A0A061IPM6_CRIGR Loading...

Decapping nuclease

Decapping enzyme for NAD-capped RNAs: specifically hydrolyzes the nicotinamide adenine dinucleotide (NAD) cap from a subset of RNAs by removing the entire NAD moiety from the 5'-end of an NAD-capped RNA.

AlphaFold DB , UniProt , Accession A0A061IPM6, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Dxo, Length 400 aa.

Structure Viewer

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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	37.3	Very low	37.6	Very low	249 Å²	249	172.1 Å²	172.1	100%	1.227	89%	0.889	S	S	*	*				0	124.3	0	-81.9	180	-176.3	0	0	107.4
2	E	41.9	Very low	37.2	Very low	175 Å²	175	163.8 Å²	163.8	82%	0.818	88%	0.877	S	S	*	*			trans	-69.5	165.3	-171.1	-126.5	-175.3	-140.5	0	0	112.8
3	P	49.9	Very low	36.9	Very low	110 Å²	110	162.4 Å²	162.4	71%	0.714	88%	0.879	S	S	*	*				-154.1	149.5	81	37.2	-15.7	0	0	0	119.5
4	R	36.1	Very low	36.7	Very low	229 Å²	229	164.5 Å²	164.5	86%	0.864	88%	0.88	S	S	*	*			trans	59.3	129.5	131.3	-64.9	-179.7	179.3	-164.3	-0.5	122.7
5	G	31.9	Very low	36.8	Very low	82 Å²	82	159.5 Å²	159.5	85%	0.845	87%	0.87	S	S	*	*			trans	-170.9	92.2	149	0	0	0	0	0	113.3
6	T	37.6	Very low	36.7	Very low	135 Å²	135	157.1 Å²	157.1	83%	0.828	87%	0.865	S	S	*	*			trans	-90	132.7	177.2	-21.9	0	0	0	0	110.8
7	K	36	Very low	36.6	Very low	212 Å²	212	156.2 Å²	156.2	92%	0.922	87%	0.865	S	S	*	*			trans	-142.6	117.1	158	-87.2	-173.2	178.6	173.4	0	111.2
8	R	41	Very low	36.6	Very low	244 Å²	244	160.8 Å²	160.8	92%	0.921	87%	0.868	S	S	*	*			trans	-69.3	144.4	164.1	-78.8	177.3	165.9	-167.1	-4.2	110
9	R	34.1	Very low	36.6	Very low	252 Å²	252	161.9 Å²	161.9	95%	0.951	87%	0.866	S	S	*	*			trans	-145.7	148	153.6	-114.5	-178.5	-179.1	-138.5	0.1	112.2
10	A	33.2	Very low	36.5	Very low	98 Å²	98	160 Å²	160	81%	0.81	86%	0.863	S	S	*	*			trans	-63	150	-162.6	0	0	0	0	0	116
11	A	34.8	Very low	36.4	Very low	107 Å²	107	164.2 Å²	164.2	88%	0.884	87%	0.867	S	S	*	*			trans	-74.1	124.9	162	0	0	0	0	0	109.7
12	G	32.6	Very low	36.4	Very low	72 Å²	72	157.4 Å²	157.4	74%	0.742	84%	0.844	S	S	*	*			trans	-110.6	128.2	169.9	0	0	0	0	0	109.3
13	T	33.8	Very low	36.4	Very low	146 Å²	146	158.6 Å²	158.6	90%	0.896	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-75.4	118.9	-178.9	-37.4	0	0	0	0	110.1
14	E	34.2	Very low	35.8	Very low	192 Å²	192	164.2 Å²	164.2	90%	0.897	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-80.5	122.6	170	-80.3	-179	155	0	0	110.1
15	A	37.4	Very low	35.8	Very low	89 Å²	89	159 Å²	159	74%	0.736	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-89.7	140.9	168.7	0	0	0	0	0	109.6	T17	A15-T17 PolarHBondContact O-N 3.09Å
16	P	35.8	Very low	36.3	Very low	122 Å²	122	166.3 Å²	166.3	79%	0.792	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-71.7	126.8	-177.1	29.8	-34.2	0	0	0	110.6	R18	P16-R18 PolarHBondContact O-N 3.22Å
17	T	34.9	Very low	36.6	Very low	141 Å²	141	165.5 Å²	165.5	87%	0.865	85%	0.849	S	S	*	*			trans	-59.8	114.5	171.7	24.9	0	0	0	0	110.2	A15 E19	A15-T17 PolarHBondContact O-N 3.09Å; T17-E19 PolarHBondContact O-N 2.88Å
18	R	35.9	Very low	37.4	Very low	240 Å²	240	160 Å²	160	91%	0.906	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-70.8	119.8	168.7	-76	-177.1	171.4	-169.3	-2.5	109	P16	P16-R18 PolarHBondContact O-N 3.22Å
19	E	36.9	Very low	38.5	Very low	181 Å²	181	154.8 Å²	154.8	85%	0.846	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-56.7	141.2	167.6	-71.5	-168.9	156	0	0	110.6	T17 W21	T17-E19 PolarHBondContact O-N 2.88Å; E19-W21 PolarHBondContact O-N 2.95Å
20	P	35.7	Very low	40.9	Very low	123 Å²	123	145.7 Å²	145.7	80%	0.799	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-68.6	125.1	175.7	-8.2	23.4	0	0	0	109.1	S22	P20-S22 PolarHBondContact O-N 3.29Å
21	W	33.8	Very low	44	Very low	249 Å²	249	144.1 Å²	144.1	94%	0.943	79%	0.794	S	S	*	*			trans	-45.1	115.5	166.9	-99.2	-47.2	0	0	0	109.8	E19 K23	E19-W21 PolarHBondContact O-N 2.95Å; W21-K23 PolarHBondContact O-N 3.19Å
22	S	37.7	Very low	47	Very low	107 Å²	107	140.1 Å²	140.1	75%	0.748	76%	0.757	S	S	*	*			trans	-53.6	108.6	168.7	45.6	0	0	0	0	108.4	P20 R24	P20-S22 PolarHBondContact O-N 3.29Å; S22-R24 VanDerWaalsContact C-N 3.35Å; S22-R24 PolarHBondContact O-N 2.97Å
23	K	42.1	Very low	50.1	Low	200 Å²	200	143.6 Å²	143.6	87%	0.87	75%	0.748	S	S	*	*			trans	-60.1	102.1	168.9	-72.6	-178.6	-179.3	176.5	0	106.4	W21	W21-K23 PolarHBondContact O-N 3.19Å
24	R	36.1	Very low	53.2	Low	228 Å²	228	137.1 Å²	137.1	86%	0.86	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-49.5	125.8	163.1	-75.3	-175.5	176.1	-171.1	-0.9	106.7	S22 R26	S22-R24 VanDerWaalsContact C-N 3.35Å; S22-R24 PolarHBondContact O-N 2.97Å; R24-R26 PolarHBondContact O-N 3.04Å; R24-R26 VanDerWaalsContact O-N 3.15Å
25	P	36	Very low	56.3	Low	120 Å²	120	131.8 Å²	131.8	78%	0.779	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-57.1	126.3	175.9	21.4	-29	0	0	0	107.4
26	R	42.2	Very low	59.2	Low	234 Å²	234	129.6 Å²	129.6	88%	0.883	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-51.5	133	166.8	-74.5	-179.3	175.3	-174.2	-2.3	106.3	R24 A28	R24-R26 PolarHBondContact O-N 3.04Å; R24-R26 VanDerWaalsContact O-N 3.15Å; R26-A28 PolarHBondContact O-N 3.33Å
27	P	44.6	Very low	62.2	Low	119 Å²	119	127.9 Å²	127.9	77%	0.773	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-52.7	125.4	173.5	19.3	-27.7	0	0	0	107.1	L29	P27-L29 PolarHBondContact O-N 3.45Å
28	A	52.8	Low	65.2	Low	95 Å²	95	124.7 Å²	124.7	79%	0.785	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-52.5	121.1	177	0	0	0	0	0	106.9	R26 A30	R26-A28 PolarHBondContact O-N 3.33Å; A28-A30 PolarHBondContact O-N 2.69Å; A28-A30 VanDerWaalsContact O-N 3.08Å
29	L	63.2	Low	68.2	Low	135 Å²	135	114.5 Å²	114.5	71%	0.707	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-53.7	121.5	174.7	-89.3	142.3	0	0	0	107.2	P27 S31 V366	P27-L29 PolarHBondContact O-N 3.45Å; L29-S31 PolarHBondContact O-N 2.67Å; L29-V366 WeakPolarHBondContact CD2-O 3.46Å
30	A	86.3	Confident	71.1	Confident	61 Å²	61	109.4 Å²	109.4	50%	0.504	58%	0.582	S	S	.	*	P	Polyproline II helix	trans	-58.6	138.5	-179.2	0	0	0	0	0	109.1	A28 F340	A28-A30 PolarHBondContact O-N 2.69Å; A28-A30 VanDerWaalsContact O-N 3.08Å; A30-F340 HydrophobicContact CB-CE2 3.79Å; A30-F340 HydrophobicContact CB-CZ 4.27Å
31	S	96.5	Very high	74.1	Confident	66 Å²	66	105.3 Å²	105.3	46%	0.462	56%	0.561	S	S	.	*			trans	-137.6	157.3	-179.7	61.3	0	0	0	0	110.3	L29 V364	L29-S31 PolarHBondContact O-N 2.67Å; S31-V364 CarbonylContact C-O 3.58Å; S31-V364 WeakPolarHBondContact CA-O 3.37Å; S31-V364 VanDerWaalsContact CB-O 3.28Å; S31-V364 WeakPolarHBondContact CB-O 3.38Å
32	L	98.5	Very high	77.2	Confident	22 Å²	22	99 Å²	99	12%	0.115	55%	0.553	C	S	.	*	B	Isolated β-bridge	trans	-122	116	-179.9	179.6	70.8	0	0	0	110.4	Y39 F333 A336 F337 F340 P363 V364	L32-Y39 WeakPolarHBondContact CD1-OH 3.32Å; L32-F333 HydrophobicContact CD2-CE2 3.96Å; L32-F333 HydrophobicContact CD2-CZ 4.49Å; L32-F333 HydrophobicContact CG-CE2 4.36Å; L32-A336 HydrophobicContact CD1-CB 4.35Å; L32-F337 VanDerWaalsContact CD2-CA 3.49Å; L32-F337 HydrophobicContact CD2-CB 3.87Å; L32-F337 HydrophobicContact CD2-CD2 4.15Å; L32-F337 HydrophobicContact CD2-CG 4.5Å; L32-F340 HydrophobicContact CB-CD1 3.75Å; L32-F340 HydrophobicContact CB-CE1 3.98Å; L32-F340 HydrophobicContact CB-CG 4.09Å; L32-F340 HydrophobicContact CD2-CB 4.13Å; L32-F340 HydrophobicContact CD2-CD1 4.15Å; L32-F340 HydrophobicContact CD2-CG 4.38Å; L32-P363 CarbonylContact O-C 3.59Å; L32-P363 WeakPolarHBondContact O-CA 3.36Å; L32-P363 WeakPolarHBondContact O-CB 3.28Å; L32-V364 HydrophobicContact CB-CB 4.12Å; L32-V364 HydrophobicContact CB-CG2 4.38Å; L32-V364 PolarHBondContact N-O 2.63Å; L32-V364 PolarHBondContact O-N 3.28Å
33	R	98.6	Very high	80.1	Confident	146 Å²	146	98 Å²	98	55%	0.551	54%	0.535	S	S	*	.			trans	-68.1	152	177.1	-74.6	-171.2	-63.3	172.8	2.4	112.4	E35 L38 Y39	R33-E35 WeakPolarHBondContact CB-OE2 3.36Å; R33-L38 HydrophobicContact CB-CD1 3.46Å; R33-L38 VanDerWaalsContact CB-CD1 3.46Å; R33-L38 HydrophobicContact CG-CD1 4.39Å; R33-Y39 WeakPolarHBondContact O-CE2 3.38Å; R33-Y39 PolarHBondContact O-OH 3.22Å
34	T	98.8	Very high	82.8	Confident	9 Å²	9	89.5 Å²	89.5	6%	0.055	50%	0.5	C	S	.	.			trans	-124.4	5.4	-171	67.7	0	0	0	0	114.2	T144 P145 F333 W358 G362 V364	T34-T144 HydrophobicContact CG2-CG2 3.9Å; T34-P145 WeakPolarHBondContact O-CA 3.27Å; T34-P145 WeakPolarHBondContact O-CB 3.26Å; T34-F333 HydrophobicContact CG2-CE2 3.61Å; T34-F333 HydrophobicContact CG2-CZ 3.94Å; T34-W358 VanDerWaalsContact CG2-NE1 3.29Å; T34-W358 PolarHBondContact OG1-NE1 3.45Å; T34-G362 PolarHBondContact OG1-O 3.16Å; T34-V364 HydrophobicContact CG2-CG2 3.92Å
35	E	98.7	Very high	85.8	Confident	80 Å²	80	83.5 Å²	83.5	37%	0.374	48%	0.481	S	S	.	.			trans	-66.1	133.1	-177.3	-58.5	78.5	-164.7	0	0	111.3	R33 A37 L38 Y39	R33-E35 WeakPolarHBondContact CB-OE2 3.36Å; E35-A37 PolarHBondContact O-N 3.04Å; E35-L38 HydrophobicContact CB-CG 4.48Å; E35-L38 WeakPolarHBondContact O-CB 3.11Å; E35-L38 PolarHBondContact O-N 2.84Å; E35-L38 VanDerWaalsContact OE2-CD1 3.22Å; E35-L38 WeakPolarHBondContact OE2-CD1 3.46Å; E35-Y39 WeakPolarHBondContact O-CD2 3.39Å
36	P	98.6	Very high	88.7	Confident	43 Å²	43	79.1 Å²	79.1	28%	0.279	45%	0.449	S	S	.	.	G	3₁₀ helix	trans	-49.9	-38.1	-179.8	-33.5	37.3	0	0	0	114.7	L38 Y39 S40 P145 Y146 V329	P36-L38 PolarHBondContact O-N 3.46Å; P36-L38 VanDerWaalsContact O-N 3.12Å; P36-Y39 PolarHBondContact O-N 2.98Å; P36-S40 PolarHBondContact O-N 2.87Å; P36-S40 PolarHBondContact O-OG 2.67Å; P36-P145 WeakPolarHBondContact CD-O 3.44Å; P36-P145 HydrophobicContact CG-CB 3.96Å; P36-P145 WeakPolarHBondContact CG-O 3.38Å; P36-Y146 HydrophobicContact CB-CE1 4.17Å; P36-Y146 HydrophobicContact CG-CD1 4.2Å; P36-Y146 HydrophobicContact CG-CE1 3.92Å; P36-V329 HydrophobicContact CB-CG1 3.92Å
37	A	98.1	Very high	91.4	Very high	86 Å²	86	71.5 Å²	71.5	71%	0.711	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-59.1	-25.1	-177.6	0	0	0	0	0	113.8	E35 Y39	E35-A37 PolarHBondContact O-N 3.04Å; A37-Y39 VanDerWaalsContact C-N 3.26Å; A37-Y39 PolarHBondContact O-N 3.45Å
38	L	98.6	Very high	94	Very high	75 Å²	75	74.9 Å²	74.9	39%	0.393	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-76	-15.1	177.8	-61.3	177.8	0	0	0	113.1	R33 E35 P36	R33-L38 HydrophobicContact CB-CD1 3.46Å; R33-L38 VanDerWaalsContact CB-CD1 3.46Å; R33-L38 HydrophobicContact CG-CD1 4.39Å; E35-L38 HydrophobicContact CB-CG 4.48Å; E35-L38 WeakPolarHBondContact O-CB 3.11Å; E35-L38 PolarHBondContact O-N 2.84Å; E35-L38 VanDerWaalsContact OE2-CD1 3.22Å; E35-L38 WeakPolarHBondContact OE2-CD1 3.46Å; P36-L38 PolarHBondContact O-N 3.46Å; P36-L38 VanDerWaalsContact O-N 3.12Å
39	Y	98.8	Very high	96.1	Very high	25 Å²	25	70.8 Å²	70.8	10%	0.098	38%	0.383	C	S	.	.	S	Bend	trans	-124.2	10.2	-168.7	-57.7	-70.4	0	0	0	113.3	L32 R33 E35 P36 A37 G41 V329 N332 F333 A336	L32-Y39 WeakPolarHBondContact CD1-OH 3.32Å; R33-Y39 WeakPolarHBondContact O-CE2 3.38Å; R33-Y39 PolarHBondContact O-OH 3.22Å; E35-Y39 WeakPolarHBondContact O-CD2 3.39Å; P36-Y39 PolarHBondContact O-N 2.98Å; A37-Y39 VanDerWaalsContact C-N 3.26Å; A37-Y39 PolarHBondContact O-N 3.45Å; Y39-G41 PolarHBondContact O-N 3.4Å; Y39-V329 WeakPolarHBondContact O-CA 3.38Å; Y39-N332 HydrophobicContact CD1-CB 4.21Å; Y39-N332 PolarHBondContact O-ND2 2.96Å; Y39-F333 HydrophobicContact CD1-CB 4.24Å; Y39-F333 HydrophobicContact CD2-CB 3.98Å; Y39-F333 HydrophobicContact CD2-CD2 4.23Å; Y39-F333 HydrophobicContact CE1-CB 4.45Å; Y39-F333 HydrophobicContact CE1-CD2 4.4Å; Y39-F333 HydrophobicContact CE2-CB 4.21Å; Y39-F333 AromaticContact CE2-CD2 3.63Å; Y39-F333 HydrophobicContact CE2-CD2 3.63Å; Y39-F333 HydrophobicContact CE2-CG 4.38Å; Y39-F333 HydrophobicContact CG-CB 4Å; Y39-F333 AromaticContact CZ-CD2 3.72Å; Y39-A336 HydrophobicContact CD1-CB 4.43Å; Y39-A336 HydrophobicContact CE1-CB 3.59Å
40	S	97.8	Very high	97.8	Very high	75 Å²	75	66.1 Å²	66.1	52%	0.524	36%	0.361	S	S	.	.			trans	-71.9	12.1	-178.5	-56	0	0	0	0	115.4	P36	P36-S40 PolarHBondContact O-N 2.87Å; P36-S40 PolarHBondContact O-OG 2.67Å
41	G	98.1	Very high	98.4	Very high	36 Å²	36	65.6 Å²	65.6	37%	0.371	35%	0.348	S	S	.	.	S	Bend	trans	-68.4	-175.6	177.6	0	0	0	0	0	113.5	Y39 S328 N332	Y39-G41 PolarHBondContact O-N 3.4Å; G41-S328 WeakPolarHBondContact O-CB 3.46Å; G41-N332 PolarHBondContact O-ND2 3.49Å
42	P	98.6	Very high	98.5	Very high	118 Å²	118	64.2 Å²	64.2	77%	0.766	34%	0.336	S	S	*	.	S	Bend	trans	-53.5	153.6	174.7	-24.9	34.7	0	0	0	112.6	N332	P42-N332 PolarHBondContact O-ND2 3.47Å
43	F	98.7	Very high	98.5	Very high	86 Å²	86	64 Å²	64	38%	0.377	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-62.2	125.4	174.5	-169.2	-90.8	0	0	0	109.3	F285 P327 S328 M331	F43-F285 HydrophobicContact CE1-CZ 4.23Å; F43-F285 AromaticContact CZ-CE1 3.97Å; F43-F285 HydrophobicContact CZ-CE1 3.97Å; F43-F285 HydrophobicContact CZ-CE2 4.42Å; F43-F285 AromaticContact CZ-CZ 3.56Å; F43-F285 HydrophobicContact CZ-CZ 3.56Å; F43-P327 HydrophobicContact CD2-CB 4.09Å; F43-P327 HydrophobicContact CE2-CB 3.81Å; F43-S328 WeakPolarHBondContact CA-OG 3.36Å; F43-S328 WeakPolarHBondContact CB-OG 3.42Å; F43-S328 PolarHBondContact N-OG 3.23Å; F43-M331 HydrophobicContact CD2-CG 4.49Å; F43-M331 HydrophobicContact CE2-CB 4.23Å; F43-M331 HydrophobicContact CE2-CG 3.55Å; F43-M331 HydrophobicContact CZ-CB 4.41Å; F43-M331 HydrophobicContact CZ-CG 3.65Å
44	P	98.8	Very high	98.5	Very high	21 Å²	21	58.3 Å²	58.3	14%	0.136	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-73.4	161.2	-176.2	31.5	-34.6	0	0	0	110.7	Y46 L227 M331 N332	P44-Y46 PolarHBondContact O-N 3.22Å; P44-L227 HydrophobicContact CB-CD1 4.25Å; P44-L227 HydrophobicContact CG-CD1 3.87Å; P44-M331 HydrophobicContact CG-CB 3.47Å; P44-M331 VanDerWaalsContact CG-CB 3.47Å; P44-N332 WeakPolarHBondContact CB-OD1 3.33Å; P44-N332 VanDerWaalsContact CD-OD1 3.29Å; P44-N332 WeakPolarHBondContact CD-OD1 3.44Å; P44-N332 WeakPolarHBondContact CG-OD1 3.34Å
45	F	98.8	Very high	98.5	Very high	102 Å²	102	57.9 Å²	57.9	45%	0.447	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-58	125.7	171.8	174.5	-90.3	0	0	0	110.4	R47 R226 G228	F45-R47 HydrophobicContact CE1-CB 3.76Å; F45-R47 HydrophobicContact CZ-CB 3.83Å; F45-R47 HydrophobicContact CZ-CG 4.34Å; F45-R226 VanDerWaalsContact CD1-NH1 3.29Å; F45-R226 HydrophobicContact CE1-CB 4.36Å; F45-R226 HydrophobicContact CE1-CG 4.3Å; F45-R226 VanDerWaalsContact CE1-NH1 3.3Å; F45-G228 PolarHBondContact O-N 3.18Å
46	Y	98.8	Very high	98.5	Very high	28 Å²	28	54.1 Å²	54.1	11%	0.11	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-127.8	117.3	167.7	-169.4	-117	0	0	0	108.8	P44 R48 P49 S225 R226 L227 L232 F285 L286 M331	P44-Y46 PolarHBondContact O-N 3.22Å; Y46-R48 PolarHBondContact O-N 2.84Å; Y46-P49 HydrophobicContact CE1-CG 4.13Å; Y46-S225 WeakPolarHBondContact CE2-OG 3.47Å; Y46-R226 CarbonylContact C-O 3.48Å; Y46-R226 WeakPolarHBondContact CA-O 3.34Å; Y46-L227 HydrophobicContact CD2-CB 3.97Å; Y46-L227 HydrophobicContact CD2-CD1 4.15Å; Y46-L227 HydrophobicContact CE2-CB 4.28Å; Y46-L232 HydrophobicContact CE2-CD1 4.25Å; Y46-F285 HydrophobicContact CD1-CD1 4.41Å; Y46-F285 AromaticContact CD1-CE1 3.49Å; Y46-F285 HydrophobicContact CD1-CE1 3.49Å; Y46-F285 VanDerWaalsContact CD1-CE1 3.49Å; Y46-F285 AromaticContact CD1-CZ 3.77Å; Y46-F285 HydrophobicContact CD1-CZ 3.77Å; Y46-F285 HydrophobicContact CE1-CD1 4.33Å; Y46-F285 AromaticContact CE1-CE1 3.84Å; Y46-F285 HydrophobicContact CE1-CE1 3.84Å; Y46-F285 HydrophobicContact CE1-CZ 4.41Å; Y46-F285 HydrophobicContact CG-CE1 4.13Å; Y46-F285 HydrophobicContact CG-CZ 4.47Å; Y46-L286 HydrophobicContact CE2-CD2 4.43Å; Y46-L286 WeakPolarHBondContact OH-CA 3.21Å; Y46-L286 PolarHBondContact OH-O 3.44Å; Y46-M331 HydrophobicContact CD1-CE 4.37Å; Y46-M331 HydrophobicContact CD2-CE 3.53Å; Y46-M331 HydrophobicContact CE2-CE 3.94Å; Y46-M331 HydrophobicContact CG-CE 3.77Å
47	R	98.6	Very high	98.5	Very high	74 Å²	74	52.1 Å²	52.1	28%	0.279	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-64.4	136.3	179.1	-170.3	-174	178.4	-92.7	6.4	108.4	F45 P49 S50 S225 R226	F45-R47 HydrophobicContact CE1-CB 3.76Å; F45-R47 HydrophobicContact CZ-CB 3.83Å; F45-R47 HydrophobicContact CZ-CG 4.34Å; R47-P49 WeakPolarHBondContact O-CD 3.26Å; R47-P49 VanDerWaalsContact O-N 3.15Å; R47-S50 PolarHBondContact NH1-OG 3.06Å; R47-S225 PolarHBondContact O-OG 3.05Å; R47-R226 HydrophobicContact CB-CB 4.03Å; R47-R226 PolarHBondContact N-O 2.83Å
48	R	97.6	Very high	98.6	Very high	189 Å²	189	49.6 Å²	49.6	71%	0.713	26%	0.262	S	S	*	.	P	Polyproline II helix	trans	-50.8	123.3	166.5	177.1	174	156.4	174.7	-5.9	109.2	Y46	Y46-R48 PolarHBondContact O-N 2.84Å
49	P	98.3	Very high	98.5	Very high	10 Å²	10	47.7 Å²	47.7	7%	0.065	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-61.5	142.9	179.4	-23.7	34.5	0	0	0	111.5	Y46 R47 L223 R224 P251 L286	Y46-P49 HydrophobicContact CE1-CG 4.13Å; R47-P49 WeakPolarHBondContact O-CD 3.26Å; R47-P49 VanDerWaalsContact O-N 3.15Å; P49-L223 HydrophobicContact CB-CD2 3.87Å; P49-R224 WeakPolarHBondContact CA-O 3.37Å; P49-P251 HydrophobicContact CB-CG 4.49Å; P49-L286 WeakPolarHBondContact CG-O 3.36Å
50	S	98.1	Very high	98.5	Very high	37 Å²	37	52.6 Å²	52.6	26%	0.259	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	130	171.2	-57.1	0	0	0	0	107.8	R47 L223 R224	R47-S50 PolarHBondContact NH1-OG 3.06Å; S50-L223 CarbonylContact O-C 3.57Å; S50-L223 WeakPolarHBondContact O-CA 3.46Å; S50-R224 PolarHBondContact N-O 3.29Å; S50-R224 PolarHBondContact O-N 2.97Å
51	E	98.7	Very high	98.6	Very high	49 Å²	49	51.3 Å²	51.3	23%	0.229	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	128	171.6	-175.6	172.1	83.4	0	0	109.2	G53 S221 V222 P250 Y254	E51-G53 WeakPolarHBondContact CG-O 3.31Å; E51-S221 VanDerWaalsContact OE2-CB 3.25Å; E51-S221 WeakPolarHBondContact OE2-CB 3.46Å; E51-S221 PolarHBondContact OE2-OG 3.19Å; E51-V222 CarbonylContact C-O 3.57Å; E51-V222 WeakPolarHBondContact CA-O 3.49Å; E51-P250 HydrophobicContact CB-CB 4.11Å; E51-P250 HydrophobicContact CG-CB 4.46Å; E51-P250 WeakPolarHBondContact OE1-CB 3.21Å; E51-P250 WeakPolarHBondContact OE1-CG 3.29Å; E51-Y254 PolarHBondContact OE1-OH 3.16Å; E51-Y254 VanDerWaalsContact OE2-CE2 3.27Å; E51-Y254 WeakPolarHBondContact OE2-CE2 3.4Å; E51-Y254 PolarHBondContact OE2-OH 3.18Å
52	L	98.5	Very high	98.6	Very high	37 Å²	37	55 Å²	55	19%	0.194	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	-23.1	174.9	-61.6	-178.9	0	0	0	112	W112 L120 E121 V222 R224 L233	L52-W112 HydrophobicContact CB-CH2 3.64Å; L52-W112 HydrophobicContact CB-CZ2 4.06Å; L52-W112 HydrophobicContact CD1-CH2 4.16Å; L52-L120 HydrophobicContact CD1-CD2 4.13Å; L52-E121 HydrophobicContact CD2-CB 4.44Å; L52-E121 HydrophobicContact CD2-CG 4.18Å; L52-V222 PolarHBondContact N-O 3.47Å; L52-R224 HydrophobicContact CD1-CB 3.9Å; L52-R224 HydrophobicContact CD2-CB 3.81Å; L52-R224 HydrophobicContact CG-CB 3.79Å; L52-L233 HydrophobicContact CD1-CD1 4.13Å
53	G	98.6	Very high	98.6	Very high	18 Å²	18	50 Å²	50	19%	0.186	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.3	-167	-178.3	0	0	0	0	0	110.8	E51 V222	E51-G53 WeakPolarHBondContact CG-O 3.31Å; G53-V222 PolarHBondContact O-N 3.23Å
54	C	98.9	Very high	98.6	Very high	27 Å²	27	47.9 Å²	47.9	18%	0.182	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	172.5	-178.9	62.8	0	0	0	0	111.4	W112 F219 C220	C54-W112 PolarHBondContact O-NE1 3.25Å; C54-F219 HydrophobicContact CB-CE2 3.52Å; C54-F219 HydrophobicContact CB-CZ 3.66Å; C54-C220 CarbonylContact C-O 3.39Å; C54-C220 WeakPolarHBondContact CA-O 3.34Å; C54-C220 VanDerWaalsContact CB-O 3.28Å; C54-C220 WeakPolarHBondContact CB-O 3.49Å
55	F	98.9	Very high	98.6	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	164.1	165.1	59.9	-90	0	0	0	110.1	Y63 H64 D66 H108 W112 W134 C220 V222	F55-Y63 HydrophobicContact CB-CD2 4.24Å; F55-Y63 HydrophobicContact CB-CE1 4.4Å; F55-Y63 HydrophobicContact CB-CE2 3.44Å; F55-Y63 VanDerWaalsContact CB-CE2 3.44Å; F55-Y63 WeakPolarHBondContact CB-OH 3.36Å; F55-Y63 AromaticContact CD1-CE2 3.95Å; F55-Y63 HydrophobicContact CD1-CE2 3.95Å; F55-Y63 AromaticContact CD2-CD2 3.79Å; F55-Y63 HydrophobicContact CD2-CD2 3.79Å; F55-Y63 AromaticContact CD2-CE2 3.49Å; F55-Y63 HydrophobicContact CD2-CE2 3.49Å; F55-Y63 VanDerWaalsContact CD2-CE2 3.49Å; F55-Y63 HydrophobicContact CE2-CD2 4.46Å; F55-Y63 HydrophobicContact CE2-CE2 4.24Å; F55-Y63 HydrophobicContact CG-CD2 4.1Å; F55-Y63 AromaticContact CG-CE2 3.33Å; F55-Y63 HydrophobicContact CG-CE2 3.33Å; F55-Y63 AromaticContact CG-CZ 3.92Å; F55-H64 CarbonylContact C-O 3.57Å; F55-H64 WeakPolarHBondContact CA-O 3.48Å; F55-H64 WeakPolarHBondContact CB-O 3.4Å; F55-D66 CarbonylContact C-O 2.9Å; F55-D66 VanDerWaalsContact C-O 3.26Å; F55-D66 WeakPolarHBondContact CA-O 3.31Å; F55-H108 HydrophobicContact CE2-CB 3.98Å; F55-H108 HydrophobicContact CZ-CB 4.31Å; F55-W112 HydrophobicContact CD1-CB 4.06Å; F55-W112 AromaticContact CD1-CD1 3.88Å; F55-W112 HydrophobicContact CD1-CG 4.12Å; F55-W112 HydrophobicContact CE1-CB 4.42Å; F55-W134 HydrophobicContact CE2-CH2 4.33Å; F55-W134 AromaticContact CZ-CH2 3.67Å; F55-W134 HydrophobicContact CZ-CH2 3.67Å; F55-W134 AromaticContact CZ-CZ3 3.99Å; F55-W134 HydrophobicContact CZ-CZ3 3.99Å; F55-C220 HydrophobicContact CD1-CB 4.24Å; F55-C220 HydrophobicContact CD2-CB 4.03Å; F55-C220 HydrophobicContact CE1-CB 3.73Å; F55-C220 HydrophobicContact CE2-CB 3.49Å; F55-C220 VanDerWaalsContact CE2-CB 3.49Å; F55-C220 HydrophobicContact CG-CB 4.36Å; F55-C220 HydrophobicContact CZ-CB 3.31Å; F55-C220 PolarHBondContact N-O 3.49Å; F55-C220 PolarHBondContact O-N 2.95Å; F55-V222 HydrophobicContact CD1-CG2 3.86Å; F55-V222 HydrophobicContact CE1-CG2 3.74Å
56	S	98.9	Very high	98.6	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	146.9	178.6	-63.2	0	0	0	0	110.7	H64 D66 R68 A69 A218	S56-H64 PolarHBondContact N-O 2.9Å; S56-H64 PolarHBondContact O-N 3.46Å; S56-D66 WeakPolarHBondContact CB-O 3.35Å; S56-D66 PolarHBondContact N-O 3.38Å; S56-D66 VanDerWaalsContact N-O 3.11Å; S56-D66 PolarHBondContact OG-O 3.34Å; S56-R68 PolarHBondContact OG-N 3.32Å; S56-R68 VanDerWaalsContact OG-N 3.15Å; S56-A69 PolarHBondContact OG-N 3.11Å; S56-A218 CarbonylContact C-O 3.6Å; S56-A218 WeakPolarHBondContact CA-O 3.38Å
57	L	98.9	Very high	98.6	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.01	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	129.7	165.2	-60.7	172.2	0	0	0	107.6	R61 Q62 Y63 V217 A218	L57-R61 VanDerWaalsContact CD1-NH1 3.3Å; L57-Q62 WeakPolarHBondContact CA-O 3.39Å; L57-Y63 HydrophobicContact CD2-CD2 4.46Å; L57-V217 VanDerWaalsContact O-CA 3.27Å; L57-V217 WeakPolarHBondContact O-CA 3.46Å; L57-A218 HydrophobicContact CB-CB 4.36Å; L57-A218 HydrophobicContact CD1-CB 4.47Å; L57-A218 PolarHBondContact N-O 3.28Å; L57-A218 PolarHBondContact O-N 3.5Å
58	D	98.7	Very high	98.6	Very high	32 Å²	32	51.2 Å²	51.2	17%	0.171	27%	0.265	C	S	.	.			trans	-86.9	-173.5	-178	70.1	16.9	0	0	0	113.2	Q60 R61 Q62 H64 N216	D58-Q60 PolarHBondContact O-N 3.49Å; D58-Q60 VanDerWaalsContact O-N 3.11Å; D58-Q60 VanDerWaalsContact OD1-C 3.31Å; D58-Q60 WeakPolarHBondContact OD1-CA 3.18Å; D58-Q60 PolarHBondContact OD1-N 3.41Å; D58-R61 PolarHBondContact O-N 3.12Å; D58-R61 PolarHBondContact OD1-N 3.25Å; D58-R61 VanDerWaalsContact OD1-N 3.13Å; D58-Q62 PolarHBondContact N-O 2.85Å; D58-Q62 WeakPolarHBondContact OD1-CB 3.25Å; D58-Q62 PolarHBondContact OD1-N 2.91Å; D58-Q62 WeakPolarHBondContact OD2-CB 3.39Å; D58-H64 IonicContact OD2-CD2 3.86Å; D58-H64 IonicContact OD2-CE1 2.77Å; D58-H64 IonicContact OD2-NE2 3.73Å; D58-H64 PolarHBondContact OD2-NE2 3.03Å; D58-N216 CarbonylContact O-C 3.26Å
59	A	98.4	Very high	98.6	Very high	36 Å²	36	43 Å²	43	30%	0.298	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-18.6	-179.3	0	0	0	0	0	114	N214 V217	A59-N214 WeakPolarHBondContact CA-ND2 3.39Å; A59-N214 WeakPolarHBondContact CB-ND2 3.46Å; A59-N214 PolarHBondContact O-ND2 3.3Å; A59-V217 HydrophobicContact CB-CG2 4.16Å
60	Q	98.4	Very high	98.7	Very high	127 Å²	127	43.7 Å²	43.7	59%	0.593	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.5	15.3	176.4	-65.3	73.3	38.4	0	0	111.8	D58 Q62	D58-Q60 PolarHBondContact O-N 3.49Å; D58-Q60 VanDerWaalsContact O-N 3.11Å; D58-Q60 VanDerWaalsContact OD1-C 3.31Å; D58-Q60 WeakPolarHBondContact OD1-CA 3.18Å; D58-Q60 PolarHBondContact OD1-N 3.41Å; Q60-Q62 HydrophobicContact CB-CG 4.11Å; Q60-Q62 PolarHBondContact O-N 2.65Å; Q60-Q62 PolarHBondContact O-NE2 2.75Å
61	R	98.4	Very high	98.7	Very high	48 Å²	48	44.8 Å²	44.8	18%	0.181	24%	0.239	C	C	.	.			trans	61.8	22	-178.5	-157.1	62.2	177.2	171.7	0	113.8	L57 D58 R98 E104 N216	L57-R61 VanDerWaalsContact CD1-NH1 3.3Å; D58-R61 PolarHBondContact O-N 3.12Å; D58-R61 PolarHBondContact OD1-N 3.25Å; D58-R61 VanDerWaalsContact OD1-N 3.13Å; R61-R98 VanDerWaalsContact NE-CD 3.35Å; R61-E104 WeakPolarHBondContact CG-OE1 3.29Å; R61-E104 IonicContact CZ-OE1 3.11Å; R61-E104 IonicContact CZ-OE2 3.95Å; R61-E104 IonicContact NE-OE1 3.85Å; R61-E104 PolarHBondContact NE-OE1 2.84Å; R61-E104 IonicContact NE-OE2 3.3Å; R61-E104 PolarHBondContact NE-OE2 3Å; R61-E104 IonicContact NH2-OE1 2.78Å; R61-E104 IonicContact NH2-OE2 2.9Å; R61-E104 PolarHBondContact NH2-OE2 3.13Å; R61-N216 HydrophobicContact CB-CB 4.11Å; R61-N216 VanDerWaalsContact CD-O 3.23Å; R61-N216 WeakPolarHBondContact CD-O 3.36Å; R61-N216 PolarHBondContact NH1-O 2.98Å
62	Q	98.7	Very high	98.7	Very high	113 Å²	113	45.5 Å²	45.5	53%	0.528	24%	0.24	S	C	.	.			trans	-82.7	140.4	177.9	-53	-58.4	-62.3	0	0	111	L57 D58 Q60 H64	L57-Q62 WeakPolarHBondContact CA-O 3.39Å; D58-Q62 PolarHBondContact N-O 2.85Å; D58-Q62 WeakPolarHBondContact OD1-CB 3.25Å; D58-Q62 PolarHBondContact OD1-N 2.91Å; D58-Q62 WeakPolarHBondContact OD2-CB 3.39Å; Q60-Q62 HydrophobicContact CB-CG 4.11Å; Q60-Q62 PolarHBondContact O-N 2.65Å; Q60-Q62 PolarHBondContact O-NE2 2.75Å; Q62-H64 PolarHBondContact O-CD2 2.77Å
63	Y	98.8	Very high	98.7	Very high	13 Å²	13	45.3 Å²	45.3	5%	0.051	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	133.3	179.5	179.7	-79.7	0	0	0	112.4	F55 L57 H108 R111 W112	F55-Y63 HydrophobicContact CB-CD2 4.24Å; F55-Y63 HydrophobicContact CB-CE1 4.4Å; F55-Y63 HydrophobicContact CB-CE2 3.44Å; F55-Y63 VanDerWaalsContact CB-CE2 3.44Å; F55-Y63 WeakPolarHBondContact CB-OH 3.36Å; F55-Y63 AromaticContact CD1-CE2 3.95Å; F55-Y63 HydrophobicContact CD1-CE2 3.95Å; F55-Y63 AromaticContact CD2-CD2 3.79Å; F55-Y63 HydrophobicContact CD2-CD2 3.79Å; F55-Y63 AromaticContact CD2-CE2 3.49Å; F55-Y63 HydrophobicContact CD2-CE2 3.49Å; F55-Y63 VanDerWaalsContact CD2-CE2 3.49Å; F55-Y63 HydrophobicContact CE2-CD2 4.46Å; F55-Y63 HydrophobicContact CE2-CE2 4.24Å; F55-Y63 HydrophobicContact CG-CD2 4.1Å; F55-Y63 AromaticContact CG-CE2 3.33Å; F55-Y63 HydrophobicContact CG-CE2 3.33Å; F55-Y63 AromaticContact CG-CZ 3.92Å; L57-Y63 HydrophobicContact CD2-CD2 4.46Å; Y63-H108 HydrophobicContact CD2-CB 4.1Å; Y63-H108 WeakPolarHBondContact CE2-O 3.49Å; Y63-R111 HydrophobicContact CD1-CG 4.24Å; Y63-R111 VanDerWaalsContact CD1-CZ 3.5Å; Y63-R111 VanDerWaalsContact CD1-NE 3.29Å; Y63-R111 HydrophobicContact CE1-CG 4.06Å; Y63-R111 HydrophobicContact CE2-CG 4.49Å; Y63-W112 HydrophobicContact CE2-CB 4.49Å; Y63-W112 WeakPolarHBondContact OH-CA 3.43Å; Y63-W112 VanDerWaalsContact OH-CB 3.29Å; Y63-W112 WeakPolarHBondContact OH-CB 3.34Å
64	H	98.9	Very high	98.7	Very high	43 Å²	43	45.5 Å²	45.5	20%	0.199	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	127.1	170.3	-56.6	-84.1	0	0	0	109.6	F55 S56 D58 Q62 D66 R68	F55-H64 CarbonylContact C-O 3.57Å; F55-H64 WeakPolarHBondContact CA-O 3.48Å; F55-H64 WeakPolarHBondContact CB-O 3.4Å; S56-H64 PolarHBondContact N-O 2.9Å; S56-H64 PolarHBondContact O-N 3.46Å; D58-H64 IonicContact OD2-CD2 3.86Å; D58-H64 IonicContact OD2-CE1 2.77Å; D58-H64 IonicContact OD2-NE2 3.73Å; D58-H64 PolarHBondContact OD2-NE2 3.03Å; Q62-H64 PolarHBondContact O-CD2 2.77Å; H64-D66 PolarHBondContact O-N 2.69Å; H64-R68 PolarHBondContact CE1-NH1 3.16Å; H64-R68 VanDerWaalsContact CE1-NH1 3.27Å; H64-R68 PolarHBondContact ND1-NH1 3.43Å; H64-R68 PolarHBondContact ND1-NH2 3.41Å
65	G	98.6	Very high	98.6	Very high	48 Å²	48	46.7 Å²	46.7	50%	0.495	24%	0.243	S	C	.	.	S	Bend	trans	-75.6	47	179.7	0	0	0	0	0	113.8
66	D	98.8	Very high	98.5	Very high	57 Å²	57	48.4 Å²	48.4	31%	0.305	25%	0.254	S	S	.	.	S	Bend	trans	-149.2	-177.7	-179.6	63.2	45.1	0	0	0	111.9	F55 S56 H64 R68	F55-D66 CarbonylContact C-O 2.9Å; F55-D66 VanDerWaalsContact C-O 3.26Å; F55-D66 WeakPolarHBondContact CA-O 3.31Å; S56-D66 WeakPolarHBondContact CB-O 3.35Å; S56-D66 PolarHBondContact N-O 3.38Å; S56-D66 VanDerWaalsContact N-O 3.11Å; S56-D66 PolarHBondContact OG-O 3.34Å; H64-D66 PolarHBondContact O-N 2.69Å; D66-R68 VanDerWaalsContact OD1-CB 3.25Å; D66-R68 WeakPolarHBondContact OD1-CB 3.48Å; D66-R68 WeakPolarHBondContact OD1-CG 3.32Å; D66-R68 IonicContact OD1-CZ 2.91Å; D66-R68 PolarHBondContact OD1-N 3.22Å; D66-R68 IonicContact OD1-NE 3.15Å; D66-R68 PolarHBondContact OD1-NE 3.43Å; D66-R68 IonicContact OD1-NH2 3.63Å; D66-R68 IonicContact OD2-CZ 3.7Å; D66-R68 VanDerWaalsContact OD2-CZ 3.3Å; D66-R68 IonicContact OD2-NE 2.75Å; D66-R68 PolarHBondContact OD2-NE 3.18Å; D66-R68 VanDerWaalsContact OD2-NE 3.11Å; D66-R68 IonicContact OD2-NH2 2.65Å; D66-R68 PolarHBondContact OD2-NH2 2.68Å
67	A	98.7	Very high	98.3	Very high	43 Å²	43	53.3 Å²	53.3	36%	0.355	29%	0.286	S	S	.	.	S	Bend	trans	-99	24	-176.7	0	0	0	0	0	114.1	A69 L70 F219	A67-A69 PolarHBondContact O-N 2.9Å; A67-A69 VanDerWaalsContact O-N 3.13Å; A67-L70 HydrophobicContact CB-CB 4.24Å; A67-L70 VanDerWaalsContact O-CB 3.25Å; A67-L70 WeakPolarHBondContact O-CB 3.43Å; A67-L70 PolarHBondContact O-N 3.4Å; A67-F219 HydrophobicContact CB-CD2 4.23Å; A67-F219 HydrophobicContact CB-CE2 3.62Å; A67-F219 HydrophobicContact CB-CZ 4.49Å
68	R	98.6	Very high	97.8	Very high	147 Å²	147	58 Å²	58	56%	0.555	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.9	-176	71	-177.2	63.7	-172.8	0.8	115.1	S56 H64 D66	S56-R68 PolarHBondContact OG-N 3.32Å; S56-R68 VanDerWaalsContact OG-N 3.15Å; H64-R68 PolarHBondContact CE1-NH1 3.16Å; H64-R68 VanDerWaalsContact CE1-NH1 3.27Å; H64-R68 PolarHBondContact ND1-NH1 3.43Å; H64-R68 PolarHBondContact ND1-NH2 3.41Å; D66-R68 VanDerWaalsContact OD1-CB 3.25Å; D66-R68 WeakPolarHBondContact OD1-CB 3.48Å; D66-R68 WeakPolarHBondContact OD1-CG 3.32Å; D66-R68 IonicContact OD1-CZ 2.91Å; D66-R68 PolarHBondContact OD1-N 3.22Å; D66-R68 IonicContact OD1-NE 3.15Å; D66-R68 PolarHBondContact OD1-NE 3.43Å; D66-R68 IonicContact OD1-NH2 3.63Å; D66-R68 IonicContact OD2-CZ 3.7Å; D66-R68 VanDerWaalsContact OD2-CZ 3.3Å; D66-R68 IonicContact OD2-NE 2.75Å; D66-R68 PolarHBondContact OD2-NE 3.18Å; D66-R68 VanDerWaalsContact OD2-NE 3.11Å; D66-R68 IonicContact OD2-NH2 2.65Å; D66-R68 PolarHBondContact OD2-NH2 2.68Å
69	A	98.7	Very high	97.4	Very high	15 Å²	15	65.8 Å²	65.8	12%	0.124	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-3.1	177.3	0	0	0	0	0	113.2	S56 A67 R71 V217 A218 F219	S56-A69 PolarHBondContact OG-N 3.11Å; A67-A69 PolarHBondContact O-N 2.9Å; A67-A69 VanDerWaalsContact O-N 3.13Å; A69-R71 PolarHBondContact O-N 3Å; A69-V217 HydrophobicContact CB-CG1 3.93Å; A69-A218 WeakPolarHBondContact CB-O 3.33Å; A69-F219 HydrophobicContact CB-CB 4.06Å
70	L	98.8	Very high	97	Very high	26 Å²	26	65.9 Å²	65.9	14%	0.136	36%	0.364	C	S	.	.			trans	-68.5	126.3	178.3	178.7	61	0	0	0	109.8	A67 F219 V241 Y254	A67-L70 HydrophobicContact CB-CB 4.24Å; A67-L70 VanDerWaalsContact O-CB 3.25Å; A67-L70 WeakPolarHBondContact O-CB 3.43Å; A67-L70 PolarHBondContact O-N 3.4Å; L70-F219 HydrophobicContact CB-CB 4.45Å; L70-F219 HydrophobicContact CB-CD1 4.22Å; L70-F219 HydrophobicContact CB-CD2 3.79Å; L70-F219 HydrophobicContact CB-CE1 4.48Å; L70-F219 HydrophobicContact CB-CE2 4.05Å; L70-F219 HydrophobicContact CB-CG 3.88Å; L70-F219 HydrophobicContact CB-CZ 4.39Å; L70-F219 HydrophobicContact CD1-CD1 3.58Å; L70-F219 HydrophobicContact CD1-CE1 3.68Å; L70-F219 HydrophobicContact CD1-CG 4.1Å; L70-F219 HydrophobicContact CD1-CZ 4.24Å; L70-F219 HydrophobicContact CD2-CZ 4.3Å; L70-F219 HydrophobicContact CG-CD1 4.43Å; L70-F219 HydrophobicContact CG-CE1 4.44Å; L70-V241 HydrophobicContact CD1-CB 4.14Å; L70-V241 HydrophobicContact CD1-CG1 4.04Å; L70-V241 HydrophobicContact CD2-CB 4.33Å; L70-V241 HydrophobicContact CD2-CG1 3.84Å; L70-V241 HydrophobicContact CG-CG1 3.95Å; L70-Y254 HydrophobicContact CD1-CE1 4.42Å
71	R	98.8	Very high	96.7	Very high	60 Å²	60	65.4 Å²	65.4	23%	0.226	37%	0.372	C	S	.	.			trans	-105.5	165.2	173.9	-62.4	176.5	-65.3	174.2	-2.7	111.5	A69 E195 C199 C240 V241	A69-R71 PolarHBondContact O-N 3Å; R71-E195 IonicContact CZ-OE2 3.67Å; R71-E195 IonicContact NH1-OE2 2.82Å; R71-E195 IonicContact NH2-OE2 3.86Å; R71-E195 PolarHBondContact NH2-OE2 2.83Å; R71-C199 HydrophobicContact CB-CB 3.87Å; R71-C240 CarbonylContact O-C 3.46Å; R71-C240 WeakPolarHBondContact O-CA 3.43Å; R71-C240 VanDerWaalsContact O-CB 3.3Å; R71-C240 WeakPolarHBondContact O-CB 3.36Å; R71-V241 PolarHBondContact O-N 2.86Å
72	Y	98.8	Very high	96.5	Very high	63 Å²	63	66 Å²	66	25%	0.247	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	127.4	-174.3	-60.1	-88.4	0	0	0	110.7	S74 C199 A200 D201 K202 P203 V241 P243	Y72-S74 PolarHBondContact O-N 3.38Å; Y72-C199 CarbonylContact O-C 3.55Å; Y72-C199 VanDerWaalsContact O-CA 3.29Å; Y72-C199 WeakPolarHBondContact O-CA 3.5Å; Y72-A200 PolarHBondContact N-O 3.43Å; Y72-A200 PolarHBondContact O-N 2.81Å; Y72-D201 WeakPolarHBondContact CE2-O 3.3Å; Y72-K202 VanDerWaalsContact CD2-C 3.41Å; Y72-P203 HydrophobicContact CD1-CB 4.08Å; Y72-P203 HydrophobicContact CD1-CG 3.8Å; Y72-P203 HydrophobicContact CD2-CG 4.38Å; Y72-P203 HydrophobicContact CE1-CB 4.29Å; Y72-P203 HydrophobicContact CE1-CG 3.55Å; Y72-P203 HydrophobicContact CE2-CG 4.14Å; Y72-P203 HydrophobicContact CG-CB 4.42Å; Y72-P203 HydrophobicContact CG-CG 4.22Å; Y72-V241 CarbonylContact C-O 3.47Å; Y72-V241 WeakPolarHBondContact CA-O 3.3Å; Y72-V241 HydrophobicContact CD1-CG1 3.32Å; Y72-V241 HydrophobicContact CE1-CG1 3.46Å; Y72-V241 VanDerWaalsContact CE1-CG1 3.46Å; Y72-V241 HydrophobicContact CG-CG1 4.17Å; Y72-P243 HydrophobicContact CD1-CG 3.96Å
