y111 A112 A116 C117 I121 K153 A154	A110-K114 WeakPolarHBondContact O-CB 3.41Å; A110-K114 PolarHBondContact O-N 2.87Å; Y111-K114 PolarHBondContact O-N 2.81Å; A112-K114 PolarHBondContact O-N 3.31Å; K114-A116 PolarHBondContact O-N 3.36Å; K114-C117 PolarHBondContact O-N 2.92Å; K114-I121 HydrophobicContact CB-CD1 3.78Å; K114-K153 PolarHBondContact NZ-O 2.88Å; K114-A154 WeakPolarHBondContact CD-O 3.25Å
115	T	98	Very high	98.1	Very high	94 Å²	94	38 Å²	38	58%	0.577	20%	0.196	S	C	*	.	H	α-helix	trans	-61.3	-34.7	177	-56.1	0	0	0	0	111.5	Y111 A112 C117	Y111-T115 WeakPolarHBondContact O-CB 3.39Å; Y111-T115 PolarHBondContact O-N 3.38Å; Y111-T115 PolarHBondContact O-OG1 3.11Å; A112-T115 PolarHBondContact O-N 3.43Å; T115-C117 PolarHBondContact O-N 3.45Å
116	A	97.4	Very high	98.1	Very high	38 Å²	38	38 Å²	38	31%	0.314	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	10	174	0	0	0	0	0	114.5	V84 A112 L113 K114 A118	V84-A116 HydrophobicContact CG2-CB 3.4Å; V84-A116 VanDerWaalsContact CG2-CB 3.4Å; A112-A116 WeakPolarHBondContact O-CB 3.42Å; A112-A116 PolarHBondContact O-N 3.1Å; L113-A116 CarbonylContact O-C 3.48Å; L113-A116 PolarHBondContact O-N 2.79Å; K114-A116 PolarHBondContact O-N 3.36Å; A116-A118 PolarHBondContact O-N 2.8Å
117	C	97.3	Very high	98.1	Very high	63 Å²	63	38.6 Å²	38.6	43%	0.426	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	37.7	177.3	-49.6	0	0	0	0	114.1	R85 G86 L113 K114 T115	R85-C117 HydrophobicContact CG-CB 4.26Å; G86-C117 PolarHBondContact N-O 3.37Å; L113-C117 PolarHBondContact O-N 2.98Å; K114-C117 PolarHBondContact O-N 2.92Å; T115-C117 PolarHBondContact O-N 3.45Å
118	A	97.6	Very high	98.1	Very high	17 Å²	17	37.8 Å²	37.8	14%	0.14	19%	0.193	C	C	.	.			trans	-56.3	142.8	164.8	0	0	0	0	0	110.3	I89 L113 A116 I121	I89-A118 HydrophobicContact CG1-CB 3.78Å; L113-A118 HydrophobicContact CB-CB 4.36Å; L113-A118 VanDerWaalsContact O-CB 3.29Å; L113-A118 WeakPolarHBondContact O-CB 3.36Å; L113-A118 PolarHBondContact O-N 3.32Å; A116-A118 PolarHBondContact O-N 2.8Å; A118-I121 HydrophobicContact CB-CD1 4.17Å; A118-I121 HydrophobicContact CB-CG1 3.83Å
119	R	96.2	Very high	98	Very high	159 Å²	159	35.5 Å²	35.5	60%	0.6	18%	0.181	S	C	*	.	S	Bend	trans	-75.9	-52.4	-178.7	-175.5	-167.7	-56.6	166.6	0.5	110.8	G86 Q87 D88	G86-R119 VanDerWaalsContact O-CZ 3.22Å; G86-R119 PolarHBondContact O-NE 3Å; G86-R119 VanDerWaalsContact O-NE 3.12Å; G86-R119 PolarHBondContact O-NH2 3.31Å; Q87-R119 PolarHBondContact O-N 2.87Å; D88-R119 WeakPolarHBondContact OD1-CD 3.22Å; D88-R119 IonicContact OD2-NH1 2.72Å
120	N	97.2	Very high	98	Very high	63 Å²	63	37.8 Å²	37.8	34%	0.337	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	141.9	175.5	-68.6	-68.5	0	0	0	109.2	D88 I89 I122	D88-N120 HydrophobicContact CB-CB 4.4Å; D88-N120 WeakPolarHBondContact OD1-CB 3.3Å; D88-N120 PolarHBondContact OD1-ND2 2.95Å; I89-N120 PolarHBondContact N-O 3.06Å; N120-I122 HydrophobicContact CB-CD1 3.83Å
121	I	98.4	Very high	97.9	Very high	5 Å²	5	37.9 Å²	37.9	3%	0.026	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	100.7	179	-55.6	174.8	0	0	0	107.1	I91 A110 L113 K114 A118 L156 T157	I91-I121 HydrophobicContact CD1-CG2 3.57Å; I91-I121 HydrophobicContact CG1-CG2 4.25Å; A110-I121 HydrophobicContact CB-CG2 4.47Å; L113-I121 HydrophobicContact CB-CD1 3.89Å; L113-I121 HydrophobicContact CB-CG1 4.38Å; K114-I121 HydrophobicContact CB-CD1 3.78Å; A118-I121 HydrophobicContact CB-CD1 4.17Å; A118-I121 HydrophobicContact CB-CG1 3.83Å; I121-L156 HydrophobicContact CG2-CD1 4.23Å; I121-L156 WeakPolarHBondContact O-CA 3.36Å; I121-T157 PolarHBondContact N-OG1 3.12Å; I121-T157 PolarHBondContact O-N 3.46Å; I121-T157 PolarHBondContact O-OG1 2.9Å
122	I	98.6	Very high	97.6	Very high	6 Å²	6	36 Å²	36	3%	0.031	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	115.4	-177.2	-56.1	90.4	0	0	0	108.5	I89 F90 I91 N120 H158 I160	I89-I122 WeakPolarHBondContact O-CD1 3.48Å; I89-I122 PolarHBondContact O-N 3.49Å; F90-I122 CarbonylContact C-O 3.54Å; F90-I122 WeakPolarHBondContact CA-O 3.08Å; F90-I122 HydrophobicContact CD1-CB 3.61Å; F90-I122 HydrophobicContact CD1-CD1 4.29Å; F90-I122 HydrophobicContact CD1-CG1 4.21Å; F90-I122 HydrophobicContact CD1-CG2 3.72Å; F90-I122 HydrophobicContact CE1-CB 3.83Å; F90-I122 HydrophobicContact CE1-CD1 4Å; F90-I122 HydrophobicContact CE1-CG1 3.95Å; F90-I122 HydrophobicContact CE1-CG2 3.86Å; F90-I122 HydrophobicContact CG-CB 4.38Å; F90-I122 HydrophobicContact CZ-CD1 4.13Å; I91-I122 PolarHBondContact N-O 3.46Å; N120-I122 HydrophobicContact CB-CD1 3.83Å; I122-H158 CarbonylContact C-O 3.58Å; I122-H158 WeakPolarHBondContact CA-O 3.39Å; I122-H158 HydrophobicContact CB-CB 4.41Å; I122-H158 HydrophobicContact CG1-CB 3.96Å; I122-H158 HydrophobicContact CG2-CB 4.13Å; I122-I160 HydrophobicContact CG2-CD1 4.12Å; I122-I160 HydrophobicContact CG2-CG1 3.93Å
123	G	98.4	Very high	97.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	116.7	173.1	0	0	0	0	0	110.8	H158 I159 I160	G123-H158 PolarHBondContact N-O 3.1Å; G123-I159 CarbonylContact O-C 3.6Å; G123-I159 WeakPolarHBondContact O-CA 3.47Å; G123-I159 WeakPolarHBondContact O-CG1 3.41Å; G123-I160 PolarHBondContact O-N 3.43Å
124	V	98.6	Very high	97.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	98.6	170.5	-173.9	0	0	0	0	107.2	F90 I91 I92 Q93 P126 I160 L361 I365	F90-V124 HydrophobicContact CB-CG2 4.35Å; F90-V124 HydrophobicContact CD1-CG2 4.19Å; I91-V124 PolarHBondContact O-N 3.07Å; I92-V124 WeakPolarHBondContact CA-O 3.14Å; I92-V124 HydrophobicContact CG1-CB 4.03Å; I92-V124 HydrophobicContact CG1-CG1 4.38Å; I92-V124 HydrophobicContact CG1-CG2 4.42Å; Q93-V124 PolarHBondContact N-O 2.87Å; V124-P126 WeakPolarHBondContact O-CD 3.46Å; V124-I160 CarbonylContact C-O 3.55Å; V124-I160 WeakPolarHBondContact CA-O 3.36Å; V124-I160 HydrophobicContact CG1-CB 4.48Å; V124-I160 HydrophobicContact CG2-CB 4.42Å; V124-I160 HydrophobicContact CG2-CD1 4Å; V124-I160 HydrophobicContact CG2-CG1 4.48Å; V124-L361 HydrophobicContact CG1-CD2 4.12Å; V124-I365 HydrophobicContact CG2-CD1 4.04Å; V124-I365 HydrophobicContact CG2-CG1 4.06Å
125	I	98.5	Very high	96.9	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	84.6	-172.7	-47.6	177.1	0	0	0	107.8	L106 Y127 F128 L151 I159 I160 T161	L106-I125 HydrophobicContact CD2-CD1 3.44Å; L106-I125 VanDerWaalsContact CD2-CD1 3.44Å; L106-I125 HydrophobicContact CD2-CG1 4.09Å; I125-Y127 VanDerWaalsContact C-N 3.34Å; I125-Y127 WeakPolarHBondContact CG2-O 3.36Å; I125-Y127 PolarHBondContact O-N 2.65Å; I125-F128 HydrophobicContact CD1-CD2 4.38Å; I125-F128 HydrophobicContact CD1-CE2 4.31Å; I125-F128 HydrophobicContact CG2-CD2 4.21Å; I125-L151 HydrophobicContact CD1-CD1 4.2Å; I125-I159 HydrophobicContact CB-CD1 4.27Å; I125-I159 HydrophobicContact CB-CG1 4.49Å; I125-I159 HydrophobicContact CD1-CD1 3.67Å; I125-I159 HydrophobicContact CD1-CG1 4.12Å; I125-I159 HydrophobicContact CG1-CD1 4.21Å; I125-I159 HydrophobicContact CG1-CG1 4.27Å; I125-I160 PolarHBondContact N-O 3.07Å; I125-T161 WeakPolarHBondContact O-CA 3.4Å; I125-T161 VanDerWaalsContact O-CB 3.26Å; I125-T161 WeakPolarHBondContact O-CB 3.48Å; I125-T161 PolarHBondContact O-OG1 3.45Å
126	P	98.1	Very high	96.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.195	C	C	.	.	S	Bend	trans	-58.8	-43.2	-169.5	-25.5	35.6	0	0	0	113	L51 Q93 V124 M162 H315 T339 L361	L51-P126 HydrophobicContact CD2-CB 4.22Å; L51-P126 HydrophobicContact CD2-CG 3.61Å; Q93-P126 VanDerWaalsContact O-CD 3.3Å; Q93-P126 WeakPolarHBondContact O-CD 3.34Å; V124-P126 WeakPolarHBondContact O-CD 3.46Å; P126-M162 PolarHBondContact O-N 2.91Å; P126-H315 PolarHBondContact O-CE1 2.89Å; P126-H315 VanDerWaalsContact O-CE1 3.29Å; P126-T339 HydrophobicContact CB-CG2 3.84Å; P126-L361 HydrophobicContact CB-CD1 4.14Å; P126-L361 HydrophobicContact CG-CD1 3.73Å
127	Y	98.3	Very high	95.7	Very high	20 Å²	20	46.1 Å²	46.1	8%	0.078	21%	0.211	C	C	.	.	S	Bend	trans	-108.1	115.7	167.3	167.3	-118.1	0	0	0	109.6	I95 I125 P129 I287 H315 I317 V340	I95-Y127 HydrophobicContact CB-CD1 3.98Å; I95-Y127 HydrophobicContact CB-CE1 4.44Å; I95-Y127 HydrophobicContact CG1-CD1 4.02Å; I95-Y127 WeakPolarHBondContact CG1-O 3.45Å; I95-Y127 HydrophobicContact CG2-CE1 4.49Å; I125-Y127 VanDerWaalsContact C-N 3.34Å; I125-Y127 WeakPolarHBondContact CG2-O 3.36Å; I125-Y127 PolarHBondContact O-N 2.65Å; Y127-P129 WeakPolarHBondContact O-CD 3.38Å; Y127-I287 HydrophobicContact CE2-CD1 3.94Å; Y127-I287 HydrophobicContact CE2-CG1 4.26Å; Y127-H315 HydrophobicContact CD2-CB 3.95Å; Y127-H315 AromaticContact CD2-CD2 3.78Å; Y127-H315 AromaticContact CD2-CG 3.54Å; Y127-H315 AromaticContact CD2-ND1 3.76Å; Y127-H315 HydrophobicContact CG-CB 4.46Å; Y127-I317 HydrophobicContact CE1-CD1 3.69Å; Y127-I317 HydrophobicContact CE1-CG1 4.21Å; Y127-I317 HydrophobicContact CE2-CD1 4.01Å; Y127-I317 VanDerWaalsContact OH-CD1 3.23Å; Y127-I317 WeakPolarHBondContact OH-CD1 3.2Å; Y127-V340 HydrophobicContact CD1-CG2 3.71Å; Y127-V340 HydrophobicContact CG-CG2 3.71Å
128	F	98.3	Very high	95.1	Very high	4 Å²	4	49.6 Å²	49.6	2%	0.018	22%	0.218	C	C	.	.			trans	-79.3	116.3	178.9	-164.8	-106.6	0	0	0	111.2	I125 S131 L147 L151 I159 L164 F173	I125-F128 HydrophobicContact CD1-CD2 4.38Å; I125-F128 HydrophobicContact CD1-CE2 4.31Å; I125-F128 HydrophobicContact CG2-CD2 4.21Å; F128-S131 WeakPolarHBondContact O-CB 3.47Å; F128-S131 PolarHBondContact O-OG 3.21Å; F128-L147 HydrophobicContact CE1-CD2 3.95Å; F128-L147 HydrophobicContact CE1-CG 4.49Å; F128-L147 HydrophobicContact CE2-CD2 4.25Å; F128-L147 HydrophobicContact CZ-CD2 3.69Å; F128-L147 HydrophobicContact CZ-CG 3.95Å; F128-L151 HydrophobicContact CE2-CD1 3.6Å; F128-L151 HydrophobicContact CZ-CD1 3.91Å; F128-I159 HydrophobicContact CD2-CD1 3.68Å; F128-I159 HydrophobicContact CE2-CD1 3.69Å; F128-L164 HydrophobicContact CB-CD2 3.67Å; F128-L164 HydrophobicContact CD1-CD2 4.33Å; F128-L164 HydrophobicContact CG-CD2 4.12Å; F128-F173 HydrophobicContact CD2-CZ 4.19Å; F128-F173 AromaticContact CE1-CZ 3.93Å; F128-F173 HydrophobicContact CE1-CZ 3.93Å; F128-F173 AromaticContact CE2-CE1 3.93Å; F128-F173 HydrophobicContact CE2-CE1 3.93Å; F128-F173 AromaticContact CE2-CZ 3.54Å; F128-F173 HydrophobicContact CE2-CZ 3.54Å; F128-F173 AromaticContact CZ-CE1 3.85Å; F128-F173 HydrophobicContact CZ-CE1 3.85Å; F128-F173 HydrophobicContact CZ-CE2 4.46Å; F128-F173 AromaticContact CZ-CZ 3.39Å; F128-F173 HydrophobicContact CZ-CZ 3.39Å
129	P	97.4	Very high	94.3	Very high	4 Å²	4	58 Å²	58	3%	0.026	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	159.7	-176.3	29	-32.3	0	0	0	111.5	I95 V99 V103 Y127 S131 L147	I95-P129 HydrophobicContact CD1-CB 4.28Å; I95-P129 HydrophobicContact CD1-CG 3.81Å; I95-P129 HydrophobicContact CG1-CB 4.18Å; I95-P129 HydrophobicContact CG1-CG 4.12Å; I95-P129 HydrophobicContact CG2-CB 4.4Å; V99-P129 HydrophobicContact CG2-CB 3.49Å; V99-P129 VanDerWaalsContact CG2-CB 3.49Å; V99-P129 HydrophobicContact CG2-CG 4.44Å; V103-P129 HydrophobicContact CG2-CB 4.5Å; V103-P129 HydrophobicContact CG2-CG 3.85Å; Y127-P129 WeakPolarHBondContact O-CD 3.38Å; P129-S131 PolarHBondContact O-N 3.37Å; P129-L147 HydrophobicContact CG-CD2 3.74Å; P129-L147 WeakPolarHBondContact O-CD2 3.42Å
130	Y	97.4	Very high	93.8	Very high	48 Å²	48	52.1 Å²	52.1	19%	0.188	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	10	-174.6	-60.3	-89.5	0	0	0	115.2	V99 N100 V103 K132 Q133 V143 C144 L147	V99-Y130 HydrophobicContact CG1-CE2 4.48Å; V99-Y130 HydrophobicContact CG2-CD2 4.4Å; V99-Y130 HydrophobicContact CG2-CE2 3.81Å; N100-Y130 PolarHBondContact OD1-OH 2.83Å; V103-Y130 HydrophobicContact CG2-CE2 4.32Å; Y130-K132 VanDerWaalsContact C-N 3.31Å; Y130-K132 PolarHBondContact O-N 3.47Å; Y130-Q133 CarbonylContact O-C 3.53Å; Y130-Q133 WeakPolarHBondContact O-CA 3.46Å; Y130-Q133 WeakPolarHBondContact O-CB 3.17Å; Y130-Q133 PolarHBondContact O-N 2.95Å; Y130-V143 HydrophobicContact CD1-CB 4.28Å; Y130-V143 HydrophobicContact CD1-CG1 3.53Å; Y130-V143 HydrophobicContact CE1-CG1 4.09Å; Y130-V143 HydrophobicContact CG-CG1 3.92Å; Y130-C144 WeakPolarHBondContact O-CB 3.24Å; Y130-L147 HydrophobicContact CD2-CD2 4.08Å
131	S	96.2	Very high	93.6	Very high	3 Å²	3	52.7 Å²	52.7	2%	0.021	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-62	-32.6	-179.3	52.6	0	0	0	0	113.8	F128 P129 Q133 S134	F128-S131 WeakPolarHBondContact O-CB 3.47Å; F128-S131 PolarHBondContact O-OG 3.21Å; P129-S131 PolarHBondContact O-N 3.37Å; S131-Q133 PolarHBondContact O-N 3.05Å; S131-S134 WeakPolarHBondContact O-CB 3.4Å; S131-S134 PolarHBondContact O-N 2.91Å; S131-S134 PolarHBondContact O-OG 2.89Å
132	K	93.8	Very high	93.5	Very high	99 Å²	99	55.5 Å²	55.5	43%	0.43	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-61.5	-22.3	169.5	-70.1	171	66	175.1	0	112.8	Y130 S134 I287 D289	Y130-K132 VanDerWaalsContact C-N 3.31Å; Y130-K132 PolarHBondContact O-N 3.47Å; K132-S134 VanDerWaalsContact C-N 3.32Å; K132-S134 PolarHBondContact O-N 3.24Å; K132-I287 HydrophobicContact CD-CD1 4.17Å; K132-I287 HydrophobicContact CG-CD1 3.92Å; K132-D289 IonicContact NZ-OD2 3.36Å; K132-D289 PolarHBondContact NZ-OD2 3.25Å
133	Q	94.6	Very high	93.4	Very high	91 Å²	91	56.6 Å²	56.6	43%	0.425	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-97	40.3	176.6	-54.2	-176.5	28.3	0	0	111.9	Y130 S131 V143 C144	Y130-Q133 CarbonylContact O-C 3.53Å; Y130-Q133 WeakPolarHBondContact O-CA 3.46Å; Y130-Q133 WeakPolarHBondContact O-CB 3.17Å; Y130-Q133 PolarHBondContact O-N 2.95Å; S131-Q133 PolarHBondContact O-N 3.05Å; Q133-V143 HydrophobicContact CB-CB 4.22Å; Q133-V143 PolarHBondContact O-N 3.07Å; Q133-C144 WeakPolarHBondContact O-CB 3.15Å; Q133-C144 PolarHBondContact O-N 3.07Å
134	S	93.2	Very high	93.3	Very high	9 Å²	9	56.6 Å²	56.6	6%	0.063	27%	0.266	C	S	.	.			trans	-88.1	-12.3	178.7	49.3	0	0	0	0	114.1	S131 K132 I142	S131-S134 WeakPolarHBondContact O-CB 3.4Å; S131-S134 PolarHBondContact O-N 2.91Å; S131-S134 PolarHBondContact O-OG 2.89Å; K132-S134 VanDerWaalsContact C-N 3.32Å; K132-S134 PolarHBondContact O-N 3.24Å; S134-I142 WeakPolarHBondContact O-CG2 3.48Å
135	K	90.4	Very high	93.3	Very high	91 Å²	91	60.9 Å²	60.9	40%	0.396	28%	0.284	S	S	.	.	S	Bend	trans	-116.9	139.7	174.8	-64.6	176.2	-174.8	167.2	0	109.6	R137	K135-R137 PolarHBondContact O-N 2.82Å
136	M	89.1	Confident	93.3	Very high	117 Å²	117	65.3 Å²	65.3	58%	0.576	31%	0.308	S	S	*	.			trans	-68.1	124.4	174.2	-174.9	173.1	171	0	0	109.2	G140 I142	M136-G140 WeakPolarHBondContact CE-O 3.34Å; M136-I142 HydrophobicContact CB-CD1 4.45Å; M136-I142 HydrophobicContact CB-CG1 4.01Å
137	R	82.9	Confident	93.3	Very high	169 Å²	169	65.5 Å²	65.5	64%	0.638	31%	0.309	S	S	*	.			trans	-110.9	130.1	174.8	-58	-63.4	-172	172.3	3.3	108.8	K135 R139 G140	K135-R137 PolarHBondContact O-N 2.82Å; R137-R139 PolarHBondContact O-N 3.36Å; R137-G140 VanDerWaalsContact O-CA 3.28Å; R137-G140 WeakPolarHBondContact O-CA 3.22Å; R137-G140 PolarHBondContact O-N 3.04Å
138	K	83.9	Confident	93.3	Very high	135 Å²	135	64.6 Å²	64.6	59%	0.587	31%	0.305	S	S	*	.	S	Bend	trans	48.8	-135.5	179.6	-56.8	-177.2	178.8	-180	0	111.9	G140 M238 D240	K138-G140 PolarHBondContact O-N 3.05Å; K138-M238 PolarHBondContact NZ-O 3.1Å; K138-D240 HydrophobicContact CD-CB 4.23Å
139	R	81	Confident	93.3	Very high	193 Å²	193	66.9 Å²	66.9	73%	0.728	32%	0.322	S	S	*	.	S	Bend	trans	-86.7	66.2	164.3	-92.8	176.9	-103.7	-152.4	-5.6	108.8	R137 R242	R137-R139 PolarHBondContact O-N 3.36Å; R139-R242 VanDerWaalsContact NE-NE 3.19Å; R139-R242 VanDerWaalsContact NE-NH2 3.11Å; R139-R242 VanDerWaalsContact NH2-CD 3.31Å; R139-R242 VanDerWaalsContact NH2-NE 3.13Å
140	G	85.9	Confident	93.4	Very high	36 Å²	36	70.2 Å²	70.2	37%	0.371	34%	0.338	S	S	.	.			trans	-106.4	-173.2	175.1	0	0	0	0	0	111.4	M136 R137 K138	M136-G140 WeakPolarHBondContact CE-O 3.34Å; R137-G140 VanDerWaalsContact O-CA 3.28Å; R137-G140 WeakPolarHBondContact O-CA 3.22Å; R137-G140 PolarHBondContact O-N 3.04Å; K138-G140 PolarHBondContact O-N 3.05Å
141	S	92.1	Very high	93.4	Very high	75 Å²	75	68 Å²	68	52%	0.524	33%	0.329	S	S	.	.			trans	-122.9	163.1	170.2	60.3	0	0	0	0	109.8	V143	S141-V143 PolarHBondContact O-N 3.05Å; S141-V143 WeakPolarHBondContact OG-CG2 3.26Å
142	I	95.8	Very high	93.5	Very high	64 Å²	64	69 Å²	69	33%	0.328	34%	0.338	S	S	.	.			trans	-89.7	81.6	170.5	-55.9	178	0	0	0	107.3	S134 M136 C144 K145 L146 F172	S134-I142 WeakPolarHBondContact O-CG2 3.48Å; M136-I142 HydrophobicContact CB-CD1 4.45Å; M136-I142 HydrophobicContact CB-CG1 4.01Å; I142-C144 PolarHBondContact O-N 3.42Å; I142-K145 HydrophobicContact CB-CB 4.24Å; I142-K145 HydrophobicContact CG2-CB 3.78Å; I142-K145 WeakPolarHBondContact O-CB 3.3Å; I142-K145 PolarHBondContact O-N 3.22Å; I142-L146 PolarHBondContact O-N 3.01Å; I142-F172 HydrophobicContact CG2-CE2 3.79Å; I142-F172 HydrophobicContact CG2-CZ 3.91Å
143	V	97.1	Very high	93.7	Very high	29 Å²	29	72.4 Å²	72.4	18%	0.176	35%	0.353	C	S	.	.	H	α-helix	trans	-62.3	-32.1	-175	-177.1	0	0	0	0	111.4	Y130 Q133 S141 K145 L146 L147	Y130-V143 HydrophobicContact CD1-CB 4.28Å; Y130-V143 HydrophobicContact CD1-CG1 3.53Å; Y130-V143 HydrophobicContact CE1-CG1 4.09Å; Y130-V143 HydrophobicContact CG-CG1 3.92Å; Q133-V143 HydrophobicContact CB-CB 4.22Å; Q133-V143 PolarHBondContact O-N 3.07Å; S141-V143 PolarHBondContact O-N 3.05Å; S141-V143 WeakPolarHBondContact OG-CG2 3.26Å; V143-K145 VanDerWaalsContact C-N 3.27Å; V143-K145 PolarHBondContact O-N 2.95Å; V143-L146 WeakPolarHBondContact O-CB 3.48Å; V143-L146 PolarHBondContact O-N 3.07Å; V143-L146 VanDerWaalsContact O-N 3.13Å; V143-L147 PolarHBondContact O-N 2.89Å
144	C	97.6	Very high	93.9	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-56.6	-40.3	173.3	-170.1	0	0	0	0	112.4	Y130 Q133 I142 L147 A148 F172	Y130-C144 WeakPolarHBondContact O-CB 3.24Å; Q133-C144 WeakPolarHBondContact O-CB 3.15Å; Q133-C144 PolarHBondContact O-N 3.07Å; I142-C144 PolarHBondContact O-N 3.42Å; C144-L147 PolarHBondContact O-N 3.02Å; C144-A148 PolarHBondContact O-N 3.37Å; C144-F172 HydrophobicContact CB-CD2 4.22Å; C144-F172 HydrophobicContact CB-CE2 4.06Å
145	K	97.9	Very high	94.1	Very high	90 Å²	90	68.5 Å²	68.5	39%	0.391	34%	0.337	S	S	.	.	H	α-helix	trans	-71.1	-38	176.2	174.5	57.5	-175.2	-87.8	0	112	I142 V143 L147 A148 S149 F172	I142-K145 HydrophobicContact CB-CB 4.24Å; I142-K145 HydrophobicContact CG2-CB 3.78Å; I142-K145 WeakPolarHBondContact O-CB 3.3Å; I142-K145 PolarHBondContact O-N 3.22Å; V143-K145 VanDerWaalsContact C-N 3.27Å; V143-K145 PolarHBondContact O-N 2.95Å; K145-L147 VanDerWaalsContact C-N 3.33Å; K145-A148 PolarHBondContact O-N 2.94Å; K145-S149 WeakPolarHBondContact O-CB 3.45Å; K145-S149 PolarHBondContact O-N 2.97Å; K145-S149 PolarHBondContact O-OG 2.88Å; K145-F172 HydrophobicContact CB-CB 4.45Å; K145-F172 HydrophobicContact CB-CD2 3.95Å; K145-F172 HydrophobicContact CB-CE2 4.31Å; K145-F172 HydrophobicContact CB-CG 4.07Å; K145-F172 HydrophobicContact CD-CB 3.64Å; K145-F172 HydrophobicContact CD-CD1 4.27Å; K145-F172 HydrophobicContact CD-CG 3.96Å; K145-F172 WeakPolarHBondContact CD-O 3.33Å; K145-F172 WeakPolarHBondContact CE-O 2.93Å
146	L	98.3	Very high	94.5	Very high	95 Å²	95	64.5 Å²	64.5	50%	0.497	32%	0.32	S	S	.	.	H	α-helix	trans	-58.3	-48.5	172.8	173.4	62.8	0	0	0	110.3	I142 V143 A148 S149 M150	I142-L146 PolarHBondContact O-N 3.01Å; V143-L146 WeakPolarHBondContact O-CB 3.48Å; V143-L146 PolarHBondContact O-N 3.07Å; V143-L146 VanDerWaalsContact O-N 3.13Å; L146-A148 PolarHBondContact O-N 3.32Å; L146-S149 WeakPolarHBondContact O-CB 3.41Å; L146-S149 PolarHBondContact O-N 3.4Å; L146-S149 VanDerWaalsContact O-N 3.12Å; L146-M150 HydrophobicContact CD1-CG 4.32Å; L146-M150 HydrophobicContact CD1-SD 4.49Å; L146-M150 HydrophobicContact CG-CE 4.19Å; L146-M150 HydrophobicContact CG-SD 4.4Å; L146-M150 WeakPolarHBondContact O-CG 3.44Å; L146-M150 PolarHBondContact O-N 2.79Å
147	L	98.4	Very high	94.9	Very high	4 Å²	4	61.4 Å²	61.4	2%	0.021	31%	0.308	C	S	.	.	H	α-helix	trans	-59.8	-48	178	179.5	63	0	0	0	112.5	V103 F128 P129 Y130 V143 C144 K145 S149 M150 L151	V103-L147 HydrophobicContact CG1-CD1 3.53Å; V103-L147 HydrophobicContact CG2-CD1 4.16Å; F128-L147 HydrophobicContact CE1-CD2 3.95Å; F128-L147 HydrophobicContact CE1-CG 4.49Å; F128-L147 HydrophobicContact CE2-CD2 4.25Å; F128-L147 HydrophobicContact CZ-CD2 3.69Å; F128-L147 HydrophobicContact CZ-CG 3.95Å; P129-L147 HydrophobicContact CG-CD2 3.74Å; P129-L147 WeakPolarHBondContact O-CD2 3.42Å; Y130-L147 HydrophobicContact CD2-CD2 4.08Å; V143-L147 PolarHBondContact O-N 2.89Å; C144-L147 PolarHBondContact O-N 3.02Å; K145-L147 VanDerWaalsContact C-N 3.33Å; L147-S149 PolarHBondContact O-N 3.26Å; L147-M150 HydrophobicContact CB-CE 4.35Å; L147-M150 HydrophobicContact CD1-CE 3.87Å; L147-M150 PolarHBondContact O-N 2.86Å; L147-M150 VanDerWaalsContact O-N 3.12Å; L147-L151 HydrophobicContact CD1-CG 4.39Å; L147-L151 HydrophobicContact CG-CD1 4.23Å; L147-L151 WeakPolarHBondContact O-CG 3.35Å; L147-L151 PolarHBondContact O-N 3.43Å
148	A	98.3	Very high	95.7	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.008	28%	0.284	C	S	.	.	H	α-helix	trans	-55.5	-38.6	175.2	0	0	0	0	0	112.1	C144 K145 L146 A152 F172 F173	C144-A148 PolarHBondContact O-N 3.37Å; K145-A148 PolarHBondContact O-N 2.94Å; L146-A148 PolarHBondContact O-N 3.32Å; A148-A152 PolarHBondContact O-N 2.83Å; A148-A152 VanDerWaalsContact O-N 3.15Å; A148-F172 HydrophobicContact CB-CB 4.02Å; A148-F173 HydrophobicContact CB-CD1 3.71Å; A148-F173 HydrophobicContact CB-CD2 4.42Å; A148-F173 HydrophobicContact CB-CE1 3.71Å; A148-F173 HydrophobicContact CB-CE2 4.42Å; A148-F173 HydrophobicContact CB-CG 4.11Å; A148-F173 HydrophobicContact CB-CZ 4.09Å
