A0A087XW69_POEFO Loading...

Aminopeptidase

Aminopeptidase that plays a central role in peptide trimming, a step required for the generation of most HLA class I-binding peptides. Peptide trimming is essential to customize longer precursor peptides to fit them to the correct length required for presentation on MHC class I molecules. Strongly prefers substrates 9-16 residues long. Rapidly degrades 13-mer to a 9-mer and then stops. Preferentially hydrolyzes the residue Leu and peptides with a hydrophobic C-terminus, while it has weak activity toward peptides with charged C-terminus. May play a role in the inactivation of peptide hormones. May be involved in the regulation of blood pressure through the inactivation of angiotensin II and/or the generation of bradykinin in the kidney.

AlphaFold DB , UniProt , Accession A0A087XW69, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 941 aa.

						>A0A087XW69_POEFO|A0A087XW69
LATMFPLLLVLFVSIHPSSGAQIPNQDQAKQLPVAANGEPFPWDRMRLPVTISPLHYDLAIHPNLTSLDFTGMVRISLDVKEDTSIVVLHAKQMHISNVVLLAPEGVRPLRVLEYPQSHQLALLSESVLTKGRKYEVQLEFAANLSDSFHGFYKGSYRTSSGEVRAIASTQFEATFARGAFPCFDEPAFKANFTIRIIREPRHIAISNMPKVKTVELPGGLLEDHFDTTVKMSTYLVAYIVSDFLSVSKTTKHGVKISVYAVPDKIDQTAFALDAAVKLLDFYDDYFDIPYPLPKQDLAAIPDFQSGAMENWGLTTYRETGLLFDPDRSSASDKLGITKVIAHELAHQWFGNLVTMEWWNDLWLNEGFAKFMEFISLDITYPELHVDDFFLGKCFEAMEVDSLSSSHPVSTPVENPTQIQEMFDDVSYDKGACILNMLRDFLSPEAFEIGIIRYLKRYSYQNTVNSHLWESLTDVCSSDALDEGRLKHAEFCSKRKLQSGSSKWYSDDEPDVKTIMDTWTLQEGFPLVTVEVKGREVRLSQERFLRTDDPSLTEGFLWQIPLTYMTSASSTVHRFLLKTKMDVLYLPEEVDWVKFNVNMSGYYMVHYAGEGWNSIIKLLQYNHTALSGNDRASLIQNVFQLVSVGKVRLDTALDLSLYLSKETQIMAVTQGFGELVPLYKLMEKRDMTVLENQMKGYIVDLFRDLIDRQEWSDSGSVSERVLRSYLLLFACVRNHPPCVAKATKLFNQWKDSDGTMSLPVDITMAVFVIGARTPEGWDFLFEKYRTTLQMSVKSRIKSAMTVTYLKDKLKWMMEQSLIGEVMKTQDLPDVVVSVGRNPHGYKLAWDFLRANWHTMIKKFDLGSNSVSYMVLGVTNQYSTREMLQEIRSFFDSLTEETGSKMRCIQQTYETIEDNIRWTDTNFPLLEAWLNKHQHKPPHEDL
					

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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	L	29.5	Very low	25.7	Very low	224 Å²	224	149.5 Å²	149.5	100%	1.173	82%	0.817	S	S	*	*				0	84.3	0	-73.7	100.2	0	0	0	106.5
2	A	26	Very low	25.6	Very low	92 Å²	92	153.3 Å²	153.3	76%	0.76	82%	0.821	S	S	*	*				74	119.3	96.8	0	0	0	0	0	111
3	T	26.2	Very low	25.7	Very low	130 Å²	130	151.2 Å²	151.2	80%	0.798	82%	0.816	S	S	*	*			cis	-168.2	141.8	9.1	8.8	0	0	0	0	109
4	M	24	Very low	25.5	Very low	170 Å²	170	147.7 Å²	147.7	84%	0.837	81%	0.809	S	S	*	*			trans	10	129.2	163	-57.5	-166.8	87.8	0	0	122.5
5	F	24.8	Very low	25.6	Very low	214 Å²	214	148.5 Å²	148.5	94%	0.939	81%	0.81	S	S	*	*			trans	-122.6	125.4	151.6	-96.8	-87.3	0	0	0	109.1
6	P	29.9	Very low	25.6	Very low	94 Å²	94	149.9 Å²	149.9	61%	0.61	81%	0.809	S	S	*	*			trans	-132.5	133.4	158	34.9	-19.5	0	0	0	112.1
7	L	23.7	Very low	25.7	Very low	155 Å²	155	148.3 Å²	148.3	81%	0.812	81%	0.808	S	S	*	*				151.6	124.4	100.6	-140.8	87.5	0	0	0	110.7
8	L	23.3	Very low	25.9	Very low	157 Å²	157	146.7 Å²	146.7	82%	0.822	81%	0.809	S	S	*	*			trans	-60.4	140.6	160.1	-93.6	83.1	0	0	0	110.9
9	L	23.1	Very low	26.1	Very low	147 Å²	147	145.1 Å²	145.1	77%	0.77	81%	0.809	S	S	*	*			trans	-160.9	92.2	138.4	-115.4	138.7	0	0	0	109
10	V	26.5	Very low	26.2	Very low	121 Å²	121	140.9 Å²	140.9	73%	0.733	80%	0.801	S	S	*	*			trans	-84.8	108.2	162.6	174	0	0	0	0	106	F12	V10-F12 PolarHBondContact O-N 3.48Å
11	L	25.2	Very low	26.6	Very low	141 Å²	141	139 Å²	139	74%	0.738	80%	0.803	S	S	*	*			trans	-72.9	109.5	168.7	-90.3	154.7	0	0	0	108.5	V13	L11-V13 PolarHBondContact O-N 3.23Å
12	F	25	Very low	26.5	Very low	195 Å²	195	137.1 Å²	137.1	86%	0.855	79%	0.788	S	S	*	*			trans	-64.4	112.6	157.8	-84.5	-92.6	0	0	0	108.3	V10	V10-F12 PolarHBondContact O-N 3.48Å
13	V	26.4	Very low	26.9	Very low	125 Å²	125	140 Å²	140	76%	0.758	79%	0.789	S	S	*	*			trans	-102.3	120	160.6	176.2	0	0	0	0	107.3	L11 I15	L11-V13 PolarHBondContact O-N 3.23Å; V13-I15 PolarHBondContact O-N 3.4Å
14	S	23.2	Very low	27.3	Very low	103 Å²	103	139 Å²	139	72%	0.72	78%	0.784	S	S	*	*			trans	-55.8	115.1	-177.6	-49.7	0	0	0	0	112.4
15	I	26.8	Very low	27.6	Very low	160 Å²	160	137.5 Å²	137.5	82%	0.821	78%	0.78	S	S	*	*			trans	-78.9	115.3	158.4	-63.2	171.2	0	0	0	106.1	V13 P17	V13-I15 PolarHBondContact O-N 3.4Å; I15-P17 WeakPolarHBondContact O-CD 3.21Å
16	H	25.8	Very low	28.4	Very low	171 Å²	171	135.7 Å²	135.7	79%	0.792	77%	0.774	S	S	*	*			trans	-69.8	123.7	163.2	-85.4	2.4	0	0	0	108.8	S18	H16-S18 PolarHBondContact O-N 3.24Å
17	P	27.6	Very low	28.6	Very low	122 Å²	122	139.1 Å²	139.1	79%	0.792	79%	0.787	S	S	*	*			trans	-77.9	107.5	164.6	30.1	-26.7	0	0	0	107.7	I15 S19	I15-P17 WeakPolarHBondContact O-CD 3.21Å; P17-S19 PolarHBondContact O-N 3.07Å; P17-S19 VanDerWaalsContact O-N 3.17Å
18	S	28.7	Very low	29.4	Very low	119 Å²	119	139.4 Å²	139.4	83%	0.832	78%	0.784	S	S	*	*			trans	-78.4	102.4	171.1	60.8	0	0	0	0	109.8	H16	H16-S18 PolarHBondContact O-N 3.24Å
19	S	30.8	Very low	30.3	Very low	116 Å²	116	136.7 Å²	136.7	81%	0.811	79%	0.785	S	S	*	*			trans	54.6	96.8	159.1	-161.5	0	0	0	0	117.5	P17	P17-S19 PolarHBondContact O-N 3.07Å; P17-S19 VanDerWaalsContact O-N 3.17Å
20	G	28.6	Very low	32	Very low	62 Å²	62	136.9 Å²	136.9	64%	0.639	78%	0.779	S	S	*	*			trans	-56.5	150.6	170.1	0	0	0	0	0	113.8	Q22	G20-Q22 PolarHBondContact O-N 3.1Å
21	A	34.7	Very low	34.3	Very low	102 Å²	102	139.6 Å²	139.6	84%	0.843	78%	0.784	S	S	*	*			trans	-49	109.9	155.2	0	0	0	0	0	108.3	I23	A21-I23 PolarHBondContact O-N 3.07Å
22	Q	27	Very low	37.1	Very low	184 Å²	184	136.9 Å²	136.9	86%	0.86	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-63.1	116.7	165.5	-81.9	179.2	-28.3	0	0	107.2	G20	G20-Q22 PolarHBondContact O-N 3.1Å
23	I	34	Very low	40.3	Very low	153 Å²	153	128.7 Å²	128.7	79%	0.785	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-49.8	129.1	152.8	-60	170.2	0	0	0	105.5	A21 N25	A21-I23 PolarHBondContact O-N 3.07Å; I23-N25 PolarHBondContact O-N 3.07Å
24	P	34.2	Very low	43.5	Very low	108 Å²	108	126.9 Å²	126.9	70%	0.701	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-57.8	122.5	179.4	-16.6	27.7	0	0	0	107.7	Q26	P24-Q26 VanDerWaalsContact C-N 3.28Å; P24-Q26 PolarHBondContact O-N 3.38Å