73	Y	98.8	Very high	96.4	Very high	34 Å²	34	61.8 Å²	61.8	13%	0.133	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	121.2	175.9	-177.6	-117.3	0	0	0	110.1	P75 M198 V241 N242 V255 L257 V293	Y73-P75 HydrophobicContact CD1-CG 4.23Å; Y73-P75 HydrophobicContact CE1-CB 4.06Å; Y73-P75 HydrophobicContact CE1-CG 3.6Å; Y73-P75 HydrophobicContact CE2-CB 4.42Å; Y73-M198 HydrophobicContact CD2-CE 4.46Å; Y73-M198 HydrophobicContact CE2-CE 3.49Å; Y73-M198 VanDerWaalsContact CE2-CE 3.49Å; Y73-V241 PolarHBondContact N-O 3.31Å; Y73-N242 HydrophobicContact CD1-CB 4.14Å; Y73-N242 HydrophobicContact CG-CB 4.46Å; Y73-V255 HydrophobicContact CD2-CG1 4.37Å; Y73-L257 HydrophobicContact CD2-CD2 4.19Å; Y73-L257 HydrophobicContact CE2-CD2 4.08Å; Y73-V293 HydrophobicContact CE2-CB 4.44Å; Y73-V293 HydrophobicContact CE2-CG1 4.35Å; Y73-V293 HydrophobicContact CE2-CG2 4.15Å
74	S	98.3	Very high	96.4	Very high	22 Å²	22	66.4 Å²	66.4	15%	0.154	40%	0.401	C	S	.	.			trans	-137.9	80.4	-179	-179.6	0	0	0	0	109.7	Y72 M198 G205 P207	Y72-S74 PolarHBondContact O-N 3.38Å; S74-M198 PolarHBondContact N-O 3.38Å; S74-G205 PolarHBondContact OG-O 3.17Å; S74-G205 VanDerWaalsContact OG-O 3.06Å; S74-P207 WeakPolarHBondContact O-CG 3.28Å; S74-P207 WeakPolarHBondContact OG-CD 3.31Å
75	P	97.8	Very high	96.4	Very high	51 Å²	51	65.5 Å²	65.5	33%	0.331	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-68.2	168.6	178.5	30.9	-35.2	0	0	0	112	Y73 M198	Y73-P75 HydrophobicContact CD1-CG 4.23Å; Y73-P75 HydrophobicContact CE1-CB 4.06Å; Y73-P75 HydrophobicContact CE1-CG 3.6Å; Y73-P75 HydrophobicContact CE2-CB 4.42Å; P75-M198 HydrophobicContact CB-CE 3.98Å
76	P	96.7	Very high	96.4	Very high	37 Å²	37	65.5 Å²	65.5	24%	0.24	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-49.5	142.9	170.8	-29.1	35.7	0	0	0	113	A78 P83 F85 L306	P76-A78 PolarHBondContact O-N 2.87Å; P76-P83 HydrophobicContact CG-CB 4.19Å; P76-F85 HydrophobicContact CG-CE1 4.35Å; P76-F85 HydrophobicContact CG-CE2 4.48Å; P76-F85 HydrophobicContact CG-CZ 3.63Å; P76-L306 HydrophobicContact CG-CD1 4.08Å
77	P	93.2	Very high	96.4	Very high	103 Å²	103	62.8 Å²	62.8	67%	0.669	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-57.8	137.6	176	-23.7	33.5	0	0	0	112.3	H79 G80	P77-H79 PolarHBondContact O-N 3.45Å; P77-H79 VanDerWaalsContact O-N 3.11Å; P77-G80 PolarHBondContact O-N 2.97Å
78	A	88.6	Confident	96.4	Very high	100 Å²	100	65.5 Å²	65.5	83%	0.826	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-27.8	-175.4	0	0	0	0	0	114.7	P76	P76-A78 PolarHBondContact O-N 2.87Å
79	H	90.4	Very high	96.4	Very high	196 Å²	196	61.1 Å²	61.1	91%	0.907	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	17.8	178.9	-58	-58.3	0	0	0	113	P77	P77-H79 PolarHBondContact O-N 3.45Å; P77-H79 VanDerWaalsContact O-N 3.11Å
80	G	89.9	Confident	96.4	Very high	37 Å²	37	61 Å²	61	38%	0.381	36%	0.359	S	S	.	.	S	Bend	trans	-97.6	-177.5	176.5	0	0	0	0	0	113.3	P77	P77-G80 PolarHBondContact O-N 2.97Å
81	P	92.8	Very high	96.4	Very high	118 Å²	118	62.8 Å²	62.8	77%	0.766	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-59.3	155.1	166.1	27.8	-33.8	0	0	0	110.7
82	G	94	Very high	96.3	Very high	59 Å²	59	63.4 Å²	63.4	61%	0.608	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-60.7	169.2	171.5	0	0	0	0	0	112.4	D84	G82-D84 PolarHBondContact O-N 2.98Å
83	P	97.1	Very high	96.3	Very high	26 Å²	26	67.7 Å²	67.7	17%	0.169	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-60.9	138	175.7	28.4	-34.6	0	0	0	110.2	P76 F85 V303 C304 L306	P76-P83 HydrophobicContact CG-CB 4.19Å; P83-F85 HydrophobicContact CB-CD2 4.06Å; P83-F85 HydrophobicContact CB-CE1 4.35Å; P83-F85 HydrophobicContact CB-CE2 3.63Å; P83-F85 HydrophobicContact CB-CZ 3.82Å; P83-V303 CarbonylContact C-O 3.5Å; P83-C304 WeakPolarHBondContact O-CA 3.42Å; P83-L306 HydrophobicContact CB-CD1 4.17Å; P83-L306 HydrophobicContact CB-CG 4.33Å; P83-L306 HydrophobicContact CG-CD1 4.12Å; P83-L306 HydrophobicContact CG-CG 4.04Å
84	D	98	Very high	96.3	Very high	109 Å²	109	68.8 Å²	68.8	58%	0.583	40%	0.402	S	S	*	.			trans	-145.9	64.1	172.1	-170.5	26.4	0	0	0	108.9	G82 V303	G82-D84 PolarHBondContact O-N 2.98Å; D84-V303 WeakPolarHBondContact CA-O 3.39Å; D84-V303 PolarHBondContact N-O 3.23Å
85	F	98.7	Very high	96.3	Very high	24 Å²	24	69.7 Å²	69.7	11%	0.105	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	114.2	-170.6	-51.1	-44.4	0	0	0	111.1	P76 P83 L87 F194 Y197 M198 F302 V303 L306	P76-F85 HydrophobicContact CG-CE1 4.35Å; P76-F85 HydrophobicContact CG-CE2 4.48Å; P76-F85 HydrophobicContact CG-CZ 3.63Å; P83-F85 HydrophobicContact CB-CD2 4.06Å; P83-F85 HydrophobicContact CB-CE1 4.35Å; P83-F85 HydrophobicContact CB-CE2 3.63Å; P83-F85 HydrophobicContact CB-CZ 3.82Å; F85-L87 HydrophobicContact CB-CD2 4.29Å; F85-L87 PolarHBondContact O-N 3.04Å; F85-L87 VanDerWaalsContact O-N 3.14Å; F85-F194 HydrophobicContact CD2-CD2 4.23Å; F85-F194 HydrophobicContact CD2-CE2 4.14Å; F85-F194 HydrophobicContact CE2-CE2 4.23Å; F85-Y197 HydrophobicContact CB-CD1 4.06Å; F85-Y197 HydrophobicContact CB-CD2 3.72Å; F85-Y197 HydrophobicContact CB-CE1 4.3Å; F85-Y197 HydrophobicContact CB-CE2 3.97Å; F85-Y197 HydrophobicContact CB-CG 3.76Å; F85-Y197 AromaticContact CD1-CD1 3.57Å; F85-Y197 HydrophobicContact CD1-CD1 3.57Å; F85-Y197 HydrophobicContact CD1-CE1 4.21Å; F85-Y197 AromaticContact CD1-CG 3.8Å; F85-Y197 HydrophobicContact CD1-CG 3.8Å; F85-Y197 HydrophobicContact CD2-CG 4.47Å; F85-Y197 HydrophobicContact CE1-CD1 4.22Å; F85-Y197 HydrophobicContact CE1-CG 4.47Å; F85-Y197 HydrophobicContact CG-CD1 4.01Å; F85-Y197 HydrophobicContact CG-CD2 4.23Å; F85-Y197 AromaticContact CG-CG 3.78Å; F85-Y197 HydrophobicContact CG-CG 3.78Å; F85-M198 HydrophobicContact CE2-CG 4.37Å; F85-M198 HydrophobicContact CE2-SD 3.49Å; F85-M198 WeakPolarHBondContact CE2-SD 3.39Å; F85-M198 HydrophobicContact CZ-SD 3.82Å; F85-F302 CarbonylContact O-C 3.57Å; F85-F302 WeakPolarHBondContact O-CA 3.46Å; F85-V303 HydrophobicContact CB-CB 4.2Å; F85-V303 HydrophobicContact CD2-CB 3.97Å; F85-V303 HydrophobicContact CD2-CG1 4.01Å; F85-V303 PolarHBondContact N-O 3.37Å; F85-V303 VanDerWaalsContact N-O 3.1Å; F85-V303 PolarHBondContact O-N 2.87Å; F85-L306 HydrophobicContact CE2-CD1 4.45Å
86	D	98.8	Very high	96.3	Very high	49 Å²	49	73.1 Å²	73.1	26%	0.262	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	101.2	171	-173.1	-12.1	0	0	0	110.2	R88 D89 Y197 F302	D86-R88 PolarHBondContact O-N 3.1Å; D86-R88 WeakPolarHBondContact OD1-CA 3.35Å; D86-R88 WeakPolarHBondContact OD1-CB 3.48Å; D86-R88 PolarHBondContact OD1-N 3.34Å; D86-D89 HydrophobicContact CB-CB 4.15Å; D86-D89 WeakPolarHBondContact O-CB 3.2Å; D86-D89 PolarHBondContact O-N 2.89Å; D86-D89 PolarHBondContact OD1-N 3.27Å; D86-Y197 WeakPolarHBondContact O-CE2 3.34Å; D86-Y197 PolarHBondContact O-OH 3.44Å; D86-F302 HydrophobicContact CB-CD1 3.95Å; D86-F302 HydrophobicContact CB-CE1 3.49Å; D86-F302 VanDerWaalsContact CB-CE1 3.49Å; D86-F302 HydrophobicContact CB-CZ 4Å
87	L	98.9	Very high	96.4	Very high	0 Å²	0	74.8 Å²	74.8	0%	0	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-7.8	179.8	-55.1	-175.1	0	0	0	113.5	F85 Y189 M190 F194 Y197 T259 R297 G301 V303	F85-L87 HydrophobicContact CB-CD2 4.29Å; F85-L87 PolarHBondContact O-N 3.04Å; F85-L87 VanDerWaalsContact O-N 3.14Å; L87-Y189 WeakPolarHBondContact O-CD1 3.35Å; L87-Y189 VanDerWaalsContact O-CE1 3.26Å; L87-Y189 WeakPolarHBondContact O-CE1 3.29Å; L87-M190 HydrophobicContact CB-CB 3.8Å; L87-M190 HydrophobicContact CB-CE 3.8Å; L87-M190 HydrophobicContact CB-CG 3.75Å; L87-M190 HydrophobicContact CD1-CB 4.06Å; L87-M190 HydrophobicContact CD1-CE 4.09Å; L87-M190 WeakPolarHBondContact O-CG 3.28Å; L87-F194 HydrophobicContact CD2-CB 3.73Å; L87-F194 HydrophobicContact CD2-CD2 4.33Å; L87-Y197 HydrophobicContact CD2-CD2 4.14Å; L87-Y197 HydrophobicContact CD2-CE2 4.37Å; L87-T259 HydrophobicContact CD1-CG2 4.01Å; L87-R297 HydrophobicContact CD1-CB 4.18Å; L87-G301 WeakPolarHBondContact CB-O 3.28Å; L87-G301 WeakPolarHBondContact CG-O 3.36Å; L87-G301 PolarHBondContact N-O 2.78Å; L87-G301 VanDerWaalsContact N-O 3.09Å; L87-V303 HydrophobicContact CD1-CG2 3.55Å; L87-V303 HydrophobicContact CD2-CG2 4.07Å; L87-V303 HydrophobicContact CG-CG2 3.9Å
88	R	98.7	Very high	96.6	Very high	100 Å²	100	73.4 Å²	73.4	38%	0.377	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-21	176.6	-65	-179.1	157.2	155.9	-2.2	112.4	D86 G90 Y91 E186 E300	D86-R88 PolarHBondContact O-N 3.1Å; D86-R88 WeakPolarHBondContact OD1-CA 3.35Å; D86-R88 WeakPolarHBondContact OD1-CB 3.48Å; D86-R88 PolarHBondContact OD1-N 3.34Å; R88-G90 PolarHBondContact O-N 3.14Å; R88-G90 VanDerWaalsContact O-N 3.16Å; R88-Y91 PolarHBondContact O-N 3.45Å; R88-E186 WeakPolarHBondContact CD-OE1 3.42Å; R88-E186 WeakPolarHBondContact CG-OE1 3.42Å; R88-E186 IonicContact CZ-OE1 3.52Å; R88-E186 IonicContact NE-OE1 2.84Å; R88-E186 PolarHBondContact NE-OE1 3.22Å; R88-E186 IonicContact NH2-OE1 2.65Å; R88-E300 PolarHBondContact NH1-O 2.77Å
89	D	98.8	Very high	97	Very high	54 Å²	54	72.6 Å²	72.6	29%	0.289	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.8	120.8	176.9	169.9	58.1	0	0	0	111.5	D86 R94 Y189 K193	D86-D89 HydrophobicContact CB-CB 4.15Å; D86-D89 WeakPolarHBondContact O-CB 3.2Å; D86-D89 PolarHBondContact O-N 2.89Å; D86-D89 PolarHBondContact OD1-N 3.27Å; D89-R94 IonicContact OD1-NH2 2.7Å; D89-R94 PolarHBondContact OD1-NH2 2.75Å; D89-R94 IonicContact OD2-CZ 3.44Å; D89-R94 IonicContact OD2-NH1 3.03Å; D89-R94 IonicContact OD2-NH2 3.42Å; D89-R94 PolarHBondContact OD2-NH2 2.96Å; D89-Y189 PolarHBondContact O-OH 3.2Å; D89-K193 WeakPolarHBondContact O-CE 3.07Å; D89-K193 PolarHBondContact O-NZ 3.38Å; D89-K193 WeakPolarHBondContact OD2-CE 3.27Å; D89-K193 IonicContact OD2-NZ 3.44Å; D89-K193 PolarHBondContact OD2-NZ 2.88Å
90	G	98.4	Very high	97.2	Very high	12 Å²	12	66.1 Å²	66.1	12%	0.124	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.9	-3.3	179.2	0	0	0	0	0	116.1	R88 P92 E93 R94	R88-G90 PolarHBondContact O-N 3.14Å; R88-G90 VanDerWaalsContact O-N 3.16Å; G90-P92 CarbonylContact O-C 3.59Å; G90-E93 PolarHBondContact O-N 3.23Å; G90-E93 VanDerWaalsContact O-N 3.11Å; G90-R94 WeakPolarHBondContact O-CA 3.2Å; G90-R94 PolarHBondContact O-N 2.9Å
91	Y	98.3	Very high	97.4	Very high	65 Å²	65	68.2 Å²	68.2	26%	0.255	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	131.7	175	-175	-94.5	0	0	0	112.3	R88 E93 Y95 E186 Y189	R88-Y91 PolarHBondContact O-N 3.45Å; Y91-E93 VanDerWaalsContact C-OE2 3.31Å; Y91-Y95 AromaticContact CD2-CD1 3.91Å; Y91-Y95 HydrophobicContact CD2-CD1 3.91Å; Y91-Y95 HydrophobicContact CD2-CG 4.39Å; Y91-Y95 AromaticContact CE2-CD1 3.7Å; Y91-Y95 HydrophobicContact CE2-CD1 3.7Å; Y91-Y95 HydrophobicContact CE2-CE1 4.15Å; Y91-E186 HydrophobicContact CD1-CB 4.49Å; Y91-E186 HydrophobicContact CD1-CG 4.08Å; Y91-E186 HydrophobicContact CE1-CB 4.08Å; Y91-E186 HydrophobicContact CE1-CG 4.15Å; Y91-Y189 AromaticContact CD2-CD1 3.99Å; Y91-Y189 HydrophobicContact CD2-CD1 3.99Å; Y91-Y189 AromaticContact CD2-CD2 3.9Å; Y91-Y189 HydrophobicContact CD2-CD2 3.9Å; Y91-Y189 HydrophobicContact CD2-CE2 4.49Å; Y91-Y189 AromaticContact CD2-CG 3.58Å; Y91-Y189 HydrophobicContact CD2-CG 3.58Å; Y91-Y189 HydrophobicContact CE2-CG 4.43Å; Y91-Y189 HydrophobicContact CG-CD1 4.17Å; Y91-Y189 HydrophobicContact CG-CG 4.23Å
92	P	97.8	Very high	97.5	Very high	73 Å²	73	67.9 Å²	67.9	47%	0.474	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	cis	-90.4	-5.3	-4.1	35.9	-37.1	0	0	0	115	G90 R94 Y95	G90-P92 CarbonylContact O-C 3.59Å; P92-R94 VanDerWaalsContact C-N 3.33Å; P92-R94 PolarHBondContact O-N 3.39Å; P92-Y95 WeakPolarHBondContact O-CB 3.41Å; P92-Y95 PolarHBondContact O-N 3.21Å; P92-Y95 VanDerWaalsContact O-N 3.07Å
93	E	98.5	Very high	97.5	Very high	153 Å²	153	70 Å²	70	72%	0.715	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-31.9	-163.7	-65.3	72.9	-159.3	0	0	114.6	G90 Y91	G90-E93 PolarHBondContact O-N 3.23Å; G90-E93 VanDerWaalsContact O-N 3.11Å; Y91-E93 VanDerWaalsContact C-OE2 3.31Å
94	R	98.4	Very high	97.5	Very high	56 Å²	56	70.5 Å²	70.5	21%	0.211	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	18.7	178.4	-72.6	-172	-70.8	130.1	-8.3	112.6	D89 G90 P92 P209 S210 G211 E212 V213	D89-R94 IonicContact OD1-NH2 2.7Å; D89-R94 PolarHBondContact OD1-NH2 2.75Å; D89-R94 IonicContact OD2-CZ 3.44Å; D89-R94 IonicContact OD2-NH1 3.03Å; D89-R94 IonicContact OD2-NH2 3.42Å; D89-R94 PolarHBondContact OD2-NH2 2.96Å; G90-R94 WeakPolarHBondContact O-CA 3.2Å; G90-R94 PolarHBondContact O-N 2.9Å; P92-R94 VanDerWaalsContact C-N 3.33Å; P92-R94 PolarHBondContact O-N 3.39Å; R94-P209 PolarHBondContact NH1-O 2.85Å; R94-S210 WeakPolarHBondContact CD-O 3.41Å; R94-S210 PolarHBondContact NH1-O 3.29Å; R94-G211 PolarHBondContact NH1-O 3.32Å; R94-E212 HydrophobicContact CB-CG 4.31Å; R94-E212 HydrophobicContact CG-CG 4.48Å; R94-E212 WeakPolarHBondContact O-CA 3.39Å; R94-V213 PolarHBondContact O-N 2.68Å
95	Y	98.6	Very high	97.5	Very high	42 Å²	42	69.7 Å²	69.7	17%	0.165	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	120.7	178	-175.6	-146.9	0	0	0	112.1	Y91 P92 P97 Y189 V213 T215	Y91-Y95 AromaticContact CD2-CD1 3.91Å; Y91-Y95 HydrophobicContact CD2-CD1 3.91Å; Y91-Y95 HydrophobicContact CD2-CG 4.39Å; Y91-Y95 AromaticContact CE2-CD1 3.7Å; Y91-Y95 HydrophobicContact CE2-CD1 3.7Å; Y91-Y95 HydrophobicContact CE2-CE1 4.15Å; P92-Y95 WeakPolarHBondContact O-CB 3.41Å; P92-Y95 PolarHBondContact O-N 3.21Å; P92-Y95 VanDerWaalsContact O-N 3.07Å; Y95-P97 HydrophobicContact CD1-CG 4.36Å; Y95-P97 HydrophobicContact CE1-CB 3.92Å; Y95-P97 HydrophobicContact CE1-CG 4.1Å; Y95-P97 HydrophobicContact CE2-CB 4.13Å; Y95-P97 WeakPolarHBondContact O-CD 3.34Å; Y95-Y189 HydrophobicContact CD1-CD2 4.04Å; Y95-Y189 AromaticContact CD2-CD2 3.44Å; Y95-Y189 HydrophobicContact CD2-CD2 3.44Å; Y95-Y189 VanDerWaalsContact CD2-CD2 3.44Å; Y95-Y189 AromaticContact CD2-CE2 3.98Å; Y95-Y189 HydrophobicContact CD2-CE2 3.98Å; Y95-Y189 HydrophobicContact CE1-CD2 4.49Å; Y95-Y189 AromaticContact CE2-CD2 3.95Å; Y95-Y189 HydrophobicContact CE2-CD2 3.95Å; Y95-Y189 AromaticContact CG-CD2 3.48Å; Y95-Y189 HydrophobicContact CG-CD2 3.48Å; Y95-Y189 VanDerWaalsContact CG-CD2 3.48Å; Y95-Y189 AromaticContact CG-CE2 3.99Å; Y95-Y189 HydrophobicContact CG-CE2 3.99Å; Y95-Y189 HydrophobicContact CG-CG 4.48Å; Y95-V213 HydrophobicContact CD2-CB 4.26Å; Y95-V213 HydrophobicContact CD2-CG1 4.14Å; Y95-V213 WeakPolarHBondContact CD2-O 3.41Å; Y95-V213 HydrophobicContact CE2-CG1 4.3Å; Y95-T215 HydrophobicContact CE2-CG2 3.87Å
96	R	98.4	Very high	97.5	Very high	123 Å²	123	68.6 Å²	68.6	46%	0.464	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	85.4	173.2	-65.1	-172.9	-178.6	-179.4	10.6	110	E212 V213 N214 T215	R96-E212 WeakPolarHBondContact CD-OE2 3.49Å; R96-E212 IonicContact CZ-OE1 3.55Å; R96-E212 IonicContact CZ-OE2 3.69Å; R96-E212 IonicContact NE-OE1 3.59Å; R96-E212 PolarHBondContact NE-OE1 2.98Å; R96-E212 IonicContact NE-OE2 3.6Å; R96-E212 PolarHBondContact NE-OE2 3.08Å; R96-E212 IonicContact NH1-OE2 2.68Å; R96-E212 PolarHBondContact NH1-OE2 3.48Å; R96-E212 IonicContact NH2-OE1 2.75Å; R96-E212 PolarHBondContact NH2-OE1 3.44Å; R96-E212 IonicContact NH2-OE2 2.83Å; R96-E212 PolarHBondContact NH2-OE2 3.31Å; R96-V213 PolarHBondContact N-O 2.83Å; R96-N214 HydrophobicContact CB-CB 4.05Å; R96-N214 WeakPolarHBondContact O-CA 3.47Å; R96-N214 PolarHBondContact O-OD1 3.02Å; R96-T215 PolarHBondContact O-N 3.07Å
97	P	97.7	Very high	97.5	Very high	72 Å²	72	68.8 Å²	68.8	47%	0.468	32%	0.319	S	S	.	.			trans	-68.4	140.9	177	26.5	-32.5	0	0	0	111.6	Y95 T215	Y95-P97 HydrophobicContact CD1-CG 4.36Å; Y95-P97 HydrophobicContact CE1-CB 3.92Å; Y95-P97 HydrophobicContact CE1-CG 4.1Å; Y95-P97 HydrophobicContact CE2-CB 4.13Å; Y95-P97 WeakPolarHBondContact O-CD 3.34Å; P97-T215 WeakPolarHBondContact CA-OG1 3.37Å
98	R	97.1	Very high	97.5	Very high	73 Å²	73	70.1 Å²	70.1	28%	0.275	33%	0.325	S	S	.	.			trans	-57.9	141	164	-177.7	178	73.7	94.4	15.2	110.3	R61 E100 E104 T215 N216	R61-R98 VanDerWaalsContact NE-CD 3.35Å; R98-E100 PolarHBondContact O-N 2.76Å; R98-E104 IonicContact CZ-OE2 3.31Å; R98-E104 IonicContact NH1-OE2 2.68Å; R98-E104 PolarHBondContact NH1-OE2 2.86Å; R98-T215 PolarHBondContact N-OG1 2.72Å; R98-N216 WeakPolarHBondContact CA-OD1 3.34Å; R98-N216 WeakPolarHBondContact CG-OD1 3.34Å
99	D	96.9	Very high	97.5	Very high	84 Å²	84	65.4 Å²	65.4	45%	0.449	31%	0.307	S	S	.	.			trans	-70.2	109.6	173.4	-173.6	-5.8	0	0	0	110.8	E101 L102	D99-E101 VanDerWaalsContact C-N 3.32Å; D99-E101 WeakPolarHBondContact OD1-CB 3.37Å; D99-E101 PolarHBondContact OD1-N 3.26Å; D99-L102 HydrophobicContact CB-CD1 4.09Å; D99-L102 HydrophobicContact CB-CG 4.15Å; D99-L102 PolarHBondContact O-N 3.12Å
100	E	94.8	Very high	97.5	Very high	60 Å²	60	62.8 Å²	62.8	28%	0.28	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-7.5	179.6	-64	175.7	95.3	0	0	113.8	R98 L102 R103 R180	R98-E100 PolarHBondContact O-N 2.76Å; E100-L102 VanDerWaalsContact C-N 3.33Å; E100-R103 VanDerWaalsContact O-CZ 3.27Å; E100-R103 PolarHBondContact O-NE 2.89Å; E100-R103 PolarHBondContact O-NH2 3.26Å; E100-R180 IonicContact OE1-CZ 2.79Å; E100-R180 IonicContact OE1-NH1 3.73Å; E100-R180 IonicContact OE1-NH2 2.78Å; E100-R180 PolarHBondContact OE1-NH2 2.86Å; E100-R180 IonicContact OE2-CZ 3.67Å; E100-R180 IonicContact OE2-NH1 2.85Å; E100-R180 PolarHBondContact OE2-NH1 3.13Å; E100-R180 IonicContact OE2-NH2 2.69Å; E100-R180 PolarHBondContact OE2-NH2 2.86Å
101	E	95.5	Very high	97.5	Very high	80 Å²	80	67.4 Å²	67.4	37%	0.374	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-27.3	169.8	-71.5	-64.5	127.9	0	0	111.4	D99 R103 R174 R177	D99-E101 VanDerWaalsContact C-N 3.32Å; D99-E101 WeakPolarHBondContact OD1-CB 3.37Å; D99-E101 PolarHBondContact OD1-N 3.26Å; E101-R103 PolarHBondContact O-N 3.38Å; E101-R174 IonicContact OE1-CZ 3.37Å; E101-R174 IonicContact OE1-NH1 3.68Å; E101-R174 PolarHBondContact OE1-NH1 3.25Å; E101-R174 IonicContact OE1-NH2 2.76Å; E101-R174 IonicContact OE2-CZ 2.8Å; E101-R174 IonicContact OE2-NH1 3.48Å; E101-R174 PolarHBondContact OE2-NH1 3.37Å; E101-R174 IonicContact OE2-NH2 3.72Å; E101-R174 PolarHBondContact OE2-NH2 3.35Å; E101-R177 IonicContact OE1-CZ 2.83Å; E101-R177 VanDerWaalsContact OE1-CZ 3.26Å; E101-R177 IonicContact OE1-NH1 3.53Å; E101-R177 PolarHBondContact OE1-NH1 3.17Å; E101-R177 IonicContact OE1-NH2 3.85Å; E101-R177 PolarHBondContact OE1-NH2 3.12Å
102	L	94.9	Very high	97.6	Very high	111 Å²	111	64.4 Å²	64.4	58%	0.581	30%	0.296	S	S	*	.	S	Bend	trans	-72	114.7	175.2	-61.9	179.5	0	0	0	111.2	D99 E100 E104	D99-L102 HydrophobicContact CB-CD1 4.09Å; D99-L102 HydrophobicContact CB-CG 4.15Å; D99-L102 PolarHBondContact O-N 3.12Å; E100-L102 VanDerWaalsContact C-N 3.33Å; L102-E104 PolarHBondContact O-N 2.88Å
103	R	94.4	Very high	97.6	Very high	103 Å²	103	61 Å²	61	39%	0.389	27%	0.273	S	S	.	.			trans	-95.1	87	-178.8	-57.2	-59.1	161.8	159.9	3.8	111.4	E100 E101 R105 E169	E100-R103 VanDerWaalsContact O-CZ 3.27Å; E100-R103 PolarHBondContact O-NE 2.89Å; E100-R103 PolarHBondContact O-NH2 3.26Å; E101-R103 PolarHBondContact O-N 3.38Å; R103-R105 HydrophobicContact CB-CG 4.42Å; R103-R105 PolarHBondContact O-N 3.22Å; R103-E169 IonicContact CZ-OE1 3.94Å; R103-E169 IonicContact CZ-OE2 3.73Å; R103-E169 IonicContact NH1-OE1 3.28Å; R103-E169 PolarHBondContact NH1-OE1 2.97Å; R103-E169 IonicContact NH1-OE2 3.64Å; R103-E169 IonicContact NH2-OE1 2.85Å; R103-E169 PolarHBondContact NH2-OE1 2.67Å; R103-E169 VanDerWaalsContact NH2-OE1 3.1Å; R103-E169 IonicContact NH2-OE2 3.46Å; R103-E169 PolarHBondContact NH2-OE2 2.93Å
104	E	96.2	Very high	97.6	Very high	37 Å²	37	55 Å²	55	17%	0.173	25%	0.246	C	C	.	.			trans	-68.1	-20.4	178.5	-57.1	176.2	119.7	0	0	113.6	R61 R98 L102 L106 D107 H108	R61-E104 WeakPolarHBondContact CG-OE1 3.29Å; R61-E104 IonicContact CZ-OE1 3.11Å; R61-E104 IonicContact CZ-OE2 3.95Å; R61-E104 IonicContact NE-OE1 3.85Å; R61-E104 PolarHBondContact NE-OE1 2.84Å; R61-E104 IonicContact NE-OE2 3.3Å; R61-E104 PolarHBondContact NE-OE2 3Å; R61-E104 IonicContact NH2-OE1 2.78Å; R61-E104 IonicContact NH2-OE2 2.9Å; R61-E104 PolarHBondContact NH2-OE2 3.13Å; R98-E104 IonicContact CZ-OE2 3.31Å; R98-E104 IonicContact NH1-OE2 2.68Å; R98-E104 PolarHBondContact NH1-OE2 2.86Å; L102-E104 PolarHBondContact O-N 2.88Å; E104-L106 PolarHBondContact O-N 2.84Å; E104-L106 VanDerWaalsContact O-N 3.14Å; E104-D107 VanDerWaalsContact O-CB 3.28Å; E104-D107 WeakPolarHBondContact O-CB 3.27Å; E104-D107 PolarHBondContact O-N 3.13Å; E104-H108 IonicContact OE1-CD2 2.69Å; E104-H108 IonicContact OE1-CE1 3.28Å; E104-H108 IonicContact OE1-NE2 3.03Å; E104-H108 PolarHBondContact OE1-NE2 3.15Å
105	R	97.7	Very high	97.6	Very high	93 Å²	93	56.4 Å²	56.4	35%	0.351	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.6	-119	179.8	-56.4	-176.9	-159.4	-155.6	1.9	111.1	R103 W134 P373 Y374 A375 F376	R103-R105 HydrophobicContact CB-CG 4.42Å; R103-R105 PolarHBondContact O-N 3.22Å; R105-W134 PolarHBondContact O-NE1 3.46Å; R105-P373 PolarHBondContact NH1-O 3.35Å; R105-P373 PolarHBondContact NH2-O 2.78Å; R105-P373 VanDerWaalsContact NH2-O 3.09Å; R105-Y374 PolarHBondContact NH1-O 2.99Å; R105-A375 PolarHBondContact NH1-O 3.1Å; R105-F376 VanDerWaalsContact CD-CB 3.48Å
106	L	98.8	Very high	97.5	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101	3.3	178.4	-58.6	-173.6	0	0	0	113.3	E104 H108 L109 L110 W134 Y164 F376	E104-L106 PolarHBondContact O-N 2.84Å; E104-L106 VanDerWaalsContact O-N 3.14Å; L106-H108 PolarHBondContact O-N 3.04Å; L106-H108 VanDerWaalsContact O-N 3.17Å; L106-L109 WeakPolarHBondContact O-CA 3.33Å; L106-L109 WeakPolarHBondContact O-CB 3.47Å; L106-L109 PolarHBondContact O-N 2.98Å; L106-L110 HydrophobicContact CB-CD1 4.04Å; L106-L110 HydrophobicContact CB-CD2 4.46Å; L106-L110 HydrophobicContact CB-CG 3.86Å; L106-L110 WeakPolarHBondContact O-CG 3.46Å; L106-L110 PolarHBondContact O-N 3.11Å; L106-W134 HydrophobicContact CD2-CG 4.22Å; L106-Y164 HydrophobicContact CD1-CD1 4.37Å; L106-F376 HydrophobicContact CD1-CD2 4.17Å; L106-F376 HydrophobicContact CD1-CE2 3.72Å; L106-F376 HydrophobicContact CG-CD2 4.43Å; L106-F376 HydrophobicContact CG-CE2 4.43Å
107	D	98.8	Very high	97.3	Very high	53 Å²	53	54 Å²	54	28%	0.283	25%	0.248	S	C	.	.	H	α-helix	trans	-55.7	-44.7	-160.9	-67.6	1.5	0	0	0	113.4	E104 L109 L110 R111 W380	E104-D107 VanDerWaalsContact O-CB 3.28Å; E104-D107 WeakPolarHBondContact O-CB 3.27Å; E104-D107 PolarHBondContact O-N 3.13Å; D107-L109 PolarHBondContact O-N 2.67Å; D107-L110 PolarHBondContact O-N 3.02Å; D107-R111 WeakPolarHBondContact O-CB 3.41Å; D107-R111 PolarHBondContact O-N 2.9Å; D107-W380 HydrophobicContact CB-CZ2 4.48Å
108	H	98.8	Very high	97	Very high	29 Å²	29	57.7 Å²	57.7	13%	0.134	26%	0.258	C	S	.	.	H	α-helix	trans	-64.4	-38.8	177.6	-62.5	-48.1	0	0	0	112.9	F55 Y63 E104 L106 R111 W112 W134	F55-H108 HydrophobicContact CE2-CB 3.98Å; F55-H108 HydrophobicContact CZ-CB 4.31Å; Y63-H108 HydrophobicContact CD2-CB 4.1Å; Y63-H108 WeakPolarHBondContact CE2-O 3.49Å; E104-H108 IonicContact OE1-CD2 2.69Å; E104-H108 IonicContact OE1-CE1 3.28Å; E104-H108 IonicContact OE1-NE2 3.03Å; E104-H108 PolarHBondContact OE1-NE2 3.15Å; L106-H108 PolarHBondContact O-N 3.04Å; L106-H108 VanDerWaalsContact O-N 3.17Å; H108-R111 PolarHBondContact O-N 3.21Å; H108-W112 PolarHBondContact O-N 2.88Å; H108-W112 VanDerWaalsContact O-N 3.14Å; H108-W134 HydrophobicContact CB-CH2 4.44Å; H108-W134 HydrophobicContact CB-CZ2 4.47Å
109	L	98.9	Very high	96.9	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-70.1	-41.4	175.6	178.8	55.7	0	0	0	111.1	L106 D107 R111 W112 V113 V132 T133 W134 V222 L233	L106-L109 WeakPolarHBondContact O-CA 3.33Å; L106-L109 WeakPolarHBondContact O-CB 3.47Å; L106-L109 PolarHBondContact O-N 2.98Å; D107-L109 PolarHBondContact O-N 2.67Å; L109-R111 PolarHBondContact O-N 2.97Å; L109-W112 WeakPolarHBondContact O-CB 3.44Å; L109-W112 PolarHBondContact O-N 3.05Å; L109-V113 HydrophobicContact CD1-CG2 4.39Å; L109-V113 WeakPolarHBondContact O-CG2 3.25Å; L109-V113 PolarHBondContact O-N 3.42Å; L109-V132 HydrophobicContact CD2-CG1 3.99Å; L109-V132 HydrophobicContact CG-CG1 4.4Å; L109-T133 VanDerWaalsContact CD2-O 3.27Å; L109-T133 WeakPolarHBondContact CD2-O 3.27Å; L109-W134 HydrophobicContact CB-CH2 4.24Å; L109-W134 HydrophobicContact CB-CZ2 4.08Å; L109-V222 HydrophobicContact CD1-CG1 4.15Å; L109-V222 HydrophobicContact CD1-CG2 4.35Å; L109-L233 HydrophobicContact CD1-CD2 3.98Å; L109-L233 HydrophobicContact CG-CD2 4.49Å
110	L	98.9	Very high	96.8	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.2	-35.8	175.9	-66.1	179.9	0	0	0	111.3	L106 D107 V113 L114 Y164 L377 P378 W380 Y381	L106-L110 HydrophobicContact CB-CD1 4.04Å; L106-L110 HydrophobicContact CB-CD2 4.46Å; L106-L110 HydrophobicContact CB-CG 3.86Å; L106-L110 WeakPolarHBondContact O-CG 3.46Å; L106-L110 PolarHBondContact O-N 3.11Å; D107-L110 PolarHBondContact O-N 3.02Å; L110-V113 PolarHBondContact O-N 2.8Å; L110-L114 WeakPolarHBondContact O-CB 3.23Å; L110-L114 PolarHBondContact O-N 3.05Å; L110-Y164 HydrophobicContact CD2-CD1 3.81Å; L110-Y164 HydrophobicContact CD2-CE1 3.57Å; L110-L377 HydrophobicContact CD1-CD2 3.83Å; L110-L377 HydrophobicContact CD2-CD2 4.22Å; L110-P378 HydrophobicContact CD1-CG 4.2Å; L110-W380 HydrophobicContact CB-CH2 3.65Å; L110-W380 HydrophobicContact CB-CZ2 4.28Å; L110-Y381 HydrophobicContact CB-CD2 3.83Å; L110-Y381 HydrophobicContact CB-CE2 4.1Å; L110-Y381 HydrophobicContact CB-CG 4.2Å; L110-Y381 HydrophobicContact CD1-CD1 4.41Å; L110-Y381 HydrophobicContact CD1-CG 4.35Å; L110-Y381 HydrophobicContact CD2-CD1 4.27Å; L110-Y381 HydrophobicContact CD2-CD2 4.41Å; L110-Y381 HydrophobicContact CD2-CE1 3.95Å; L110-Y381 HydrophobicContact CD2-CE2 4.1Å; L110-Y381 HydrophobicContact CD2-CG 4.48Å; L110-Y381 WeakPolarHBondContact O-CE2 3.31Å
111	R	98.8	Very high	96.6	Very high	109 Å²	109	60.7 Å²	60.7	41%	0.411	27%	0.273	S	S	.	.	H	α-helix	trans	-64.2	-47.2	175	178.4	171.8	177.6	173.6	-2.7	110.6	Y63 D107 H108 L109 V113 L114 E115 W380	Y63-R111 HydrophobicContact CD1-CG 4.24Å; Y63-R111 VanDerWaalsContact CD1-CZ 3.5Å; Y63-R111 VanDerWaalsContact CD1-NE 3.29Å; Y63-R111 HydrophobicContact CE1-CG 4.06Å; Y63-R111 HydrophobicContact CE2-CG 4.49Å; D107-R111 WeakPolarHBondContact O-CB 3.41Å; D107-R111 PolarHBondContact O-N 2.9Å; H108-R111 PolarHBondContact O-N 3.21Å; L109-R111 PolarHBondContact O-N 2.97Å; R111-V113 VanDerWaalsContact C-N 3.35Å; R111-V113 PolarHBondContact O-N 3.05Å; R111-L114 PolarHBondContact O-N 3.47Å; R111-E115 WeakPolarHBondContact CG-OE1 3.42Å; R111-E115 IonicContact CZ-OE1 3.26Å; R111-E115 IonicContact NE-OE1 2.66Å; R111-E115 PolarHBondContact NE-OE1 2.95Å; R111-E115 IonicContact NH2-OE1 2.96Å; R111-E115 WeakPolarHBondContact O-CG 3.26Å; R111-E115 PolarHBondContact O-N 2.97Å; R111-W380 HydrophobicContact CB-CH2 4.1Å
112	W	98.8	Very high	96.3	Very high	2 Å²	2	59 Å²	59	1%	0.008	28%	0.277	C	S	.	.	H	α-helix	trans	-58.1	-47	174.4	-173.7	92	0	0	0	111.6	L52 C54 F55 Y63 H108 L109 L114 E115 H116 L120 V222 L233	L52-W112 HydrophobicContact CB-CH2 3.64Å; L52-W112 HydrophobicContact CB-CZ2 4.06Å; L52-W112 HydrophobicContact CD1-CH2 4.16Å; C54-W112 PolarHBondContact O-NE1 3.25Å; F55-W112 HydrophobicContact CD1-CB 4.06Å; F55-W112 AromaticContact CD1-CD1 3.88Å; F55-W112 HydrophobicContact CD1-CG 4.12Å; F55-W112 HydrophobicContact CE1-CB 4.42Å; Y63-W112 HydrophobicContact CE2-CB 4.49Å; Y63-W112 WeakPolarHBondContact OH-CA 3.43Å; Y63-W112 VanDerWaalsContact OH-CB 3.29Å; Y63-W112 WeakPolarHBondContact OH-CB 3.34Å; H108-W112 PolarHBondContact O-N 2.88Å; H108-W112 VanDerWaalsContact O-N 3.14Å; L109-W112 WeakPolarHBondContact O-CB 3.44Å; L109-W112 PolarHBondContact O-N 3.05Å; W112-L114 VanDerWaalsContact C-N 3.31Å; W112-L114 PolarHBondContact O-N 2.93Å; W112-E115 PolarHBondContact O-N 2.81Å; W112-H116 AromaticContact CD1-CE1 3.62Å; W112-H116 AromaticContact CD1-ND1 3.73Å; W112-H116 AromaticContact CD2-ND1 3.71Å; W112-H116 AromaticContact CE2-CE1 3.82Å; W112-H116 AromaticContact CE2-CG 3.79Å; W112-H116 AromaticContact CE2-ND1 3.55Å; W112-H116 HydrophobicContact CE3-CB 4.41Å; W112-H116 AromaticContact CG-ND1 3.84Å; W112-H116 HydrophobicContact CH2-CB 3.99Å; W112-H116 HydrophobicContact CZ2-CB 4.13Å; W112-H116 AromaticContact CZ2-CG 3.81Å; W112-H116 HydrophobicContact CZ3-CB 4.15Å; W112-H116 AromaticContact NE1-CE1 3.38Å; W112-H116 PolarHBondContact NE1-CE1 3.28Å; W112-H116 AromaticContact NE1-ND1 3.56Å; W112-H116 AromaticContact NE1-NE2 3.83Å; W112-H116 PolarHBondContact O-N 3.05Å; W112-H116 PolarHBondContact O-ND1 2.85Å; W112-L120 HydrophobicContact CH2-CD2 4.01Å; W112-L120 HydrophobicContact CZ3-CD2 3.89Å; W112-V222 HydrophobicContact CD2-CB 4.11Å; W112-V222 HydrophobicContact CD2-CG1 4Å; W112-V222 HydrophobicContact CD2-CG2 3.72Å; W112-V222 HydrophobicContact CE3-CB 4.28Å; W112-V222 HydrophobicContact CE3-CG1 3.65Å; W112-V222 HydrophobicContact CE3-CG2 4.22Å; W112-V222 HydrophobicContact CG-CG2 3.87Å; W112-V222 HydrophobicContact CH2-CB 4.26Å; W112-V222 HydrophobicContact CH2-CG1 3.85Å; W112-V222 HydrophobicContact CZ2-CB 4.06Å; W112-V222 HydrophobicContact CZ2-CG1 4.15Å; W112-V222 HydrophobicContact CZ2-CG2 4.42Å; W112-V222 HydrophobicContact CZ3-CB 4.36Å; W112-V222 HydrophobicContact CZ3-CG1 3.58Å; W112-L233 HydrophobicContact CZ3-CD1 4.31Å
113	V	98.6	Very high	96	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-59.6	-45	178.7	170.2	0	0	0	0	110.3	L109 L110 R111 E115 H116 R117 L127 L233 Y381	L109-V113 HydrophobicContact CD1-CG2 4.39Å; L109-V113 WeakPolarHBondContact O-CG2 3.25Å; L109-V113 PolarHBondContact O-N 3.42Å; L110-V113 PolarHBondContact O-N 2.8Å; R111-V113 VanDerWaalsContact C-N 3.35Å; R111-V113 PolarHBondContact O-N 3.05Å; V113-E115 PolarHBondContact O-N 2.88Å; V113-H116 CarbonylContact O-C 3.58Å; V113-H116 PolarHBondContact O-N 2.85Å; V113-R117 WeakPolarHBondContact O-CA 3.39Å; V113-R117 WeakPolarHBondContact O-CB 3.41Å; V113-R117 PolarHBondContact O-N 2.8Å; V113-L127 HydrophobicContact CG1-CD2 3.99Å; V113-L233 HydrophobicContact CG2-CD1 4.32Å; V113-L233 HydrophobicContact CG2-CD2 3.79Å; V113-Y381 HydrophobicContact CB-CE2 4.47Å; V113-Y381 HydrophobicContact CG1-CE2 4.26Å; V113-Y381 WeakPolarHBondContact CG1-OH 3.44Å
114	L	98.1	Very high	95.7	Very high	28 Å²	28	57.7 Å²	57.7	15%	0.147	30%	0.297	C	S	.	.	H	α-helix	trans	-59.7	-50	178.2	-169.9	67.2	0	0	0	110.2	L110 R111 W112 H116 R117 W380 Y381 A384 M385	L110-L114 WeakPolarHBondContact O-CB 3.23Å; L110-L114 PolarHBondContact O-N 3.05Å; R111-L114 PolarHBondContact O-N 3.47Å; W112-L114 VanDerWaalsContact C-N 3.31Å; W112-L114 PolarHBondContact O-N 2.93Å; L114-H116 PolarHBondContact O-N 3.11Å; L114-R117 WeakPolarHBondContact O-CD 3.46Å; L114-R117 WeakPolarHBondContact O-CG 3.47Å; L114-R117 PolarHBondContact O-NH1 3.14Å; L114-W380 HydrophobicContact CB-CZ3 4.45Å; L114-W380 HydrophobicContact CD2-CE3 3.9Å; L114-W380 HydrophobicContact CD2-CZ3 3.79Å; L114-Y381 HydrophobicContact CB-CD2 4.17Å; L114-Y381 HydrophobicContact CB-CE2 4.22Å; L114-Y381 HydrophobicContact CD1-CD2 4.38Å; L114-A384 HydrophobicContact CD1-CB 3.61Å; L114-A384 HydrophobicContact CD2-CB 3.84Å; L114-A384 HydrophobicContact CG-CB 4.35Å; L114-M385 HydrophobicContact CD1-CG 4.08Å; L114-M385 HydrophobicContact CD1-SD 3.92Å
115	E	98	Very high	95.4	Very high	85 Å²	85	58.6 Å²	58.6	40%	0.397	32%	0.316	S	S	.	.	H	α-helix	trans	-61.2	-26.1	179.8	-69.4	172.2	-170	0	0	113.5	R111 W112 V113	R111-E115 WeakPolarHBondContact CG-OE1 3.42Å; R111-E115 IonicContact CZ-OE1 3.26Å; R111-E115 IonicContact NE-OE1 2.66Å; R111-E115 PolarHBondContact NE-OE1 2.95Å; R111-E115 IonicContact NH2-OE1 2.96Å; R111-E115 WeakPolarHBondContact O-CG 3.26Å; R111-E115 PolarHBondContact O-N 2.97Å; W112-E115 PolarHBondContact O-N 2.81Å; V113-E115 PolarHBondContact O-N 2.88Å
116	H	97.7	Very high	95.4	Very high	46 Å²	46	55.8 Å²	55.8	21%	0.213	31%	0.306	C	S	.	.	H	α-helix	trans	-115.2	2.1	-173.2	-60.8	79.5	0	0	0	115	W112 V113 L114 H118 Q119 L120	W112-H116 AromaticContact CD1-CE1 3.62Å; W112-H116 AromaticContact CD1-ND1 3.73Å; W112-H116 AromaticContact CD2-ND1 3.71Å; W112-H116 AromaticContact CE2-CE1 3.82Å; W112-H116 AromaticContact CE2-CG 3.79Å; W112-H116 AromaticContact CE2-ND1 3.55Å; W112-H116 HydrophobicContact CE3-CB 4.41Å; W112-H116 AromaticContact CG-ND1 3.84Å; W112-H116 HydrophobicContact CH2-CB 3.99Å; W112-H116 HydrophobicContact CZ2-CB 4.13Å; W112-H116 AromaticContact CZ2-CG 3.81Å; W112-H116 HydrophobicContact CZ3-CB 4.15Å; W112-H116 AromaticContact NE1-CE1 3.38Å; W112-H116 PolarHBondContact NE1-CE1 3.28Å; W112-H116 AromaticContact NE1-ND1 3.56Å; W112-H116 AromaticContact NE1-NE2 3.83Å; W112-H116 PolarHBondContact O-N 3.05Å; W112-H116 PolarHBondContact O-ND1 2.85Å; V113-H116 CarbonylContact O-C 3.58Å; V113-H116 PolarHBondContact O-N 2.85Å; L114-H116 PolarHBondContact O-N 3.11Å; H116-H118 PolarHBondContact O-N 3.18Å; H116-Q119 WeakPolarHBondContact O-CA 3.17Å; H116-Q119 PolarHBondContact O-N 2.91Å; H116-L120 PolarHBondContact O-N 2.92Å