149	S	98.5	Very high	96.4	Very high	52 Å²	52	48.4 Å²	48.4	36%	0.364	26%	0.256	S	S	.	.	H	α-helix	trans	-69.7	-40.1	177.5	-52.9	0	0	0	0	112.3	K145 L146 L147 A152 K153	K145-S149 WeakPolarHBondContact O-CB 3.45Å; K145-S149 PolarHBondContact O-N 2.97Å; K145-S149 PolarHBondContact O-OG 2.88Å; L146-S149 WeakPolarHBondContact O-CB 3.41Å; L146-S149 PolarHBondContact O-N 3.4Å; L146-S149 VanDerWaalsContact O-N 3.12Å; L147-S149 PolarHBondContact O-N 3.26Å; S149-A152 PolarHBondContact O-N 3.36Å; S149-K153 WeakPolarHBondContact O-CG 3.46Å; S149-K153 PolarHBondContact O-N 2.83Å
150	M	98.6	Very high	97.2	Very high	73 Å²	73	39.2 Å²	39.2	36%	0.36	22%	0.222	S	C	.	.	H	α-helix	trans	-63.8	-42.5	175.6	-67.8	-171.8	-62	0	0	111.6	L107 L146 L147 A152 K153 A154	L107-M150 HydrophobicContact CD1-CB 4.38Å; L107-M150 HydrophobicContact CD2-CB 4.01Å; L146-M150 HydrophobicContact CD1-CG 4.32Å; L146-M150 HydrophobicContact CD1-SD 4.49Å; L146-M150 HydrophobicContact CG-CE 4.19Å; L146-M150 HydrophobicContact CG-SD 4.4Å; L146-M150 WeakPolarHBondContact O-CG 3.44Å; L146-M150 PolarHBondContact O-N 2.79Å; L147-M150 HydrophobicContact CB-CE 4.35Å; L147-M150 HydrophobicContact CD1-CE 3.87Å; L147-M150 PolarHBondContact O-N 2.86Å; L147-M150 VanDerWaalsContact O-N 3.12Å; M150-A152 PolarHBondContact O-N 3.12Å; M150-K153 PolarHBondContact O-N 2.92Å; M150-K153 VanDerWaalsContact O-N 3.16Å; M150-A154 WeakPolarHBondContact O-CB 3.28Å; M150-A154 PolarHBondContact O-N 2.87Å
151	L	98.5	Very high	97.8	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-60.5	-43.1	176.3	-71.4	170.8	0	0	0	112.1	L106 L107 I125 F128 L147 K153 A154 G155 L156 F173	L106-L151 HydrophobicContact CD2-CD2 3.66Å; L106-L151 HydrophobicContact CG-CD2 4.07Å; L107-L151 HydrophobicContact CD2-CD2 3.86Å; L107-L151 HydrophobicContact CD2-CG 4.34Å; I125-L151 HydrophobicContact CD1-CD1 4.2Å; F128-L151 HydrophobicContact CE2-CD1 3.6Å; F128-L151 HydrophobicContact CZ-CD1 3.91Å; L147-L151 HydrophobicContact CD1-CG 4.39Å; L147-L151 HydrophobicContact CG-CD1 4.23Å; L147-L151 WeakPolarHBondContact O-CG 3.35Å; L147-L151 PolarHBondContact O-N 3.43Å; L151-K153 VanDerWaalsContact C-N 3.33Å; L151-K153 PolarHBondContact O-N 2.86Å; L151-A154 PolarHBondContact O-N 3.03Å; L151-G155 PolarHBondContact O-N 3.15Å; L151-L156 HydrophobicContact CB-CD2 4.24Å; L151-L156 HydrophobicContact CD2-CD2 4.06Å; L151-L156 PolarHBondContact O-N 3.35Å; L151-L156 VanDerWaalsContact O-N 3.15Å; L151-F173 HydrophobicContact CD1-CE1 4.27Å
152	A	98.1	Very high	98	Very high	25 Å²	25	33.9 Å²	33.9	21%	0.207	18%	0.179	C	C	.	.	H	α-helix	trans	-60.9	-42.7	174.3	0	0	0	0	0	111.8	A148 S149 M150 G155 F175	A148-A152 PolarHBondContact O-N 2.83Å; A148-A152 VanDerWaalsContact O-N 3.15Å; S149-A152 PolarHBondContact O-N 3.36Å; M150-A152 PolarHBondContact O-N 3.12Å; A152-G155 PolarHBondContact O-N 3.18Å; A152-F175 HydrophobicContact CB-CD1 3.89Å; A152-F175 HydrophobicContact CB-CE1 3.65Å
153	K	98.4	Very high	98.1	Very high	170 Å²	170	31.1 Å²	31.1	74%	0.739	17%	0.165	S	C	*	.	H	α-helix	trans	-68.8	-38	179	-69.5	-61.4	-178.7	-175.7	0	112.7	K114 S149 M150 L151 G155	K114-K153 PolarHBondContact NZ-O 2.88Å; S149-K153 WeakPolarHBondContact O-CG 3.46Å; S149-K153 PolarHBondContact O-N 2.83Å; M150-K153 PolarHBondContact O-N 2.92Å; M150-K153 VanDerWaalsContact O-N 3.16Å; L151-K153 VanDerWaalsContact C-N 3.33Å; L151-K153 PolarHBondContact O-N 2.86Å; K153-G155 PolarHBondContact O-N 3.35Å
154	A	98.3	Very high	98.1	Very high	9 Å²	9	30 Å²	30	7%	0.074	16%	0.158	C	C	.	.	H	α-helix	trans	-61.7	-32.2	175.3	0	0	0	0	0	112.1	L107 A110 Y111 K114 M150 L151	L107-A154 HydrophobicContact CB-CB 4.43Å; L107-A154 HydrophobicContact CD2-CB 3.62Å; A110-A154 HydrophobicContact CB-CB 4.15Å; Y111-A154 WeakPolarHBondContact CA-O 3.45Å; K114-A154 WeakPolarHBondContact CD-O 3.25Å; M150-A154 WeakPolarHBondContact O-CB 3.28Å; M150-A154 PolarHBondContact O-N 2.87Å; L151-A154 PolarHBondContact O-N 3.03Å
155	G	97.5	Very high	98	Very high	9 Å²	9	32.4 Å²	32.4	9%	0.093	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	129.4	9.4	172.4	0	0	0	0	0	116	L151 A152 K153 T157	L151-G155 PolarHBondContact O-N 3.15Å; A152-G155 PolarHBondContact O-N 3.18Å; K153-G155 PolarHBondContact O-N 3.35Å; G155-T157 PolarHBondContact O-N 3.09Å
156	L	98.4	Very high	97.7	Very high	8 Å²	8	30.1 Å²	30.1	4%	0.042	16%	0.16	C	C	.	.			trans	-62.3	134.5	174	-91.8	64.7	0	0	0	110	A110 I121 L151 F175	A110-L156 HydrophobicContact CB-CD1 3.3Å; I121-L156 HydrophobicContact CG2-CD1 4.23Å; I121-L156 WeakPolarHBondContact O-CA 3.36Å; L151-L156 HydrophobicContact CB-CD2 4.24Å; L151-L156 HydrophobicContact CD2-CD2 4.06Å; L151-L156 PolarHBondContact O-N 3.35Å; L151-L156 VanDerWaalsContact O-N 3.15Å; L156-F175 HydrophobicContact CB-CE1 4.2Å; L156-F175 HydrophobicContact CB-CE2 4.42Å; L156-F175 HydrophobicContact CB-CZ 3.88Å
157	T	98.2	Very high	97.4	Very high	51 Å²	51	28.9 Å²	28.9	31%	0.313	15%	0.15	S	C	.	.	S	Bend	trans	-104.6	-18.9	177.9	62.2	0	0	0	0	112.2	I121 G155 F175	I121-T157 PolarHBondContact N-OG1 3.12Å; I121-T157 PolarHBondContact O-N 3.46Å; I121-T157 PolarHBondContact O-OG1 2.9Å; G155-T157 PolarHBondContact O-N 3.09Å; T157-F175 WeakPolarHBondContact O-CB 3.34Å
158	H	98.4	Very high	97.2	Very high	31 Å²	31	33.9 Å²	33.9	14%	0.144	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	150	179.1	-162.3	163.8	0	0	0	108.2	I122 G123 P176 D178	I122-H158 CarbonylContact C-O 3.58Å; I122-H158 WeakPolarHBondContact CA-O 3.39Å; I122-H158 HydrophobicContact CB-CB 4.41Å; I122-H158 HydrophobicContact CG1-CB 3.96Å; I122-H158 HydrophobicContact CG2-CB 4.13Å; G123-H158 PolarHBondContact N-O 3.1Å; H158-P176 VanDerWaalsContact CD2-C 3.47Å; H158-P176 PolarHBondContact CD2-O 3.44Å; H158-D178 IonicContact CE1-OD2 2.71Å; H158-D178 PolarHBondContact CE1-OD2 2.85Å; H158-D178 IonicContact NE2-OD2 3.18Å; H158-D178 PolarHBondContact NE2-OD2 3.06Å
159	I	98.3	Very high	97.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	135.1	166.3	-173.1	-179.5	0	0	0	111.6	G123 I125 F128 F173 F175 P176 V177 D178	G123-I159 CarbonylContact O-C 3.6Å; G123-I159 WeakPolarHBondContact O-CA 3.47Å; G123-I159 WeakPolarHBondContact O-CG1 3.41Å; I125-I159 HydrophobicContact CB-CD1 4.27Å; I125-I159 HydrophobicContact CB-CG1 4.49Å; I125-I159 HydrophobicContact CD1-CD1 3.67Å; I125-I159 HydrophobicContact CD1-CG1 4.12Å; I125-I159 HydrophobicContact CG1-CD1 4.21Å; I125-I159 HydrophobicContact CG1-CG1 4.27Å; F128-I159 HydrophobicContact CD2-CD1 3.68Å; F128-I159 HydrophobicContact CE2-CD1 3.69Å; I159-F173 HydrophobicContact CD1-CE1 3.91Å; I159-F173 HydrophobicContact CD1-CZ 3.84Å; I159-F173 HydrophobicContact CG2-CD1 4.24Å; I159-F173 HydrophobicContact CG2-CE1 4.13Å; I159-F173 HydrophobicContact CG2-CZ 4.31Å; I159-F175 HydrophobicContact CB-CE2 3.9Å; I159-F175 HydrophobicContact CG2-CE2 3.73Å; I159-P176 PolarHBondContact N-O 2.59Å; I159-V177 HydrophobicContact CG2-CB 3.95Å; I159-V177 HydrophobicContact CG2-CG1 3.8Å; I159-V177 HydrophobicContact CG2-CG2 3.62Å; I159-V177 WeakPolarHBondContact O-CA 3.35Å; I159-D178 PolarHBondContact O-N 3.49Å
160	I	98.4	Very high	97	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	126	163	-50.5	175.8	0	0	0	106.8	I122 G123 V124 I125 D178 L180 L361 A364 I365 I368	I122-I160 HydrophobicContact CG2-CD1 4.12Å; I122-I160 HydrophobicContact CG2-CG1 3.93Å; G123-I160 PolarHBondContact O-N 3.43Å; V124-I160 CarbonylContact C-O 3.55Å; V124-I160 WeakPolarHBondContact CA-O 3.36Å; V124-I160 HydrophobicContact CG1-CB 4.48Å; V124-I160 HydrophobicContact CG2-CB 4.42Å; V124-I160 HydrophobicContact CG2-CD1 4Å; V124-I160 HydrophobicContact CG2-CG1 4.48Å; I125-I160 PolarHBondContact N-O 3.07Å; I160-D178 WeakPolarHBondContact CA-O 3.28Å; I160-D178 HydrophobicContact CG2-CB 4.49Å; I160-L180 HydrophobicContact CG2-CD1 3.53Å; I160-L180 HydrophobicContact CG2-CG 4.02Å; I160-L361 HydrophobicContact CG2-CD2 4.28Å; I160-A364 HydrophobicContact CD1-CB 4.17Å; I160-A364 HydrophobicContact CG2-CB 4.11Å; I160-I365 HydrophobicContact CD1-CG1 3.94Å; I160-I368 HydrophobicContact CD1-CD1 3.38Å; I160-I368 HydrophobicContact CG1-CD1 3.56Å
161	T	98.4	Very high	97	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	175.2	177.3	-167.3	0	0	0	0	109.5	I125 L164 V177 D178 N179 L180	I125-T161 WeakPolarHBondContact O-CA 3.4Å; I125-T161 VanDerWaalsContact O-CB 3.26Å; I125-T161 WeakPolarHBondContact O-CB 3.48Å; I125-T161 PolarHBondContact O-OG1 3.45Å; T161-L164 HydrophobicContact CG2-CD1 3.94Å; T161-L164 HydrophobicContact CG2-CD2 3.83Å; T161-L164 HydrophobicContact CG2-CG 3.66Å; T161-V177 HydrophobicContact CG2-CG1 4.35Å; T161-D178 PolarHBondContact N-O 2.86Å; T161-D178 VanDerWaalsContact O-O 3.1Å; T161-N179 HydrophobicContact CG2-CB 4.28Å; T161-L180 WeakPolarHBondContact O-CB 2.87Å; T161-L180 WeakPolarHBondContact O-CG 3.26Å; T161-L180 PolarHBondContact O-N 2.79Å
162	M	97.5	Very high	96.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	137.1	178.6	-163.7	166.5	63.7	0	0	110.4	P126 L164 L180 A182 T314 H315 T339 I357 I360	P126-M162 PolarHBondContact O-N 2.91Å; M162-L164 PolarHBondContact O-N 2.96Å; M162-L180 WeakPolarHBondContact CA-O 3.25Å; M162-L180 HydrophobicContact CB-CB 4.35Å; M162-L180 HydrophobicContact CG-CB 4.07Å; M162-L180 WeakPolarHBondContact CG-O 3.47Å; M162-A182 HydrophobicContact CE-CB 3.86Å; M162-A182 HydrophobicContact CG-CB 4.47Å; M162-A182 HydrophobicContact SD-CB 3.89Å; M162-T314 HydrophobicContact CE-CG2 3.61Å; M162-T314 HydrophobicContact CG-CG2 4.37Å; M162-H315 PolarHBondContact O-CE1 3.28Å; M162-H315 PolarHBondContact O-NE2 3.5Å; M162-T339 HydrophobicContact CE-CG2 3.03Å; M162-I357 HydrophobicContact CE-CB 3.93Å; M162-I357 HydrophobicContact CE-CD1 4.32Å; M162-I357 HydrophobicContact CE-CG1 3.59Å; M162-I357 HydrophobicContact CE-CG2 3.95Å; M162-I357 HydrophobicContact SD-CB 4.3Å; M162-I357 HydrophobicContact SD-CG2 4.34Å; M162-I360 HydrophobicContact SD-CG2 4.16Å
163	D	96.4	Very high	96.9	Very high	5 Å²	5	36.2 Å²	36.2	3%	0.027	19%	0.189	C	C	.	.	S	Bend	trans	41	59.1	177.3	-70.4	-44.5	0	0	0	114.9	H165 N179 L180 R181 A182 T314 H315	D163-H165 PolarHBondContact O-N 2.82Å; D163-N179 PolarHBondContact N-OD1 3.08Å; D163-L180 PolarHBondContact N-O 3.05Å; D163-R181 WeakPolarHBondContact OD1-CD 3.21Å; D163-R181 IonicContact OD1-CZ 2.83Å; D163-R181 IonicContact OD1-NE 3.92Å; D163-R181 IonicContact OD1-NH1 2.65Å; D163-R181 PolarHBondContact OD1-NH1 2.65Å; D163-R181 VanDerWaalsContact OD1-NH1 3.08Å; D163-A182 VanDerWaalsContact OD2-CB 3.3Å; D163-A182 WeakPolarHBondContact OD2-CB 3.4Å; D163-A182 PolarHBondContact OD2-N 2.85Å; D163-T314 HydrophobicContact CB-CG2 3.88Å; D163-T314 WeakPolarHBondContact OD2-CG2 3.43Å; D163-T314 PolarHBondContact OD2-OG1 2.77Å; D163-H315 PolarHBondContact O-NE2 3.16Å
164	L	97	Very high	96.9	Very high	7 Å²	7	33.1 Å²	33.1	4%	0.037	19%	0.189	C	C	.	.			trans	-47.4	132.7	170.2	-74.1	172.6	0	0	0	111.5	F128 T161 M162 Q166 I169 Q170 V177 N179	F128-L164 HydrophobicContact CB-CD2 3.67Å; F128-L164 HydrophobicContact CD1-CD2 4.33Å; F128-L164 HydrophobicContact CG-CD2 4.12Å; T161-L164 HydrophobicContact CG2-CD1 3.94Å; T161-L164 HydrophobicContact CG2-CD2 3.83Å; T161-L164 HydrophobicContact CG2-CG 3.66Å; M162-L164 PolarHBondContact O-N 2.96Å; L164-Q166 PolarHBondContact O-N 2.99Å; L164-I169 HydrophobicContact CD1-CB 4.15Å; L164-I169 HydrophobicContact CD1-CG2 4.17Å; L164-I169 HydrophobicContact CD2-CG2 4.03Å; L164-Q170 HydrophobicContact CD1-CG 3.7Å; L164-V177 HydrophobicContact CD1-CG1 4.45Å; L164-N179 HydrophobicContact CD1-CB 4.08Å; L164-N179 HydrophobicContact CG-CB 4.49Å; L164-N179 WeakPolarHBondContact CG-OD1 3.4Å; L164-N179 PolarHBondContact N-OD1 3.09Å
165	H	95.1	Very high	96.8	Very high	49 Å²	49	34 Å²	34	23%	0.227	19%	0.191	C	C	.	.	S	Bend	trans	-48.1	-37.8	-177.3	-177.4	58.6	0	0	0	113.6	D163 I169 D286 I287	D163-H165 PolarHBondContact O-N 2.82Å; H165-I169 HydrophobicContact CB-CD1 4.3Å; H165-D286 WeakPolarHBondContact CA-OD2 3.19Å; H165-D286 IonicContact CE1-OD1 3.3Å; H165-D286 IonicContact CE1-OD2 2.79Å; H165-D286 IonicContact CG-OD2 2.87Å; H165-D286 IonicContact ND1-OD1 3.52Å; H165-D286 PolarHBondContact ND1-OD1 2.89Å; H165-D286 IonicContact ND1-OD2 3.82Å; H165-D286 PolarHBondContact ND1-OD2 2.79Å; H165-I287 HydrophobicContact CB-CD1 4.26Å
166	Q	92.5	Very high	96.8	Very high	42 Å²	42	37.4 Å²	37.4	20%	0.196	21%	0.212	C	C	.	.	S	Bend	trans	-132.8	131.7	168.5	-58.5	-72	-81.9	0	0	107.4	L164 E168 I169	L164-Q166 PolarHBondContact O-N 2.99Å; Q166-E168 WeakPolarHBondContact CB-OE2 3.48Å; Q166-E168 PolarHBondContact O-N 3.33Å; Q166-I169 HydrophobicContact CB-CD1 4.17Å; Q166-I169 HydrophobicContact CB-CG1 4.19Å; Q166-I169 VanDerWaalsContact O-CB 3.26Å; Q166-I169 WeakPolarHBondContact O-CB 3.11Å; Q166-I169 WeakPolarHBondContact O-CD1 3.39Å; Q166-I169 VanDerWaalsContact O-CG1 3.23Å; Q166-I169 WeakPolarHBondContact O-CG1 3.36Å; Q166-I169 PolarHBondContact O-N 3.26Å; Q166-I169 VanDerWaalsContact O-N 3.08Å
167	K	91.6	Very high	96.8	Very high	69 Å²	69	38.1 Å²	38.1	30%	0.3	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-62.2	-26	-178.3	60.7	-178.2	170.1	-172.7	0	112.9	I169 Q170 V383 D384	K167-I169 PolarHBondContact O-N 2.75Å; K167-Q170 WeakPolarHBondContact O-CB 3.23Å; K167-Q170 VanDerWaalsContact O-CG 3.3Å; K167-Q170 WeakPolarHBondContact O-CG 3.34Å; K167-Q170 PolarHBondContact O-N 3.35Å; K167-V383 PolarHBondContact NZ-O 3.07Å; K167-D384 IonicContact NZ-OD1 3.54Å
168	E	94.5	Very high	96.7	Very high	110 Å²	110	36.9 Å²	36.9	51%	0.514	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-64.2	-19.5	177.8	-61.3	73.8	-161.6	0	0	112.6	Q166 Q170 G171	Q166-E168 WeakPolarHBondContact CB-OE2 3.48Å; Q166-E168 PolarHBondContact O-N 3.33Å; E168-Q170 PolarHBondContact O-N 3.39Å; E168-Q170 VanDerWaalsContact O-N 3.14Å; E168-G171 PolarHBondContact O-N 2.87Å
169	I	97	Very high	96.6	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-57.5	-26.5	174.3	-65.7	168.2	0	0	0	111.1	L164 H165 Q166 K167 G171 F172 F173	L164-I169 HydrophobicContact CD1-CB 4.15Å; L164-I169 HydrophobicContact CD1-CG2 4.17Å; L164-I169 HydrophobicContact CD2-CG2 4.03Å; H165-I169 HydrophobicContact CB-CD1 4.3Å; Q166-I169 HydrophobicContact CB-CD1 4.17Å; Q166-I169 HydrophobicContact CB-CG1 4.19Å; Q166-I169 VanDerWaalsContact O-CB 3.26Å; Q166-I169 WeakPolarHBondContact O-CB 3.11Å; Q166-I169 WeakPolarHBondContact O-CD1 3.39Å; Q166-I169 VanDerWaalsContact O-CG1 3.23Å; Q166-I169 WeakPolarHBondContact O-CG1 3.36Å; Q166-I169 PolarHBondContact O-N 3.26Å; Q166-I169 VanDerWaalsContact O-N 3.08Å; K167-I169 PolarHBondContact O-N 2.75Å; I169-G171 PolarHBondContact O-N 3.08Å; I169-F172 HydrophobicContact CB-CD2 4.32Å; I169-F172 HydrophobicContact CB-CE2 4.49Å; I169-F172 HydrophobicContact CG1-CD2 4.35Å; I169-F172 HydrophobicContact CG1-CE2 4.05Å; I169-F172 HydrophobicContact CG2-CD2 4.01Å; I169-F172 VanDerWaalsContact O-CB 3.24Å; I169-F172 WeakPolarHBondContact O-CB 3.36Å; I169-F172 PolarHBondContact O-N 2.96Å; I169-F173 HydrophobicContact CG2-CE2 4.08Å; I169-F173 WeakPolarHBondContact O-CD2 3.37Å
170	Q	96.2	Very high	96.5	Very high	76 Å²	76	35.6 Å²	35.6	36%	0.355	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-54.8	-35.6	173.4	-65.6	178.1	32.1	0	0	112.1	L164 K167 E168 F172 F173 V177 N179	L164-Q170 HydrophobicContact CD1-CG 3.7Å; K167-Q170 WeakPolarHBondContact O-CB 3.23Å; K167-Q170 VanDerWaalsContact O-CG 3.3Å; K167-Q170 WeakPolarHBondContact O-CG 3.34Å; K167-Q170 PolarHBondContact O-N 3.35Å; E168-Q170 PolarHBondContact O-N 3.39Å; E168-Q170 VanDerWaalsContact O-N 3.14Å; Q170-F172 PolarHBondContact O-N 3.18Å; Q170-F173 PolarHBondContact O-N 2.92Å; Q170-V177 HydrophobicContact CB-CB 4.46Å; Q170-V177 HydrophobicContact CB-CG1 4.43Å; Q170-V177 HydrophobicContact CG-CB 4.36Å; Q170-V177 HydrophobicContact CG-CG1 3.9Å; Q170-N179 HydrophobicContact CG-CB 4.18Å; Q170-N179 PolarHBondContact NE2-ND2 2.91Å
171	G	97.3	Very high	96.4	Very high	63 Å²	63	36.5 Å²	36.5	65%	0.649	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-72.8	-4.6	177	0	0	0	0	0	114.7	E168 I169	E168-G171 PolarHBondContact O-N 2.87Å; I169-G171 PolarHBondContact O-N 3.08Å
172	F	97.9	Very high	96.2	Very high	43 Å²	43	36.5 Å²	36.5	19%	0.189	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-79.4	-24.8	175.4	-66.7	-6.1	0	0	0	112.6	I142 C144 K145 A148 I169 Q170	I142-F172 HydrophobicContact CG2-CE2 3.79Å; I142-F172 HydrophobicContact CG2-CZ 3.91Å; C144-F172 HydrophobicContact CB-CD2 4.22Å; C144-F172 HydrophobicContact CB-CE2 4.06Å; K145-F172 HydrophobicContact CB-CB 4.45Å; K145-F172 HydrophobicContact CB-CD2 3.95Å; K145-F172 HydrophobicContact CB-CE2 4.31Å; K145-F172 HydrophobicContact CB-CG 4.07Å; K145-F172 HydrophobicContact CD-CB 3.64Å; K145-F172 HydrophobicContact CD-CD1 4.27Å; K145-F172 HydrophobicContact CD-CG 3.96Å; K145-F172 WeakPolarHBondContact CD-O 3.33Å; K145-F172 WeakPolarHBondContact CE-O 2.93Å; A148-F172 HydrophobicContact CB-CB 4.02Å; I169-F172 HydrophobicContact CB-CD2 4.32Å; I169-F172 HydrophobicContact CB-CE2 4.49Å; I169-F172 HydrophobicContact CG1-CD2 4.35Å; I169-F172 HydrophobicContact CG1-CE2 4.05Å; I169-F172 HydrophobicContact CG2-CD2 4.01Å; I169-F172 VanDerWaalsContact O-CB 3.24Å; I169-F172 WeakPolarHBondContact O-CB 3.36Å; I169-F172 PolarHBondContact O-N 2.96Å; Q170-F172 PolarHBondContact O-N 3.18Å
173	F	98.1	Very high	96.1	Very high	17 Å²	17	36.5 Å²	36.5	8%	0.075	21%	0.206	C	C	.	.			trans	-84.2	141.9	-179.6	-60.5	-90.6	0	0	0	110.7	F128 A148 L151 I159 I169 Q170 F175 V177	F128-F173 HydrophobicContact CD2-CZ 4.19Å; F128-F173 AromaticContact CE1-CZ 3.93Å; F128-F173 HydrophobicContact CE1-CZ 3.93Å; F128-F173 AromaticContact CE2-CE1 3.93Å; F128-F173 HydrophobicContact CE2-CE1 3.93Å; F128-F173 AromaticContact CE2-CZ 3.54Å; F128-F173 HydrophobicContact CE2-CZ 3.54Å; F128-F173 AromaticContact CZ-CE1 3.85Å; F128-F173 HydrophobicContact CZ-CE1 3.85Å; F128-F173 HydrophobicContact CZ-CE2 4.46Å; F128-F173 AromaticContact CZ-CZ 3.39Å; F128-F173 HydrophobicContact CZ-CZ 3.39Å; A148-F173 HydrophobicContact CB-CD1 3.71Å; A148-F173 HydrophobicContact CB-CD2 4.42Å; A148-F173 HydrophobicContact CB-CE1 3.71Å; A148-F173 HydrophobicContact CB-CE2 4.42Å; A148-F173 HydrophobicContact CB-CG 4.11Å; A148-F173 HydrophobicContact CB-CZ 4.09Å; L151-F173 HydrophobicContact CD1-CE1 4.27Å; I159-F173 HydrophobicContact CD1-CE1 3.91Å; I159-F173 HydrophobicContact CD1-CZ 3.84Å; I159-F173 HydrophobicContact CG2-CD1 4.24Å; I159-F173 HydrophobicContact CG2-CE1 4.13Å; I159-F173 HydrophobicContact CG2-CZ 4.31Å; I169-F173 HydrophobicContact CG2-CE2 4.08Å; I169-F173 WeakPolarHBondContact O-CD2 3.37Å; Q170-F173 PolarHBondContact O-N 2.92Å; F173-F175 HydrophobicContact CB-CD2 4.44Å; F173-F175 HydrophobicContact CB-CE2 4.36Å; F173-F175 HydrophobicContact CB-CZ 4.49Å; F173-F175 HydrophobicContact CD1-CE1 4.09Å; F173-F175 AromaticContact CD1-CE2 3.76Å; F173-F175 HydrophobicContact CD1-CE2 3.76Å; F173-F175 AromaticContact CD1-CZ 3.46Å; F173-F175 HydrophobicContact CD1-CZ 3.46Å; F173-F175 VanDerWaalsContact CD1-CZ 3.46Å; F173-F175 HydrophobicContact CE1-CE2 4.48Å; F173-F175 HydrophobicContact CE1-CZ 4.13Å; F173-F175 HydrophobicContact CG-CE2 4.38Å; F173-F175 HydrophobicContact CG-CZ 4.39Å; F173-V177 HydrophobicContact CB-CG2 3.6Å; F173-V177 HydrophobicContact CD2-CG2 3.46Å; F173-V177 VanDerWaalsContact CD2-CG2 3.46Å; F173-V177 HydrophobicContact CE2-CG2 4.22Å; F173-V177 HydrophobicContact CG-CG2 3.61Å
174	S	97.3	Very high	96	Very high	105 Å²	105	38.8 Å²	38.8	73%	0.734	22%	0.221	S	C	*	.	S	Bend	trans	-90	10.3	174.3	63.2	0	0	0	0	112.8
175	F	97.5	Very high	95.9	Very high	27 Å²	27	40.5 Å²	40.5	12%	0.118	23%	0.228	C	C	.	.	S	Bend	trans	-141.8	163.8	-175.5	56.6	-105.8	0	0	0	109.2	A152 L156 T157 I159 F173	A152-F175 HydrophobicContact CB-CD1 3.89Å; A152-F175 HydrophobicContact CB-CE1 3.65Å; L156-F175 HydrophobicContact CB-CE1 4.2Å; L156-F175 HydrophobicContact CB-CE2 4.42Å; L156-F175 HydrophobicContact CB-CZ 3.88Å; T157-F175 WeakPolarHBondContact O-CB 3.34Å; I159-F175 HydrophobicContact CB-CE2 3.9Å; I159-F175 HydrophobicContact CG2-CE2 3.73Å; F173-F175 HydrophobicContact CB-CD2 4.44Å; F173-F175 HydrophobicContact CB-CE2 4.36Å; F173-F175 HydrophobicContact CB-CZ 4.49Å; F173-F175 HydrophobicContact CD1-CE1 4.09Å; F173-F175 AromaticContact CD1-CE2 3.76Å; F173-F175 HydrophobicContact CD1-CE2 3.76Å; F173-F175 AromaticContact CD1-CZ 3.46Å; F173-F175 HydrophobicContact CD1-CZ 3.46Å; F173-F175 VanDerWaalsContact CD1-CZ 3.46Å; F173-F175 HydrophobicContact CE1-CE2 4.48Å; F173-F175 HydrophobicContact CE1-CZ 4.13Å; F173-F175 HydrophobicContact CG-CE2 4.38Å; F173-F175 HydrophobicContact CG-CZ 4.39Å
176	P	97.6	Very high	96	Very high	81 Å²	81	38.2 Å²	38.2	53%	0.526	22%	0.218	S	C	.	.			trans	-56	146.9	-176.5	-27.2	36.4	0	0	0	113.8	H158 I159	H158-P176 VanDerWaalsContact CD2-C 3.47Å; H158-P176 PolarHBondContact CD2-O 3.44Å; I159-P176 PolarHBondContact N-O 2.59Å