25	N	31.3	Very low	46.9	Very low	138 Å²	138	122.1 Å²	122.1	74%	0.738	69%	0.692	S	S	*	*			trans	-55.7	98.4	165.2	-103.3	-13.5	0	0	0	107.3	I23 D27	I23-N25 PolarHBondContact O-N 3.07Å; N25-D27 PolarHBondContact O-N 2.9Å
26	Q	39.8	Very low	50.1	Low	177 Å²	177	118 Å²	118	83%	0.827	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	113.4	157.6	-77.3	179.9	-25.5	0	0	105.5	P24	P24-Q26 VanDerWaalsContact C-N 3.28Å; P24-Q26 PolarHBondContact O-N 3.38Å
27	D	35.9	Very low	53.4	Low	165 Å²	165	114.1 Å²	114.1	88%	0.882	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	123.8	17.8	172.6	-61.7	-19.6	0	0	0	116.6	N25	N25-D27 PolarHBondContact O-N 2.9Å
28	Q	39	Very low	56.5	Low	161 Å²	161	111 Å²	111	75%	0.752	66%	0.657	S	S	*	*	S	Bend	trans	-92.1	108.4	147	-82.4	-174.9	-10.4	0	0	108.2	K30	Q28-K30 PolarHBondContact O-N 3.45Å
29	A	43.5	Very low	59.7	Low	100 Å²	100	108.5 Å²	108.5	83%	0.826	63%	0.632	S	S	*	*			trans	-53.7	105.9	168	0	0	0	0	0	107.8	Q31	A29-Q31 PolarHBondContact O-N 2.8Å
30	K	57.8	Low	62.8	Low	152 Å²	152	107 Å²	107	66%	0.661	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-53.7	116.6	175.6	-90.3	-177.1	161.7	-163.5	0	107.6	Q28 L32 D44	Q28-K30 PolarHBondContact O-N 3.45Å; K30-L32 PolarHBondContact O-N 3.48Å; K30-D44 WeakPolarHBondContact CD-OD2 3.29Å; K30-D44 IonicContact NZ-OD2 3.66Å; K30-D44 PolarHBondContact NZ-OD2 3.41Å
31	Q	75.8	Confident	66	Low	178 Å²	178	104.1 Å²	104.1	83%	0.832	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-64.2	118.5	176.3	-168.6	170.9	2.8	0	0	107.6	A29	A29-Q31 PolarHBondContact O-N 2.8Å
32	L	84	Confident	69	Low	84 Å²	84	101.1 Å²	101.1	44%	0.44	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-59.1	144.9	177.5	-74	170.5	0	0	0	109.9	K30 P40	K30-L32 PolarHBondContact O-N 3.48Å; L32-P40 HydrophobicContact CB-CB 4.04Å; L32-P40 HydrophobicContact CD1-CB 4.02Å
33	P	92	Very high	72.2	Confident	23 Å²	23	95 Å²	95	15%	0.149	53%	0.531	C	S	.	.	P	Polyproline II helix	trans	-57	157.3	173.7	-21	32.1	0	0	0	111.3	P40 F41 W43 D44 Y115	P33-P40 CarbonylContact O-C 3.55Å; P33-P40 WeakPolarHBondContact O-CA 3.34Å; P33-F41 HydrophobicContact CB-CB 4.28Å; P33-F41 PolarHBondContact O-N 2.87Å; P33-W43 WeakPolarHBondContact CG-O 3.38Å; P33-D44 HydrophobicContact CG-CB 4.18Å; P33-Y115 HydrophobicContact CB-CD2 4.45Å; P33-Y115 HydrophobicContact CB-CE1 4.05Å; P33-Y115 HydrophobicContact CB-CE2 3.96Å; P33-Y115 HydrophobicContact CG-CE1 4.45Å
34	V	93.9	Very high	75.1	Confident	86 Å²	86	90.7 Å²	90.7	52%	0.521	51%	0.509	S	S	.	.	B	Isolated β-bridge	trans	-102	123.2	-179.2	-176.2	0	0	0	0	109
35	A	94.5	Very high	78	Confident	4 Å²	4	92.5 Å²	92.5	3%	0.033	50%	0.502	C	S	.	.	P	Polyproline II helix	trans	-69.1	165	174.8	0	0	0	0	0	111.4	N37 G38 E39 F41 L113 E114	A35-N37 WeakPolarHBondContact CB-OD1 3Å; A35-N37 PolarHBondContact O-N 2.57Å; A35-G38 PolarHBondContact O-N 3.02Å; A35-E39 WeakPolarHBondContact CB-O 3.28Å; A35-E39 PolarHBondContact N-O 2.67Å; A35-F41 HydrophobicContact CB-CB 4.28Å; A35-F41 HydrophobicContact CB-CD2 4.23Å; A35-L113 HydrophobicContact CB-CB 4.08Å; A35-L113 HydrophobicContact CB-CD2 4.45Å; A35-E114 CarbonylContact C-O 3.58Å; A35-E114 VanDerWaalsContact CA-O 3.29Å; A35-E114 WeakPolarHBondContact CA-O 3.16Å; A35-E114 WeakPolarHBondContact CB-O 3.47Å
36	A	93.9	Very high	81	Confident	73 Å²	73	89.3 Å²	89.3	60%	0.603	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-24.8	-177.7	0	0	0	0	0	114.2	E114 P116	A36-E114 HydrophobicContact CB-CB 4.44Å; A36-E114 PolarHBondContact N-O 3.37Å; A36-P116 HydrophobicContact CB-CG 4.31Å
37	N	93.6	Very high	83.7	Confident	90 Å²	90	84.9 Å²	84.9	48%	0.481	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	4.5	176.8	68.3	-10.4	0	0	0	114	A35 E39 L113	A35-N37 WeakPolarHBondContact CB-OD1 3Å; A35-N37 PolarHBondContact O-N 2.57Å; N37-E39 WeakPolarHBondContact OD1-CB 3.38Å; N37-E39 PolarHBondContact OD1-N 2.83Å; N37-L113 VanDerWaalsContact ND2-CD2 3.3Å; N37-L113 WeakPolarHBondContact ND2-CD2 3.32Å
38	G	93.9	Very high	86.7	Confident	56 Å²	56	77.4 Å²	77.4	58%	0.577	42%	0.419	S	S	*	.	S	Bend	trans	86.9	-2.9	-179.9	0	0	0	0	0	115.3	A35	A35-G38 PolarHBondContact O-N 3.02Å
39	E	95.3	Very high	89.5	Confident	67 Å²	67	70.4 Å²	70.4	31%	0.313	39%	0.387	S	S	.	.	S	Bend	trans	-83	156.5	177.2	-63.4	-179.3	-170.5	0	0	112.1	A35 N37 F41 R111 L113	A35-E39 WeakPolarHBondContact CB-O 3.28Å; A35-E39 PolarHBondContact N-O 2.67Å; N37-E39 WeakPolarHBondContact OD1-CB 3.38Å; N37-E39 PolarHBondContact OD1-N 2.83Å; E39-F41 PolarHBondContact O-N 2.85Å; E39-R111 IonicContact OE2-CZ 3.68Å; E39-R111 IonicContact OE2-NE 2.66Å; E39-R111 PolarHBondContact OE2-NE 3.18Å; E39-R111 IonicContact OE2-NH2 2.94Å; E39-R111 PolarHBondContact OE2-NH2 2.64Å; E39-L113 HydrophobicContact CB-CD2 4.29Å; E39-L113 WeakPolarHBondContact OE2-CD2 3.11Å
40	P	95.6	Very high	92	Very high	85 Å²	85	70.8 Å²	70.8	55%	0.552	38%	0.379	S	S	*	.	B	Isolated β-bridge	trans	-62.2	124.5	172	-21.1	33.3	0	0	0	111.7	L32 P33	L32-P40 HydrophobicContact CB-CB 4.04Å; L32-P40 HydrophobicContact CD1-CB 4.02Å; P33-P40 CarbonylContact O-C 3.55Å; P33-P40 WeakPolarHBondContact O-CA 3.34Å
41	F	97	Very high	93.8	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-78.1	131.6	170.6	-166.2	-103.6	0	0	0	109.3	P33 A35 E39 W43 V88 L113 Y115 Q120 A122	P33-F41 HydrophobicContact CB-CB 4.28Å; P33-F41 PolarHBondContact O-N 2.87Å; A35-F41 HydrophobicContact CB-CB 4.28Å; A35-F41 HydrophobicContact CB-CD2 4.23Å; E39-F41 PolarHBondContact O-N 2.85Å; F41-W43 HydrophobicContact CD1-CB 4.17Å; F41-W43 VanDerWaalsContact CD1-O 3.3Å; F41-W43 WeakPolarHBondContact CD1-O 3.45Å; F41-W43 HydrophobicContact CE1-CB 3.9Å; F41-W43 PolarHBondContact O-N 2.71Å; F41-W43 VanDerWaalsContact O-N 3.07Å; F41-V88 HydrophobicContact CE1-CG1 4.43Å; F41-V88 HydrophobicContact CZ-CG1 4.3Å; F41-L113 HydrophobicContact CD2-CB 3.95Å; F41-L113 HydrophobicContact CE2-CB 4.24Å; F41-Y115 HydrophobicContact CD1-CD1 4.1Å; F41-Y115 HydrophobicContact CD1-CG 4.17Å; F41-Y115 HydrophobicContact CE1-CD1 4.27Å; F41-Y115 HydrophobicContact CE1-CG 4.48Å; F41-Y115 HydrophobicContact CG-CG 4.22Å; F41-Q120 HydrophobicContact CE1-CB 4.13Å; F41-Q120 HydrophobicContact CZ-CB 3.77Å; F41-A122 HydrophobicContact CD2-CB 4.18Å; F41-A122 HydrophobicContact CE2-CB 3.53Å; F41-A122 HydrophobicContact CZ-CB 3.78Å