117	R	93.4	Very high	95.3	Very high	70 Å²	70	56.8 Å²	56.8	26%	0.264	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-31.7	-171	64.8	-162.1	-176.5	-98.4	7.2	115.6	V113 L114 D388	V113-R117 WeakPolarHBondContact O-CA 3.39Å; V113-R117 WeakPolarHBondContact O-CB 3.41Å; V113-R117 PolarHBondContact O-N 2.8Å; L114-R117 WeakPolarHBondContact O-CD 3.46Å; L114-R117 WeakPolarHBondContact O-CG 3.47Å; L114-R117 PolarHBondContact O-NH1 3.14Å; R117-D388 IonicContact CZ-OD2 3.45Å; R117-D388 IonicContact NE-OD2 2.69Å; R117-D388 PolarHBondContact NE-OD2 2.92Å; R117-D388 IonicContact NH2-OD1 3.25Å; R117-D388 IonicContact NH2-OD2 3.06Å; R117-D388 PolarHBondContact NH2-OD2 2.74Å
118	H	92.8	Very high	95.2	Very high	148 Å²	148	56.2 Å²	56.2	69%	0.685	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-7.3	177.8	-55.6	-62	0	0	0	114	H116 D388	H116-H118 PolarHBondContact O-N 3.18Å; H118-D388 IonicContact CE1-OD2 3.33Å; H118-D388 PolarHBondContact CE1-OD2 2.9Å; H118-D388 IonicContact NE2-OD2 3.63Å; H118-D388 PolarHBondContact NE2-OD2 3.05Å
119	Q	93.7	Very high	95.1	Very high	149 Å²	149	56.8 Å²	56.8	70%	0.696	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.9	0.5	-176.7	-56.7	173.7	26.5	0	0	111.9	H116 E121	H116-Q119 WeakPolarHBondContact O-CA 3.17Å; H116-Q119 PolarHBondContact O-N 2.91Å; Q119-E121 PolarHBondContact O-N 3.37Å
120	L	94.8	Very high	95.1	Very high	32 Å²	32	56.8 Å²	56.8	17%	0.168	33%	0.327	C	S	.	.			trans	-63.9	129.9	-179.9	-65.2	179.4	0	0	0	111.2	L52 W112 H116 L127 L233	L52-L120 HydrophobicContact CD1-CD2 4.13Å; W112-L120 HydrophobicContact CH2-CD2 4.01Å; W112-L120 HydrophobicContact CZ3-CD2 3.89Å; H116-L120 PolarHBondContact O-N 2.92Å; L120-L127 HydrophobicContact CD1-CB 4.13Å; L120-L127 HydrophobicContact CD1-CD1 4.29Å; L120-L127 HydrophobicContact CD1-CD2 3.95Å; L120-L127 HydrophobicContact CD1-CG 4.35Å; L120-L233 HydrophobicContact CD1-CD1 4.49Å; L120-L233 HydrophobicContact CD2-CD1 4.18Å
121	E	91.8	Very high	95.1	Very high	99 Å²	99	56.8 Å²	56.8	46%	0.463	33%	0.327	S	S	.	.	S	Bend	trans	-67.8	159.9	172.3	-57.6	-179.5	172.4	0	0	112.4	L52 Q119 R224	L52-E121 HydrophobicContact CD2-CB 4.44Å; L52-E121 HydrophobicContact CD2-CG 4.18Å; Q119-E121 PolarHBondContact O-N 3.37Å; E121-R224 IonicContact OE2-NH1 3.45Å; E121-R224 PolarHBondContact OE2-NH1 2.76Å
122	G	89	Confident	95.1	Very high	44 Å²	44	51.6 Å²	51.6	45%	0.454	31%	0.308	S	S	.	.	S	Bend	trans	108.1	-3.6	174.6	0	0	0	0	0	115.3
123	G	88.6	Confident	95.2	Very high	44 Å²	44	51.6 Å²	51.6	45%	0.454	31%	0.308	S	S	.	.	S	Bend	trans	89.1	174.2	175.7	0	0	0	0	0	113.5	G125 W126	G123-G125 PolarHBondContact O-N 3.36Å; G123-W126 WeakPolarHBondContact O-CB 3.48Å; G123-W126 PolarHBondContact O-N 3.37Å
124	P	86.8	Confident	95.2	Very high	143 Å²	143	53.8 Å²	53.8	93%	0.929	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	133.1	-179.2	-25.5	34.7	0	0	0	112.1	W126	P124-W126 VanDerWaalsContact C-N 3.27Å; P124-W126 PolarHBondContact O-N 3.46Å
125	G	90.6	Very high	95.2	Very high	57 Å²	57	53 Å²	53	59%	0.588	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	4.6	177	0	0	0	0	0	115.6	G123 L127 A128	G123-G125 PolarHBondContact O-N 3.36Å; G125-L127 VanDerWaalsContact C-N 3.31Å; G125-L127 PolarHBondContact O-N 3.09Å; G125-A128 WeakPolarHBondContact O-CB 3.42Å; G125-A128 PolarHBondContact O-N 2.84Å; G125-A128 VanDerWaalsContact O-N 3.16Å
126	W	97.4	Very high	95.2	Very high	34 Å²	34	50.7 Å²	50.7	13%	0.129	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-44	178.9	176.2	78	0	0	0	112.7	G123 P124 A128 G129 A130 R224 P231 L233	G123-W126 WeakPolarHBondContact O-CB 3.48Å; G123-W126 PolarHBondContact O-N 3.37Å; P124-W126 VanDerWaalsContact C-N 3.27Å; P124-W126 PolarHBondContact O-N 3.46Å; W126-A128 VanDerWaalsContact C-N 3.33Å; W126-A128 PolarHBondContact O-N 2.86Å; W126-G129 PolarHBondContact O-N 3.47Å; W126-A130 HydrophobicContact CH2-CB 4.37Å; W126-A130 HydrophobicContact CZ2-CB 4.38Å; W126-A130 PolarHBondContact O-N 3.3Å; W126-R224 VanDerWaalsContact CE2-NE 3.32Å; W126-R224 HydrophobicContact CH2-CG 3.84Å; W126-R224 HydrophobicContact CZ2-CG 3.58Å; W126-R224 VanDerWaalsContact CZ2-NE 3.34Å; W126-P231 HydrophobicContact CZ2-CB 4.16Å; W126-L233 HydrophobicContact CH2-CB 3.95Å; W126-L233 HydrophobicContact CH2-CD1 4.29Å; W126-L233 HydrophobicContact CZ3-CB 4.36Å; W126-L233 HydrophobicContact CZ3-CD1 3.98Å
127	L	97.6	Very high	95.3	Very high	20 Å²	20	49.3 Å²	49.3	11%	0.105	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-62.1	-39.5	179.3	-176	62.1	0	0	0	112	V113 L120 G125 G129 A130 V132 T162 L233 M385	V113-L127 HydrophobicContact CG1-CD2 3.99Å; L120-L127 HydrophobicContact CD1-CB 4.13Å; L120-L127 HydrophobicContact CD1-CD1 4.29Å; L120-L127 HydrophobicContact CD1-CD2 3.95Å; L120-L127 HydrophobicContact CD1-CG 4.35Å; G125-L127 VanDerWaalsContact C-N 3.31Å; G125-L127 PolarHBondContact O-N 3.09Å; L127-G129 PolarHBondContact O-N 2.98Å; L127-G129 VanDerWaalsContact O-N 3.1Å; L127-A130 WeakPolarHBondContact O-CB 3.33Å; L127-A130 PolarHBondContact O-N 3.21Å; L127-V132 HydrophobicContact CD1-CG2 3.83Å; L127-T162 HydrophobicContact CD1-CG2 4.09Å; L127-T162 HydrophobicContact CG-CG2 4.29Å; L127-T162 PolarHBondContact O-OG1 2.87Å; L127-L233 HydrophobicContact CD1-CD1 4.33Å; L127-M385 HydrophobicContact CD2-CE 4.24Å
128	A	97.2	Very high	95.6	Very high	42 Å²	42	46 Å²	46	35%	0.347	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-62	-20	178.8	0	0	0	0	0	113.5	G125 W126 Q160 G161 T162	G125-A128 WeakPolarHBondContact O-CB 3.42Å; G125-A128 PolarHBondContact O-N 2.84Å; G125-A128 VanDerWaalsContact O-N 3.16Å; W126-A128 VanDerWaalsContact C-N 3.33Å; W126-A128 PolarHBondContact O-N 2.86Å; A128-Q160 WeakPolarHBondContact CA-O 3.41Å; A128-Q160 WeakPolarHBondContact CB-O 3.17Å; A128-G161 CarbonylContact O-C 3.59Å; A128-G161 VanDerWaalsContact O-CA 3.31Å; A128-G161 WeakPolarHBondContact O-CA 3.32Å; A128-T162 PolarHBondContact O-N 2.89Å
129	G	96.8	Very high	95.9	Very high	40 Å²	40	40 Å²	40	41%	0.412	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-98.3	-1.6	172.9	0	0	0	0	0	114.5	W126 L127 P231	W126-G129 PolarHBondContact O-N 3.47Å; L127-G129 PolarHBondContact O-N 2.98Å; L127-G129 VanDerWaalsContact O-N 3.1Å; G129-P231 WeakPolarHBondContact O-CD 3.49Å
130	A	98.7	Very high	96.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	25%	0.246	C	C	.	.	S	Bend	trans	-94.7	161.8	-173.1	0	0	0	0	0	113	W126 L127 L163 P231	W126-A130 HydrophobicContact CH2-CB 4.37Å; W126-A130 HydrophobicContact CZ2-CB 4.38Å; W126-A130 PolarHBondContact O-N 3.3Å; L127-A130 WeakPolarHBondContact O-CB 3.33Å; L127-A130 PolarHBondContact O-N 3.21Å; A130-L163 PolarHBondContact O-N 3.4Å; A130-P231 WeakPolarHBondContact CA-O 3.49Å; A130-P231 HydrophobicContact CB-CB 4.07Å
131	T	98.9	Very high	96.3	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.006	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	127.4	163.9	-57.8	0	0	0	0	109.7	L163 L165 P231 L233 L338 Q342	T131-L163 CarbonylContact C-O 3.5Å; T131-L163 WeakPolarHBondContact CA-O 3.42Å; T131-L163 HydrophobicContact CG2-CB 4.5Å; T131-L163 HydrophobicContact CG2-CD2 4.38Å; T131-L163 HydrophobicContact CG2-CG 4.44Å; T131-L165 HydrophobicContact CG2-CD1 3.73Å; T131-L165 HydrophobicContact CG2-CG 3.89Å; T131-P231 PolarHBondContact N-O 2.6Å; T131-L233 PolarHBondContact O-N 3.39Å; T131-L338 HydrophobicContact CG2-CD2 4.08Å; T131-Q342 PolarHBondContact OG1-NE2 2.97Å
132	V	98.9	Very high	96.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	125.4	179.6	177.7	0	0	0	0	110.6	L109 L127 T162 L163 Y164 L165 L233	L109-V132 HydrophobicContact CD2-CG1 3.99Å; L109-V132 HydrophobicContact CG-CG1 4.4Å; L127-V132 HydrophobicContact CD1-CG2 3.83Å; V132-T162 HydrophobicContact CB-CG2 4.35Å; V132-T162 HydrophobicContact CG2-CG2 3.52Å; V132-L163 PolarHBondContact N-O 3.32Å; V132-Y164 HydrophobicContact CB-CD1 3.62Å; V132-Y164 HydrophobicContact CB-CE1 3.8Å; V132-Y164 HydrophobicContact CB-CG 4.4Å; V132-Y164 HydrophobicContact CG1-CD1 3.81Å; V132-Y164 HydrophobicContact CG1-CE1 3.94Å; V132-Y164 HydrophobicContact CG2-CD1 4.3Å; V132-Y164 HydrophobicContact CG2-CE1 3.99Å; V132-Y164 WeakPolarHBondContact O-CA 3.38Å; V132-L165 PolarHBondContact O-N 2.54Å; V132-L233 VanDerWaalsContact CA-O 3.27Å; V132-L233 WeakPolarHBondContact CA-O 3.45Å; V132-L233 HydrophobicContact CG1-CD2 4.09Å; V132-L233 HydrophobicContact CG2-CB 4.2Å; V132-L233 HydrophobicContact CG2-CD2 4.36Å
133	T	98.9	Very high	97.1	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.1	177.9	-178.7	-164.8	0	0	0	0	113.4	L109 H137 L138 L165 L233 F234 S235	L109-T133 VanDerWaalsContact CD2-O 3.27Å; L109-T133 WeakPolarHBondContact CD2-O 3.27Å; T133-H137 PolarHBondContact OG1-CD2 2.82Å; T133-H137 VanDerWaalsContact OG1-CD2 3.25Å; T133-L138 HydrophobicContact CG2-CD1 3.97Å; T133-L138 HydrophobicContact CG2-CD2 3.85Å; T133-L138 HydrophobicContact CG2-CG 3.64Å; T133-L165 WeakPolarHBondContact CB-O 3.15Å; T133-L165 PolarHBondContact OG1-O 3.01Å; T133-L233 PolarHBondContact N-O 2.99Å; T133-F234 HydrophobicContact CG2-CB 4.31Å; T133-F234 WeakPolarHBondContact O-CA 3.27Å; T133-F234 WeakPolarHBondContact O-CB 3.47Å; T133-S235 PolarHBondContact O-N 2.7Å
134	W	98.9	Very high	97.6	Very high	46 Å²	46	26.4 Å²	26.4	17%	0.174	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	146.5	166.7	-70.4	111.7	0	0	0	112.1	F55 R105 L106 H108 L109 G136 H137 L138	F55-W134 HydrophobicContact CE2-CH2 4.33Å; F55-W134 AromaticContact CZ-CH2 3.67Å; F55-W134 HydrophobicContact CZ-CH2 3.67Å; F55-W134 AromaticContact CZ-CZ3 3.99Å; F55-W134 HydrophobicContact CZ-CZ3 3.99Å; R105-W134 PolarHBondContact O-NE1 3.46Å; L106-W134 HydrophobicContact CD2-CG 4.22Å; H108-W134 HydrophobicContact CB-CH2 4.44Å; H108-W134 HydrophobicContact CB-CZ2 4.47Å; L109-W134 HydrophobicContact CB-CH2 4.24Å; L109-W134 HydrophobicContact CB-CZ2 4.08Å; W134-G136 PolarHBondContact O-N 2.79Å; W134-H137 AromaticContact CD1-CE1 3.9Å; W134-H137 AromaticContact CD1-NE2 3.53Å; W134-H137 WeakPolarHBondContact O-CB 3.5Å; W134-H137 PolarHBondContact O-N 2.97Å; W134-L138 PolarHBondContact O-N 2.9Å
135	R	98.9	Very high	98.2	Very high	13 Å²	13	20.2 Å²	20.2	5%	0.049	14%	0.136	C	C	.	.	H	α-helix	trans	-51.2	-42.8	172.2	-174.5	-84.3	-57.6	-83	-7.7	111.6	H137 L138 T139 F234 S235 E237 E256 Q283 L286	R135-H137 VanDerWaalsContact C-N 3.26Å; R135-H137 PolarHBondContact O-N 2.99Å; R135-L138 WeakPolarHBondContact O-CB 3.46Å; R135-L138 PolarHBondContact O-N 2.98Å; R135-T139 WeakPolarHBondContact CD-OG1 3.25Å; R135-T139 PolarHBondContact O-N 2.91Å; R135-T139 PolarHBondContact O-OG1 3.38Å; R135-F234 HydrophobicContact CB-CD2 3.86Å; R135-F234 HydrophobicContact CB-CE2 4.29Å; R135-F234 HydrophobicContact CG-CD2 4.25Å; R135-F234 HydrophobicContact CG-CE2 4.2Å; R135-S235 VanDerWaalsContact CB-O 3.27Å; R135-S235 WeakPolarHBondContact CB-O 3.34Å; R135-S235 PolarHBondContact N-O 3.47Å; R135-E237 PolarHBondContact NH2-O 2.79Å; R135-E256 IonicContact NH1-OE2 2.8Å; R135-Q283 WeakPolarHBondContact CD-O 3.17Å; R135-Q283 VanDerWaalsContact CZ-CG 3.42Å; R135-Q283 PolarHBondContact NH1-O 3Å; R135-L286 HydrophobicContact CG-CB 4.22Å; R135-L286 HydrophobicContact CG-CD1 4.38Å
136	G	98.8	Very high	98.6	Very high	35 Å²	35	20.2 Å²	20.2	36%	0.361	12%	0.119	S	C	.	.	H	α-helix	trans	-60.6	-32	-180	0	0	0	0	0	113.8	W134 T139 K140	W134-G136 PolarHBondContact O-N 2.79Å; G136-T139 PolarHBondContact O-N 2.77Å; G136-K140 PolarHBondContact O-N 3.25Å; G136-K140 VanDerWaalsContact O-N 3.13Å
137	H	98.9	Very high	98.6	Very high	18 Å²	18	20 Å²	20	8%	0.083	12%	0.119	C	C	.	.	H	α-helix	trans	-70.1	-43.6	176.7	-56.5	-6.1	0	0	0	110.6	T133 W134 R135 T139 K140 L141 L154 L165 E167	T133-H137 PolarHBondContact OG1-CD2 2.82Å; T133-H137 VanDerWaalsContact OG1-CD2 3.25Å; W134-H137 AromaticContact CD1-CE1 3.9Å; W134-H137 AromaticContact CD1-NE2 3.53Å; W134-H137 WeakPolarHBondContact O-CB 3.5Å; W134-H137 PolarHBondContact O-N 2.97Å; R135-H137 VanDerWaalsContact C-N 3.26Å; R135-H137 PolarHBondContact O-N 2.99Å; H137-T139 VanDerWaalsContact C-N 3.32Å; H137-T139 PolarHBondContact O-N 3.03Å; H137-K140 PolarHBondContact O-N 2.91Å; H137-L141 PolarHBondContact O-N 3.04Å; H137-L154 HydrophobicContact CB-CD2 4Å; H137-L165 PolarHBondContact CD2-O 2.78Å; H137-E167 PolarHBondContact CD2-N 3.39Å; H137-E167 WeakPolarHBondContact CE1-CB 3.27Å; H137-E167 IonicContact CE1-OE2 3.75Å; H137-E167 IonicContact ND1-OE2 2.85Å; H137-E167 PolarHBondContact NE2-N 3.31Å
138	L	98.9	Very high	98.7	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-62.4	-38.5	172.9	-63.2	177.2	0	0	0	111.7	T133 W134 R135 K140 L141 L142 L232 F234 L286	T133-L138 HydrophobicContact CG2-CD1 3.97Å; T133-L138 HydrophobicContact CG2-CD2 3.85Å; T133-L138 HydrophobicContact CG2-CG 3.64Å; W134-L138 PolarHBondContact O-N 2.9Å; R135-L138 WeakPolarHBondContact O-CB 3.46Å; R135-L138 PolarHBondContact O-N 2.98Å; L138-K140 VanDerWaalsContact C-N 3.33Å; L138-K140 PolarHBondContact O-N 3.43Å; L138-L141 HydrophobicContact CD2-CD1 4.21Å; L138-L141 WeakPolarHBondContact O-CB 3.45Å; L138-L141 PolarHBondContact O-N 3.47Å; L138-L141 VanDerWaalsContact O-N 3.17Å; L138-L142 WeakPolarHBondContact O-CD1 3.33Å; L138-L142 PolarHBondContact O-N 3.33Å; L138-L232 HydrophobicContact CD1-CD1 4.32Å; L138-F234 HydrophobicContact CD1-CB 4.23Å; L138-F234 HydrophobicContact CD1-CD1 4.06Å; L138-F234 HydrophobicContact CD1-CG 4Å; L138-L286 HydrophobicContact CB-CD1 3.59Å; L138-L286 HydrophobicContact CB-CD2 4.32Å; L138-L286 HydrophobicContact CD1-CD2 4.49Å
139	T	98.9	Very high	98.7	Very high	21 Å²	21	34.3 Å²	34.3	13%	0.129	17%	0.169	C	C	.	.	H	α-helix	trans	-59.1	-43.4	175	-60.6	0	0	0	0	111.6	R135 G136 H137 L141 L142 T143 A282 Q283	R135-T139 WeakPolarHBondContact CD-OG1 3.25Å; R135-T139 PolarHBondContact O-N 2.91Å; R135-T139 PolarHBondContact O-OG1 3.38Å; G136-T139 PolarHBondContact O-N 2.77Å; H137-T139 VanDerWaalsContact C-N 3.32Å; H137-T139 PolarHBondContact O-N 3.03Å; T139-L141 VanDerWaalsContact C-N 3.32Å; T139-L141 PolarHBondContact O-N 3.22Å; T139-L142 PolarHBondContact O-N 3.39Å; T139-T143 WeakPolarHBondContact O-CG2 3.25Å; T139-T143 PolarHBondContact O-N 3.42Å; T139-T143 PolarHBondContact O-OG1 2.72Å; T139-A282 HydrophobicContact CG2-CB 3.94Å; T139-Q283 HydrophobicContact CG2-CB 4.34Å
140	K	98.9	Very high	98.7	Very high	71 Å²	71	37.3 Å²	37.3	31%	0.309	17%	0.173	S	C	.	.	H	α-helix	trans	-60.4	-41.4	175	-71.5	-172.4	176	-171.1	0	112.2	G136 H137 L138 T143 T144 W152 E167	G136-K140 PolarHBondContact O-N 3.25Å; G136-K140 VanDerWaalsContact O-N 3.13Å; H137-K140 PolarHBondContact O-N 2.91Å; L138-K140 VanDerWaalsContact C-N 3.33Å; L138-K140 PolarHBondContact O-N 3.43Å; K140-T143 PolarHBondContact O-N 3.04Å; K140-T143 PolarHBondContact O-OG1 3.47Å; K140-T144 PolarHBondContact O-N 2.8Å; K140-T144 PolarHBondContact O-OG1 3.01Å; K140-W152 HydrophobicContact CD-CB 4.29Å; K140-E167 WeakPolarHBondContact CD-OE1 3.25Å; K140-E167 WeakPolarHBondContact CE-OE1 3.5Å; K140-E167 VanDerWaalsContact NZ-CD 3.3Å; K140-E167 IonicContact NZ-OE1 2.62Å; K140-E167 PolarHBondContact NZ-OE1 2.88Å; K140-E167 IonicContact NZ-OE2 3.55Å; K140-E167 PolarHBondContact NZ-OE2 3.27Å
141	L	98.9	Very high	98.7	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-59.8	-51.6	173.5	-64.8	176.7	0	0	0	111	H137 L138 T139 T143 T144 W152 L154 F333 C334 F337	H137-L141 PolarHBondContact O-N 3.04Å; L138-L141 HydrophobicContact CD2-CD1 4.21Å; L138-L141 WeakPolarHBondContact O-CB 3.45Å; L138-L141 PolarHBondContact O-N 3.47Å; L138-L141 VanDerWaalsContact O-N 3.17Å; T139-L141 VanDerWaalsContact C-N 3.32Å; T139-L141 PolarHBondContact O-N 3.22Å; L141-T143 PolarHBondContact O-N 3.2Å; L141-T144 VanDerWaalsContact O-CB 3.32Å; L141-T144 WeakPolarHBondContact O-CB 3.45Å; L141-T144 PolarHBondContact O-N 2.82Å; L141-T144 VanDerWaalsContact O-N 3.11Å; L141-T144 PolarHBondContact O-OG1 2.96Å; L141-W152 HydrophobicContact CD2-CH2 3.76Å; L141-W152 HydrophobicContact CD2-CZ2 3.73Å; L141-W152 HydrophobicContact CD2-CZ3 4.47Å; L141-L154 HydrophobicContact CD1-CD1 4.31Å; L141-L154 HydrophobicContact CD2-CD1 3.74Å; L141-L154 HydrophobicContact CG-CD1 4.08Å; L141-F333 HydrophobicContact CB-CE1 4.46Å; L141-F333 HydrophobicContact CD2-CE1 4.38Å; L141-F333 WeakPolarHBondContact O-CD1 3.35Å; L141-F333 VanDerWaalsContact O-CE1 3.24Å; L141-F333 WeakPolarHBondContact O-CE1 3.34Å; L141-C334 HydrophobicContact CB-CB 4.43Å; L141-F337 HydrophobicContact CD1-CD1 3.39Å; L141-F337 HydrophobicContact CD1-CE1 3.67Å; L141-F337 HydrophobicContact CD1-CG 4.13Å; L141-F337 HydrophobicContact CD2-CB 4.39Å; L141-F337 HydrophobicContact CD2-CD1 3.68Å; L141-F337 HydrophobicContact CD2-CD2 3.86Å; L141-F337 HydrophobicContact CD2-CE1 3.85Å; L141-F337 HydrophobicContact CD2-CE2 4.02Å; L141-F337 HydrophobicContact CD2-CG 3.68Å; L141-F337 HydrophobicContact CD2-CZ 4.02Å; L141-F337 HydrophobicContact CG-CD1 4.18Å; L141-F337 HydrophobicContact CG-CE1 4.41Å
142	L	98.9	Very high	98.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-54.8	-39.5	179.9	-94.5	65.2	0	0	0	112.3	L138 T139 W281 A282 L286 C330 M331 C334	L138-L142 WeakPolarHBondContact O-CD1 3.33Å; L138-L142 PolarHBondContact O-N 3.33Å; T139-L142 PolarHBondContact O-N 3.39Å; L142-W281 HydrophobicContact CD2-CH2 4.17Å; L142-W281 HydrophobicContact CD2-CZ3 4.03Å; L142-A282 HydrophobicContact CB-CB 3.94Å; L142-A282 HydrophobicContact CD2-CB 3.84Å; L142-L286 HydrophobicContact CD1-CD1 4.39Å; L142-L286 HydrophobicContact CD1-CD2 4.06Å; L142-L286 HydrophobicContact CD2-CD1 4.06Å; L142-L286 HydrophobicContact CD2-CD2 3.99Å; L142-L286 HydrophobicContact CD2-CG 3.86Å; L142-C330 HydrophobicContact CB-CB 4.17Å; L142-C330 HydrophobicContact CG-CB 4.23Å; L142-C330 VanDerWaalsContact O-CA 3.31Å; L142-C330 WeakPolarHBondContact O-CA 3.34Å; L142-C330 WeakPolarHBondContact O-CB 3.46Å; L142-C330 PolarHBondContact O-SG 3.45Å; L142-C330 VanDerWaalsContact O-SG 3.37Å; L142-M331 HydrophobicContact CD1-SD 4.09Å; L142-M331 HydrophobicContact CD2-SD 3.6Å; L142-M331 HydrophobicContact CG-SD 3.83Å; L142-C334 HydrophobicContact CD1-CB 3.63Å
143	T	98.9	Very high	98.7	Very high	10 Å²	10	39.9 Å²	39.9	6%	0.061	19%	0.188	C	C	.	.	H	α-helix	trans	-87.2	-11.4	-176.7	60.6	0	0	0	0	114	T139 K140 L141 P145 Y146 E147 L278 K279 A282	T139-T143 WeakPolarHBondContact O-CG2 3.25Å; T139-T143 PolarHBondContact O-N 3.42Å; T139-T143 PolarHBondContact O-OG1 2.72Å; K140-T143 PolarHBondContact O-N 3.04Å; K140-T143 PolarHBondContact O-OG1 3.47Å; L141-T143 PolarHBondContact O-N 3.2Å; T143-P145 VanDerWaalsContact C-CD 3.48Å; T143-Y146 CarbonylContact O-C 3.59Å; T143-Y146 PolarHBondContact O-N 2.99Å; T143-E147 PolarHBondContact O-N 3.28Å; T143-L278 HydrophobicContact CG2-CD1 4.29Å; T143-L278 HydrophobicContact CG2-CD2 4.35Å; T143-L278 HydrophobicContact CG2-CG 3.98Å; T143-K279 HydrophobicContact CG2-CG 4.43Å; T143-A282 HydrophobicContact CG2-CB 3.93Å
144	T	98.9	Very high	98.7	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-51.6	-43.7	-175.2	-69.1	0	0	0	0	114	T34 K140 L141 Y146 E147 W152 F333 W358	T34-T144 HydrophobicContact CG2-CG2 3.9Å; K140-T144 PolarHBondContact O-N 2.8Å; K140-T144 PolarHBondContact O-OG1 3.01Å; L141-T144 VanDerWaalsContact O-CB 3.32Å; L141-T144 WeakPolarHBondContact O-CB 3.45Å; L141-T144 PolarHBondContact O-N 2.82Å; L141-T144 VanDerWaalsContact O-N 3.11Å; L141-T144 PolarHBondContact O-OG1 2.96Å; T144-Y146 PolarHBondContact O-N 3.29Å; T144-E147 PolarHBondContact O-N 2.84Å; T144-W152 HydrophobicContact CG2-CZ2 4.27Å; T144-W152 PolarHBondContact OG1-NE1 2.88Å; T144-F333 VanDerWaalsContact CB-CE1 3.43Å; T144-F333 HydrophobicContact CG2-CD1 4.5Å; T144-F333 HydrophobicContact CG2-CE1 3.66Å; T144-F333 HydrophobicContact CG2-CE2 4.4Å; T144-F333 HydrophobicContact CG2-CZ 3.58Å; T144-W358 HydrophobicContact CG2-CD2 3.73Å; T144-W358 VanDerWaalsContact CG2-CE2 3.48Å; T144-W358 HydrophobicContact CG2-CE3 4.15Å; T144-W358 HydrophobicContact CG2-CG 4.23Å; T144-W358 HydrophobicContact CG2-CH2 4.1Å; T144-W358 HydrophobicContact CG2-CZ2 3.68Å; T144-W358 HydrophobicContact CG2-CZ3 4.31Å; T144-W358 WeakPolarHBondContact O-CZ2 3.49Å
145	P	98.8	Very high	98.7	Very high	13 Å²	13	37.8 Å²	37.8	8%	0.084	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-60.9	-20.5	179.6	-25.8	36.6	0	0	0	114.7	T34 P36 T143 V329 F333	T34-P145 WeakPolarHBondContact O-CA 3.27Å; T34-P145 WeakPolarHBondContact O-CB 3.26Å; P36-P145 WeakPolarHBondContact CD-O 3.44Å; P36-P145 HydrophobicContact CG-CB 3.96Å; P36-P145 WeakPolarHBondContact CG-O 3.38Å; T143-P145 VanDerWaalsContact C-CD 3.48Å; P145-V329 HydrophobicContact CB-CG1 3.76Å; P145-V329 HydrophobicContact CG-CG1 4.05Å; P145-F333 HydrophobicContact CG-CB 3.57Å; P145-F333 HydrophobicContact CG-CD1 3.95Å; P145-F333 HydrophobicContact CG-CD2 4.3Å; P145-F333 HydrophobicContact CG-CG 3.64Å
146	Y	98.8	Very high	98.7	Very high	57 Å²	57	37.1 Å²	37.1	22%	0.224	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-114.6	-8.9	-177	-60.6	-73.2	0	0	0	113.5	P36 T143 T144 L278 W325 N326 V329	P36-Y146 HydrophobicContact CB-CE1 4.17Å; P36-Y146 HydrophobicContact CG-CD1 4.2Å; P36-Y146 HydrophobicContact CG-CE1 3.92Å; T143-Y146 CarbonylContact O-C 3.59Å; T143-Y146 PolarHBondContact O-N 2.99Å; T144-Y146 PolarHBondContact O-N 3.29Å; Y146-L278 HydrophobicContact CD2-CD2 4.07Å; Y146-L278 HydrophobicContact CG-CD2 4.11Å; Y146-W325 HydrophobicContact CD1-CB 4.22Å; Y146-W325 HydrophobicContact CD2-CB 3.93Å; Y146-W325 HydrophobicContact CE1-CB 4.13Å; Y146-W325 HydrophobicContact CE2-CB 3.83Å; Y146-W325 HydrophobicContact CG-CB 4.13Å; Y146-N326 PolarHBondContact OH-N 2.78Å; Y146-V329 HydrophobicContact CE2-CB 4.08Å; Y146-V329 HydrophobicContact CE2-CG1 3.7Å; Y146-V329 WeakPolarHBondContact OH-CB 3.22Å
147	E	98.5	Very high	98.7	Very high	28 Å²	28	35.5 Å²	35.5	13%	0.131	16%	0.161	C	C	.	.			trans	-74.7	135.1	179.4	-176.5	53.2	-97.5	0	0	110.1	T143 T144 Q149 E150 K279 W358	T143-E147 PolarHBondContact O-N 3.28Å; T144-E147 PolarHBondContact O-N 2.84Å; E147-Q149 WeakPolarHBondContact OE1-CB 3.32Å; E147-Q149 PolarHBondContact OE1-N 2.8Å; E147-E150 WeakPolarHBondContact CG-O 3.38Å; E147-E150 PolarHBondContact OE1-N 3.06Å; E147-K279 WeakPolarHBondContact OE2-CE 3.35Å; E147-K279 IonicContact OE2-NZ 3.1Å; E147-K279 PolarHBondContact OE2-NZ 2.87Å; E147-W358 HydrophobicContact CB-CH2 3.84Å; E147-W358 HydrophobicContact CB-CZ3 4.19Å; E147-W358 HydrophobicContact CG-CH2 4.16Å; E147-W358 HydrophobicContact CG-CZ3 4.12Å
148	R	98.3	Very high	98.7	Very high	206 Å²	206	36.2 Å²	36.2	78%	0.777	16%	0.163	S	C	*	.			trans	-131.4	-3.4	-173	-66.2	-173.7	-177.4	178.9	1.4	113.4
149	Q	97.2	Very high	98.7	Very high	157 Å²	157	36.7 Å²	36.7	73%	0.734	17%	0.165	S	C	*	.	S	Bend	trans	-116.1	-48	-172.4	-58.7	-63.1	-24.4	0	0	112.1	E147	E147-Q149 WeakPolarHBondContact OE1-CB 3.32Å; E147-Q149 PolarHBondContact OE1-N 2.8Å
150	E	97.6	Very high	98.6	Very high	103 Å²	103	38.1 Å²	38.1	48%	0.481	17%	0.17	S	C	.	.			trans	-119.4	114.9	-167.8	-66	175	179.4	0	0	111.2	E147 W358	E147-E150 WeakPolarHBondContact CG-O 3.38Å; E147-E150 PolarHBondContact OE1-N 3.06Å; E150-W358 WeakPolarHBondContact O-CZ3 3.38Å
151	G	98.3	Very high	98.6	Very high	13 Å²	13	35.8 Å²	35.8	13%	0.134	17%	0.166	C	C	.	.			trans	-72.8	175.1	166.4	0	0	0	0	0	113.3	W358 E359	G151-W358 CarbonylContact C-O 3.37Å; G151-W358 WeakPolarHBondContact CA-O 3.16Å; G151-E359 WeakPolarHBondContact CA-OE2 3.15Å
152	W	98.9	Very high	98.6	Very high	7 Å²	7	35.9 Å²	35.9	3%	0.027	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	161	-179.5	53.4	-102.4	0	0	0	112.8	K140 L141 T144 L154 F337 F356 W358 V364	K140-W152 HydrophobicContact CD-CB 4.29Å; L141-W152 HydrophobicContact CD2-CH2 3.76Å; L141-W152 HydrophobicContact CD2-CZ2 3.73Å; L141-W152 HydrophobicContact CD2-CZ3 4.47Å; T144-W152 HydrophobicContact CG2-CZ2 4.27Å; T144-W152 PolarHBondContact OG1-NE1 2.88Å; W152-L154 HydrophobicContact CE3-CB 4.33Å; W152-L154 HydrophobicContact CE3-CD1 4.02Å; W152-L154 HydrophobicContact CE3-CG 3.74Å; W152-L154 HydrophobicContact CH2-CD1 4.36Å; W152-L154 HydrophobicContact CZ3-CB 4.18Å; W152-L154 HydrophobicContact CZ3-CD1 3.8Å; W152-L154 HydrophobicContact CZ3-CG 3.86Å; W152-F337 HydrophobicContact CH2-CD2 4.16Å; W152-F337 AromaticContact CH2-CE2 3.67Å; W152-F337 HydrophobicContact CH2-CE2 3.67Å; W152-F337 HydrophobicContact CH2-CZ 4.34Å; W152-F337 HydrophobicContact CZ3-CE2 4.16Å; W152-F337 HydrophobicContact CZ3-CZ 4.5Å; W152-F356 HydrophobicContact CZ3-CB 4.13Å; W152-W358 AromaticContact CD1-CE3 3.44Å; W152-W358 VanDerWaalsContact CD1-CE3 3.44Å; W152-W358 AromaticContact CD1-CZ3 3.96Å; W152-W358 HydrophobicContact CD2-CB 4.03Å; W152-W358 AromaticContact CE2-CE3 3.97Å; W152-W358 HydrophobicContact CE3-CB 4.3Å; W152-W358 HydrophobicContact CG-CE3 4.26Å; W152-W358 HydrophobicContact CH2-CB 3.96Å; W152-W358 HydrophobicContact CZ2-CB 3.65Å; W152-W358 HydrophobicContact CZ2-CD2 4.5Å; W152-W358 HydrophobicContact CZ2-CG 4.07Å; W152-W358 HydrophobicContact CZ3-CB 4.27Å; W152-W358 PolarHBondContact N-O 3.43Å; W152-W358 AromaticContact NE1-CD2 3.81Å; W152-W358 AromaticContact NE1-CE3 3.23Å; W152-W358 AromaticContact NE1-CZ3 3.9Å; W152-W358 PolarHBondContact O-N 3.5Å; W152-V364 HydrophobicContact CH2-CG1 3.96Å; W152-V364 HydrophobicContact CH2-CG2 3.94Å; W152-V364 HydrophobicContact CZ2-CG2 4.16Å; W152-V364 HydrophobicContact CZ3-CG1 4.43Å
153	Q	98.9	Very high	98.6	Very high	36 Å²	36	35.9 Å²	35.9	17%	0.168	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	132.9	170	-70.1	-176.6	-54.3	0	0	110.7	E167 V168 T170 L355 F356 S357	Q153-E167 WeakPolarHBondContact O-CA 3.29Å; Q153-V168 HydrophobicContact CB-CB 4.01Å; Q153-V168 PolarHBondContact O-N 2.7Å; Q153-T170 HydrophobicContact CB-CG2 4.37Å; Q153-T170 HydrophobicContact CG-CG2 3.94Å; Q153-L355 HydrophobicContact CB-CD1 4.09Å; Q153-F356 CarbonylContact C-O 3.6Å; Q153-F356 VanDerWaalsContact CA-O 3.26Å; Q153-F356 WeakPolarHBondContact CA-O 3.09Å; Q153-S357 PolarHBondContact NE2-OG 2.97Å
154	L	98.9	Very high	98.6	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	114.5	175.4	-68.4	175.9	0	0	0	109.4	H137 L141 W152 E167 F337 F356	H137-L154 HydrophobicContact CB-CD2 4Å; L141-L154 HydrophobicContact CD1-CD1 4.31Å; L141-L154 HydrophobicContact CD2-CD1 3.74Å; L141-L154 HydrophobicContact CG-CD1 4.08Å; W152-L154 HydrophobicContact CE3-CB 4.33Å; W152-L154 HydrophobicContact CE3-CD1 4.02Å; W152-L154 HydrophobicContact CE3-CG 3.74Å; W152-L154 HydrophobicContact CH2-CD1 4.36Å; W152-L154 HydrophobicContact CZ3-CB 4.18Å; W152-L154 HydrophobicContact CZ3-CD1 3.8Å; W152-L154 HydrophobicContact CZ3-CG 3.86Å; L154-E167 HydrophobicContact CD2-CB 4.02Å; L154-F337 HydrophobicContact CD1-CE1 4.12Å; L154-F337 HydrophobicContact CD1-CZ 3.85Å; L154-F356 HydrophobicContact CB-CB 4.43Å; L154-F356 PolarHBondContact N-O 3.15Å; L154-F356 PolarHBondContact O-N 2.65Å
155	A	98.9	Very high	98.6	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.008	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	131.4	168.9	0	0	0	0	0	109.4	L165 S166 V168 V353 L355 F376	A155-L165 WeakPolarHBondContact O-CA 3.44Å; A155-S166 WeakPolarHBondContact CB-O 3.48Å; A155-S166 PolarHBondContact N-O 3.19Å; A155-S166 PolarHBondContact O-N 2.79Å; A155-V168 HydrophobicContact CB-CG2 3.74Å; A155-V353 HydrophobicContact CB-CG1 3.59Å; A155-L355 HydrophobicContact CB-CD1 4.17Å; A155-F376 HydrophobicContact CB-CD1 3.8Å; A155-F376 HydrophobicContact CB-CE1 3.82Å
156	A	98.9	Very high	98.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	133.1	176.6	0	0	0	0	0	111.8	L163 Y164 L165 V345 V353 H354 F356	A156-L163 HydrophobicContact CB-CD1 4.22Å; A156-Y164 VanDerWaalsContact CA-O 3.26Å; A156-Y164 WeakPolarHBondContact CA-O 3.25Å; A156-L165 HydrophobicContact CB-CD2 3.52Å; A156-V345 HydrophobicContact CB-CG2 3.91Å; A156-V353 WeakPolarHBondContact O-CA 3.27Å; A156-H354 PolarHBondContact N-O 2.74Å; A156-H354 PolarHBondContact O-N 2.73Å; A156-F356 HydrophobicContact CB-CD2 4.02Å; A156-F356 HydrophobicContact CB-CE2 3.58Å
157	S	98.9	Very high	98.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	137.8	173.9	-63.9	0	0	0	0	108.9	Y164 L352	S157-Y164 PolarHBondContact N-O 3.06Å; S157-Y164 PolarHBondContact O-N 2.87Å; S157-L352 WeakPolarHBondContact CB-O 3.42Å; S157-L352 PolarHBondContact OG-O 3.37Å
158	R	98.9	Very high	98.6	Very high	34 Å²	34	34.9 Å²	34.9	13%	0.128	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	132.3	169.7	-174.6	-177.4	-58.7	-78.9	0.9	108.6	G161 T162 Q342 V345 D348 D349	R158-G161 PolarHBondContact NH1-O 2.85Å; R158-T162 VanDerWaalsContact CA-O 3.32Å; R158-T162 WeakPolarHBondContact CA-O 3.45Å; R158-Q342 VanDerWaalsContact CZ-OE1 3.3Å; R158-Q342 PolarHBondContact NH2-O 3.03Å; R158-V345 HydrophobicContact CB-CG1 3.77Å; R158-V345 PolarHBondContact NE-O 2.95Å; R158-V345 PolarHBondContact NH2-O 2.85Å; R158-D348 HydrophobicContact CG-CB 4.49Å; R158-D349 CarbonylContact O-C 3.52Å; R158-D349 PolarHBondContact O-N 2.92Å
159	F	98.7	Very high	98.6	Very high	10 Å²	10	27.7 Å²	27.7	4%	0.044	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	120.7	176.1	174.6	-123.4	0	0	0	110.3	G161 T162 Y164 D348 P350 L377 Y381 V382 M385	F159-G161 PolarHBondContact O-N 2.69Å; F159-T162 PolarHBondContact N-O 2.79Å; F159-T162 WeakPolarHBondContact O-CB 3.38Å; F159-T162 PolarHBondContact O-N 2.91Å; F159-Y164 HydrophobicContact CB-CD2 4.37Å; F159-Y164 HydrophobicContact CB-CE2 3.94Å; F159-Y164 HydrophobicContact CD1-CE2 4.41Å; F159-D348 VanDerWaalsContact CA-OD1 3.26Å; F159-D348 WeakPolarHBondContact CA-OD1 3.31Å; F159-P350 HydrophobicContact CB-CB 4.1Å; F159-P350 HydrophobicContact CD2-CB 3.89Å; F159-P350 HydrophobicContact CD2-CG 3.76Å; F159-P350 HydrophobicContact CE2-CG 4.1Å; F159-P350 HydrophobicContact CG-CB 3.98Å; F159-P350 HydrophobicContact CG-CG 4.37Å; F159-L377 HydrophobicContact CB-CD1 3.67Å; F159-L377 HydrophobicContact CD1-CD1 4.28Å; F159-L377 HydrophobicContact CG-CD1 4.22Å; F159-Y381 HydrophobicContact CD1-CD1 4.47Å; F159-Y381 HydrophobicContact CD1-CE1 4.09Å; F159-Y381 HydrophobicContact CE1-CD1 4.3Å; F159-Y381 HydrophobicContact CE1-CE1 4.13Å; F159-V382 HydrophobicContact CE1-CG2 4.4Å; F159-V382 HydrophobicContact CE2-CG1 4.03Å; F159-V382 HydrophobicContact CZ-CB 4.27Å; F159-V382 HydrophobicContact CZ-CG1 3.88Å; F159-V382 HydrophobicContact CZ-CG2 4.47Å; F159-M385 HydrophobicContact CE1-CB 3.65Å; F159-M385 HydrophobicContact CE1-CG 4.15Å; F159-M385 HydrophobicContact CZ-CB 3.93Å
160	Q	97.7	Very high	98.6	Very high	52 Å²	52	20.6 Å²	20.6	24%	0.243	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	50.1	-174.1	-60	-174.4	-9.8	0	0	112.5	A128 T162 D348 M385	A128-Q160 WeakPolarHBondContact CA-O 3.41Å; A128-Q160 WeakPolarHBondContact CB-O 3.17Å; Q160-T162 PolarHBondContact O-N 2.83Å; Q160-D348 PolarHBondContact N-OD1 2.93Å; Q160-D348 PolarHBondContact N-OD2 3.38Å; Q160-D348 VanDerWaalsContact N-OD2 3.12Å; Q160-M385 VanDerWaalsContact NE2-C 3.33Å; Q160-M385 PolarHBondContact NE2-O 3.43Å
161	G	98.1	Very high	98.7	Very high	22 Å²	22	20.8 Å²	20.8	23%	0.227	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	-35.2	-176.2	0	0	0	0	0	114	A128 R158 F159 D348	A128-G161 CarbonylContact O-C 3.59Å; A128-G161 VanDerWaalsContact O-CA 3.31Å; A128-G161 WeakPolarHBondContact O-CA 3.32Å; R158-G161 PolarHBondContact NH1-O 2.85Å; F159-G161 PolarHBondContact O-N 2.69Å; G161-D348 PolarHBondContact N-OD2 3.33Å
162	T	98.9	Very high	98.6	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.012	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	133.2	-174.9	-46.3	0	0	0	0	111.2	L127 A128 V132 R158 F159 Q160 Y164	L127-T162 HydrophobicContact CD1-CG2 4.09Å; L127-T162 HydrophobicContact CG-CG2 4.29Å; L127-T162 PolarHBondContact O-OG1 2.87Å; A128-T162 PolarHBondContact O-N 2.89Å; V132-T162 HydrophobicContact CB-CG2 4.35Å; V132-T162 HydrophobicContact CG2-CG2 3.52Å; R158-T162 VanDerWaalsContact CA-O 3.32Å; R158-T162 WeakPolarHBondContact CA-O 3.45Å; F159-T162 PolarHBondContact N-O 2.79Å; F159-T162 WeakPolarHBondContact O-CB 3.38Å; F159-T162 PolarHBondContact O-N 2.91Å; Q160-T162 PolarHBondContact O-N 2.83Å; T162-Y164 HydrophobicContact CG2-CD2 4.25Å; T162-Y164 HydrophobicContact CG2-CE1 4.2Å; T162-Y164 HydrophobicContact CG2-CE2 3.67Å
163	L	98.9	Very high	98.6	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	120.8	173.1	-178.6	66	0	0	0	109.8	A130 T131 V132 A156 L165 A341 Q342 V345	A130-L163 PolarHBondContact O-N 3.4Å; T131-L163 CarbonylContact C-O 3.5Å; T131-L163 WeakPolarHBondContact CA-O 3.42Å; T131-L163 HydrophobicContact CG2-CB 4.5Å; T131-L163 HydrophobicContact CG2-CD2 4.38Å; T131-L163 HydrophobicContact CG2-CG 4.44Å; V132-L163 PolarHBondContact N-O 3.32Å; A156-L163 HydrophobicContact CB-CD1 4.22Å; L163-L165 HydrophobicContact CD2-CD2 4.32Å; L163-L165 HydrophobicContact CG-CD2 4.26Å; L163-A341 HydrophobicContact CD2-CB 4.04Å; L163-Q342 HydrophobicContact CD2-CG 3.93Å; L163-V345 HydrophobicContact CD1-CB 4Å; L163-V345 HydrophobicContact CD1-CG1 4.18Å; L163-V345 HydrophobicContact CD1-CG2 4.04Å
164	Y	98.9	Very high	98.5	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	135.5	175.4	-60.3	-98.1	0	0	0	109.9	L106 L110 V132 A156 S157 F159 T162 L377 Y381	L106-Y164 HydrophobicContact CD1-CD1 4.37Å; L110-Y164 HydrophobicContact CD2-CD1 3.81Å; L110-Y164 HydrophobicContact CD2-CE1 3.57Å; V132-Y164 HydrophobicContact CB-CD1 3.62Å; V132-Y164 HydrophobicContact CB-CE1 3.8Å; V132-Y164 HydrophobicContact CB-CG 4.4Å; V132-Y164 HydrophobicContact CG1-CD1 3.81Å; V132-Y164 HydrophobicContact CG1-CE1 3.94Å; V132-Y164 HydrophobicContact CG2-CD1 4.3Å; V132-Y164 HydrophobicContact CG2-CE1 3.99Å; V132-Y164 WeakPolarHBondContact O-CA 3.38Å; A156-Y164 VanDerWaalsContact CA-O 3.26Å; A156-Y164 WeakPolarHBondContact CA-O 3.25Å; S157-Y164 PolarHBondContact N-O 3.06Å; S157-Y164 PolarHBondContact O-N 2.87Å; F159-Y164 HydrophobicContact CB-CD2 4.37Å; F159-Y164 HydrophobicContact CB-CE2 3.94Å; F159-Y164 HydrophobicContact CD1-CE2 4.41Å; T162-Y164 HydrophobicContact CG2-CD2 4.25Å; T162-Y164 HydrophobicContact CG2-CE1 4.2Å; T162-Y164 HydrophobicContact CG2-CE2 3.67Å; Y164-L377 HydrophobicContact CD1-CD2 3.94Å; Y164-L377 HydrophobicContact CD2-CD1 4Å; Y164-L377 HydrophobicContact CD2-CD2 4.21Å; Y164-L377 HydrophobicContact CE1-CD2 4.37Å; Y164-L377 HydrophobicContact CE2-CD1 4.33Å; Y164-L377 HydrophobicContact CG-CD1 4.43Å; Y164-L377 HydrophobicContact CG-CD2 3.87Å; Y164-Y381 HydrophobicContact CE1-CE1 4.15Å; Y164-Y381 AromaticContact CZ-CE1 3.94Å; Y164-Y381 PolarHBondContact OH-OH 3.33Å