177	V	97.5	Very high	96.2	Very high	23 Å²	23	36.9 Å²	36.9	14%	0.139	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	121.2	-179.4	179.1	0	0	0	0	108.8	I159 T161 L164 Q170 F173	I159-V177 HydrophobicContact CG2-CB 3.95Å; I159-V177 HydrophobicContact CG2-CG1 3.8Å; I159-V177 HydrophobicContact CG2-CG2 3.62Å; I159-V177 WeakPolarHBondContact O-CA 3.35Å; T161-V177 HydrophobicContact CG2-CG1 4.35Å; L164-V177 HydrophobicContact CD1-CG1 4.45Å; Q170-V177 HydrophobicContact CB-CB 4.46Å; Q170-V177 HydrophobicContact CB-CG1 4.43Å; Q170-V177 HydrophobicContact CG-CB 4.36Å; Q170-V177 HydrophobicContact CG-CG1 3.9Å; F173-V177 HydrophobicContact CB-CG2 3.6Å; F173-V177 HydrophobicContact CD2-CG2 3.46Å; F173-V177 VanDerWaalsContact CD2-CG2 3.46Å; F173-V177 HydrophobicContact CE2-CG2 4.22Å; F173-V177 HydrophobicContact CG-CG2 3.61Å
178	D	96.9	Very high	96.4	Very high	25 Å²	25	37.8 Å²	37.8	13%	0.134	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	98.6	167	-78.9	-52.4	0	0	0	109	H158 I159 I160 T161 L180 I368 M374	H158-D178 IonicContact CE1-OD2 2.71Å; H158-D178 PolarHBondContact CE1-OD2 2.85Å; H158-D178 IonicContact NE2-OD2 3.18Å; H158-D178 PolarHBondContact NE2-OD2 3.06Å; I159-D178 PolarHBondContact O-N 3.49Å; I160-D178 WeakPolarHBondContact CA-O 3.28Å; I160-D178 HydrophobicContact CG2-CB 4.49Å; T161-D178 PolarHBondContact N-O 2.86Å; T161-D178 VanDerWaalsContact O-O 3.1Å; D178-L180 PolarHBondContact O-N 3Å; D178-I368 VanDerWaalsContact OD2-CD1 3.26Å; D178-I368 WeakPolarHBondContact OD2-CD1 3.43Å; D178-M374 HydrophobicContact CB-CE 4.13Å
179	N	96.6	Very high	96.6	Very high	5 Å²	5	34.3 Å²	34.3	3%	0.027	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	91	173.8	178.6	46.8	0	0	0	110.2	T161 D163 L164 Q170 F378	T161-N179 HydrophobicContact CG2-CB 4.28Å; D163-N179 PolarHBondContact N-OD1 3.08Å; L164-N179 HydrophobicContact CD1-CB 4.08Å; L164-N179 HydrophobicContact CG-CB 4.49Å; L164-N179 WeakPolarHBondContact CG-OD1 3.4Å; L164-N179 PolarHBondContact N-OD1 3.09Å; Q170-N179 HydrophobicContact CG-CB 4.18Å; Q170-N179 PolarHBondContact NE2-ND2 2.91Å; N179-F378 VanDerWaalsContact O-CE1 3.25Å; N179-F378 WeakPolarHBondContact O-CE1 3.42Å
180	L	96	Very high	96.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	169.2	178.7	-53	176.6	0	0	0	111.3	I160 T161 M162 D163 D178 I360 L361 A364 M374 L377 F378	I160-L180 HydrophobicContact CG2-CD1 3.53Å; I160-L180 HydrophobicContact CG2-CG 4.02Å; T161-L180 WeakPolarHBondContact O-CB 2.87Å; T161-L180 WeakPolarHBondContact O-CG 3.26Å; T161-L180 PolarHBondContact O-N 2.79Å; M162-L180 WeakPolarHBondContact CA-O 3.25Å; M162-L180 HydrophobicContact CB-CB 4.35Å; M162-L180 HydrophobicContact CG-CB 4.07Å; M162-L180 WeakPolarHBondContact CG-O 3.47Å; D163-L180 PolarHBondContact N-O 3.05Å; D178-L180 PolarHBondContact O-N 3Å; L180-I360 HydrophobicContact CB-CD1 4.14Å; L180-I360 HydrophobicContact CD1-CG1 4.26Å; L180-L361 HydrophobicContact CD1-CD2 3.84Å; L180-A364 HydrophobicContact CD1-CB 3.76Å; L180-A364 HydrophobicContact CD2-CB 4.25Å; L180-M374 HydrophobicContact CD2-CE 3.74Å; L180-L377 HydrophobicContact CD2-CD1 4.07Å; L180-F378 HydrophobicContact CD2-CZ 4.07Å
181	R	94.7	Very high	96.6	Very high	18 Å²	18	35 Å²	35	7%	0.068	20%	0.203	C	C	.	.			trans	-124.4	139.6	175.9	-54.2	-62	-172.4	155.3	10.1	112.3	D163 I360 I381 D385	D163-R181 WeakPolarHBondContact OD1-CD 3.21Å; D163-R181 IonicContact OD1-CZ 2.83Å; D163-R181 IonicContact OD1-NE 3.92Å; D163-R181 IonicContact OD1-NH1 2.65Å; D163-R181 PolarHBondContact OD1-NH1 2.65Å; D163-R181 VanDerWaalsContact OD1-NH1 3.08Å; R181-I360 WeakPolarHBondContact O-CD1 3.47Å; R181-I381 HydrophobicContact CB-CD1 3.65Å; R181-I381 HydrophobicContact CB-CG2 4.49Å; R181-I381 HydrophobicContact CG-CD1 3.54Å; R181-I381 HydrophobicContact CG-CG1 4.49Å; R181-I381 HydrophobicContact CG-CG2 3.6Å; R181-D385 VanDerWaalsContact CZ-C 3.42Å; R181-D385 PolarHBondContact NH1-O 2.66Å; R181-D385 PolarHBondContact NH1-OXT 3.22Å; R181-D385 PolarHBondContact NH2-O 3.06Å
182	A	95.7	Very high	96.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	-85.3	-15.1	169.9	0	0	0	0	0	113.1	M162 D163 P184 F185 L186 T314 T337	M162-A182 HydrophobicContact CE-CB 3.86Å; M162-A182 HydrophobicContact CG-CB 4.47Å; M162-A182 HydrophobicContact SD-CB 3.89Å; D163-A182 VanDerWaalsContact OD2-CB 3.3Å; D163-A182 WeakPolarHBondContact OD2-CB 3.4Å; D163-A182 PolarHBondContact OD2-N 2.85Å; A182-P184 VanDerWaalsContact C-N 3.32Å; A182-P184 VanDerWaalsContact O-N 3.15Å; A182-F185 WeakPolarHBondContact O-CB 3.33Å; A182-F185 PolarHBondContact O-N 3.42Å; A182-L186 HydrophobicContact CB-CD1 4.25Å; A182-L186 HydrophobicContact CB-CG 4.49Å; A182-L186 PolarHBondContact O-N 3.47Å; A182-L186 VanDerWaalsContact O-N 3.07Å; A182-T314 HydrophobicContact CB-CG2 3.55Å; A182-T337 HydrophobicContact CB-CG2 3.77Å
183	S	94.8	Very high	96.6	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.007	22%	0.216	C	C	.	.	H	α-helix	trans	-51.1	-40	-174.6	67.7	0	0	0	0	114.1	F185 L186 L187 Y216 R219 D385	S183-F185 PolarHBondContact O-N 3.2Å; S183-L186 PolarHBondContact O-N 3.03Å; S183-L187 WeakPolarHBondContact O-CB 3.47Å; S183-L187 WeakPolarHBondContact O-CD1 3.37Å; S183-L187 PolarHBondContact O-N 3.1Å; S183-Y216 WeakPolarHBondContact CA-OH 3.36Å; S183-R219 PolarHBondContact OG-NH1 3.04Å; S183-D385 VanDerWaalsContact CB-OD2 3.28Å; S183-D385 WeakPolarHBondContact CB-OD2 3.42Å; S183-D385 PolarHBondContact OG-OD2 3.17Å
184	P	93.9	Very high	96.6	Very high	53 Å²	53	40.9 Å²	40.9	34%	0.344	21%	0.214	S	C	.	.	H	α-helix	trans	-60	-36.5	178.3	-22.8	36.5	0	0	0	113	A182 Q188 I381	A182-P184 VanDerWaalsContact C-N 3.32Å; A182-P184 VanDerWaalsContact O-N 3.15Å; P184-Q188 WeakPolarHBondContact O-CB 3.4Å; P184-Q188 PolarHBondContact O-N 3.09Å; P184-I381 HydrophobicContact CG-CD1 4.32Å; P184-I381 HydrophobicContact CG-CG1 4.43Å
185	F	95.8	Very high	96.5	Very high	43 Å²	43	39.8 Å²	39.8	19%	0.189	21%	0.205	C	C	.	.	H	α-helix	trans	-75.2	-40.3	179	-65.9	-100.2	0	0	0	111.6	A182 S183 Q188 Y189 V355 I357 L359 I360	A182-F185 WeakPolarHBondContact O-CB 3.33Å; A182-F185 PolarHBondContact O-N 3.42Å; S183-F185 PolarHBondContact O-N 3.2Å; F185-Q188 PolarHBondContact O-N 3.31Å; F185-Y189 PolarHBondContact O-N 2.5Å; F185-V355 HydrophobicContact CB-CG1 3.77Å; F185-I357 HydrophobicContact CG-CG2 4.5Å; F185-L359 HydrophobicContact CE1-CB 4.41Å; F185-L359 HydrophobicContact CE1-CD2 4.2Å; F185-L359 HydrophobicContact CZ-CB 4.42Å; F185-L359 HydrophobicContact CZ-CD2 4.24Å; F185-I360 HydrophobicContact CE2-CB 3.75Å; F185-I360 HydrophobicContact CE2-CD1 4.15Å; F185-I360 HydrophobicContact CE2-CG1 4.42Å; F185-I360 HydrophobicContact CE2-CG2 4Å; F185-I360 HydrophobicContact CZ-CB 3.92Å; F185-I360 HydrophobicContact CZ-CG2 4.3Å
186	L	97.1	Very high	96.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-69.7	-37.7	176.7	-65.8	176.1	0	0	0	111.9	A182 S183 Y189 I190 Y216 V335 T337 V355	A182-L186 HydrophobicContact CB-CD1 4.25Å; A182-L186 HydrophobicContact CB-CG 4.49Å; A182-L186 PolarHBondContact O-N 3.47Å; A182-L186 VanDerWaalsContact O-N 3.07Å; S183-L186 PolarHBondContact O-N 3.03Å; L186-Y189 WeakPolarHBondContact O-CB 3.39Å; L186-Y189 PolarHBondContact O-N 2.83Å; L186-I190 WeakPolarHBondContact O-CG1 3.33Å; L186-I190 PolarHBondContact O-N 3.45Å; L186-Y216 HydrophobicContact CB-CE1 4.11Å; L186-Y216 WeakPolarHBondContact CD1-OH 3.3Å; L186-V335 HydrophobicContact CD2-CG1 4.1Å; L186-T337 HydrophobicContact CD2-CG2 4.33Å; L186-V355 HydrophobicContact CD2-CB 4.47Å; L186-V355 HydrophobicContact CD2-CG2 4.17Å
187	L	96.4	Very high	96.3	Very high	14 Å²	14	42.2 Å²	42.2	7%	0.073	21%	0.212	C	C	.	.	H	α-helix	trans	-64.5	-41.9	172.7	-88	96.9	0	0	0	111.8	S183 Y189 I190 Q191 Y216 R219 L220	S183-L187 WeakPolarHBondContact O-CB 3.47Å; S183-L187 WeakPolarHBondContact O-CD1 3.37Å; S183-L187 PolarHBondContact O-N 3.1Å; L187-Y189 VanDerWaalsContact C-N 3.31Å; L187-I190 PolarHBondContact O-N 3.31Å; L187-Q191 WeakPolarHBondContact O-CG 3.36Å; L187-Q191 PolarHBondContact O-N 3.49Å; L187-Q191 VanDerWaalsContact O-N 3.1Å; L187-Y216 HydrophobicContact CD1-CD1 3.79Å; L187-Y216 HydrophobicContact CD1-CD2 4.34Å; L187-Y216 HydrophobicContact CD1-CE1 3.7Å; L187-Y216 HydrophobicContact CD1-CE2 4.29Å; L187-Y216 HydrophobicContact CD1-CG 4.13Å; L187-Y216 HydrophobicContact CG-CD1 4.22Å; L187-Y216 HydrophobicContact CG-CE1 4.39Å; L187-R219 HydrophobicContact CD2-CB 3.44Å; L187-R219 VanDerWaalsContact CD2-CB 3.44Å; L187-R219 HydrophobicContact CD2-CG 4.29Å; L187-L220 HydrophobicContact CD2-CD2 3.99Å; L187-L220 HydrophobicContact CD2-CG 3.95Å; L187-L220 HydrophobicContact CG-CD2 4.4Å; L187-L220 HydrophobicContact CG-CG 4.42Å
188	Q	95.8	Very high	96.3	Very high	89 Å²	89	48.3 Å²	48.3	42%	0.416	23%	0.233	S	C	.	.	H	α-helix	trans	-59.8	-44.8	174.2	-177.5	178.1	-4.2	0	0	110.6	P184 F185 I190 Q191 E192	P184-Q188 WeakPolarHBondContact O-CB 3.4Å; P184-Q188 PolarHBondContact O-N 3.09Å; F185-Q188 PolarHBondContact O-N 3.31Å; Q188-I190 PolarHBondContact O-N 2.79Å; Q188-Q191 PolarHBondContact O-N 3.01Å; Q188-Q191 VanDerWaalsContact O-N 3.09Å; Q188-E192 VanDerWaalsContact CG-CD 3.44Å; Q188-E192 HydrophobicContact CG-CG 4.2Å; Q188-E192 WeakPolarHBondContact CG-OE1 3.46Å; Q188-E192 PolarHBondContact NE2-OE1 2.87Å; Q188-E192 PolarHBondContact NE2-OE2 3.23Å; Q188-E192 WeakPolarHBondContact O-CB 3.24Å; Q188-E192 WeakPolarHBondContact O-CG 3.27Å; Q188-E192 PolarHBondContact O-N 2.72Å
189	Y	97.9	Very high	96.4	Very high	37 Å²	37	50.4 Å²	50.4	15%	0.145	24%	0.244	C	C	.	.	H	α-helix	trans	-57	-46.4	175.5	-171.1	-86	0	0	0	112.4	F185 L186 L187 Q191 E192 E193 M312 E333 V335 V355	F185-Y189 PolarHBondContact O-N 2.5Å; L186-Y189 WeakPolarHBondContact O-CB 3.39Å; L186-Y189 PolarHBondContact O-N 2.83Å; L187-Y189 VanDerWaalsContact C-N 3.31Å; Y189-Q191 VanDerWaalsContact C-N 3.26Å; Y189-Q191 PolarHBondContact O-N 3.07Å; Y189-E192 PolarHBondContact O-N 2.83Å; Y189-E193 HydrophobicContact CD1-CB 4.21Å; Y189-E193 HydrophobicContact CD2-CB 4.3Å; Y189-E193 HydrophobicContact CD2-CG 3.87Å; Y189-E193 HydrophobicContact CE1-CB 3.89Å; Y189-E193 HydrophobicContact CE1-CG 4.46Å; Y189-E193 HydrophobicContact CE2-CB 4Å; Y189-E193 HydrophobicContact CE2-CG 3.68Å; Y189-E193 HydrophobicContact CG-CB 4.39Å; Y189-E193 HydrophobicContact CG-CG 4.36Å; Y189-E193 WeakPolarHBondContact O-CB 3.26Å; Y189-E193 PolarHBondContact O-N 3.25Å; Y189-M312 HydrophobicContact CD1-CE 4.04Å; Y189-M312 HydrophobicContact CD1-SD 4.47Å; Y189-M312 HydrophobicContact CE1-CE 4.33Å; Y189-E333 PolarHBondContact OH-OE1 3.44Å; Y189-V335 HydrophobicContact CD1-CB 4.47Å; Y189-V335 HydrophobicContact CD1-CG1 3.86Å; Y189-V335 HydrophobicContact CD1-CG2 3.94Å; Y189-V335 HydrophobicContact CD2-CG1 4.34Å; Y189-V335 HydrophobicContact CE1-CB 4.28Å; Y189-V335 HydrophobicContact CE1-CG1 3.92Å; Y189-V335 HydrophobicContact CE1-CG2 3.37Å; Y189-V335 HydrophobicContact CE2-CG1 4.38Å; Y189-V335 HydrophobicContact CG-CG1 4.08Å; Y189-V355 HydrophobicContact CD2-CG2 3.74Å; Y189-V355 HydrophobicContact CE2-CG2 4.38Å; Y189-V355 HydrophobicContact CG-CG2 4.14Å
190	I	97.8	Very high	96.4	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-58.8	-39.4	176.7	-67.6	165.6	0	0	0	111.4	L186 L187 Q188 I194 Y197 Y216 L220 I282 M312	L186-I190 WeakPolarHBondContact O-CG1 3.33Å; L186-I190 PolarHBondContact O-N 3.45Å; L187-I190 PolarHBondContact O-N 3.31Å; Q188-I190 PolarHBondContact O-N 2.79Å; I190-I194 HydrophobicContact CB-CD1 4.39Å; I190-I194 HydrophobicContact CG1-CD1 4.07Å; I190-I194 HydrophobicContact CG2-CD1 4.32Å; I190-I194 WeakPolarHBondContact O-CB 3.44Å; I190-I194 PolarHBondContact O-N 2.97Å; I190-Y197 HydrophobicContact CG2-CD2 4.16Å; I190-Y197 HydrophobicContact CG2-CG 4.21Å; I190-Y216 HydrophobicContact CD1-CD1 4.13Å; I190-Y216 HydrophobicContact CD1-CE1 4.4Å; I190-L220 HydrophobicContact CD1-CD1 3.93Å; I190-L220 HydrophobicContact CG2-CD1 3.94Å; I190-L220 HydrophobicContact CG2-CD2 4.46Å; I190-I282 HydrophobicContact CD1-CG2 4.26Å; I190-I282 HydrophobicContact CG1-CD1 4.48Å; I190-I282 HydrophobicContact CG2-CD1 3.91Å; I190-M312 HydrophobicContact CD1-CG 4.33Å; I190-M312 HydrophobicContact CD1-SD 4.43Å; I190-M312 HydrophobicContact CG1-CE 3.81Å; I190-M312 HydrophobicContact CG1-SD 4.13Å
191	Q	96.9	Very high	96.5	Very high	91 Å²	91	50.3 Å²	50.3	43%	0.425	24%	0.244	S	C	.	.	H	α-helix	trans	-76.1	-33.6	-176.9	-69.8	176.4	-19	0	0	113.4	L187 Q188 Y189 Y197 L220	L187-Q191 WeakPolarHBondContact O-CG 3.36Å; L187-Q191 PolarHBondContact O-N 3.49Å; L187-Q191 VanDerWaalsContact O-N 3.1Å; Q188-Q191 PolarHBondContact O-N 3.01Å; Q188-Q191 VanDerWaalsContact O-N 3.09Å; Y189-Q191 VanDerWaalsContact C-N 3.26Å; Y189-Q191 PolarHBondContact O-N 3.07Å; Q191-Y197 HydrophobicContact CB-CE1 4.37Å; Q191-Y197 HydrophobicContact CG-CE1 4.35Å; Q191-Y197 HydrophobicContact CG-CE2 4.08Å; Q191-L220 HydrophobicContact CG-CD2 3.93Å
192	E	97.1	Very high	96.7	Very high	124 Å²	124	49.5 Å²	49.5	58%	0.579	24%	0.24	S	C	*	.	H	α-helix	trans	-91.9	-41.3	-174.5	-68.6	178	175	0	0	112.4	Q188 Y189	Q188-E192 VanDerWaalsContact CG-CD 3.44Å; Q188-E192 HydrophobicContact CG-CG 4.2Å; Q188-E192 WeakPolarHBondContact CG-OE1 3.46Å; Q188-E192 PolarHBondContact NE2-OE1 2.87Å; Q188-E192 PolarHBondContact NE2-OE2 3.23Å; Q188-E192 WeakPolarHBondContact O-CB 3.24Å; Q188-E192 WeakPolarHBondContact O-CG 3.27Å; Q188-E192 PolarHBondContact O-N 2.72Å; Y189-E192 PolarHBondContact O-N 2.83Å
193	E	97.4	Very high	96.9	Very high	117 Å²	117	49.5 Å²	49.5	55%	0.547	24%	0.24	S	C	.	.	H	α-helix	trans	-105.3	-25.7	-167.8	-61.5	-64.9	142.3	0	0	113.6	Y189 P195	Y189-E193 HydrophobicContact CD1-CB 4.21Å; Y189-E193 HydrophobicContact CD2-CB 4.3Å; Y189-E193 HydrophobicContact CD2-CG 3.87Å; Y189-E193 HydrophobicContact CE1-CB 3.89Å; Y189-E193 HydrophobicContact CE1-CG 4.46Å; Y189-E193 HydrophobicContact CE2-CB 4Å; Y189-E193 HydrophobicContact CE2-CG 3.68Å; Y189-E193 HydrophobicContact CG-CB 4.39Å; Y189-E193 HydrophobicContact CG-CG 4.36Å; Y189-E193 WeakPolarHBondContact O-CB 3.26Å; Y189-E193 PolarHBondContact O-N 3.25Å; E193-P195 VanDerWaalsContact O-CD 3.26Å; E193-P195 WeakPolarHBondContact O-CD 3.38Å
194	I	97.2	Very high	97	Very high	5 Å²	5	49.4 Å²	49.4	3%	0.026	24%	0.24	C	C	.	.	S	Bend	trans	-86.7	113.9	178.5	-60	-174.8	0	0	0	110.6	I190 N196 Y197 I280 I282 Y310 M312	I190-I194 HydrophobicContact CB-CD1 4.39Å; I190-I194 HydrophobicContact CG1-CD1 4.07Å; I190-I194 HydrophobicContact CG2-CD1 4.32Å; I190-I194 WeakPolarHBondContact O-CB 3.44Å; I190-I194 PolarHBondContact O-N 2.97Å; I194-N196 PolarHBondContact O-N 3.31Å; I194-Y197 PolarHBondContact O-N 3.12Å; I194-I280 HydrophobicContact CG2-CD1 4.19Å; I194-I282 HydrophobicContact CD1-CD1 3.93Å; I194-I282 HydrophobicContact CD1-CG1 4.43Å; I194-Y310 HydrophobicContact CD1-CD1 3.57Å; I194-Y310 HydrophobicContact CD1-CD2 4.14Å; I194-Y310 HydrophobicContact CD1-CE1 3.9Å; I194-Y310 HydrophobicContact CD1-CE2 4.4Å; I194-Y310 HydrophobicContact CD1-CG 3.73Å; I194-Y310 HydrophobicContact CG1-CD1 4Å; I194-Y310 HydrophobicContact CG1-CE1 3.81Å; I194-Y310 HydrophobicContact CG2-CE2 4Å; I194-M312 HydrophobicContact CD1-CE 3.51Å
195	P	95.3	Very high	97	Very high	83 Å²	83	48.9 Å²	48.9	54%	0.539	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	137.4	177.4	-17.7	32.4	0	0	0	110.5	E193 Y197 I280	E193-P195 VanDerWaalsContact O-CD 3.26Å; E193-P195 WeakPolarHBondContact O-CD 3.38Å; P195-Y197 PolarHBondContact O-N 3.19Å; P195-I280 WeakPolarHBondContact O-CD1 3.14Å
196	N	95.2	Very high	96.7	Very high	123 Å²	123	48.3 Å²	48.3	66%	0.658	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.2	33.5	177.4	-57.1	-43.2	0	0	0	114.2	I194 R198 N199	I194-N196 PolarHBondContact O-N 3.31Å; N196-R198 PolarHBondContact O-N 3.07Å; N196-N199 PolarHBondContact O-N 2.98Å
197	Y	97.1	Very high	96.4	Very high	35 Å²	35	52.2 Å²	52.2	14%	0.137	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-53.9	-21.2	178.7	81	-89.8	0	0	0	114	I190 Q191 I194 P195 N199 A200 L220	I190-Y197 HydrophobicContact CG2-CD2 4.16Å; I190-Y197 HydrophobicContact CG2-CG 4.21Å; Q191-Y197 HydrophobicContact CB-CE1 4.37Å; Q191-Y197 HydrophobicContact CG-CE1 4.35Å; Q191-Y197 HydrophobicContact CG-CE2 4.08Å; I194-Y197 PolarHBondContact O-N 3.12Å; P195-Y197 PolarHBondContact O-N 3.19Å; Y197-N199 PolarHBondContact O-N 2.55Å; Y197-A200 WeakPolarHBondContact O-CB 3.42Å; Y197-A200 PolarHBondContact O-N 3.2Å; Y197-L220 HydrophobicContact CE2-CD2 4.28Å
198	R	97.4	Very high	96	Very high	152 Å²	152	57.1 Å²	57.1	57%	0.574	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-64.5	-23.8	174	-66	-66.2	-175.2	159.7	0.6	113.9	N196 A200	N196-R198 PolarHBondContact O-N 3.07Å; R198-A200 VanDerWaalsContact C-N 3.27Å
199	N	97.4	Very high	95.8	Very high	69 Å²	69	53 Å²	53	37%	0.369	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-92.4	16.8	171.2	-169.7	36.7	0	0	0	111.9	N196 Y197 G278 R279 I280	N196-N199 PolarHBondContact O-N 2.98Å; Y197-N199 PolarHBondContact O-N 2.55Å; N199-G278 PolarHBondContact ND2-O 3.14Å; N199-R279 WeakPolarHBondContact O-CA 3.49Å; N199-R279 VanDerWaalsContact O-CB 3.28Å; N199-R279 WeakPolarHBondContact O-CB 3.21Å; N199-I280 PolarHBondContact O-N 3.33Å
200	A	98.3	Very high	95.5	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.008	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	161.5	176.6	0	0	0	0	0	112.5	Y197 R198 L222 I280 I282	Y197-A200 WeakPolarHBondContact O-CB 3.42Å; Y197-A200 PolarHBondContact O-N 3.2Å; R198-A200 VanDerWaalsContact C-N 3.27Å; A200-L222 HydrophobicContact CB-CD1 4.1Å; A200-I280 CarbonylContact C-O 3.55Å; A200-I280 WeakPolarHBondContact CA-O 3.4Å; A200-I280 HydrophobicContact CB-CB 3.83Å; A200-I280 HydrophobicContact CB-CG2 4.28Å; A200-I280 WeakPolarHBondContact CB-O 3.43Å; A200-I282 HydrophobicContact CB-CD1 3.68Å; A200-I282 HydrophobicContact CB-CG1 4.08Å
201	V	98.4	Very high	95.3	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.012	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	132.5	168	58.7	0	0	0	0	107.7	V203 A225 V276 R279 I280 A281 I282	V201-V203 HydrophobicContact CG1-CG2 4.31Å; V201-A225 HydrophobicContact CG2-CB 4.01Å; V201-V276 HydrophobicContact CG1-CB 4.16Å; V201-V276 HydrophobicContact CG1-CG1 3.94Å; V201-R279 HydrophobicContact CG1-CB 4.22Å; V201-I280 PolarHBondContact N-O 3.16Å; V201-A281 HydrophobicContact CG1-CB 4.46Å; V201-I282 PolarHBondContact O-N 3.46Å
202	I	98.5	Very high	95.1	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	133.7	175.1	-55.3	-53.6	0	0	0	108.1	A213 A217 L220 L222 G223 L224 A225 I282 V284	I202-A213 HydrophobicContact CG2-CB 3.92Å; I202-A213 WeakPolarHBondContact CG2-O 3.44Å; I202-A217 HydrophobicContact CB-CB 4.1Å; I202-A217 HydrophobicContact CG1-CB 4.05Å; I202-L220 HydrophobicContact CD1-CD1 3.95Å; I202-L222 HydrophobicContact CD1-CD1 4Å; I202-L222 HydrophobicContact CG1-CB 4.35Å; I202-L222 HydrophobicContact CG1-CD1 4.26Å; I202-G223 PolarHBondContact N-O 3.14Å; I202-L224 CarbonylContact O-C 3.56Å; I202-L224 WeakPolarHBondContact O-CA 3.5Å; I202-A225 PolarHBondContact O-N 3Å; I202-I282 CarbonylContact C-O 3.55Å; I202-I282 WeakPolarHBondContact CA-O 3.3Å; I202-I282 HydrophobicContact CD1-CB 3.94Å; I202-I282 HydrophobicContact CD1-CD1 4.17Å; I202-I282 HydrophobicContact CD1-CG2 4.32Å; I202-V284 HydrophobicContact CG2-CB 4.37Å; I202-V284 HydrophobicContact CG2-CG2 3.72Å
203	V	98.3	Very high	95.1	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	129.2	-175.2	-172.9	0	0	0	0	110.2	V201 A225 I227 A281 I282 I283 V284 L301	V201-V203 HydrophobicContact CG1-CG2 4.31Å; V203-A225 CarbonylContact C-O 3.48Å; V203-A225 VanDerWaalsContact CA-O 3.3Å; V203-A225 WeakPolarHBondContact CA-O 3.06Å; V203-A225 HydrophobicContact CG2-CB 4.32Å; V203-I227 HydrophobicContact CG1-CD1 3.88Å; V203-I227 HydrophobicContact CG1-CG1 3.88Å; V203-A281 HydrophobicContact CG2-CB 3.96Å; V203-I282 PolarHBondContact N-O 3.5Å; V203-I283 HydrophobicContact CB-CG1 4.13Å; V203-I283 HydrophobicContact CG1-CG1 4.39Å; V203-I283 VanDerWaalsContact O-CA 3.31Å; V203-I283 WeakPolarHBondContact O-CA 3.39Å; V203-V284 PolarHBondContact O-N 3.24Å; V203-L301 HydrophobicContact CG1-CD1 4.19Å; V203-L301 HydrophobicContact CG1-CD2 4.15Å; V203-L301 HydrophobicContact CG2-CD1 4.29Å; V203-L301 HydrophobicContact CG2-CD2 3.99Å
204	A	97.2	Very high	95	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	127	165.9	0	0	0	0	0	109.8	S206 A209 A210 A213 A225 V226 I227	A204-S206 PolarHBondContact O-N 3.29Å; A204-A209 HydrophobicContact CB-CB 4.32Å; A204-A210 HydrophobicContact CB-CB 4.3Å; A204-A213 HydrophobicContact CB-CB 3.64Å; A204-A225 PolarHBondContact N-O 3.05Å; A204-V226 HydrophobicContact CB-CB 4.41Å; A204-V226 HydrophobicContact CB-CG1 4.18Å; A204-V226 HydrophobicContact CB-CG2 4.11Å; A204-I227 PolarHBondContact O-N 2.73Å
205	K	93.6	Very high	94.9	Very high	41 Å²	41	47.5 Å²	47.5	18%	0.178	24%	0.243	C	C	.	.	S	Bend	trans	-65	-27.2	177.5	-174	177	70.2	78.4	0	113.2	I283 D285 S293 F294 A297	K205-I283 HydrophobicContact CB-CG2 4.09Å; K205-D285 WeakPolarHBondContact CE-OD2 3.19Å; K205-S293 PolarHBondContact NZ-OG 3.32Å; K205-F294 HydrophobicContact CD-CB 4.48Å; K205-F294 HydrophobicContact CD-CD1 3.64Å; K205-F294 HydrophobicContact CD-CD2 3.68Å; K205-F294 HydrophobicContact CD-CE1 3.67Å; K205-F294 HydrophobicContact CD-CE2 3.71Å; K205-F294 HydrophobicContact CD-CG 3.65Å; K205-F294 HydrophobicContact CD-CZ 3.7Å; K205-F294 VanDerWaalsContact CE-CE2 3.45Å; K205-F294 VanDerWaalsContact CE-CZ 3.46Å; K205-A297 HydrophobicContact CG-CB 4.41Å