42	P	96.1	Very high	94.8	Very high	39 Å²	39	56.9 Å²	56.9	25%	0.253	32%	0.319	S	S	.	.	S	Bend	trans	-80	10.4	-165.8	34.3	-40	0	0	0	114.7	I86 A122 L124	P42-I86 HydrophobicContact CB-CD1 3.8Å; P42-I86 HydrophobicContact CB-CG1 4.46Å; P42-I86 HydrophobicContact CB-CG2 4.39Å; P42-I86 HydrophobicContact CG-CD1 4.39Å; P42-I86 HydrophobicContact CG-CG2 3.83Å; P42-A122 HydrophobicContact CG-CB 3.5Å; P42-L124 HydrophobicContact CG-CD2 4.08Å
43	W	95.8	Very high	95.4	Very high	57 Å²	57	54.3 Å²	54.3	22%	0.216	31%	0.308	C	S	.	.			trans	-142.8	130.3	-175.2	-173.1	-113.5	0	0	0	111.2	P33 F41 R45 R47 P49 V88	P33-W43 WeakPolarHBondContact CG-O 3.38Å; F41-W43 HydrophobicContact CD1-CB 4.17Å; F41-W43 VanDerWaalsContact CD1-O 3.3Å; F41-W43 WeakPolarHBondContact CD1-O 3.45Å; F41-W43 HydrophobicContact CE1-CB 3.9Å; F41-W43 PolarHBondContact O-N 2.71Å; F41-W43 VanDerWaalsContact O-N 3.07Å; W43-R45 HydrophobicContact CZ2-CB 4.08Å; W43-R45 HydrophobicContact CZ2-CG 4.32Å; W43-R45 PolarHBondContact NE1-O 3.28Å; W43-R47 WeakPolarHBondContact CZ2-O 3.22Å; W43-R47 PolarHBondContact NE1-O 3.39Å; W43-P49 HydrophobicContact CD2-CG 3.67Å; W43-P49 HydrophobicContact CE3-CB 4.45Å; W43-P49 HydrophobicContact CE3-CG 3.76Å; W43-P49 HydrophobicContact CG-CG 4.31Å; W43-P49 HydrophobicContact CH2-CB 3.86Å; W43-P49 HydrophobicContact CH2-CG 3.87Å; W43-P49 HydrophobicContact CZ2-CB 4.09Å; W43-P49 HydrophobicContact CZ2-CG 3.77Å; W43-P49 HydrophobicContact CZ3-CB 4.05Å; W43-P49 HydrophobicContact CZ3-CG 3.86Å; W43-V88 HydrophobicContact CB-CG1 4.44Å; W43-V88 HydrophobicContact CB-CG2 4.05Å; W43-V88 HydrophobicContact CG-CG1 4.41Å; W43-V88 HydrophobicContact CG-CG2 4.35Å
44	D	94.1	Very high	95.7	Very high	61 Å²	61	53.4 Å²	53.4	33%	0.326	30%	0.302	S	S	.	.			trans	-108.6	14.8	-170.4	77.2	-34.7	0	0	0	114.4	K30 P33	K30-D44 WeakPolarHBondContact CD-OD2 3.29Å; K30-D44 IonicContact NZ-OD2 3.66Å; K30-D44 PolarHBondContact NZ-OD2 3.41Å; P33-D44 HydrophobicContact CG-CB 4.18Å
45	R	95.1	Very high	95.9	Very high	147 Å²	147	52.9 Å²	52.9	56%	0.555	30%	0.296	S	S	*	.			trans	-128.7	150.3	-176.3	-54.4	-174.2	-176.2	-169.2	-0.8	112.4	W43 Q120	W43-R45 HydrophobicContact CZ2-CB 4.08Å; W43-R45 HydrophobicContact CZ2-CG 4.32Å; W43-R45 PolarHBondContact NE1-O 3.28Å; R45-Q120 PolarHBondContact O-NE2 2.85Å
46	M	94.3	Very high	96.1	Very high	70 Å²	70	55 Å²	55	35%	0.345	31%	0.305	S	S	.	.	S	Bend	trans	-69.2	-39.8	172	-71.6	-167	176.8	0	0	112.1	Q120 E414 N415	M46-Q120 PolarHBondContact O-NE2 3.11Å; M46-E414 HydrophobicContact CB-CG 4.07Å; M46-E414 HydrophobicContact SD-CG 4.13Å; M46-N415 HydrophobicContact CE-CB 4.19Å; M46-N415 HydrophobicContact SD-CB 3.8Å
47	R	97.4	Very high	96.4	Very high	84 Å²	84	51.5 Å²	51.5	32%	0.317	28%	0.277	S	S	.	.	S	Bend	trans	-66.4	134.1	172.9	-64.4	-61.3	-56.9	-84.7	-0.4	110.5	W43 E186	W43-R47 WeakPolarHBondContact CZ2-O 3.22Å; W43-R47 PolarHBondContact NE1-O 3.39Å; R47-E186 VanDerWaalsContact CA-OE1 3.31Å; R47-E186 WeakPolarHBondContact CA-OE1 3.03Å; R47-E186 IonicContact CZ-OE2 3.18Å; R47-E186 VanDerWaalsContact CZ-OE2 3.26Å; R47-E186 VanDerWaalsContact NE-CD 3.32Å; R47-E186 IonicContact NE-OE1 3.89Å; R47-E186 PolarHBondContact NE-OE1 2.9Å; R47-E186 IonicContact NE-OE2 2.79Å; R47-E186 PolarHBondContact NE-OE2 3.04Å; R47-E186 IonicContact NH2-OE2 3.55Å; R47-E186 PolarHBondContact NH2-OE2 3.06Å
48	L	98.3	Very high	96.6	Very high	9 Å²	9	48.6 Å²	48.6	5%	0.047	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-66.5	153.9	179.3	-65.3	-179.7	0	0	0	111.9	V88 H90 Q120 F184 E186 F189	L48-V88 HydrophobicContact CD2-CB 4.47Å; L48-V88 HydrophobicContact CD2-CG1 3.92Å; L48-H90 VanDerWaalsContact CG-CE1 3.45Å; L48-H90 WeakPolarHBondContact CG-CE1 3.43Å; L48-Q120 HydrophobicContact CD2-CG 4.29Å; L48-F184 HydrophobicContact CD1-CB 4.01Å; L48-F184 HydrophobicContact CD1-CD1 3.88Å; L48-F184 HydrophobicContact CD1-CG 4.32Å; L48-E186 HydrophobicContact CD1-CG 4.48Å; L48-E186 PolarHBondContact N-OE1 2.84Å; L48-F189 HydrophobicContact CB-CE2 3.98Å; L48-F189 HydrophobicContact CB-CZ 4.25Å; L48-F189 HydrophobicContact CD1-CD2 4.47Å; L48-F189 HydrophobicContact CD1-CE2 4.17Å
49	P	97.5	Very high	96.8	Very high	13 Å²	13	46 Å²	46	8%	0.084	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-62.2	144.2	169.2	-13	24.8	0	0	0	111.5	W43 T51 V88	W43-P49 HydrophobicContact CD2-CG 3.67Å; W43-P49 HydrophobicContact CE3-CB 4.45Å; W43-P49 HydrophobicContact CE3-CG 3.76Å; W43-P49 HydrophobicContact CG-CG 4.31Å; W43-P49 HydrophobicContact CH2-CB 3.86Å; W43-P49 HydrophobicContact CH2-CG 3.87Å; W43-P49 HydrophobicContact CZ2-CB 4.09Å; W43-P49 HydrophobicContact CZ2-CG 3.77Å; W43-P49 HydrophobicContact CZ3-CB 4.05Å; W43-P49 HydrophobicContact CZ3-CG 3.86Å; P49-T51 VanDerWaalsContact C-N 3.3Å; P49-T51 HydrophobicContact CB-CG2 4.5Å; P49-V88 HydrophobicContact CG-CB 3.94Å; P49-V88 HydrophobicContact CG-CG2 3.93Å
50	V	95.8	Very high	97	Very high	109 Å²	109	43.5 Å²	43.5	66%	0.661	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.5	7.5	172.8	-62.3	0	0	0	0	113.2	I52	V50-I52 PolarHBondContact O-N 3.28Å
51	T	96.3	Very high	97.2	Very high	35 Å²	35	39.5 Å²	39.5	22%	0.215	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-25.6	179.7	54.3	0	0	0	0	112.5	P49 K81 E82	P49-T51 VanDerWaalsContact C-N 3.3Å; P49-T51 HydrophobicContact CB-CG2 4.5Å; T51-K81 WeakPolarHBondContact O-CB 3.12Å; T51-K81 PolarHBondContact O-N 2.87Å; T51-E82 HydrophobicContact CG2-CB 4.21Å; T51-E82 PolarHBondContact O-N 3.01Å