165	L	98.9	Very high	98.4	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	120.8	174.6	-56.2	177	0	0	0	109.6	T131 V132 T133 H137 A155 A156 L163 F337 L338	T131-L165 HydrophobicContact CG2-CD1 3.73Å; T131-L165 HydrophobicContact CG2-CG 3.89Å; V132-L165 PolarHBondContact O-N 2.54Å; T133-L165 WeakPolarHBondContact CB-O 3.15Å; T133-L165 PolarHBondContact OG1-O 3.01Å; H137-L165 PolarHBondContact CD2-O 2.78Å; A155-L165 WeakPolarHBondContact O-CA 3.44Å; A156-L165 HydrophobicContact CB-CD2 3.52Å; L163-L165 HydrophobicContact CD2-CD2 4.32Å; L163-L165 HydrophobicContact CG-CD2 4.26Å; L165-F337 HydrophobicContact CD1-CE1 4.07Å; L165-L338 HydrophobicContact CD1-CD2 4.23Å
166	S	98.9	Very high	98.4	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.014	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	128.7	177.5	-176.4	0	0	0	0	110.2	A155	A155-S166 WeakPolarHBondContact CB-O 3.48Å; A155-S166 PolarHBondContact N-O 3.19Å; A155-S166 PolarHBondContact O-N 2.79Å
167	E	98.7	Very high	98.3	Very high	55 Å²	55	36.1 Å²	36.1	26%	0.257	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	144.3	175.1	177.8	162.2	-143.2	0	0	112.7	H137 K140 Q153 L154	H137-E167 PolarHBondContact CD2-N 3.39Å; H137-E167 WeakPolarHBondContact CE1-CB 3.27Å; H137-E167 IonicContact CE1-OE2 3.75Å; H137-E167 IonicContact ND1-OE2 2.85Å; H137-E167 PolarHBondContact NE2-N 3.31Å; K140-E167 WeakPolarHBondContact CD-OE1 3.25Å; K140-E167 WeakPolarHBondContact CE-OE1 3.5Å; K140-E167 VanDerWaalsContact NZ-CD 3.3Å; K140-E167 IonicContact NZ-OE1 2.62Å; K140-E167 PolarHBondContact NZ-OE1 2.88Å; K140-E167 IonicContact NZ-OE2 3.55Å; K140-E167 PolarHBondContact NZ-OE2 3.27Å; Q153-E167 WeakPolarHBondContact O-CA 3.29Å; L154-E167 HydrophobicContact CD2-CB 4.02Å
168	V	98.6	Very high	98.2	Very high	31 Å²	31	40.8 Å²	40.8	19%	0.188	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	128.1	170.2	-179.4	0	0	0	0	108	Q153 A155 T170 L355 Y374	Q153-V168 HydrophobicContact CB-CB 4.01Å; Q153-V168 PolarHBondContact O-N 2.7Å; A155-V168 HydrophobicContact CB-CG2 3.74Å; V168-T170 PolarHBondContact O-N 2.84Å; V168-L355 HydrophobicContact CB-CD1 4.23Å; V168-L355 HydrophobicContact CG2-CD1 3.8Å; V168-Y374 HydrophobicContact CG1-CD1 4.42Å; V168-Y374 HydrophobicContact CG1-CE1 4.28Å; V168-Y374 HydrophobicContact CG2-CD1 4.44Å
169	E	98.4	Very high	98.1	Very high	54 Å²	54	42.9 Å²	42.9	25%	0.252	25%	0.254	S	S	.	.			trans	-65.1	123.5	175.2	179.5	175.2	-90.8	0	0	109.9	R103 A173 R174 R177	R103-E169 IonicContact CZ-OE1 3.94Å; R103-E169 IonicContact CZ-OE2 3.73Å; R103-E169 IonicContact NH1-OE1 3.28Å; R103-E169 PolarHBondContact NH1-OE1 2.97Å; R103-E169 IonicContact NH1-OE2 3.64Å; R103-E169 IonicContact NH2-OE1 2.85Å; R103-E169 PolarHBondContact NH2-OE1 2.67Å; R103-E169 VanDerWaalsContact NH2-OE1 3.1Å; R103-E169 IonicContact NH2-OE2 3.46Å; R103-E169 PolarHBondContact NH2-OE2 2.93Å; E169-A173 HydrophobicContact CG-CB 3.99Å; E169-R174 HydrophobicContact CG-CB 4.01Å; E169-R174 WeakPolarHBondContact OE2-CA 3.36Å; E169-R174 WeakPolarHBondContact OE2-CB 3.46Å; E169-R174 WeakPolarHBondContact OE2-CG 3.47Å; E169-R174 IonicContact OE2-NH1 3.51Å; E169-R177 IonicContact OE1-CZ 3.46Å; E169-R177 IonicContact OE1-NE 2.69Å; E169-R177 PolarHBondContact OE1-NE 3.14Å; E169-R177 IonicContact OE1-NH2 2.75Å; E169-R177 IonicContact OE2-CZ 3.61Å; E169-R177 IonicContact OE2-NE 3.1Å; E169-R177 IonicContact OE2-NH2 2.74Å; E169-R177 PolarHBondContact OE2-NH2 3.1Å
170	T	98.3	Very high	98.1	Very high	9 Å²	9	44.1 Å²	44.1	6%	0.055	26%	0.258	C	S	.	.			trans	-70.8	156.3	177.5	75.2	0	0	0	0	110.8	Q153 V168 A172 A173 R174	Q153-T170 HydrophobicContact CB-CG2 4.37Å; Q153-T170 HydrophobicContact CG-CG2 3.94Å; V168-T170 PolarHBondContact O-N 2.84Å; T170-A172 PolarHBondContact O-N 3.44Å; T170-A173 PolarHBondContact O-N 2.84Å; T170-A173 VanDerWaalsContact O-N 3.14Å; T170-A173 WeakPolarHBondContact OG1-CB 3.49Å; T170-A173 PolarHBondContact OG1-N 2.88Å; T170-A173 VanDerWaalsContact OG1-N 3.07Å; T170-R174 PolarHBondContact O-N 2.66Å
171	P	97.9	Very high	98	Very high	106 Å²	106	45.1 Å²	45.1	69%	0.688	27%	0.27	S	S	*	.	H	α-helix	trans	-55.3	-38.7	175	-27.2	35.6	0	0	0	113.3	R174 A175	P171-R174 PolarHBondContact O-N 2.88Å; P171-A175 WeakPolarHBondContact O-CB 3.49Å; P171-A175 PolarHBondContact O-N 2.9Å
172	A	97.4	Very high	98	Very high	52 Å²	52	49 Å²	49	43%	0.43	29%	0.291	S	S	.	.	H	α-helix	trans	-66.2	-45.4	176.6	0	0	0	0	0	111.9	T170 R174 A175 Q176	T170-A172 PolarHBondContact O-N 3.44Å; A172-R174 VanDerWaalsContact C-N 3.35Å; A172-R174 PolarHBondContact O-N 3Å; A172-A175 PolarHBondContact O-N 3.28Å; A172-Q176 WeakPolarHBondContact O-CG 3.44Å; A172-Q176 PolarHBondContact O-N 3.21Å
173	A	97.8	Very high	97.9	Very high	37 Å²	37	53.9 Å²	53.9	31%	0.306	32%	0.316	S	S	.	.	H	α-helix	trans	-62.9	-40.4	176.6	0	0	0	0	0	111.9	E169 T170 Q176 R177	E169-A173 HydrophobicContact CG-CB 3.99Å; T170-A173 PolarHBondContact O-N 2.84Å; T170-A173 VanDerWaalsContact O-N 3.14Å; T170-A173 WeakPolarHBondContact OG1-CB 3.49Å; T170-A173 PolarHBondContact OG1-N 2.88Å; T170-A173 VanDerWaalsContact OG1-N 3.07Å; A173-Q176 PolarHBondContact O-N 3.25Å; A173-R177 WeakPolarHBondContact O-CB 3.29Å; A173-R177 PolarHBondContact O-N 2.96Å
174	R	97.6	Very high	97.8	Very high	99 Å²	99	57.9 Å²	57.9	37%	0.374	34%	0.337	S	S	.	.	H	α-helix	trans	-59.2	-49.6	173.2	-177.4	164.7	179.6	84.5	4.5	111.4	E101 E169 T170 P171 A172 Q176 R177 L178	E101-R174 IonicContact OE1-CZ 3.37Å; E101-R174 IonicContact OE1-NH1 3.68Å; E101-R174 PolarHBondContact OE1-NH1 3.25Å; E101-R174 IonicContact OE1-NH2 2.76Å; E101-R174 IonicContact OE2-CZ 2.8Å; E101-R174 IonicContact OE2-NH1 3.48Å; E101-R174 PolarHBondContact OE2-NH1 3.37Å; E101-R174 IonicContact OE2-NH2 3.72Å; E101-R174 PolarHBondContact OE2-NH2 3.35Å; E169-R174 HydrophobicContact CG-CB 4.01Å; E169-R174 WeakPolarHBondContact OE2-CA 3.36Å; E169-R174 WeakPolarHBondContact OE2-CB 3.46Å; E169-R174 WeakPolarHBondContact OE2-CG 3.47Å; E169-R174 IonicContact OE2-NH1 3.51Å; T170-R174 PolarHBondContact O-N 2.66Å; P171-R174 PolarHBondContact O-N 2.88Å; A172-R174 VanDerWaalsContact C-N 3.35Å; A172-R174 PolarHBondContact O-N 3Å; R174-Q176 PolarHBondContact O-N 3.3Å; R174-R177 PolarHBondContact O-N 3.41Å; R174-L178 HydrophobicContact CG-CD1 4.02Å; R174-L178 HydrophobicContact CG-CG 4.44Å; R174-L178 WeakPolarHBondContact O-CG 3.35Å; R174-L178 PolarHBondContact O-N 3.13Å
175	A	97.9	Very high	97.7	Very high	57 Å²	57	62.9 Å²	62.9	47%	0.471	36%	0.356	S	S	.	.	H	α-helix	trans	-60.3	-44.9	179.3	0	0	0	0	0	111.7	P171 A172 R177 L178 A179	P171-A175 WeakPolarHBondContact O-CB 3.49Å; P171-A175 PolarHBondContact O-N 2.9Å; A172-A175 PolarHBondContact O-N 3.28Å; A175-R177 PolarHBondContact O-N 2.83Å; A175-L178 PolarHBondContact O-N 3.23Å; A175-A179 VanDerWaalsContact O-CB 3.28Å; A175-A179 WeakPolarHBondContact O-CB 3.43Å; A175-A179 PolarHBondContact O-N 3.43Å
176	Q	97	Very high	97.7	Very high	114 Å²	114	64.5 Å²	64.5	53%	0.533	36%	0.364	S	S	.	.	H	α-helix	trans	-63.3	-38.8	177	-72.2	178.8	11.9	0	0	112.8	A172 A173 R174 A179 R180	A172-Q176 WeakPolarHBondContact O-CG 3.44Å; A172-Q176 PolarHBondContact O-N 3.21Å; A173-Q176 PolarHBondContact O-N 3.25Å; R174-Q176 PolarHBondContact O-N 3.3Å; Q176-A179 CarbonylContact O-C 3.56Å; Q176-R180 WeakPolarHBondContact O-CA 3.27Å; Q176-R180 PolarHBondContact O-N 2.97Å
177	R	97.1	Very high	97.7	Very high	21 Å²	21	66.7 Å²	66.7	8%	0.079	38%	0.375	C	S	.	.	H	α-helix	trans	-66	-45.3	176.3	178.4	172.5	59.8	66.3	14.7	112.1	E101 E169 A173 R174 A175 A179 R180	E101-R177 IonicContact OE1-CZ 2.83Å; E101-R177 VanDerWaalsContact OE1-CZ 3.26Å; E101-R177 IonicContact OE1-NH1 3.53Å; E101-R177 PolarHBondContact OE1-NH1 3.17Å; E101-R177 IonicContact OE1-NH2 3.85Å; E101-R177 PolarHBondContact OE1-NH2 3.12Å; E169-R177 IonicContact OE1-CZ 3.46Å; E169-R177 IonicContact OE1-NE 2.69Å; E169-R177 PolarHBondContact OE1-NE 3.14Å; E169-R177 IonicContact OE1-NH2 2.75Å; E169-R177 IonicContact OE2-CZ 3.61Å; E169-R177 IonicContact OE2-NE 3.1Å; E169-R177 IonicContact OE2-NH2 2.74Å; E169-R177 PolarHBondContact OE2-NH2 3.1Å; A173-R177 WeakPolarHBondContact O-CB 3.29Å; A173-R177 PolarHBondContact O-N 2.96Å; R174-R177 PolarHBondContact O-N 3.41Å; A175-R177 PolarHBondContact O-N 2.83Å; R177-A179 VanDerWaalsContact C-N 3.34Å; R177-R180 VanDerWaalsContact O-CB 3.24Å; R177-R180 WeakPolarHBondContact O-CB 3.41Å; R177-R180 PolarHBondContact O-N 3.47Å
178	L	97.3	Very high	97.6	Very high	98 Å²	98	66.9 Å²	66.9	51%	0.513	38%	0.376	S	S	.	.	H	α-helix	trans	-65.4	-39.7	177.7	-66.8	175.4	0	0	0	111.4	R174 A175 R180	R174-L178 HydrophobicContact CG-CD1 4.02Å; R174-L178 HydrophobicContact CG-CG 4.44Å; R174-L178 WeakPolarHBondContact O-CG 3.35Å; R174-L178 PolarHBondContact O-N 3.13Å; A175-L178 PolarHBondContact O-N 3.23Å; L178-R180 VanDerWaalsContact C-N 3.27Å; L178-R180 PolarHBondContact O-N 2.78Å
179	A	97.4	Very high	97.7	Very high	78 Å²	78	65.4 Å²	65.4	65%	0.645	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	15.8	177.9	0	0	0	0	0	113.9	A175 Q176 R177 P181	A175-A179 VanDerWaalsContact O-CB 3.28Å; A175-A179 WeakPolarHBondContact O-CB 3.43Å; A175-A179 PolarHBondContact O-N 3.43Å; Q176-A179 CarbonylContact O-C 3.56Å; R177-A179 VanDerWaalsContact C-N 3.34Å; A179-P181 VanDerWaalsContact O-CD 3.3Å; A179-P181 WeakPolarHBondContact O-CD 3.5Å; A179-P181 VanDerWaalsContact O-N 3.16Å
180	R	97.3	Very high	97.7	Very high	36 Å²	36	63 Å²	63	14%	0.136	36%	0.356	C	S	.	.			trans	-58.4	119	-172.5	-171.5	-178.4	-65.9	141.7	-5.7	111.2	E100 Q176 R177 L178 L184 R185 M188	E100-R180 IonicContact OE1-CZ 2.79Å; E100-R180 IonicContact OE1-NH1 3.73Å; E100-R180 IonicContact OE1-NH2 2.78Å; E100-R180 PolarHBondContact OE1-NH2 2.86Å; E100-R180 IonicContact OE2-CZ 3.67Å; E100-R180 IonicContact OE2-NH1 2.85Å; E100-R180 PolarHBondContact OE2-NH1 3.13Å; E100-R180 IonicContact OE2-NH2 2.69Å; E100-R180 PolarHBondContact OE2-NH2 2.86Å; Q176-R180 WeakPolarHBondContact O-CA 3.27Å; Q176-R180 PolarHBondContact O-N 2.97Å; R177-R180 VanDerWaalsContact O-CB 3.24Å; R177-R180 WeakPolarHBondContact O-CB 3.41Å; R177-R180 PolarHBondContact O-N 3.47Å; L178-R180 VanDerWaalsContact C-N 3.27Å; L178-R180 PolarHBondContact O-N 2.78Å; R180-L184 HydrophobicContact CG-CB 3.96Å; R180-L184 HydrophobicContact CG-CD2 3.92Å; R180-L184 HydrophobicContact CG-CG 3.95Å; R180-R185 HydrophobicContact CB-CG 4.4Å; R180-R185 HydrophobicContact CG-CG 3.92Å; R180-R185 PolarHBondContact O-NE 3.22Å; R180-M188 VanDerWaalsContact CD-SD 3.51Å; R180-M188 PolarHBondContact NE-SD 2.84Å; R180-M188 VanDerWaalsContact NE-SD 3.44Å
181	P	97.6	Very high	97.7	Very high	74 Å²	74	63.5 Å²	63.5	48%	0.481	36%	0.364	S	S	.	.			trans	-61.4	151	-178.5	-24.8	34.3	0	0	0	112.6	A179 L183 L184 R185	A179-P181 VanDerWaalsContact O-CD 3.3Å; A179-P181 WeakPolarHBondContact O-CD 3.5Å; A179-P181 VanDerWaalsContact O-N 3.16Å; P181-L183 VanDerWaalsContact C-N 3.29Å; P181-L183 PolarHBondContact O-N 2.85Å; P181-L184 PolarHBondContact O-N 2.7Å; P181-R185 PolarHBondContact O-N 3.02Å; P181-R185 VanDerWaalsContact O-N 3.13Å
182	P	97.7	Very high	97.7	Very high	103 Å²	103	62 Å²	62	67%	0.669	34%	0.344	S	S	*	.	H	α-helix	trans	-52.4	-44.3	177.5	-28.2	35.5	0	0	0	113.5	L184 R185 E186	P182-L184 VanDerWaalsContact C-N 3.29Å; P182-L184 PolarHBondContact O-N 3.06Å; P182-R185 WeakPolarHBondContact O-CB 3.43Å; P182-R185 PolarHBondContact O-N 2.79Å; P182-R185 VanDerWaalsContact O-N 3.12Å; P182-E186 PolarHBondContact O-N 2.86Å
183	L	96.4	Very high	97.8	Very high	105 Å²	105	59.5 Å²	59.5	55%	0.55	32%	0.324	S	S	.	.	H	α-helix	trans	-58.3	-39.7	176.7	178.3	63.2	0	0	0	112.3	P181 E186 L187	P181-L183 VanDerWaalsContact C-N 3.29Å; P181-L183 PolarHBondContact O-N 2.85Å; L183-E186 PolarHBondContact O-N 2.86Å; L183-L187 HydrophobicContact CD1-CG 4.44Å; L183-L187 HydrophobicContact CG-CD1 4.3Å; L183-L187 WeakPolarHBondContact O-CB 3.01Å; L183-L187 WeakPolarHBondContact O-CG 3.36Å; L183-L187 PolarHBondContact O-N 2.97Å
184	L	96.6	Very high	97.9	Very high	83 Å²	83	57.8 Å²	57.8	44%	0.435	31%	0.31	S	S	.	.	H	α-helix	trans	-72.2	-32.1	179.7	-174.3	56.6	0	0	0	111.7	R180 P181 P182 L187 M188	R180-L184 HydrophobicContact CG-CB 3.96Å; R180-L184 HydrophobicContact CG-CD2 3.92Å; R180-L184 HydrophobicContact CG-CG 3.95Å; P181-L184 PolarHBondContact O-N 2.7Å; P182-L184 VanDerWaalsContact C-N 3.29Å; P182-L184 PolarHBondContact O-N 3.06Å; L184-L187 PolarHBondContact O-N 3.21Å; L184-M188 WeakPolarHBondContact O-CG 3.39Å; L184-M188 PolarHBondContact O-N 3.08Å; L184-M188 VanDerWaalsContact O-N 3.09Å
185	R	97.3	Very high	97.9	Very high	105 Å²	105	54 Å²	54	40%	0.396	30%	0.297	S	S	.	.	H	α-helix	trans	-65	-44.6	172.9	-65.4	173.8	-176.6	-101.1	-0.5	111.4	R180 P181 P182 M188 Y189	R180-R185 HydrophobicContact CB-CG 4.4Å; R180-R185 HydrophobicContact CG-CG 3.92Å; R180-R185 PolarHBondContact O-NE 3.22Å; P181-R185 PolarHBondContact O-N 3.02Å; P181-R185 VanDerWaalsContact O-N 3.13Å; P182-R185 WeakPolarHBondContact O-CB 3.43Å; P182-R185 PolarHBondContact O-N 2.79Å; P182-R185 VanDerWaalsContact O-N 3.12Å; R185-M188 WeakPolarHBondContact O-CB 3.4Å; R185-M188 PolarHBondContact O-N 3.35Å; R185-Y189 PolarHBondContact O-N 3.39Å; R185-Y189 VanDerWaalsContact O-N 3.1Å
186	E	98.4	Very high	98	Very high	35 Å²	35	52.4 Å²	52.4	16%	0.164	28%	0.279	C	S	.	.	H	α-helix	trans	-62.6	-43.3	174.8	-170.2	-172.5	176.7	0	0	111.1	R88 Y91 P182 L183 M188 Y189 M190	R88-E186 WeakPolarHBondContact CD-OE1 3.42Å; R88-E186 WeakPolarHBondContact CG-OE1 3.42Å; R88-E186 IonicContact CZ-OE1 3.52Å; R88-E186 IonicContact NE-OE1 2.84Å; R88-E186 PolarHBondContact NE-OE1 3.22Å; R88-E186 IonicContact NH2-OE1 2.65Å; Y91-E186 HydrophobicContact CD1-CB 4.49Å; Y91-E186 HydrophobicContact CD1-CG 4.08Å; Y91-E186 HydrophobicContact CE1-CB 4.08Å; Y91-E186 HydrophobicContact CE1-CG 4.15Å; P182-E186 PolarHBondContact O-N 2.86Å; L183-E186 PolarHBondContact O-N 2.86Å; E186-M188 VanDerWaalsContact C-N 3.27Å; E186-M188 PolarHBondContact O-N 2.95Å; E186-Y189 WeakPolarHBondContact O-CB 3.39Å; E186-Y189 PolarHBondContact O-N 3.21Å; E186-Y189 VanDerWaalsContact O-N 3.12Å; E186-M190 HydrophobicContact CG-SD 4.3Å; E186-M190 VanDerWaalsContact O-CG 3.23Å; E186-M190 WeakPolarHBondContact O-CG 3.3Å; E186-M190 PolarHBondContact O-N 2.89Å
187	L	98.3	Very high	98	Very high	48 Å²	48	48.5 Å²	48.5	25%	0.251	26%	0.26	S	S	.	.	H	α-helix	trans	-61.5	-32.6	175.9	-73.5	176.6	0	0	0	113.7	L183 L184 M190 G191 R297	L183-L187 HydrophobicContact CD1-CG 4.44Å; L183-L187 HydrophobicContact CG-CD1 4.3Å; L183-L187 WeakPolarHBondContact O-CB 3.01Å; L183-L187 WeakPolarHBondContact O-CG 3.36Å; L183-L187 PolarHBondContact O-N 2.97Å; L184-L187 PolarHBondContact O-N 3.21Å; L187-M190 HydrophobicContact CD2-SD 3.84Å; L187-G191 PolarHBondContact O-N 3.41Å; L187-R297 VanDerWaalsContact CD2-CZ 3.44Å
188	M	98.3	Very high	98.1	Very high	59 Å²	59	47.5 Å²	47.5	29%	0.291	26%	0.256	S	S	.	.	H	α-helix	trans	-67.9	-46.7	172.6	-69.8	169.4	65.5	0	0	110.8	R180 L184 R185 E186 M190 G191 Y192	R180-M188 VanDerWaalsContact CD-SD 3.51Å; R180-M188 PolarHBondContact NE-SD 2.84Å; R180-M188 VanDerWaalsContact NE-SD 3.44Å; L184-M188 WeakPolarHBondContact O-CG 3.39Å; L184-M188 PolarHBondContact O-N 3.08Å; L184-M188 VanDerWaalsContact O-N 3.09Å; R185-M188 WeakPolarHBondContact O-CB 3.4Å; R185-M188 PolarHBondContact O-N 3.35Å; E186-M188 VanDerWaalsContact C-N 3.27Å; E186-M188 PolarHBondContact O-N 2.95Å; M188-M190 VanDerWaalsContact C-N 3.33Å; M188-M190 PolarHBondContact O-N 2.81Å; M188-G191 PolarHBondContact O-N 3.01Å; M188-G191 VanDerWaalsContact O-N 3.16Å; M188-Y192 VanDerWaalsContact O-CD2 3.28Å; M188-Y192 WeakPolarHBondContact O-CD2 3.21Å
189	Y	98.8	Very high	98.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-54.8	-48.5	174.2	171.5	-94.8	0	0	0	111.7	L87 D89 Y91 Y95 R185 E186 G191 Y192 K193 V213	L87-Y189 WeakPolarHBondContact O-CD1 3.35Å; L87-Y189 VanDerWaalsContact O-CE1 3.26Å; L87-Y189 WeakPolarHBondContact O-CE1 3.29Å; D89-Y189 PolarHBondContact O-OH 3.2Å; Y91-Y189 AromaticContact CD2-CD1 3.99Å; Y91-Y189 HydrophobicContact CD2-CD1 3.99Å; Y91-Y189 AromaticContact CD2-CD2 3.9Å; Y91-Y189 HydrophobicContact CD2-CD2 3.9Å; Y91-Y189 HydrophobicContact CD2-CE2 4.49Å; Y91-Y189 AromaticContact CD2-CG 3.58Å; Y91-Y189 HydrophobicContact CD2-CG 3.58Å; Y91-Y189 HydrophobicContact CE2-CG 4.43Å; Y91-Y189 HydrophobicContact CG-CD1 4.17Å; Y91-Y189 HydrophobicContact CG-CG 4.23Å; Y95-Y189 HydrophobicContact CD1-CD2 4.04Å; Y95-Y189 AromaticContact CD2-CD2 3.44Å; Y95-Y189 HydrophobicContact CD2-CD2 3.44Å; Y95-Y189 VanDerWaalsContact CD2-CD2 3.44Å; Y95-Y189 AromaticContact CD2-CE2 3.98Å; Y95-Y189 HydrophobicContact CD2-CE2 3.98Å; Y95-Y189 HydrophobicContact CE1-CD2 4.49Å; Y95-Y189 AromaticContact CE2-CD2 3.95Å; Y95-Y189 HydrophobicContact CE2-CD2 3.95Å; Y95-Y189 AromaticContact CG-CD2 3.48Å; Y95-Y189 HydrophobicContact CG-CD2 3.48Å; Y95-Y189 VanDerWaalsContact CG-CD2 3.48Å; Y95-Y189 AromaticContact CG-CE2 3.99Å; Y95-Y189 HydrophobicContact CG-CE2 3.99Å; Y95-Y189 HydrophobicContact CG-CG 4.48Å; R185-Y189 PolarHBondContact O-N 3.39Å; R185-Y189 VanDerWaalsContact O-N 3.1Å; E186-Y189 WeakPolarHBondContact O-CB 3.39Å; E186-Y189 PolarHBondContact O-N 3.21Å; E186-Y189 VanDerWaalsContact O-N 3.12Å; Y189-G191 PolarHBondContact O-N 2.99Å; Y189-G191 VanDerWaalsContact O-N 3.11Å; Y189-Y192 PolarHBondContact O-N 2.82Å; Y189-K193 HydrophobicContact CD1-CB 4.16Å; Y189-K193 HydrophobicContact CE1-CB 3.78Å; Y189-K193 HydrophobicContact CE1-CD 4.3Å; Y189-K193 HydrophobicContact CE1-CG 3.93Å; Y189-K193 WeakPolarHBondContact O-CB 3.45Å; Y189-K193 PolarHBondContact O-N 3.36Å; Y189-V213 HydrophobicContact CD2-CB 4.14Å; Y189-V213 HydrophobicContact CD2-CG1 4.15Å; Y189-V213 HydrophobicContact CD2-CG2 4.35Å; Y189-V213 HydrophobicContact CE2-CB 3.59Å; Y189-V213 HydrophobicContact CE2-CG1 4.09Å; Y189-V213 HydrophobicContact CE2-CG2 3.53Å
190	M	98.9	Very high	98.3	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.02	20%	0.203	C	C	.	.	H	α-helix	trans	-57.4	-28.4	-179.3	-70.3	170.5	82.1	0	0	112.9	L87 E186 L187 M188 F194 G301	L87-M190 HydrophobicContact CB-CB 3.8Å; L87-M190 HydrophobicContact CB-CE 3.8Å; L87-M190 HydrophobicContact CB-CG 3.75Å; L87-M190 HydrophobicContact CD1-CB 4.06Å; L87-M190 HydrophobicContact CD1-CE 4.09Å; L87-M190 WeakPolarHBondContact O-CG 3.28Å; E186-M190 HydrophobicContact CG-SD 4.3Å; E186-M190 VanDerWaalsContact O-CG 3.23Å; E186-M190 WeakPolarHBondContact O-CG 3.3Å; E186-M190 PolarHBondContact O-N 2.89Å; L187-M190 HydrophobicContact CD2-SD 3.84Å; M188-M190 VanDerWaalsContact C-N 3.33Å; M188-M190 PolarHBondContact O-N 2.81Å; M190-F194 WeakPolarHBondContact O-CB 3.4Å; M190-F194 PolarHBondContact O-N 2.6Å; M190-F194 VanDerWaalsContact O-N 3.12Å; M190-G301 VanDerWaalsContact CE-CA 3.48Å
191	G	98.7	Very high	98.3	Very high	20 Å²	20	44 Å²	44	21%	0.206	23%	0.231	C	C	.	.	H	α-helix	trans	-63.9	-55.8	171.8	0	0	0	0	0	112	L187 M188 Y189 K193 F194 E195	L187-G191 PolarHBondContact O-N 3.41Å; M188-G191 PolarHBondContact O-N 3.01Å; M188-G191 VanDerWaalsContact O-N 3.16Å; Y189-G191 PolarHBondContact O-N 2.99Å; Y189-G191 VanDerWaalsContact O-N 3.11Å; G191-K193 VanDerWaalsContact C-N 3.32Å; G191-K193 PolarHBondContact O-N 3.42Å; G191-F194 WeakPolarHBondContact O-CB 3.39Å; G191-F194 PolarHBondContact O-N 2.92Å; G191-E195 PolarHBondContact O-N 2.85Å
192	Y	98.8	Very high	98.3	Very high	73 Å²	73	47.9 Å²	47.9	29%	0.286	24%	0.24	S	C	.	.	H	α-helix	trans	-65.9	-34.1	178.3	-64.9	-74.4	0	0	0	112.8	M188 Y189 F194 E195 Q196 V213 T215	M188-Y192 VanDerWaalsContact O-CD2 3.28Å; M188-Y192 WeakPolarHBondContact O-CD2 3.21Å; Y189-Y192 PolarHBondContact O-N 2.82Å; Y192-F194 VanDerWaalsContact C-N 3.3Å; Y192-F194 PolarHBondContact O-N 3.37Å; Y192-E195 WeakPolarHBondContact O-CB 3.44Å; Y192-E195 PolarHBondContact O-N 2.71Å; Y192-Q196 PolarHBondContact O-N 3.16Å; Y192-Q196 VanDerWaalsContact O-N 3.13Å; Y192-V213 VanDerWaalsContact CB-CG1 3.43Å; Y192-V213 HydrophobicContact CG-CG1 4.37Å; Y192-T215 HydrophobicContact CD1-CG2 3.81Å; Y192-T215 HydrophobicContact CD2-CG2 3.37Å; Y192-T215 HydrophobicContact CE1-CG2 3.82Å; Y192-T215 HydrophobicContact CE2-CG2 3.41Å; Y192-T215 VanDerWaalsContact CE2-CG2 3.41Å; Y192-T215 HydrophobicContact CG-CG2 3.57Å
193	K	98.9	Very high	98.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.8	-37.4	175.2	-174.4	59.4	174.8	-164.4	0	111.5	D89 Y189 G191 E195 Q196 Y197 P209 V213	D89-K193 WeakPolarHBondContact O-CE 3.07Å; D89-K193 PolarHBondContact O-NZ 3.38Å; D89-K193 WeakPolarHBondContact OD2-CE 3.27Å; D89-K193 IonicContact OD2-NZ 3.44Å; D89-K193 PolarHBondContact OD2-NZ 2.88Å; Y189-K193 HydrophobicContact CD1-CB 4.16Å; Y189-K193 HydrophobicContact CE1-CB 3.78Å; Y189-K193 HydrophobicContact CE1-CD 4.3Å; Y189-K193 HydrophobicContact CE1-CG 3.93Å; Y189-K193 WeakPolarHBondContact O-CB 3.45Å; Y189-K193 PolarHBondContact O-N 3.36Å; G191-K193 VanDerWaalsContact C-N 3.32Å; G191-K193 PolarHBondContact O-N 3.42Å; K193-E195 VanDerWaalsContact C-N 3.31Å; K193-E195 PolarHBondContact O-N 3.29Å; K193-Q196 HydrophobicContact CD-CB 4.48Å; K193-Q196 VanDerWaalsContact CD-OE1 3.24Å; K193-Q196 VanDerWaalsContact NZ-OE1 3.07Å; K193-Q196 WeakPolarHBondContact O-CB 3.34Å; K193-Q196 PolarHBondContact O-N 2.91Å; K193-Q196 VanDerWaalsContact O-N 3.14Å; K193-Y197 HydrophobicContact CD-CD2 4.49Å; K193-Y197 HydrophobicContact CD-CE2 4.06Å; K193-Y197 HydrophobicContact CG-CD2 4.2Å; K193-Y197 HydrophobicContact CG-CE2 3.81Å; K193-Y197 WeakPolarHBondContact O-CD2 3.23Å; K193-Y197 PolarHBondContact O-N 3.35Å; K193-P209 PolarHBondContact NZ-O 2.78Å; K193-V213 HydrophobicContact CB-CG2 4.41Å; K193-V213 HydrophobicContact CD-CG2 3.92Å
194	F	98.9	Very high	98.1	Very high	1 Å²	1	45.4 Å²	45.4	0%	0.004	24%	0.244	C	C	.	.	H	α-helix	trans	-61.9	-39.1	173.4	174.8	-113.6	0	0	0	112.2	F85 L87 M190 G191 Y192 Q196 Y197 M198 L257 K258 T259 V303 L306	F85-F194 HydrophobicContact CD2-CD2 4.23Å; F85-F194 HydrophobicContact CD2-CE2 4.14Å; F85-F194 HydrophobicContact CE2-CE2 4.23Å; L87-F194 HydrophobicContact CD2-CB 3.73Å; L87-F194 HydrophobicContact CD2-CD2 4.33Å; M190-F194 WeakPolarHBondContact O-CB 3.4Å; M190-F194 PolarHBondContact O-N 2.6Å; M190-F194 VanDerWaalsContact O-N 3.12Å; G191-F194 WeakPolarHBondContact O-CB 3.39Å; G191-F194 PolarHBondContact O-N 2.92Å; Y192-F194 VanDerWaalsContact C-N 3.3Å; Y192-F194 PolarHBondContact O-N 3.37Å; F194-Q196 VanDerWaalsContact C-N 3.29Å; F194-Q196 PolarHBondContact O-N 3.18Å; F194-Y197 PolarHBondContact O-N 3.2Å; F194-Y197 VanDerWaalsContact O-N 3.16Å; F194-M198 HydrophobicContact CD2-CG 3.96Å; F194-M198 HydrophobicContact CE1-CG 4.08Å; F194-M198 HydrophobicContact CE2-CG 3.46Å; F194-M198 VanDerWaalsContact CE2-CG 3.46Å; F194-M198 HydrophobicContact CE2-SD 4Å; F194-M198 HydrophobicContact CG-CG 4.46Å; F194-M198 HydrophobicContact CZ-CG 3.54Å; F194-M198 HydrophobicContact CZ-SD 4.19Å; F194-M198 WeakPolarHBondContact O-CG 3.32Å; F194-M198 PolarHBondContact O-N 3.41Å; F194-M198 VanDerWaalsContact O-N 3.16Å; F194-L257 HydrophobicContact CD1-CB 4.25Å; F194-L257 HydrophobicContact CE1-CB 4.06Å; F194-L257 HydrophobicContact CE1-CD2 4.47Å; F194-K258 VanDerWaalsContact CE1-O 3.27Å; F194-K258 WeakPolarHBondContact CE1-O 3.18Å; F194-T259 HydrophobicContact CB-CG2 3.36Å; F194-T259 HydrophobicContact CD1-CG2 3.6Å; F194-T259 HydrophobicContact CD2-CG2 4.2Å; F194-T259 HydrophobicContact CE1-CG2 4.43Å; F194-T259 HydrophobicContact CG-CG2 3.45Å; F194-T259 VanDerWaalsContact CG-CG2 3.45Å; F194-V303 HydrophobicContact CD2-CG2 4.15Å; F194-V303 HydrophobicContact CE2-CG1 4.13Å; F194-V303 HydrophobicContact CE2-CG2 4.47Å; F194-L306 HydrophobicContact CE2-CD2 3.74Å; F194-L306 HydrophobicContact CZ-CD2 3.59Å
195	E	98.9	Very high	98.1	Very high	21 Å²	21	42.6 Å²	42.6	10%	0.098	24%	0.236	C	C	.	.	H	α-helix	trans	-60.9	-40.5	173.5	-58.8	165.1	-147.5	0	0	111.3	R71 G191 Y192 K193 Y197 M198 C199 L257	R71-E195 IonicContact CZ-OE2 3.67Å; R71-E195 IonicContact NH1-OE2 2.82Å; R71-E195 IonicContact NH2-OE2 3.86Å; R71-E195 PolarHBondContact NH2-OE2 2.83Å; G191-E195 PolarHBondContact O-N 2.85Å; Y192-E195 WeakPolarHBondContact O-CB 3.44Å; Y192-E195 PolarHBondContact O-N 2.71Å; K193-E195 VanDerWaalsContact C-N 3.31Å; K193-E195 PolarHBondContact O-N 3.29Å; E195-Y197 VanDerWaalsContact C-N 3.26Å; E195-Y197 PolarHBondContact O-N 2.85Å; E195-M198 PolarHBondContact O-N 2.82Å; E195-M198 VanDerWaalsContact O-N 3.09Å; E195-C199 WeakPolarHBondContact O-CB 3.16Å; E195-C199 PolarHBondContact O-N 2.9Å; E195-C199 PolarHBondContact O-SG 2.81Å; E195-C199 VanDerWaalsContact O-SG 3.39Å; E195-L257 HydrophobicContact CB-CD1 4.13Å; E195-L257 HydrophobicContact CG-CB 4.18Å; E195-L257 HydrophobicContact CG-CD1 4.07Å
196	Q	98.8	Very high	98.1	Very high	22 Å²	22	42.6 Å²	42.6	10%	0.103	25%	0.251	C	S	.	.	H	α-helix	trans	-60.6	-33.4	175.8	-164.9	-175.8	13.6	0	0	112.7	Y192 K193 F194 P207 D208 P209 G211	Y192-Q196 PolarHBondContact O-N 3.16Å; Y192-Q196 VanDerWaalsContact O-N 3.13Å; K193-Q196 HydrophobicContact CD-CB 4.48Å; K193-Q196 VanDerWaalsContact CD-OE1 3.24Å; K193-Q196 VanDerWaalsContact NZ-OE1 3.07Å; K193-Q196 WeakPolarHBondContact O-CB 3.34Å; K193-Q196 PolarHBondContact O-N 2.91Å; K193-Q196 VanDerWaalsContact O-N 3.14Å; F194-Q196 VanDerWaalsContact C-N 3.29Å; F194-Q196 PolarHBondContact O-N 3.18Å; Q196-P207 WeakPolarHBondContact O-CB 3.43Å; Q196-D208 WeakPolarHBondContact CG-O 3.49Å; Q196-D208 PolarHBondContact NE2-O 3.07Å; Q196-P209 PolarHBondContact NE2-O 2.95Å; Q196-G211 PolarHBondContact NE2-O 2.88Å; Q196-G211 VanDerWaalsContact NE2-O 3.11Å
197	Y	98.8	Very high	98.1	Very high	32 Å²	32	42.7 Å²	42.7	13%	0.125	26%	0.255	C	S	.	.	H	α-helix	trans	-77.7	-19.9	175.2	-78	-72.8	0	0	0	114.3	F85 D86 L87 K193 F194 E195 P207 P209	F85-Y197 HydrophobicContact CB-CD1 4.06Å; F85-Y197 HydrophobicContact CB-CD2 3.72Å; F85-Y197 HydrophobicContact CB-CE1 4.3Å; F85-Y197 HydrophobicContact CB-CE2 3.97Å; F85-Y197 HydrophobicContact CB-CG 3.76Å; F85-Y197 AromaticContact CD1-CD1 3.57Å; F85-Y197 HydrophobicContact CD1-CD1 3.57Å; F85-Y197 HydrophobicContact CD1-CE1 4.21Å; F85-Y197 AromaticContact CD1-CG 3.8Å; F85-Y197 HydrophobicContact CD1-CG 3.8Å; F85-Y197 HydrophobicContact CD2-CG 4.47Å; F85-Y197 HydrophobicContact CE1-CD1 4.22Å; F85-Y197 HydrophobicContact CE1-CG 4.47Å; F85-Y197 HydrophobicContact CG-CD1 4.01Å; F85-Y197 HydrophobicContact CG-CD2 4.23Å; F85-Y197 AromaticContact CG-CG 3.78Å; F85-Y197 HydrophobicContact CG-CG 3.78Å; D86-Y197 WeakPolarHBondContact O-CE2 3.34Å; D86-Y197 PolarHBondContact O-OH 3.44Å; L87-Y197 HydrophobicContact CD2-CD2 4.14Å; L87-Y197 HydrophobicContact CD2-CE2 4.37Å; K193-Y197 HydrophobicContact CD-CD2 4.49Å; K193-Y197 HydrophobicContact CD-CE2 4.06Å; K193-Y197 HydrophobicContact CG-CD2 4.2Å; K193-Y197 HydrophobicContact CG-CE2 3.81Å; K193-Y197 WeakPolarHBondContact O-CD2 3.23Å; K193-Y197 PolarHBondContact O-N 3.35Å; F194-Y197 PolarHBondContact O-N 3.2Å; F194-Y197 VanDerWaalsContact O-N 3.16Å; E195-Y197 VanDerWaalsContact C-N 3.26Å; E195-Y197 PolarHBondContact O-N 2.85Å; Y197-P207 WeakPolarHBondContact O-CB 3.43Å; Y197-P207 VanDerWaalsContact O-CG 3.27Å; Y197-P207 WeakPolarHBondContact O-CG 3.5Å; Y197-P209 HydrophobicContact CD1-CB 3.81Å; Y197-P209 HydrophobicContact CD1-CG 4.17Å; Y197-P209 HydrophobicContact CE1-CB 3.4Å; Y197-P209 HydrophobicContact CE1-CG 3.74Å; Y197-P209 HydrophobicContact CE2-CB 4.47Å
198	M	98.8	Very high	98.1	Very high	0 Å²	0	45 Å²	45	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-109	-2	-173.3	-67.6	-62.6	-62.2	0	0	113.3	Y73 S74 P75 F85 F194 E195 L257 V293 L306	Y73-M198 HydrophobicContact CD2-CE 4.46Å; Y73-M198 HydrophobicContact CE2-CE 3.49Å; Y73-M198 VanDerWaalsContact CE2-CE 3.49Å; S74-M198 PolarHBondContact N-O 3.38Å; P75-M198 HydrophobicContact CB-CE 3.98Å; F85-M198 HydrophobicContact CE2-CG 4.37Å; F85-M198 HydrophobicContact CE2-SD 3.49Å; F85-M198 WeakPolarHBondContact CE2-SD 3.39Å; F85-M198 HydrophobicContact CZ-SD 3.82Å; F194-M198 HydrophobicContact CD2-CG 3.96Å; F194-M198 HydrophobicContact CE1-CG 4.08Å; F194-M198 HydrophobicContact CE2-CG 3.46Å; F194-M198 VanDerWaalsContact CE2-CG 3.46Å; F194-M198 HydrophobicContact CE2-SD 4Å; F194-M198 HydrophobicContact CG-CG 4.46Å; F194-M198 HydrophobicContact CZ-CG 3.54Å; F194-M198 HydrophobicContact CZ-SD 4.19Å; F194-M198 WeakPolarHBondContact O-CG 3.32Å; F194-M198 PolarHBondContact O-N 3.41Å; F194-M198 VanDerWaalsContact O-N 3.16Å; E195-M198 PolarHBondContact O-N 2.82Å; E195-M198 VanDerWaalsContact O-N 3.09Å; M198-L257 HydrophobicContact CB-CD1 3.77Å; M198-L257 HydrophobicContact CB-CD2 4.33Å; M198-V293 HydrophobicContact CE-CG1 4.22Å; M198-L306 HydrophobicContact CE-CD1 3.91Å; M198-L306 HydrophobicContact CE-CD2 4.06Å; M198-L306 HydrophobicContact SD-CD1 4.01Å; M198-L306 HydrophobicContact SD-CD2 4.05Å
199	C	98.8	Very high	98.1	Very high	6 Å²	6	44 Å²	44	4%	0.041	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	144.2	-174.1	-67.9	0	0	0	0	111.8	R71 Y72 E195 P207 C240 L257	R71-C199 HydrophobicContact CB-CB 3.87Å; Y72-C199 CarbonylContact O-C 3.55Å; Y72-C199 VanDerWaalsContact O-CA 3.29Å; Y72-C199 WeakPolarHBondContact O-CA 3.5Å; E195-C199 WeakPolarHBondContact O-CB 3.16Å; E195-C199 PolarHBondContact O-N 2.9Å; E195-C199 PolarHBondContact O-SG 2.81Å; E195-C199 VanDerWaalsContact O-SG 3.39Å; C199-P207 WeakPolarHBondContact O-CA 2.98Å; C199-P207 WeakPolarHBondContact O-CB 3.41Å; C199-C240 VanDerWaalsContact SG-CB 3.58Å; C199-L257 VanDerWaalsContact SG-CD1 3.53Å
200	A	98.6	Very high	98.1	Very high	2 Å²	2	47.8 Å²	47.8	2%	0.017	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	156.6	170.1	0	0	0	0	0	110.8	Y72 K202 G205	Y72-A200 PolarHBondContact N-O 3.43Å; Y72-A200 PolarHBondContact O-N 2.81Å; A200-K202 VanDerWaalsContact C-N 3.26Å; A200-K202 PolarHBondContact O-N 2.78Å; A200-G205 WeakPolarHBondContact CB-O 3.26Å
201	D	97.9	Very high	97.9	Very high	132 Å²	132	48.9 Å²	48.9	71%	0.706	31%	0.305	S	S	*	.	S	Bend	trans	-74.2	-17.2	179.6	-64.9	-20.7	0	0	0	113.4	Y72	Y72-D201 WeakPolarHBondContact CE2-O 3.3Å
202	K	97.3	Very high	97.9	Very high	154 Å²	154	52 Å²	52	67%	0.67	31%	0.314	S	S	*	.	S	Bend	trans	-130.9	151	-179.7	-65.8	-177.8	-177.9	177	0	111.1	Y72 A200 G204 G205	Y72-K202 VanDerWaalsContact CD2-C 3.41Å; A200-K202 VanDerWaalsContact C-N 3.26Å; A200-K202 PolarHBondContact O-N 2.78Å; K202-G204 PolarHBondContact O-N 3.11Å; K202-G205 PolarHBondContact O-N 3.41Å
203	P	96.3	Very high	97.9	Very high	78 Å²	78	49 Å²	49	51%	0.506	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	127.9	174.1	-16	24.7	0	0	0	111.1	Y72 G205 P243	Y72-P203 HydrophobicContact CD1-CB 4.08Å; Y72-P203 HydrophobicContact CD1-CG 3.8Å; Y72-P203 HydrophobicContact CD2-CG 4.38Å; Y72-P203 HydrophobicContact CE1-CB 4.29Å; Y72-P203 HydrophobicContact CE1-CG 3.55Å; Y72-P203 HydrophobicContact CE2-CG 4.14Å; Y72-P203 HydrophobicContact CG-CB 4.42Å; Y72-P203 HydrophobicContact CG-CG 4.22Å; P203-G205 PolarHBondContact O-N 2.9Å; P203-P243 HydrophobicContact CB-CG 4.16Å
204	G	94.5	Very high	97.9	Very high	78 Å²	78	50.2 Å²	50.2	80%	0.804	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	4.6	-179.1	0	0	0	0	0	115.1	K202	K202-G204 PolarHBondContact O-N 3.11Å
205	G	97	Very high	97.9	Very high	25 Å²	25	51 Å²	51	26%	0.258	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-70.4	170.5	170.2	0	0	0	0	0	111.8	S74 A200 K202 P203	S74-G205 PolarHBondContact OG-O 3.17Å; S74-G205 VanDerWaalsContact OG-O 3.06Å; A200-G205 WeakPolarHBondContact CB-O 3.26Å; K202-G205 PolarHBondContact O-N 3.41Å; P203-G205 PolarHBondContact O-N 2.9Å
206	S	97.5	Very high	97.9	Very high	104 Å²	104	51.3 Å²	51.3	73%	0.727	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-97.8	145.2	174.1	-56.7	0	0	0	0	110.8
207	P	98.3	Very high	97.9	Very high	38 Å²	38	53 Å²	53	25%	0.247	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-60	142.3	172.2	-22.6	34.6	0	0	0	111.8	S74 Q196 Y197 C199	S74-P207 WeakPolarHBondContact O-CG 3.28Å; S74-P207 WeakPolarHBondContact OG-CD 3.31Å; Q196-P207 WeakPolarHBondContact O-CB 3.43Å; Y197-P207 WeakPolarHBondContact O-CB 3.43Å; Y197-P207 VanDerWaalsContact O-CG 3.27Å; Y197-P207 WeakPolarHBondContact O-CG 3.5Å; C199-P207 WeakPolarHBondContact O-CA 2.98Å; C199-P207 WeakPolarHBondContact O-CB 3.41Å
208	D	98.1	Very high	97.9	Very high	95 Å²	95	51.8 Å²	51.8	51%	0.508	33%	0.325	S	S	.	.			trans	-116.2	96	174	-179.7	6.9	0	0	0	110.4	Q196 S210	Q196-D208 WeakPolarHBondContact CG-O 3.49Å; Q196-D208 PolarHBondContact NE2-O 3.07Å; D208-S210 PolarHBondContact O-N 3.23Å; D208-S210 VanDerWaalsContact OD1-CB 3.26Å; D208-S210 WeakPolarHBondContact OD1-CB 3.28Å; D208-S210 PolarHBondContact OD1-N 2.84Å; D208-S210 PolarHBondContact OD1-OG 2.56Å; D208-S210 PolarHBondContact OD2-OG 2.85Å
209	P	97.6	Very high	97.9	Very high	39 Å²	39	52.1 Å²	52.1	25%	0.253	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-5.9	178.6	32	-35.1	0	0	0	113.6	R94 K193 Q196 Y197	R94-P209 PolarHBondContact NH1-O 2.85Å; K193-P209 PolarHBondContact NZ-O 2.78Å; Q196-P209 PolarHBondContact NE2-O 2.95Å; Y197-P209 HydrophobicContact CD1-CB 3.81Å; Y197-P209 HydrophobicContact CD1-CG 4.17Å; Y197-P209 HydrophobicContact CE1-CB 3.4Å; Y197-P209 HydrophobicContact CE1-CG 3.74Å; Y197-P209 HydrophobicContact CE2-CB 4.47Å