206	S	91.1	Very high	95	Very high	32 Å²	32	43.7 Å²	43.7	22%	0.224	22%	0.218	C	C	.	.	S	Bend	trans	-150	165.9	178.5	70.2	0	0	0	0	110.2	A204 D208 A209 A210 I227	A204-S206 PolarHBondContact O-N 3.29Å; S206-D208 PolarHBondContact O-N 3.15Å; S206-D208 PolarHBondContact OG-N 3.46Å; S206-A209 PolarHBondContact O-N 3.38Å; S206-A210 PolarHBondContact O-N 2.96Å; S206-I227 WeakPolarHBondContact CA-O 3.42Å
207	P	90.8	Very high	95.1	Very high	82 Å²	82	38.1 Å²	38.1	53%	0.532	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-57.3	-30.9	173	-26.6	36.4	0	0	0	113.5	A209 A210 H228	P207-A209 VanDerWaalsContact C-N 3.3Å; P207-A209 PolarHBondContact O-N 3.41Å; P207-A210 WeakPolarHBondContact O-CB 3.4Å; P207-A210 PolarHBondContact O-N 3.05Å; P207-H228 HydrophobicContact CG-CB 4.36Å
208	D	87.5	Confident	95	Very high	117 Å²	117	41.6 Å²	41.6	63%	0.626	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-66.1	-32.4	177.7	-75.1	-17.6	0	0	0	112	S206 A210	S206-D208 PolarHBondContact O-N 3.15Å; S206-D208 PolarHBondContact OG-N 3.46Å; D208-A210 VanDerWaalsContact C-N 3.33Å
209	A	90.5	Very high	94.9	Very high	2 Å²	2	37.1 Å²	37.1	2%	0.017	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-84.1	-5	176.9	0	0	0	0	0	113.4	A204 S206 P207 K211 R212 A213	A204-A209 HydrophobicContact CB-CB 4.32Å; S206-A209 PolarHBondContact O-N 3.38Å; P207-A209 VanDerWaalsContact C-N 3.3Å; P207-A209 PolarHBondContact O-N 3.41Å; A209-K211 PolarHBondContact O-N 3.46Å; A209-R212 PolarHBondContact O-N 3.16Å; A209-A213 PolarHBondContact O-N 2.95Å
210	A	93.1	Very high	94.8	Very high	23 Å²	23	34 Å²	34	19%	0.19	17%	0.173	C	C	.	.	H	α-helix	trans	-60.8	-39.3	-171.6	0	0	0	0	0	113.6	A204 S206 P207 D208 R212 A213 Q214 V226	A204-A210 HydrophobicContact CB-CB 4.3Å; S206-A210 PolarHBondContact O-N 2.96Å; P207-A210 WeakPolarHBondContact O-CB 3.4Å; P207-A210 PolarHBondContact O-N 3.05Å; D208-A210 VanDerWaalsContact C-N 3.33Å; A210-R212 VanDerWaalsContact C-N 3.33Å; A210-R212 PolarHBondContact O-N 3.44Å; A210-A213 PolarHBondContact O-N 3.3Å; A210-Q214 VanDerWaalsContact O-CB 3.29Å; A210-Q214 WeakPolarHBondContact O-CB 3.26Å; A210-Q214 PolarHBondContact O-N 2.75Å; A210-V226 HydrophobicContact CB-CG2 4.24Å
211	K	92.8	Very high	94.8	Very high	127 Å²	127	44.1 Å²	44.1	55%	0.552	21%	0.211	S	C	*	.	H	α-helix	trans	-61.4	-42.2	178.4	-67.6	-175	-179.4	-178.4	0	112.2	A209 Q214 S215 D384	A209-K211 PolarHBondContact O-N 3.46Å; K211-Q214 WeakPolarHBondContact O-CB 3.49Å; K211-Q214 PolarHBondContact O-N 3.41Å; K211-S215 PolarHBondContact O-N 3.11Å; K211-D384 CarbonylContact C-O 3.5Å; K211-D384 HydrophobicContact CB-CB 4.41Å
212	R	93.9	Very high	94.7	Very high	26 Å²	26	45.2 Å²	45.2	10%	0.098	22%	0.216	C	C	.	.	H	α-helix	trans	-66.7	-48.2	178.1	-171.4	-177.5	-56.4	117.9	-1.9	111.3	A209 A210 Q214 S215 Y216 V284 D285 D286	A209-R212 PolarHBondContact O-N 3.16Å; A210-R212 VanDerWaalsContact C-N 3.33Å; A210-R212 PolarHBondContact O-N 3.44Å; R212-Q214 VanDerWaalsContact C-N 3.28Å; R212-Q214 PolarHBondContact O-N 2.84Å; R212-S215 WeakPolarHBondContact O-CB 3.49Å; R212-S215 PolarHBondContact O-N 3.22Å; R212-Y216 HydrophobicContact CG-CE2 4.27Å; R212-Y216 VanDerWaalsContact O-CD2 3.32Å; R212-Y216 WeakPolarHBondContact O-CD2 3.49Å; R212-Y216 PolarHBondContact O-N 3.35Å; R212-V284 HydrophobicContact CG-CG1 3.99Å; R212-D285 IonicContact NH1-OD1 3.26Å; R212-D285 PolarHBondContact NH1-OD1 2.77Å; R212-D286 VanDerWaalsContact CZ-CB 3.43Å; R212-D286 IonicContact CZ-OD1 2.85Å; R212-D286 VanDerWaalsContact NH1-N 3.13Å; R212-D286 IonicContact NH1-OD1 2.88Å; R212-D286 PolarHBondContact NH1-OD1 2.91Å; R212-D286 VanDerWaalsContact NH2-CB 3.32Å; R212-D286 IonicContact NH2-OD1 3.47Å; R212-D286 PolarHBondContact NH2-OD1 2.92Å; R212-D286 IonicContact NH2-OD2 3.23Å
213	A	96.1	Very high	94.6	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-59.3	-40.6	175.8	0	0	0	0	0	111.8	I202 A204 A209 A210 S215 Y216 A217 L224	I202-A213 HydrophobicContact CG2-CB 3.92Å; I202-A213 WeakPolarHBondContact CG2-O 3.44Å; A204-A213 HydrophobicContact CB-CB 3.64Å; A209-A213 PolarHBondContact O-N 2.95Å; A210-A213 PolarHBondContact O-N 3.3Å; A213-S215 PolarHBondContact O-N 3.41Å; A213-Y216 PolarHBondContact O-N 2.97Å; A213-A217 WeakPolarHBondContact O-CB 3.42Å; A213-A217 PolarHBondContact O-N 3.28Å; A213-L224 HydrophobicContact CB-CD1 3.54Å
214	Q	96.2	Very high	94.6	Very high	82 Å²	82	49.7 Å²	49.7	38%	0.383	25%	0.247	S	C	.	.	H	α-helix	trans	-60.2	-45.3	175	-178	-179.4	-5.8	0	0	111.8	A210 K211 R212 Y216 A217 E218 L224	A210-Q214 VanDerWaalsContact O-CB 3.29Å; A210-Q214 WeakPolarHBondContact O-CB 3.26Å; A210-Q214 PolarHBondContact O-N 2.75Å; K211-Q214 WeakPolarHBondContact O-CB 3.49Å; K211-Q214 PolarHBondContact O-N 3.41Å; R212-Q214 VanDerWaalsContact C-N 3.28Å; R212-Q214 PolarHBondContact O-N 2.84Å; Q214-Y216 VanDerWaalsContact C-N 3.3Å; Q214-Y216 PolarHBondContact O-N 3.34Å; Q214-A217 WeakPolarHBondContact O-CB 3.23Å; Q214-A217 PolarHBondContact O-N 2.99Å; Q214-A217 VanDerWaalsContact O-N 3.14Å; Q214-E218 HydrophobicContact CG-CG 4.33Å; Q214-E218 WeakPolarHBondContact CG-OE1 3.29Å; Q214-E218 PolarHBondContact NE2-OE1 3.26Å; Q214-E218 WeakPolarHBondContact O-CG 3.38Å; Q214-E218 PolarHBondContact O-N 3.32Å; Q214-L224 HydrophobicContact CB-CD2 3.98Å; Q214-L224 HydrophobicContact CG-CD2 4.44Å
215	S	95.1	Very high	94.6	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.007	25%	0.247	C	C	.	.	H	α-helix	trans	-56.6	-42.8	176.6	176	0	0	0	0	112.6	K211 R212 A213 R219 T382 D385	K211-S215 PolarHBondContact O-N 3.11Å; R212-S215 WeakPolarHBondContact O-CB 3.49Å; R212-S215 PolarHBondContact O-N 3.22Å; A213-S215 PolarHBondContact O-N 3.41Å; S215-R219 WeakPolarHBondContact O-CG 3.37Å; S215-R219 PolarHBondContact O-N 3.48Å; S215-R219 PolarHBondContact OG-NE 2.97Å; S215-R219 PolarHBondContact OG-NH2 3.14Å; S215-T382 PolarHBondContact OG-OG1 3.38Å; S215-D385 VanDerWaalsContact CB-OD1 3.25Å; S215-D385 WeakPolarHBondContact CB-OD1 3.42Å; S215-D385 PolarHBondContact OG-OD1 3.25Å
216	Y	96.8	Very high	94.8	Very high	3 Å²	3	49.1 Å²	49.1	1%	0.012	25%	0.248	C	C	.	.	H	α-helix	trans	-66.3	-43.9	175.7	-82.6	-119.7	0	0	0	111.5	S183 L186 L187 I190 R212 A213 Q214 E218 R219 L220 V284	S183-Y216 WeakPolarHBondContact CA-OH 3.36Å; L186-Y216 HydrophobicContact CB-CE1 4.11Å; L186-Y216 WeakPolarHBondContact CD1-OH 3.3Å; L187-Y216 HydrophobicContact CD1-CD1 3.79Å; L187-Y216 HydrophobicContact CD1-CD2 4.34Å; L187-Y216 HydrophobicContact CD1-CE1 3.7Å; L187-Y216 HydrophobicContact CD1-CE2 4.29Å; L187-Y216 HydrophobicContact CD1-CG 4.13Å; L187-Y216 HydrophobicContact CG-CD1 4.22Å; L187-Y216 HydrophobicContact CG-CE1 4.39Å; I190-Y216 HydrophobicContact CD1-CD1 4.13Å; I190-Y216 HydrophobicContact CD1-CE1 4.4Å; R212-Y216 HydrophobicContact CG-CE2 4.27Å; R212-Y216 VanDerWaalsContact O-CD2 3.32Å; R212-Y216 WeakPolarHBondContact O-CD2 3.49Å; R212-Y216 PolarHBondContact O-N 3.35Å; A213-Y216 PolarHBondContact O-N 2.97Å; Q214-Y216 VanDerWaalsContact C-N 3.3Å; Q214-Y216 PolarHBondContact O-N 3.34Å; Y216-E218 PolarHBondContact O-N 3.25Å; Y216-R219 PolarHBondContact O-N 2.81Å; Y216-L220 WeakPolarHBondContact O-CB 3.38Å; Y216-L220 WeakPolarHBondContact O-CG 3.43Å; Y216-L220 PolarHBondContact O-N 3.45Å; Y216-V284 HydrophobicContact CD1-CG1 4.15Å; Y216-V284 HydrophobicContact CD1-CG2 3.89Å; Y216-V284 HydrophobicContact CD2-CG1 3.89Å; Y216-V284 HydrophobicContact CE1-CG1 4.06Å; Y216-V284 HydrophobicContact CE1-CG2 4.32Å; Y216-V284 HydrophobicContact CE2-CG1 3.78Å; Y216-V284 HydrophobicContact CG-CG1 4.06Å; Y216-V284 HydrophobicContact CG-CG2 4.13Å
217	A	97.1	Very high	94.9	Very high	6 Å²	6	47.8 Å²	47.8	5%	0.05	24%	0.238	C	C	.	.	H	α-helix	trans	-60.6	-44.4	179.1	0	0	0	0	0	112	I202 A213 Q214 L220 R221 L222 L224	I202-A217 HydrophobicContact CB-CB 4.1Å; I202-A217 HydrophobicContact CG1-CB 4.05Å; A213-A217 WeakPolarHBondContact O-CB 3.42Å; A213-A217 PolarHBondContact O-N 3.28Å; Q214-A217 WeakPolarHBondContact O-CB 3.23Å; Q214-A217 PolarHBondContact O-N 2.99Å; Q214-A217 VanDerWaalsContact O-N 3.14Å; A217-L220 PolarHBondContact O-N 2.61Å; A217-R221 CarbonylContact O-C 3.59Å; A217-R221 VanDerWaalsContact O-CA 3.29Å; A217-R221 WeakPolarHBondContact O-CA 3.41Å; A217-R221 PolarHBondContact O-N 3.45Å; A217-L222 PolarHBondContact O-N 3.13Å; A217-L224 HydrophobicContact CB-CB 4.26Å
218	E	95.8	Very high	94.7	Very high	108 Å²	108	47.3 Å²	47.3	51%	0.505	23%	0.228	S	C	.	.	H	α-helix	trans	-62.8	-45	179.3	-74.8	178.5	-174.6	0	0	112.1	Q214 Y216 R221	Q214-E218 HydrophobicContact CG-CG 4.33Å; Q214-E218 WeakPolarHBondContact CG-OE1 3.29Å; Q214-E218 PolarHBondContact NE2-OE1 3.26Å; Q214-E218 WeakPolarHBondContact O-CG 3.38Å; Q214-E218 PolarHBondContact O-N 3.32Å; Y216-E218 PolarHBondContact O-N 3.25Å; E218-R221 PolarHBondContact O-N 3.46Å
219	R	94.4	Very high	94.2	Very high	58 Å²	58	43.3 Å²	43.3	22%	0.219	22%	0.215	C	C	.	.	H	α-helix	trans	-71	-36.4	-179.3	-68.8	176.7	-159	-178.3	7.8	113.1	S183 L187 S215 Y216 R221 T382 D385	S183-R219 PolarHBondContact OG-NH1 3.04Å; L187-R219 HydrophobicContact CD2-CB 3.44Å; L187-R219 VanDerWaalsContact CD2-CB 3.44Å; L187-R219 HydrophobicContact CD2-CG 4.29Å; S215-R219 WeakPolarHBondContact O-CG 3.37Å; S215-R219 PolarHBondContact O-N 3.48Å; S215-R219 PolarHBondContact OG-NE 2.97Å; S215-R219 PolarHBondContact OG-NH2 3.14Å; Y216-R219 PolarHBondContact O-N 2.81Å; R219-R221 VanDerWaalsContact C-N 3.32Å; R219-T382 PolarHBondContact NH2-OG1 3.16Å; R219-D385 IonicContact CZ-OD1 3.61Å; R219-D385 IonicContact CZ-OD2 2.83Å; R219-D385 IonicContact NH1-OD1 3.75Å; R219-D385 IonicContact NH1-OD2 2.76Å; R219-D385 PolarHBondContact NH1-OD2 2.96Å; R219-D385 IonicContact NH2-OD1 2.76Å; R219-D385 PolarHBondContact NH2-OD1 3.48Å; R219-D385 IonicContact NH2-OD2 3.54Å; R219-D385 PolarHBondContact NH2-OD2 3.25Å
220	L	96	Very high	93	Very high	3 Å²	3	47.5 Å²	47.5	2%	0.016	23%	0.234	C	C	.	.	H	α-helix	trans	-82.8	-12.6	176.6	-64.7	172.1	0	0	0	112.7	L187 I190 Q191 Y197 I202 Y216 A217 L222	L187-L220 HydrophobicContact CD2-CD2 3.99Å; L187-L220 HydrophobicContact CD2-CG 3.95Å; L187-L220 HydrophobicContact CG-CD2 4.4Å; L187-L220 HydrophobicContact CG-CG 4.42Å; I190-L220 HydrophobicContact CD1-CD1 3.93Å; I190-L220 HydrophobicContact CG2-CD1 3.94Å; I190-L220 HydrophobicContact CG2-CD2 4.46Å; Q191-L220 HydrophobicContact CG-CD2 3.93Å; Y197-L220 HydrophobicContact CE2-CD2 4.28Å; I202-L220 HydrophobicContact CD1-CD1 3.95Å; Y216-L220 WeakPolarHBondContact O-CB 3.38Å; Y216-L220 WeakPolarHBondContact O-CG 3.43Å; Y216-L220 PolarHBondContact O-N 3.45Å; A217-L220 PolarHBondContact O-N 2.61Å; L220-L222 HydrophobicContact CB-CB 4.47Å; L220-L222 HydrophobicContact CB-CD1 3.69Å; L220-L222 HydrophobicContact CB-CG 3.72Å; L220-L222 HydrophobicContact CD1-CD1 4.01Å; L220-L222 HydrophobicContact CG-CD1 4.48Å
221	R	96.9	Very high	91.1	Very high	213 Å²	213	48.4 Å²	48.4	80%	0.804	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	48.8	-172.3	-52.9	179.8	-174	164.5	0.5	111.7	A217 E218 R219	A217-R221 CarbonylContact O-C 3.59Å; A217-R221 VanDerWaalsContact O-CA 3.29Å; A217-R221 WeakPolarHBondContact O-CA 3.41Å; A217-R221 PolarHBondContact O-N 3.45Å; E218-R221 PolarHBondContact O-N 3.46Å; R219-R221 VanDerWaalsContact C-N 3.32Å
222	L	97.6	Very high	88.8	Confident	25 Å²	25	52.2 Å²	52.2	13%	0.131	26%	0.261	C	S	.	.			trans	-114.1	167.9	-179.1	-61.6	178.4	0	0	0	111.1	A200 I202 A217 L220	A200-L222 HydrophobicContact CB-CD1 4.1Å; I202-L222 HydrophobicContact CD1-CD1 4Å; I202-L222 HydrophobicContact CG1-CB 4.35Å; I202-L222 HydrophobicContact CG1-CD1 4.26Å; A217-L222 PolarHBondContact O-N 3.13Å; L220-L222 HydrophobicContact CB-CB 4.47Å; L220-L222 HydrophobicContact CB-CD1 3.69Å; L220-L222 HydrophobicContact CB-CG 3.72Å; L220-L222 HydrophobicContact CD1-CD1 4.01Å; L220-L222 HydrophobicContact CG-CD1 4.48Å
223	G	97	Very high	86	Confident	32 Å²	32	54.7 Å²	54.7	33%	0.33	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	160.3	170	0	0	0	0	0	112	I202	I202-G223 PolarHBondContact N-O 3.14Å
224	L	97.7	Very high	83	Confident	62 Å²	62	61.3 Å²	61.3	33%	0.325	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	135.7	173.4	177.4	66.9	0	0	0	109.2	I202 A213 Q214 A217 V226	I202-L224 CarbonylContact O-C 3.56Å; I202-L224 WeakPolarHBondContact O-CA 3.5Å; A213-L224 HydrophobicContact CB-CD1 3.54Å; Q214-L224 HydrophobicContact CB-CD2 3.98Å; Q214-L224 HydrophobicContact CG-CD2 4.44Å; A217-L224 HydrophobicContact CB-CB 4.26Å; L224-V226 HydrophobicContact CD2-CG2 4.47Å; L224-V226 HydrophobicContact CG-CG2 4.33Å
225	A	97.4	Very high	80.1	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	152.1	164.9	0	0	0	0	0	109.8	V201 I202 V203 A204 V272 V273 V276	V201-A225 HydrophobicContact CG2-CB 4.01Å; I202-A225 PolarHBondContact O-N 3Å; V203-A225 CarbonylContact C-O 3.48Å; V203-A225 VanDerWaalsContact CA-O 3.3Å; V203-A225 WeakPolarHBondContact CA-O 3.06Å; V203-A225 HydrophobicContact CG2-CB 4.32Å; A204-A225 PolarHBondContact N-O 3.05Å; A225-V272 HydrophobicContact CB-CG1 4.24Å; A225-V273 CarbonylContact C-O 3.57Å; A225-V273 WeakPolarHBondContact CA-O 3.25Å; A225-V276 HydrophobicContact CB-CG1 3.69Å
226	V	96.8	Very high	77.4	Confident	30 Å²	30	70.4 Å²	70.4	18%	0.182	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	131.3	-179.3	-178.4	0	0	0	0	108.7	A204 A210 L224 V273	A204-V226 HydrophobicContact CB-CB 4.41Å; A204-V226 HydrophobicContact CB-CG1 4.18Å; A204-V226 HydrophobicContact CB-CG2 4.11Å; A210-V226 HydrophobicContact CB-CG2 4.24Å; L224-V226 HydrophobicContact CD2-CG2 4.47Å; L224-V226 HydrophobicContact CG-CG2 4.33Å; V226-V273 PolarHBondContact N-O 3.16Å; V226-V273 PolarHBondContact O-N 2.86Å
227	I	93.5	Very high	74.7	Confident	3 Å²	3	75.8 Å²	75.8	2%	0.015	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	134.4	173.2	-58.6	179	0	0	0	108.4	V203 A204 S206 I270 T271 V272 A297 I300 L301	V203-I227 HydrophobicContact CG1-CD1 3.88Å; V203-I227 HydrophobicContact CG1-CG1 3.88Å; A204-I227 PolarHBondContact O-N 2.73Å; S206-I227 WeakPolarHBondContact CA-O 3.42Å; I227-I270 HydrophobicContact CG2-CD1 3.87Å; I227-I270 HydrophobicContact CG2-CG1 3.59Å; I227-T271 WeakPolarHBondContact CA-O 3.34Å; I227-V272 HydrophobicContact CG1-CG2 4.22Å; I227-A297 HydrophobicContact CD1-CB 3.39Å; I227-I300 HydrophobicContact CD1-CG2 4.25Å; I227-L301 HydrophobicContact CD1-CD1 4.32Å; I227-L301 HydrophobicContact CD1-CG 4.3Å
228	H	87.4	Confident	72.3	Confident	72 Å²	72	81.6 Å²	81.6	33%	0.333	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	160.3	172.8	81.5	73.3	0	0	0	111.4	P207 I270 T271	P207-H228 HydrophobicContact CG-CB 4.36Å; H228-I270 CarbonylContact O-C 3.57Å; H228-I270 WeakPolarHBondContact O-CA 3.32Å; H228-T271 PolarHBondContact CE1-OG1 2.97Å; H228-T271 PolarHBondContact N-O 3.24Å; H228-T271 PolarHBondContact ND1-OG1 3.29Å; H228-T271 PolarHBondContact NE2-OG1 2.91Å; H228-T271 PolarHBondContact O-N 3.35Å; H228-T271 PolarHBondContact O-OG1 3.26Å
229	G	76.8	Confident	69.9	Low	33 Å²	33	81.8 Å²	81.8	34%	0.34	43%	0.429	S	S	.	.	S	Bend	trans	96.2	172.3	-174.7	0	0	0	0	0	112	P268	G229-P268 VanDerWaalsContact CA-O 3.26Å; G229-P268 WeakPolarHBondContact CA-O 3.3Å
230	E	65.6	Low	67.7	Low	91 Å²	91	82.4 Å²	82.4	43%	0.425	44%	0.437	S	S	.	.	B	Isolated β-bridge	trans	-113.7	137.4	177.9	-68.7	178.9	-165.7	0	0	108.3	K267 P268 I270	E230-K267 HydrophobicContact CG-CD 4.43Å; E230-K267 IonicContact OE1-NZ 3.77Å; E230-K267 WeakPolarHBondContact OE2-CD 3.24Å; E230-K267 WeakPolarHBondContact OE2-CE 3.45Å; E230-K267 IonicContact OE2-NZ 3.31Å; E230-K267 PolarHBondContact OE2-NZ 2.84Å; E230-P268 PolarHBondContact N-O 2.93Å; E230-I270 PolarHBondContact O-N 3.19Å
231	A	53.2	Low	65.6	Low	42 Å²	42	85 Å²	85	35%	0.347	46%	0.464	S	S	.	.			trans	-63.5	144.3	164.6	0	0	0	0	0	107.7	C233 A296	A231-C233 PolarHBondContact O-N 3.5Å; A231-A296 HydrophobicContact CB-CB 4.07Å
232	Q	43.9	Very low	63.4	Low	206 Å²	206	79.7 Å²	79.7	96%	0.963	44%	0.444	S	S	*	.	S	Bend	trans	-66.1	75.6	170.3	-77.4	-179.7	-4	0	0	109.6
233	C	34.8	Very low	61	Low	78 Å²	78	85.3 Å²	85.3	53%	0.527	47%	0.469	S	S	.	.			trans	-121.3	133.7	160.7	-90.1	0	0	0	0	105.8	A231 E235	A231-C233 PolarHBondContact O-N 3.5Å; C233-E235 PolarHBondContact O-N 2.99Å
234	T	33.1	Very low	58.8	Low	139 Å²	139	88.6 Å²	88.6	85%	0.853	49%	0.487	S	S	*	.			trans	-56.2	81	176.1	33.6	0	0	0	0	111	L236	T234-L236 PolarHBondContact O-N 3.27Å
235	E	35.6	Very low	56.6	Low	141 Å²	141	91 Å²	91	66%	0.659	51%	0.507	S	S	*	.			trans	-54.2	111.1	132.8	-73.5	-93.3	145.5	0	0	103.2	C233 D237	C233-E235 PolarHBondContact O-N 2.99Å; E235-D237 PolarHBondContact O-N 3.42Å
236	L	38.2	Very low	54.1	Low	134 Å²	134	96.8 Å²	96.8	70%	0.702	54%	0.544	S	S	*	.			trans	-52.4	95.8	153	-70.9	161.1	0	0	0	103.6	T234 M238	T234-L236 PolarHBondContact O-N 3.27Å; L236-M238 HydrophobicContact CB-CG 3.64Å; L236-M238 PolarHBondContact O-N 3.48Å
237	D	39.6	Very low	51.5	Low	115 Å²	115	102.6 Å²	102.6	62%	0.615	57%	0.571	S	S	*	*			trans	-58.6	76.7	154.7	-80	-25.9	0	0	0	103.6	E235 D239 K267	E235-D237 PolarHBondContact O-N 3.42Å; D237-D239 PolarHBondContact O-N 2.89Å; D237-K267 WeakPolarHBondContact OD1-CE 3.26Å; D237-K267 IonicContact OD1-NZ 2.65Å; D237-K267 PolarHBondContact OD1-NZ 2.95Å; D237-K267 IonicContact OD2-NZ 3.05Å
238	M	47.9	Very low	49.1	Very low	128 Å²	128	108.1 Å²	108.1	63%	0.631	61%	0.605	S	S	*	*			trans	-72.4	80.9	168.1	-64.2	-169	86.9	0	0	103	K138 L236 D240	K138-M238 PolarHBondContact NZ-O 3.1Å; L236-M238 HydrophobicContact CB-CG 3.64Å; L236-M238 PolarHBondContact O-N 3.48Å; M238-D240 PolarHBondContact O-N 2.94Å; M238-D240 VanDerWaalsContact O-N 3.07Å
239	D	45	Very low	47.1	Very low	112 Å²	112	114.6 Å²	114.6	60%	0.599	63%	0.632	S	S	*	*			trans	-32.4	114.8	150.8	-174.1	25.4	0	0	0	105.9	D237 G241 H243	D237-D239 PolarHBondContact O-N 2.89Å; D239-G241 PolarHBondContact O-N 3.14Å; D239-H243 IonicContact OD1-CE1 2.85Å; D239-H243 IonicContact OD1-ND1 3.83Å; D239-H243 IonicContact OD2-ND1 3.88Å
240	D	47.5	Very low	45.5	Very low	71 Å²	71	120.3 Å²	120.3	38%	0.38	66%	0.655	S	S	.	*			trans	-75.5	13.5	-163.5	72.3	-12.3	0	0	0	112.3	K138 M238 R242	K138-D240 HydrophobicContact CD-CB 4.23Å; M238-D240 PolarHBondContact O-N 2.94Å; M238-D240 VanDerWaalsContact O-N 3.07Å; D240-R242 WeakPolarHBondContact O-CG 3.28Å; D240-R242 PolarHBondContact O-N 3.43Å; D240-R242 WeakPolarHBondContact OD1-CB 3.5Å; D240-R242 PolarHBondContact OD1-N 2.77Å; D240-R242 VanDerWaalsContact OD2-CD 3.31Å; D240-R242 WeakPolarHBondContact OD2-CD 3.13Å; D240-R242 IonicContact OD2-CZ 3.86Å; D240-R242 IonicContact OD2-NE 3.9Å; D240-R242 PolarHBondContact OD2-NE 2.52Å; D240-R242 IonicContact OD2-NH1 3.78Å; D240-R242 IonicContact OD2-NH2 3.7Å
241	G	51.5	Low	44.3	Very low	57 Å²	57	118.5 Å²	118.5	59%	0.588	66%	0.655	S	S	*	*	S	Bend	trans	58.9	19.6	177.5	0	0	0	0	0	112.4	D239	D239-G241 PolarHBondContact O-N 3.14Å
242	R	51.1	Low	43.9	Very low	103 Å²	103	122.8 Å²	122.8	39%	0.389	68%	0.678	S	S	.	*			trans	-97.9	16.2	179.3	-62.4	-177.1	-160.3	164.8	16.4	113.9	R139 D240 S244	R139-R242 VanDerWaalsContact NE-NE 3.19Å; R139-R242 VanDerWaalsContact NE-NH2 3.11Å; R139-R242 VanDerWaalsContact NH2-CD 3.31Å; R139-R242 VanDerWaalsContact NH2-NE 3.13Å; D240-R242 WeakPolarHBondContact O-CG 3.28Å; D240-R242 PolarHBondContact O-N 3.43Å; D240-R242 WeakPolarHBondContact OD1-CB 3.5Å; D240-R242 PolarHBondContact OD1-N 2.77Å; D240-R242 VanDerWaalsContact OD2-CD 3.31Å; D240-R242 WeakPolarHBondContact OD2-CD 3.13Å; D240-R242 IonicContact OD2-CZ 3.86Å; D240-R242 IonicContact OD2-NE 3.9Å; D240-R242 PolarHBondContact OD2-NE 2.52Å; D240-R242 IonicContact OD2-NH1 3.78Å; D240-R242 IonicContact OD2-NH2 3.7Å; R242-S244 PolarHBondContact O-N 3.19Å
243	H	48.4	Very low	43.8	Very low	142 Å²	142	119.3 Å²	119.3	66%	0.657	67%	0.67	S	S	*	*	S	Bend	trans	-55.4	121.5	141.2	-66.1	91.3	0	0	0	106.2	D239	D239-H243 IonicContact OD1-CE1 2.85Å; D239-H243 IonicContact OD1-ND1 3.83Å; D239-H243 IonicContact OD2-ND1 3.88Å
244	S	49.4	Very low	44.4	Very low	101 Å²	101	123.8 Å²	123.8	71%	0.706	68%	0.683	S	S	*	*			trans	-45	144.1	165.9	-52.2	0	0	0	0	108	R242 P246	R242-S244 PolarHBondContact O-N 3.19Å; S244-P246 VanDerWaalsContact O-N 3.16Å
245	P	51.5	Low	45.1	Very low	112 Å²	112	123.3 Å²	123.3	73%	0.727	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-46.1	132.5	175.7	18.3	-30.2	0	0	0	108.1	M247	P245-M247 PolarHBondContact O-N 2.88Å
246	P	45.6	Very low	45.9	Very low	122 Å²	122	119.8 Å²	119.8	79%	0.792	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-50	127	-176.2	19.1	-30.5	0	0	0	107.2	S244 V248	S244-P246 VanDerWaalsContact O-N 3.16Å; P246-V248 PolarHBondContact O-N 2.85Å
247	M	41.8	Very low	46.5	Very low	153 Å²	153	120.8 Å²	120.8	75%	0.754	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-48.2	118.6	179	-81	175.6	57.5	0	0	107.4	P245 K249 A251	P245-M247 PolarHBondContact O-N 2.88Å; M247-K249 PolarHBondContact O-N 3.35Å; M247-A251 HydrophobicContact CE-CB 3.3Å
248	V	42.5	Very low	47	Very low	119 Å²	119	124.7 Å²	124.7	72%	0.721	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-48.1	132.2	170.2	-176.3	0	0	0	0	106	P246 N250	P246-V248 PolarHBondContact O-N 2.85Å; V248-N250 PolarHBondContact O-N 2.92Å