52	I	96.7	Very high	97.2	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.015	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	140.4	176.2	-62.8	178.1	0	0	0	108.7	V50 L78 D79 V80 T84 V87 L129 F184	V50-I52 PolarHBondContact O-N 3.28Å; I52-L78 HydrophobicContact CG2-CB 3.96Å; I52-L78 HydrophobicContact CG2-CD1 4.18Å; I52-L78 HydrophobicContact CG2-CD2 3.89Å; I52-L78 HydrophobicContact CG2-CG 4.23Å; I52-D79 WeakPolarHBondContact CA-O 3.33Å; I52-V80 HydrophobicContact CG1-CG2 4.47Å; I52-T84 HydrophobicContact CD1-CG2 3.66Å; I52-T84 HydrophobicContact CG1-CG2 3.89Å; I52-V87 HydrophobicContact CD1-CB 4.26Å; I52-V87 HydrophobicContact CD1-CG1 4.27Å; I52-V87 HydrophobicContact CD1-CG2 3.7Å; I52-L129 HydrophobicContact CD1-CD1 3.98Å; I52-F184 HydrophobicContact CG2-CE1 4.32Å; I52-F184 HydrophobicContact CG2-CZ 3.93Å
53	S	96.4	Very high	97.3	Very high	29 Å²	29	40.7 Å²	40.7	20%	0.203	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	146.8	170.1	-52	0	0	0	0	110.5	D79	S53-D79 PolarHBondContact N-O 3.43Å; S53-D79 PolarHBondContact O-N 2.72Å
54	P	98.3	Very high	97.5	Very high	5 Å²	5	40.6 Å²	40.6	3%	0.032	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	145.6	172.8	33.5	-35.4	0	0	0	110.6	Y57 I76 F184 F189 A191	P54-Y57 HydrophobicContact CB-CD2 4.49Å; P54-Y57 HydrophobicContact CB-CE2 3.55Å; P54-Y57 HydrophobicContact CG-CE2 3.97Å; P54-I76 HydrophobicContact CB-CG2 3.88Å; P54-F184 HydrophobicContact CB-CD2 3.89Å; P54-F184 HydrophobicContact CB-CE2 4.31Å; P54-F184 HydrophobicContact CG-CB 4.01Å; P54-F184 HydrophobicContact CG-CD2 3.93Å; P54-F184 HydrophobicContact CG-CG 4.08Å; P54-F189 HydrophobicContact CG-CB 3.91Å; P54-A191 HydrophobicContact CB-CB 4.17Å; P54-A191 HydrophobicContact CG-CB 4.23Å
55	L	98.2	Very high	97.6	Very high	74 Å²	74	38.3 Å²	38.3	39%	0.387	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	-41.6	171.1	-66	176.5	0	0	0	111.5	S77 D79 N192	L55-S77 PolarHBondContact N-O 3.32Å; L55-D79 HydrophobicContact CD1-CB 3.93Å; L55-D79 HydrophobicContact CD2-CB 3.87Å; L55-D79 HydrophobicContact CG-CB 3.77Å; L55-N192 PolarHBondContact O-N 2.9Å; L55-N192 VanDerWaalsContact O-N 3.13Å
56	H	98.9	Very high	97.6	Very high	49 Å²	49	36.2 Å²	36.2	23%	0.227	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	142.6	-174.6	-170.4	89.8	0	0	0	110.6	I76 S77 N192 T194	H56-I76 CarbonylContact O-C 3.59Å; H56-I76 WeakPolarHBondContact O-CA 3.27Å; H56-S77 PolarHBondContact O-N 3.01Å; H56-N192 CarbonylContact C-O 3.56Å; H56-N192 VanDerWaalsContact CA-O 3.32Å; H56-N192 WeakPolarHBondContact CA-O 3.36Å; H56-N192 WeakPolarHBondContact ND1-CB 3.48Å; H56-T194 PolarHBondContact CE1-OG1 3.01Å; H56-T194 PolarHBondContact NE2-OG1 2.79Å
57	Y	98.9	Very high	97.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	122	170.1	-67.6	-98.3	0	0	0	109.1	P54 V74 R75 I76 C183 F184 A191 N192 F193 T194	P54-Y57 HydrophobicContact CB-CD2 4.49Å; P54-Y57 HydrophobicContact CB-CE2 3.55Å; P54-Y57 HydrophobicContact CG-CE2 3.97Å; Y57-V74 HydrophobicContact CD1-CG2 3.83Å; Y57-R75 CarbonylContact C-O 3.52Å; Y57-R75 WeakPolarHBondContact CA-O 3.39Å; Y57-I76 HydrophobicContact CD1-CB 4.37Å; Y57-I76 HydrophobicContact CD1-CD1 4.09Å; Y57-I76 HydrophobicContact CD1-CG1 3.68Å; Y57-I76 HydrophobicContact CD1-CG2 4.06Å; Y57-I76 HydrophobicContact CE1-CB 4.37Å; Y57-I76 HydrophobicContact CE1-CD1 3.61Å; Y57-I76 HydrophobicContact CE1-CG1 3.71Å; Y57-I76 HydrophobicContact CE1-CG2 3.79Å; Y57-I76 HydrophobicContact CE2-CG2 4.48Å; Y57-I76 HydrophobicContact CG-CG2 4.5Å; Y57-C183 HydrophobicContact CE1-CB 3.72Å; Y57-F184 WeakPolarHBondContact OH-CD2 3.43Å; Y57-F184 PolarHBondContact OH-N 2.88Å; Y57-A191 HydrophobicContact CD2-CB 3.63Å; Y57-A191 HydrophobicContact CE2-CB 3.53Å; Y57-N192 PolarHBondContact N-O 2.91Å; Y57-F193 HydrophobicContact CD1-CE1 4.24Å; Y57-F193 AromaticContact CD2-CD1 3.82Å; Y57-F193 HydrophobicContact CD2-CD1 3.82Å; Y57-F193 AromaticContact CD2-CE1 3.29Å; Y57-F193 HydrophobicContact CD2-CE1 3.29Å; Y57-F193 HydrophobicContact CD2-CE2 4.36Å; Y57-F193 AromaticContact CD2-CZ 3.61Å; Y57-F193 HydrophobicContact CD2-CZ 3.61Å; Y57-F193 AromaticContact CE2-CE1 3.81Å; Y57-F193 HydrophobicContact CE2-CE1 3.81Å; Y57-F193 AromaticContact CE2-CZ 3.82Å; Y57-F193 HydrophobicContact CE2-CZ 3.82Å; Y57-F193 AromaticContact CG-CD1 3.81Å; Y57-F193 HydrophobicContact CG-CD1 3.81Å; Y57-F193 AromaticContact CG-CE1 3.54Å; Y57-F193 HydrophobicContact CG-CE1 3.54Å; Y57-F193 HydrophobicContact CG-CZ 4.32Å; Y57-F193 CarbonylContact O-C 3.27Å; Y57-F193 WeakPolarHBondContact O-CA 3.43Å; Y57-T194 PolarHBondContact O-N 3.42Å
58	D	98.9	Very high	97.8	Very high	29 Å²	29	34.4 Å²	34.4	16%	0.155	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	110.5	163.4	-176.5	3.9	0	0	0	108.3	V74 R75 R196	D58-V74 WeakPolarHBondContact O-CA 3.28Å; D58-R75 HydrophobicContact CB-CB 4.3Å; D58-R75 PolarHBondContact N-O 3.47Å; D58-R75 PolarHBondContact O-N 2.78Å; D58-R196 VanDerWaalsContact CG-NH1 3.31Å; D58-R196 IonicContact OD1-CZ 3.44Å; D58-R196 IonicContact OD1-NE 2.6Å; D58-R196 IonicContact OD1-NH1 3.34Å; D58-R196 PolarHBondContact OD1-NH1 2.9Å; D58-R196 IonicContact OD1-NH2 3.83Å; D58-R196 PolarHBondContact OD1-NH2 2.99Å; D58-R196 IonicContact OD2-CZ 3.92Å; D58-R196 IonicContact OD2-NH1 3.01Å; D58-R196 PolarHBondContact OD2-NH1 3.3Å; D58-R196 IonicContact OD2-NH2 2.74Å; D58-R196 PolarHBondContact OD2-NH2 2.99Å
59	L	98.8	Very high	97.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	118.4	-169.4	-172.7	66.4	0	0	0	110.5	I61 V74 F141 F181 T194 I195 R196 Y239	L59-I61 HydrophobicContact CD1-CD1 3.81Å; L59-I61 HydrophobicContact CD1-CG1 4.43Å; L59-I61 HydrophobicContact CD2-CD1 4.19Å; L59-I61 HydrophobicContact CD2-CG1 4.15Å; L59-I61 HydrophobicContact CG-CD1 3.89Å; L59-I61 HydrophobicContact CG-CG1 3.95Å; L59-V74 HydrophobicContact CD1-CB 3.91Å; L59-V74 HydrophobicContact CD1-CG2 4.08Å; L59-F141 HydrophobicContact CD1-CE1 4.44Å; L59-F141 HydrophobicContact CD1-CZ 4.07Å; L59-F181 HydrophobicContact CD1-CB 3.75Å; L59-F181 HydrophobicContact CD1-CD1 4.44Å; L59-F181 HydrophobicContact CD1-CD2 4.29Å; L59-F181 HydrophobicContact CD1-CG 3.93Å; L59-F181 HydrophobicContact CD2-CD1 3.87Å; L59-F181 HydrophobicContact CD2-CE1 4.12Å; L59-F181 HydrophobicContact CD2-CG 4.14Å; L59-T194 PolarHBondContact N-O 3.37Å; L59-I195 CarbonylContact O-C 3.52Å; L59-I195 WeakPolarHBondContact O-CA 3.23Å; L59-R196 PolarHBondContact O-N 3.49Å; L59-Y239 HydrophobicContact CD2-CE1 3.97Å