210	S	98.1	Very high	97.9	Very high	79 Å²	79	52.1 Å²	52.1	55%	0.552	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-22.3	-177.8	76.8	0	0	0	0	113.5	R94 D208	R94-S210 WeakPolarHBondContact CD-O 3.41Å; R94-S210 PolarHBondContact NH1-O 3.29Å; D208-S210 PolarHBondContact O-N 3.23Å; D208-S210 VanDerWaalsContact OD1-CB 3.26Å; D208-S210 WeakPolarHBondContact OD1-CB 3.28Å; D208-S210 PolarHBondContact OD1-N 2.84Å; D208-S210 PolarHBondContact OD1-OG 2.56Å; D208-S210 PolarHBondContact OD2-OG 2.85Å
211	G	96.4	Very high	97.9	Very high	28 Å²	28	52 Å²	52	29%	0.289	33%	0.326	S	S	.	.	S	Bend	trans	-67.1	176.7	176.3	0	0	0	0	0	114.3	R94 Q196	R94-G211 PolarHBondContact NH1-O 3.32Å; Q196-G211 PolarHBondContact NE2-O 2.88Å; Q196-G211 VanDerWaalsContact NE2-O 3.11Å
212	E	97.9	Very high	97.9	Very high	86 Å²	86	45.8 Å²	45.8	40%	0.402	29%	0.292	S	S	.	.			trans	-80.4	149.6	176.5	-64.3	-179.7	143.6	0	0	112.6	R94 R96	R94-E212 HydrophobicContact CB-CG 4.31Å; R94-E212 HydrophobicContact CG-CG 4.48Å; R94-E212 WeakPolarHBondContact O-CA 3.39Å; R96-E212 WeakPolarHBondContact CD-OE2 3.49Å; R96-E212 IonicContact CZ-OE1 3.55Å; R96-E212 IonicContact CZ-OE2 3.69Å; R96-E212 IonicContact NE-OE1 3.59Å; R96-E212 PolarHBondContact NE-OE1 2.98Å; R96-E212 IonicContact NE-OE2 3.6Å; R96-E212 PolarHBondContact NE-OE2 3.08Å; R96-E212 IonicContact NH1-OE2 2.68Å; R96-E212 PolarHBondContact NH1-OE2 3.48Å; R96-E212 IonicContact NH2-OE1 2.75Å; R96-E212 PolarHBondContact NH2-OE1 3.44Å; R96-E212 IonicContact NH2-OE2 2.83Å; R96-E212 PolarHBondContact NH2-OE2 3.31Å
213	V	98.8	Very high	98	Very high	9 Å²	9	38.5 Å²	38.5	6%	0.055	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	102.5	167.2	178.9	0	0	0	0	108.1	R94 Y95 R96 Y189 Y192 K193 T215	R94-V213 PolarHBondContact O-N 2.68Å; Y95-V213 HydrophobicContact CD2-CB 4.26Å; Y95-V213 HydrophobicContact CD2-CG1 4.14Å; Y95-V213 WeakPolarHBondContact CD2-O 3.41Å; Y95-V213 HydrophobicContact CE2-CG1 4.3Å; R96-V213 PolarHBondContact N-O 2.83Å; Y189-V213 HydrophobicContact CD2-CB 4.14Å; Y189-V213 HydrophobicContact CD2-CG1 4.15Å; Y189-V213 HydrophobicContact CD2-CG2 4.35Å; Y189-V213 HydrophobicContact CE2-CB 3.59Å; Y189-V213 HydrophobicContact CE2-CG1 4.09Å; Y189-V213 HydrophobicContact CE2-CG2 3.53Å; Y192-V213 VanDerWaalsContact CB-CG1 3.43Å; Y192-V213 HydrophobicContact CG-CG1 4.37Å; K193-V213 HydrophobicContact CB-CG2 4.41Å; K193-V213 HydrophobicContact CD-CG2 3.92Å; V213-T215 HydrophobicContact CG1-CG2 4.42Å
214	N	98.7	Very high	98.1	Very high	26 Å²	26	36.5 Å²	36.5	14%	0.139	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	108.3	179.3	-174.3	-13.3	0	0	0	111.4	A59 R96 N216 V217	A59-N214 WeakPolarHBondContact CA-ND2 3.39Å; A59-N214 WeakPolarHBondContact CB-ND2 3.46Å; A59-N214 PolarHBondContact O-ND2 3.3Å; R96-N214 HydrophobicContact CB-CB 4.05Å; R96-N214 WeakPolarHBondContact O-CA 3.47Å; R96-N214 PolarHBondContact O-OD1 3.02Å; N214-N216 PolarHBondContact O-N 2.75Å; N214-N216 VanDerWaalsContact OD1-CB 3.25Å; N214-N216 WeakPolarHBondContact OD1-CB 3.26Å; N214-N216 PolarHBondContact OD1-N 3.15Å; N214-N216 PolarHBondContact OD1-ND2 3.05Å; N214-V217 HydrophobicContact CB-CG2 4.33Å; N214-V217 PolarHBondContact O-N 2.83Å
215	T	98.5	Very high	98.3	Very high	16 Å²	16	32.8 Å²	32.8	10%	0.098	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	8.6	-175.2	65.2	0	0	0	0	113.7	Y95 R96 P97 R98 Y192 V213	Y95-T215 HydrophobicContact CE2-CG2 3.87Å; R96-T215 PolarHBondContact O-N 3.07Å; P97-T215 WeakPolarHBondContact CA-OG1 3.37Å; R98-T215 PolarHBondContact N-OG1 2.72Å; Y192-T215 HydrophobicContact CD1-CG2 3.81Å; Y192-T215 HydrophobicContact CD2-CG2 3.37Å; Y192-T215 HydrophobicContact CE1-CG2 3.82Å; Y192-T215 HydrophobicContact CE2-CG2 3.41Å; Y192-T215 VanDerWaalsContact CE2-CG2 3.41Å; Y192-T215 HydrophobicContact CG-CG2 3.57Å; V213-T215 HydrophobicContact CG1-CG2 4.42Å
216	N	98.7	Very high	98.4	Very high	28 Å²	28	36.1 Å²	36.1	15%	0.15	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-33.8	163	-64.2	-74.1	0	0	0	111.5	D58 R61 R98 N214 A218	D58-N216 CarbonylContact O-C 3.26Å; R61-N216 HydrophobicContact CB-CB 4.11Å; R61-N216 VanDerWaalsContact CD-O 3.23Å; R61-N216 WeakPolarHBondContact CD-O 3.36Å; R61-N216 PolarHBondContact NH1-O 2.98Å; R98-N216 WeakPolarHBondContact CA-OD1 3.34Å; R98-N216 WeakPolarHBondContact CG-OD1 3.34Å; N214-N216 PolarHBondContact O-N 2.75Å; N214-N216 VanDerWaalsContact OD1-CB 3.25Å; N214-N216 WeakPolarHBondContact OD1-CB 3.26Å; N214-N216 PolarHBondContact OD1-N 3.15Å; N214-N216 PolarHBondContact OD1-ND2 3.05Å; N216-A218 PolarHBondContact O-N 3.4Å
217	V	98.8	Very high	98.5	Very high	59 Å²	59	31.2 Å²	31.2	36%	0.358	18%	0.175	S	C	.	.			trans	-68.2	128.3	179.7	-177	0	0	0	0	109	L57 A59 A69 N214	L57-V217 VanDerWaalsContact O-CA 3.27Å; L57-V217 WeakPolarHBondContact O-CA 3.46Å; A59-V217 HydrophobicContact CB-CG2 4.16Å; A69-V217 HydrophobicContact CB-CG1 3.93Å; N214-V217 HydrophobicContact CB-CG2 4.33Å; N214-V217 PolarHBondContact O-N 2.83Å
218	A	98.8	Very high	98.5	Very high	5 Å²	5	30.5 Å²	30.5	4%	0.041	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	144.2	175.9	0	0	0	0	0	110.6	S56 L57 A69 N216 E237	S56-A218 CarbonylContact C-O 3.6Å; S56-A218 WeakPolarHBondContact CA-O 3.38Å; L57-A218 HydrophobicContact CB-CB 4.36Å; L57-A218 HydrophobicContact CD1-CB 4.47Å; L57-A218 PolarHBondContact N-O 3.28Å; L57-A218 PolarHBondContact O-N 3.5Å; A69-A218 WeakPolarHBondContact CB-O 3.33Å; N216-A218 PolarHBondContact O-N 3.4Å; A218-E237 HydrophobicContact CB-CG 4.37Å
219	F	98.9	Very high	98.5	Very high	7 Å²	7	31.8 Å²	31.8	3%	0.031	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	128.1	166.7	170.8	-99.8	0	0	0	109.3	C54 A67 A69 L70 E237 V238 Y254	C54-F219 HydrophobicContact CB-CE2 3.52Å; C54-F219 HydrophobicContact CB-CZ 3.66Å; A67-F219 HydrophobicContact CB-CD2 4.23Å; A67-F219 HydrophobicContact CB-CE2 3.62Å; A67-F219 HydrophobicContact CB-CZ 4.49Å; A69-F219 HydrophobicContact CB-CB 4.06Å; L70-F219 HydrophobicContact CB-CB 4.45Å; L70-F219 HydrophobicContact CB-CD1 4.22Å; L70-F219 HydrophobicContact CB-CD2 3.79Å; L70-F219 HydrophobicContact CB-CE1 4.48Å; L70-F219 HydrophobicContact CB-CE2 4.05Å; L70-F219 HydrophobicContact CB-CG 3.88Å; L70-F219 HydrophobicContact CB-CZ 4.39Å; L70-F219 HydrophobicContact CD1-CD1 3.58Å; L70-F219 HydrophobicContact CD1-CE1 3.68Å; L70-F219 HydrophobicContact CD1-CG 4.1Å; L70-F219 HydrophobicContact CD1-CZ 4.24Å; L70-F219 HydrophobicContact CD2-CZ 4.3Å; L70-F219 HydrophobicContact CG-CD1 4.43Å; L70-F219 HydrophobicContact CG-CE1 4.44Å; F219-E237 WeakPolarHBondContact O-CA 3.13Å; F219-V238 HydrophobicContact CD1-CB 3.89Å; F219-V238 HydrophobicContact CD1-CG1 4.32Å; F219-V238 HydrophobicContact CE1-CB 4.11Å; F219-V238 HydrophobicContact CE1-CG1 4.36Å; F219-V238 PolarHBondContact O-N 3.47Å; F219-Y254 HydrophobicContact CE1-CE1 4.18Å
220	C	98.9	Very high	98.6	Very high	6 Å²	6	30.4 Å²	30.4	4%	0.041	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	125.8	-177	-65.1	0	0	0	0	111	C54 F55 G236	C54-C220 CarbonylContact C-O 3.39Å; C54-C220 WeakPolarHBondContact CA-O 3.34Å; C54-C220 VanDerWaalsContact CB-O 3.28Å; C54-C220 WeakPolarHBondContact CB-O 3.49Å; F55-C220 HydrophobicContact CD1-CB 4.24Å; F55-C220 HydrophobicContact CD2-CB 4.03Å; F55-C220 HydrophobicContact CE1-CB 3.73Å; F55-C220 HydrophobicContact CE2-CB 3.49Å; F55-C220 VanDerWaalsContact CE2-CB 3.49Å; F55-C220 HydrophobicContact CG-CB 4.36Å; F55-C220 HydrophobicContact CZ-CB 3.31Å; F55-C220 PolarHBondContact N-O 3.49Å; F55-C220 PolarHBondContact O-N 2.95Å; C220-G236 WeakPolarHBondContact CA-O 3.34Å
221	S	98.9	Very high	98.6	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.007	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	139.6	168.8	176	0	0	0	0	109.4	E51 L223 S235 G236	E51-S221 VanDerWaalsContact OE2-CB 3.25Å; E51-S221 WeakPolarHBondContact OE2-CB 3.46Å; E51-S221 PolarHBondContact OE2-OG 3.19Å; S221-L223 WeakPolarHBondContact OG-CD1 3.47Å; S221-S235 CarbonylContact O-C 3.37Å; S221-S235 WeakPolarHBondContact O-CA 3.37Å; S221-S235 WeakPolarHBondContact O-CB 3.48Å; S221-S235 PolarHBondContact O-OG 3.01Å; S221-G236 PolarHBondContact N-O 2.89Å; S221-G236 PolarHBondContact O-N 3.3Å
222	V	98.9	Very high	98.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	120.6	173.8	-173.3	0	0	0	0	108.7	E51 L52 G53 F55 L109 W112 L233	E51-V222 CarbonylContact C-O 3.57Å; E51-V222 WeakPolarHBondContact CA-O 3.49Å; L52-V222 PolarHBondContact N-O 3.47Å; G53-V222 PolarHBondContact O-N 3.23Å; F55-V222 HydrophobicContact CD1-CG2 3.86Å; F55-V222 HydrophobicContact CE1-CG2 3.74Å; L109-V222 HydrophobicContact CD1-CG1 4.15Å; L109-V222 HydrophobicContact CD1-CG2 4.35Å; W112-V222 HydrophobicContact CD2-CB 4.11Å; W112-V222 HydrophobicContact CD2-CG1 4Å; W112-V222 HydrophobicContact CD2-CG2 3.72Å; W112-V222 HydrophobicContact CE3-CB 4.28Å; W112-V222 HydrophobicContact CE3-CG1 3.65Å; W112-V222 HydrophobicContact CE3-CG2 4.22Å; W112-V222 HydrophobicContact CG-CG2 3.87Å; W112-V222 HydrophobicContact CH2-CB 4.26Å; W112-V222 HydrophobicContact CH2-CG1 3.85Å; W112-V222 HydrophobicContact CZ2-CB 4.06Å; W112-V222 HydrophobicContact CZ2-CG1 4.15Å; W112-V222 HydrophobicContact CZ2-CG2 4.42Å; W112-V222 HydrophobicContact CZ3-CB 4.36Å; W112-V222 HydrophobicContact CZ3-CG1 3.58Å; V222-L233 HydrophobicContact CG1-CD2 4.18Å; V222-L233 HydrophobicContact CG1-CG 4.44Å
223	L	98.9	Very high	98.8	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	148.2	-168.9	-56.6	106.3	0	0	0	112.5	P49 S50 S221 L233 F234 P251 P287	P49-L223 HydrophobicContact CB-CD2 3.87Å; S50-L223 CarbonylContact O-C 3.57Å; S50-L223 WeakPolarHBondContact O-CA 3.46Å; S221-L223 WeakPolarHBondContact OG-CD1 3.47Å; L223-L233 WeakPolarHBondContact O-CA 3.43Å; L223-F234 HydrophobicContact CB-CE1 4.34Å; L223-F234 HydrophobicContact CB-CE2 4.16Å; L223-F234 HydrophobicContact CB-CZ 3.99Å; L223-F234 HydrophobicContact CD1-CD2 4.37Å; L223-F234 HydrophobicContact CD1-CE2 3.94Å; L223-F234 PolarHBondContact N-O 3Å; L223-F234 PolarHBondContact O-N 3.24Å; L223-P251 HydrophobicContact CD2-CB 4.02Å; L223-P251 HydrophobicContact CD2-CG 3.95Å; L223-P287 HydrophobicContact CD1-CB 3.96Å; L223-P287 HydrophobicContact CD2-CB 4.08Å; L223-P287 VanDerWaalsContact CD2-O 3.25Å; L223-P287 WeakPolarHBondContact CD2-O 3.38Å
224	R	98.8	Very high	98.8	Very high	36 Å²	36	22.1 Å²	22.1	14%	0.136	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	129.8	169	-178.2	172.5	-179.7	-145.7	1.2	110.4	P49 S50 L52 E121 W126 L232	P49-R224 WeakPolarHBondContact CA-O 3.37Å; S50-R224 PolarHBondContact N-O 3.29Å; S50-R224 PolarHBondContact O-N 2.97Å; L52-R224 HydrophobicContact CD1-CB 3.9Å; L52-R224 HydrophobicContact CD2-CB 3.81Å; L52-R224 HydrophobicContact CG-CB 3.79Å; E121-R224 IonicContact OE2-NH1 3.45Å; E121-R224 PolarHBondContact OE2-NH1 2.76Å; W126-R224 VanDerWaalsContact CE2-NE 3.32Å; W126-R224 HydrophobicContact CH2-CG 3.84Å; W126-R224 HydrophobicContact CZ2-CG 3.58Å; W126-R224 VanDerWaalsContact CZ2-NE 3.34Å; R224-L232 WeakPolarHBondContact CA-O 3.3Å
225	S	98.8	Very high	98.8	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.007	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	-171.4	170.4	-171.1	0	0	0	0	110.9	Y46 R47 L232	Y46-S225 WeakPolarHBondContact CE2-OG 3.47Å; R47-S225 PolarHBondContact O-OG 3.05Å; S225-L232 PolarHBondContact N-O 3.16Å; S225-L232 PolarHBondContact O-N 3.09Å
226	R	98.8	Very high	98.8	Very high	94 Å²	94	20.3 Å²	20.3	36%	0.355	11%	0.109	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	128.5	172.5	173.5	167.2	65.1	84.6	-4.5	109.5	F45 Y46 R47 G228 H230	F45-R226 VanDerWaalsContact CD1-NH1 3.29Å; F45-R226 HydrophobicContact CE1-CB 4.36Å; F45-R226 HydrophobicContact CE1-CG 4.3Å; F45-R226 VanDerWaalsContact CE1-NH1 3.3Å; Y46-R226 CarbonylContact C-O 3.48Å; Y46-R226 WeakPolarHBondContact CA-O 3.34Å; R47-R226 HydrophobicContact CB-CB 4.03Å; R47-R226 PolarHBondContact N-O 2.83Å; R226-G228 VanDerWaalsContact CG-O 3.26Å; R226-G228 WeakPolarHBondContact CG-O 3.49Å; R226-G228 PolarHBondContact NH1-O 3.17Å; R226-H230 CarbonylContact C-O 3.59Å; R226-H230 VanDerWaalsContact CA-O 3.27Å; R226-H230 WeakPolarHBondContact CA-O 3.37Å; R226-H230 WeakPolarHBondContact CG-O 3.01Å
227	L	98.9	Very high	98.8	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	116.6	173	174.6	53.9	0	0	0	109.3	P44 Y46 N229 H230 L232 M331 C334 A335 L338	P44-L227 HydrophobicContact CB-CD1 4.25Å; P44-L227 HydrophobicContact CG-CD1 3.87Å; Y46-L227 HydrophobicContact CD2-CB 3.97Å; Y46-L227 HydrophobicContact CD2-CD1 4.15Å; Y46-L227 HydrophobicContact CE2-CB 4.28Å; L227-N229 PolarHBondContact O-N 3.05Å; L227-H230 PolarHBondContact N-O 3.04Å; L227-H230 WeakPolarHBondContact O-CB 3.45Å; L227-H230 PolarHBondContact O-CD2 2.9Å; L227-H230 PolarHBondContact O-N 2.83Å; L227-L232 HydrophobicContact CB-CD1 4.1Å; L227-M331 HydrophobicContact CD1-CB 4.46Å; L227-M331 HydrophobicContact CD1-CE 3.67Å; L227-M331 HydrophobicContact CD2-CE 4.04Å; L227-M331 HydrophobicContact CG-CE 4.4Å; L227-C334 HydrophobicContact CD2-CB 3.81Å; L227-A335 HydrophobicContact CD1-CB 4.38Å; L227-A335 HydrophobicContact CD2-CB 4.16Å; L227-A335 HydrophobicContact CG-CB 4.01Å; L227-L338 HydrophobicContact CB-CD1 4.41Å; L227-L338 HydrophobicContact CD2-CD1 4.11Å
228	G	98.6	Very high	98.8	Very high	23 Å²	23	19.7 Å²	19.7	24%	0.237	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	-123.7	-170.9	0	0	0	0	0	110.3	F45 R226	F45-G228 PolarHBondContact O-N 3.18Å; R226-G228 VanDerWaalsContact CG-O 3.26Å; R226-G228 WeakPolarHBondContact CG-O 3.49Å; R226-G228 PolarHBondContact NH1-O 3.17Å
229	N	98.1	Very high	98.8	Very high	122 Å²	122	20 Å²	20	65%	0.652	10%	0.103	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.2	9.3	175.3	64.6	-41.8	0	0	0	114	L227 P231	L227-N229 PolarHBondContact O-N 3.05Å; N229-P231 WeakPolarHBondContact O-CD 3.34Å
230	H	98.8	Very high	98.8	Very high	11 Å²	11	19.7 Å²	19.7	5%	0.051	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	104.2	-175.3	-54.4	-65.9	0	0	0	111.5	R226 L227 A335 L338 S339	R226-H230 CarbonylContact C-O 3.59Å; R226-H230 VanDerWaalsContact CA-O 3.27Å; R226-H230 WeakPolarHBondContact CA-O 3.37Å; R226-H230 WeakPolarHBondContact CG-O 3.01Å; L227-H230 PolarHBondContact N-O 3.04Å; L227-H230 WeakPolarHBondContact O-CB 3.45Å; L227-H230 PolarHBondContact O-CD2 2.9Å; L227-H230 PolarHBondContact O-N 2.83Å; H230-A335 PolarHBondContact NE2-O 3.5Å; H230-L338 HydrophobicContact CB-CB 4.32Å; H230-L338 HydrophobicContact CB-CD1 3.9Å; H230-S339 PolarHBondContact CE1-OG 2.72Å; H230-S339 VanDerWaalsContact CE1-OG 3.31Å; H230-S339 PolarHBondContact NE2-N 2.9Å; H230-S339 PolarHBondContact NE2-OG 3.33Å
231	P	98.8	Very high	98.8	Very high	25 Å²	25	20.2 Å²	20.2	16%	0.162	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	140.2	171	-14.4	29.1	0	0	0	110.5	W126 G129 A130 T131 N229	W126-P231 HydrophobicContact CZ2-CB 4.16Å; G129-P231 WeakPolarHBondContact O-CD 3.49Å; A130-P231 WeakPolarHBondContact CA-O 3.49Å; A130-P231 HydrophobicContact CB-CB 4.07Å; T131-P231 PolarHBondContact N-O 2.6Å; N229-P231 WeakPolarHBondContact O-CD 3.34Å
232	L	98.9	Very high	98.7	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.01	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	132	-178	-57.7	175.3	0	0	0	109.8	Y46 L138 R224 S225 L227 F234 L338	Y46-L232 HydrophobicContact CE2-CD1 4.25Å; L138-L232 HydrophobicContact CD1-CD1 4.32Å; R224-L232 WeakPolarHBondContact CA-O 3.3Å; S225-L232 PolarHBondContact N-O 3.16Å; S225-L232 PolarHBondContact O-N 3.09Å; L227-L232 HydrophobicContact CB-CD1 4.1Å; L232-F234 HydrophobicContact CB-CD1 3.95Å; L232-F234 HydrophobicContact CB-CE1 4.31Å; L232-L338 HydrophobicContact CD2-CD1 3.96Å; L232-L338 HydrophobicContact CD2-CD2 4.47Å
233	L	98.9	Very high	98.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	119.3	159.9	-175.3	151.6	0	0	0	106.8	L52 L109 W112 V113 L120 W126 L127 T131 V132 T133 V222 L223	L52-L233 HydrophobicContact CD1-CD1 4.13Å; L109-L233 HydrophobicContact CD1-CD2 3.98Å; L109-L233 HydrophobicContact CG-CD2 4.49Å; W112-L233 HydrophobicContact CZ3-CD1 4.31Å; V113-L233 HydrophobicContact CG2-CD1 4.32Å; V113-L233 HydrophobicContact CG2-CD2 3.79Å; L120-L233 HydrophobicContact CD1-CD1 4.49Å; L120-L233 HydrophobicContact CD2-CD1 4.18Å; W126-L233 HydrophobicContact CH2-CB 3.95Å; W126-L233 HydrophobicContact CH2-CD1 4.29Å; W126-L233 HydrophobicContact CZ3-CB 4.36Å; W126-L233 HydrophobicContact CZ3-CD1 3.98Å; L127-L233 HydrophobicContact CD1-CD1 4.33Å; T131-L233 PolarHBondContact O-N 3.39Å; V132-L233 VanDerWaalsContact CA-O 3.27Å; V132-L233 WeakPolarHBondContact CA-O 3.45Å; V132-L233 HydrophobicContact CG1-CD2 4.09Å; V132-L233 HydrophobicContact CG2-CB 4.2Å; V132-L233 HydrophobicContact CG2-CD2 4.36Å; T133-L233 PolarHBondContact N-O 2.99Å; V222-L233 HydrophobicContact CG1-CD2 4.18Å; V222-L233 HydrophobicContact CG1-CG 4.44Å; L223-L233 WeakPolarHBondContact O-CA 3.43Å
234	F	98.9	Very high	98.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	155.6	178.9	63.2	-84.7	0	0	0	110.9	T133 R135 L138 L223 L232 L286 P287	T133-F234 HydrophobicContact CG2-CB 4.31Å; T133-F234 WeakPolarHBondContact O-CA 3.27Å; T133-F234 WeakPolarHBondContact O-CB 3.47Å; R135-F234 HydrophobicContact CB-CD2 3.86Å; R135-F234 HydrophobicContact CB-CE2 4.29Å; R135-F234 HydrophobicContact CG-CD2 4.25Å; R135-F234 HydrophobicContact CG-CE2 4.2Å; L138-F234 HydrophobicContact CD1-CB 4.23Å; L138-F234 HydrophobicContact CD1-CD1 4.06Å; L138-F234 HydrophobicContact CD1-CG 4Å; L223-F234 HydrophobicContact CB-CE1 4.34Å; L223-F234 HydrophobicContact CB-CE2 4.16Å; L223-F234 HydrophobicContact CB-CZ 3.99Å; L223-F234 HydrophobicContact CD1-CD2 4.37Å; L223-F234 HydrophobicContact CD1-CE2 3.94Å; L223-F234 PolarHBondContact N-O 3Å; L223-F234 PolarHBondContact O-N 3.24Å; L232-F234 HydrophobicContact CB-CD1 3.95Å; L232-F234 HydrophobicContact CB-CE1 4.31Å; F234-L286 HydrophobicContact CE2-CB 4.5Å; F234-L286 WeakPolarHBondContact CZ-O 3.24Å; F234-P287 HydrophobicContact CE2-CB 4.4Å
235	S	98.9	Very high	98.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	150.6	173.6	-176.7	0	0	0	0	111.3	T133 R135 S221	T133-S235 PolarHBondContact O-N 2.7Å; R135-S235 VanDerWaalsContact CB-O 3.27Å; R135-S235 WeakPolarHBondContact CB-O 3.34Å; R135-S235 PolarHBondContact N-O 3.47Å; S221-S235 CarbonylContact O-C 3.37Å; S221-S235 WeakPolarHBondContact O-CA 3.37Å; S221-S235 WeakPolarHBondContact O-CB 3.48Å; S221-S235 PolarHBondContact O-OG 3.01Å
236	G	98.4	Very high	97.8	Very high	4 Å²	4	37.8 Å²	37.8	4%	0.041	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	140.9	174.2	0	0	0	0	0	110.5	C220 S221	C220-G236 WeakPolarHBondContact CA-O 3.34Å; S221-G236 PolarHBondContact N-O 2.89Å; S221-G236 PolarHBondContact O-N 3.3Å
237	E	98.6	Very high	97.5	Very high	67 Å²	67	35.3 Å²	35.3	31%	0.313	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	139.2	166.2	-172.6	173.3	-172.9	0	0	110.5	R135 A218 F219	R135-E237 PolarHBondContact NH2-O 2.79Å; A218-E237 HydrophobicContact CB-CG 4.37Å; F219-E237 WeakPolarHBondContact O-CA 3.13Å
238	V	98.8	Very high	97.2	Very high	7 Å²	7	40.1 Å²	40.1	4%	0.042	25%	0.245	C	C	.	.			trans	-126.6	125.2	179.6	168.6	0	0	0	0	108	F219 Y254	F219-V238 HydrophobicContact CD1-CB 3.89Å; F219-V238 HydrophobicContact CD1-CG1 4.32Å; F219-V238 HydrophobicContact CE1-CB 4.11Å; F219-V238 HydrophobicContact CE1-CG1 4.36Å; F219-V238 PolarHBondContact O-N 3.47Å; V238-Y254 HydrophobicContact CG1-CD1 3.55Å; V238-Y254 HydrophobicContact CG1-CD2 3.98Å; V238-Y254 HydrophobicContact CG1-CE1 4.06Å; V238-Y254 HydrophobicContact CG1-CE2 4.45Å; V238-Y254 HydrophobicContact CG1-CG 3.51Å; V238-Y254 HydrophobicContact CG2-CD2 4.01Å; V238-Y254 HydrophobicContact CG2-CE2 4.23Å; V238-Y254 HydrophobicContact CG2-CG 4.39Å
239	D	98.8	Very high	97	Very high	12 Å²	12	45.1 Å²	45.1	6%	0.064	26%	0.262	C	S	.	.			trans	-70.8	-43.9	-171.5	-54.5	-29.9	0	0	0	112.1	E256 L257	D239-E256 WeakPolarHBondContact OD2-CA 3.3Å; D239-L257 HydrophobicContact CB-CB 4.32Å; D239-L257 HydrophobicContact CB-CD1 4.34Å; D239-L257 HydrophobicContact CB-CG 4.13Å; D239-L257 PolarHBondContact OD2-N 3.13Å
240	C	98.8	Very high	97	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	167.3	177.6	60.2	0	0	0	0	114.1	R71 C199 Y254 V255	R71-C240 CarbonylContact O-C 3.46Å; R71-C240 WeakPolarHBondContact O-CA 3.43Å; R71-C240 VanDerWaalsContact O-CB 3.3Å; R71-C240 WeakPolarHBondContact O-CB 3.36Å; C199-C240 VanDerWaalsContact SG-CB 3.58Å; C240-Y254 WeakPolarHBondContact O-CA 3.36Å; C240-V255 PolarHBondContact O-N 3.3Å
241	V	98.6	Very high	97	Very high	18 Å²	18	41.3 Å²	41.3	11%	0.109	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	139.9	166.8	62	0	0	0	0	110.2	L70 R71 Y72 Y73 P243 C253 Y254	L70-V241 HydrophobicContact CD1-CB 4.14Å; L70-V241 HydrophobicContact CD1-CG1 4.04Å; L70-V241 HydrophobicContact CD2-CB 4.33Å; L70-V241 HydrophobicContact CD2-CG1 3.84Å; L70-V241 HydrophobicContact CG-CG1 3.95Å; R71-V241 PolarHBondContact O-N 2.86Å; Y72-V241 CarbonylContact C-O 3.47Å; Y72-V241 WeakPolarHBondContact CA-O 3.3Å; Y72-V241 HydrophobicContact CD1-CG1 3.32Å; Y72-V241 HydrophobicContact CE1-CG1 3.46Å; Y72-V241 VanDerWaalsContact CE1-CG1 3.46Å; Y72-V241 HydrophobicContact CG-CG1 4.17Å; Y73-V241 PolarHBondContact N-O 3.31Å; V241-P243 WeakPolarHBondContact O-CD 3.33Å; V241-C253 HydrophobicContact CG2-CB 3.75Å; V241-Y254 HydrophobicContact CB-CD1 4.03Å; V241-Y254 HydrophobicContact CB-CE1 4.26Å; V241-Y254 HydrophobicContact CG2-CD1 4.33Å
242	N	98.3	Very high	96.9	Very high	32 Å²	32	41.6 Å²	41.6	17%	0.171	25%	0.25	C	C	.	.			trans	-95.2	109.8	172	177.3	9.9	0	0	0	110.5	Y73 Q244 A245 C253 V255	Y73-N242 HydrophobicContact CD1-CB 4.14Å; Y73-N242 HydrophobicContact CG-CB 4.46Å; N242-Q244 PolarHBondContact O-N 3.04Å; N242-Q244 VanDerWaalsContact O-N 3.14Å; N242-Q244 WeakPolarHBondContact OD1-CA 3.2Å; N242-Q244 WeakPolarHBondContact OD1-CB 3.44Å; N242-Q244 PolarHBondContact OD1-N 2.88Å; N242-A245 HydrophobicContact CB-CB 4.16Å; N242-A245 VanDerWaalsContact O-CB 3.27Å; N242-A245 WeakPolarHBondContact O-CB 3.34Å; N242-A245 PolarHBondContact O-N 3.38Å; N242-C253 PolarHBondContact N-O 3.16Å; N242-V255 HydrophobicContact CB-CG2 3.7Å
243	P	95.2	Very high	96.9	Very high	60 Å²	60	41.8 Å²	41.8	39%	0.39	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-21	176.9	-22.3	34.2	0	0	0	114	Y72 P203 V241	Y72-P243 HydrophobicContact CD1-CG 3.96Å; P203-P243 HydrophobicContact CB-CG 4.16Å; V241-P243 WeakPolarHBondContact O-CD 3.33Å
244	Q	93.9	Very high	96.9	Very high	176 Å²	176	42.1 Å²	42.1	82%	0.822	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	8.6	179.5	-56.1	-177.9	-1.7	0	0	112.6	N242	N242-Q244 PolarHBondContact O-N 3.04Å; N242-Q244 VanDerWaalsContact O-N 3.14Å; N242-Q244 WeakPolarHBondContact OD1-CA 3.2Å; N242-Q244 WeakPolarHBondContact OD1-CB 3.44Å; N242-Q244 PolarHBondContact OD1-N 2.88Å
245	A	94.2	Very high	96.9	Very high	20 Å²	20	42.3 Å²	42.3	17%	0.165	25%	0.253	C	S	.	.			trans	-61.8	144.6	176.5	0	0	0	0	0	111.2	N242 S247 C253	N242-A245 HydrophobicContact CB-CB 4.16Å; N242-A245 VanDerWaalsContact O-CB 3.27Å; N242-A245 WeakPolarHBondContact O-CB 3.34Å; N242-A245 PolarHBondContact O-N 3.38Å; A245-S247 PolarHBondContact O-N 3.37Å; A245-S247 VanDerWaalsContact O-N 3.17Å; A245-C253 HydrophobicContact CB-CB 4.27Å
246	A	91.7	Very high	96.9	Very high	120 Å²	120	42.5 Å²	42.5	99%	0.992	25%	0.254	S	S	*	.	S	Bend	trans	-59.4	-28.9	178.9	0	0	0	0	0	113.3
247	S	93.1	Very high	96.9	Very high	41 Å²	41	42.5 Å²	42.5	29%	0.287	25%	0.253	S	S	.	.			trans	-117.2	124.5	170.5	171.2	0	0	0	0	108.9	A245 Q249 C253	A245-S247 PolarHBondContact O-N 3.37Å; A245-S247 VanDerWaalsContact O-N 3.17Å; S247-Q249 VanDerWaalsContact C-N 3.29Å; S247-Q249 PolarHBondContact OG-N 2.97Å; S247-C253 WeakPolarHBondContact O-CA 3.42Å; S247-C253 VanDerWaalsContact O-CB 3.29Å; S247-C253 WeakPolarHBondContact O-CB 3.35Å
248	T	91.9	Very high	96.9	Very high	103 Å²	103	41.2 Å²	41.2	63%	0.632	25%	0.247	S	C	*	.			trans	-82.6	-7.6	174.8	54.9	0	0	0	0	113.1	P250	T248-P250 WeakPolarHBondContact O-CD 3.37Å
249	Q	95.6	Very high	96.9	Very high	127 Å²	127	42.3 Å²	42.3	59%	0.593	25%	0.253	S	S	*	.	S	Bend	trans	-81.4	125.1	-179.9	-65.1	-64.8	-48.9	0	0	111.2	S247 A252 C253	S247-Q249 VanDerWaalsContact C-N 3.29Å; S247-Q249 PolarHBondContact OG-N 2.97Å; Q249-A252 WeakPolarHBondContact O-CB 3.07Å; Q249-A252 PolarHBondContact O-N 3.33Å; Q249-C253 PolarHBondContact O-N 3.11Å
250	P	97.8	Very high	96.9	Very high	46 Å²	46	42.1 Å²	42.1	30%	0.299	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	146.6	168.5	-25.4	35.4	0	0	0	112.5	E51 T248 A252 Y254	E51-P250 HydrophobicContact CB-CB 4.11Å; E51-P250 HydrophobicContact CG-CB 4.46Å; E51-P250 WeakPolarHBondContact OE1-CB 3.21Å; E51-P250 WeakPolarHBondContact OE1-CG 3.29Å; T248-P250 WeakPolarHBondContact O-CD 3.37Å; P250-A252 VanDerWaalsContact C-N 3.34Å; P250-Y254 HydrophobicContact CB-CE2 3.88Å
251	P	97.9	Very high	96.9	Very high	8 Å²	8	48.4 Å²	48.4	5%	0.052	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	cis	-85.3	4.5	-2.9	33.8	-34.7	0	0	0	114.2	P49 L223 C253 Y254 P287	P49-P251 HydrophobicContact CB-CG 4.49Å; L223-P251 HydrophobicContact CD2-CB 4.02Å; L223-P251 HydrophobicContact CD2-CG 3.95Å; P251-C253 PolarHBondContact O-N 2.93Å; P251-Y254 VanDerWaalsContact CA-CD2 3.46Å; P251-Y254 HydrophobicContact CB-CD2 3.68Å; P251-Y254 HydrophobicContact CB-CE2 3.99Å; P251-Y254 WeakPolarHBondContact O-CB 3.28Å; P251-Y254 WeakPolarHBondContact O-CD2 3.32Å; P251-Y254 PolarHBondContact O-N 3.32Å; P251-Y254 VanDerWaalsContact O-N 3.13Å; P251-P287 VanDerWaalsContact CB-O 3.23Å; P251-P287 WeakPolarHBondContact CB-O 3.35Å; P251-P287 WeakPolarHBondContact CG-O 3.24Å
252	A	98.1	Very high	96.8	Very high	31 Å²	31	49.8 Å²	49.8	26%	0.256	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-13.1	-172.8	0	0	0	0	0	114.3	Q249 P250 P290	Q249-A252 WeakPolarHBondContact O-CB 3.07Å; Q249-A252 PolarHBondContact O-N 3.33Å; P250-A252 VanDerWaalsContact C-N 3.34Å; A252-P290 VanDerWaalsContact O-CG 3.3Å; A252-P290 WeakPolarHBondContact O-CG 3.29Å
253	C	98.3	Very high	96.8	Very high	5 Å²	5	49.5 Å²	49.5	3%	0.034	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-9.4	173.3	57.9	0	0	0	0	113.7	V241 N242 A245 S247 Q249 P251	V241-C253 HydrophobicContact CG2-CB 3.75Å; N242-C253 PolarHBondContact N-O 3.16Å; A245-C253 HydrophobicContact CB-CB 4.27Å; S247-C253 WeakPolarHBondContact O-CA 3.42Å; S247-C253 VanDerWaalsContact O-CB 3.29Å; S247-C253 WeakPolarHBondContact O-CB 3.35Å; Q249-C253 PolarHBondContact O-N 3.11Å; P251-C253 PolarHBondContact O-N 2.93Å
254	Y	98.8	Very high	96.9	Very high	7 Å²	7	53.7 Å²	53.7	3%	0.027	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	155.8	-175.8	-63	-38.7	0	0	0	113.1	E51 L70 F219 V238 C240 V241 P250 P251	E51-Y254 PolarHBondContact OE1-OH 3.16Å; E51-Y254 VanDerWaalsContact OE2-CE2 3.27Å; E51-Y254 WeakPolarHBondContact OE2-CE2 3.4Å; E51-Y254 PolarHBondContact OE2-OH 3.18Å; L70-Y254 HydrophobicContact CD1-CE1 4.42Å; F219-Y254 HydrophobicContact CE1-CE1 4.18Å; V238-Y254 HydrophobicContact CG1-CD1 3.55Å; V238-Y254 HydrophobicContact CG1-CD2 3.98Å; V238-Y254 HydrophobicContact CG1-CE1 4.06Å; V238-Y254 HydrophobicContact CG1-CE2 4.45Å; V238-Y254 HydrophobicContact CG1-CG 3.51Å; V238-Y254 HydrophobicContact CG2-CD2 4.01Å; V238-Y254 HydrophobicContact CG2-CE2 4.23Å; V238-Y254 HydrophobicContact CG2-CG 4.39Å; C240-Y254 WeakPolarHBondContact O-CA 3.36Å; V241-Y254 HydrophobicContact CB-CD1 4.03Å; V241-Y254 HydrophobicContact CB-CE1 4.26Å; V241-Y254 HydrophobicContact CG2-CD1 4.33Å; P250-Y254 HydrophobicContact CB-CE2 3.88Å; P251-Y254 VanDerWaalsContact CA-CD2 3.46Å; P251-Y254 HydrophobicContact CB-CD2 3.68Å; P251-Y254 HydrophobicContact CB-CE2 3.99Å; P251-Y254 WeakPolarHBondContact O-CB 3.28Å; P251-Y254 WeakPolarHBondContact O-CD2 3.32Å; P251-Y254 PolarHBondContact O-N 3.32Å; P251-Y254 VanDerWaalsContact O-N 3.13Å
255	V	98.9	Very high	97.1	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.024	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	134.6	176.1	177.6	0	0	0	0	108.9	Y73 C240 N242 L257 V293	Y73-V255 HydrophobicContact CD2-CG1 4.37Å; C240-V255 PolarHBondContact O-N 3.3Å; N242-V255 HydrophobicContact CB-CG2 3.7Å; V255-L257 HydrophobicContact CG1-CD2 4.07Å; V255-V293 HydrophobicContact CG1-CB 4.28Å; V255-V293 HydrophobicContact CG1-CG2 3.66Å
256	E	98.9	Very high	97.3	Very high	4 Å²	4	51.4 Å²	51.4	2%	0.019	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	138.6	169.4	-173.1	89	-168.4	0	0	109.1	R135 D239 K258 Q283 V289 H291 V292 V293	R135-E256 IonicContact NH1-OE2 2.8Å; D239-E256 WeakPolarHBondContact OD2-CA 3.3Å; E256-K258 HydrophobicContact CG-CG 4.44Å; E256-K258 VanDerWaalsContact OE1-CE 3.29Å; E256-K258 WeakPolarHBondContact OE1-CE 3.49Å; E256-K258 IonicContact OE1-NZ 2.93Å; E256-K258 PolarHBondContact OE1-NZ 3.18Å; E256-Q283 PolarHBondContact OE1-NE2 3.43Å; E256-Q283 PolarHBondContact OE1-OE1 3.14Å; E256-V289 HydrophobicContact CB-CG1 4.25Å; E256-H291 PolarHBondContact N-O 3.41Å; E256-V292 HydrophobicContact CB-CB 4.45Å; E256-V292 HydrophobicContact CB-CG1 4.32Å; E256-V292 HydrophobicContact CB-CG2 4Å; E256-V292 HydrophobicContact CG-CG1 4.36Å; E256-V292 HydrophobicContact CG-CG2 4.45Å; E256-V292 CarbonylContact O-C 3.58Å; E256-V292 VanDerWaalsContact O-CA 3.3Å; E256-V292 WeakPolarHBondContact O-CA 3.47Å; E256-V293 PolarHBondContact O-N 3.07Å
257	L	98.9	Very high	97.6	Very high	4 Å²	4	47.8 Å²	47.8	2%	0.021	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	136	179	-60.6	-178.7	0	0	0	109.7	Y73 F194 E195 M198 C199 D239 V255 V293	Y73-L257 HydrophobicContact CD2-CD2 4.19Å; Y73-L257 HydrophobicContact CE2-CD2 4.08Å; F194-L257 HydrophobicContact CD1-CB 4.25Å; F194-L257 HydrophobicContact CE1-CB 4.06Å; F194-L257 HydrophobicContact CE1-CD2 4.47Å; E195-L257 HydrophobicContact CB-CD1 4.13Å; E195-L257 HydrophobicContact CG-CB 4.18Å; E195-L257 HydrophobicContact CG-CD1 4.07Å; M198-L257 HydrophobicContact CB-CD1 3.77Å; M198-L257 HydrophobicContact CB-CD2 4.33Å; C199-L257 VanDerWaalsContact SG-CD1 3.53Å; D239-L257 HydrophobicContact CB-CB 4.32Å; D239-L257 HydrophobicContact CB-CD1 4.34Å; D239-L257 HydrophobicContact CB-CG 4.13Å; D239-L257 PolarHBondContact OD2-N 3.13Å; V255-L257 HydrophobicContact CG1-CD2 4.07Å; L257-V293 WeakPolarHBondContact CA-O 3.39Å; L257-V293 HydrophobicContact CD2-CB 3.93Å
258	K	98.9	Very high	97.9	Very high	41 Å²	41	50 Å²	50	18%	0.178	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	152	179.3	-65.2	-66.7	170.6	-135.2	0	111.5	F194 E256 W280 V292 V293 A294 G295	F194-K258 VanDerWaalsContact CE1-O 3.27Å; F194-K258 WeakPolarHBondContact CE1-O 3.18Å; E256-K258 HydrophobicContact CG-CG 4.44Å; E256-K258 VanDerWaalsContact OE1-CE 3.29Å; E256-K258 WeakPolarHBondContact OE1-CE 3.49Å; E256-K258 IonicContact OE1-NZ 2.93Å; E256-K258 PolarHBondContact OE1-NZ 3.18Å; K258-W280 HydrophobicContact CB-CD2 4.29Å; K258-W280 HydrophobicContact CB-CH2 3.71Å; K258-W280 HydrophobicContact CB-CZ2 3.37Å; K258-W280 HydrophobicContact CB-CZ3 4.28Å; K258-W280 HydrophobicContact CD-CZ2 4.47Å; K258-W280 HydrophobicContact CG-CD2 3.91Å; K258-W280 HydrophobicContact CG-CE3 4.44Å; K258-W280 HydrophobicContact CG-CG 4.25Å; K258-W280 HydrophobicContact CG-CH2 4.4Å; K258-W280 HydrophobicContact CG-CZ2 3.86Å; K258-V292 HydrophobicContact CB-CG1 4.19Å; K258-V292 HydrophobicContact CG-CG1 3.56Å; K258-V293 PolarHBondContact N-O 3.01Å; K258-A294 CarbonylContact O-C 3.53Å; K258-A294 VanDerWaalsContact O-CA 3.23Å; K258-A294 WeakPolarHBondContact O-CA 3.39Å; K258-G295 PolarHBondContact O-N 3.45Å
259	T	98.7	Very high	98.2	Very high	30 Å²	30	47.8 Å²	47.8	18%	0.184	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	148.7	164.3	63.9	0	0	0	0	111	L87 F194 G295	L87-T259 HydrophobicContact CD1-CG2 4.01Å; F194-T259 HydrophobicContact CB-CG2 3.36Å; F194-T259 HydrophobicContact CD1-CG2 3.6Å; F194-T259 HydrophobicContact CD2-CG2 4.2Å; F194-T259 HydrophobicContact CE1-CG2 4.43Å; F194-T259 HydrophobicContact CG-CG2 3.45Å; F194-T259 VanDerWaalsContact CG-CG2 3.45Å; T259-G295 VanDerWaalsContact CA-O 3.29Å; T259-G295 WeakPolarHBondContact CA-O 3.44Å
260	S	98.6	Very high	98.3	Very high	7 Å²	7	48 Å²	48	5%	0.049	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	157	170.6	-172.5	0	0	0	0	109.8	K276 G295 F296 R297	S260-K276 PolarHBondContact OG-NZ 3.34Å; S260-G295 PolarHBondContact N-O 3.39Å; S260-F296 CarbonylContact O-C 3.5Å; S260-F296 VanDerWaalsContact O-CA 3.26Å; S260-F296 WeakPolarHBondContact O-CA 3.49Å; S260-R297 WeakPolarHBondContact O-CG 3.3Å; S260-R297 PolarHBondContact O-N 3.29Å
261	K	98.2	Very high	98.3	Very high	133 Å²	133	48.8 Å²	48.8	58%	0.578	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.9	145.9	169.2	-65.2	-177.5	179.9	-175.9	0	109.6	R297	K261-R297 WeakPolarHBondContact CA-O 3.37Å
262	E	97.7	Very high	98.4	Very high	47 Å²	47	48.9 Å²	48.9	22%	0.22	26%	0.259	C	S	.	.			trans	-56.1	150.6	166	-75.5	-177.8	170.8	0	0	111.7	H264 F296 R297	E262-H264 IonicContact OE2-CE1 3.35Å; E262-H264 PolarHBondContact OE2-CE1 3.46Å; E262-H264 IonicContact OE2-NE2 3.1Å; E262-F296 HydrophobicContact CG-CB 3.67Å; E262-R297 PolarHBondContact N-O 3.04Å