249	K	45.3	Very low	47.2	Very low	207 Å²	207	125.4 Å²	125.4	90%	0.9	71%	0.709	S	S	*	*	S	Bend	trans	-61.5	25.7	-171.6	-71	-176.9	174.4	179.6	0	115.6	M247	M247-K249 PolarHBondContact O-N 3.35Å
250	N	43.7	Very low	47.6	Very low	153 Å²	153	125.4 Å²	125.4	82%	0.818	72%	0.715	S	S	*	*			trans	-122.1	42.5	179.8	-68.4	1.4	0	0	0	111.5	V248	V248-N250 PolarHBondContact O-N 2.92Å
251	A	40.6	Very low	47.7	Very low	53 Å²	53	130.1 Å²	130.1	44%	0.438	74%	0.739	S	S	.	*	S	Bend	trans	-117.7	115.7	164.6	0	0	0	0	0	108.5	M247 V253	M247-A251 HydrophobicContact CE-CB 3.3Å; A251-V253 PolarHBondContact O-N 2.98Å
252	T	44.3	Very low	47.4	Very low	133 Å²	133	135.8 Å²	135.8	82%	0.816	75%	0.753	S	S	*	*			trans	-46.4	120.1	167.5	39.8	0	0	0	0	110.1	H254	T252-H254 PolarHBondContact O-N 3.29Å; T252-H254 VanDerWaalsContact O-N 3.17Å
253	V	42.4	Very low	47.1	Very low	133 Å²	133	139.5 Å²	139.5	81%	0.806	78%	0.777	S	S	*	*			trans	-57.5	114.4	177.8	177.6	0	0	0	0	109	A251 P255	A251-V253 PolarHBondContact O-N 2.98Å; V253-P255 WeakPolarHBondContact O-CD 3.44Å
254	H	46.6	Very low	47.3	Very low	172 Å²	172	137.2 Å²	137.2	80%	0.796	78%	0.783	S	S	*	*			trans	-71.4	119.2	160	-85.8	-79.7	0	0	0	107.6	T252 G256	T252-H254 PolarHBondContact O-N 3.29Å; T252-H254 VanDerWaalsContact O-N 3.17Å; H254-G256 PolarHBondContact O-N 3.2Å
255	P	49.1	Very low	47.3	Very low	128 Å²	128	141.6 Å²	141.6	83%	0.831	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	97.6	178.6	30.3	-29.1	0	0	0	107.7	V253	V253-P255 WeakPolarHBondContact O-CD 3.44Å
256	G	51.3	Low	47.3	Very low	67 Å²	67	145 Å²	145	69%	0.691	80%	0.795	S	S	*	*	T	Hydrogen-bonded Turn	trans	174.5	-17.9	174.7	0	0	0	0	0	119.3	H254	H254-G256 PolarHBondContact O-N 3.2Å
257	L	52.2	Low	47.8	Very low	156 Å²	156	143.3 Å²	143.3	82%	0.817	78%	0.775	S	S	*	*			trans	-135.3	83.3	-179.9	-114.7	90.8	0	0	0	111.2	L259	L257-L259 PolarHBondContact O-N 2.99Å
258	E	48.3	Very low	48.6	Very low	196 Å²	196	139.1 Å²	139.1	92%	0.916	76%	0.759	S	S	*	*			trans	-78.2	104.8	157.2	-76.9	-172.4	163.4	0	0	107.7
259	L	54	Low	50.2	Low	143 Å²	143	137.9 Å²	137.9	75%	0.749	75%	0.754	S	S	*	*			trans	-68.8	129	166.9	-75.8	163.4	0	0	0	107.8	L257 L261	L257-L259 PolarHBondContact O-N 2.99Å; L259-L261 PolarHBondContact O-N 2.62Å
260	P	53.1	Low	52	Low	112 Å²	112	130.1 Å²	130.1	73%	0.727	72%	0.722	S	S	*	*			trans	-55.8	129	174.4	-22.8	32	0	0	0	110.1	M262	P260-M262 PolarHBondContact O-N 3.08Å
261	L	49	Very low	54.1	Low	170 Å²	170	124.6 Å²	124.6	89%	0.89	69%	0.694	S	S	*	*			trans	-61.1	104.2	167.1	-114.9	109.1	0	0	0	107.4	L259 M263	L259-L261 PolarHBondContact O-N 2.62Å; L261-M263 PolarHBondContact O-N 2.84Å
262	M	45.8	Very low	56.6	Low	177 Å²	177	123 Å²	123	87%	0.872	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-65.8	118.6	171.5	-67.6	-168.7	76	0	0	107.4	P260 A264	P260-M262 PolarHBondContact O-N 3.08Å; M262-A264 PolarHBondContact O-N 3.4Å
263	M	44.4	Very low	59	Low	181 Å²	181	120.7 Å²	120.7	89%	0.892	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-57.6	135.4	172.8	-59.1	-155.2	95.9	0	0	108.6	L261 K265	L261-M263 PolarHBondContact O-N 2.84Å; M263-K265 PolarHBondContact O-N 3.18Å
264	A	51.9	Low	61.4	Low	94 Å²	94	116.4 Å²	116.4	78%	0.777	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-52.9	126.6	172.2	0	0	0	0	0	108	M262 E266	M262-A264 PolarHBondContact O-N 3.4Å; A264-E266 VanDerWaalsContact C-N 3.33Å; A264-E266 PolarHBondContact O-N 3.14Å
265	K	50.1	Low	63.7	Low	193 Å²	193	112.8 Å²	112.8	84%	0.839	63%	0.634	S	S	*	*			trans	-68.3	94.4	178.8	-172.7	178.4	-178.5	-179.9	0	107.4	M263 K267	M263-K265 PolarHBondContact O-N 3.18Å; K265-K267 PolarHBondContact O-N 3.2Å; K265-K267 VanDerWaalsContact O-N 3.16Å
266	E	50.9	Low	66	Low	184 Å²	184	106.9 Å²	106.9	86%	0.86	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-55.3	121.7	169	-82.3	-173.7	160.5	0	0	108	A264	A264-E266 VanDerWaalsContact C-N 3.33Å; A264-E266 PolarHBondContact O-N 3.14Å
267	K	56.3	Low	68.2	Low	85 Å²	85	105.2 Å²	105.2	37%	0.37	58%	0.578	S	S	.	*	P	Polyproline II helix	trans	-72.9	132.5	-178.2	-59.6	-173.7	-164.5	171.8	0	108.4	E230 D237 K265	E230-K267 HydrophobicContact CG-CD 4.43Å; E230-K267 IonicContact OE1-NZ 3.77Å; E230-K267 WeakPolarHBondContact OE2-CD 3.24Å; E230-K267 WeakPolarHBondContact OE2-CE 3.45Å; E230-K267 IonicContact OE2-NZ 3.31Å; E230-K267 PolarHBondContact OE2-NZ 2.84Å; D237-K267 WeakPolarHBondContact OD1-CE 3.26Å; D237-K267 IonicContact OD1-NZ 2.65Å; D237-K267 PolarHBondContact OD1-NZ 2.95Å; D237-K267 IonicContact OD2-NZ 3.05Å; K265-K267 PolarHBondContact O-N 3.2Å; K265-K267 VanDerWaalsContact O-N 3.16Å
268	P	58.7	Low	70.3	Confident	65 Å²	65	100 Å²	100	42%	0.422	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-67.1	146.3	-176.9	26.8	-33.1	0	0	0	110.9	G229 E230	G229-P268 VanDerWaalsContact CA-O 3.26Å; G229-P268 WeakPolarHBondContact CA-O 3.3Å; E230-P268 PolarHBondContact N-O 2.93Å
269	P	75.7	Confident	72.7	Confident	94 Å²	94	94.4 Å²	94.4	61%	0.61	53%	0.532	S	S	*	.	B	Isolated β-bridge	trans	-60.9	155.4	175.3	27.1	-34.6	0	0	0	111.1	T271	P269-T271 PolarHBondContact O-N 3.41Å
270	I	82.6	Confident	74.8	Confident	43 Å²	43	87.7 Å²	87.7	22%	0.221	50%	0.497	C	S	.	.	P	Polyproline II helix	trans	-57.5	125.9	175.6	-166.8	171.6	0	0	0	110.7	I227 H228 E230 A296 I300	I227-I270 HydrophobicContact CG2-CD1 3.87Å; I227-I270 HydrophobicContact CG2-CG1 3.59Å; H228-I270 CarbonylContact O-C 3.57Å; H228-I270 WeakPolarHBondContact O-CA 3.32Å; E230-I270 PolarHBondContact O-N 3.19Å; I270-A296 HydrophobicContact CD1-CB 4.11Å; I270-I300 HydrophobicContact CD1-CG2 4.24Å; I270-I300 HydrophobicContact CG1-CG2 4.45Å
271	T	89.4	Confident	76.9	Confident	38 Å²	38	82.4 Å²	82.4	23%	0.233	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	156.5	-178.3	49.4	0	0	0	0	110.6	I227 H228 P269	I227-T271 WeakPolarHBondContact CA-O 3.34Å; H228-T271 PolarHBondContact CE1-OG1 2.97Å; H228-T271 PolarHBondContact N-O 3.24Å; H228-T271 PolarHBondContact ND1-OG1 3.29Å; H228-T271 PolarHBondContact NE2-OG1 2.91Å; H228-T271 PolarHBondContact O-N 3.35Å; H228-T271 PolarHBondContact O-OG1 3.26Å; P269-T271 PolarHBondContact O-N 3.41Å
272	V	93.2	Very high	79.3	Confident	18 Å²	18	74.3 Å²	74.3	11%	0.109	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	128.6	-179.3	-177.7	0	0	0	0	108.8	A225 I227 V276 I300 L301 R304	A225-V272 HydrophobicContact CB-CG1 4.24Å; I227-V272 HydrophobicContact CG1-CG2 4.22Å; V272-V276 HydrophobicContact CG1-CG1 3.95Å; V272-I300 HydrophobicContact CG2-CB 4.45Å; V272-I300 HydrophobicContact CG2-CG1 3.73Å; V272-I300 HydrophobicContact CG2-CG2 3.92Å; V272-L301 HydrophobicContact CG1-CD2 4.41Å; V272-L301 HydrophobicContact CG2-CD2 4.35Å; V272-R304 HydrophobicContact CG2-CG 4.33Å
273	V	94.2	Very high	81.8	Confident	85 Å²	85	65.9 Å²	65.9	52%	0.515	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	111.8	170.7	177.6	0	0	0	0	108.1	A225 V226	A225-V273 CarbonylContact C-O 3.57Å; A225-V273 WeakPolarHBondContact CA-O 3.25Å; V226-V273 PolarHBondContact N-O 3.16Å; V226-V273 PolarHBondContact O-N 2.86Å
274	G	93.1	Very high	84.3	Confident	44 Å²	44	57.2 Å²	57.2	45%	0.454	34%	0.336	S	S	.	.	S	Bend	trans	129.7	159.3	-176.1	0	0	0	0	0	112.2
275	D	95	Very high	86.4	Confident	96 Å²	96	53.4 Å²	53.4	51%	0.513	30%	0.303	S	S	.	.			trans	-85.7	118	177.3	175.9	36.5	0	0	0	111	G277 R279	D275-G277 PolarHBondContact OD1-N 2.91Å; D275-R279 IonicContact OD2-CZ 3.51Å; D275-R279 IonicContact OD2-NE 3.14Å; D275-R279 PolarHBondContact OD2-NE 3.12Å; D275-R279 IonicContact OD2-NH2 3.98Å; D275-R279 PolarHBondContact OD2-NH2 3.37Å
276	V	96.9	Very high	88.6	Confident	4 Å²	4	44.4 Å²	44.4	2%	0.024	26%	0.264	C	S	.	.			trans	-121.7	-4.8	-179.8	-54.4	0	0	0	0	113	V201 A225 V272 R279 L301 R304	V201-V276 HydrophobicContact CG1-CB 4.16Å; V201-V276 HydrophobicContact CG1-CG1 3.94Å; A225-V276 HydrophobicContact CB-CG1 3.69Å; V272-V276 HydrophobicContact CG1-CG1 3.95Å; V276-R279 PolarHBondContact O-N 2.76Å; V276-L301 HydrophobicContact CB-CD2 4.22Å; V276-L301 HydrophobicContact CG1-CD2 3.85Å; V276-L301 HydrophobicContact CG2-CD2 4.21Å; V276-R304 HydrophobicContact CG2-CB 3.39Å; V276-R304 HydrophobicContact CG2-CG 4.41Å
277	G	96.8	Very high	90.8	Very high	32 Å²	32	36.2 Å²	36.2	33%	0.33	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	131.1	-173.1	0	0	0	0	0	112.3	D275 R279 R304	D275-G277 PolarHBondContact OD1-N 2.91Å; G277-R279 PolarHBondContact O-N 2.77Å; G277-R304 WeakPolarHBondContact CA-O 3.39Å
278	G	96.9	Very high	92.7	Very high	46 Å²	46	32.2 Å²	32.2	47%	0.474	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	14.2	180	0	0	0	0	0	114.4	N199 G305 Y307	N199-G278 PolarHBondContact ND2-O 3.14Å; G278-G305 PolarHBondContact N-O 3.07Å; G278-Y307 WeakPolarHBondContact O-CE1 3.45Å
279	R	97.9	Very high	94.4	Very high	78 Å²	78	30.6 Å²	30.6	29%	0.294	20%	0.196	S	C	.	.	S	Bend	trans	-115.8	164.3	-178.1	-63.5	-179.1	-164.9	-129.2	8.3	112	N199 V201 D275 V276 G277 A306 Y307	N199-R279 WeakPolarHBondContact O-CA 3.49Å; N199-R279 VanDerWaalsContact O-CB 3.28Å; N199-R279 WeakPolarHBondContact O-CB 3.21Å; V201-R279 HydrophobicContact CG1-CB 4.22Å; D275-R279 IonicContact OD2-CZ 3.51Å; D275-R279 IonicContact OD2-NE 3.14Å; D275-R279 PolarHBondContact OD2-NE 3.12Å; D275-R279 IonicContact OD2-NH2 3.98Å; D275-R279 PolarHBondContact OD2-NH2 3.37Å; V276-R279 PolarHBondContact O-N 2.76Å; G277-R279 PolarHBondContact O-N 2.77Å; R279-A306 WeakPolarHBondContact O-CA 3.23Å; R279-Y307 VanDerWaalsContact O-CD1 3.24Å; R279-Y307 WeakPolarHBondContact O-CD1 3.35Å; R279-Y307 PolarHBondContact O-N 2.82Å; R279-Y307 VanDerWaalsContact O-N 3.15Å
280	I	98.6	Very high	95	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.015	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	127.8	164.6	-55	-179.1	0	0	0	107.3	I194 P195 N199 A200 V201 I282 Y307 K308 Y310	I194-I280 HydrophobicContact CG2-CD1 4.19Å; P195-I280 WeakPolarHBondContact O-CD1 3.14Å; N199-I280 PolarHBondContact O-N 3.33Å; A200-I280 CarbonylContact C-O 3.55Å; A200-I280 WeakPolarHBondContact CA-O 3.4Å; A200-I280 HydrophobicContact CB-CB 3.83Å; A200-I280 HydrophobicContact CB-CG2 4.28Å; A200-I280 WeakPolarHBondContact CB-O 3.43Å; V201-I280 PolarHBondContact N-O 3.16Å; I280-I282 HydrophobicContact CG2-CG1 4.16Å; I280-Y307 WeakPolarHBondContact CD1-OH 3.24Å; I280-Y307 HydrophobicContact CG1-CE1 3.94Å; I280-Y307 HydrophobicContact CG1-CE2 3.96Å; I280-Y307 VanDerWaalsContact CG1-CZ 3.42Å; I280-Y307 WeakPolarHBondContact CG1-OH 3.34Å; I280-K308 HydrophobicContact CB-CB 4.41Å; I280-K308 HydrophobicContact CG1-CB 4.17Å; I280-K308 HydrophobicContact CG2-CB 3.98Å; I280-Y310 HydrophobicContact CG2-CD2 3.52Å; I280-Y310 HydrophobicContact CG2-CE2 3.62Å
281	A	98.5	Very high	95.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	126.5	172.6	0	0	0	0	0	110	V201 V203 L301 A306 K308 I309 Y310	V201-A281 HydrophobicContact CG1-CB 4.46Å; V203-A281 HydrophobicContact CG2-CB 3.96Å; A281-L301 HydrophobicContact CB-CB 4.43Å; A281-L301 HydrophobicContact CB-CD1 3.88Å; A281-L301 HydrophobicContact CB-CD2 4.19Å; A281-L301 HydrophobicContact CB-CG 4.4Å; A281-A306 HydrophobicContact CB-CB 3.91Å; A281-K308 PolarHBondContact N-O 2.86Å; A281-I309 HydrophobicContact CB-CG1 4.5Å; A281-I309 CarbonylContact O-C 3.59Å; A281-I309 WeakPolarHBondContact O-CA 3.42Å; A281-Y310 PolarHBondContact O-N 3.03Å
282	I	98.6	Very high	95.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	101.1	176.3	-54	175.7	0	0	0	108	I190 I194 A200 V201 I202 V203 I280 V284 Y310 M312	I190-I282 HydrophobicContact CD1-CG2 4.26Å; I190-I282 HydrophobicContact CG1-CD1 4.48Å; I190-I282 HydrophobicContact CG2-CD1 3.91Å; I194-I282 HydrophobicContact CD1-CD1 3.93Å; I194-I282 HydrophobicContact CD1-CG1 4.43Å; A200-I282 HydrophobicContact CB-CD1 3.68Å; A200-I282 HydrophobicContact CB-CG1 4.08Å; V201-I282 PolarHBondContact O-N 3.46Å; I202-I282 CarbonylContact C-O 3.55Å; I202-I282 WeakPolarHBondContact CA-O 3.3Å; I202-I282 HydrophobicContact CD1-CB 3.94Å; I202-I282 HydrophobicContact CD1-CD1 4.17Å; I202-I282 HydrophobicContact CD1-CG2 4.32Å; V203-I282 PolarHBondContact N-O 3.5Å; I280-I282 HydrophobicContact CG2-CG1 4.16Å; I282-V284 HydrophobicContact CG2-CG2 4.27Å; I282-Y310 CarbonylContact C-O 3.55Å; I282-Y310 WeakPolarHBondContact CA-O 3.48Å; I282-M312 HydrophobicContact CG2-CE 4.34Å; I282-M312 HydrophobicContact CG2-CG 3.61Å
283	I	98.4	Very high	95.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	128.5	174.9	-57.5	172.7	0	0	0	108.5	V203 K205 F294 A297 L301 I309 Y310 V311 M312	V203-I283 HydrophobicContact CB-CG1 4.13Å; V203-I283 HydrophobicContact CG1-CG1 4.39Å; V203-I283 VanDerWaalsContact O-CA 3.31Å; V203-I283 WeakPolarHBondContact O-CA 3.39Å; K205-I283 HydrophobicContact CB-CG2 4.09Å; I283-F294 HydrophobicContact CG2-CD1 4.16Å; I283-F294 HydrophobicContact CG2-CE1 4.18Å; I283-A297 HydrophobicContact CD1-CB 3.96Å; I283-L301 HydrophobicContact CD1-CD1 3.78Å; I283-L301 HydrophobicContact CG1-CD1 3.83Å; I283-I309 HydrophobicContact CD1-CG2 4.23Å; I283-Y310 PolarHBondContact N-O 3.12Å; I283-V311 HydrophobicContact CB-CG2 4.31Å; I283-V311 HydrophobicContact CD1-CG2 4.23Å; I283-V311 CarbonylContact O-C 3.6Å; I283-V311 WeakPolarHBondContact O-CA 3.23Å; I283-M312 PolarHBondContact O-N 3.37Å
284	V	97.6	Very high	95.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	127	178	-179.7	0	0	0	0	110	I202 V203 R212 Y216 I282 M312	I202-V284 HydrophobicContact CG2-CB 4.37Å; I202-V284 HydrophobicContact CG2-CG2 3.72Å; V203-V284 PolarHBondContact O-N 3.24Å; R212-V284 HydrophobicContact CG-CG1 3.99Å; Y216-V284 HydrophobicContact CD1-CG1 4.15Å; Y216-V284 HydrophobicContact CD1-CG2 3.89Å; Y216-V284 HydrophobicContact CD2-CG1 3.89Å; Y216-V284 HydrophobicContact CE1-CG1 4.06Å; Y216-V284 HydrophobicContact CE1-CG2 4.32Å; Y216-V284 HydrophobicContact CE2-CG1 3.78Å; Y216-V284 HydrophobicContact CG-CG1 4.06Å; Y216-V284 HydrophobicContact CG-CG2 4.13Å; I282-V284 HydrophobicContact CG2-CG2 4.27Å; V284-M312 WeakPolarHBondContact CA-O 3.46Å; V284-M312 HydrophobicContact CG2-CB 4.26Å
285	D	96.1	Very high	95.7	Very high	14 Å²	14	29 Å²	29	8%	0.075	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	172.6	173.9	-142.9	-28.5	0	0	0	111.2	K205 R212 F294 M312 A313	K205-D285 WeakPolarHBondContact CE-OD2 3.19Å; R212-D285 IonicContact NH1-OD1 3.26Å; R212-D285 PolarHBondContact NH1-OD1 2.77Å; D285-F294 HydrophobicContact CB-CE1 3.95Å; D285-F294 HydrophobicContact CB-CZ 3.81Å; D285-M312 PolarHBondContact N-O 3.44Å; D285-A313 VanDerWaalsContact O-CA 3.28Å; D285-A313 WeakPolarHBondContact O-CA 3.46Å
286	D	95.9	Very high	95.6	Very high	4 Å²	4	25.7 Å²	25.7	2%	0.021	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	-37.6	174.4	54.6	-63.6	0	0	0	112.5	H165 R212 T314 H315	H165-D286 WeakPolarHBondContact CA-OD2 3.19Å; H165-D286 IonicContact CE1-OD1 3.3Å; H165-D286 IonicContact CE1-OD2 2.79Å; H165-D286 IonicContact CG-OD2 2.87Å; H165-D286 IonicContact ND1-OD1 3.52Å; H165-D286 PolarHBondContact ND1-OD1 2.89Å; H165-D286 IonicContact ND1-OD2 3.82Å; H165-D286 PolarHBondContact ND1-OD2 2.79Å; R212-D286 VanDerWaalsContact CZ-CB 3.43Å; R212-D286 IonicContact CZ-OD1 2.85Å; R212-D286 VanDerWaalsContact NH1-N 3.13Å; R212-D286 IonicContact NH1-OD1 2.88Å; R212-D286 PolarHBondContact NH1-OD1 2.91Å; R212-D286 VanDerWaalsContact NH2-CB 3.32Å; R212-D286 IonicContact NH2-OD1 3.47Å; R212-D286 PolarHBondContact NH2-OD1 2.92Å; R212-D286 IonicContact NH2-OD2 3.23Å; D286-T314 PolarHBondContact O-N 2.87Å; D286-T314 VanDerWaalsContact O-N 3.12Å; D286-H315 PolarHBondContact O-CD2 2.94Å; D286-H315 PolarHBondContact O-N 2.78Å
287	I	97	Very high	95.5	Very high	12 Å²	12	25.5 Å²	25.5	6%	0.062	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	132.3	-173.8	-60.5	160.9	0	0	0	109.5	Y127 K132 H165 D289 H315 I317	Y127-I287 HydrophobicContact CE2-CD1 3.94Å; Y127-I287 HydrophobicContact CE2-CG1 4.26Å; K132-I287 HydrophobicContact CD-CD1 4.17Å; K132-I287 HydrophobicContact CG-CD1 3.92Å; H165-I287 HydrophobicContact CB-CD1 4.26Å; I287-D289 HydrophobicContact CG2-CB 4.02Å; I287-H315 WeakPolarHBondContact CA-O 3.35Å; I287-H315 HydrophobicContact CB-CB 4.4Å; I287-H315 HydrophobicContact CG1-CB 3.92Å; I287-H315 HydrophobicContact CG2-CB 4.44Å; I287-I317 HydrophobicContact CG2-CD1 3.6Å; I287-I317 HydrophobicContact CG2-CG1 4.09Å
288	I	96.1	Very high	95.5	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	118.1	163.1	-172.2	173.5	0	0	0	109.1	V291 F294 V311 A313 H315 I317 L318 I326 V334 V336	I288-V291 HydrophobicContact CD1-CG2 4.34Å; I288-F294 HydrophobicContact CB-CE2 4.31Å; I288-F294 HydrophobicContact CB-CZ 4.25Å; I288-F294 HydrophobicContact CG1-CD2 4.19Å; I288-F294 HydrophobicContact CG1-CE2 4Å; I288-F294 HydrophobicContact CG1-CZ 4.31Å; I288-V311 HydrophobicContact CD1-CG1 4.24Å; I288-A313 HydrophobicContact CB-CB 4.2Å; I288-A313 HydrophobicContact CG2-CB 4.02Å; I288-H315 PolarHBondContact N-O 2.94Å; I288-I317 PolarHBondContact O-N 3.12Å; I288-L318 HydrophobicContact CD1-CD2 3.88Å; I288-L318 HydrophobicContact CG1-CD2 3.97Å; I288-L318 HydrophobicContact CG2-CD2 3.89Å; I288-L318 HydrophobicContact CG2-CG 4.18Å; I288-L318 PolarHBondContact O-N 3.03Å; I288-I326 HydrophobicContact CD1-CD1 4.24Å; I288-V334 HydrophobicContact CD1-CG1 3.83Å; I288-V336 HydrophobicContact CG2-CG1 3.51Å
289	D	93.5	Very high	95.5	Very high	32 Å²	32	25.4 Å²	25.4	17%	0.171	13%	0.133	C	C	.	.	S	Bend	trans	-136.5	-75.5	-172.7	176	24.5	0	0	0	109.4	K132 I287 I317 S319	K132-D289 IonicContact NZ-OD2 3.36Å; K132-D289 PolarHBondContact NZ-OD2 3.25Å; I287-D289 HydrophobicContact CG2-CB 4.02Å; D289-I317 HydrophobicContact CB-CB 4.07Å; D289-I317 HydrophobicContact CB-CD1 4.15Å; D289-S319 PolarHBondContact O-N 3.49Å; D289-S319 VanDerWaalsContact O-N 3.15Å; D289-S319 VanDerWaalsContact OD1-CB 3.28Å; D289-S319 WeakPolarHBondContact OD1-CB 3.23Å; D289-S319 PolarHBondContact OD1-OG 2.91Å
290	D	88.4	Confident	95.3	Very high	88 Å²	88	22.6 Å²	22.6	47%	0.471	12%	0.123	S	C	.	.			trans	-85.4	125.2	162.5	-177.4	-6	0	0	0	108.8	E292	D290-E292 PolarHBondContact OD1-N 2.69Å
291	V	93.8	Very high	95.3	Very high	4 Å²	4	22.4 Å²	22.4	2%	0.024	12%	0.123	C	C	.	.			trans	-97.4	-10.8	-173	72.9	0	0	0	0	113	I288 S293 F294 V295 A322 L325 I326	I288-V291 HydrophobicContact CD1-CG2 4.34Å; V291-S293 VanDerWaalsContact C-N 3.26Å; V291-S293 PolarHBondContact O-N 3.47Å; V291-S293 VanDerWaalsContact O-N 3.15Å; V291-F294 HydrophobicContact CG2-CB 3.91Å; V291-F294 CarbonylContact O-C 3.56Å; V291-F294 WeakPolarHBondContact O-CA 3.39Å; V291-F294 WeakPolarHBondContact O-CB 3.5Å; V291-F294 PolarHBondContact O-N 2.88Å; V291-V295 HydrophobicContact CG1-CG2 4.36Å; V291-V295 HydrophobicContact CG2-CG2 4.03Å; V291-V295 PolarHBondContact O-N 3.04Å; V291-A322 HydrophobicContact CB-CB 4.16Å; V291-A322 HydrophobicContact CG1-CB 3.95Å; V291-L325 HydrophobicContact CG1-CB 3.54Å; V291-L325 HydrophobicContact CG1-CD1 3.66Å; V291-L325 HydrophobicContact CG1-CG 4.25Å; V291-I326 HydrophobicContact CB-CG1 4.46Å; V291-I326 HydrophobicContact CG2-CD1 4.12Å; V291-I326 HydrophobicContact CG2-CG1 3.55Å
292	E	91.5	Very high	95.2	Very high	108 Å²	108	26.4 Å²	26.4	51%	0.505	14%	0.14	S	C	.	.	H	α-helix	trans	-54.2	-45	-174.2	-71.9	-173.4	-175.3	0	0	112.2	D290 F294 V295 A296 L325	D290-E292 PolarHBondContact OD1-N 2.69Å; E292-F294 VanDerWaalsContact C-N 3.3Å; E292-F294 PolarHBondContact O-N 3.39Å; E292-V295 PolarHBondContact O-N 2.88Å; E292-A296 PolarHBondContact O-N 3.15Å; E292-L325 HydrophobicContact CG-CD1 4.5Å
293	S	90.7	Very high	95.1	Very high	52 Å²	52	33.7 Å²	33.7	36%	0.364	17%	0.174	S	C	.	.	H	α-helix	trans	-65.8	-28.3	176	65	0	0	0	0	114.1	K205 V291 A297	K205-S293 PolarHBondContact NZ-OG 3.32Å; V291-S293 VanDerWaalsContact C-N 3.26Å; V291-S293 PolarHBondContact O-N 3.47Å; V291-S293 VanDerWaalsContact O-N 3.15Å; S293-A297 VanDerWaalsContact O-CB 3.23Å; S293-A297 WeakPolarHBondContact O-CB 3.4Å; S293-A297 PolarHBondContact O-N 3.15Å; S293-A297 VanDerWaalsContact O-N 3.11Å
294	F	94.9	Very high	94.9	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.018	20%	0.199	C	C	.	.	H	α-helix	trans	-75.5	-37.9	174.1	-72	-93.6	0	0	0	111.3	K205 I283 D285 I288 V291 E292 A297 A298 V311	K205-F294 HydrophobicContact CD-CB 4.48Å; K205-F294 HydrophobicContact CD-CD1 3.64Å; K205-F294 HydrophobicContact CD-CD2 3.68Å; K205-F294 HydrophobicContact CD-CE1 3.67Å; K205-F294 HydrophobicContact CD-CE2 3.71Å; K205-F294 HydrophobicContact CD-CG 3.65Å; K205-F294 HydrophobicContact CD-CZ 3.7Å; K205-F294 VanDerWaalsContact CE-CE2 3.45Å; K205-F294 VanDerWaalsContact CE-CZ 3.46Å; I283-F294 HydrophobicContact CG2-CD1 4.16Å; I283-F294 HydrophobicContact CG2-CE1 4.18Å; D285-F294 HydrophobicContact CB-CE1 3.95Å; D285-F294 HydrophobicContact CB-CZ 3.81Å; I288-F294 HydrophobicContact CB-CE2 4.31Å; I288-F294 HydrophobicContact CB-CZ 4.25Å; I288-F294 HydrophobicContact CG1-CD2 4.19Å; I288-F294 HydrophobicContact CG1-CE2 4Å; I288-F294 HydrophobicContact CG1-CZ 4.31Å; V291-F294 HydrophobicContact CG2-CB 3.91Å; V291-F294 CarbonylContact O-C 3.56Å; V291-F294 WeakPolarHBondContact O-CA 3.39Å; V291-F294 WeakPolarHBondContact O-CB 3.5Å; V291-F294 PolarHBondContact O-N 2.88Å; E292-F294 VanDerWaalsContact C-N 3.3Å; E292-F294 PolarHBondContact O-N 3.39Å; F294-A297 WeakPolarHBondContact O-CB 3.23Å; F294-A297 PolarHBondContact O-N 3.4Å; F294-A298 WeakPolarHBondContact O-CB 3.32Å; F294-A298 PolarHBondContact O-N 3.29Å; F294-V311 HydrophobicContact CD1-CG1 3.58Å; F294-V311 HydrophobicContact CD1-CG2 4.31Å; F294-V311 HydrophobicContact CE1-CG1 3.66Å