60	A	98.8	Very high	97.8	Very high	15 Å²	15	36.4 Å²	36.4	12%	0.124	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	125.9	169.9	0	0	0	0	0	109.9	G72 M73 R196	A60-G72 CarbonylContact O-C 3.55Å; A60-G72 WeakPolarHBondContact O-CA 3.33Å; A60-M73 PolarHBondContact N-O 3.23Å; A60-M73 PolarHBondContact O-N 2.89Å; A60-R196 WeakPolarHBondContact CA-O 3.49Å; A60-R196 HydrophobicContact CB-CB 4.35Å
61	I	98.8	Very high	98	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	135.4	179.3	-51.3	-67.8	0	0	0	109.7	L59 F70 F141 F152 R196 I197 I198 Y239	L59-I61 HydrophobicContact CD1-CD1 3.81Å; L59-I61 HydrophobicContact CD1-CG1 4.43Å; L59-I61 HydrophobicContact CD2-CD1 4.19Å; L59-I61 HydrophobicContact CD2-CG1 4.15Å; L59-I61 HydrophobicContact CG-CD1 3.89Å; L59-I61 HydrophobicContact CG-CG1 3.95Å; I61-F70 HydrophobicContact CG2-CD2 4.26Å; I61-F141 HydrophobicContact CD1-CE2 3.87Å; I61-F141 HydrophobicContact CD1-CZ 3.64Å; I61-F152 HydrophobicContact CG2-CD1 4.41Å; I61-F152 HydrophobicContact CG2-CE1 3.77Å; I61-F152 HydrophobicContact CG2-CZ 4.48Å; I61-R196 PolarHBondContact N-O 3.07Å; I61-I197 HydrophobicContact CB-CD1 3.82Å; I61-I197 HydrophobicContact CG1-CD1 4.23Å; I61-I197 WeakPolarHBondContact O-CA 3.31Å; I61-I198 PolarHBondContact O-N 2.62Å; I61-Y239 HydrophobicContact CG1-CE1 4.42Å; I61-Y239 HydrophobicContact CG1-CE2 4.31Å; I61-Y239 HydrophobicContact CG2-CE2 4.32Å
62	H	98.6	Very high	98.1	Very high	57 Å²	57	33.6 Å²	33.6	26%	0.264	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	88.7	175.4	-175	-169.3	0	0	0	109.6	F70 T71 I198	H62-F70 VanDerWaalsContact O-CA 3.31Å; H62-F70 WeakPolarHBondContact O-CA 3.31Å; H62-T71 PolarHBondContact N-O 2.84Å; H62-T71 PolarHBondContact O-N 2.66Å; H62-T71 VanDerWaalsContact O-N 3.09Å; H62-I198 HydrophobicContact CB-CB 3.92Å; H62-I198 HydrophobicContact CB-CD1 4.11Å; H62-I198 HydrophobicContact CB-CG1 4.49Å
63	P	98.5	Very high	98.2	Very high	7 Å²	7	35.1 Å²	35.1	5%	0.045	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	144.6	172.5	31.4	-30.1	0	0	0	111.9	L65 F70 F152 I198 V241	P63-L65 HydrophobicContact CB-CD1 4.04Å; P63-L65 HydrophobicContact CG-CD1 4.34Å; P63-F70 HydrophobicContact CB-CB 4.22Å; P63-F152 HydrophobicContact CB-CE1 3.76Å; P63-F152 HydrophobicContact CB-CZ 3.7Å; P63-F152 HydrophobicContact CG-CE1 4.32Å; P63-F152 HydrophobicContact CG-CZ 3.98Å; P63-I198 WeakPolarHBondContact CD-O 3.22Å; P63-V241 HydrophobicContact CG-CB 4.35Å; P63-V241 HydrophobicContact CG-CG2 3.72Å
64	N	98.1	Very high	98.3	Very high	55 Å²	55	33.8 Å²	33.8	29%	0.294	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	107.8	169.3	-173.8	-34.2	0	0	0	109.7	T66 S67 L68 D69	N64-T66 PolarHBondContact O-N 3.35Å; N64-T66 WeakPolarHBondContact OD1-CA 3.45Å; N64-T66 VanDerWaalsContact OD1-CB 3.26Å; N64-T66 WeakPolarHBondContact OD1-CB 3.3Å; N64-T66 PolarHBondContact OD1-N 3.05Å; N64-S67 VanDerWaalsContact CB-OG 3.22Å; N64-S67 WeakPolarHBondContact CB-OG 3.27Å; N64-S67 PolarHBondContact ND2-OG 2.77Å; N64-S67 PolarHBondContact OD1-N 2.82Å; N64-S67 VanDerWaalsContact OD1-N 3.1Å; N64-S67 PolarHBondContact OD1-OG 3.48Å; N64-L68 VanDerWaalsContact O-CA 3.29Å; N64-L68 WeakPolarHBondContact O-CA 3.49Å; N64-L68 PolarHBondContact O-N 2.94Å; N64-D69 PolarHBondContact N-O 3.43Å; N64-D69 PolarHBondContact O-N 3.13Å
65	L	97.7	Very high	98.3	Very high	14 Å²	14	37.5 Å²	37.5	7%	0.073	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-1.9	-177.5	-80.1	64.3	0	0	0	113	P63 L68 A166 A168 V241	P63-L65 HydrophobicContact CB-CD1 4.04Å; P63-L65 HydrophobicContact CG-CD1 4.34Å; L65-L68 WeakPolarHBondContact O-CD2 3.5Å; L65-A166 HydrophobicContact CB-CB 4.39Å; L65-A168 HydrophobicContact CD1-CB 4.13Å; L65-A168 HydrophobicContact CG-CB 4.45Å; L65-V241 HydrophobicContact CD1-CB 4.25Å; L65-V241 HydrophobicContact CD1-CG1 3.93Å; L65-V241 HydrophobicContact CD2-CG1 4.18Å
66	T	95.3	Very high	98.4	Very high	102 Å²	102	34 Å²	34	63%	0.626	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-50.4	173.6	-51.4	0	0	0	0	111.3	N64 L68	N64-T66 PolarHBondContact O-N 3.35Å; N64-T66 WeakPolarHBondContact OD1-CA 3.45Å; N64-T66 VanDerWaalsContact OD1-CB 3.26Å; N64-T66 WeakPolarHBondContact OD1-CB 3.3Å; N64-T66 PolarHBondContact OD1-N 3.05Å; T66-L68 VanDerWaalsContact C-N 3.32Å
67	S	97.1	Very high	98.3	Very high	61 Å²	61	32.8 Å²	32.8	43%	0.427	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-14.1	175.2	41.8	0	0	0	0	113.4	N64 D69	N64-S67 VanDerWaalsContact CB-OG 3.22Å; N64-S67 WeakPolarHBondContact CB-OG 3.27Å; N64-S67 PolarHBondContact ND2-OG 2.77Å; N64-S67 PolarHBondContact OD1-N 2.82Å; N64-S67 VanDerWaalsContact OD1-N 3.1Å; N64-S67 PolarHBondContact OD1-OG 3.48Å; S67-D69 VanDerWaalsContact C-N 3.29Å; S67-D69 WeakPolarHBondContact CB-OD1 3.36Å; S67-D69 PolarHBondContact O-N 3.32Å; S67-D69 VanDerWaalsContact OG-CG 3.29Å; S67-D69 PolarHBondContact OG-OD1 3.02Å; S67-D69 PolarHBondContact OG-OD2 3.49Å
68	L	97.6	Very high	98.3	Very high	55 Å²	55	32.8 Å²	32.8	29%	0.288	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	61	37	-178.9	-54.3	172.3	0	0	0	113	N64 L65 T66 L145 K154	N64-L68 VanDerWaalsContact O-CA 3.29Å; N64-L68 WeakPolarHBondContact O-CA 3.49Å; N64-L68 PolarHBondContact O-N 2.94Å; L65-L68 WeakPolarHBondContact O-CD2 3.5Å; T66-L68 VanDerWaalsContact C-N 3.32Å; L68-L145 HydrophobicContact CD2-CD1 4.4Å; L68-L145 WeakPolarHBondContact O-CB 3.5Å; L68-L145 PolarHBondContact O-N 2.95Å; L68-K154 HydrophobicContact CD1-CD 3.79Å; L68-K154 HydrophobicContact CD2-CB 4.39Å; L68-K154 HydrophobicContact CD2-CD 4.18Å; L68-K154 HydrophobicContact CG-CD 4.4Å