263	M	98.3	Very high	98.4	Very high	25 Å²	25	49.6 Å²	49.6	12%	0.123	26%	0.255	C	S	.	.			trans	-135.6	122	-176	-65.4	173.4	-77.1	0	0	108.9	Q268 W269 F272 F296	M263-Q268 HydrophobicContact CB-CB 3.93Å; M263-Q268 HydrophobicContact CG-CB 3.95Å; M263-W269 HydrophobicContact CB-CD2 4.15Å; M263-W269 HydrophobicContact CB-CG 4.19Å; M263-W269 HydrophobicContact CB-CZ2 4.34Å; M263-W269 HydrophobicContact CE-CD2 3.88Å; M263-W269 HydrophobicContact CE-CE3 3.56Å; M263-W269 HydrophobicContact CE-CH2 3.68Å; M263-W269 HydrophobicContact CE-CZ2 3.95Å; M263-W269 HydrophobicContact CE-CZ3 3.47Å; M263-W269 VanDerWaalsContact CE-CZ3 3.47Å; M263-W269 PolarHBondContact O-NE1 3.12Å; M263-W269 VanDerWaalsContact O-NE1 3.09Å; M263-W269 HydrophobicContact SD-CD2 4.11Å; M263-W269 HydrophobicContact SD-CE3 4.14Å; M263-W269 HydrophobicContact SD-CG 4.41Å; M263-F272 HydrophobicContact CE-CB 4.06Å; M263-F272 HydrophobicContact CE-CD1 4.02Å; M263-F272 HydrophobicContact CE-CD2 3.89Å; M263-F272 HydrophobicContact CE-CE1 4.49Å; M263-F272 HydrophobicContact CE-CE2 4.36Å; M263-F272 HydrophobicContact CE-CG 3.72Å; M263-F272 HydrophobicContact SD-CB 3.31Å; M263-F272 WeakPolarHBondContact SD-CB 3.28Å; M263-F272 HydrophobicContact SD-CD1 4.33Å; M263-F272 HydrophobicContact SD-CD2 4.14Å; M263-F272 HydrophobicContact SD-CG 3.69Å; M263-F296 HydrophobicContact CE-CD1 4Å; M263-F296 HydrophobicContact CE-CE1 3.4Å; M263-F296 HydrophobicContact CE-CZ 4.09Å
264	H	96.6	Very high	98.4	Very high	148 Å²	148	51.8 Å²	51.8	69%	0.685	26%	0.263	S	S	*	.			trans	-113.1	-13.9	-173.4	-45.9	-67.3	0	0	0	112.5	E262	E262-H264 IonicContact OE2-CE1 3.35Å; E262-H264 PolarHBondContact OE2-CE1 3.46Å; E262-H264 IonicContact OE2-NE2 3.1Å
265	S	98.3	Very high	98.4	Very high	48 Å²	48	57 Å²	57	34%	0.336	29%	0.287	S	S	.	.	S	Bend	trans	-115.8	149.7	178.2	80.7	0	0	0	0	113	G267 Q268 W269	S265-G267 PolarHBondContact O-N 3.2Å; S265-G267 VanDerWaalsContact O-N 3.17Å; S265-Q268 VanDerWaalsContact N-OE1 3.08Å; S265-Q268 PolarHBondContact O-N 2.62Å; S265-Q268 VanDerWaalsContact O-N 3.11Å; S265-Q268 WeakPolarHBondContact OG-CG 3.45Å; S265-Q268 PolarHBondContact OG-N 3.17Å; S265-W269 PolarHBondContact O-N 2.93Å
266	P	98.1	Very high	98.4	Very high	101 Å²	101	60.2 Å²	60.2	66%	0.656	30%	0.301	S	S	*	.	H	α-helix	trans	-56.3	-30.6	173.4	-26.8	35.1	0	0	0	113.6	R270	P266-R270 WeakPolarHBondContact O-CB 3.44Å; P266-R270 PolarHBondContact O-N 3.13Å
267	G	98.4	Very high	98.4	Very high	44 Å²	44	60 Å²	60	45%	0.454	30%	0.3	S	S	.	.	H	α-helix	trans	-67.1	-40.9	176.7	0	0	0	0	0	112.8	S265 R270 S271	S265-G267 PolarHBondContact O-N 3.2Å; S265-G267 VanDerWaalsContact O-N 3.17Å; G267-R270 PolarHBondContact O-N 3.25Å; G267-S271 PolarHBondContact O-N 3.4Å
268	Q	98.3	Very high	98.4	Very high	86 Å²	86	60.2 Å²	60.2	40%	0.402	30%	0.301	S	S	.	.	H	α-helix	trans	-64	-46	175.4	-72.6	170.1	-33.4	0	0	111.3	M263 S265 R270 S271 F272	M263-Q268 HydrophobicContact CB-CB 3.93Å; M263-Q268 HydrophobicContact CG-CB 3.95Å; S265-Q268 VanDerWaalsContact N-OE1 3.08Å; S265-Q268 PolarHBondContact O-N 2.62Å; S265-Q268 VanDerWaalsContact O-N 3.11Å; S265-Q268 WeakPolarHBondContact OG-CG 3.45Å; S265-Q268 PolarHBondContact OG-N 3.17Å; Q268-R270 VanDerWaalsContact C-N 3.34Å; Q268-R270 PolarHBondContact O-N 3.43Å; Q268-S271 PolarHBondContact O-N 3.45Å; Q268-F272 PolarHBondContact O-N 3.4Å
269	W	98.6	Very high	98.4	Very high	58 Å²	58	62.4 Å²	62.4	22%	0.22	31%	0.311	C	S	.	.	H	α-helix	trans	-58.5	-44	174.9	-80.4	102.5	0	0	0	112.3	M263 S265 S271 F272 Y273 F296 K307 F309	M263-W269 HydrophobicContact CB-CD2 4.15Å; M263-W269 HydrophobicContact CB-CG 4.19Å; M263-W269 HydrophobicContact CB-CZ2 4.34Å; M263-W269 HydrophobicContact CE-CD2 3.88Å; M263-W269 HydrophobicContact CE-CE3 3.56Å; M263-W269 HydrophobicContact CE-CH2 3.68Å; M263-W269 HydrophobicContact CE-CZ2 3.95Å; M263-W269 HydrophobicContact CE-CZ3 3.47Å; M263-W269 VanDerWaalsContact CE-CZ3 3.47Å; M263-W269 PolarHBondContact O-NE1 3.12Å; M263-W269 VanDerWaalsContact O-NE1 3.09Å; M263-W269 HydrophobicContact SD-CD2 4.11Å; M263-W269 HydrophobicContact SD-CE3 4.14Å; M263-W269 HydrophobicContact SD-CG 4.41Å; S265-W269 PolarHBondContact O-N 2.93Å; W269-S271 PolarHBondContact O-N 3.24Å; W269-F272 HydrophobicContact CE3-CD1 4.08Å; W269-F272 HydrophobicContact CE3-CE1 4.49Å; W269-F272 HydrophobicContact CZ3-CD1 4.26Å; W269-F272 HydrophobicContact CZ3-CE1 4.24Å; W269-F272 WeakPolarHBondContact O-CB 3.32Å; W269-F272 PolarHBondContact O-N 3.05Å; W269-Y273 HydrophobicContact CB-CE2 4.05Å; W269-Y273 AromaticContact CE3-CE1 3.73Å; W269-Y273 HydrophobicContact CE3-CE1 3.73Å; W269-Y273 HydrophobicContact CE3-CE2 4.35Å; W269-Y273 AromaticContact CE3-CZ 3.54Å; W269-Y273 VanDerWaalsContact CE3-OH 3.27Å; W269-Y273 HydrophobicContact CZ3-CE1 4.14Å; W269-Y273 WeakPolarHBondContact O-CD2 3.4Å; W269-Y273 PolarHBondContact O-N 3.17Å; W269-F296 HydrophobicContact CH2-CE1 4.17Å; W269-F296 AromaticContact CH2-CE2 3.92Å; W269-F296 HydrophobicContact CH2-CE2 3.92Å; W269-F296 AromaticContact CH2-CZ 3.53Å; W269-F296 HydrophobicContact CH2-CZ 3.53Å; W269-F296 HydrophobicContact CZ2-CZ 4.49Å; W269-F296 HydrophobicContact CZ3-CZ 4.04Å; W269-K307 HydrophobicContact CH2-CD 4.12Å; W269-F309 HydrophobicContact CZ3-CZ 4.1Å
270	R	98.4	Very high	98.4	Very high	131 Å²	131	61.6 Å²	61.6	49%	0.494	30%	0.304	S	S	.	.	H	α-helix	trans	-60.8	-43.8	176.6	-166.5	178.1	-51.4	174.1	4.9	112.5	P266 G267 Q268 Y273 R274	P266-R270 WeakPolarHBondContact O-CB 3.44Å; P266-R270 PolarHBondContact O-N 3.13Å; G267-R270 PolarHBondContact O-N 3.25Å; Q268-R270 VanDerWaalsContact C-N 3.34Å; Q268-R270 PolarHBondContact O-N 3.43Å; R270-Y273 PolarHBondContact O-N 2.77Å; R270-R274 WeakPolarHBondContact O-CB 3.26Å; R270-R274 VanDerWaalsContact O-CG 3.29Å; R270-R274 WeakPolarHBondContact O-CG 3.43Å; R270-R274 PolarHBondContact O-N 2.69Å
271	S	98.4	Very high	98.4	Very high	62 Å²	62	61.6 Å²	61.6	43%	0.434	30%	0.303	S	S	.	.	H	α-helix	trans	-62	-43.2	175.1	-177	0	0	0	0	111.7	G267 Q268 W269 R274 H275	G267-S271 PolarHBondContact O-N 3.4Å; Q268-S271 PolarHBondContact O-N 3.45Å; W269-S271 PolarHBondContact O-N 3.24Å; S271-R274 PolarHBondContact O-N 2.91Å; S271-H275 PolarHBondContact O-CD2 3.11Å; S271-H275 PolarHBondContact O-N 3.19Å
272	F	98.8	Very high	98.4	Very high	10 Å²	10	55.3 Å²	55.3	4%	0.044	28%	0.276	C	S	.	.	I	π-helix	trans	-59.7	-46.8	174.8	164.9	-91.8	0	0	0	112.2	M263 Q268 W269 R274 H275 K276 L277 W280 F309	M263-F272 HydrophobicContact CE-CB 4.06Å; M263-F272 HydrophobicContact CE-CD1 4.02Å; M263-F272 HydrophobicContact CE-CD2 3.89Å; M263-F272 HydrophobicContact CE-CE1 4.49Å; M263-F272 HydrophobicContact CE-CE2 4.36Å; M263-F272 HydrophobicContact CE-CG 3.72Å; M263-F272 HydrophobicContact SD-CB 3.31Å; M263-F272 WeakPolarHBondContact SD-CB 3.28Å; M263-F272 HydrophobicContact SD-CD1 4.33Å; M263-F272 HydrophobicContact SD-CD2 4.14Å; M263-F272 HydrophobicContact SD-CG 3.69Å; Q268-F272 PolarHBondContact O-N 3.4Å; W269-F272 HydrophobicContact CE3-CD1 4.08Å; W269-F272 HydrophobicContact CE3-CE1 4.49Å; W269-F272 HydrophobicContact CZ3-CD1 4.26Å; W269-F272 HydrophobicContact CZ3-CE1 4.24Å; W269-F272 WeakPolarHBondContact O-CB 3.32Å; W269-F272 PolarHBondContact O-N 3.05Å; F272-R274 PolarHBondContact O-N 3.2Å; F272-H275 PolarHBondContact O-N 3.43Å; F272-K276 HydrophobicContact CD2-CB 3.78Å; F272-K276 HydrophobicContact CD2-CD 3.84Å; F272-K276 HydrophobicContact CD2-CG 4.18Å; F272-K276 HydrophobicContact CE2-CB 4.09Å; F272-K276 HydrophobicContact CE2-CD 3.74Å; F272-K276 HydrophobicContact CE2-CG 4.06Å; F272-K276 PolarHBondContact O-N 3.22Å; F272-L277 HydrophobicContact CE1-CB 4.42Å; F272-L277 HydrophobicContact CE1-CD1 3.86Å; F272-L277 HydrophobicContact CZ-CD1 3.89Å; F272-L277 PolarHBondContact O-N 3.43Å; F272-W280 HydrophobicContact CE2-CE3 4.39Å; F272-W280 AromaticContact CE2-CH2 3.55Å; F272-W280 HydrophobicContact CE2-CH2 3.55Å; F272-W280 HydrophobicContact CE2-CZ2 4.02Å; F272-W280 AromaticContact CE2-CZ3 3.76Å; F272-W280 HydrophobicContact CE2-CZ3 3.76Å; F272-W280 HydrophobicContact CZ-CE3 4.01Å; F272-W280 AromaticContact CZ-CH2 3.73Å; F272-W280 HydrophobicContact CZ-CH2 3.73Å; F272-W280 AromaticContact CZ-CZ3 3.43Å; F272-W280 HydrophobicContact CZ-CZ3 3.43Å; F272-W280 VanDerWaalsContact CZ-CZ3 3.43Å; F272-F309 AromaticContact CE1-CE1 3.94Å; F272-F309 HydrophobicContact CE1-CE1 3.94Å; F272-F309 AromaticContact CE1-CZ 3.77Å; F272-F309 HydrophobicContact CE1-CZ 3.77Å; F272-F309 HydrophobicContact CZ-CE1 4.36Å; F272-F309 HydrophobicContact CZ-CE2 4.28Å; F272-F309 AromaticContact CZ-CZ 3.9Å; F272-F309 HydrophobicContact CZ-CZ 3.9Å
273	Y	98.8	Very high	98.5	Very high	46 Å²	46	55 Å²	55	18%	0.18	28%	0.275	C	S	.	.	I	π-helix	trans	-61.9	-40.6	177.6	-61.7	-35	0	0	0	112.6	W269 R270 L277 F309 N317 W325	W269-Y273 HydrophobicContact CB-CE2 4.05Å; W269-Y273 AromaticContact CE3-CE1 3.73Å; W269-Y273 HydrophobicContact CE3-CE1 3.73Å; W269-Y273 HydrophobicContact CE3-CE2 4.35Å; W269-Y273 AromaticContact CE3-CZ 3.54Å; W269-Y273 VanDerWaalsContact CE3-OH 3.27Å; W269-Y273 HydrophobicContact CZ3-CE1 4.14Å; W269-Y273 WeakPolarHBondContact O-CD2 3.4Å; W269-Y273 PolarHBondContact O-N 3.17Å; R270-Y273 PolarHBondContact O-N 2.77Å; Y273-L277 HydrophobicContact CD1-CD2 3.88Å; Y273-F309 HydrophobicContact CE1-CE1 4.25Å; Y273-N317 HydrophobicContact CD1-CB 3.85Å; Y273-N317 HydrophobicContact CD2-CB 3.86Å; Y273-N317 HydrophobicContact CE1-CB 4.25Å; Y273-N317 HydrophobicContact CE2-CB 4.26Å; Y273-N317 HydrophobicContact CG-CB 3.65Å; Y273-W325 PolarHBondContact O-NE1 3.16Å
274	R	98.6	Very high	98.5	Very high	51 Å²	51	53.9 Å²	53.9	19%	0.192	27%	0.269	C	S	.	.	I	π-helix	trans	-70.7	-34.8	-179.8	-72.4	172.4	-179.5	-163.9	-9.8	113.8	R270 S271 F272 V318 D321 D323 W325	R270-R274 WeakPolarHBondContact O-CB 3.26Å; R270-R274 VanDerWaalsContact O-CG 3.29Å; R270-R274 WeakPolarHBondContact O-CG 3.43Å; R270-R274 PolarHBondContact O-N 2.69Å; S271-R274 PolarHBondContact O-N 2.91Å; F272-R274 PolarHBondContact O-N 3.2Å; R274-V318 HydrophobicContact CG-CG1 4.45Å; R274-D321 IonicContact CZ-OD1 2.84Å; R274-D321 IonicContact CZ-OD2 3.42Å; R274-D321 VanDerWaalsContact CZ-OD2 3.3Å; R274-D321 IonicContact NE-OD1 2.88Å; R274-D321 PolarHBondContact NE-OD1 2.85Å; R274-D321 IonicContact NE-OD2 2.79Å; R274-D321 PolarHBondContact NE-OD2 2.85Å; R274-D321 VanDerWaalsContact NH2-CG 3.28Å; R274-D321 IonicContact NH2-OD1 2.67Å; R274-D321 PolarHBondContact NH2-OD1 3.24Å; R274-D321 IonicContact NH2-OD2 3.49Å; R274-D321 PolarHBondContact NH2-OD2 3.47Å; R274-D321 VanDerWaalsContact NH2-OD2 3.08Å; R274-D323 VanDerWaalsContact CZ-CB 3.48Å; R274-D323 IonicContact CZ-OD2 3.75Å; R274-D323 IonicContact NH1-OD2 3.57Å; R274-D323 PolarHBondContact NH1-OD2 2.79Å; R274-D323 IonicContact NH2-OD2 2.81Å; R274-D323 PolarHBondContact NH2-OD2 3.42Å; R274-W325 VanDerWaalsContact O-CD1 3.26Å
275	H	98.3	Very high	98.6	Very high	116 Å²	116	48 Å²	48	54%	0.537	24%	0.241	S	C	.	.	I	π-helix	trans	-115.6	-51.1	-168.2	-55.2	-54.6	0	0	0	113.6	S271 F272	S271-H275 PolarHBondContact O-CD2 3.11Å; S271-H275 PolarHBondContact O-N 3.19Å; F272-H275 PolarHBondContact O-N 3.43Å
276	K	98.6	Very high	98.7	Very high	73 Å²	73	45.9 Å²	45.9	32%	0.317	23%	0.226	S	C	.	.	I	π-helix	trans	-80.2	-42.5	-175	-169.8	172.5	-65	-175	0	111.4	S260 F272 L278 K279 W280	S260-K276 PolarHBondContact OG-NZ 3.34Å; F272-K276 HydrophobicContact CD2-CB 3.78Å; F272-K276 HydrophobicContact CD2-CD 3.84Å; F272-K276 HydrophobicContact CD2-CG 4.18Å; F272-K276 HydrophobicContact CE2-CB 4.09Å; F272-K276 HydrophobicContact CE2-CD 3.74Å; F272-K276 HydrophobicContact CE2-CG 4.06Å; F272-K276 PolarHBondContact O-N 3.22Å; K276-L278 VanDerWaalsContact C-N 3.26Å; K276-L278 PolarHBondContact O-N 2.81Å; K276-K279 PolarHBondContact O-N 3.04Å; K276-W280 HydrophobicContact CD-CH2 4.34Å; K276-W280 HydrophobicContact CD-CZ2 3.5Å; K276-W280 VanDerWaalsContact CD-CZ2 3.5Å; K276-W280 HydrophobicContact CG-CD2 4.36Å; K276-W280 HydrophobicContact CG-CZ2 3.92Å; K276-W280 PolarHBondContact O-N 2.68Å; K276-W280 VanDerWaalsContact O-N 3.13Å
277	L	98.8	Very high	98.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-66.5	-28.3	-177.8	-155.6	72.5	0	0	0	112.5	F272 Y273 W280 W281 F309 M314 N317	F272-L277 HydrophobicContact CE1-CB 4.42Å; F272-L277 HydrophobicContact CE1-CD1 3.86Å; F272-L277 HydrophobicContact CZ-CD1 3.89Å; F272-L277 PolarHBondContact O-N 3.43Å; Y273-L277 HydrophobicContact CD1-CD2 3.88Å; L277-W280 HydrophobicContact CD1-CE3 3.82Å; L277-W280 HydrophobicContact CD1-CZ3 4.44Å; L277-W280 PolarHBondContact O-N 3.11Å; L277-W281 VanDerWaalsContact O-CB 3.29Å; L277-W281 WeakPolarHBondContact O-CB 3.32Å; L277-W281 PolarHBondContact O-N 3.3Å; L277-F309 HydrophobicContact CD1-CD1 3.85Å; L277-F309 HydrophobicContact CD1-CE1 4.2Å; L277-F309 HydrophobicContact CD1-CG 4.19Å; L277-M314 HydrophobicContact CD1-CE 4.2Å; L277-M314 HydrophobicContact CD1-CG 4.08Å; L277-M314 HydrophobicContact CD1-SD 3.98Å; L277-M314 HydrophobicContact CD2-CB 3.81Å; L277-M314 HydrophobicContact CD2-CG 4.09Å; L277-M314 WeakPolarHBondContact CD2-O 3.37Å; L277-M314 HydrophobicContact CG-CB 3.96Å; L277-M314 HydrophobicContact CG-CG 3.97Å; L277-M314 HydrophobicContact CG-SD 4.01Å; L277-N317 HydrophobicContact CD2-CB 4.33Å
278	L	98.9	Very high	98.7	Very high	8 Å²	8	40.3 Å²	40.3	4%	0.042	19%	0.187	C	C	.	.	H	α-helix	trans	-56.3	-49.8	168.5	169.8	58.9	0	0	0	111.7	T143 Y146 K276 W280 W281 A282 W325	T143-L278 HydrophobicContact CG2-CD1 4.29Å; T143-L278 HydrophobicContact CG2-CD2 4.35Å; T143-L278 HydrophobicContact CG2-CG 3.98Å; Y146-L278 HydrophobicContact CD2-CD2 4.07Å; Y146-L278 HydrophobicContact CG-CD2 4.11Å; K276-L278 VanDerWaalsContact C-N 3.26Å; K276-L278 PolarHBondContact O-N 2.81Å; L278-W280 VanDerWaalsContact C-N 3.35Å; L278-W281 HydrophobicContact CD1-CE3 4.22Å; L278-W281 PolarHBondContact O-N 2.76Å; L278-A282 WeakPolarHBondContact O-CB 3.48Å; L278-A282 PolarHBondContact O-N 2.97Å; L278-W325 HydrophobicContact CB-CD2 3.87Å; L278-W325 HydrophobicContact CB-CG 3.78Å; L278-W325 HydrophobicContact CD1-CB 4.02Å; L278-W325 HydrophobicContact CD1-CD2 3.63Å; L278-W325 HydrophobicContact CD1-CE3 3.59Å; L278-W325 HydrophobicContact CD1-CG 3.82Å; L278-W325 HydrophobicContact CD1-CZ3 4.27Å; L278-W325 HydrophobicContact CD2-CB 4.1Å; L278-W325 HydrophobicContact CD2-CG 4.26Å; L278-W325 HydrophobicContact CG-CB 4.42Å; L278-W325 HydrophobicContact CG-CD2 4.27Å; L278-W325 HydrophobicContact CG-CG 4.14Å
279	K	98.8	Very high	98.7	Very high	86 Å²	86	36.3 Å²	36.3	37%	0.374	17%	0.168	S	C	.	.	H	α-helix	trans	-65.4	-40.7	-178	-63.6	-170.2	176.4	-165.1	0	110.8	T143 E147 K276 Q283	T143-K279 HydrophobicContact CG2-CG 4.43Å; E147-K279 WeakPolarHBondContact OE2-CE 3.35Å; E147-K279 IonicContact OE2-NZ 3.1Å; E147-K279 PolarHBondContact OE2-NZ 2.87Å; K276-K279 PolarHBondContact O-N 3.04Å; K279-Q283 VanDerWaalsContact O-CB 3.28Å; K279-Q283 WeakPolarHBondContact O-CB 3.45Å; K279-Q283 PolarHBondContact O-N 3.16Å
280	W	98.9	Very high	98.7	Very high	14 Å²	14	35.3 Å²	35.3	5%	0.053	17%	0.169	C	C	.	.	H	α-helix	trans	-65.3	-46.1	176	-64	-0.9	0	0	0	112	K258 F272 K276 L277 L278 A282 Q283 S284 V292 A294 F309 M314	K258-W280 HydrophobicContact CB-CD2 4.29Å; K258-W280 HydrophobicContact CB-CH2 3.71Å; K258-W280 HydrophobicContact CB-CZ2 3.37Å; K258-W280 HydrophobicContact CB-CZ3 4.28Å; K258-W280 HydrophobicContact CD-CZ2 4.47Å; K258-W280 HydrophobicContact CG-CD2 3.91Å; K258-W280 HydrophobicContact CG-CE3 4.44Å; K258-W280 HydrophobicContact CG-CG 4.25Å; K258-W280 HydrophobicContact CG-CH2 4.4Å; K258-W280 HydrophobicContact CG-CZ2 3.86Å; F272-W280 HydrophobicContact CE2-CE3 4.39Å; F272-W280 AromaticContact CE2-CH2 3.55Å; F272-W280 HydrophobicContact CE2-CH2 3.55Å; F272-W280 HydrophobicContact CE2-CZ2 4.02Å; F272-W280 AromaticContact CE2-CZ3 3.76Å; F272-W280 HydrophobicContact CE2-CZ3 3.76Å; F272-W280 HydrophobicContact CZ-CE3 4.01Å; F272-W280 AromaticContact CZ-CH2 3.73Å; F272-W280 HydrophobicContact CZ-CH2 3.73Å; F272-W280 AromaticContact CZ-CZ3 3.43Å; F272-W280 HydrophobicContact CZ-CZ3 3.43Å; F272-W280 VanDerWaalsContact CZ-CZ3 3.43Å; K276-W280 HydrophobicContact CD-CH2 4.34Å; K276-W280 HydrophobicContact CD-CZ2 3.5Å; K276-W280 VanDerWaalsContact CD-CZ2 3.5Å; K276-W280 HydrophobicContact CG-CD2 4.36Å; K276-W280 HydrophobicContact CG-CZ2 3.92Å; K276-W280 PolarHBondContact O-N 2.68Å; K276-W280 VanDerWaalsContact O-N 3.13Å; L277-W280 HydrophobicContact CD1-CE3 3.82Å; L277-W280 HydrophobicContact CD1-CZ3 4.44Å; L277-W280 PolarHBondContact O-N 3.11Å; L278-W280 VanDerWaalsContact C-N 3.35Å; W280-A282 PolarHBondContact O-N 3.04Å; W280-Q283 PolarHBondContact O-N 2.56Å; W280-S284 PolarHBondContact O-N 3.11Å; W280-S284 PolarHBondContact O-OG 3.12Å; W280-V292 HydrophobicContact CD2-CG1 4.29Å; W280-V292 HydrophobicContact CE3-CG1 3.93Å; W280-V292 HydrophobicContact CZ3-CG1 4.4Å; W280-A294 HydrophobicContact CH2-CB 3.64Å; W280-A294 HydrophobicContact CZ3-CB 3.72Å; W280-F309 HydrophobicContact CZ3-CD2 4.06Å; W280-F309 HydrophobicContact CZ3-CE2 4.08Å; W280-M314 HydrophobicContact CB-CE 4.12Å; W280-M314 HydrophobicContact CB-SD 4.25Å
281	W	98.9	Very high	98.7	Very high	7 Å²	7	32.7 Å²	32.7	3%	0.027	16%	0.162	C	C	.	.	H	α-helix	trans	-57.2	-52.9	175.9	169.3	80.3	0	0	0	110.9	L142 L277 L278 Q283 S284 F285 M314 W325 P327 C330 M331	L142-W281 HydrophobicContact CD2-CH2 4.17Å; L142-W281 HydrophobicContact CD2-CZ3 4.03Å; L277-W281 VanDerWaalsContact O-CB 3.29Å; L277-W281 WeakPolarHBondContact O-CB 3.32Å; L277-W281 PolarHBondContact O-N 3.3Å; L278-W281 HydrophobicContact CD1-CE3 4.22Å; L278-W281 PolarHBondContact O-N 2.76Å; W281-Q283 VanDerWaalsContact C-N 3.27Å; W281-Q283 PolarHBondContact O-N 2.98Å; W281-S284 PolarHBondContact O-N 3.1Å; W281-F285 HydrophobicContact CD2-CB 4.4Å; W281-F285 AromaticContact CE2-CG 3.91Å; W281-F285 HydrophobicContact CH2-CD1 4.43Å; W281-F285 HydrophobicContact CZ2-CB 4.23Å; W281-F285 AromaticContact CZ2-CD1 3.89Å; W281-F285 HydrophobicContact CZ2-CD1 3.89Å; W281-F285 HydrophobicContact CZ2-CD2 4.2Å; W281-F285 HydrophobicContact CZ2-CE1 4.36Å; W281-F285 AromaticContact CZ2-CG 3.82Å; W281-F285 HydrophobicContact CZ2-CG 3.82Å; W281-F285 AromaticContact NE1-CD2 3.8Å; W281-F285 AromaticContact NE1-CG 3.91Å; W281-F285 WeakPolarHBondContact O-CA 3.21Å; W281-F285 WeakPolarHBondContact O-CB 3.43Å; W281-F285 PolarHBondContact O-N 3.42Å; W281-M314 WeakPolarHBondContact CA-SD 3.29Å; W281-M314 HydrophobicContact CB-CB 4.19Å; W281-M314 HydrophobicContact CB-SD 3.63Å; W281-M314 PolarHBondContact N-SD 3.41Å; W281-M314 VanDerWaalsContact N-SD 3.45Å; W281-W325 HydrophobicContact CB-CH2 3.51Å; W281-W325 HydrophobicContact CB-CZ2 4.2Å; W281-W325 HydrophobicContact CB-CZ3 4.11Å; W281-W325 AromaticContact CD2-CH2 3.82Å; W281-W325 HydrophobicContact CD2-CH2 3.82Å; W281-W325 AromaticContact CD2-CZ3 3.5Å; W281-W325 HydrophobicContact CD2-CZ3 3.5Å; W281-W325 HydrophobicContact CE3-CE3 4.25Å; W281-W325 HydrophobicContact CE3-CH2 4.21Å; W281-W325 AromaticContact CE3-CZ3 3.58Å; W281-W325 HydrophobicContact CE3-CZ3 3.58Å; W281-W325 AromaticContact CG-CH2 3.46Å; W281-W325 HydrophobicContact CG-CH2 3.46Å; W281-W325 VanDerWaalsContact CG-CH2 3.46Å; W281-W325 AromaticContact CG-CZ3 3.71Å; W281-W325 HydrophobicContact CG-CZ3 3.71Å; W281-W325 HydrophobicContact CZ3-CZ3 4.31Å; W281-P327 HydrophobicContact CH2-CB 3.87Å; W281-P327 HydrophobicContact CZ2-CB 3.56Å; W281-P327 HydrophobicContact CZ2-CG 4.16Å; W281-C330 HydrophobicContact CH2-CB 3.95Å; W281-C330 HydrophobicContact CZ3-CB 3.67Å; W281-M331 HydrophobicContact CH2-CG 4.14Å; W281-M331 HydrophobicContact CH2-SD 4.18Å
282	A	98.9	Very high	98.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.1	-36.2	-177.7	0	0	0	0	0	112	T139 L142 T143 L278 W280 L286	T139-A282 HydrophobicContact CG2-CB 3.94Å; L142-A282 HydrophobicContact CB-CB 3.94Å; L142-A282 HydrophobicContact CD2-CB 3.84Å; T143-A282 HydrophobicContact CG2-CB 3.93Å; L278-A282 WeakPolarHBondContact O-CB 3.48Å; L278-A282 PolarHBondContact O-N 2.97Å; W280-A282 PolarHBondContact O-N 3.04Å; A282-L286 VanDerWaalsContact O-CD1 3.3Å; A282-L286 WeakPolarHBondContact O-CD1 3.28Å; A282-L286 WeakPolarHBondContact O-CG 3.41Å
283	Q	98.8	Very high	98.8	Very high	42 Å²	42	29.4 Å²	29.4	20%	0.196	14%	0.141	C	C	.	.	H	α-helix	trans	-68.3	-43.5	178.4	-174.5	-179.3	18.6	0	0	112.7	R135 T139 E256 K279 W280 W281 P287	R135-Q283 WeakPolarHBondContact CD-O 3.17Å; R135-Q283 VanDerWaalsContact CZ-CG 3.42Å; R135-Q283 PolarHBondContact NH1-O 3Å; T139-Q283 HydrophobicContact CG2-CB 4.34Å; E256-Q283 PolarHBondContact OE1-NE2 3.43Å; E256-Q283 PolarHBondContact OE1-OE1 3.14Å; K279-Q283 VanDerWaalsContact O-CB 3.28Å; K279-Q283 WeakPolarHBondContact O-CB 3.45Å; K279-Q283 PolarHBondContact O-N 3.16Å; W280-Q283 PolarHBondContact O-N 2.56Å; W281-Q283 VanDerWaalsContact C-N 3.27Å; W281-Q283 PolarHBondContact O-N 2.98Å; Q283-P287 WeakPolarHBondContact O-CD 3.34Å; Q283-P287 WeakPolarHBondContact O-CG 3.44Å
284	S	98.8	Very high	98.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-91.2	-26.6	-174.9	-59.5	0	0	0	0	113.4	W280 W281 P287 G288 V289 V292	W280-S284 PolarHBondContact O-N 3.11Å; W280-S284 PolarHBondContact O-OG 3.12Å; W281-S284 PolarHBondContact O-N 3.1Å; S284-P287 WeakPolarHBondContact O-CD 3.45Å; S284-G288 PolarHBondContact O-N 2.94Å; S284-V289 PolarHBondContact O-N 3.47Å; S284-V292 VanDerWaalsContact OG-CG2 3.3Å; S284-V292 WeakPolarHBondContact OG-CG2 3.28Å
285	F	98.9	Very high	98.8	Very high	26 Å²	26	24.8 Å²	24.8	11%	0.114	12%	0.123	C	C	.	.	H	α-helix	trans	-64.5	-45.6	177.6	178.4	-96.4	0	0	0	112.1	F43 Y46 W281 G288 T311 M312 M331	F43-F285 HydrophobicContact CE1-CZ 4.23Å; F43-F285 AromaticContact CZ-CE1 3.97Å; F43-F285 HydrophobicContact CZ-CE1 3.97Å; F43-F285 HydrophobicContact CZ-CE2 4.42Å; F43-F285 AromaticContact CZ-CZ 3.56Å; F43-F285 HydrophobicContact CZ-CZ 3.56Å; Y46-F285 HydrophobicContact CD1-CD1 4.41Å; Y46-F285 AromaticContact CD1-CE1 3.49Å; Y46-F285 HydrophobicContact CD1-CE1 3.49Å; Y46-F285 VanDerWaalsContact CD1-CE1 3.49Å; Y46-F285 AromaticContact CD1-CZ 3.77Å; Y46-F285 HydrophobicContact CD1-CZ 3.77Å; Y46-F285 HydrophobicContact CE1-CD1 4.33Å; Y46-F285 AromaticContact CE1-CE1 3.84Å; Y46-F285 HydrophobicContact CE1-CE1 3.84Å; Y46-F285 HydrophobicContact CE1-CZ 4.41Å; Y46-F285 HydrophobicContact CG-CE1 4.13Å; Y46-F285 HydrophobicContact CG-CZ 4.47Å; W281-F285 HydrophobicContact CD2-CB 4.4Å; W281-F285 AromaticContact CE2-CG 3.91Å; W281-F285 HydrophobicContact CH2-CD1 4.43Å; W281-F285 HydrophobicContact CZ2-CB 4.23Å; W281-F285 AromaticContact CZ2-CD1 3.89Å; W281-F285 HydrophobicContact CZ2-CD1 3.89Å; W281-F285 HydrophobicContact CZ2-CD2 4.2Å; W281-F285 HydrophobicContact CZ2-CE1 4.36Å; W281-F285 AromaticContact CZ2-CG 3.82Å; W281-F285 HydrophobicContact CZ2-CG 3.82Å; W281-F285 AromaticContact NE1-CD2 3.8Å; W281-F285 AromaticContact NE1-CG 3.91Å; W281-F285 WeakPolarHBondContact O-CA 3.21Å; W281-F285 WeakPolarHBondContact O-CB 3.43Å; W281-F285 PolarHBondContact O-N 3.42Å; F285-G288 PolarHBondContact O-N 3.3Å; F285-G288 VanDerWaalsContact O-N 3.08Å; F285-T311 HydrophobicContact CB-CG2 3.99Å; F285-M312 HydrophobicContact CD2-SD 4.04Å; F285-M312 HydrophobicContact CE2-CE 4.31Å; F285-M312 HydrophobicContact CE2-SD 4.05Å; F285-M331 HydrophobicContact CD1-SD 4.14Å; F285-M331 HydrophobicContact CE1-CE 3.89Å; F285-M331 HydrophobicContact CE1-CG 4.49Å; F285-M331 HydrophobicContact CE1-SD 3.88Å
286	L	98.9	Very high	98.8	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.01	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-55.4	-179.7	-74	168.4	0	0	0	113.1	Y46 P49 R135 L138 L142 F234 A282 G288	Y46-L286 HydrophobicContact CE2-CD2 4.43Å; Y46-L286 WeakPolarHBondContact OH-CA 3.21Å; Y46-L286 PolarHBondContact OH-O 3.44Å; P49-L286 WeakPolarHBondContact CG-O 3.36Å; R135-L286 HydrophobicContact CG-CB 4.22Å; R135-L286 HydrophobicContact CG-CD1 4.38Å; L138-L286 HydrophobicContact CB-CD1 3.59Å; L138-L286 HydrophobicContact CB-CD2 4.32Å; L138-L286 HydrophobicContact CD1-CD2 4.49Å; L142-L286 HydrophobicContact CD1-CD1 4.39Å; L142-L286 HydrophobicContact CD1-CD2 4.06Å; L142-L286 HydrophobicContact CD2-CD1 4.06Å; L142-L286 HydrophobicContact CD2-CD2 3.99Å; L142-L286 HydrophobicContact CD2-CG 3.86Å; F234-L286 HydrophobicContact CE2-CB 4.5Å; F234-L286 WeakPolarHBondContact CZ-O 3.24Å; A282-L286 VanDerWaalsContact O-CD1 3.3Å; A282-L286 WeakPolarHBondContact O-CD1 3.28Å; A282-L286 WeakPolarHBondContact O-CG 3.41Å; L286-G288 PolarHBondContact O-N 2.88Å
287	P	98.6	Very high	98.8	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.013	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-4.6	177.2	33.4	-38.8	0	0	0	113.4	L223 F234 P251 Q283 S284 V289	L223-P287 HydrophobicContact CD1-CB 3.96Å; L223-P287 HydrophobicContact CD2-CB 4.08Å; L223-P287 VanDerWaalsContact CD2-O 3.25Å; L223-P287 WeakPolarHBondContact CD2-O 3.38Å; F234-P287 HydrophobicContact CE2-CB 4.4Å; P251-P287 VanDerWaalsContact CB-O 3.23Å; P251-P287 WeakPolarHBondContact CB-O 3.35Å; P251-P287 WeakPolarHBondContact CG-O 3.24Å; Q283-P287 WeakPolarHBondContact O-CD 3.34Å; Q283-P287 WeakPolarHBondContact O-CG 3.44Å; S284-P287 WeakPolarHBondContact O-CD 3.45Å; P287-V289 HydrophobicContact CB-CG2 4.18Å; P287-V289 HydrophobicContact CG-CB 4.38Å; P287-V289 HydrophobicContact CG-CG2 3.73Å
288	G	98.6	Very high	98.8	Very high	27 Å²	27	19 Å²	19	28%	0.278	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	28.6	-176.8	0	0	0	0	0	113.8	S284 F285 L286 P290	S284-G288 PolarHBondContact O-N 2.94Å; F285-G288 PolarHBondContact O-N 3.3Å; F285-G288 VanDerWaalsContact O-N 3.08Å; L286-G288 PolarHBondContact O-N 2.88Å; G288-P290 WeakPolarHBondContact O-CD 3.44Å
289	V	98.8	Very high	98.7	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.012	13%	0.126	C	C	.	.			trans	-75.5	117	173.9	174.3	0	0	0	0	107.9	E256 S284 P287 T311	E256-V289 HydrophobicContact CB-CG1 4.25Å; S284-V289 PolarHBondContact O-N 3.47Å; P287-V289 HydrophobicContact CB-CG2 4.18Å; P287-V289 HydrophobicContact CG-CB 4.38Å; P287-V289 HydrophobicContact CG-CG2 3.73Å; V289-T311 WeakPolarHBondContact O-CB 3.34Å; V289-T311 PolarHBondContact O-OG1 2.93Å
290	P	98.6	Very high	98.7	Very high	36 Å²	36	24.3 Å²	24.3	23%	0.234	13%	0.131	C	C	.	.			trans	-79.8	-22.3	-167	27.7	-33.9	0	0	0	114.5	A252 G288 P310 T311	A252-P290 VanDerWaalsContact O-CG 3.3Å; A252-P290 WeakPolarHBondContact O-CG 3.29Å; G288-P290 WeakPolarHBondContact O-CD 3.44Å; P290-P310 WeakPolarHBondContact O-CA 3.16Å; P290-T311 PolarHBondContact O-N 3.45Å; P290-T311 PolarHBondContact O-OG1 3.4Å
291	H	98.8	Very high	98.6	Very high	76 Å²	76	23.6 Å²	23.6	35%	0.352	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	135.5	-173.7	-57.4	101.8	0	0	0	112.1	E256 T308	E256-H291 PolarHBondContact N-O 3.41Å; H291-T308 HydrophobicContact CB-CG2 4.06Å
292	V	98.9	Very high	98.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	120.4	166.2	-175.3	0	0	0	0	108.7	E256 K258 W280 S284 T308 F309 M314	E256-V292 HydrophobicContact CB-CB 4.45Å; E256-V292 HydrophobicContact CB-CG1 4.32Å; E256-V292 HydrophobicContact CB-CG2 4Å; E256-V292 HydrophobicContact CG-CG1 4.36Å; E256-V292 HydrophobicContact CG-CG2 4.45Å; E256-V292 CarbonylContact O-C 3.58Å; E256-V292 VanDerWaalsContact O-CA 3.3Å; E256-V292 WeakPolarHBondContact O-CA 3.47Å; K258-V292 HydrophobicContact CB-CG1 4.19Å; K258-V292 HydrophobicContact CG-CG1 3.56Å; W280-V292 HydrophobicContact CD2-CG1 4.29Å; W280-V292 HydrophobicContact CE3-CG1 3.93Å; W280-V292 HydrophobicContact CZ3-CG1 4.4Å; S284-V292 VanDerWaalsContact OG-CG2 3.3Å; S284-V292 WeakPolarHBondContact OG-CG2 3.28Å; V292-T308 CarbonylContact O-C 3.59Å; V292-F309 PolarHBondContact N-O 2.95Å; V292-F309 PolarHBondContact O-N 3.14Å; V292-M314 HydrophobicContact CB-CE 3.67Å; V292-M314 HydrophobicContact CG2-CE 3.37Å
293	V	98.9	Very high	98.6	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.024	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	118.1	176.7	179.8	0	0	0	0	108.9	Y73 M198 V255 E256 L257 K258 L306 T308	Y73-V293 HydrophobicContact CE2-CB 4.44Å; Y73-V293 HydrophobicContact CE2-CG1 4.35Å; Y73-V293 HydrophobicContact CE2-CG2 4.15Å; M198-V293 HydrophobicContact CE-CG1 4.22Å; V255-V293 HydrophobicContact CG1-CB 4.28Å; V255-V293 HydrophobicContact CG1-CG2 3.66Å; E256-V293 PolarHBondContact O-N 3.07Å; L257-V293 WeakPolarHBondContact CA-O 3.39Å; L257-V293 HydrophobicContact CD2-CB 3.93Å; K258-V293 PolarHBondContact N-O 3.01Å; V293-L306 HydrophobicContact CG1-CD2 4.25Å; V293-T308 HydrophobicContact CG2-CG2 4.31Å
294	A	98.9	Very high	98.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	126.6	-178.2	0	0	0	0	0	111.8	K258 W280 F296 L306 K307 F309	K258-A294 CarbonylContact O-C 3.53Å; K258-A294 VanDerWaalsContact O-CA 3.23Å; K258-A294 WeakPolarHBondContact O-CA 3.39Å; W280-A294 HydrophobicContact CH2-CB 3.64Å; W280-A294 HydrophobicContact CZ3-CB 3.72Å; A294-F296 HydrophobicContact CB-CE1 4.48Å; A294-F296 HydrophobicContact CB-CZ 4.21Å; A294-L306 CarbonylContact O-C 3.53Å; A294-L306 VanDerWaalsContact O-CA 3.31Å; A294-L306 WeakPolarHBondContact O-CA 3.14Å; A294-K307 PolarHBondContact N-O 3.09Å; A294-K307 PolarHBondContact O-N 3.02Å; A294-F309 HydrophobicContact CB-CD2 4.11Å; A294-F309 HydrophobicContact CB-CE2 3.8Å
295	G	98.8	Very high	98.5	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	120.5	161.7	0	0	0	0	0	111	K258 T259 S260	K258-G295 PolarHBondContact O-N 3.45Å; T259-G295 VanDerWaalsContact CA-O 3.29Å; T259-G295 WeakPolarHBondContact CA-O 3.44Å; S260-G295 PolarHBondContact N-O 3.39Å
296	F	98.8	Very high	98.5	Very high	9 Å²	9	30.5 Å²	30.5	4%	0.039	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	118.4	174	-60.2	-71.3	0	0	0	110.3	S260 E262 M263 W269 A294 V303 C304 S305 K307 F309	S260-F296 CarbonylContact O-C 3.5Å; S260-F296 VanDerWaalsContact O-CA 3.26Å; S260-F296 WeakPolarHBondContact O-CA 3.49Å; E262-F296 HydrophobicContact CG-CB 3.67Å; M263-F296 HydrophobicContact CE-CD1 4Å; M263-F296 HydrophobicContact CE-CE1 3.4Å; M263-F296 HydrophobicContact CE-CZ 4.09Å; W269-F296 HydrophobicContact CH2-CE1 4.17Å; W269-F296 AromaticContact CH2-CE2 3.92Å; W269-F296 HydrophobicContact CH2-CE2 3.92Å; W269-F296 AromaticContact CH2-CZ 3.53Å; W269-F296 HydrophobicContact CH2-CZ 3.53Å; W269-F296 HydrophobicContact CZ2-CZ 4.49Å; W269-F296 HydrophobicContact CZ3-CZ 4.04Å; A294-F296 HydrophobicContact CB-CE1 4.48Å; A294-F296 HydrophobicContact CB-CZ 4.21Å; F296-V303 WeakPolarHBondContact O-CA 3.31Å; F296-C304 PolarHBondContact O-N 2.99Å; F296-S305 PolarHBondContact N-O 3.49Å; F296-K307 HydrophobicContact CE2-CB 3.57Å; F296-K307 HydrophobicContact CE2-CD 4.22Å; F296-K307 HydrophobicContact CZ-CB 4.26Å; F296-K307 HydrophobicContact CZ-CD 4.44Å; F296-F309 AromaticContact CZ-CE2 3.98Å; F296-F309 HydrophobicContact CZ-CE2 3.98Å; F296-F309 HydrophobicContact CZ-CZ 4.05Å
297	R	98.4	Very high	98.5	Very high	32 Å²	32	34.7 Å²	34.7	12%	0.121	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	137.2	-178.2	60.2	171.5	-171.3	80.3	-1.7	112.4	L87 L187 S260 K261 E262 F302 V303	L87-R297 HydrophobicContact CD1-CB 4.18Å; L187-R297 VanDerWaalsContact CD2-CZ 3.44Å; S260-R297 WeakPolarHBondContact O-CG 3.3Å; S260-R297 PolarHBondContact O-N 3.29Å; K261-R297 WeakPolarHBondContact CA-O 3.37Å; E262-R297 PolarHBondContact N-O 3.04Å; R297-F302 CarbonylContact C-O 3.54Å; R297-F302 WeakPolarHBondContact CA-O 3.14Å; R297-V303 HydrophobicContact CB-CG2 4.02Å
298	N	98.4	Very high	98.5	Very high	26 Å²	26	37.8 Å²	37.8	14%	0.139	21%	0.21	C	C	.	.			trans	-75.3	174.9	171	71.3	10.5	0	0	0	111.3	E300 G301 F302	N298-E300 PolarHBondContact ND2-OE2 2.93Å; N298-E300 PolarHBondContact O-N 2.92Å; N298-E300 WeakPolarHBondContact OD1-CA 3.49Å; N298-E300 WeakPolarHBondContact OD1-CB 3.29Å; N298-E300 PolarHBondContact OD1-N 3.28Å; N298-E300 VanDerWaalsContact OD1-N 3.1Å; N298-E300 PolarHBondContact OD1-OE2 2.98Å; N298-G301 PolarHBondContact O-N 3.47Å; N298-G301 PolarHBondContact OD1-N 3.31Å; N298-F302 PolarHBondContact N-O 3.43Å; N298-F302 PolarHBondContact OD1-N 3.31Å; N298-F302 PolarHBondContact OD1-O 2.86Å
299	P	97.8	Very high	98.5	Very high	101 Å²	101	37 Å²	37	66%	0.656	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-28.7	176	-25.4	36.5	0	0	0	114.5	G301	P299-G301 PolarHBondContact O-N 3.18Å
300	E	98.1	Very high	98.5	Very high	104 Å²	104	38.5 Å²	38.5	49%	0.486	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-14.4	-178.9	-62	66.7	-140.6	0	0	112.5	R88 N298 F302	R88-E300 PolarHBondContact NH1-O 2.77Å; N298-E300 PolarHBondContact ND2-OE2 2.93Å; N298-E300 PolarHBondContact O-N 2.92Å; N298-E300 WeakPolarHBondContact OD1-CA 3.49Å; N298-E300 WeakPolarHBondContact OD1-CB 3.29Å; N298-E300 PolarHBondContact OD1-N 3.28Å; N298-E300 VanDerWaalsContact OD1-N 3.1Å; N298-E300 PolarHBondContact OD1-OE2 2.98Å; E300-F302 HydrophobicContact CB-CD2 3.86Å; E300-F302 HydrophobicContact CB-CE2 4.18Å
301	G	98.1	Very high	98.5	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	101.2	10.2	175.9	0	0	0	0	0	114.8	L87 M190 N298 P299	L87-G301 WeakPolarHBondContact CB-O 3.28Å; L87-G301 WeakPolarHBondContact CG-O 3.36Å; L87-G301 PolarHBondContact N-O 2.78Å; L87-G301 VanDerWaalsContact N-O 3.09Å; M190-G301 VanDerWaalsContact CE-CA 3.48Å; N298-G301 PolarHBondContact O-N 3.47Å; N298-G301 PolarHBondContact OD1-N 3.31Å; P299-G301 PolarHBondContact O-N 3.18Å
302	F	98.8	Very high	98.5	Very high	63 Å²	63	39.9 Å²	39.9	28%	0.276	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	140.6	179.7	-65.8	-103.1	0	0	0	111.4	F85 D86 R297 N298 E300	F85-F302 CarbonylContact O-C 3.57Å; F85-F302 WeakPolarHBondContact O-CA 3.46Å; D86-F302 HydrophobicContact CB-CD1 3.95Å; D86-F302 HydrophobicContact CB-CE1 3.49Å; D86-F302 VanDerWaalsContact CB-CE1 3.49Å; D86-F302 HydrophobicContact CB-CZ 4Å; R297-F302 CarbonylContact C-O 3.54Å; R297-F302 WeakPolarHBondContact CA-O 3.14Å; N298-F302 PolarHBondContact N-O 3.43Å; N298-F302 PolarHBondContact OD1-N 3.31Å; N298-F302 PolarHBondContact OD1-O 2.86Å; E300-F302 HydrophobicContact CB-CD2 3.86Å; E300-F302 HydrophobicContact CB-CE2 4.18Å