295	V	95.6	Very high	94.9	Very high	32 Å²	32	42.1 Å²	42.1	19%	0.194	22%	0.217	C	C	.	.	H	α-helix	trans	-65.1	-49.2	174.6	175	0	0	0	0	110.2	V291 E292 A297 A298 E299 L325	V291-V295 HydrophobicContact CG1-CG2 4.36Å; V291-V295 HydrophobicContact CG2-CG2 4.03Å; V291-V295 PolarHBondContact O-N 3.04Å; E292-V295 PolarHBondContact O-N 2.88Å; V295-A297 VanDerWaalsContact C-N 3.27Å; V295-A297 PolarHBondContact O-N 3.44Å; V295-A298 WeakPolarHBondContact O-CA 3.48Å; V295-A298 WeakPolarHBondContact O-CB 3.39Å; V295-A298 PolarHBondContact O-N 3.49Å; V295-E299 PolarHBondContact O-N 3.16Å; V295-L325 HydrophobicContact CG2-CB 4.48Å
296	A	93.9	Very high	95	Very high	26 Å²	26	41.5 Å²	41.5	22%	0.215	21%	0.214	C	C	.	.	H	α-helix	trans	-58.8	-39.9	176.3	0	0	0	0	0	112.2	A231 I270 E292 A298 E299 I300	A231-A296 HydrophobicContact CB-CB 4.07Å; I270-A296 HydrophobicContact CD1-CB 4.11Å; E292-A296 PolarHBondContact O-N 3.15Å; A296-A298 VanDerWaalsContact C-N 3.35Å; A296-E299 PolarHBondContact O-N 2.87Å; A296-I300 WeakPolarHBondContact O-CG2 3.47Å; A296-I300 PolarHBondContact O-N 3.34Å; A296-I300 VanDerWaalsContact O-N 3.17Å
297	A	95	Very high	95	Very high	1 Å²	1	46 Å²	46	1%	0.008	23%	0.231	C	C	.	.	H	α-helix	trans	-61.9	-40.3	172.7	0	0	0	0	0	112.4	K205 I227 I283 S293 F294 V295 I300 L301	K205-A297 HydrophobicContact CG-CB 4.41Å; I227-A297 HydrophobicContact CD1-CB 3.39Å; I283-A297 HydrophobicContact CD1-CB 3.96Å; S293-A297 VanDerWaalsContact O-CB 3.23Å; S293-A297 WeakPolarHBondContact O-CB 3.4Å; S293-A297 PolarHBondContact O-N 3.15Å; S293-A297 VanDerWaalsContact O-N 3.11Å; F294-A297 WeakPolarHBondContact O-CB 3.23Å; F294-A297 PolarHBondContact O-N 3.4Å; V295-A297 VanDerWaalsContact C-N 3.27Å; V295-A297 PolarHBondContact O-N 3.44Å; A297-I300 WeakPolarHBondContact O-CG2 3.45Å; A297-L301 WeakPolarHBondContact O-CB 3.43Å; A297-L301 VanDerWaalsContact O-CD1 3.29Å; A297-L301 WeakPolarHBondContact O-CD1 3.49Å; A297-L301 WeakPolarHBondContact O-CG 3.45Å; A297-L301 PolarHBondContact O-N 3.44Å; A297-L301 VanDerWaalsContact O-N 3.13Å
298	A	96.8	Very high	95.1	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.3	-46.2	177.8	0	0	0	0	0	111.8	F294 V295 A296 I300 L301 K302 I309 S330 V331	F294-A298 WeakPolarHBondContact O-CB 3.32Å; F294-A298 PolarHBondContact O-N 3.29Å; V295-A298 WeakPolarHBondContact O-CA 3.48Å; V295-A298 WeakPolarHBondContact O-CB 3.39Å; V295-A298 PolarHBondContact O-N 3.49Å; A296-A298 VanDerWaalsContact C-N 3.35Å; A298-I300 PolarHBondContact O-N 2.68Å; A298-L301 PolarHBondContact O-N 3.18Å; A298-K302 PolarHBondContact O-N 3.19Å; A298-I309 HydrophobicContact CB-CD1 3.95Å; A298-I309 HydrophobicContact CB-CG2 4.04Å; A298-I309 WeakPolarHBondContact O-CD1 3.31Å; A298-S330 WeakPolarHBondContact CB-OG 3.48Å; A298-V331 HydrophobicContact CB-CG2 3.51Å
299	E	95.8	Very high	95.2	Very high	75 Å²	75	49.1 Å²	49.1	35%	0.35	25%	0.245	S	C	.	.	H	α-helix	trans	-60.9	-46.7	179.4	-62.2	-47.5	128.9	0	0	111.9	V295 A296 L301 K302 E303 S330	V295-E299 PolarHBondContact O-N 3.16Å; A296-E299 PolarHBondContact O-N 2.87Å; E299-L301 VanDerWaalsContact C-N 3.31Å; E299-L301 PolarHBondContact O-N 3.02Å; E299-K302 WeakPolarHBondContact O-CB 3.29Å; E299-K302 PolarHBondContact O-N 2.8Å; E299-K302 VanDerWaalsContact O-N 3.09Å; E299-E303 WeakPolarHBondContact O-CG 3.48Å; E299-E303 PolarHBondContact O-N 2.82Å; E299-S330 VanDerWaalsContact CD-OG 3.27Å; E299-S330 WeakPolarHBondContact OE1-CB 3.32Å; E299-S330 PolarHBondContact OE1-N 3.14Å; E299-S330 VanDerWaalsContact OE1-N 3.14Å; E299-S330 PolarHBondContact OE1-OG 3.47Å
300	I	95.6	Very high	95.5	Very high	19 Å²	19	48.7 Å²	48.7	10%	0.097	24%	0.241	C	C	.	.	H	α-helix	trans	-65.2	-34.2	178.3	-170.3	62.3	0	0	0	112.4	I227 I270 V272 A296 A297 A298 K302 E303 R304	I227-I300 HydrophobicContact CD1-CG2 4.25Å; I270-I300 HydrophobicContact CD1-CG2 4.24Å; I270-I300 HydrophobicContact CG1-CG2 4.45Å; V272-I300 HydrophobicContact CG2-CB 4.45Å; V272-I300 HydrophobicContact CG2-CG1 3.73Å; V272-I300 HydrophobicContact CG2-CG2 3.92Å; A296-I300 WeakPolarHBondContact O-CG2 3.47Å; A296-I300 PolarHBondContact O-N 3.34Å; A296-I300 VanDerWaalsContact O-N 3.17Å; A297-I300 WeakPolarHBondContact O-CG2 3.45Å; A298-I300 PolarHBondContact O-N 2.68Å; I300-K302 VanDerWaalsContact C-N 3.33Å; I300-E303 WeakPolarHBondContact CD1-OE2 3.49Å; I300-R304 WeakPolarHBondContact O-CB 3.28Å; I300-R304 WeakPolarHBondContact O-CG 3.42Å; I300-R304 PolarHBondContact O-N 2.84Å
301	L	97.2	Very high	95.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65.9	-39.7	173.7	-71.9	166.3	0	0	0	110.9	V203 I227 V272 V276 A281 I283 A297 A298 E299 R304 G305 A306 I309	V203-L301 HydrophobicContact CG1-CD1 4.19Å; V203-L301 HydrophobicContact CG1-CD2 4.15Å; V203-L301 HydrophobicContact CG2-CD1 4.29Å; V203-L301 HydrophobicContact CG2-CD2 3.99Å; I227-L301 HydrophobicContact CD1-CD1 4.32Å; I227-L301 HydrophobicContact CD1-CG 4.3Å; V272-L301 HydrophobicContact CG1-CD2 4.41Å; V272-L301 HydrophobicContact CG2-CD2 4.35Å; V276-L301 HydrophobicContact CB-CD2 4.22Å; V276-L301 HydrophobicContact CG1-CD2 3.85Å; V276-L301 HydrophobicContact CG2-CD2 4.21Å; A281-L301 HydrophobicContact CB-CB 4.43Å; A281-L301 HydrophobicContact CB-CD1 3.88Å; A281-L301 HydrophobicContact CB-CD2 4.19Å; A281-L301 HydrophobicContact CB-CG 4.4Å; I283-L301 HydrophobicContact CD1-CD1 3.78Å; I283-L301 HydrophobicContact CG1-CD1 3.83Å; A297-L301 WeakPolarHBondContact O-CB 3.43Å; A297-L301 VanDerWaalsContact O-CD1 3.29Å; A297-L301 WeakPolarHBondContact O-CD1 3.49Å; A297-L301 WeakPolarHBondContact O-CG 3.45Å; A297-L301 PolarHBondContact O-N 3.44Å; A297-L301 VanDerWaalsContact O-N 3.13Å; A298-L301 PolarHBondContact O-N 3.18Å; E299-L301 VanDerWaalsContact C-N 3.31Å; E299-L301 PolarHBondContact O-N 3.02Å; L301-R304 CarbonylContact O-C 3.56Å; L301-R304 PolarHBondContact O-N 3.5Å; L301-G305 PolarHBondContact O-N 3.19Å; L301-A306 HydrophobicContact CB-CB 4.13Å; L301-A306 WeakPolarHBondContact O-CB 3.36Å; L301-A306 PolarHBondContact O-N 3.2Å; L301-I309 HydrophobicContact CB-CD1 4.22Å
302	K	96.8	Very high	96.2	Very high	84 Å²	84	44.3 Å²	44.3	37%	0.365	22%	0.217	S	C	.	.	H	α-helix	trans	-63.5	-46.9	176.2	-157.9	80.4	-172.1	-175.9	0	111.5	A298 E299 I300 R304 G305 A306 Y307 I309	A298-K302 PolarHBondContact O-N 3.19Å; E299-K302 WeakPolarHBondContact O-CB 3.29Å; E299-K302 PolarHBondContact O-N 2.8Å; E299-K302 VanDerWaalsContact O-N 3.09Å; I300-K302 VanDerWaalsContact C-N 3.33Å; K302-R304 PolarHBondContact O-N 2.94Å; K302-G305 WeakPolarHBondContact O-CA 3.12Å; K302-G305 PolarHBondContact O-N 3.38Å; K302-A306 WeakPolarHBondContact CD-O 3.48Å; K302-Y307 PolarHBondContact NZ-O 3.44Å; K302-I309 HydrophobicContact CB-CD1 4.2Å; K302-I309 HydrophobicContact CD-CD1 4.05Å
303	E	95.8	Very high	96.5	Very high	153 Å²	153	39.2 Å²	39.2	72%	0.715	19%	0.193	S	C	*	.	H	α-helix	trans	-58.9	-35.2	175.5	-72.6	177.8	-178.6	0	0	112.3	E299 I300 G305	E299-E303 WeakPolarHBondContact O-CG 3.48Å; E299-E303 PolarHBondContact O-N 2.82Å; I300-E303 WeakPolarHBondContact CD1-OE2 3.49Å; E303-G305 PolarHBondContact O-N 3.39Å
304	R	95.9	Very high	96.8	Very high	140 Å²	140	36.8 Å²	36.8	53%	0.528	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	5.7	175.6	-66.6	-73.9	-175.9	165.8	1.5	113.7	V272 V276 G277 I300 L301 K302	V272-R304 HydrophobicContact CG2-CG 4.33Å; V276-R304 HydrophobicContact CG2-CB 3.39Å; V276-R304 HydrophobicContact CG2-CG 4.41Å; G277-R304 WeakPolarHBondContact CA-O 3.39Å; I300-R304 WeakPolarHBondContact O-CB 3.28Å; I300-R304 WeakPolarHBondContact O-CG 3.42Å; I300-R304 PolarHBondContact O-N 2.84Å; L301-R304 CarbonylContact O-C 3.56Å; L301-R304 PolarHBondContact O-N 3.5Å; K302-R304 PolarHBondContact O-N 2.94Å
305	G	96.5	Very high	97	Very high	36 Å²	36	36.8 Å²	36.8	37%	0.371	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.9	15	171.8	0	0	0	0	0	115.2	G278 L301 K302 E303 Y307	G278-G305 PolarHBondContact N-O 3.07Å; L301-G305 PolarHBondContact O-N 3.19Å; K302-G305 WeakPolarHBondContact O-CA 3.12Å; K302-G305 PolarHBondContact O-N 3.38Å; E303-G305 PolarHBondContact O-N 3.39Å; G305-Y307 PolarHBondContact O-N 3.4Å
306	A	98.1	Very high	97	Very high	2 Å²	2	35.2 Å²	35.2	2%	0.017	17%	0.167	C	C	.	.			trans	-67.8	124.6	168.3	0	0	0	0	0	109.4	R279 A281 L301 K302	R279-A306 WeakPolarHBondContact O-CA 3.23Å; A281-A306 HydrophobicContact CB-CB 3.91Å; L301-A306 HydrophobicContact CB-CB 4.13Å; L301-A306 WeakPolarHBondContact O-CB 3.36Å; L301-A306 PolarHBondContact O-N 3.2Å; K302-A306 WeakPolarHBondContact CD-O 3.48Å
307	Y	97.2	Very high	97.1	Very high	98 Å²	98	35.4 Å²	35.4	38%	0.384	16%	0.164	S	C	.	.	S	Bend	trans	-89.9	-22.4	-174.2	69.4	-88.5	0	0	0	113.1	G278 R279 I280 K302 G305	G278-Y307 WeakPolarHBondContact O-CE1 3.45Å; R279-Y307 VanDerWaalsContact O-CD1 3.24Å; R279-Y307 WeakPolarHBondContact O-CD1 3.35Å; R279-Y307 PolarHBondContact O-N 2.82Å; R279-Y307 VanDerWaalsContact O-N 3.15Å; I280-Y307 WeakPolarHBondContact CD1-OH 3.24Å; I280-Y307 HydrophobicContact CG1-CE1 3.94Å; I280-Y307 HydrophobicContact CG1-CE2 3.96Å; I280-Y307 VanDerWaalsContact CG1-CZ 3.42Å; I280-Y307 WeakPolarHBondContact CG1-OH 3.34Å; K302-Y307 PolarHBondContact NZ-O 3.44Å; G305-Y307 PolarHBondContact O-N 3.4Å
308	K	98.2	Very high	97.1	Very high	78 Å²	78	35.5 Å²	35.5	34%	0.339	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	142.1	174.6	-77.6	-68.2	-173.2	175.7	0	110.8	I280 A281 Y310 D332	I280-K308 HydrophobicContact CB-CB 4.41Å; I280-K308 HydrophobicContact CG1-CB 4.17Å; I280-K308 HydrophobicContact CG2-CB 3.98Å; A281-K308 PolarHBondContact N-O 2.86Å; K308-Y310 HydrophobicContact CB-CE2 4.02Å; K308-D332 VanDerWaalsContact CA-OD2 3.23Å; K308-D332 WeakPolarHBondContact CA-OD2 3.4Å; K308-D332 HydrophobicContact CD-CB 4.14Å; K308-D332 WeakPolarHBondContact CD-OD1 3.35Å; K308-D332 VanDerWaalsContact CD-OD2 3.23Å; K308-D332 WeakPolarHBondContact CD-OD2 3.47Å; K308-D332 IonicContact NZ-OD1 3.91Å; K308-D332 PolarHBondContact NZ-OD1 3.15Å
309	I	98.5	Very high	96.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	118.7	-176.5	-57.1	168.4	0	0	0	109.8	A281 I283 A298 L301 K302 V331 D332	A281-I309 HydrophobicContact CB-CG1 4.5Å; A281-I309 CarbonylContact O-C 3.59Å; A281-I309 WeakPolarHBondContact O-CA 3.42Å; I283-I309 HydrophobicContact CD1-CG2 4.23Å; A298-I309 HydrophobicContact CB-CD1 3.95Å; A298-I309 HydrophobicContact CB-CG2 4.04Å; A298-I309 WeakPolarHBondContact O-CD1 3.31Å; L301-I309 HydrophobicContact CB-CD1 4.22Å; K302-I309 HydrophobicContact CB-CD1 4.2Å; K302-I309 HydrophobicContact CD-CD1 4.05Å; I309-V331 HydrophobicContact CG2-CG2 4.38Å; I309-D332 PolarHBondContact N-OD2 3.31Å; I309-D332 WeakPolarHBondContact O-CB 3.47Å; I309-D332 PolarHBondContact O-N 3.08Å
310	Y	98.7	Very high	96.6	Very high	22 Å²	22	36.4 Å²	36.4	9%	0.086	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	144.6	175	-67	-100.6	0	0	0	109.6	I194 I280 A281 I282 I283 K308 M312 E333	I194-Y310 HydrophobicContact CD1-CD1 3.57Å; I194-Y310 HydrophobicContact CD1-CD2 4.14Å; I194-Y310 HydrophobicContact CD1-CE1 3.9Å; I194-Y310 HydrophobicContact CD1-CE2 4.4Å; I194-Y310 HydrophobicContact CD1-CG 3.73Å; I194-Y310 HydrophobicContact CG1-CD1 4Å; I194-Y310 HydrophobicContact CG1-CE1 3.81Å; I194-Y310 HydrophobicContact CG2-CE2 4Å; I280-Y310 HydrophobicContact CG2-CD2 3.52Å; I280-Y310 HydrophobicContact CG2-CE2 3.62Å; A281-Y310 PolarHBondContact O-N 3.03Å; I282-Y310 CarbonylContact C-O 3.55Å; I282-Y310 WeakPolarHBondContact CA-O 3.48Å; I283-Y310 PolarHBondContact N-O 3.12Å; K308-Y310 HydrophobicContact CB-CE2 4.02Å; Y310-M312 HydrophobicContact CD1-CE 4.39Å; Y310-E333 CarbonylContact C-O 3.51Å; Y310-E333 WeakPolarHBondContact CA-O 3.43Å; Y310-E333 HydrophobicContact CD1-CB 3.67Å; Y310-E333 HydrophobicContact CD1-CG 4.44Å; Y310-E333 HydrophobicContact CE1-CB 3.78Å; Y310-E333 HydrophobicContact CE1-CG 4.49Å
311	V	98.5	Very high	96.4	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	127.9	170.4	-178.3	0	0	0	0	108.8	I283 I288 F294 V331 E333 V334 V335	I283-V311 HydrophobicContact CB-CG2 4.31Å; I283-V311 HydrophobicContact CD1-CG2 4.23Å; I283-V311 CarbonylContact O-C 3.6Å; I283-V311 WeakPolarHBondContact O-CA 3.23Å; I288-V311 HydrophobicContact CD1-CG1 4.24Å; F294-V311 HydrophobicContact CD1-CG1 3.58Å; F294-V311 HydrophobicContact CD1-CG2 4.31Å; F294-V311 HydrophobicContact CE1-CG1 3.66Å; V311-V331 HydrophobicContact CG2-CG1 3.86Å; V311-V331 HydrophobicContact CG2-CG2 4.21Å; V311-E333 PolarHBondContact N-O 3.18Å; V311-V334 HydrophobicContact CB-CG1 4.41Å; V311-V334 HydrophobicContact CB-CG2 4.15Å; V311-V334 HydrophobicContact CG2-CG2 4.44Å; V311-V334 CarbonylContact O-C 3.53Å; V311-V334 WeakPolarHBondContact O-CA 3.33Å; V311-V335 PolarHBondContact O-N 3.15Å
312	M	98.2	Very high	96.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	123.9	178.6	-60.5	-77.7	162	0	0	108.4	Y189 I190 I194 I282 I283 V284 D285 Y310 V335	Y189-M312 HydrophobicContact CD1-CE 4.04Å; Y189-M312 HydrophobicContact CD1-SD 4.47Å; Y189-M312 HydrophobicContact CE1-CE 4.33Å; I190-M312 HydrophobicContact CD1-CG 4.33Å; I190-M312 HydrophobicContact CD1-SD 4.43Å; I190-M312 HydrophobicContact CG1-CE 3.81Å; I190-M312 HydrophobicContact CG1-SD 4.13Å; I194-M312 HydrophobicContact CD1-CE 3.51Å; I282-M312 HydrophobicContact CG2-CE 4.34Å; I282-M312 HydrophobicContact CG2-CG 3.61Å; I283-M312 PolarHBondContact O-N 3.37Å; V284-M312 WeakPolarHBondContact CA-O 3.46Å; V284-M312 HydrophobicContact CG2-CB 4.26Å; D285-M312 PolarHBondContact N-O 3.44Å; Y310-M312 HydrophobicContact CD1-CE 4.39Å; M312-V335 WeakPolarHBondContact CA-O 3.28Å; M312-V335 HydrophobicContact CE-CB 4.01Å; M312-V335 HydrophobicContact CE-CG2 3.58Å; M312-V335 HydrophobicContact SD-CB 3.52Å; M312-V335 VanDerWaalsContact SD-CB 3.52Å; M312-V335 HydrophobicContact SD-CG1 3.97Å; M312-V335 HydrophobicContact SD-CG2 3.82Å
313	A	97.9	Very high	96.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	149.3	172.4	0	0	0	0	0	112.4	D285 I288 V335 V336	D285-A313 VanDerWaalsContact O-CA 3.28Å; D285-A313 WeakPolarHBondContact O-CA 3.46Å; I288-A313 HydrophobicContact CB-CB 4.2Å; I288-A313 HydrophobicContact CG2-CB 4.02Å; A313-V335 PolarHBondContact N-O 3.08Å; A313-V336 HydrophobicContact CB-CG1 4.33Å; A313-V336 VanDerWaalsContact O-CA 3.27Å; A313-V336 WeakPolarHBondContact O-CA 3.45Å
314	T	98.1	Very high	96.3	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.012	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	-49.4	174.3	-57.8	0	0	0	0	110.3	M162 D163 A182 D286 T337 T339	M162-T314 HydrophobicContact CE-CG2 3.61Å; M162-T314 HydrophobicContact CG-CG2 4.37Å; D163-T314 HydrophobicContact CB-CG2 3.88Å; D163-T314 WeakPolarHBondContact OD2-CG2 3.43Å; D163-T314 PolarHBondContact OD2-OG1 2.77Å; A182-T314 HydrophobicContact CB-CG2 3.55Å; D286-T314 PolarHBondContact O-N 2.87Å; D286-T314 VanDerWaalsContact O-N 3.12Å; T314-T337 HydrophobicContact CG2-CG2 4.27Å; T314-T337 WeakPolarHBondContact O-CB 3.29Å; T314-T337 PolarHBondContact O-N 3.47Å; T314-T337 PolarHBondContact O-OG1 3.41Å; T314-T339 HydrophobicContact CG2-CG2 4.19Å; T314-T339 PolarHBondContact O-OG1 2.83Å
315	H	98.1	Very high	96.4	Very high	3 Å²	3	30.6 Å²	30.6	1%	0.014	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	109.2	-172.7	-52.7	-61.2	0	0	0	112.2	P126 Y127 M162 D163 D286 I287 I288 I317 T339 V340	P126-H315 PolarHBondContact O-CE1 2.89Å; P126-H315 VanDerWaalsContact O-CE1 3.29Å; Y127-H315 HydrophobicContact CD2-CB 3.95Å; Y127-H315 AromaticContact CD2-CD2 3.78Å; Y127-H315 AromaticContact CD2-CG 3.54Å; Y127-H315 AromaticContact CD2-ND1 3.76Å; Y127-H315 HydrophobicContact CG-CB 4.46Å; M162-H315 PolarHBondContact O-CE1 3.28Å; M162-H315 PolarHBondContact O-NE2 3.5Å; D163-H315 PolarHBondContact O-NE2 3.16Å; D286-H315 PolarHBondContact O-CD2 2.94Å; D286-H315 PolarHBondContact O-N 2.78Å; I287-H315 WeakPolarHBondContact CA-O 3.35Å; I287-H315 HydrophobicContact CB-CB 4.4Å; I287-H315 HydrophobicContact CG1-CB 3.92Å; I287-H315 HydrophobicContact CG2-CB 4.44Å; I288-H315 PolarHBondContact N-O 2.94Å; H315-I317 PolarHBondContact O-N 2.97Å; H315-T339 WeakPolarHBondContact ND1-CB 3.37Å; H315-T339 PolarHBondContact ND1-OG1 2.99Å; H315-V340 HydrophobicContact CB-CG2 4.5Å
316	G	97.3	Very high	96.4	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	80.9	172.7	0	0	0	0	0	112.7
317	I	95.8	Very high	96.4	Very high	30 Å²	30	32.6 Å²	32.6	15%	0.154	16%	0.159	C	C	.	.			trans	-74.5	-43	174.6	-54.3	176.9	0	0	0	110	Y127 I287 I288 D289 H315 S319 V340 Q345	Y127-I317 HydrophobicContact CE1-CD1 3.69Å; Y127-I317 HydrophobicContact CE1-CG1 4.21Å; Y127-I317 HydrophobicContact CE2-CD1 4.01Å; Y127-I317 VanDerWaalsContact OH-CD1 3.23Å; Y127-I317 WeakPolarHBondContact OH-CD1 3.2Å; I287-I317 HydrophobicContact CG2-CD1 3.6Å; I287-I317 HydrophobicContact CG2-CG1 4.09Å; I288-I317 PolarHBondContact O-N 3.12Å; D289-I317 HydrophobicContact CB-CB 4.07Å; D289-I317 HydrophobicContact CB-CD1 4.15Å; H315-I317 PolarHBondContact O-N 2.97Å; I317-S319 PolarHBondContact O-N 2.85Å; I317-V340 HydrophobicContact CG1-CG2 4.38Å; I317-Q345 PolarHBondContact O-NE2 2.91Å
318	L	94.7	Very high	96.3	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.01	17%	0.171	C	C	.	.			trans	47.5	62.3	170.4	-62.2	162.5	0	0	0	111.7	I288 A322 I326 H342 Q345 I352	I288-L318 HydrophobicContact CD1-CD2 3.88Å; I288-L318 HydrophobicContact CG1-CD2 3.97Å; I288-L318 HydrophobicContact CG2-CD2 3.89Å; I288-L318 HydrophobicContact CG2-CG 4.18Å; I288-L318 PolarHBondContact O-N 3.03Å; L318-A322 HydrophobicContact CB-CB 4.45Å; L318-I326 HydrophobicContact CD2-CD1 3.59Å; L318-H342 HydrophobicContact CD1-CB 4.22Å; L318-Q345 HydrophobicContact CB-CB 4.36Å; L318-Q345 HydrophobicContact CB-CG 3.92Å; L318-Q345 HydrophobicContact CD1-CB 4.27Å; L318-Q345 PolarHBondContact O-NE2 2.76Å; L318-I352 HydrophobicContact CD1-CD1 3.97Å; L318-I352 HydrophobicContact CD1-CG2 4.33Å
319	S	90	Very high	96.3	Very high	22 Å²	22	31.3 Å²	31.3	15%	0.154	16%	0.159	C	C	.	.			trans	-86.8	160.5	-171.3	67.7	0	0	0	0	113.7	D289 I317 E321 A322	D289-S319 PolarHBondContact O-N 3.49Å; D289-S319 VanDerWaalsContact O-N 3.15Å; D289-S319 VanDerWaalsContact OD1-CB 3.28Å; D289-S319 WeakPolarHBondContact OD1-CB 3.23Å; D289-S319 PolarHBondContact OD1-OG 2.91Å; I317-S319 PolarHBondContact O-N 2.85Å; S319-E321 PolarHBondContact O-N 2.79Å; S319-A322 WeakPolarHBondContact O-CB 3.01Å; S319-A322 PolarHBondContact O-N 2.71Å; S319-A322 VanDerWaalsContact O-N 3.11Å
320	A	90.8	Very high	96.2	Very high	72 Å²	72	32.6 Å²	32.6	60%	0.595	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	-126.7	178.1	0	0	0	0	0	112.1	A322	A320-A322 PolarHBondContact O-N 3.33Å
321	E	92.7	Very high	96.2	Very high	100 Å²	100	31.8 Å²	31.8	47%	0.467	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	9.9	-176	-56.1	-60.3	127.2	0	0	113.4	S319 P323 R324 L325	S319-E321 PolarHBondContact O-N 2.79Å; E321-P323 VanDerWaalsContact C-CD 3.5Å; E321-R324 PolarHBondContact O-N 2.87Å; E321-R324 VanDerWaalsContact O-N 3.09Å; E321-R324 IonicContact OE2-CZ 3.01Å; E321-R324 IonicContact OE2-NE 3.06Å; E321-R324 IonicContact OE2-NH1 3.07Å; E321-R324 PolarHBondContact OE2-NH1 3.03Å; E321-R324 IonicContact OE2-NH2 3.41Å; E321-L325 HydrophobicContact CB-CD1 4.45Å; E321-L325 HydrophobicContact CB-CG 4.47Å; E321-L325 PolarHBondContact O-N 3.23Å
322	A	95.2	Very high	96.1	Very high	3 Å²	3	34 Å²	34	3%	0.025	18%	0.178	C	C	.	.	H	α-helix	trans	-52.2	-45.5	-174.4	0	0	0	0	0	113.9	V291 L318 S319 A320 R324 L325 I326	V291-A322 HydrophobicContact CB-CB 4.16Å; V291-A322 HydrophobicContact CG1-CB 3.95Å; L318-A322 HydrophobicContact CB-CB 4.45Å; S319-A322 WeakPolarHBondContact O-CB 3.01Å; S319-A322 PolarHBondContact O-N 2.71Å; S319-A322 VanDerWaalsContact O-N 3.11Å; A320-A322 PolarHBondContact O-N 3.33Å; A322-R324 VanDerWaalsContact C-N 3.33Å; A322-R324 PolarHBondContact O-N 3.29Å; A322-L325 PolarHBondContact O-N 3.24Å; A322-I326 VanDerWaalsContact O-CG1 3.23Å; A322-I326 WeakPolarHBondContact O-CG1 3.42Å; A322-I326 PolarHBondContact O-N 3.13Å
323	P	96.1	Very high	96.2	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.006	19%	0.185	C	C	.	.	H	α-helix	trans	-61	-40.1	179.2	-24.3	36.6	0	0	0	113.1	E321 I326 E327 Q345 Q348 C349 I352	E321-P323 VanDerWaalsContact C-CD 3.5Å; P323-I326 PolarHBondContact O-N 3.04Å; P323-E327 PolarHBondContact O-N 3.33Å; P323-E327 VanDerWaalsContact O-N 3.08Å; P323-Q345 HydrophobicContact CB-CB 4.46Å; P323-Q345 HydrophobicContact CG-CB 3.61Å; P323-Q345 HydrophobicContact CG-CG 3.6Å; P323-Q348 HydrophobicContact CB-CB 3.84Å; P323-C349 HydrophobicContact CB-CB 3.88Å; P323-C349 WeakPolarHBondContact O-CB 3.43Å; P323-I352 HydrophobicContact CB-CD1 4.47Å