69	D	98.4	Very high	98.2	Very high	61 Å²	61	33.4 Å²	33.4	33%	0.326	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	171.7	175.9	58.6	13.7	0	0	0	111.1	N64 S67 A143	N64-D69 PolarHBondContact N-O 3.43Å; N64-D69 PolarHBondContact O-N 3.13Å; S67-D69 VanDerWaalsContact C-N 3.29Å; S67-D69 WeakPolarHBondContact CB-OD1 3.36Å; S67-D69 PolarHBondContact O-N 3.32Å; S67-D69 VanDerWaalsContact OG-CG 3.29Å; S67-D69 PolarHBondContact OG-OD1 3.02Å; S67-D69 PolarHBondContact OG-OD2 3.49Å; D69-A143 WeakPolarHBondContact CA-O 3.43Å
70	F	98.8	Very high	98.1	Very high	3 Å²	3	33.5 Å²	33.5	1%	0.013	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	150.8	173.7	67.2	-83.9	0	0	0	111.7	I61 H62 P63 F141 A142 A143 L145 F152 A180	I61-F70 HydrophobicContact CG2-CD2 4.26Å; H62-F70 VanDerWaalsContact O-CA 3.31Å; H62-F70 WeakPolarHBondContact O-CA 3.31Å; P63-F70 HydrophobicContact CB-CB 4.22Å; F70-F141 HydrophobicContact CD2-CE2 4.31Å; F70-F141 HydrophobicContact CE2-CD2 4.14Å; F70-F141 AromaticContact CE2-CE2 3.88Å; F70-F141 HydrophobicContact CE2-CE2 3.88Å; F70-A142 WeakPolarHBondContact O-CA 3.23Å; F70-A143 HydrophobicContact CD1-CB 4.47Å; F70-A143 WeakPolarHBondContact CD1-O 3.25Å; F70-A143 HydrophobicContact CE1-CB 3.73Å; F70-A143 HydrophobicContact CE2-CB 4.26Å; F70-A143 HydrophobicContact CZ-CB 3.61Å; F70-A143 PolarHBondContact N-O 2.81Å; F70-A143 PolarHBondContact O-N 3.25Å; F70-L145 HydrophobicContact CD1-CD2 3.89Å; F70-L145 HydrophobicContact CD1-CG 4.42Å; F70-L145 HydrophobicContact CE1-CD2 4.43Å; F70-F152 HydrophobicContact CB-CD1 4.32Å; F70-F152 HydrophobicContact CB-CE1 4.02Å; F70-F152 AromaticContact CD1-CD1 3.61Å; F70-F152 HydrophobicContact CD1-CD1 3.61Å; F70-F152 HydrophobicContact CD1-CE1 4.13Å; F70-F152 HydrophobicContact CD2-CD1 4.02Å; F70-F152 HydrophobicContact CD2-CE1 4.37Å; F70-F152 HydrophobicContact CE1-CB 4.27Å; F70-F152 AromaticContact CE1-CD1 3.78Å; F70-F152 HydrophobicContact CE1-CD1 3.78Å; F70-F152 HydrophobicContact CE1-CG 4.47Å; F70-F152 HydrophobicContact CE2-CD1 4.18Å; F70-F152 AromaticContact CG-CD1 3.73Å; F70-F152 HydrophobicContact CG-CD1 3.73Å; F70-F152 AromaticContact CG-CE1 3.93Å; F70-F152 HydrophobicContact CG-CE1 3.93Å; F70-F152 HydrophobicContact CZ-CB 4.35Å; F70-F152 HydrophobicContact CZ-CD1 4.05Å; F70-A180 WeakPolarHBondContact CE2-O 3.08Å
71	T	98.8	Very high	97.9	Very high	73 Å²	73	37 Å²	37	45%	0.448	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	157.4	165.4	60.2	0	0	0	0	109.7	H62 F141 A142	H62-T71 PolarHBondContact N-O 2.84Å; H62-T71 PolarHBondContact O-N 2.66Å; H62-T71 VanDerWaalsContact O-N 3.09Å; T71-F141 CarbonylContact C-O 3.49Å; T71-F141 WeakPolarHBondContact CA-O 3.21Å; T71-A142 HydrophobicContact CG2-CB 4.06Å
72	G	98.6	Very high	97.8	Very high	12 Å²	12	42.3 Å²	42.3	12%	0.124	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	167.5	176.4	0	0	0	0	0	113.6	A60 E140 F141	A60-G72 CarbonylContact O-C 3.55Å; A60-G72 WeakPolarHBondContact O-CA 3.33Å; G72-E140 WeakPolarHBondContact O-CA 3.26Å; G72-F141 PolarHBondContact N-O 2.58Å; G72-F141 PolarHBondContact O-N 3.45Å
73	M	98.8	Very high	97.8	Very high	36 Å²	36	44.5 Å²	44.5	18%	0.177	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	131.3	172.5	-179.4	-79.7	-64.4	0	0	108	A60 R75 Q138 L139 E140	A60-M73 PolarHBondContact N-O 3.23Å; A60-M73 PolarHBondContact O-N 2.89Å; M73-R75 HydrophobicContact SD-CB 4.14Å; M73-Q138 HydrophobicContact CG-CG 3.95Å; M73-Q138 HydrophobicContact SD-CG 3.69Å; M73-L139 WeakPolarHBondContact CA-O 3.49Å; M73-E140 HydrophobicContact CB-CG 4.32Å; M73-E140 HydrophobicContact CG-CG 4.18Å
74	V	98.8	Very high	97.7	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	132.8	173.4	65.1	0	0	0	0	109.1	Y57 D58 L59 I76 Q138 L139 F141 P182	Y57-V74 HydrophobicContact CD1-CG2 3.83Å; D58-V74 WeakPolarHBondContact O-CA 3.28Å; L59-V74 HydrophobicContact CD1-CB 3.91Å; L59-V74 HydrophobicContact CD1-CG2 4.08Å; V74-I76 HydrophobicContact CG2-CD1 4.32Å; V74-I76 HydrophobicContact CG2-CG1 3.76Å; V74-Q138 CarbonylContact O-C 3.55Å; V74-Q138 VanDerWaalsContact O-CA 3.3Å; V74-Q138 WeakPolarHBondContact O-CA 3.44Å; V74-L139 HydrophobicContact CG1-CB 4.01Å; V74-L139 HydrophobicContact CG1-CD1 3.96Å; V74-L139 PolarHBondContact N-O 2.82Å; V74-L139 PolarHBondContact O-N 3.29Å; V74-F141 HydrophobicContact CB-CE1 4Å; V74-F141 HydrophobicContact CG1-CD1 4.38Å; V74-F141 HydrophobicContact CG1-CE1 3.99Å; V74-P182 HydrophobicContact CG1-CB 4.4Å; V74-P182 HydrophobicContact CG1-CG 4.31Å
75	R	98.8	Very high	97.6	Very high	84 Å²	84	44.8 Å²	44.8	32%	0.317	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	122.1	168.3	179.7	-175.8	-68.1	-174.8	2.4	108.9	Y57 D58 M73 L102 E136 V137	Y57-R75 CarbonylContact C-O 3.52Å; Y57-R75 WeakPolarHBondContact CA-O 3.39Å; D58-R75 HydrophobicContact CB-CB 4.3Å; D58-R75 PolarHBondContact N-O 3.47Å; D58-R75 PolarHBondContact O-N 2.78Å; M73-R75 HydrophobicContact SD-CB 4.14Å; R75-L102 HydrophobicContact CG-CD1 4.39Å; R75-E136 VanDerWaalsContact CD-OE2 3.3Å; R75-E136 WeakPolarHBondContact CD-OE2 3.42Å; R75-E136 HydrophobicContact CG-CB 4.18Å; R75-V137 CarbonylContact C-O 3.31Å; R75-V137 VanDerWaalsContact CA-O 3.29Å; R75-V137 WeakPolarHBondContact CA-O 3.18Å
76	I	98.8	Very high	97.6	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	114.5	-174	-43.2	174.9	0	0	0	108.7	P54 H56 Y57 V74 L78 L89 E136 V137 L139 F184	P54-I76 HydrophobicContact CB-CG2 3.88Å; H56-I76 CarbonylContact O-C 3.59Å; H56-I76 WeakPolarHBondContact O-CA 3.27Å; Y57-I76 HydrophobicContact CD1-CB 4.37Å; Y57-I76 HydrophobicContact CD1-CD1 4.09Å; Y57-I76 HydrophobicContact CD1-CG1 3.68Å; Y57-I76 HydrophobicContact CD1-CG2 4.06Å; Y57-I76 HydrophobicContact CE1-CB 4.37Å; Y57-I76 HydrophobicContact CE1-CD1 3.61Å; Y57-I76 HydrophobicContact CE1-CG1 3.71Å; Y57-I76 HydrophobicContact CE1-CG2 3.79Å; Y57-I76 HydrophobicContact CE2-CG2 4.48Å; Y57-I76 HydrophobicContact CG-CG2 4.5Å; V74-I76 HydrophobicContact CG2-CD1 4.32Å; V74-I76 HydrophobicContact CG2-CG1 3.76Å; I76-L78 HydrophobicContact CB-CD2 4.26Å; I76-L78 HydrophobicContact CG2-CD2 3.86Å; I76-L89 HydrophobicContact CD1-CD2 4.17Å; I76-E136 CarbonylContact O-C 3.53Å; I76-E136 WeakPolarHBondContact O-CA 3.08Å; I76-V137 HydrophobicContact CB-CG2 3.83Å; I76-V137 HydrophobicContact CD1-CG2 4.14Å; I76-V137 HydrophobicContact CG1-CG2 4.18Å; I76-V137 PolarHBondContact N-O 3.25Å; I76-V137 PolarHBondContact O-N 3.44Å; I76-L139 HydrophobicContact CD1-CD1 4.49Å; I76-F184 HydrophobicContact CG2-CE2 4.31Å