303	V	98.8	Very high	98.5	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	111.1	167	172.1	0	0	0	0	109.3	P83 D84 F85 L87 F194 F296 R297 S305 L306	P83-V303 CarbonylContact C-O 3.5Å; D84-V303 WeakPolarHBondContact CA-O 3.39Å; D84-V303 PolarHBondContact N-O 3.23Å; F85-V303 HydrophobicContact CB-CB 4.2Å; F85-V303 HydrophobicContact CD2-CB 3.97Å; F85-V303 HydrophobicContact CD2-CG1 4.01Å; F85-V303 PolarHBondContact N-O 3.37Å; F85-V303 VanDerWaalsContact N-O 3.1Å; F85-V303 PolarHBondContact O-N 2.87Å; L87-V303 HydrophobicContact CD1-CG2 3.55Å; L87-V303 HydrophobicContact CD2-CG2 4.07Å; L87-V303 HydrophobicContact CG-CG2 3.9Å; F194-V303 HydrophobicContact CD2-CG2 4.15Å; F194-V303 HydrophobicContact CE2-CG1 4.13Å; F194-V303 HydrophobicContact CE2-CG2 4.47Å; F296-V303 WeakPolarHBondContact O-CA 3.31Å; R297-V303 HydrophobicContact CB-CG2 4.02Å; V303-S305 WeakPolarHBondContact CG1-O 3.42Å; V303-L306 HydrophobicContact CG1-CD2 4.43Å
304	C	97.5	Very high	98.5	Very high	54 Å²	54	45.3 Å²	45.3	37%	0.365	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	-3.9	-178.5	-55.9	0	0	0	0	113	P83 F296	P83-C304 WeakPolarHBondContact O-CA 3.42Å; F296-C304 PolarHBondContact O-N 2.99Å
305	S	98.2	Very high	98.5	Very high	46 Å²	46	46.9 Å²	46.9	32%	0.322	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	148.6	175.8	62.5	0	0	0	0	112.9	F296 V303	F296-S305 PolarHBondContact N-O 3.49Å; V303-S305 WeakPolarHBondContact CG1-O 3.42Å
306	L	98.6	Very high	98.5	Very high	56 Å²	56	51.3 Å²	51.3	29%	0.293	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	143.6	178	-69.9	166.9	0	0	0	110.1	P76 P83 F85 F194 M198 V293 A294 V303	P76-L306 HydrophobicContact CG-CD1 4.08Å; P83-L306 HydrophobicContact CB-CD1 4.17Å; P83-L306 HydrophobicContact CB-CG 4.33Å; P83-L306 HydrophobicContact CG-CD1 4.12Å; P83-L306 HydrophobicContact CG-CG 4.04Å; F85-L306 HydrophobicContact CE2-CD1 4.45Å; F194-L306 HydrophobicContact CE2-CD2 3.74Å; F194-L306 HydrophobicContact CZ-CD2 3.59Å; M198-L306 HydrophobicContact CE-CD1 3.91Å; M198-L306 HydrophobicContact CE-CD2 4.06Å; M198-L306 HydrophobicContact SD-CD1 4.01Å; M198-L306 HydrophobicContact SD-CD2 4.05Å; V293-L306 HydrophobicContact CG1-CD2 4.25Å; A294-L306 CarbonylContact O-C 3.53Å; A294-L306 VanDerWaalsContact O-CA 3.31Å; A294-L306 WeakPolarHBondContact O-CA 3.14Å; V303-L306 HydrophobicContact CG1-CD2 4.43Å
307	K	98.6	Very high	98.5	Very high	91 Å²	91	53.9 Å²	53.9	40%	0.396	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	130.5	171.1	-177.3	173.8	172.3	70.4	0	111	W269 A294 F296 F309	W269-K307 HydrophobicContact CH2-CD 4.12Å; A294-K307 PolarHBondContact N-O 3.09Å; A294-K307 PolarHBondContact O-N 3.02Å; F296-K307 HydrophobicContact CE2-CB 3.57Å; F296-K307 HydrophobicContact CE2-CD 4.22Å; F296-K307 HydrophobicContact CZ-CB 4.26Å; F296-K307 HydrophobicContact CZ-CD 4.44Å; K307-F309 HydrophobicContact CB-CE2 4Å; K307-F309 HydrophobicContact CB-CZ 4.49Å; K307-F309 HydrophobicContact CD-CE1 4.08Å; K307-F309 HydrophobicContact CD-CE2 3.84Å; K307-F309 HydrophobicContact CD-CZ 3.49Å; K307-F309 VanDerWaalsContact CD-CZ 3.49Å; K307-F309 HydrophobicContact CG-CD2 4.3Å; K307-F309 HydrophobicContact CG-CE2 3.78Å; K307-F309 HydrophobicContact CG-CZ 3.95Å
308	T	98.8	Very high	98.5	Very high	67 Å²	67	52.5 Å²	52.5	41%	0.411	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	135.6	171.2	-53.9	0	0	0	0	110.4	H291 V292 V293	H291-T308 HydrophobicContact CB-CG2 4.06Å; V292-T308 CarbonylContact O-C 3.59Å; V293-T308 HydrophobicContact CG2-CG2 4.31Å
309	F	98.8	Very high	98.5	Very high	9 Å²	9	57 Å²	57	4%	0.039	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	104.5	172.3	-66.6	-91.7	0	0	0	108.6	W269 F272 Y273 L277 W280 V292 A294 F296 K307 T311 M314	W269-F309 HydrophobicContact CZ3-CZ 4.1Å; F272-F309 AromaticContact CE1-CE1 3.94Å; F272-F309 HydrophobicContact CE1-CE1 3.94Å; F272-F309 AromaticContact CE1-CZ 3.77Å; F272-F309 HydrophobicContact CE1-CZ 3.77Å; F272-F309 HydrophobicContact CZ-CE1 4.36Å; F272-F309 HydrophobicContact CZ-CE2 4.28Å; F272-F309 AromaticContact CZ-CZ 3.9Å; F272-F309 HydrophobicContact CZ-CZ 3.9Å; Y273-F309 HydrophobicContact CE1-CE1 4.25Å; L277-F309 HydrophobicContact CD1-CD1 3.85Å; L277-F309 HydrophobicContact CD1-CE1 4.2Å; L277-F309 HydrophobicContact CD1-CG 4.19Å; W280-F309 HydrophobicContact CZ3-CD2 4.06Å; W280-F309 HydrophobicContact CZ3-CE2 4.08Å; V292-F309 PolarHBondContact N-O 2.95Å; V292-F309 PolarHBondContact O-N 3.14Å; A294-F309 HydrophobicContact CB-CD2 4.11Å; A294-F309 HydrophobicContact CB-CE2 3.8Å; F296-F309 AromaticContact CZ-CE2 3.98Å; F296-F309 HydrophobicContact CZ-CE2 3.98Å; F296-F309 HydrophobicContact CZ-CZ 4.05Å; K307-F309 HydrophobicContact CB-CE2 4Å; K307-F309 HydrophobicContact CB-CZ 4.49Å; K307-F309 HydrophobicContact CD-CE1 4.08Å; K307-F309 HydrophobicContact CD-CE2 3.84Å; K307-F309 HydrophobicContact CD-CZ 3.49Å; K307-F309 VanDerWaalsContact CD-CZ 3.49Å; K307-F309 HydrophobicContact CG-CD2 4.3Å; K307-F309 HydrophobicContact CG-CE2 3.78Å; K307-F309 HydrophobicContact CG-CZ 3.95Å; F309-T311 PolarHBondContact O-N 2.8Å; F309-M314 HydrophobicContact CB-CE 3.64Å; F309-M314 HydrophobicContact CB-CG 4.46Å
310	P	98.8	Very high	98.5	Very high	35 Å²	35	60.5 Å²	60.5	23%	0.227	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	125.8	169.9	-21.5	33.8	0	0	0	109.8	P290 M312 E313 M314	P290-P310 WeakPolarHBondContact O-CA 3.16Å; P310-M312 PolarHBondContact O-N 3.49Å; P310-E313 HydrophobicContact CB-CB 4.17Å; P310-E313 HydrophobicContact CB-CG 4.07Å; P310-E313 PolarHBondContact O-N 2.94Å; P310-M314 PolarHBondContact O-N 3.28Å
311	T	98.8	Very high	98.5	Very high	3 Å²	3	57.3 Å²	57.3	2%	0.018	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-55.1	-39.9	-175.2	-59.6	0	0	0	0	111.7	F285 V289 P290 F309 E313 M314	F285-T311 HydrophobicContact CB-CG2 3.99Å; V289-T311 WeakPolarHBondContact O-CB 3.34Å; V289-T311 PolarHBondContact O-OG1 2.93Å; P290-T311 PolarHBondContact O-N 3.45Å; P290-T311 PolarHBondContact O-OG1 3.4Å; F309-T311 PolarHBondContact O-N 2.8Å; T311-E313 VanDerWaalsContact C-N 3.26Å; T311-E313 PolarHBondContact O-N 3.22Å; T311-M314 PolarHBondContact O-N 2.85Å
312	M	98.5	Very high	98.3	Very high	137 Å²	137	69.1 Å²	69.1	68%	0.675	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-72.8	-16	-178.6	-61.5	-53.2	-61.3	0	0	114	F285 P310	F285-M312 HydrophobicContact CD2-SD 4.04Å; F285-M312 HydrophobicContact CE2-CE 4.31Å; F285-M312 HydrophobicContact CE2-SD 4.05Å; P310-M312 PolarHBondContact O-N 3.49Å
313	E	98.8	Very high	98.2	Very high	118 Å²	118	71.3 Å²	71.3	55%	0.551	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-101.1	-7.7	-179.8	-65.1	175	-153.8	0	0	112.6	P310 T311 F315 E316	P310-E313 HydrophobicContact CB-CB 4.17Å; P310-E313 HydrophobicContact CB-CG 4.07Å; P310-E313 PolarHBondContact O-N 2.94Å; T311-E313 VanDerWaalsContact C-N 3.26Å; T311-E313 PolarHBondContact O-N 3.22Å; E313-F315 VanDerWaalsContact C-N 3.26Å; E313-F315 PolarHBondContact O-N 3.37Å; E313-E316 WeakPolarHBondContact O-CB 3.49Å; E313-E316 WeakPolarHBondContact O-CG 3.47Å; E313-E316 PolarHBondContact O-N 3Å
314	M	98.9	Very high	98.2	Very high	1 Å²	1	72.1 Å²	72.1	1%	0.005	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-57.6	-39.8	-176.2	-72.5	-172.2	176.9	0	0	112.9	L277 W280 W281 V292 F309 P310 T311 E316 N317 W325	L277-M314 HydrophobicContact CD1-CE 4.2Å; L277-M314 HydrophobicContact CD1-CG 4.08Å; L277-M314 HydrophobicContact CD1-SD 3.98Å; L277-M314 HydrophobicContact CD2-CB 3.81Å; L277-M314 HydrophobicContact CD2-CG 4.09Å; L277-M314 WeakPolarHBondContact CD2-O 3.37Å; L277-M314 HydrophobicContact CG-CB 3.96Å; L277-M314 HydrophobicContact CG-CG 3.97Å; L277-M314 HydrophobicContact CG-SD 4.01Å; W280-M314 HydrophobicContact CB-CE 4.12Å; W280-M314 HydrophobicContact CB-SD 4.25Å; W281-M314 WeakPolarHBondContact CA-SD 3.29Å; W281-M314 HydrophobicContact CB-CB 4.19Å; W281-M314 HydrophobicContact CB-SD 3.63Å; W281-M314 PolarHBondContact N-SD 3.41Å; W281-M314 VanDerWaalsContact N-SD 3.45Å; V292-M314 HydrophobicContact CB-CE 3.67Å; V292-M314 HydrophobicContact CG2-CE 3.37Å; F309-M314 HydrophobicContact CB-CE 3.64Å; F309-M314 HydrophobicContact CB-CG 4.46Å; P310-M314 PolarHBondContact O-N 3.28Å; T311-M314 PolarHBondContact O-N 2.85Å; M314-E316 VanDerWaalsContact C-N 3.25Å; M314-E316 PolarHBondContact O-N 3.48Å; M314-N317 PolarHBondContact O-N 2.83Å; M314-N317 PolarHBondContact O-ND2 3.47Å; M314-W325 HydrophobicContact CB-CH2 4.34Å
315	F	98.8	Very high	98.3	Very high	32 Å²	32	69.7 Å²	69.7	14%	0.14	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-65.3	-25.5	179.9	175.1	-123.6	0	0	0	113.3	E313 N317 V318 R319 W325 P327	E313-F315 VanDerWaalsContact C-N 3.26Å; E313-F315 PolarHBondContact O-N 3.37Å; F315-N317 PolarHBondContact O-N 3.4Å; F315-N317 VanDerWaalsContact O-N 3.11Å; F315-V318 HydrophobicContact CD2-CG2 3.72Å; F315-V318 HydrophobicContact CE2-CG2 4.13Å; F315-V318 CarbonylContact O-C 3.54Å; F315-V318 WeakPolarHBondContact O-CG2 3.27Å; F315-V318 PolarHBondContact O-N 3.46Å; F315-R319 HydrophobicContact CE1-CB 4.11Å; F315-R319 HydrophobicContact CE1-CG 4.02Å; F315-R319 HydrophobicContact CE2-CB 4.49Å; F315-R319 HydrophobicContact CZ-CB 4.11Å; F315-R319 HydrophobicContact CZ-CG 4.18Å; F315-R319 PolarHBondContact O-N 3.22Å; F315-W325 HydrophobicContact CB-CH2 4.18Å; F315-W325 HydrophobicContact CB-CZ3 4.41Å; F315-W325 HydrophobicContact CD2-CZ3 4.47Å; F315-W325 WeakPolarHBondContact CE2-O 3.42Å; F315-P327 HydrophobicContact CB-CG 3.78Å; F315-P327 HydrophobicContact CD1-CG 4.02Å; F315-P327 HydrophobicContact CD2-CG 3.83Å; F315-P327 VanDerWaalsContact CE2-CD 3.47Å; F315-P327 HydrophobicContact CE2-CG 4.45Å; F315-P327 HydrophobicContact CG-CG 3.58Å
316	E	98.7	Very high	98.3	Very high	93 Å²	93	70 Å²	70	44%	0.435	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-57.8	-32	179.9	-59.4	-49.8	133.9	0	0	112.3	E313 M314 V318 R319	E313-E316 WeakPolarHBondContact O-CB 3.49Å; E313-E316 WeakPolarHBondContact O-CG 3.47Å; E313-E316 PolarHBondContact O-N 3Å; M314-E316 VanDerWaalsContact C-N 3.25Å; M314-E316 PolarHBondContact O-N 3.48Å; E316-V318 PolarHBondContact O-N 3.12Å; E316-V318 VanDerWaalsContact O-N 3.16Å; E316-R319 IonicContact OE1-CZ 3.3Å; E316-R319 IonicContact OE1-NE 3.08Å; E316-R319 PolarHBondContact OE1-NE 3.01Å; E316-R319 IonicContact OE1-NH2 2.73Å; E316-R319 PolarHBondContact OE1-NH2 2.83Å; E316-R319 IonicContact OE2-CZ 3.43Å; E316-R319 IonicContact OE2-NE 3.98Å; E316-R319 PolarHBondContact OE2-NE 3.13Å; E316-R319 IonicContact OE2-NH2 3.46Å; E316-R319 PolarHBondContact OE2-NH2 3.07Å
317	N	98.6	Very high	98.3	Very high	64 Å²	64	68 Å²	68	34%	0.342	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-65.2	-18.2	179	-61.1	-80.9	0	0	0	113.7	Y273 L277 M314 F315	Y273-N317 HydrophobicContact CD1-CB 3.85Å; Y273-N317 HydrophobicContact CD2-CB 3.86Å; Y273-N317 HydrophobicContact CE1-CB 4.25Å; Y273-N317 HydrophobicContact CE2-CB 4.26Å; Y273-N317 HydrophobicContact CG-CB 3.65Å; L277-N317 HydrophobicContact CD2-CB 4.33Å; M314-N317 PolarHBondContact O-N 2.83Å; M314-N317 PolarHBondContact O-ND2 3.47Å; F315-N317 PolarHBondContact O-N 3.4Å; F315-N317 VanDerWaalsContact O-N 3.11Å
318	V	98.6	Very high	98.3	Very high	3 Å²	3	64.5 Å²	64.5	2%	0.018	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.9	2.1	-177.4	-59.6	0	0	0	0	113.6	R274 F315 E316 H320 D321 W325	R274-V318 HydrophobicContact CG-CG1 4.45Å; F315-V318 HydrophobicContact CD2-CG2 3.72Å; F315-V318 HydrophobicContact CE2-CG2 4.13Å; F315-V318 CarbonylContact O-C 3.54Å; F315-V318 WeakPolarHBondContact O-CG2 3.27Å; F315-V318 PolarHBondContact O-N 3.46Å; E316-V318 PolarHBondContact O-N 3.12Å; E316-V318 VanDerWaalsContact O-N 3.16Å; V318-H320 PolarHBondContact O-N 2.86Å; V318-H320 VanDerWaalsContact O-N 3.13Å; V318-D321 HydrophobicContact CB-CB 4.23Å; V318-D321 WeakPolarHBondContact O-CB 3.42Å; V318-D321 PolarHBondContact O-N 2.62Å; V318-W325 HydrophobicContact CG2-CD2 4.11Å; V318-W325 HydrophobicContact CG2-CG 4.24Å; V318-W325 HydrophobicContact CG2-CZ2 4.28Å; V318-W325 WeakPolarHBondContact CG2-O 3.41Å
319	R	98.1	Very high	98.3	Very high	119 Å²	119	61.4 Å²	61.4	45%	0.449	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-38.4	-176.7	178.6	-174.2	-72.5	-87.6	2.2	113.4	F315 E316	F315-R319 HydrophobicContact CE1-CB 4.11Å; F315-R319 HydrophobicContact CE1-CG 4.02Å; F315-R319 HydrophobicContact CE2-CB 4.49Å; F315-R319 HydrophobicContact CZ-CB 4.11Å; F315-R319 HydrophobicContact CZ-CG 4.18Å; F315-R319 PolarHBondContact O-N 3.22Å; E316-R319 IonicContact OE1-CZ 3.3Å; E316-R319 IonicContact OE1-NE 3.08Å; E316-R319 PolarHBondContact OE1-NE 3.01Å; E316-R319 IonicContact OE1-NH2 2.73Å; E316-R319 PolarHBondContact OE1-NH2 2.83Å; E316-R319 IonicContact OE2-CZ 3.43Å; E316-R319 IonicContact OE2-NE 3.98Å; E316-R319 PolarHBondContact OE2-NE 3.13Å; E316-R319 IonicContact OE2-NH2 3.46Å; E316-R319 PolarHBondContact OE2-NH2 3.07Å
320	H	97.5	Very high	98.4	Very high	175 Å²	175	61 Å²	61	81%	0.81	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	12.3	-179.7	-57.8	-62.9	0	0	0	113	V318	V318-H320 PolarHBondContact O-N 2.86Å; V318-H320 VanDerWaalsContact O-N 3.13Å
321	D	97.6	Very high	98.4	Very high	37 Å²	37	59.3 Å²	59.3	20%	0.198	28%	0.278	C	S	.	.			trans	-90	125.7	178.7	-167.7	-24.5	0	0	0	110.4	R274 V318 D323 G324	R274-D321 IonicContact CZ-OD1 2.84Å; R274-D321 IonicContact CZ-OD2 3.42Å; R274-D321 VanDerWaalsContact CZ-OD2 3.3Å; R274-D321 IonicContact NE-OD1 2.88Å; R274-D321 PolarHBondContact NE-OD1 2.85Å; R274-D321 IonicContact NE-OD2 2.79Å; R274-D321 PolarHBondContact NE-OD2 2.85Å; R274-D321 VanDerWaalsContact NH2-CG 3.28Å; R274-D321 IonicContact NH2-OD1 2.67Å; R274-D321 PolarHBondContact NH2-OD1 3.24Å; R274-D321 IonicContact NH2-OD2 3.49Å; R274-D321 PolarHBondContact NH2-OD2 3.47Å; R274-D321 VanDerWaalsContact NH2-OD2 3.08Å; V318-D321 HydrophobicContact CB-CB 4.23Å; V318-D321 WeakPolarHBondContact O-CB 3.42Å; V318-D321 PolarHBondContact O-N 2.62Å; D321-D323 PolarHBondContact O-N 3.09Å; D321-D323 PolarHBondContact OD1-N 3.35Å; D321-G324 PolarHBondContact O-N 3.14Å
322	R	95.6	Very high	98.4	Very high	249 Å²	249	60.7 Å²	60.7	94%	0.94	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-29.8	178.6	-67.6	-173.9	178.9	-158.7	-0	113.4
323	D	96.8	Very high	98.4	Very high	109 Å²	109	54.1 Å²	54.1	58%	0.583	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	15.5	176	-43.3	-57.3	0	0	0	111.5	R274 D321	R274-D323 VanDerWaalsContact CZ-CB 3.48Å; R274-D323 IonicContact CZ-OD2 3.75Å; R274-D323 IonicContact NH1-OD2 3.57Å; R274-D323 PolarHBondContact NH1-OD2 2.79Å; R274-D323 IonicContact NH2-OD2 2.81Å; R274-D323 PolarHBondContact NH2-OD2 3.42Å; D321-D323 PolarHBondContact O-N 3.09Å; D321-D323 PolarHBondContact OD1-N 3.35Å
324	G	98.2	Very high	98.4	Very high	16 Å²	16	48.6 Å²	48.6	17%	0.165	23%	0.228	C	C	.	.			trans	-71.3	155.5	176.4	0	0	0	0	0	112.8	D321	D321-G324 PolarHBondContact O-N 3.14Å
325	W	98.8	Very high	98.4	Very high	4 Å²	4	49.3 Å²	49.3	2%	0.015	23%	0.234	C	C	.	.			trans	-87.5	157.6	168.5	54.5	-86.3	0	0	0	110.3	Y146 Y273 R274 L278 W281 M314 F315 V318 P327	Y146-W325 HydrophobicContact CD1-CB 4.22Å; Y146-W325 HydrophobicContact CD2-CB 3.93Å; Y146-W325 HydrophobicContact CE1-CB 4.13Å; Y146-W325 HydrophobicContact CE2-CB 3.83Å; Y146-W325 HydrophobicContact CG-CB 4.13Å; Y273-W325 PolarHBondContact O-NE1 3.16Å; R274-W325 VanDerWaalsContact O-CD1 3.26Å; L278-W325 HydrophobicContact CB-CD2 3.87Å; L278-W325 HydrophobicContact CB-CG 3.78Å; L278-W325 HydrophobicContact CD1-CB 4.02Å; L278-W325 HydrophobicContact CD1-CD2 3.63Å; L278-W325 HydrophobicContact CD1-CE3 3.59Å; L278-W325 HydrophobicContact CD1-CG 3.82Å; L278-W325 HydrophobicContact CD1-CZ3 4.27Å; L278-W325 HydrophobicContact CD2-CB 4.1Å; L278-W325 HydrophobicContact CD2-CG 4.26Å; L278-W325 HydrophobicContact CG-CB 4.42Å; L278-W325 HydrophobicContact CG-CD2 4.27Å; L278-W325 HydrophobicContact CG-CG 4.14Å; W281-W325 HydrophobicContact CB-CH2 3.51Å; W281-W325 HydrophobicContact CB-CZ2 4.2Å; W281-W325 HydrophobicContact CB-CZ3 4.11Å; W281-W325 AromaticContact CD2-CH2 3.82Å; W281-W325 HydrophobicContact CD2-CH2 3.82Å; W281-W325 AromaticContact CD2-CZ3 3.5Å; W281-W325 HydrophobicContact CD2-CZ3 3.5Å; W281-W325 HydrophobicContact CE3-CE3 4.25Å; W281-W325 HydrophobicContact CE3-CH2 4.21Å; W281-W325 AromaticContact CE3-CZ3 3.58Å; W281-W325 HydrophobicContact CE3-CZ3 3.58Å; W281-W325 AromaticContact CG-CH2 3.46Å; W281-W325 HydrophobicContact CG-CH2 3.46Å; W281-W325 VanDerWaalsContact CG-CH2 3.46Å; W281-W325 AromaticContact CG-CZ3 3.71Å; W281-W325 HydrophobicContact CG-CZ3 3.71Å; W281-W325 HydrophobicContact CZ3-CZ3 4.31Å; M314-W325 HydrophobicContact CB-CH2 4.34Å; F315-W325 HydrophobicContact CB-CH2 4.18Å; F315-W325 HydrophobicContact CB-CZ3 4.41Å; F315-W325 HydrophobicContact CD2-CZ3 4.47Å; F315-W325 WeakPolarHBondContact CE2-O 3.42Å; V318-W325 HydrophobicContact CG2-CD2 4.11Å; V318-W325 HydrophobicContact CG2-CG 4.24Å; V318-W325 HydrophobicContact CG2-CZ2 4.28Å; V318-W325 WeakPolarHBondContact CG2-O 3.41Å; W325-P327 HydrophobicContact CE3-CG 4.4Å; W325-P327 HydrophobicContact CZ3-CG 3.84Å
326	N	98.8	Very high	98.4	Very high	52 Å²	52	49.1 Å²	49.1	28%	0.278	24%	0.238	S	C	.	.			trans	-126.3	123.8	-178.7	-173	-36.8	0	0	0	110.6	Y146 S328 V329 C330	Y146-N326 PolarHBondContact OH-N 2.78Å; N326-S328 PolarHBondContact O-N 3.04Å; N326-S328 WeakPolarHBondContact OD1-CB 3.36Å; N326-S328 PolarHBondContact OD1-N 3.38Å; N326-S328 PolarHBondContact OD1-OG 3.3Å; N326-V329 HydrophobicContact CB-CB 4.26Å; N326-V329 HydrophobicContact CB-CG2 3.96Å; N326-V329 WeakPolarHBondContact O-CB 3.48Å; N326-V329 PolarHBondContact O-N 2.87Å; N326-V329 VanDerWaalsContact O-N 3.12Å; N326-C330 PolarHBondContact O-N 3.29Å; N326-C330 PolarHBondContact O-SG 2.93Å
327	P	98.9	Very high	98.4	Very high	13 Å²	13	44.7 Å²	44.7	8%	0.084	22%	0.217	C	C	.	.	H	α-helix	trans	-50.2	-40.8	175.1	-29.6	33.6	0	0	0	114	F43 W281 F315 W325 V329 C330 M331	F43-P327 HydrophobicContact CD2-CB 4.09Å; F43-P327 HydrophobicContact CE2-CB 3.81Å; W281-P327 HydrophobicContact CH2-CB 3.87Å; W281-P327 HydrophobicContact CZ2-CB 3.56Å; W281-P327 HydrophobicContact CZ2-CG 4.16Å; F315-P327 HydrophobicContact CB-CG 3.78Å; F315-P327 HydrophobicContact CD1-CG 4.02Å; F315-P327 HydrophobicContact CD2-CG 3.83Å; F315-P327 VanDerWaalsContact CE2-CD 3.47Å; F315-P327 HydrophobicContact CE2-CG 4.45Å; F315-P327 HydrophobicContact CG-CG 3.58Å; W325-P327 HydrophobicContact CE3-CG 4.4Å; W325-P327 HydrophobicContact CZ3-CG 3.84Å; P327-V329 PolarHBondContact O-N 2.95Å; P327-C330 WeakPolarHBondContact O-CB 3.22Å; P327-C330 PolarHBondContact O-N 2.98Å; P327-M331 WeakPolarHBondContact O-CG 3.41Å; P327-M331 PolarHBondContact O-N 3.29Å
328	S	98.9	Very high	98.4	Very high	19 Å²	19	41.6 Å²	41.6	13%	0.133	20%	0.201	C	C	.	.	H	α-helix	trans	-63.4	-42.6	-179.6	-57.2	0	0	0	0	111.5	G41 F43 N326 C330 M331 N332	G41-S328 WeakPolarHBondContact O-CB 3.46Å; F43-S328 WeakPolarHBondContact CA-OG 3.36Å; F43-S328 WeakPolarHBondContact CB-OG 3.42Å; F43-S328 PolarHBondContact N-OG 3.23Å; N326-S328 PolarHBondContact O-N 3.04Å; N326-S328 WeakPolarHBondContact OD1-CB 3.36Å; N326-S328 PolarHBondContact OD1-N 3.38Å; N326-S328 PolarHBondContact OD1-OG 3.3Å; S328-C330 VanDerWaalsContact C-N 3.34Å; S328-C330 PolarHBondContact O-N 3.09Å; S328-M331 PolarHBondContact O-N 2.83Å; S328-N332 WeakPolarHBondContact O-CB 3.45Å; S328-N332 PolarHBondContact O-N 3.06Å; S328-N332 PolarHBondContact O-ND2 2.99Å; S328-N332 VanDerWaalsContact O-ND2 3.09Å
329	V	98.9	Very high	98.4	Very high	1 Å²	1	44 Å²	44	1%	0.006	22%	0.217	C	C	.	.	H	α-helix	trans	-59	-47.4	175.9	168.5	0	0	0	0	110.6	P36 Y39 P145 Y146 N326 P327 M331 F333	P36-V329 HydrophobicContact CB-CG1 3.92Å; Y39-V329 WeakPolarHBondContact O-CA 3.38Å; P145-V329 HydrophobicContact CB-CG1 3.76Å; P145-V329 HydrophobicContact CG-CG1 4.05Å; Y146-V329 HydrophobicContact CE2-CB 4.08Å; Y146-V329 HydrophobicContact CE2-CG1 3.7Å; Y146-V329 WeakPolarHBondContact OH-CB 3.22Å; N326-V329 HydrophobicContact CB-CB 4.26Å; N326-V329 HydrophobicContact CB-CG2 3.96Å; N326-V329 WeakPolarHBondContact O-CB 3.48Å; N326-V329 PolarHBondContact O-N 2.87Å; N326-V329 VanDerWaalsContact O-N 3.12Å; P327-V329 PolarHBondContact O-N 2.95Å; V329-M331 PolarHBondContact O-N 3.48Å; V329-F333 WeakPolarHBondContact O-CB 3.32Å; V329-F333 PolarHBondContact O-N 3.12Å
330	C	98.9	Very high	98.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-58.9	-49.6	-179.4	-56.8	0	0	0	0	111.4	L142 W281 N326 P327 S328 C334	L142-C330 HydrophobicContact CB-CB 4.17Å; L142-C330 HydrophobicContact CG-CB 4.23Å; L142-C330 VanDerWaalsContact O-CA 3.31Å; L142-C330 WeakPolarHBondContact O-CA 3.34Å; L142-C330 WeakPolarHBondContact O-CB 3.46Å; L142-C330 PolarHBondContact O-SG 3.45Å; L142-C330 VanDerWaalsContact O-SG 3.37Å; W281-C330 HydrophobicContact CH2-CB 3.95Å; W281-C330 HydrophobicContact CZ3-CB 3.67Å; N326-C330 PolarHBondContact O-N 3.29Å; N326-C330 PolarHBondContact O-SG 2.93Å; P327-C330 WeakPolarHBondContact O-CB 3.22Å; P327-C330 PolarHBondContact O-N 2.98Å; S328-C330 VanDerWaalsContact C-N 3.34Å; S328-C330 PolarHBondContact O-N 3.09Å; C330-C334 PolarHBondContact O-N 3.27Å; C330-C334 VanDerWaalsContact O-N 3.11Å
331	M	98.9	Very high	98.5	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-73.7	-37.6	-176.9	-62.3	-58.1	-66.1	0	0	112.6	F43 P44 Y46 L142 L227 W281 F285 P327 S328 V329 C334 A335	F43-M331 HydrophobicContact CD2-CG 4.49Å; F43-M331 HydrophobicContact CE2-CB 4.23Å; F43-M331 HydrophobicContact CE2-CG 3.55Å; F43-M331 HydrophobicContact CZ-CB 4.41Å; F43-M331 HydrophobicContact CZ-CG 3.65Å; P44-M331 HydrophobicContact CG-CB 3.47Å; P44-M331 VanDerWaalsContact CG-CB 3.47Å; Y46-M331 HydrophobicContact CD1-CE 4.37Å; Y46-M331 HydrophobicContact CD2-CE 3.53Å; Y46-M331 HydrophobicContact CE2-CE 3.94Å; Y46-M331 HydrophobicContact CG-CE 3.77Å; L142-M331 HydrophobicContact CD1-SD 4.09Å; L142-M331 HydrophobicContact CD2-SD 3.6Å; L142-M331 HydrophobicContact CG-SD 3.83Å; L227-M331 HydrophobicContact CD1-CB 4.46Å; L227-M331 HydrophobicContact CD1-CE 3.67Å; L227-M331 HydrophobicContact CD2-CE 4.04Å; L227-M331 HydrophobicContact CG-CE 4.4Å; W281-M331 HydrophobicContact CH2-CG 4.14Å; W281-M331 HydrophobicContact CH2-SD 4.18Å; F285-M331 HydrophobicContact CD1-SD 4.14Å; F285-M331 HydrophobicContact CE1-CE 3.89Å; F285-M331 HydrophobicContact CE1-CG 4.49Å; F285-M331 HydrophobicContact CE1-SD 3.88Å; P327-M331 WeakPolarHBondContact O-CG 3.41Å; P327-M331 PolarHBondContact O-N 3.29Å; S328-M331 PolarHBondContact O-N 2.83Å; V329-M331 PolarHBondContact O-N 3.48Å; M331-C334 PolarHBondContact O-N 3.33Å; M331-A335 WeakPolarHBondContact O-CB 3.37Å; M331-A335 PolarHBondContact O-N 2.97Å
332	N	98.9	Very high	98.6	Very high	32 Å²	32	31.2 Å²	31.2	17%	0.171	16%	0.162	C	C	.	.	H	α-helix	trans	-66.7	-40.8	177.2	-77.3	-32.7	0	0	0	111.5	Y39 G41 P42 P44 S328 A335 A336	Y39-N332 HydrophobicContact CD1-CB 4.21Å; Y39-N332 PolarHBondContact O-ND2 2.96Å; G41-N332 PolarHBondContact O-ND2 3.49Å; P42-N332 PolarHBondContact O-ND2 3.47Å; P44-N332 WeakPolarHBondContact CB-OD1 3.33Å; P44-N332 VanDerWaalsContact CD-OD1 3.29Å; P44-N332 WeakPolarHBondContact CD-OD1 3.44Å; P44-N332 WeakPolarHBondContact CG-OD1 3.34Å; S328-N332 WeakPolarHBondContact O-CB 3.45Å; S328-N332 PolarHBondContact O-N 3.06Å; S328-N332 PolarHBondContact O-ND2 2.99Å; S328-N332 VanDerWaalsContact O-ND2 3.09Å; N332-A335 PolarHBondContact O-N 3.26Å; N332-A336 WeakPolarHBondContact O-CB 3.41Å; N332-A336 PolarHBondContact O-N 3Å
333	F	98.9	Very high	98.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-61.7	-46.2	172.2	171.2	-99.3	0	0	0	111.2	L32 T34 Y39 L141 T144 P145 V329 A335 A336 F337 V364	L32-F333 HydrophobicContact CD2-CE2 3.96Å; L32-F333 HydrophobicContact CD2-CZ 4.49Å; L32-F333 HydrophobicContact CG-CE2 4.36Å; T34-F333 HydrophobicContact CG2-CE2 3.61Å; T34-F333 HydrophobicContact CG2-CZ 3.94Å; Y39-F333 HydrophobicContact CD1-CB 4.24Å; Y39-F333 HydrophobicContact CD2-CB 3.98Å; Y39-F333 HydrophobicContact CD2-CD2 4.23Å; Y39-F333 HydrophobicContact CE1-CB 4.45Å; Y39-F333 HydrophobicContact CE1-CD2 4.4Å; Y39-F333 HydrophobicContact CE2-CB 4.21Å; Y39-F333 AromaticContact CE2-CD2 3.63Å; Y39-F333 HydrophobicContact CE2-CD2 3.63Å; Y39-F333 HydrophobicContact CE2-CG 4.38Å; Y39-F333 HydrophobicContact CG-CB 4Å; Y39-F333 AromaticContact CZ-CD2 3.72Å; L141-F333 HydrophobicContact CB-CE1 4.46Å; L141-F333 HydrophobicContact CD2-CE1 4.38Å; L141-F333 WeakPolarHBondContact O-CD1 3.35Å; L141-F333 VanDerWaalsContact O-CE1 3.24Å; L141-F333 WeakPolarHBondContact O-CE1 3.34Å; T144-F333 VanDerWaalsContact CB-CE1 3.43Å; T144-F333 HydrophobicContact CG2-CD1 4.5Å; T144-F333 HydrophobicContact CG2-CE1 3.66Å; T144-F333 HydrophobicContact CG2-CE2 4.4Å; T144-F333 HydrophobicContact CG2-CZ 3.58Å; P145-F333 HydrophobicContact CG-CB 3.57Å; P145-F333 HydrophobicContact CG-CD1 3.95Å; P145-F333 HydrophobicContact CG-CD2 4.3Å; P145-F333 HydrophobicContact CG-CG 3.64Å; V329-F333 WeakPolarHBondContact O-CB 3.32Å; V329-F333 PolarHBondContact O-N 3.12Å; F333-A335 VanDerWaalsContact C-N 3.31Å; F333-A335 PolarHBondContact O-N 3.11Å; F333-A336 PolarHBondContact O-N 3.29Å; F333-A336 VanDerWaalsContact O-N 3.16Å; F333-F337 PolarHBondContact O-N 3.05Å; F333-V364 HydrophobicContact CZ-CG2 4.2Å
334	C	98.9	Very high	98.8	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.007	13%	0.125	C	C	.	.	H	α-helix	trans	-60.3	-41.3	177.6	-171.3	0	0	0	0	111.9	L141 L142 L227 C330 M331 F337 L338	L141-C334 HydrophobicContact CB-CB 4.43Å; L142-C334 HydrophobicContact CD1-CB 3.63Å; L227-C334 HydrophobicContact CD2-CB 3.81Å; C330-C334 PolarHBondContact O-N 3.27Å; C330-C334 VanDerWaalsContact O-N 3.11Å; M331-C334 PolarHBondContact O-N 3.33Å; C334-F337 PolarHBondContact O-N 3.13Å; C334-L338 VanDerWaalsContact O-CG 3.3Å; C334-L338 WeakPolarHBondContact O-CG 3.23Å; C334-L338 PolarHBondContact O-N 3.31Å
335	A	98.9	Very high	98.8	Very high	16 Å²	16	18.7 Å²	18.7	13%	0.132	12%	0.117	C	C	.	.	H	α-helix	trans	-62.2	-43.2	174.8	0	0	0	0	0	111.9	L227 H230 M331 N332 F333 L338 S339	L227-A335 HydrophobicContact CD1-CB 4.38Å; L227-A335 HydrophobicContact CD2-CB 4.16Å; L227-A335 HydrophobicContact CG-CB 4.01Å; H230-A335 PolarHBondContact NE2-O 3.5Å; M331-A335 WeakPolarHBondContact O-CB 3.37Å; M331-A335 PolarHBondContact O-N 2.97Å; N332-A335 PolarHBondContact O-N 3.26Å; F333-A335 VanDerWaalsContact C-N 3.31Å; F333-A335 PolarHBondContact O-N 3.11Å; A335-L338 PolarHBondContact O-N 2.98Å; A335-S339 PolarHBondContact O-N 3.35Å; A335-S339 PolarHBondContact O-OG 3Å
336	A	98.9	Very high	98.7	Very high	28 Å²	28	23.3 Å²	23.3	23%	0.231	15%	0.146	C	C	.	.	H	α-helix	trans	-64.3	-40	176.3	0	0	0	0	0	112	L32 Y39 N332 F333 S339 F340	L32-A336 HydrophobicContact CD1-CB 4.35Å; Y39-A336 HydrophobicContact CD1-CB 4.43Å; Y39-A336 HydrophobicContact CE1-CB 3.59Å; N332-A336 WeakPolarHBondContact O-CB 3.41Å; N332-A336 PolarHBondContact O-N 3Å; F333-A336 PolarHBondContact O-N 3.29Å; F333-A336 VanDerWaalsContact O-N 3.16Å; A336-S339 PolarHBondContact O-N 3.23Å; A336-F340 VanDerWaalsContact O-CB 3.28Å; A336-F340 WeakPolarHBondContact O-CB 3.21Å; A336-F340 PolarHBondContact O-N 3.47Å
337	F	98.9	Very high	98.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62.4	-45.9	173.7	177.7	-88.6	0	0	0	111.9	L32 L141 W152 L154 L165 F333 C334 S339 F340 A341 F356 V364	L32-F337 VanDerWaalsContact CD2-CA 3.49Å; L32-F337 HydrophobicContact CD2-CB 3.87Å; L32-F337 HydrophobicContact CD2-CD2 4.15Å; L32-F337 HydrophobicContact CD2-CG 4.5Å; L141-F337 HydrophobicContact CD1-CD1 3.39Å; L141-F337 HydrophobicContact CD1-CE1 3.67Å; L141-F337 HydrophobicContact CD1-CG 4.13Å; L141-F337 HydrophobicContact CD2-CB 4.39Å; L141-F337 HydrophobicContact CD2-CD1 3.68Å; L141-F337 HydrophobicContact CD2-CD2 3.86Å; L141-F337 HydrophobicContact CD2-CE1 3.85Å; L141-F337 HydrophobicContact CD2-CE2 4.02Å; L141-F337 HydrophobicContact CD2-CG 3.68Å; L141-F337 HydrophobicContact CD2-CZ 4.02Å; L141-F337 HydrophobicContact CG-CD1 4.18Å; L141-F337 HydrophobicContact CG-CE1 4.41Å; W152-F337 HydrophobicContact CH2-CD2 4.16Å; W152-F337 AromaticContact CH2-CE2 3.67Å; W152-F337 HydrophobicContact CH2-CE2 3.67Å; W152-F337 HydrophobicContact CH2-CZ 4.34Å; W152-F337 HydrophobicContact CZ3-CE2 4.16Å; W152-F337 HydrophobicContact CZ3-CZ 4.5Å; L154-F337 HydrophobicContact CD1-CE1 4.12Å; L154-F337 HydrophobicContact CD1-CZ 3.85Å; L165-F337 HydrophobicContact CD1-CE1 4.07Å; F333-F337 PolarHBondContact O-N 3.05Å; C334-F337 PolarHBondContact O-N 3.13Å; F337-S339 VanDerWaalsContact C-N 3.33Å; F337-S339 PolarHBondContact O-N 3.39Å; F337-F340 WeakPolarHBondContact O-CB 3.46Å; F337-F340 PolarHBondContact O-N 3.47Å; F337-A341 HydrophobicContact CE1-CB 4.26Å; F337-A341 WeakPolarHBondContact O-CB 3.45Å; F337-A341 PolarHBondContact O-N 2.93Å; F337-F356 HydrophobicContact CE2-CB 4.01Å; F337-F356 AromaticContact CE2-CD1 3.87Å; F337-F356 HydrophobicContact CE2-CD1 3.87Å; F337-F356 AromaticContact CE2-CG 3.97Å; F337-F356 HydrophobicContact CE2-CG 3.97Å; F337-F356 HydrophobicContact CZ-CB 4.13Å; F337-F356 HydrophobicContact CZ-CD1 4.2Å; F337-F356 HydrophobicContact CZ-CD2 4.37Å; F337-F356 AromaticContact CZ-CG 3.96Å; F337-F356 HydrophobicContact CZ-CG 3.96Å; F337-V364 HydrophobicContact CE2-CG1 4.13Å
338	L	98.9	Very high	98.7	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61.3	-42.8	177.5	-68.8	171.5	0	0	0	111.4	T131 L165 L227 H230 L232 C334 A335 A341 Q342	T131-L338 HydrophobicContact CG2-CD2 4.08Å; L165-L338 HydrophobicContact CD1-CD2 4.23Å; L227-L338 HydrophobicContact CB-CD1 4.41Å; L227-L338 HydrophobicContact CD2-CD1 4.11Å; H230-L338 HydrophobicContact CB-CB 4.32Å; H230-L338 HydrophobicContact CB-CD1 3.9Å; L232-L338 HydrophobicContact CD2-CD1 3.96Å; L232-L338 HydrophobicContact CD2-CD2 4.47Å; C334-L338 VanDerWaalsContact O-CG 3.3Å; C334-L338 WeakPolarHBondContact O-CG 3.23Å; C334-L338 PolarHBondContact O-N 3.31Å; A335-L338 PolarHBondContact O-N 2.98Å; L338-A341 PolarHBondContact O-N 2.84Å; L338-Q342 WeakPolarHBondContact O-CB 3.46Å; L338-Q342 WeakPolarHBondContact O-CG 3.37Å; L338-Q342 PolarHBondContact O-N 3.43Å
339	S	98.8	Very high	98.7	Very high	52 Å²	52	29.6 Å²	29.6	36%	0.364	17%	0.174	S	C	.	.	H	α-helix	trans	-60.9	-45.9	173.1	-64.4	0	0	0	0	112.1	H230 A335 A336 F337 Q342 S343	H230-S339 PolarHBondContact CE1-OG 2.72Å; H230-S339 VanDerWaalsContact CE1-OG 3.31Å; H230-S339 PolarHBondContact NE2-N 2.9Å; H230-S339 PolarHBondContact NE2-OG 3.33Å; A335-S339 PolarHBondContact O-N 3.35Å; A335-S339 PolarHBondContact O-OG 3Å; A336-S339 PolarHBondContact O-N 3.23Å; F337-S339 VanDerWaalsContact C-N 3.33Å; F337-S339 PolarHBondContact O-N 3.39Å; S339-Q342 PolarHBondContact O-N 2.85Å; S339-S343 WeakPolarHBondContact O-CB 3.3Å; S339-S343 PolarHBondContact O-N 3.2Å; S339-S343 PolarHBondContact O-OG 3.47Å
340	F	98.8	Very high	98.6	Very high	22 Å²	22	30.7 Å²	30.7	10%	0.096	18%	0.181	C	C	.	.	H	α-helix	trans	-60.3	-48.7	178.3	177.3	-122.6	0	0	0	111.2	A30 L32 A336 F337 S343 T344 F356 V366	A30-F340 HydrophobicContact CB-CE2 3.79Å; A30-F340 HydrophobicContact CB-CZ 4.27Å; L32-F340 HydrophobicContact CB-CD1 3.75Å; L32-F340 HydrophobicContact CB-CE1 3.98Å; L32-F340 HydrophobicContact CB-CG 4.09Å; L32-F340 HydrophobicContact CD2-CB 4.13Å; L32-F340 HydrophobicContact CD2-CD1 4.15Å; L32-F340 HydrophobicContact CD2-CG 4.38Å; A336-F340 VanDerWaalsContact O-CB 3.28Å; A336-F340 WeakPolarHBondContact O-CB 3.21Å; A336-F340 PolarHBondContact O-N 3.47Å; F337-F340 WeakPolarHBondContact O-CB 3.46Å; F337-F340 PolarHBondContact O-N 3.47Å; F340-S343 PolarHBondContact O-N 3.41Å; F340-S343 PolarHBondContact O-OG 2.92Å; F340-T344 VanDerWaalsContact O-CB 3.29Å; F340-T344 WeakPolarHBondContact O-CB 3.34Å; F340-T344 PolarHBondContact O-N 2.83Å; F340-T344 PolarHBondContact O-OG1 3.04Å; F340-F356 HydrophobicContact CD1-CD1 4.04Å; F340-F356 AromaticContact CD1-CE1 3.68Å; F340-F356 HydrophobicContact CD1-CE1 3.68Å; F340-F356 AromaticContact CE1-CD1 3.76Å; F340-F356 HydrophobicContact CE1-CD1 3.76Å; F340-F356 AromaticContact CE1-CE1 3.52Å; F340-F356 HydrophobicContact CE1-CE1 3.52Å; F340-F356 HydrophobicContact CZ-CE1 4.35Å; F340-V366 HydrophobicContact CE1-CG2 3.73Å; F340-V366 HydrophobicContact CZ-CG2 3.64Å
341	A	98.7	Very high	98.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-62	-46.5	177.8	0	0	0	0	0	112.1	L163 F337 L338 S343 T344 V345 F356	L163-A341 HydrophobicContact CD2-CB 4.04Å; F337-A341 HydrophobicContact CE1-CB 4.26Å; F337-A341 WeakPolarHBondContact O-CB 3.45Å; F337-A341 PolarHBondContact O-N 2.93Å; L338-A341 PolarHBondContact O-N 2.84Å; A341-S343 VanDerWaalsContact C-N 3.33Å; A341-S343 PolarHBondContact O-N 3.1Å; A341-T344 PolarHBondContact O-N 2.92Å; A341-T344 VanDerWaalsContact O-N 3.15Å; A341-V345 WeakPolarHBondContact O-CG2 3.36Å; A341-V345 PolarHBondContact O-N 2.84Å; A341-F356 HydrophobicContact CB-CE1 4.23Å; A341-F356 HydrophobicContact CB-CE2 4.18Å; A341-F356 HydrophobicContact CB-CZ 3.79Å
342	Q	98.4	Very high	98.6	Very high	41 Å²	41	37.9 Å²	37.9	19%	0.192	21%	0.209	C	C	.	.	H	α-helix	trans	-58.6	-43.1	176.7	-74	-76	3	0	0	112.1	T131 R158 L163 L338 S339 T344	T131-Q342 PolarHBondContact OG1-NE2 2.97Å; R158-Q342 VanDerWaalsContact CZ-OE1 3.3Å; R158-Q342 PolarHBondContact NH2-O 3.03Å; L163-Q342 HydrophobicContact CD2-CG 3.93Å; L338-Q342 WeakPolarHBondContact O-CB 3.46Å; L338-Q342 WeakPolarHBondContact O-CG 3.37Å; L338-Q342 PolarHBondContact O-N 3.43Å; S339-Q342 PolarHBondContact O-N 2.85Å; Q342-T344 VanDerWaalsContact C-N 3.33Å