324	R	96.6	Very high	96.2	Very high	121 Å²	121	35.7 Å²	35.7	46%	0.457	19%	0.185	S	C	.	.	H	α-helix	trans	-64.9	-46.8	178.1	-172	-176.3	75.6	-143.9	-8.6	111.1	E321 A322 I326 E327 E328	E321-R324 PolarHBondContact O-N 2.87Å; E321-R324 VanDerWaalsContact O-N 3.09Å; E321-R324 IonicContact OE2-CZ 3.01Å; E321-R324 IonicContact OE2-NE 3.06Å; E321-R324 IonicContact OE2-NH1 3.07Å; E321-R324 PolarHBondContact OE2-NH1 3.03Å; E321-R324 IonicContact OE2-NH2 3.41Å; A322-R324 VanDerWaalsContact C-N 3.33Å; A322-R324 PolarHBondContact O-N 3.29Å; R324-I326 VanDerWaalsContact C-N 3.31Å; R324-I326 PolarHBondContact O-N 3.31Å; R324-E327 WeakPolarHBondContact O-CB 3.5Å; R324-E327 PolarHBondContact O-N 2.82Å; R324-E327 VanDerWaalsContact O-N 3.15Å; R324-E328 WeakPolarHBondContact CD-OE1 3.47Å; R324-E328 HydrophobicContact CG-CG 4.49Å; R324-E328 VanDerWaalsContact CG-OE1 3.29Å; R324-E328 WeakPolarHBondContact CG-OE1 3.38Å; R324-E328 IonicContact NE-OE1 3.94Å; R324-E328 WeakPolarHBondContact O-CG 3.36Å; R324-E328 PolarHBondContact O-N 3.32Å
325	L	96.7	Very high	96.2	Very high	50 Å²	50	35.6 Å²	35.6	26%	0.262	19%	0.185	S	C	.	.	H	α-helix	trans	-63.2	-36.6	179.4	-67.7	174.6	0	0	0	112.1	V291 E292 V295 E321 A322 S329	V291-L325 HydrophobicContact CG1-CB 3.54Å; V291-L325 HydrophobicContact CG1-CD1 3.66Å; V291-L325 HydrophobicContact CG1-CG 4.25Å; E292-L325 HydrophobicContact CG-CD1 4.5Å; V295-L325 HydrophobicContact CG2-CB 4.48Å; E321-L325 HydrophobicContact CB-CD1 4.45Å; E321-L325 HydrophobicContact CB-CG 4.47Å; E321-L325 PolarHBondContact O-N 3.23Å; A322-L325 PolarHBondContact O-N 3.24Å; L325-S329 VanDerWaalsContact O-CB 3.23Å; L325-S329 WeakPolarHBondContact O-CB 3.34Å; L325-S329 PolarHBondContact O-N 3Å; L325-S329 PolarHBondContact O-OG 2.84Å
326	I	97.4	Very high	96.2	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-62.9	-45.9	173.3	-67.1	165.2	0	0	0	110.4	I288 V291 L318 A322 P323 R324 E328 S329 V334 K351	I288-I326 HydrophobicContact CD1-CD1 4.24Å; V291-I326 HydrophobicContact CB-CG1 4.46Å; V291-I326 HydrophobicContact CG2-CD1 4.12Å; V291-I326 HydrophobicContact CG2-CG1 3.55Å; L318-I326 HydrophobicContact CD2-CD1 3.59Å; A322-I326 VanDerWaalsContact O-CG1 3.23Å; A322-I326 WeakPolarHBondContact O-CG1 3.42Å; A322-I326 PolarHBondContact O-N 3.13Å; P323-I326 PolarHBondContact O-N 3.04Å; R324-I326 VanDerWaalsContact C-N 3.31Å; R324-I326 PolarHBondContact O-N 3.31Å; I326-E328 PolarHBondContact O-N 3.29Å; I326-S329 PolarHBondContact O-N 2.95Å; I326-S329 PolarHBondContact O-OG 3.02Å; I326-V334 HydrophobicContact CD1-CG2 4.15Å; I326-V334 HydrophobicContact CG1-CG2 4.32Å; I326-V334 HydrophobicContact CG2-CB 4.5Å; I326-V334 HydrophobicContact CG2-CG2 3.5Å; I326-K351 HydrophobicContact CG2-CB 4.31Å; I326-K351 HydrophobicContact CG2-CD 4.23Å; I326-K351 PolarHBondContact O-NZ 3.07Å
327	E	96.9	Very high	96.3	Very high	78 Å²	78	35.4 Å²	35.4	36%	0.364	18%	0.184	S	C	.	.	H	α-helix	trans	-61.6	-44.1	-179.1	-168.1	62.1	-162.5	0	0	111.9	P323 R324 S329 C349 P350 K351	P323-E327 PolarHBondContact O-N 3.33Å; P323-E327 VanDerWaalsContact O-N 3.08Å; R324-E327 WeakPolarHBondContact O-CB 3.5Å; R324-E327 PolarHBondContact O-N 2.82Å; R324-E327 VanDerWaalsContact O-N 3.15Å; E327-S329 VanDerWaalsContact C-N 3.33Å; E327-S329 PolarHBondContact O-N 3.25Å; E327-C349 PolarHBondContact OE2-SG 3.41Å; E327-P350 WeakPolarHBondContact OE2-CD 3.29Å; E327-K351 WeakPolarHBondContact O-CE 3.2Å; E327-K351 PolarHBondContact O-NZ 3.45Å
328	E	96.7	Very high	96.4	Very high	136 Å²	136	34.7 Å²	34.7	64%	0.636	18%	0.18	S	C	*	.	H	α-helix	trans	-74.2	-20	-179.9	-68.3	170.7	-176.7	0	0	113.6	R324 I326	R324-E328 WeakPolarHBondContact CD-OE1 3.47Å; R324-E328 HydrophobicContact CG-CG 4.49Å; R324-E328 VanDerWaalsContact CG-OE1 3.29Å; R324-E328 WeakPolarHBondContact CG-OE1 3.38Å; R324-E328 IonicContact NE-OE1 3.94Å; R324-E328 WeakPolarHBondContact O-CG 3.36Å; R324-E328 PolarHBondContact O-N 3.32Å; I326-E328 PolarHBondContact O-N 3.29Å
329	S	97.1	Very high	96.5	Very high	13 Å²	13	34.6 Å²	34.6	9%	0.091	18%	0.18	C	C	.	.	S	Bend	trans	-79.4	168.4	-177.9	73.8	0	0	0	0	114.8	L325 I326 E327 V331 K351	L325-S329 VanDerWaalsContact O-CB 3.23Å; L325-S329 WeakPolarHBondContact O-CB 3.34Å; L325-S329 PolarHBondContact O-N 3Å; L325-S329 PolarHBondContact O-OG 2.84Å; I326-S329 PolarHBondContact O-N 2.95Å; I326-S329 PolarHBondContact O-OG 3.02Å; E327-S329 VanDerWaalsContact C-N 3.33Å; E327-S329 PolarHBondContact O-N 3.25Å; S329-V331 PolarHBondContact O-N 2.77Å; S329-V331 WeakPolarHBondContact OG-CB 3.46Å; S329-V331 WeakPolarHBondContact OG-CG2 3.23Å; S329-V331 PolarHBondContact OG-N 3.46Å; S329-K351 PolarHBondContact O-NZ 3.22Å
330	S	96.6	Very high	96.8	Very high	28 Å²	28	33.8 Å²	33.8	20%	0.196	17%	0.174	C	C	.	.	S	Bend	trans	-71.1	-1.2	171.6	60.9	0	0	0	0	115.6	A298 E299 D332	A298-S330 WeakPolarHBondContact CB-OG 3.48Å; E299-S330 VanDerWaalsContact CD-OG 3.27Å; E299-S330 WeakPolarHBondContact OE1-CB 3.32Å; E299-S330 PolarHBondContact OE1-N 3.14Å; E299-S330 VanDerWaalsContact OE1-N 3.14Å; E299-S330 PolarHBondContact OE1-OG 3.47Å; S330-D332 PolarHBondContact O-N 3.05Å
331	V	98.1	Very high	97	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.024	16%	0.156	C	C	.	.			trans	-65.6	130.6	173.5	-179.8	0	0	0	0	109.6	A298 I309 V311 S329 V334 K351	A298-V331 HydrophobicContact CB-CG2 3.51Å; I309-V331 HydrophobicContact CG2-CG2 4.38Å; V311-V331 HydrophobicContact CG2-CG1 3.86Å; V311-V331 HydrophobicContact CG2-CG2 4.21Å; S329-V331 PolarHBondContact O-N 2.77Å; S329-V331 WeakPolarHBondContact OG-CB 3.46Å; S329-V331 WeakPolarHBondContact OG-CG2 3.23Å; S329-V331 PolarHBondContact OG-N 3.46Å; V331-V334 HydrophobicContact CG1-CG2 3.72Å; V331-K351 WeakPolarHBondContact O-CD 3.37Å; V331-K351 WeakPolarHBondContact O-CE 3.39Å; V331-K351 PolarHBondContact O-NZ 3.3Å
332	D	98.3	Very high	97.1	Very high	48 Å²	48	27.2 Å²	27.2	26%	0.257	13%	0.134	S	C	.	.			trans	-84.6	-40.2	179.1	-67.8	-89.5	0	0	0	112	K308 I309 S330	K308-D332 VanDerWaalsContact CA-OD2 3.23Å; K308-D332 WeakPolarHBondContact CA-OD2 3.4Å; K308-D332 HydrophobicContact CD-CB 4.14Å; K308-D332 WeakPolarHBondContact CD-OD1 3.35Å; K308-D332 VanDerWaalsContact CD-OD2 3.23Å; K308-D332 WeakPolarHBondContact CD-OD2 3.47Å; K308-D332 IonicContact NZ-OD1 3.91Å; K308-D332 PolarHBondContact NZ-OD1 3.15Å; I309-D332 PolarHBondContact N-OD2 3.31Å; I309-D332 WeakPolarHBondContact O-CB 3.47Å; I309-D332 PolarHBondContact O-N 3.08Å; S330-D332 PolarHBondContact O-N 3.05Å
333	E	98.5	Very high	96.9	Very high	34 Å²	34	31.2 Å²	31.2	16%	0.159	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	140.3	-177	-165.9	171.5	85.1	0	0	111.8	Y189 Y310 V311 V335 K351 K353	Y189-E333 PolarHBondContact OH-OE1 3.44Å; Y310-E333 CarbonylContact C-O 3.51Å; Y310-E333 WeakPolarHBondContact CA-O 3.43Å; Y310-E333 HydrophobicContact CD1-CB 3.67Å; Y310-E333 HydrophobicContact CD1-CG 4.44Å; Y310-E333 HydrophobicContact CE1-CB 3.78Å; Y310-E333 HydrophobicContact CE1-CG 4.49Å; V311-E333 PolarHBondContact N-O 3.18Å; E333-V335 HydrophobicContact CG-CG2 4.13Å; E333-K351 WeakPolarHBondContact CG-O 3.12Å; E333-K353 HydrophobicContact CG-CG 3.73Å
334	V	98.6	Very high	96.8	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.006	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	116.6	175.6	178.2	0	0	0	0	108.4	I288 V311 I326 V331 V336 K351 I352 K353	I288-V334 HydrophobicContact CD1-CG1 3.83Å; V311-V334 HydrophobicContact CB-CG1 4.41Å; V311-V334 HydrophobicContact CB-CG2 4.15Å; V311-V334 HydrophobicContact CG2-CG2 4.44Å; V311-V334 CarbonylContact O-C 3.53Å; V311-V334 WeakPolarHBondContact O-CA 3.33Å; I326-V334 HydrophobicContact CD1-CG2 4.15Å; I326-V334 HydrophobicContact CG1-CG2 4.32Å; I326-V334 HydrophobicContact CG2-CB 4.5Å; I326-V334 HydrophobicContact CG2-CG2 3.5Å; V331-V334 HydrophobicContact CG1-CG2 3.72Å; V334-V336 HydrophobicContact CG1-CG1 4.19Å; V334-K351 PolarHBondContact N-O 3.34Å; V334-I352 HydrophobicContact CB-CG1 4.42Å; V334-I352 CarbonylContact O-C 3.57Å; V334-I352 VanDerWaalsContact O-CA 3.3Å; V334-I352 WeakPolarHBondContact O-CA 3.23Å; V334-K353 PolarHBondContact O-N 2.91Å
335	V	98.6	Very high	96.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	116.6	-176.9	-173.1	0	0	0	0	108.8	L186 Y189 V311 M312 A313 E333 K353 V355	L186-V335 HydrophobicContact CD2-CG1 4.1Å; Y189-V335 HydrophobicContact CD1-CB 4.47Å; Y189-V335 HydrophobicContact CD1-CG1 3.86Å; Y189-V335 HydrophobicContact CD1-CG2 3.94Å; Y189-V335 HydrophobicContact CD2-CG1 4.34Å; Y189-V335 HydrophobicContact CE1-CB 4.28Å; Y189-V335 HydrophobicContact CE1-CG1 3.92Å; Y189-V335 HydrophobicContact CE1-CG2 3.37Å; Y189-V335 HydrophobicContact CE2-CG1 4.38Å; Y189-V335 HydrophobicContact CG-CG1 4.08Å; V311-V335 PolarHBondContact O-N 3.15Å; M312-V335 WeakPolarHBondContact CA-O 3.28Å; M312-V335 HydrophobicContact CE-CB 4.01Å; M312-V335 HydrophobicContact CE-CG2 3.58Å; M312-V335 HydrophobicContact SD-CB 3.52Å; M312-V335 VanDerWaalsContact SD-CB 3.52Å; M312-V335 HydrophobicContact SD-CG1 3.97Å; M312-V335 HydrophobicContact SD-CG2 3.82Å; A313-V335 PolarHBondContact N-O 3.08Å; E333-V335 HydrophobicContact CG-CG2 4.13Å; V335-K353 WeakPolarHBondContact CA-O 3.18Å; V335-K353 HydrophobicContact CG2-CB 4.34Å; V335-V355 HydrophobicContact CG1-CG2 3.65Å
336	V	98.4	Very high	96.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	160.8	178.2	-66.1	0	0	0	0	111.4	I288 A313 V334 I352 K353 T354 V355	I288-V336 HydrophobicContact CG2-CG1 3.51Å; A313-V336 HydrophobicContact CB-CG1 4.33Å; A313-V336 VanDerWaalsContact O-CA 3.27Å; A313-V336 WeakPolarHBondContact O-CA 3.45Å; V334-V336 HydrophobicContact CG1-CG1 4.19Å; V336-I352 HydrophobicContact CG2-CG2 4.08Å; V336-K353 PolarHBondContact N-O 3.31Å; V336-T354 CarbonylContact O-C 3.54Å; V336-T354 VanDerWaalsContact O-CA 3.24Å; V336-T354 WeakPolarHBondContact O-CA 3.45Å; V336-V355 PolarHBondContact O-N 3.36Å
337	T	98.5	Very high	96.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	162.7	171.3	77	0	0	0	0	111.9	A182 L186 T314 T339 H342 V355 I357	A182-T337 HydrophobicContact CB-CG2 3.77Å; L186-T337 HydrophobicContact CD2-CG2 4.33Å; T314-T337 HydrophobicContact CG2-CG2 4.27Å; T314-T337 WeakPolarHBondContact O-CB 3.29Å; T314-T337 PolarHBondContact O-N 3.47Å; T314-T337 PolarHBondContact O-OG1 3.41Å; T337-T339 PolarHBondContact O-N 2.61Å; T337-T339 VanDerWaalsContact O-N 3.1Å; T337-T339 WeakPolarHBondContact OG1-CG2 3.22Å; T337-T339 PolarHBondContact OG1-N 3.44Å; T337-T339 PolarHBondContact OG1-OG1 2.97Å; T337-H342 PolarHBondContact O-CE1 2.85Å; T337-H342 VanDerWaalsContact O-CE1 3.3Å; T337-V355 VanDerWaalsContact CA-O 3.26Å; T337-V355 WeakPolarHBondContact CA-O 3.48Å; T337-I357 HydrophobicContact CG2-CG2 3.76Å
338	N	97.4	Very high	96.3	Very high	14 Å²	14	42 Å²	42	8%	0.075	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-77	26.2	171.5	64	-18.5	0	0	0	114.8	R54 V340 T354 V355 D356 I357	R54-N338 PolarHBondContact NH1-ND2 3.36Å; N338-V340 VanDerWaalsContact C-N 3.25Å; N338-V340 PolarHBondContact O-N 3.31Å; N338-T354 HydrophobicContact CB-CG2 3.82Å; N338-V355 PolarHBondContact N-O 3.42Å; N338-V355 VanDerWaalsContact N-O 3.12Å; N338-V355 PolarHBondContact OD1-O 3.28Å; N338-D356 PolarHBondContact ND2-OD1 2.59Å; N338-D356 WeakPolarHBondContact OD1-CA 3.46Å; N338-I357 VanDerWaalsContact OD1-CD1 3.24Å; N338-I357 WeakPolarHBondContact OD1-CD1 3.19Å; N338-I357 WeakPolarHBondContact OD1-CG1 3.3Å; N338-I357 PolarHBondContact OD1-N 2.97Å
339	T	97.7	Very high	96.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-32.6	170.9	47.4	0	0	0	0	113.8	P126 M162 T314 H315 T337 I357	P126-T339 HydrophobicContact CB-CG2 3.84Å; M162-T339 HydrophobicContact CE-CG2 3.03Å; T314-T339 HydrophobicContact CG2-CG2 4.19Å; T314-T339 PolarHBondContact O-OG1 2.83Å; H315-T339 WeakPolarHBondContact ND1-CB 3.37Å; H315-T339 PolarHBondContact ND1-OG1 2.99Å; T337-T339 PolarHBondContact O-N 2.61Å; T337-T339 VanDerWaalsContact O-N 3.1Å; T337-T339 WeakPolarHBondContact OG1-CG2 3.22Å; T337-T339 PolarHBondContact OG1-N 3.44Å; T337-T339 PolarHBondContact OG1-OG1 2.97Å; T339-I357 HydrophobicContact CG2-CD1 4.29Å; T339-I357 HydrophobicContact CG2-CG1 4.12Å
340	V	96.5	Very high	96.3	Very high	5 Å²	5	38.8 Å²	38.8	3%	0.03	21%	0.206	C	C	.	.	S	Bend	trans	-121.8	133.3	176.7	-179.8	0	0	0	0	107.5	Y127 H315 I317 N338 H342	Y127-V340 HydrophobicContact CD1-CG2 3.71Å; Y127-V340 HydrophobicContact CG-CG2 3.71Å; H315-V340 HydrophobicContact CB-CG2 4.5Å; I317-V340 HydrophobicContact CG1-CG2 4.38Å; N338-V340 VanDerWaalsContact C-N 3.25Å; N338-V340 PolarHBondContact O-N 3.31Å; V340-H342 PolarHBondContact O-N 3.07Å; V340-H342 PolarHBondContact O-ND1 2.71Å
341	P	95	Very high	96.3	Very high	33 Å²	33	39.3 Å²	39.3	21%	0.214	21%	0.205	C	C	.	.			trans	-66.3	126.8	177	-18.9	31.9	0	0	0	111	C48	C48-P341 HydrophobicContact CB-CG 4.19Å
342	H	94.5	Very high	96.4	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	20%	0.204	C	C	.	.			trans	-141.5	28.9	-176	55.3	-94.4	0	0	0	113.8	L318 T337 V340 V344 Q345 K346 T354	L318-H342 HydrophobicContact CD1-CB 4.22Å; T337-H342 PolarHBondContact O-CE1 2.85Å; T337-H342 VanDerWaalsContact O-CE1 3.3Å; V340-H342 PolarHBondContact O-N 3.07Å; V340-H342 PolarHBondContact O-ND1 2.71Å; H342-V344 VanDerWaalsContact C-N 3.3Å; H342-V344 PolarHBondContact O-N 3.09Å; H342-Q345 VanDerWaalsContact C-OE1 3.29Å; H342-Q345 HydrophobicContact CB-CB 4.31Å; H342-Q345 PolarHBondContact O-N 3.32Å; H342-Q345 PolarHBondContact O-OE1 3.11Å; H342-K346 WeakPolarHBondContact O-CB 3.42Å; H342-K346 PolarHBondContact O-N 3.32Å; H342-T354 WeakPolarHBondContact NE2-CG2 3.23Å; H342-T354 PolarHBondContact NE2-OG1 2.87Å
343	E	91.4	Very high	96.3	Very high	88 Å²	88	40.7 Å²	40.7	41%	0.411	21%	0.208	S	C	.	.	H	α-helix	trans	-62.2	-36.2	-176.9	-59.5	-56.6	150.1	0	0	112.7	K346 L347	E343-K346 PolarHBondContact O-N 3.3Å; E343-L347 WeakPolarHBondContact O-CG 3.1Å; E343-L347 PolarHBondContact O-N 3.27Å; E343-L347 VanDerWaalsContact O-N 3.08Å
344	V	92.9	Very high	96.3	Very high	93 Å²	93	40.8 Å²	40.8	56%	0.564	21%	0.211	S	C	*	.	H	α-helix	trans	-66.4	-44.4	177	178.3	0	0	0	0	110.7	H342 K346 L347 Q348	H342-V344 VanDerWaalsContact C-N 3.3Å; H342-V344 PolarHBondContact O-N 3.09Å; V344-K346 VanDerWaalsContact C-N 3.31Å; V344-K346 PolarHBondContact O-N 2.85Å; V344-L347 WeakPolarHBondContact O-CB 3.49Å; V344-L347 PolarHBondContact O-N 2.88Å; V344-Q348 WeakPolarHBondContact O-CG 3.39Å; V344-Q348 PolarHBondContact O-N 3.4Å; V344-Q348 VanDerWaalsContact O-N 3.16Å
345	Q	94.1	Very high	96.3	Very high	38 Å²	38	41.5 Å²	41.5	18%	0.178	22%	0.216	C	C	.	.	H	α-helix	trans	-63.1	-40	178.3	-66.2	91.8	-33.8	0	0	111.3	I317 L318 P323 H342 L347 Q348 C349 I352	I317-Q345 PolarHBondContact O-NE2 2.91Å; L318-Q345 HydrophobicContact CB-CB 4.36Å; L318-Q345 HydrophobicContact CB-CG 3.92Å; L318-Q345 HydrophobicContact CD1-CB 4.27Å; L318-Q345 PolarHBondContact O-NE2 2.76Å; P323-Q345 HydrophobicContact CB-CB 4.46Å; P323-Q345 HydrophobicContact CG-CB 3.61Å; P323-Q345 HydrophobicContact CG-CG 3.6Å; H342-Q345 VanDerWaalsContact C-OE1 3.29Å; H342-Q345 HydrophobicContact CB-CB 4.31Å; H342-Q345 PolarHBondContact O-N 3.32Å; H342-Q345 PolarHBondContact O-OE1 3.11Å; Q345-L347 VanDerWaalsContact C-N 3.34Å; Q345-L347 PolarHBondContact O-N 3.2Å; Q345-Q348 WeakPolarHBondContact O-CB 3.19Å; Q345-Q348 PolarHBondContact O-N 3.43Å; Q345-Q348 VanDerWaalsContact O-N 3.14Å; Q345-C349 PolarHBondContact O-N 2.86Å; Q345-I352 HydrophobicContact CB-CD1 4.24Å
346	K	93.7	Very high	96.2	Very high	76 Å²	76	43.8 Å²	43.8	33%	0.33	23%	0.228	S	C	.	.	H	α-helix	trans	-66.2	-34.1	176.8	-170.8	175.5	-176.2	173	0	113.1	H342 E343 V344 Q348 C349 T354	H342-K346 WeakPolarHBondContact O-CB 3.42Å; H342-K346 PolarHBondContact O-N 3.32Å; E343-K346 PolarHBondContact O-N 3.3Å; V344-K346 VanDerWaalsContact C-N 3.31Å; V344-K346 PolarHBondContact O-N 2.85Å; K346-Q348 VanDerWaalsContact C-N 3.3Å; K346-C349 CarbonylContact O-C 3.43Å; K346-T354 PolarHBondContact NZ-OG1 3.43Å; K346-T354 VanDerWaalsContact NZ-OG1 3.12Å
347	L	94.3	Very high	96.2	Very high	155 Å²	155	43.8 Å²	43.8	81%	0.812	23%	0.228	S	C	*	.	H	α-helix	trans	-67.1	-32.7	171.9	-73.9	168.1	0	0	0	112.2	E343 V344 Q345	E343-L347 WeakPolarHBondContact O-CG 3.1Å; E343-L347 PolarHBondContact O-N 3.27Å; E343-L347 VanDerWaalsContact O-N 3.08Å; V344-L347 WeakPolarHBondContact O-CB 3.49Å; V344-L347 PolarHBondContact O-N 2.88Å; Q345-L347 VanDerWaalsContact C-N 3.34Å; Q345-L347 PolarHBondContact O-N 3.2Å
348	Q	95.3	Very high	96.1	Very high	115 Å²	115	43.8 Å²	43.8	54%	0.537	23%	0.228	S	C	.	.	H	α-helix	trans	-78.5	-30.2	178.5	-68.8	172.7	-2.9	0	0	113.1	P323 V344 Q345 K346	P323-Q348 HydrophobicContact CB-CB 3.84Å; V344-Q348 WeakPolarHBondContact O-CG 3.39Å; V344-Q348 PolarHBondContact O-N 3.4Å; V344-Q348 VanDerWaalsContact O-N 3.16Å; Q345-Q348 WeakPolarHBondContact O-CB 3.19Å; Q345-Q348 PolarHBondContact O-N 3.43Å; Q345-Q348 VanDerWaalsContact O-N 3.14Å; K346-Q348 VanDerWaalsContact C-N 3.3Å
349	C	96.6	Very high	96	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.245	C	C	.	.			trans	-136.4	104.2	-176.9	179.2	0	0	0	0	111.4	P323 E327 Q345 K346 K351 I352	P323-C349 HydrophobicContact CB-CB 3.88Å; P323-C349 WeakPolarHBondContact O-CB 3.43Å; E327-C349 PolarHBondContact OE2-SG 3.41Å; Q345-C349 PolarHBondContact O-N 2.86Å; K346-C349 CarbonylContact O-C 3.43Å; C349-K351 PolarHBondContact O-N 2.89Å; C349-I352 HydrophobicContact CB-CD1 3.77Å; C349-I352 HydrophobicContact CB-CG1 4.11Å; C349-I352 PolarHBondContact O-N 2.95Å; C349-I352 VanDerWaalsContact O-N 3.11Å
350	P	96.8	Very high	95.9	Very high	81 Å²	81	47.5 Å²	47.5	53%	0.526	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-14.5	-178.5	28.2	-36.4	0	0	0	114.2	E327 I352 K353	E327-P350 WeakPolarHBondContact OE2-CD 3.29Å; P350-I352 PolarHBondContact O-N 3.09Å; P350-K353 PolarHBondContact O-NZ 3.13Å; P350-K353 VanDerWaalsContact O-NZ 3.09Å
351	K	97.9	Very high	95.9	Very high	40 Å²	40	47.3 Å²	47.3	17%	0.174	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-17.1	171.1	-60	179.2	-178.3	-178.8	0	112.5	I326 E327 S329 V331 E333 V334 C349 K353	I326-K351 HydrophobicContact CG2-CB 4.31Å; I326-K351 HydrophobicContact CG2-CD 4.23Å; I326-K351 PolarHBondContact O-NZ 3.07Å; E327-K351 WeakPolarHBondContact O-CE 3.2Å; E327-K351 PolarHBondContact O-NZ 3.45Å; S329-K351 PolarHBondContact O-NZ 3.22Å; V331-K351 WeakPolarHBondContact O-CD 3.37Å; V331-K351 WeakPolarHBondContact O-CE 3.39Å; V331-K351 PolarHBondContact O-NZ 3.3Å; E333-K351 WeakPolarHBondContact CG-O 3.12Å; V334-K351 PolarHBondContact N-O 3.34Å; C349-K351 PolarHBondContact O-N 2.89Å; K351-K353 PolarHBondContact O-N 3.3Å
352	I	98.3	Very high	96	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	116.3	178.4	-59.2	167	0	0	0	110.1	L318 P323 V334 V336 Q345 C349 P350	L318-I352 HydrophobicContact CD1-CD1 3.97Å; L318-I352 HydrophobicContact CD1-CG2 4.33Å; P323-I352 HydrophobicContact CB-CD1 4.47Å; V334-I352 HydrophobicContact CB-CG1 4.42Å; V334-I352 CarbonylContact O-C 3.57Å; V334-I352 VanDerWaalsContact O-CA 3.3Å; V334-I352 WeakPolarHBondContact O-CA 3.23Å; V336-I352 HydrophobicContact CG2-CG2 4.08Å; Q345-I352 HydrophobicContact CB-CD1 4.24Å; C349-I352 HydrophobicContact CB-CD1 3.77Å; C349-I352 HydrophobicContact CB-CG1 4.11Å; C349-I352 PolarHBondContact O-N 2.95Å; C349-I352 VanDerWaalsContact O-N 3.11Å; P350-I352 PolarHBondContact O-N 3.09Å
353	K	98.2	Very high	96.1	Very high	79 Å²	79	48.2 Å²	48.2	34%	0.343	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	146.4	172.1	-57	-55.1	-176.1	-153.4	0	110.3	E333 V334 V335 V336 P350 K351	E333-K353 HydrophobicContact CG-CG 3.73Å; V334-K353 PolarHBondContact O-N 2.91Å; V335-K353 WeakPolarHBondContact CA-O 3.18Å; V335-K353 HydrophobicContact CG2-CB 4.34Å; V336-K353 PolarHBondContact N-O 3.31Å; P350-K353 PolarHBondContact O-NZ 3.13Å; P350-K353 VanDerWaalsContact O-NZ 3.09Å; K351-K353 PolarHBondContact O-N 3.3Å
354	T	98	Very high	96.3	Very high	37 Å²	37	44 Å²	44	23%	0.227	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	125.4	-175.1	-43.3	0	0	0	0	110.3	V336 N338 H342 K346	V336-T354 CarbonylContact O-C 3.54Å; V336-T354 VanDerWaalsContact O-CA 3.24Å; V336-T354 WeakPolarHBondContact O-CA 3.45Å; N338-T354 HydrophobicContact CB-CG2 3.82Å; H342-T354 WeakPolarHBondContact NE2-CG2 3.23Å; H342-T354 PolarHBondContact NE2-OG1 2.87Å; K346-T354 PolarHBondContact NZ-OG1 3.43Å; K346-T354 VanDerWaalsContact NZ-OG1 3.12Å
355	V	98.1	Very high	96.5	Very high	16 Å²	16	39.6 Å²	39.6	10%	0.097	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	128.7	170.8	177.7	0	0	0	0	109.5	F185 L186 Y189 V335 V336 T337 N338	F185-V355 HydrophobicContact CB-CG1 3.77Å; L186-V355 HydrophobicContact CD2-CB 4.47Å; L186-V355 HydrophobicContact CD2-CG2 4.17Å; Y189-V355 HydrophobicContact CD2-CG2 3.74Å; Y189-V355 HydrophobicContact CE2-CG2 4.38Å; Y189-V355 HydrophobicContact CG-CG2 4.14Å; V335-V355 HydrophobicContact CG1-CG2 3.65Å; V336-V355 PolarHBondContact O-N 3.36Å; T337-V355 VanDerWaalsContact CA-O 3.26Å; T337-V355 WeakPolarHBondContact CA-O 3.48Å; N338-V355 PolarHBondContact N-O 3.42Å; N338-V355 VanDerWaalsContact N-O 3.12Å; N338-V355 PolarHBondContact OD1-O 3.28Å
356	D	97.4	Very high	96.5	Very high	47 Å²	47	40.7 Å²	40.7	25%	0.251	20%	0.204	S	C	.	.			trans	-80.4	122.8	179.7	178.6	37.3	0	0	0	111.6	R58 N338 S358	R58-D356 IonicContact CZ-OD2 2.63Å; R58-D356 IonicContact NE-OD2 2.67Å; R58-D356 IonicContact NH2-OD2 3.84Å; R58-D356 PolarHBondContact NH2-OD2 2.89Å; N338-D356 PolarHBondContact ND2-OD1 2.59Å; N338-D356 WeakPolarHBondContact OD1-CA 3.46Å; D356-S358 VanDerWaalsContact OD1-CB 3.3Å; D356-S358 WeakPolarHBondContact OD1-CB 3.13Å; D356-S358 PolarHBondContact OD1-N 3.45Å; D356-S358 PolarHBondContact OD1-OG 3.49Å; D356-S358 PolarHBondContact OD2-OG 2.99Å