77	S	98.6	Very high	97.7	Very high	23 Å²	23	41.7 Å²	41.7	16%	0.161	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	130	169.7	-48.4	0	0	0	0	109.4	L55 H56 E136	L55-S77 PolarHBondContact N-O 3.32Å; H56-S77 PolarHBondContact O-N 3.01Å; S77-E136 PolarHBondContact OG-OE1 3.31Å
78	L	97.7	Very high	97.8	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	142.2	-170.8	-56.1	-177.8	0	0	0	112.2	I52 I76 V87 Y135 V137 F184	I52-L78 HydrophobicContact CG2-CB 3.96Å; I52-L78 HydrophobicContact CG2-CD1 4.18Å; I52-L78 HydrophobicContact CG2-CD2 3.89Å; I52-L78 HydrophobicContact CG2-CG 4.23Å; I76-L78 HydrophobicContact CB-CD2 4.26Å; I76-L78 HydrophobicContact CG2-CD2 3.86Å; L78-V87 HydrophobicContact CD1-CG1 4.37Å; L78-V87 HydrophobicContact CD1-CG2 4.11Å; L78-Y135 PolarHBondContact N-O 2.69Å; L78-V137 HydrophobicContact CD1-CG1 3.81Å; L78-V137 HydrophobicContact CD1-CG2 4.27Å; L78-V137 HydrophobicContact CD2-CG2 4.26Å; L78-V137 HydrophobicContact CG-CG2 4.47Å; L78-F184 HydrophobicContact CD2-CE2 3.93Å; L78-F184 HydrophobicContact CD2-CZ 4.1Å
79	D	96.2	Very high	97.9	Very high	42 Å²	42	36.5 Å²	36.5	23%	0.225	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	107.5	165.3	-171.9	6.9	0	0	0	109.8	I52 S53 L55 K81	I52-D79 WeakPolarHBondContact CA-O 3.33Å; S53-D79 PolarHBondContact N-O 3.43Å; S53-D79 PolarHBondContact O-N 2.72Å; L55-D79 HydrophobicContact CD1-CB 3.93Å; L55-D79 HydrophobicContact CD2-CB 3.87Å; L55-D79 HydrophobicContact CG-CB 3.77Å; D79-K81 PolarHBondContact O-N 2.87Å; D79-K81 VanDerWaalsContact OD2-CE 3.23Å; D79-K81 WeakPolarHBondContact OD2-CE 3.49Å; D79-K81 IonicContact OD2-NZ 2.92Å; D79-K81 PolarHBondContact OD2-NZ 3.5Å
80	V	96.9	Very high	97.9	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	108.9	-179	-175.5	0	0	0	0	109	I52 E82 L129 K131 G132 Y135	I52-V80 HydrophobicContact CG1-CG2 4.47Å; V80-E82 WeakPolarHBondContact CG1-O 3.21Å; V80-L129 HydrophobicContact CG1-CB 4.33Å; V80-L129 HydrophobicContact CG2-CB 4.12Å; V80-K131 WeakPolarHBondContact O-CA 3.04Å; V80-G132 PolarHBondContact O-N 3.12Å; V80-Y135 HydrophobicContact CG2-CD2 3.65Å; V80-Y135 HydrophobicContact CG2-CE2 4.05Å
81	K	95.5	Very high	97.8	Very high	89 Å²	89	34 Å²	34	39%	0.387	18%	0.18	S	C	.	.	S	Bend	trans	-83.1	-30.9	-179	-57.1	-57.6	-167.5	179.3	0	112.5	T51 D79 K131	T51-K81 WeakPolarHBondContact O-CB 3.12Å; T51-K81 PolarHBondContact O-N 2.87Å; D79-K81 PolarHBondContact O-N 2.87Å; D79-K81 VanDerWaalsContact OD2-CE 3.23Å; D79-K81 WeakPolarHBondContact OD2-CE 3.49Å; D79-K81 IonicContact OD2-NZ 2.92Å; D79-K81 PolarHBondContact OD2-NZ 3.5Å; K81-K131 WeakPolarHBondContact O-CD 3.28Å; K81-K131 WeakPolarHBondContact O-CE 3.3Å; K81-K131 WeakPolarHBondContact O-CG 3.2Å; K81-K131 PolarHBondContact O-NZ 3.13Å
82	E	96.7	Very high	97.7	Very high	112 Å²	112	32.3 Å²	32.3	52%	0.523	17%	0.166	S	C	.	.	S	Bend	trans	-141.3	146.4	-179.6	-63.2	-177.1	-171.7	0	0	110.2	T51 V80 T84	T51-E82 HydrophobicContact CG2-CB 4.21Å; T51-E82 PolarHBondContact O-N 3.01Å; V80-E82 WeakPolarHBondContact CG1-O 3.21Å; E82-T84 PolarHBondContact O-N 2.97Å
83	D	97.6	Very high	97.5	Very high	103 Å²	103	39.7 Å²	39.7	55%	0.551	20%	0.197	S	C	*	.			trans	-59.4	123.3	178.3	-74.5	3	0	0	0	110.3	V128 L129 T130 K131	D83-V128 HydrophobicContact CB-CG1 3.9Å; D83-L129 WeakPolarHBondContact CA-O 3.37Å; D83-T130 WeakPolarHBondContact OD1-CA 3.41Å; D83-K131 WeakPolarHBondContact OD1-CB 3.45Å; D83-K131 PolarHBondContact OD1-N 3.45Å
84	T	97.3	Very high	97.4	Very high	22 Å²	22	38.7 Å²	38.7	14%	0.135	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	154	-177.1	179.7	0	0	0	0	111	I52 E82 I86 L129	I52-T84 HydrophobicContact CD1-CG2 3.66Å; I52-T84 HydrophobicContact CG1-CG2 3.89Å; E82-T84 PolarHBondContact O-N 2.97Å; T84-I86 PolarHBondContact OG1-N 3.05Å; T84-I86 PolarHBondContact OG1-O 3.23Å; T84-I86 VanDerWaalsContact OG1-O 3.13Å; T84-L129 PolarHBondContact N-O 2.96Å; T84-L129 WeakPolarHBondContact O-CA 3.35Å; T84-L129 WeakPolarHBondContact O-CB 3.18Å; T84-L129 WeakPolarHBondContact O-CG 3.5Å; T84-L129 PolarHBondContact O-N 3.45Å
85	S	96.5	Very high	97.3	Very high	47 Å²	47	44.8 Å²	44.8	33%	0.329	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	3.7	169.6	55	0	0	0	0	113	S125	S85-S125 WeakPolarHBondContact CB-O 3.26Å; S85-S125 PolarHBondContact O-N 3.18Å
86	I	97.1	Very high	97.3	Very high	48 Å²	48	42.4 Å²	42.4	25%	0.246	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	131.2	-170.4	-58.8	152.3	0	0	0	109.3	P42 T84 V88 A122 L124	P42-I86 HydrophobicContact CB-CD1 3.8Å; P42-I86 HydrophobicContact CB-CG1 4.46Å; P42-I86 HydrophobicContact CB-CG2 4.39Å; P42-I86 HydrophobicContact CG-CD1 4.39Å; P42-I86 HydrophobicContact CG-CG2 3.83Å; T84-I86 PolarHBondContact OG1-N 3.05Å; T84-I86 PolarHBondContact OG1-O 3.23Å; T84-I86 VanDerWaalsContact OG1-O 3.13Å; I86-V88 HydrophobicContact CG2-CG2 3.73Å; I86-A122 HydrophobicContact CG2-CB 4.37Å; I86-L124 HydrophobicContact CB-CD2 4.49Å; I86-L124 HydrophobicContact CG1-CD2 3.84Å; I86-L124 HydrophobicContact CG2-CD2 4.16Å
87	V	98.2	Very high	97.2	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.018	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	118.4	167.3	-169.5	0	0	0	0	107.9	I52 L78 A122 L123 L129 V137 F184	I52-V87 HydrophobicContact CD1-CB 4.26Å; I52-V87 HydrophobicContact CD1-CG1 4.27Å; I52-V87 HydrophobicContact CD1-CG2 3.7Å; L78-V87 HydrophobicContact CD1-CG1 4.37Å; L78-V87 HydrophobicContact CD1-CG2 4.11Å; V87-A122 CarbonylContact O-C 3.53Å; V87-A122 WeakPolarHBondContact O-CA 3.3Å; V87-L123 HydrophobicContact CB-CB 4.14Å; V87-L123 HydrophobicContact CB-CD1 4.33Å; V87-L123 HydrophobicContact CB-CG 4.33Å; V87-L123 PolarHBondContact N-O 3.02Å; V87-L123 PolarHBondContact O-N 2.96Å; V87-L129 HydrophobicContact CG2-CD1 3.87Å; V87-V137 HydrophobicContact CG2-CG1 4.45Å; V87-F184 HydrophobicContact CG1-CZ 3.77Å