343	S	98.3	Very high	98.6	Very high	81 Å²	81	36.4 Å²	36.4	57%	0.566	20%	0.201	S	C	*	.	H	α-helix	trans	-72.3	-24.5	177.6	68.6	0	0	0	0	114.2	S339 F340 A341 V346	S339-S343 WeakPolarHBondContact O-CB 3.3Å; S339-S343 PolarHBondContact O-N 3.2Å; S339-S343 PolarHBondContact O-OG 3.47Å; F340-S343 PolarHBondContact O-N 3.41Å; F340-S343 PolarHBondContact O-OG 2.92Å; A341-S343 VanDerWaalsContact C-N 3.33Å; A341-S343 PolarHBondContact O-N 3.1Å; S343-V346 WeakPolarHBondContact O-CG2 3.33Å
344	T	98.4	Very high	98.6	Very high	29 Å²	29	37 Å²	37	18%	0.178	20%	0.204	C	C	.	.	H	α-helix	trans	-85.2	-44.1	-177.9	-61.1	0	0	0	0	111.1	F340 A341 Q342 V346 F356 V366	F340-T344 VanDerWaalsContact O-CB 3.29Å; F340-T344 WeakPolarHBondContact O-CB 3.34Å; F340-T344 PolarHBondContact O-N 2.83Å; F340-T344 PolarHBondContact O-OG1 3.04Å; A341-T344 PolarHBondContact O-N 2.92Å; A341-T344 VanDerWaalsContact O-N 3.15Å; Q342-T344 VanDerWaalsContact C-N 3.33Å; T344-V346 VanDerWaalsContact C-N 3.34Å; T344-V346 PolarHBondContact O-N 2.98Å; T344-F356 HydrophobicContact CG2-CE1 4.36Å; T344-F356 HydrophobicContact CG2-CZ 4.01Å; T344-V366 HydrophobicContact CG2-CG1 3.94Å; T344-V366 HydrophobicContact CG2-CG2 4.27Å
345	V	98.3	Very high	98.6	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.006	20%	0.204	C	C	.	.			trans	-85.9	76.9	-178.5	-168.3	0	0	0	0	109.5	A156 R158 L163 A341 H354 F356	A156-V345 HydrophobicContact CB-CG2 3.91Å; R158-V345 HydrophobicContact CB-CG1 3.77Å; R158-V345 PolarHBondContact NE-O 2.95Å; R158-V345 PolarHBondContact NH2-O 2.85Å; L163-V345 HydrophobicContact CD1-CB 4Å; L163-V345 HydrophobicContact CD1-CG1 4.18Å; L163-V345 HydrophobicContact CD1-CG2 4.04Å; A341-V345 WeakPolarHBondContact O-CG2 3.36Å; A341-V345 PolarHBondContact O-N 2.84Å; V345-H354 HydrophobicContact CG2-CB 3.81Å; V345-F356 HydrophobicContact CG2-CE2 4.2Å; V345-F356 HydrophobicContact CG2-CZ 4.28Å
346	V	97.9	Very high	98.6	Very high	102 Å²	102	36.3 Å²	36.3	62%	0.618	20%	0.198	S	C	*	.			trans	-80.2	-41.5	-176.9	179.8	0	0	0	0	111.7	S343 T344	S343-V346 WeakPolarHBondContact O-CG2 3.33Å; T344-V346 VanDerWaalsContact C-N 3.34Å; T344-V346 PolarHBondContact O-N 2.98Å
347	Q	98.3	Very high	98.6	Very high	100 Å²	100	36.1 Å²	36.1	47%	0.467	20%	0.195	S	C	.	.	S	Bend	trans	-75.3	130.3	-176.2	-58.1	78.3	13.5	0	0	110.8	D349 L352	Q347-D349 PolarHBondContact O-N 2.96Å; Q347-L352 HydrophobicContact CB-CD2 3.73Å; Q347-L352 HydrophobicContact CG-CD2 4.16Å
348	D	98.5	Very high	98.6	Very high	83 Å²	83	36.4 Å²	36.4	44%	0.444	20%	0.196	S	C	.	.	B	Isolated β-bridge	trans	-84.9	97.7	170.4	-158.5	-60.1	0	0	0	109	R158 F159 Q160 G161	R158-D348 HydrophobicContact CG-CB 4.49Å; F159-D348 VanDerWaalsContact CA-OD1 3.26Å; F159-D348 WeakPolarHBondContact CA-OD1 3.31Å; Q160-D348 PolarHBondContact N-OD1 2.93Å; Q160-D348 PolarHBondContact N-OD2 3.38Å; Q160-D348 VanDerWaalsContact N-OD2 3.12Å; G161-D348 PolarHBondContact N-OD2 3.33Å
349	D	98.5	Very high	98.6	Very high	33 Å²	33	41.2 Å²	41.2	18%	0.176	22%	0.218	C	C	.	.			trans	-158.6	110.4	-174.7	-175.5	-19	0	0	0	109.5	R158 Q347 R351 L352 R370	R158-D349 CarbonylContact O-C 3.52Å; R158-D349 PolarHBondContact O-N 2.92Å; Q347-D349 PolarHBondContact O-N 2.96Å; D349-R351 PolarHBondContact O-N 3.46Å; D349-R351 VanDerWaalsContact O-N 3.12Å; D349-R351 WeakPolarHBondContact OD1-CA 3.45Å; D349-R351 VanDerWaalsContact OD1-CB 3.31Å; D349-R351 WeakPolarHBondContact OD1-CB 3.23Å; D349-R351 PolarHBondContact OD1-N 3.04Å; D349-L352 HydrophobicContact CB-CB 3.81Å; D349-L352 PolarHBondContact O-N 3.12Å; D349-L352 VanDerWaalsContact O-N 3.12Å; D349-L352 PolarHBondContact OD1-N 3.06Å; D349-R370 IonicContact OD1-NH1 3.76Å; D349-R370 IonicContact OD2-CZ 3.75Å; D349-R370 IonicContact OD2-NH1 2.63Å; D349-R370 PolarHBondContact OD2-NH1 3.46Å; D349-R370 IonicContact OD2-NH2 3.9Å; D349-R370 PolarHBondContact OD2-NH2 2.86Å
350	P	98.4	Very high	98.5	Very high	23 Å²	23	40.9 Å²	40.9	15%	0.149	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-13.4	-177.1	27.8	-33.5	0	0	0	113.3	F159 L377 V382	F159-P350 HydrophobicContact CB-CB 4.1Å; F159-P350 HydrophobicContact CD2-CB 3.89Å; F159-P350 HydrophobicContact CD2-CG 3.76Å; F159-P350 HydrophobicContact CE2-CG 4.1Å; F159-P350 HydrophobicContact CG-CB 3.98Å; F159-P350 HydrophobicContact CG-CG 4.37Å; P350-L377 HydrophobicContact CB-CB 4.23Å; P350-L377 HydrophobicContact CB-CD1 3.72Å; P350-V382 HydrophobicContact CB-CG1 4.43Å; P350-V382 HydrophobicContact CB-CG2 3.76Å; P350-V382 HydrophobicContact CG-CG1 3.86Å; P350-V382 HydrophobicContact CG-CG2 4.11Å
351	R	98.6	Very high	98.4	Very high	136 Å²	136	43.6 Å²	43.6	51%	0.513	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-18.1	177.6	-61.1	171.7	60.1	179.4	-1.6	112.6	D349 R370 D371	D349-R351 PolarHBondContact O-N 3.46Å; D349-R351 VanDerWaalsContact O-N 3.12Å; D349-R351 WeakPolarHBondContact OD1-CA 3.45Å; D349-R351 VanDerWaalsContact OD1-CB 3.31Å; D349-R351 WeakPolarHBondContact OD1-CB 3.23Å; D349-R351 PolarHBondContact OD1-N 3.04Å; R351-R370 WeakPolarHBondContact O-CA 3.48Å; R351-D371 WeakPolarHBondContact CB-OD1 3.46Å; R351-D371 IonicContact CZ-OD1 3.72Å; R351-D371 VanDerWaalsContact CZ-OD1 3.28Å; R351-D371 IonicContact CZ-OD2 2.71Å; R351-D371 IonicContact NE-OD1 2.56Å; R351-D371 PolarHBondContact NE-OD1 2.94Å; R351-D371 IonicContact NE-OD2 3.76Å; R351-D371 VanDerWaalsContact NH2-CG 3.26Å; R351-D371 IonicContact NH2-OD1 3.29Å; R351-D371 PolarHBondContact NH2-OD1 3.14Å; R351-D371 IonicContact NH2-OD2 3.94Å; R351-D371 PolarHBondContact NH2-OD2 3.05Å; R351-D371 PolarHBondContact O-N 2.89Å
352	L	98.7	Very high	98.4	Very high	16 Å²	16	44.6 Å²	44.6	8%	0.084	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	135.5	179	-173.4	71.9	0	0	0	110.2	S157 Q347 D349 V368 H369	S157-L352 WeakPolarHBondContact CB-O 3.42Å; S157-L352 PolarHBondContact OG-O 3.37Å; Q347-L352 HydrophobicContact CB-CD2 3.73Å; Q347-L352 HydrophobicContact CG-CD2 4.16Å; D349-L352 HydrophobicContact CB-CB 3.81Å; D349-L352 PolarHBondContact O-N 3.12Å; D349-L352 VanDerWaalsContact O-N 3.12Å; D349-L352 PolarHBondContact OD1-N 3.06Å; L352-V368 HydrophobicContact CD1-CG1 3.68Å; L352-V368 HydrophobicContact CG-CG1 4.41Å; L352-H369 WeakPolarHBondContact CD1-O 3.41Å
353	V	98.9	Very high	98.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	126.8	179.5	-179.8	0	0	0	0	110.5	A155 A156 V368 H369 A375	A155-V353 HydrophobicContact CB-CG1 3.59Å; A156-V353 WeakPolarHBondContact O-CA 3.27Å; V353-V368 WeakPolarHBondContact O-CA 3.45Å; V353-H369 HydrophobicContact CB-CB 4.46Å; V353-H369 PolarHBondContact N-O 3.43Å; V353-H369 PolarHBondContact O-N 2.8Å; V353-A375 HydrophobicContact CG2-CB 4.31Å
354	H	98.8	Very high	98.4	Very high	13 Å²	13	41.2 Å²	41.2	6%	0.06	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	114	160.9	-67.4	74.3	0	0	0	108	A156 V345 F356 V366 S367	A156-H354 PolarHBondContact N-O 2.74Å; A156-H354 PolarHBondContact O-N 2.73Å; V345-H354 HydrophobicContact CG2-CB 3.81Å; H354-F356 HydrophobicContact CB-CE2 3.9Å; H354-F356 HydrophobicContact CB-CZ 4.33Å; H354-F356 WeakPolarHBondContact O-CD2 3.21Å; H354-V366 HydrophobicContact CB-CG1 4.1Å; H354-S367 CarbonylContact C-O 3.53Å; H354-S367 WeakPolarHBondContact CA-O 3.45Å
355	L	98.8	Very high	98.4	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.016	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	107.1	-179.9	-173.9	67.8	0	0	0	109.4	Q153 A155 V168 V366 S367 Y374	Q153-L355 HydrophobicContact CB-CD1 4.09Å; A155-L355 HydrophobicContact CB-CD1 4.17Å; V168-L355 HydrophobicContact CB-CD1 4.23Å; V168-L355 HydrophobicContact CG2-CD1 3.8Å; L355-V366 WeakPolarHBondContact O-CA 3.26Å; L355-S367 PolarHBondContact N-O 3.46Å; L355-S367 PolarHBondContact O-N 2.75Å; L355-Y374 HydrophobicContact CD1-CD1 4.45Å; L355-Y374 HydrophobicContact CD2-CD1 4.16Å; L355-Y374 HydrophobicContact CD2-CE1 3.74Å
356	F	98.9	Very high	98.5	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	119	173.9	-63.5	-93.6	0	0	0	108.7	W152 Q153 L154 A156 F337 F340 A341 T344 V345 H354 V364 T365 V366	W152-F356 HydrophobicContact CZ3-CB 4.13Å; Q153-F356 CarbonylContact C-O 3.6Å; Q153-F356 VanDerWaalsContact CA-O 3.26Å; Q153-F356 WeakPolarHBondContact CA-O 3.09Å; L154-F356 HydrophobicContact CB-CB 4.43Å; L154-F356 PolarHBondContact N-O 3.15Å; L154-F356 PolarHBondContact O-N 2.65Å; A156-F356 HydrophobicContact CB-CD2 4.02Å; A156-F356 HydrophobicContact CB-CE2 3.58Å; F337-F356 HydrophobicContact CE2-CB 4.01Å; F337-F356 AromaticContact CE2-CD1 3.87Å; F337-F356 HydrophobicContact CE2-CD1 3.87Å; F337-F356 AromaticContact CE2-CG 3.97Å; F337-F356 HydrophobicContact CE2-CG 3.97Å; F337-F356 HydrophobicContact CZ-CB 4.13Å; F337-F356 HydrophobicContact CZ-CD1 4.2Å; F337-F356 HydrophobicContact CZ-CD2 4.37Å; F337-F356 AromaticContact CZ-CG 3.96Å; F337-F356 HydrophobicContact CZ-CG 3.96Å; F340-F356 HydrophobicContact CD1-CD1 4.04Å; F340-F356 AromaticContact CD1-CE1 3.68Å; F340-F356 HydrophobicContact CD1-CE1 3.68Å; F340-F356 AromaticContact CE1-CD1 3.76Å; F340-F356 HydrophobicContact CE1-CD1 3.76Å; F340-F356 AromaticContact CE1-CE1 3.52Å; F340-F356 HydrophobicContact CE1-CE1 3.52Å; F340-F356 HydrophobicContact CZ-CE1 4.35Å; A341-F356 HydrophobicContact CB-CE1 4.23Å; A341-F356 HydrophobicContact CB-CE2 4.18Å; A341-F356 HydrophobicContact CB-CZ 3.79Å; T344-F356 HydrophobicContact CG2-CE1 4.36Å; T344-F356 HydrophobicContact CG2-CZ 4.01Å; V345-F356 HydrophobicContact CG2-CE2 4.2Å; V345-F356 HydrophobicContact CG2-CZ 4.28Å; H354-F356 HydrophobicContact CB-CE2 3.9Å; H354-F356 HydrophobicContact CB-CZ 4.33Å; H354-F356 WeakPolarHBondContact O-CD2 3.21Å; F356-V364 HydrophobicContact CB-CG1 3.95Å; F356-V364 HydrophobicContact CD1-CG1 4.06Å; F356-T365 CarbonylContact C-O 3.5Å; F356-T365 WeakPolarHBondContact CA-O 3.16Å; F356-V366 HydrophobicContact CD1-CG2 3.71Å; F356-V366 HydrophobicContact CE1-CG2 3.6Å; F356-V366 HydrophobicContact CZ-CG2 4.37Å
357	S	98.8	Very high	98.5	Very high	23 Å²	23	41.2 Å²	41.2	16%	0.161	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	135.3	-179	-55.5	0	0	0	0	110.3	Q153 V364 T365	Q153-S357 PolarHBondContact NE2-OG 2.97Å; S357-V364 WeakPolarHBondContact O-CA 3.13Å; S357-T365 PolarHBondContact N-O 3.43Å; S357-T365 PolarHBondContact O-N 3.11Å; S357-T365 PolarHBondContact O-OG1 3.16Å
358	W	98.8	Very high	98.5	Very high	6 Å²	6	40.5 Å²	40.5	2%	0.023	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	140.1	179	177.8	79.1	0	0	0	111.2	T34 T144 E147 E150 G151 W152 P360 G362 V364	T34-W358 VanDerWaalsContact CG2-NE1 3.29Å; T34-W358 PolarHBondContact OG1-NE1 3.45Å; T144-W358 HydrophobicContact CG2-CD2 3.73Å; T144-W358 VanDerWaalsContact CG2-CE2 3.48Å; T144-W358 HydrophobicContact CG2-CE3 4.15Å; T144-W358 HydrophobicContact CG2-CG 4.23Å; T144-W358 HydrophobicContact CG2-CH2 4.1Å; T144-W358 HydrophobicContact CG2-CZ2 3.68Å; T144-W358 HydrophobicContact CG2-CZ3 4.31Å; T144-W358 WeakPolarHBondContact O-CZ2 3.49Å; E147-W358 HydrophobicContact CB-CH2 3.84Å; E147-W358 HydrophobicContact CB-CZ3 4.19Å; E147-W358 HydrophobicContact CG-CH2 4.16Å; E147-W358 HydrophobicContact CG-CZ3 4.12Å; E150-W358 WeakPolarHBondContact O-CZ3 3.38Å; G151-W358 CarbonylContact C-O 3.37Å; G151-W358 WeakPolarHBondContact CA-O 3.16Å; W152-W358 AromaticContact CD1-CE3 3.44Å; W152-W358 VanDerWaalsContact CD1-CE3 3.44Å; W152-W358 AromaticContact CD1-CZ3 3.96Å; W152-W358 HydrophobicContact CD2-CB 4.03Å; W152-W358 AromaticContact CE2-CE3 3.97Å; W152-W358 HydrophobicContact CE3-CB 4.3Å; W152-W358 HydrophobicContact CG-CE3 4.26Å; W152-W358 HydrophobicContact CH2-CB 3.96Å; W152-W358 HydrophobicContact CZ2-CB 3.65Å; W152-W358 HydrophobicContact CZ2-CD2 4.5Å; W152-W358 HydrophobicContact CZ2-CG 4.07Å; W152-W358 HydrophobicContact CZ3-CB 4.27Å; W152-W358 PolarHBondContact N-O 3.43Å; W152-W358 AromaticContact NE1-CD2 3.81Å; W152-W358 AromaticContact NE1-CE3 3.23Å; W152-W358 AromaticContact NE1-CZ3 3.9Å; W152-W358 PolarHBondContact O-N 3.5Å; W358-P360 HydrophobicContact CH2-CB 4.36Å; W358-P360 HydrophobicContact CH2-CG 3.95Å; W358-P360 HydrophobicContact CZ3-CG 4.22Å; W358-G362 PolarHBondContact NE1-O 2.94Å; W358-V364 HydrophobicContact CB-CG2 4.16Å; W358-V364 HydrophobicContact CG-CG2 4.26Å
359	E	98.6	Very high	98.5	Very high	101 Å²	101	39.1 Å²	39.1	47%	0.472	24%	0.235	S	C	.	.			trans	-131.3	149.2	171.5	-71.6	-63	155.2	0	0	109.4	G151 G361 G362	G151-E359 WeakPolarHBondContact CA-OE2 3.15Å; E359-G361 PolarHBondContact O-N 2.96Å; E359-G362 PolarHBondContact O-N 3.42Å
360	P	98.4	Very high	98.5	Very high	45 Å²	45	43.3 Å²	43.3	29%	0.292	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	130	178.1	-31.4	37.3	0	0	0	114.2	W358 G362	W358-P360 HydrophobicContact CH2-CB 4.36Å; W358-P360 HydrophobicContact CH2-CG 3.95Å; W358-P360 HydrophobicContact CZ3-CG 4.22Å; P360-G362 VanDerWaalsContact C-N 3.31Å; P360-G362 PolarHBondContact O-N 3.36Å
361	G	96.8	Very high	98.4	Very high	79 Å²	79	45 Å²	45	81%	0.814	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.6	-6.6	179.9	0	0	0	0	0	115.2	E359	E359-G361 PolarHBondContact O-N 2.96Å
362	G	97.5	Very high	98.3	Very high	22 Å²	22	42.8 Å²	42.8	23%	0.227	27%	0.267	C	S	.	.	S	Bend	trans	-108.4	167.2	174.2	0	0	0	0	0	113.7	T34 W358 E359 P360	T34-G362 PolarHBondContact OG1-O 3.16Å; W358-G362 PolarHBondContact NE1-O 2.94Å; E359-G362 PolarHBondContact O-N 3.42Å; P360-G362 VanDerWaalsContact C-N 3.31Å; P360-G362 PolarHBondContact O-N 3.36Å
363	P	98.6	Very high	98.2	Very high	51 Å²	51	46 Å²	46	33%	0.331	29%	0.289	S	S	.	.			trans	-76.1	162.4	168.4	34.7	-35.4	0	0	0	110.9	L32 T365	L32-P363 CarbonylContact O-C 3.59Å; L32-P363 WeakPolarHBondContact O-CA 3.36Å; L32-P363 WeakPolarHBondContact O-CB 3.28Å; P363-T365 HydrophobicContact CG-CG2 4.44Å; P363-T365 PolarHBondContact O-N 2.88Å
364	V	98.8	Very high	98.1	Very high	0 Å²	0	49 Å²	49	0%	0	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-67.2	129.1	163.7	-172.3	0	0	0	0	108.5	S31 L32 T34 W152 F333 F337 F356 S357 W358	S31-V364 CarbonylContact C-O 3.58Å; S31-V364 WeakPolarHBondContact CA-O 3.37Å; S31-V364 VanDerWaalsContact CB-O 3.28Å; S31-V364 WeakPolarHBondContact CB-O 3.38Å; L32-V364 HydrophobicContact CB-CB 4.12Å; L32-V364 HydrophobicContact CB-CG2 4.38Å; L32-V364 PolarHBondContact N-O 2.63Å; L32-V364 PolarHBondContact O-N 3.28Å; T34-V364 HydrophobicContact CG2-CG2 3.92Å; W152-V364 HydrophobicContact CH2-CG1 3.96Å; W152-V364 HydrophobicContact CH2-CG2 3.94Å; W152-V364 HydrophobicContact CZ2-CG2 4.16Å; W152-V364 HydrophobicContact CZ3-CG1 4.43Å; F333-V364 HydrophobicContact CZ-CG2 4.2Å; F337-V364 HydrophobicContact CE2-CG1 4.13Å; F356-V364 HydrophobicContact CB-CG1 3.95Å; F356-V364 HydrophobicContact CD1-CG1 4.06Å; S357-V364 WeakPolarHBondContact O-CA 3.13Å; W358-V364 HydrophobicContact CB-CG2 4.16Å; W358-V364 HydrophobicContact CG-CG2 4.26Å
365	T	98.6	Very high	98.1	Very high	69 Å²	69	49.7 Å²	49.7	42%	0.423	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	161.3	177.8	59	0	0	0	0	110.8	F356 S357 P363	F356-T365 CarbonylContact C-O 3.5Å; F356-T365 WeakPolarHBondContact CA-O 3.16Å; S357-T365 PolarHBondContact N-O 3.43Å; S357-T365 PolarHBondContact O-N 3.11Å; S357-T365 PolarHBondContact O-OG1 3.16Å; P363-T365 HydrophobicContact CG-CG2 4.44Å; P363-T365 PolarHBondContact O-N 2.88Å
366	V	98.6	Very high	98.1	Very high	18 Å²	18	49.9 Å²	49.9	11%	0.109	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	137.6	-176.1	-172.9	0	0	0	0	110.5	L29 F340 T344 H354 L355 F356	L29-V366 WeakPolarHBondContact CD2-O 3.46Å; F340-V366 HydrophobicContact CE1-CG2 3.73Å; F340-V366 HydrophobicContact CZ-CG2 3.64Å; T344-V366 HydrophobicContact CG2-CG1 3.94Å; T344-V366 HydrophobicContact CG2-CG2 4.27Å; H354-V366 HydrophobicContact CB-CG1 4.1Å; L355-V366 WeakPolarHBondContact O-CA 3.26Å; F356-V366 HydrophobicContact CD1-CG2 3.71Å; F356-V366 HydrophobicContact CE1-CG2 3.6Å; F356-V366 HydrophobicContact CZ-CG2 4.37Å
367	S	98.4	Very high	98.1	Very high	44 Å²	44	50.7 Å²	50.7	31%	0.308	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	153	164.9	56.8	0	0	0	0	109.9	H354 L355 H369	H354-S367 CarbonylContact C-O 3.53Å; H354-S367 WeakPolarHBondContact CA-O 3.45Å; L355-S367 PolarHBondContact N-O 3.46Å; L355-S367 PolarHBondContact O-N 2.75Å; S367-H369 PolarHBondContact OG-NE2 3.44Å
368	V	98.4	Very high	98.1	Very high	86 Å²	86	50.8 Å²	50.8	52%	0.521	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	131	-176.5	-174.6	0	0	0	0	109.5	L352 V353	L352-V368 HydrophobicContact CD1-CG1 3.68Å; L352-V368 HydrophobicContact CG-CG1 4.41Å; V353-V368 WeakPolarHBondContact O-CA 3.45Å
369	H	98.5	Very high	98.1	Very high	54 Å²	54	55 Å²	55	25%	0.25	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	165.2	-178.7	-55	-90	0	0	0	109.8	L352 V353 S367 Y374	L352-H369 WeakPolarHBondContact CD1-O 3.41Å; V353-H369 HydrophobicContact CB-CB 4.46Å; V353-H369 PolarHBondContact N-O 3.43Å; V353-H369 PolarHBondContact O-N 2.8Å; S367-H369 PolarHBondContact OG-NE2 3.44Å; H369-Y374 HydrophobicContact CB-CD2 3.59Å; H369-Y374 HydrophobicContact CB-CE2 4.29Å; H369-Y374 HydrophobicContact CB-CG 4.26Å; H369-Y374 AromaticContact CE1-CE2 3.63Å; H369-Y374 AromaticContact CG-CD2 3.43Å; H369-Y374 VanDerWaalsContact CG-CD2 3.43Å; H369-Y374 AromaticContact CG-CE2 3.67Å; H369-Y374 AromaticContact ND1-CD2 3.57Å; H369-Y374 AromaticContact ND1-CE2 3.33Å; H369-Y374 VanDerWaalsContact ND1-CE2 3.33Å; H369-Y374 WeakPolarHBondContact ND1-CE2 3.45Å
370	R	98.2	Very high	98	Very high	120 Å²	120	55.1 Å²	55.1	45%	0.453	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	143.5	176.3	-177.8	175.2	-76.8	-79.8	-0.2	109.1	D349 R351	D349-R370 IonicContact OD1-NH1 3.76Å; D349-R370 IonicContact OD2-CZ 3.75Å; D349-R370 IonicContact OD2-NH1 2.63Å; D349-R370 PolarHBondContact OD2-NH1 3.46Å; D349-R370 IonicContact OD2-NH2 3.9Å; D349-R370 PolarHBondContact OD2-NH2 2.86Å; R351-R370 WeakPolarHBondContact O-CA 3.48Å
371	D	97.8	Very high	98	Very high	58 Å²	58	53 Å²	53	31%	0.31	32%	0.322	S	S	.	.	S	Bend	trans	57.3	-152.3	179.4	-56.7	-42.8	0	0	0	112.8	R351 Y374 A375	R351-D371 WeakPolarHBondContact CB-OD1 3.46Å; R351-D371 IonicContact CZ-OD1 3.72Å; R351-D371 VanDerWaalsContact CZ-OD1 3.28Å; R351-D371 IonicContact CZ-OD2 2.71Å; R351-D371 IonicContact NE-OD1 2.56Å; R351-D371 PolarHBondContact NE-OD1 2.94Å; R351-D371 IonicContact NE-OD2 3.76Å; R351-D371 VanDerWaalsContact NH2-CG 3.26Å; R351-D371 IonicContact NH2-OD1 3.29Å; R351-D371 PolarHBondContact NH2-OD1 3.14Å; R351-D371 IonicContact NH2-OD2 3.94Å; R351-D371 PolarHBondContact NH2-OD2 3.05Å; R351-D371 PolarHBondContact O-N 2.89Å; D371-Y374 PolarHBondContact O-N 3.22Å; D371-A375 VanDerWaalsContact O-CB 3.28Å; D371-A375 WeakPolarHBondContact O-CB 3.47Å; D371-A375 PolarHBondContact O-N 3.36Å
372	A	94.9	Very high	98.1	Very high	90 Å²	90	50.6 Å²	50.6	74%	0.744	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	144.9	-179.4	0	0	0	0	0	112
373	P	96.6	Very high	98.1	Very high	84 Å²	84	54.8 Å²	54.8	55%	0.545	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	cis	-89.6	-7.4	3.5	34.9	-35.8	0	0	0	114.5	R105	R105-P373 PolarHBondContact NH1-O 3.35Å; R105-P373 PolarHBondContact NH2-O 2.78Å; R105-P373 VanDerWaalsContact NH2-O 3.09Å
374	Y	98.3	Very high	98.1	Very high	64 Å²	64	53.3 Å²	53.3	25%	0.251	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-31.9	-165.2	-61	-70.7	0	0	0	114.4	R105 V168 L355 H369 D371 F376	R105-Y374 PolarHBondContact NH1-O 2.99Å; V168-Y374 HydrophobicContact CG1-CD1 4.42Å; V168-Y374 HydrophobicContact CG1-CE1 4.28Å; V168-Y374 HydrophobicContact CG2-CD1 4.44Å; L355-Y374 HydrophobicContact CD1-CD1 4.45Å; L355-Y374 HydrophobicContact CD2-CD1 4.16Å; L355-Y374 HydrophobicContact CD2-CE1 3.74Å; H369-Y374 HydrophobicContact CB-CD2 3.59Å; H369-Y374 HydrophobicContact CB-CE2 4.29Å; H369-Y374 HydrophobicContact CB-CG 4.26Å; H369-Y374 AromaticContact CE1-CE2 3.63Å; H369-Y374 AromaticContact CG-CD2 3.43Å; H369-Y374 VanDerWaalsContact CG-CD2 3.43Å; H369-Y374 AromaticContact CG-CE2 3.67Å; H369-Y374 AromaticContact ND1-CD2 3.57Å; H369-Y374 AromaticContact ND1-CE2 3.33Å; H369-Y374 VanDerWaalsContact ND1-CE2 3.33Å; H369-Y374 WeakPolarHBondContact ND1-CE2 3.45Å; D371-Y374 PolarHBondContact O-N 3.22Å; Y374-F376 PolarHBondContact O-N 2.93Å
375	A	98.4	Very high	97.9	Very high	27 Å²	27	54 Å²	54	22%	0.223	30%	0.301	C	S	.	.			trans	-55.8	129	175.3	0	0	0	0	0	109.3	R105 V353 D371	R105-A375 PolarHBondContact NH1-O 3.1Å; V353-A375 HydrophobicContact CG2-CB 4.31Å; D371-A375 VanDerWaalsContact O-CB 3.28Å; D371-A375 WeakPolarHBondContact O-CB 3.47Å; D371-A375 PolarHBondContact O-N 3.36Å
376	F	98.7	Very high	97.7	Very high	7 Å²	7	54 Å²	54	3%	0.031	30%	0.301	C	S	.	.			trans	-129.7	-8.2	-167.8	65.5	-94.7	0	0	0	113.9	R105 L106 A155 Y374 P378	R105-F376 VanDerWaalsContact CD-CB 3.48Å; L106-F376 HydrophobicContact CD1-CD2 4.17Å; L106-F376 HydrophobicContact CD1-CE2 3.72Å; L106-F376 HydrophobicContact CG-CD2 4.43Å; L106-F376 HydrophobicContact CG-CE2 4.43Å; A155-F376 HydrophobicContact CB-CD1 3.8Å; A155-F376 HydrophobicContact CB-CE1 3.82Å; Y374-F376 PolarHBondContact O-N 2.93Å; F376-P378 VanDerWaalsContact O-CD 3.31Å; F376-P378 WeakPolarHBondContact O-CD 3.22Å
377	L	98.7	Very high	97.1	Very high	16 Å²	16	60.5 Å²	60.5	8%	0.084	33%	0.33	C	S	.	.	S	Bend	trans	-79.7	113.6	171.3	-66.5	179.2	0	0	0	108.2	L110 F159 Y164 P350 Y381 V382	L110-L377 HydrophobicContact CD1-CD2 3.83Å; L110-L377 HydrophobicContact CD2-CD2 4.22Å; F159-L377 HydrophobicContact CB-CD1 3.67Å; F159-L377 HydrophobicContact CD1-CD1 4.28Å; F159-L377 HydrophobicContact CG-CD1 4.22Å; Y164-L377 HydrophobicContact CD1-CD2 3.94Å; Y164-L377 HydrophobicContact CD2-CD1 4Å; Y164-L377 HydrophobicContact CD2-CD2 4.21Å; Y164-L377 HydrophobicContact CE1-CD2 4.37Å; Y164-L377 HydrophobicContact CE2-CD1 4.33Å; Y164-L377 HydrophobicContact CG-CD1 4.43Å; Y164-L377 HydrophobicContact CG-CD2 3.87Å; P350-L377 HydrophobicContact CB-CB 4.23Å; P350-L377 HydrophobicContact CB-CD1 3.72Å; L377-Y381 HydrophobicContact CD2-CD1 4.47Å; L377-V382 HydrophobicContact CB-CG2 3.98Å
378	P	98.4	Very high	95.8	Very high	25 Å²	25	61.9 Å²	61.9	16%	0.162	33%	0.334	C	S	.	.			trans	-75.1	151.4	-174.6	31.5	-35.2	0	0	0	111.2	L110 F376 W380 Y381 V382	L110-P378 HydrophobicContact CD1-CG 4.2Å; F376-P378 VanDerWaalsContact O-CD 3.31Å; F376-P378 WeakPolarHBondContact O-CD 3.22Å; P378-W380 VanDerWaalsContact C-N 3.27Å; P378-W380 HydrophobicContact CB-CG 4.36Å; P378-W380 VanDerWaalsContact CB-NE1 3.34Å; P378-W380 HydrophobicContact CG-CD2 4.06Å; P378-W380 HydrophobicContact CG-CG 4.37Å; P378-W380 HydrophobicContact CG-CH2 4.38Å; P378-W380 HydrophobicContact CG-CZ2 3.49Å; P378-W380 VanDerWaalsContact CG-CZ2 3.49Å; P378-W380 PolarHBondContact O-N 3.32Å; P378-Y381 WeakPolarHBondContact O-CB 3.42Å; P378-Y381 PolarHBondContact O-N 2.95Å; P378-V382 PolarHBondContact O-N 3.03Å; P378-V382 VanDerWaalsContact O-N 3.13Å
379	T	98.1	Very high	94	Very high	94 Å²	94	62.5 Å²	62.5	58%	0.577	33%	0.334	S	S	*	.	H	α-helix	trans	-54.2	-41.5	-177.3	-53.5	0	0	0	0	112.8	Y381 V382 E383	T379-Y381 PolarHBondContact O-N 3.31Å; T379-V382 PolarHBondContact O-N 3.38Å; T379-E383 VanDerWaalsContact CG2-CD 3.42Å; T379-E383 HydrophobicContact CG2-CG 3.89Å; T379-E383 WeakPolarHBondContact CG2-OE1 3.49Å; T379-E383 WeakPolarHBondContact O-CB 3.44Å; T379-E383 WeakPolarHBondContact O-CG 3.29Å; T379-E383 PolarHBondContact O-N 3.09Å
380	W	98.3	Very high	92	Very high	104 Å²	104	65 Å²	65	39%	0.394	36%	0.355	S	S	.	.	H	α-helix	trans	-59.6	-33.2	179.2	63.9	-104.8	0	0	0	112.9	D107 L110 R111 L114 P378 A384	D107-W380 HydrophobicContact CB-CZ2 4.48Å; L110-W380 HydrophobicContact CB-CH2 3.65Å; L110-W380 HydrophobicContact CB-CZ2 4.28Å; R111-W380 HydrophobicContact CB-CH2 4.1Å; L114-W380 HydrophobicContact CB-CZ3 4.45Å; L114-W380 HydrophobicContact CD2-CE3 3.9Å; L114-W380 HydrophobicContact CD2-CZ3 3.79Å; P378-W380 VanDerWaalsContact C-N 3.27Å; P378-W380 HydrophobicContact CB-CG 4.36Å; P378-W380 VanDerWaalsContact CB-NE1 3.34Å; P378-W380 HydrophobicContact CG-CD2 4.06Å; P378-W380 HydrophobicContact CG-CG 4.37Å; P378-W380 HydrophobicContact CG-CH2 4.38Å; P378-W380 HydrophobicContact CG-CZ2 3.49Å; P378-W380 VanDerWaalsContact CG-CZ2 3.49Å; P378-W380 PolarHBondContact O-N 3.32Å; W380-A384 VanDerWaalsContact O-CB 3.28Å; W380-A384 WeakPolarHBondContact O-CB 3.5Å; W380-A384 PolarHBondContact O-N 3.21Å
381	Y	98.6	Very high	89.6	Confident	0 Å²	0	65 Å²	65	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-77.8	-47	178	-179	-102.6	0	0	0	110.5	L110 V113 L114 F159 Y164 L377 P378 T379 E383 A384 M385	L110-Y381 HydrophobicContact CB-CD2 3.83Å; L110-Y381 HydrophobicContact CB-CE2 4.1Å; L110-Y381 HydrophobicContact CB-CG 4.2Å; L110-Y381 HydrophobicContact CD1-CD1 4.41Å; L110-Y381 HydrophobicContact CD1-CG 4.35Å; L110-Y381 HydrophobicContact CD2-CD1 4.27Å; L110-Y381 HydrophobicContact CD2-CD2 4.41Å; L110-Y381 HydrophobicContact CD2-CE1 3.95Å; L110-Y381 HydrophobicContact CD2-CE2 4.1Å; L110-Y381 HydrophobicContact CD2-CG 4.48Å; L110-Y381 WeakPolarHBondContact O-CE2 3.31Å; V113-Y381 HydrophobicContact CB-CE2 4.47Å; V113-Y381 HydrophobicContact CG1-CE2 4.26Å; V113-Y381 WeakPolarHBondContact CG1-OH 3.44Å; L114-Y381 HydrophobicContact CB-CD2 4.17Å; L114-Y381 HydrophobicContact CB-CE2 4.22Å; L114-Y381 HydrophobicContact CD1-CD2 4.38Å; F159-Y381 HydrophobicContact CD1-CD1 4.47Å; F159-Y381 HydrophobicContact CD1-CE1 4.09Å; F159-Y381 HydrophobicContact CE1-CD1 4.3Å; F159-Y381 HydrophobicContact CE1-CE1 4.13Å; Y164-Y381 HydrophobicContact CE1-CE1 4.15Å; Y164-Y381 AromaticContact CZ-CE1 3.94Å; Y164-Y381 PolarHBondContact OH-OH 3.33Å; L377-Y381 HydrophobicContact CD2-CD1 4.47Å; P378-Y381 WeakPolarHBondContact O-CB 3.42Å; P378-Y381 PolarHBondContact O-N 2.95Å; T379-Y381 PolarHBondContact O-N 3.31Å; Y381-E383 PolarHBondContact O-N 3.13Å; Y381-A384 PolarHBondContact O-N 3.45Å; Y381-M385 HydrophobicContact CD1-CG 4.21Å; Y381-M385 HydrophobicContact CD2-CG 4.18Å; Y381-M385 HydrophobicContact CE1-CG 3.89Å; Y381-M385 HydrophobicContact CE2-CG 3.84Å; Y381-M385 HydrophobicContact CE2-SD 4.12Å; Y381-M385 HydrophobicContact CG-CG 4.36Å; Y381-M385 WeakPolarHBondContact O-CB 3.49Å; Y381-M385 WeakPolarHBondContact O-CG 3.5Å; Y381-M385 PolarHBondContact O-N 3.25Å
382	V	98.4	Very high	87.2	Confident	29 Å²	29	70.4 Å²	70.4	18%	0.176	40%	0.399	C	S	.	.	H	α-helix	trans	-61.5	-46.2	-178.5	175.2	0	0	0	0	111.3	F159 P350 L377 P378 T379 T386	F159-V382 HydrophobicContact CE1-CG2 4.4Å; F159-V382 HydrophobicContact CE2-CG1 4.03Å; F159-V382 HydrophobicContact CZ-CB 4.27Å; F159-V382 HydrophobicContact CZ-CG1 3.88Å; F159-V382 HydrophobicContact CZ-CG2 4.47Å; P350-V382 HydrophobicContact CB-CG1 4.43Å; P350-V382 HydrophobicContact CB-CG2 3.76Å; P350-V382 HydrophobicContact CG-CG1 3.86Å; P350-V382 HydrophobicContact CG-CG2 4.11Å; L377-V382 HydrophobicContact CB-CG2 3.98Å; P378-V382 PolarHBondContact O-N 3.03Å; P378-V382 VanDerWaalsContact O-N 3.13Å; T379-V382 PolarHBondContact O-N 3.38Å; V382-T386 WeakPolarHBondContact O-CB 3.18Å; V382-T386 PolarHBondContact O-N 3.39Å; V382-T386 PolarHBondContact O-OG1 3.46Å
383	E	97.8	Very high	84.8	Confident	110 Å²	110	71.3 Å²	71.3	51%	0.514	40%	0.399	S	S	.	.	H	α-helix	trans	-63.4	-48.6	179.1	-72.7	177.4	172.8	0	0	111.4	T379 Y381 M385 T386 Q387	T379-E383 VanDerWaalsContact CG2-CD 3.42Å; T379-E383 HydrophobicContact CG2-CG 3.89Å; T379-E383 WeakPolarHBondContact CG2-OE1 3.49Å; T379-E383 WeakPolarHBondContact O-CB 3.44Å; T379-E383 WeakPolarHBondContact O-CG 3.29Å; T379-E383 PolarHBondContact O-N 3.09Å; Y381-E383 PolarHBondContact O-N 3.13Å; E383-M385 PolarHBondContact O-N 3.03Å; E383-T386 PolarHBondContact O-N 2.98Å; E383-T386 VanDerWaalsContact O-N 3.16Å; E383-Q387 WeakPolarHBondContact O-CG 3.4Å; E383-Q387 PolarHBondContact O-N 3.25Å
384	A	97.1	Very high	82.1	Confident	21 Å²	21	73.7 Å²	73.7	17%	0.174	41%	0.413	C	S	.	.	H	α-helix	trans	-63.8	-41.6	-178.7	0	0	0	0	0	112.4	L114 W380 Y381 T386	L114-A384 HydrophobicContact CD1-CB 3.61Å; L114-A384 HydrophobicContact CD2-CB 3.84Å; L114-A384 HydrophobicContact CG-CB 4.35Å; W380-A384 VanDerWaalsContact O-CB 3.28Å; W380-A384 WeakPolarHBondContact O-CB 3.5Å; W380-A384 PolarHBondContact O-N 3.21Å; Y381-A384 PolarHBondContact O-N 3.45Å; A384-T386 VanDerWaalsContact C-N 3.3Å; A384-T386 PolarHBondContact O-N 3.11Å
385	M	95.8	Very high	79.5	Confident	14 Å²	14	76.6 Å²	76.6	7%	0.069	44%	0.437	C	S	.	.	H	α-helix	trans	-68.5	-28.9	175.8	-68.4	-68.8	-70.7	0	0	112.7	L114 L127 F159 Q160 Y381 E383	L114-M385 HydrophobicContact CD1-CG 4.08Å; L114-M385 HydrophobicContact CD1-SD 3.92Å; L127-M385 HydrophobicContact CD2-CE 4.24Å; F159-M385 HydrophobicContact CE1-CB 3.65Å; F159-M385 HydrophobicContact CE1-CG 4.15Å; F159-M385 HydrophobicContact CZ-CB 3.93Å; Q160-M385 VanDerWaalsContact NE2-C 3.33Å; Q160-M385 PolarHBondContact NE2-O 3.43Å; Y381-M385 HydrophobicContact CD1-CG 4.21Å; Y381-M385 HydrophobicContact CD2-CG 4.18Å; Y381-M385 HydrophobicContact CE1-CG 3.89Å; Y381-M385 HydrophobicContact CE2-CG 3.84Å; Y381-M385 HydrophobicContact CE2-SD 4.12Å; Y381-M385 HydrophobicContact CG-CG 4.36Å; Y381-M385 WeakPolarHBondContact O-CB 3.49Å; Y381-M385 WeakPolarHBondContact O-CG 3.5Å; Y381-M385 PolarHBondContact O-N 3.25Å; E383-M385 PolarHBondContact O-N 3.03Å
386	T	94.3	Very high	77	Confident	69 Å²	69	81 Å²	81	42%	0.423	46%	0.464	S	S	.	.	H	α-helix	trans	-76.6	-37.5	179.6	-57.9	0	0	0	0	112	V382 E383 A384 D388 L389	V382-T386 WeakPolarHBondContact O-CB 3.18Å; V382-T386 PolarHBondContact O-N 3.39Å; V382-T386 PolarHBondContact O-OG1 3.46Å; E383-T386 PolarHBondContact O-N 2.98Å; E383-T386 VanDerWaalsContact O-N 3.16Å; A384-T386 VanDerWaalsContact C-N 3.3Å; A384-T386 PolarHBondContact O-N 3.11Å; T386-D388 PolarHBondContact O-N 2.73Å; T386-L389 PolarHBondContact O-N 3.08Å
387	Q	85.9	Confident	74.5	Confident	155 Å²	155	85.7 Å²	85.7	72%	0.724	50%	0.497	S	S	*	.	H	α-helix	trans	-65	-24	179.7	-72.6	173.6	10.5	0	0	113.4	E383 L389	E383-Q387 WeakPolarHBondContact O-CG 3.4Å; E383-Q387 PolarHBondContact O-N 3.25Å; Q387-L389 VanDerWaalsContact C-N 3.33Å
388	D	70.1	Confident	72.3	Confident	72 Å²	72	90.8 Å²	90.8	39%	0.385	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-4.2	179.6	-79.8	-6.2	0	0	0	114.7	R117 H118 T386	R117-D388 IonicContact CZ-OD2 3.45Å; R117-D388 IonicContact NE-OD2 2.69Å; R117-D388 PolarHBondContact NE-OD2 2.92Å; R117-D388 IonicContact NH2-OD1 3.25Å; R117-D388 IonicContact NH2-OD2 3.06Å; R117-D388 PolarHBondContact NH2-OD2 2.74Å; H118-D388 IonicContact CE1-OD2 3.33Å; H118-D388 PolarHBondContact CE1-OD2 2.9Å; H118-D388 IonicContact NE2-OD2 3.63Å; H118-D388 PolarHBondContact NE2-OD2 3.05Å; T386-D388 PolarHBondContact O-N 2.73Å
389	L	62.3	Low	70.1	Confident	99 Å²	99	99.3 Å²	99.3	52%	0.518	57%	0.566	S	S	.	*	S	Bend	trans	-70.6	129.2	172.1	-74.5	165.1	0	0	0	108.8	T386 Q387	T386-L389 PolarHBondContact O-N 3.08Å; Q387-L389 VanDerWaalsContact C-N 3.33Å
390	P	56.1	Low	67.8	Low	107 Å²	107	106.2 Å²	106.2	70%	0.695	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-55.7	140.5	169.2	22.4	-29.7	0	0	0	108.4	L392	P390-L392 PolarHBondContact O-N 3.49Å
391	P	46.6	Very low	66.3	Low	121 Å²	121	106.4 Å²	106.4	79%	0.786	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-53.2	130.2	178.4	21.8	-32.3	0	0	0	108.6	S393	P391-S393 PolarHBondContact O-N 2.79Å
392	L	47.8	Very low	64.6	Low	171 Å²	171	111.9 Å²	111.9	90%	0.895	64%	0.641	S	S	*	*			trans	-46.8	115.9	172.7	-81.5	157.9	0	0	0	107.6	P390 T394	P390-L392 PolarHBondContact O-N 3.49Å; L392-T394 PolarHBondContact O-N 2.81Å
393	S	43.7	Very low	62.8	Low	109 Å²	109	116.6 Å²	116.6	76%	0.762	67%	0.667	S	S	*	*			trans	-55.6	108.7	177.1	56.2	0	0	0	0	107.4	P391 T395	P391-S393 PolarHBondContact O-N 2.79Å; S393-T395 PolarHBondContact O-N 2.96Å
394	T	40.9	Very low	60.7	Low	134 Å²	134	116.9 Å²	116.9	82%	0.822	68%	0.676	S	S	*	*			trans	-60.1	106.6	169.6	34.2	0	0	0	0	106.5	L392 P396	L392-T394 PolarHBondContact O-N 2.81Å; T394-P396 WeakPolarHBondContact O-CD 3.4Å; T394-P396 VanDerWaalsContact O-N 3.16Å
395	T	43.8	Very low	58.4	Low	124 Å²	124	122.9 Å²	122.9	76%	0.761	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-51.9	121.9	164.2	34.3	0	0	0	0	107	S393 S397	S393-T395 PolarHBondContact O-N 2.96Å; T395-S397 PolarHBondContact O-N 2.67Å
396	P	46.3	Very low	55.9	Low	121 Å²	121	130.2 Å²	130.2	79%	0.786	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-61.2	127.8	177.3	24	-30.3	0	0	0	107.8	T394	T394-P396 WeakPolarHBondContact O-CD 3.4Å; T394-P396 VanDerWaalsContact O-N 3.16Å
397	S	44.7	Very low	53.2	Low	105 Å²	105	134.6 Å²	134.6	73%	0.734	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-49.4	136.7	170.4	-69	0	0	0	0	109.1	T395 K399	T395-S397 PolarHBondContact O-N 2.67Å; S397-K399 PolarHBondContact O-N 3.17Å; S397-K399 VanDerWaalsContact O-N 3.09Å
398	P	53.7	Low	50.7	Low	123 Å²	123	133 Å²	133	80%	0.799	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-58.8	121.8	171.1	23.5	-27.5	0	0	0	107.1
399	K	52.6	Low	49.1	Very low	204 Å²	204	138.1 Å²	138.1	89%	0.887	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-66.5	133.2	169.4	-72.6	-176.1	176.1	-177.3	0	107.5	S397	S397-K399 PolarHBondContact O-N 3.17Å; S397-K399 VanDerWaalsContact O-N 3.09Å
400	D	50	Low	47.8	Very low	239 Å²	239	141.6 Å²	141.6	100%	1.278	84%	0.837	S	S	*	*			trans	-50.3	0	175	-65.8	-47.3	0	0	0	113.4

Retrieved 400 of 400 residues in 317.9 ms (Link to these results)

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