357	I	97.1	Very high	96.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.194	C	C	.	.			trans	-111.1	9.2	178	53.8	58.7	0	0	0	113.1	L51 M162 F185 T337 N338 T339 L359 I360 L361	L51-I357 HydrophobicContact CD1-CD1 3.83Å; L51-I357 HydrophobicContact CD2-CD1 4.11Å; M162-I357 HydrophobicContact CE-CB 3.93Å; M162-I357 HydrophobicContact CE-CD1 4.32Å; M162-I357 HydrophobicContact CE-CG1 3.59Å; M162-I357 HydrophobicContact CE-CG2 3.95Å; M162-I357 HydrophobicContact SD-CB 4.3Å; M162-I357 HydrophobicContact SD-CG2 4.34Å; F185-I357 HydrophobicContact CG-CG2 4.5Å; T337-I357 HydrophobicContact CG2-CG2 3.76Å; N338-I357 VanDerWaalsContact OD1-CD1 3.24Å; N338-I357 WeakPolarHBondContact OD1-CD1 3.19Å; N338-I357 WeakPolarHBondContact OD1-CG1 3.3Å; N338-I357 PolarHBondContact OD1-N 2.97Å; T339-I357 HydrophobicContact CG2-CD1 4.29Å; T339-I357 HydrophobicContact CG2-CG1 4.12Å; I357-L359 PolarHBondContact O-N 2.92Å; I357-I360 HydrophobicContact CB-CG2 3.96Å; I357-I360 WeakPolarHBondContact O-CG2 3.38Å; I357-I360 PolarHBondContact O-N 3.31Å; I357-L361 HydrophobicContact CD1-CD1 3.54Å; I357-L361 HydrophobicContact CD1-CG 4.26Å; I357-L361 PolarHBondContact O-N 3.43Å
358	S	97	Very high	96.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-59.9	-28.3	176.4	60.3	0	0	0	0	112.4	R58 D356 S362	R58-S358 PolarHBondContact NE-OG 2.84Å; D356-S358 VanDerWaalsContact OD1-CB 3.3Å; D356-S358 WeakPolarHBondContact OD1-CB 3.13Å; D356-S358 PolarHBondContact OD1-N 3.45Å; D356-S358 PolarHBondContact OD1-OG 3.49Å; D356-S358 PolarHBondContact OD2-OG 2.99Å; S358-S362 VanDerWaalsContact O-CB 3.28Å; S358-S362 WeakPolarHBondContact O-CB 3.48Å; S358-S362 PolarHBondContact O-N 2.9Å; S358-S362 PolarHBondContact O-OG 3.37Å; S358-S362 VanDerWaalsContact O-OG 3.12Å
359	L	94.9	Very high	96.5	Very high	85 Å²	85	30.5 Å²	30.5	45%	0.445	15%	0.153	S	C	.	.	H	α-helix	trans	-60.3	-53.9	175.5	-175.3	70.7	0	0	0	112	F185 I357 L361 S362 E363	F185-L359 HydrophobicContact CE1-CB 4.41Å; F185-L359 HydrophobicContact CE1-CD2 4.2Å; F185-L359 HydrophobicContact CZ-CB 4.42Å; F185-L359 HydrophobicContact CZ-CD2 4.24Å; I357-L359 PolarHBondContact O-N 2.92Å; L359-L361 VanDerWaalsContact C-N 3.32Å; L359-L361 PolarHBondContact O-N 3.11Å; L359-S362 PolarHBondContact O-N 3.24Å; L359-S362 PolarHBondContact O-OG 2.82Å; L359-E363 WeakPolarHBondContact O-CB 3.32Å; L359-E363 PolarHBondContact O-N 3.15Å
360	I	96	Very high	96.4	Very high	8 Å²	8	34.3 Å²	34.3	4%	0.041	17%	0.173	C	C	.	.	H	α-helix	trans	-66	-36.6	-177.5	-170.1	175.4	0	0	0	111.7	M162 L180 R181 F185 I357 E363 A364 L377	M162-I360 HydrophobicContact SD-CG2 4.16Å; L180-I360 HydrophobicContact CB-CD1 4.14Å; L180-I360 HydrophobicContact CD1-CG1 4.26Å; R181-I360 WeakPolarHBondContact O-CD1 3.47Å; F185-I360 HydrophobicContact CE2-CB 3.75Å; F185-I360 HydrophobicContact CE2-CD1 4.15Å; F185-I360 HydrophobicContact CE2-CG1 4.42Å; F185-I360 HydrophobicContact CE2-CG2 4Å; F185-I360 HydrophobicContact CZ-CB 3.92Å; F185-I360 HydrophobicContact CZ-CG2 4.3Å; I357-I360 HydrophobicContact CB-CG2 3.96Å; I357-I360 WeakPolarHBondContact O-CG2 3.38Å; I357-I360 PolarHBondContact O-N 3.31Å; I360-E363 PolarHBondContact O-N 3.02Å; I360-A364 WeakPolarHBondContact O-CB 3.33Å; I360-A364 PolarHBondContact O-N 2.94Å; I360-L377 HydrophobicContact CG1-CD2 4.35Å
361	L	97.2	Very high	96.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-67.5	-43.4	175.5	-68.4	175	0	0	0	112.1	L51 I55 V124 P126 I160 L180 I357 L359 E363 A364 I365	L51-L361 HydrophobicContact CD1-CD1 4.32Å; L51-L361 HydrophobicContact CD2-CD1 3.91Å; L51-L361 HydrophobicContact CG-CD1 4.39Å; I55-L361 HydrophobicContact CD1-CB 3.74Å; I55-L361 HydrophobicContact CD1-CD1 3.72Å; I55-L361 HydrophobicContact CD1-CG 4.4Å; I55-L361 HydrophobicContact CG1-CB 4.11Å; V124-L361 HydrophobicContact CG1-CD2 4.12Å; P126-L361 HydrophobicContact CB-CD1 4.14Å; P126-L361 HydrophobicContact CG-CD1 3.73Å; I160-L361 HydrophobicContact CG2-CD2 4.28Å; L180-L361 HydrophobicContact CD1-CD2 3.84Å; I357-L361 HydrophobicContact CD1-CD1 3.54Å; I357-L361 HydrophobicContact CD1-CG 4.26Å; I357-L361 PolarHBondContact O-N 3.43Å; L359-L361 VanDerWaalsContact C-N 3.32Å; L359-L361 PolarHBondContact O-N 3.11Å; L361-E363 VanDerWaalsContact C-N 3.32Å; L361-E363 PolarHBondContact O-N 3.33Å; L361-A364 PolarHBondContact O-N 3.31Å; L361-I365 WeakPolarHBondContact O-CG1 3.4Å; L361-I365 PolarHBondContact O-N 2.89Å
362	S	96.4	Very high	95.9	Very high	8 Å²	8	35.1 Å²	35.1	6%	0.056	19%	0.19	C	C	.	.	H	α-helix	trans	-62	-41.2	176.3	67.2	0	0	0	0	111.7	L59 S358 L359 I365 R366	L59-S362 WeakPolarHBondContact CD2-O 3.38Å; S358-S362 VanDerWaalsContact O-CB 3.28Å; S358-S362 WeakPolarHBondContact O-CB 3.48Å; S358-S362 PolarHBondContact O-N 2.9Å; S358-S362 PolarHBondContact O-OG 3.37Å; S358-S362 VanDerWaalsContact O-OG 3.12Å; L359-S362 PolarHBondContact O-N 3.24Å; L359-S362 PolarHBondContact O-OG 2.82Å; S362-I365 PolarHBondContact O-N 2.89Å; S362-R366 WeakPolarHBondContact O-CB 3.39Å; S362-R366 PolarHBondContact O-N 3.35Å
363	E	95.5	Very high	95.5	Very high	46 Å²	46	38.9 Å²	38.9	22%	0.215	22%	0.216	C	C	.	.	H	α-helix	trans	-68.8	-36.2	178.6	-175.9	59.7	-167.8	0	0	112.1	L359 I360 L361 R366 R367 L377	L359-E363 WeakPolarHBondContact O-CB 3.32Å; L359-E363 PolarHBondContact O-N 3.15Å; I360-E363 PolarHBondContact O-N 3.02Å; L361-E363 VanDerWaalsContact C-N 3.32Å; L361-E363 PolarHBondContact O-N 3.33Å; E363-R366 PolarHBondContact O-N 2.82Å; E363-R366 IonicContact OE1-CZ 3.71Å; E363-R366 IonicContact OE1-NE 3.5Å; E363-R366 IonicContact OE1-NH2 2.71Å; E363-R366 PolarHBondContact OE1-NH2 2.94Å; E363-R366 IonicContact OE2-CZ 3.85Å; E363-R366 IonicContact OE2-NE 3.81Å; E363-R366 PolarHBondContact OE2-NE 3.33Å; E363-R366 IonicContact OE2-NH2 3.97Å; E363-R367 WeakPolarHBondContact O-CB 3.43Å; E363-R367 VanDerWaalsContact O-CG 3.28Å; E363-R367 WeakPolarHBondContact O-CG 3.38Å; E363-R367 PolarHBondContact O-N 3.17Å; E363-R367 IonicContact OE1-CZ 3.69Å; E363-R367 IonicContact OE1-NE 3.85Å; E363-R367 PolarHBondContact OE1-NE 3.06Å; E363-R367 IonicContact OE1-NH2 3.57Å; E363-R367 PolarHBondContact OE1-NH2 3.33Å; E363-L377 HydrophobicContact CB-CD2 4.42Å; E363-L377 HydrophobicContact CG-CD2 3.86Å
364	A	96.5	Very high	95.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-62.1	-47.7	172.7	0	0	0	0	0	112	I160 L180 I360 L361 R366 R367 I368 M374 L377	I160-A364 HydrophobicContact CD1-CB 4.17Å; I160-A364 HydrophobicContact CG2-CB 4.11Å; L180-A364 HydrophobicContact CD1-CB 3.76Å; L180-A364 HydrophobicContact CD2-CB 4.25Å; I360-A364 WeakPolarHBondContact O-CB 3.33Å; I360-A364 PolarHBondContact O-N 2.94Å; L361-A364 PolarHBondContact O-N 3.31Å; A364-R366 VanDerWaalsContact C-N 3.34Å; A364-R366 PolarHBondContact O-N 3.06Å; A364-R367 PolarHBondContact O-N 3.49Å; A364-I368 WeakPolarHBondContact O-CG1 3.17Å; A364-I368 PolarHBondContact O-N 3.45Å; A364-M374 HydrophobicContact CB-CE 3.64Å; A364-M374 HydrophobicContact CB-SD 4.48Å; A364-L377 HydrophobicContact CB-CD1 4.05Å
365	I	96.4	Very high	94.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-58.6	-47.2	175.9	-69.3	166.2	0	0	0	110.6	I55 L59 F90 V124 I160 L361 S362 R367 I368 H369	I55-I365 HydrophobicContact CG2-CD1 3.56Å; L59-I365 HydrophobicContact CD1-CB 4.29Å; L59-I365 HydrophobicContact CD1-CD1 4.36Å; L59-I365 HydrophobicContact CD1-CG2 3.76Å; F90-I365 HydrophobicContact CD1-CB 4.34Å; F90-I365 HydrophobicContact CD1-CG1 3.92Å; F90-I365 HydrophobicContact CD1-CG2 3.9Å; F90-I365 HydrophobicContact CD2-CG2 3.96Å; F90-I365 HydrophobicContact CE1-CB 4.25Å; F90-I365 HydrophobicContact CE1-CG1 4.22Å; F90-I365 HydrophobicContact CE1-CG2 3.85Å; F90-I365 HydrophobicContact CE2-CG2 3.92Å; F90-I365 HydrophobicContact CG-CG1 4.47Å; F90-I365 HydrophobicContact CG-CG2 3.96Å; F90-I365 HydrophobicContact CZ-CG2 3.86Å; V124-I365 HydrophobicContact CG2-CD1 4.04Å; V124-I365 HydrophobicContact CG2-CG1 4.06Å; I160-I365 HydrophobicContact CD1-CG1 3.94Å; L361-I365 WeakPolarHBondContact O-CG1 3.4Å; L361-I365 PolarHBondContact O-N 2.89Å; S362-I365 PolarHBondContact O-N 2.89Å; I365-R367 VanDerWaalsContact C-N 3.34Å; I365-R367 PolarHBondContact O-N 2.87Å; I365-I368 PolarHBondContact O-N 2.82Å; I365-H369 WeakPolarHBondContact O-CB 3.28Å; I365-H369 PolarHBondContact O-N 3.29Å
366	R	95.6	Very high	93.5	Very high	61 Å²	61	43.2 Å²	43.2	23%	0.23	24%	0.238	C	C	.	.	H	α-helix	trans	-57.6	-46.3	179.5	-164.1	-167.4	66.5	66.8	5.5	111.5	Y37 L59 S362 E363 A364 N370 E372	Y37-R366 WeakPolarHBondContact OH-CG 3.42Å; L59-R366 HydrophobicContact CD2-CB 4.1Å; S362-R366 WeakPolarHBondContact O-CB 3.39Å; S362-R366 PolarHBondContact O-N 3.35Å; E363-R366 PolarHBondContact O-N 2.82Å; E363-R366 IonicContact OE1-CZ 3.71Å; E363-R366 IonicContact OE1-NE 3.5Å; E363-R366 IonicContact OE1-NH2 2.71Å; E363-R366 PolarHBondContact OE1-NH2 2.94Å; E363-R366 IonicContact OE2-CZ 3.85Å; E363-R366 IonicContact OE2-NE 3.81Å; E363-R366 PolarHBondContact OE2-NE 3.33Å; E363-R366 IonicContact OE2-NH2 3.97Å; A364-R366 VanDerWaalsContact C-N 3.34Å; A364-R366 PolarHBondContact O-N 3.06Å; R366-N370 PolarHBondContact NH1-ND2 3.22Å; R366-N370 WeakPolarHBondContact O-CB 3.44Å; R366-N370 VanDerWaalsContact O-CG 3.31Å; R366-N370 PolarHBondContact O-N 3.23Å; R366-N370 VanDerWaalsContact O-N 3.12Å; R366-N370 PolarHBondContact O-ND2 2.87Å; R366-E372 IonicContact CZ-OE1 2.69Å; R366-E372 IonicContact CZ-OE2 3.98Å; R366-E372 VanDerWaalsContact NH1-CD 3.3Å; R366-E372 IonicContact NH1-OE1 3.87Å; R366-E372 PolarHBondContact NH1-OE1 2.69Å; R366-E372 IonicContact NH1-OE2 3.49Å; R366-E372 PolarHBondContact NH1-OE2 3.16Å; R366-E372 VanDerWaalsContact NH1-OE2 3.12Å; R366-E372 IonicContact NH2-OE1 3.08Å; R366-E372 IonicContact NH2-OE2 2.76Å; R366-E372 PolarHBondContact NH2-OE2 3.31Å
367	R	94.9	Very high	92.7	Very high	33 Å²	33	42.2 Å²	42.2	13%	0.125	23%	0.232	C	C	.	.	H	α-helix	trans	-66.4	-47.2	-179.2	-74.9	175.5	-177.8	-78.9	-17.2	112.6	E363 A364 I365 H369 N370 G371 E372 S373 M374	E363-R367 WeakPolarHBondContact O-CB 3.43Å; E363-R367 VanDerWaalsContact O-CG 3.28Å; E363-R367 WeakPolarHBondContact O-CG 3.38Å; E363-R367 PolarHBondContact O-N 3.17Å; E363-R367 IonicContact OE1-CZ 3.69Å; E363-R367 IonicContact OE1-NE 3.85Å; E363-R367 PolarHBondContact OE1-NE 3.06Å; E363-R367 IonicContact OE1-NH2 3.57Å; E363-R367 PolarHBondContact OE1-NH2 3.33Å; A364-R367 PolarHBondContact O-N 3.49Å; I365-R367 VanDerWaalsContact C-N 3.34Å; I365-R367 PolarHBondContact O-N 2.87Å; R367-H369 VanDerWaalsContact C-N 3.32Å; R367-H369 PolarHBondContact O-N 3.47Å; R367-N370 CarbonylContact O-C 3.51Å; R367-N370 PolarHBondContact O-N 3.24Å; R367-G371 PolarHBondContact O-N 2.73Å; R367-E372 HydrophobicContact CB-CB 4.05Å; R367-E372 HydrophobicContact CG-CB 4.01Å; R367-E372 PolarHBondContact O-N 3.06Å; R367-S373 PolarHBondContact NH1-O 2.89Å; R367-M374 HydrophobicContact CB-SD 3.65Å; R367-M374 HydrophobicContact CG-SD 4.39Å
368	I	94.4	Very high	91.7	Very high	39 Å²	39	45.4 Å²	45.4	20%	0.2	25%	0.246	C	C	.	.	H	α-helix	trans	-61.3	-43.8	178.9	-69.1	168.3	0	0	0	110.6	F90 I160 D178 A364 I365 N370 G371 M374	F90-I368 HydrophobicContact CE1-CB 4.47Å; F90-I368 HydrophobicContact CE1-CG2 4.24Å; F90-I368 HydrophobicContact CZ-CG2 4.32Å; I160-I368 HydrophobicContact CD1-CD1 3.38Å; I160-I368 HydrophobicContact CG1-CD1 3.56Å; D178-I368 VanDerWaalsContact OD2-CD1 3.26Å; D178-I368 WeakPolarHBondContact OD2-CD1 3.43Å; A364-I368 WeakPolarHBondContact O-CG1 3.17Å; A364-I368 PolarHBondContact O-N 3.45Å; I365-I368 PolarHBondContact O-N 2.82Å; I368-N370 VanDerWaalsContact C-N 3.31Å; I368-N370 PolarHBondContact O-N 2.7Å; I368-G371 PolarHBondContact O-N 2.72Å; I368-M374 HydrophobicContact CG1-SD 4.32Å
369	H	93.9	Very high	90	Very high	59 Å²	59	54.4 Å²	54.4	27%	0.273	28%	0.28	S	S	.	.	H	α-helix	trans	-61.4	-39.1	177.7	-175.4	74.2	0	0	0	112.7	Y37 F90 I365 R367	Y37-H369 HydrophobicContact CD1-CB 4.11Å; Y37-H369 AromaticContact CD1-CD2 3.75Å; Y37-H369 AromaticContact CD1-CG 3.74Å; Y37-H369 HydrophobicContact CE1-CB 3.65Å; Y37-H369 AromaticContact CE1-CD2 3.26Å; Y37-H369 WeakPolarHBondContact CE1-CD2 3.39Å; Y37-H369 AromaticContact CE1-CG 3.48Å; Y37-H369 VanDerWaalsContact CE1-CG 3.48Å; F90-H369 HydrophobicContact CE2-CB 4.28Å; F90-H369 HydrophobicContact CZ-CB 4.11Å; I365-H369 WeakPolarHBondContact O-CB 3.28Å; I365-H369 PolarHBondContact O-N 3.29Å; R367-H369 VanDerWaalsContact C-N 3.32Å; R367-H369 PolarHBondContact O-N 3.47Å
370	N	93.4	Very high	88.3	Confident	80 Å²	80	57.2 Å²	57.2	43%	0.428	30%	0.295	S	S	.	.	H	α-helix	trans	-87.4	-2.7	-178.7	-67.8	-11.4	0	0	0	114	R366 R367 I368 E372	R366-N370 PolarHBondContact NH1-ND2 3.22Å; R366-N370 WeakPolarHBondContact O-CB 3.44Å; R366-N370 VanDerWaalsContact O-CG 3.31Å; R366-N370 PolarHBondContact O-N 3.23Å; R366-N370 VanDerWaalsContact O-N 3.12Å; R366-N370 PolarHBondContact O-ND2 2.87Å; R367-N370 CarbonylContact O-C 3.51Å; R367-N370 PolarHBondContact O-N 3.24Å; I368-N370 VanDerWaalsContact C-N 3.31Å; I368-N370 PolarHBondContact O-N 2.7Å; N370-E372 HydrophobicContact CB-CG 3.82Å; N370-E372 VanDerWaalsContact CB-OE1 3.31Å; N370-E372 WeakPolarHBondContact CB-OE1 3.26Å; N370-E372 PolarHBondContact ND2-OE1 2.64Å; N370-E372 PolarHBondContact O-N 2.79Å
371	G	91.8	Very high	86.8	Confident	71 Å²	71	58.4 Å²	58.4	73%	0.732	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	24.1	-173	0	0	0	0	0	114	R367 I368	R367-G371 PolarHBondContact O-N 2.73Å; I368-G371 PolarHBondContact O-N 2.72Å
372	E	92.7	Very high	85	Confident	68 Å²	68	60.6 Å²	60.6	32%	0.318	32%	0.315	S	S	.	.			trans	-81.6	153.6	179.2	-66.5	171.2	-146.4	0	0	111.6	R366 R367 N370 M374	R366-E372 IonicContact CZ-OE1 2.69Å; R366-E372 IonicContact CZ-OE2 3.98Å; R366-E372 VanDerWaalsContact NH1-CD 3.3Å; R366-E372 IonicContact NH1-OE1 3.87Å; R366-E372 PolarHBondContact NH1-OE1 2.69Å; R366-E372 IonicContact NH1-OE2 3.49Å; R366-E372 PolarHBondContact NH1-OE2 3.16Å; R366-E372 VanDerWaalsContact NH1-OE2 3.12Å; R366-E372 IonicContact NH2-OE1 3.08Å; R366-E372 IonicContact NH2-OE2 2.76Å; R366-E372 PolarHBondContact NH2-OE2 3.31Å; R367-E372 HydrophobicContact CB-CB 4.05Å; R367-E372 HydrophobicContact CG-CB 4.01Å; R367-E372 PolarHBondContact O-N 3.06Å; N370-E372 HydrophobicContact CB-CG 3.82Å; N370-E372 VanDerWaalsContact CB-OE1 3.31Å; N370-E372 WeakPolarHBondContact CB-OE1 3.26Å; N370-E372 PolarHBondContact ND2-OE1 2.64Å; N370-E372 PolarHBondContact O-N 2.79Å; E372-M374 PolarHBondContact O-N 3.07Å
373	S	91	Very high	83.3	Confident	80 Å²	80	65.6 Å²	65.6	56%	0.559	35%	0.345	S	S	*	.			trans	-65.6	133.4	177.3	-176.9	0	0	0	0	112.1	R367 A375	R367-S373 PolarHBondContact NH1-O 2.89Å; S373-A375 VanDerWaalsContact C-N 3.27Å; S373-A375 PolarHBondContact O-N 2.77Å; S373-A375 VanDerWaalsContact OG-CB 3.32Å; S373-A375 WeakPolarHBondContact OG-CB 3.45Å; S373-A375 PolarHBondContact OG-N 3.33Å
374	M	89.8	Confident	81.4	Confident	23 Å²	23	66.7 Å²	66.7	11%	0.113	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-10.2	171.7	-68.7	-65.4	-81.3	0	0	113.3	D178 L180 A364 R367 I368 E372 Y376 L377 F378	D178-M374 HydrophobicContact CB-CE 4.13Å; L180-M374 HydrophobicContact CD2-CE 3.74Å; A364-M374 HydrophobicContact CB-CE 3.64Å; A364-M374 HydrophobicContact CB-SD 4.48Å; R367-M374 HydrophobicContact CB-SD 3.65Å; R367-M374 HydrophobicContact CG-SD 4.39Å; I368-M374 HydrophobicContact CG1-SD 4.32Å; E372-M374 PolarHBondContact O-N 3.07Å; M374-Y376 PolarHBondContact O-N 2.87Å; M374-L377 HydrophobicContact CE-CD1 3.66Å; M374-L377 WeakPolarHBondContact O-CB 2.95Å; M374-L377 PolarHBondContact O-N 3.19Å; M374-L377 HydrophobicContact SD-CD1 3.99Å; M374-F378 HydrophobicContact CB-CD2 4.48Å; M374-F378 HydrophobicContact CB-CE2 4.14Å; M374-F378 VanDerWaalsContact O-CD2 3.3Å; M374-F378 WeakPolarHBondContact O-CD2 3.42Å
375	A	82.7	Confident	79.5	Confident	51 Å²	51	67.3 Å²	67.3	42%	0.421	36%	0.356	S	S	.	.	H	α-helix	trans	-56.3	-28.9	-173.8	0	0	0	0	0	113.8	S373 L377 F378 R379	S373-A375 VanDerWaalsContact C-N 3.27Å; S373-A375 PolarHBondContact O-N 2.77Å; S373-A375 VanDerWaalsContact OG-CB 3.32Å; S373-A375 WeakPolarHBondContact OG-CB 3.45Å; S373-A375 PolarHBondContact OG-N 3.33Å; A375-L377 VanDerWaalsContact C-N 3.28Å; A375-L377 PolarHBondContact O-N 3.06Å; A375-F378 CarbonylContact O-C 3.6Å; A375-F378 PolarHBondContact O-N 2.93Å; A375-R379 PolarHBondContact O-N 3.2Å
376	Y	78.7	Confident	78.7	Confident	149 Å²	149	70.7 Å²	70.7	58%	0.584	37%	0.374	S	S	*	.	H	α-helix	trans	-61.5	-36.8	176.9	-172.3	-96.5	0	0	0	112.6	M374 F378 R379	M374-Y376 PolarHBondContact O-N 2.87Å; Y376-F378 PolarHBondContact O-N 2.87Å; Y376-R379 PolarHBondContact O-N 3.17Å
377	L	81.8	Confident	77.8	Confident	26 Å²	26	71.2 Å²	71.2	14%	0.136	38%	0.381	C	S	.	.	H	α-helix	trans	-70.6	-13.2	177.3	-59.4	-178.5	0	0	0	112.4	L180 I360 E363 A364 M374 A375 I381	L180-L377 HydrophobicContact CD2-CD1 4.07Å; I360-L377 HydrophobicContact CG1-CD2 4.35Å; E363-L377 HydrophobicContact CB-CD2 4.42Å; E363-L377 HydrophobicContact CG-CD2 3.86Å; A364-L377 HydrophobicContact CB-CD1 4.05Å; M374-L377 HydrophobicContact CE-CD1 3.66Å; M374-L377 WeakPolarHBondContact O-CB 2.95Å; M374-L377 PolarHBondContact O-N 3.19Å; M374-L377 HydrophobicContact SD-CD1 3.99Å; A375-L377 VanDerWaalsContact C-N 3.28Å; A375-L377 PolarHBondContact O-N 3.06Å; L377-I381 WeakPolarHBondContact O-CD1 3.31Å
378	F	75.6	Confident	76.8	Confident	66 Å²	66	73.3 Å²	73.3	29%	0.289	40%	0.395	S	S	.	.	H	α-helix	trans	-112.4	-3.4	-178.9	-61.9	-75.2	0	0	0	114.6	N179 L180 M374 A375 Y376 N380 I381	N179-F378 VanDerWaalsContact O-CE1 3.25Å; N179-F378 WeakPolarHBondContact O-CE1 3.42Å; L180-F378 HydrophobicContact CD2-CZ 4.07Å; M374-F378 HydrophobicContact CB-CD2 4.48Å; M374-F378 HydrophobicContact CB-CE2 4.14Å; M374-F378 VanDerWaalsContact O-CD2 3.3Å; M374-F378 WeakPolarHBondContact O-CD2 3.42Å; A375-F378 CarbonylContact O-C 3.6Å; A375-F378 PolarHBondContact O-N 2.93Å; Y376-F378 PolarHBondContact O-N 2.87Å; F378-N380 PolarHBondContact O-N 3.26Å; F378-I381 HydrophobicContact CD1-CD1 4.03Å; F378-I381 WeakPolarHBondContact O-CB 3.4Å; F378-I381 PolarHBondContact O-N 3.37Å; F378-I381 VanDerWaalsContact O-N 3.1Å
379	R	61.5	Low	75.8	Confident	189 Å²	189	75.4 Å²	75.4	71%	0.713	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-22.5	-167.8	-101.9	-178.9	177.7	-180	-1.1	115.7	A375 Y376	A375-R379 PolarHBondContact O-N 3.2Å; Y376-R379 PolarHBondContact O-N 3.17Å
380	N	58.7	Low	74.7	Confident	144 Å²	144	76.4 Å²	76.4	77%	0.77	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.1	27.4	-179.8	-65.9	-23.4	0	0	0	112.4	F378	F378-N380 PolarHBondContact O-N 3.26Å
381	I	64	Low	73.4	Confident	34 Å²	34	76.1 Å²	76.1	17%	0.174	41%	0.414	C	S	.	.			trans	-112.8	123.3	-175.6	-56	-170.9	0	0	0	108.7	R181 P184 L377 F378 D385	R181-I381 HydrophobicContact CB-CD1 3.65Å; R181-I381 HydrophobicContact CB-CG2 4.49Å; R181-I381 HydrophobicContact CG-CD1 3.54Å; R181-I381 HydrophobicContact CG-CG1 4.49Å; R181-I381 HydrophobicContact CG-CG2 3.6Å; P184-I381 HydrophobicContact CG-CD1 4.32Å; P184-I381 HydrophobicContact CG-CG1 4.43Å; L377-I381 WeakPolarHBondContact O-CD1 3.31Å; F378-I381 HydrophobicContact CD1-CD1 4.03Å; F378-I381 WeakPolarHBondContact O-CB 3.4Å; F378-I381 PolarHBondContact O-N 3.37Å; F378-I381 VanDerWaalsContact O-N 3.1Å; I381-D385 HydrophobicContact CG2-CB 4.11Å
382	T	60.7	Low	72.1	Confident	46 Å²	46	76.5 Å²	76.5	28%	0.282	39%	0.392	S	S	.	.			trans	-74.5	156.2	173.5	64.1	0	0	0	0	110.8	S215 R219 D384 D385	S215-T382 PolarHBondContact OG-OG1 3.38Å; R219-T382 PolarHBondContact NH2-OG1 3.16Å; T382-D384 PolarHBondContact O-N 2.95Å; T382-D385 PolarHBondContact O-N 3.25Å
383	V	59.2	Low	70.5	Confident	112 Å²	112	77.2 Å²	77.2	68%	0.679	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-20	-177.9	178.6	0	0	0	0	112.7	K167	K167-V383 PolarHBondContact NZ-O 3.07Å
384	D	55.1	Low	68.8	Low	69 Å²	69	76.9 Å²	76.9	37%	0.369	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	3	-172.8	-63.6	-51.2	0	0	0	114.6	K167 K211 T382	K167-D384 IonicContact NZ-OD1 3.54Å; K211-D384 CarbonylContact C-O 3.5Å; K211-D384 HydrophobicContact CB-CB 4.41Å; T382-D384 PolarHBondContact O-N 2.95Å
385	D	57.8	Low	66.9	Low	14 Å²	14	81.8 Å²	81.8	8%	0.075	41%	0.409	C	S	.	.			trans	-58.1	0	167.2	-108.4	7.3	0	0	0	113.5	R181 S183 S215 R219 I381 T382	R181-D385 VanDerWaalsContact CZ-C 3.42Å; R181-D385 PolarHBondContact NH1-O 2.66Å; R181-D385 PolarHBondContact NH1-OXT 3.22Å; R181-D385 PolarHBondContact NH2-O 3.06Å; S183-D385 VanDerWaalsContact CB-OD2 3.28Å; S183-D385 WeakPolarHBondContact CB-OD2 3.42Å; S183-D385 PolarHBondContact OG-OD2 3.17Å; S215-D385 VanDerWaalsContact CB-OD1 3.25Å; S215-D385 WeakPolarHBondContact CB-OD1 3.42Å; S215-D385 PolarHBondContact OG-OD1 3.25Å; R219-D385 IonicContact CZ-OD1 3.61Å; R219-D385 IonicContact CZ-OD2 2.83Å; R219-D385 IonicContact NH1-OD1 3.75Å; R219-D385 IonicContact NH1-OD2 2.76Å; R219-D385 PolarHBondContact NH1-OD2 2.96Å; R219-D385 IonicContact NH2-OD1 2.76Å; R219-D385 PolarHBondContact NH2-OD1 3.48Å; R219-D385 IonicContact NH2-OD2 3.54Å; R219-D385 PolarHBondContact NH2-OD2 3.25Å; I381-D385 HydrophobicContact CG2-CB 4.11Å; T382-D385 PolarHBondContact O-N 3.25Å

Retrieved 385 of 385 residues in 472 ms (Link to these results)

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