88	V	98.5	Very high	97.2	Very high	7 Å²	7	47.5 Å²	47.5	4%	0.042	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	129.5	174.6	-171	0	0	0	0	108.9	F41 W43 L48 P49 I86 Q120 L121 A122 F184	F41-V88 HydrophobicContact CE1-CG1 4.43Å; F41-V88 HydrophobicContact CZ-CG1 4.3Å; W43-V88 HydrophobicContact CB-CG1 4.44Å; W43-V88 HydrophobicContact CB-CG2 4.05Å; W43-V88 HydrophobicContact CG-CG1 4.41Å; W43-V88 HydrophobicContact CG-CG2 4.35Å; L48-V88 HydrophobicContact CD2-CB 4.47Å; L48-V88 HydrophobicContact CD2-CG1 3.92Å; P49-V88 HydrophobicContact CG-CB 3.94Å; P49-V88 HydrophobicContact CG-CG2 3.93Å; I86-V88 HydrophobicContact CG2-CG2 3.73Å; V88-Q120 HydrophobicContact CG1-CB 4.32Å; V88-Q120 HydrophobicContact CG1-CG 4.36Å; V88-L121 VanDerWaalsContact CA-O 3.3Å; V88-L121 WeakPolarHBondContact CA-O 3.34Å; V88-A122 HydrophobicContact CG2-CB 4.5Å; V88-F184 WeakPolarHBondContact O-CE1 3.32Å
89	L	98.7	Very high	97.2	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	172.3	179.3	61.1	81.4	0	0	0	110.8	I76 Q120 L121 L123 P182 F184	I76-L89 HydrophobicContact CD1-CD2 4.17Å; L89-Q120 CarbonylContact O-C 3.54Å; L89-Q120 VanDerWaalsContact O-CA 3.32Å; L89-Q120 WeakPolarHBondContact O-CA 3.41Å; L89-L121 HydrophobicContact CD1-CB 4.11Å; L89-L121 HydrophobicContact CD1-CD1 4.03Å; L89-L121 HydrophobicContact CD1-CG 4.43Å; L89-L121 PolarHBondContact N-O 3.14Å; L89-L121 PolarHBondContact O-N 2.83Å; L89-L123 HydrophobicContact CD2-CD1 3.98Å; L89-P182 HydrophobicContact CD1-CB 3.66Å; L89-F184 HydrophobicContact CB-CD2 4.45Å; L89-F184 HydrophobicContact CB-CE2 4.42Å; L89-F184 HydrophobicContact CB-CZ 4.49Å
90	H	98.8	Very high	97.3	Very high	4 Å²	4	47 Å²	47	2%	0.019	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	141.6	-179.3	-63.9	122	0	0	0	113.1	L48 H119 R178 P182 C183 D185 E186	L48-H90 VanDerWaalsContact CG-CE1 3.45Å; L48-H90 WeakPolarHBondContact CG-CE1 3.43Å; H90-H119 CarbonylContact C-O 3.57Å; H90-H119 WeakPolarHBondContact CA-O 3.4Å; H90-H119 PolarHBondContact CD2-O 2.93Å; H90-R178 HydrophobicContact CB-CB 3.63Å; H90-R178 HydrophobicContact CB-CG 4.46Å; H90-R178 PolarHBondContact CD2-NH1 2.95Å; H90-R178 PolarHBondContact CE1-NH2 2.79Å; H90-R178 VanDerWaalsContact CG-CZ 3.45Å; H90-R178 PolarHBondContact ND1-NH2 2.77Å; H90-R178 PolarHBondContact NE2-NH1 2.94Å; H90-P182 CarbonylContact O-C 3.59Å; H90-P182 VanDerWaalsContact O-CA 3.3Å; H90-P182 WeakPolarHBondContact O-CA 3.32Å; H90-C183 WeakPolarHBondContact CA-O 3.32Å; H90-C183 WeakPolarHBondContact CB-O 3.46Å; H90-C183 PolarHBondContact N-O 2.85Å; H90-C183 PolarHBondContact O-N 3.08Å; H90-D185 HydrophobicContact CB-CB 3.87Å; H90-D185 PolarHBondContact ND1-N 3.43Å; H90-E186 IonicContact CE1-OE1 3.08Å
91	A	98.1	Very high	97.3	Very high	7 Å²	7	47 Å²	47	6%	0.058	24%	0.241	C	C	.	.			trans	-154.7	142.1	164.4	0	0	0	0	0	109.6	M94 H119 L121 R178 P182	A91-M94 HydrophobicContact CB-CG 4.26Å; A91-M94 HydrophobicContact CB-SD 4Å; A91-H119 PolarHBondContact N-O 2.99Å; A91-H119 CarbonylContact O-C 3.42Å; A91-H119 VanDerWaalsContact O-C 3.31Å; A91-H119 WeakPolarHBondContact O-CA 3.49Å; A91-H119 VanDerWaalsContact O-O 3.12Å; A91-L121 HydrophobicContact CB-CD1 3.47Å; A91-L121 VanDerWaalsContact CB-CD1 3.47Å; A91-L121 HydrophobicContact CB-CD2 4.49Å; A91-L121 HydrophobicContact CB-CG 3.75Å; A91-R178 CarbonylContact C-O 3.46Å; A91-R178 WeakPolarHBondContact CA-O 3.26Å; A91-P182 HydrophobicContact CB-CB 4.37Å
92	K	96.2	Very high	97.3	Very high	38 Å²	38	44.4 Å²	44.4	17%	0.165	23%	0.231	C	C	.	.			trans	-134	127.6	-179.2	-178.4	-178.3	179.7	-170.7	0	109.9	M94 H119 R178	K92-M94 PolarHBondContact O-N 2.88Å; K92-H119 HydrophobicContact CB-CB 4.29Å; K92-R178 HydrophobicContact CB-CG 4.02Å; K92-R178 PolarHBondContact N-O 2.8Å
93	Q	93.8	Very high	97	Very high	166 Å²	166	39.7 Å²	39.7	78%	0.776	21%	0.211	S	C	*	.	S	Bend	trans	54	45.6	168.7	-65.3	176.3	-13.1	0	0	114.7
94	M	96.4	Very high	96.4	Very high	16 Å²	16	39.1 Å²	39.1	8%	0.079	21%	0.214	C	C	.	.			trans	-138.2	149.7	176.9	62.4	-177.5	65	0	0	111.2	A91 K92 I96 F141 A143 R178 P182	A91-M94 HydrophobicContact CB-CG 4.26Å; A91-M94 HydrophobicContact CB-SD 4Å; K92-M94 PolarHBondContact O-N 2.88Å; M94-I96 HydrophobicContact CG-CD1 3.68Å; M94-I96 HydrophobicContact CG-CG1 4.42Å; M94-I96 HydrophobicContact SD-CD1 3.72Å; M94-F141 HydrophobicContact SD-CB 4.25Å; M94-F141 HydrophobicContact SD-CG 4.44Å; M94-A143 HydrophobicContact CB-CB 3.93Å; M94-R178 WeakPolarHBondContact CE-O 3.38Å; M94-P182 HydrophobicContact SD-CG 3.7Å
95	H	97.8	Very high	95.8	Very high	127 Å²	127	42.8 Å²	42.8	59%	0.588	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	117.4	174.4	176.4	-81.7	0	0	0	109.8	F141 A142	H95-F141 CarbonylContact O-C 3.44Å; H95-F141 WeakPolarHBondContact O-CA 3.45Å; H95-A142 PolarHBondContact N-O 3.41Å; H95-A142 PolarHBondContact O-N 2.98Å
96	I	97.9	Very high	95.5	Very high	34 Å²	34	42.1 Å²	42.1	17%	0.174	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	134.4	179.6	-54.6	-60.7	0	0	0	110.7	M94 V99 L121 L139 F141 P182	M94-I96 HydrophobicContact CG-CD1 3.68Å; M94-I96 HydrophobicContact CG-CG1 4.42Å; M94-I96 HydrophobicContact SD-CD1 3.72Å; I96-V99 HydrophobicContact CG2-CG2 3.44Å; I96-V99 VanDerWaalsContact CG2-CG2 3.44Å; I96-L121 HydrophobicContact CD1-CD1 4.1Å; I96-L121 HydrophobicContact CG1-CD1 3.83Å; I96-L139 HydrophobicContact CG2-CD2 4.14Å; I96-F141 HydrophobicContact CD1-CB 3.96Å; I96-P182 HydrophobicContact CD1-CG 3.6Å
97	S	97.5	Very high	95.4	Very high	45 Å²	45	44.6 Å²	44.6	32%	0.315	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	166.6	176	53.2	0	0	0	0	112.1	V99 E140	S97-V99 PolarHBondContact O-N 2.98Å; S97-E140 PolarHBondContact N-O 2.8Å; S97-E140 PolarHBondContact O-N 2.98Å; S97-E140 VanDerWaalsContact O-O 3.06Å
98	N	96.9	Very high	95.2	Very high	85 Å²	85	48.8 Å²	48.8	46%	0.455	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	47.5	53.2	173.3	-162.5	22.8	0	0	0	114.6	E140	N98-E140 HydrophobicContact CB-CB 4.24Å; N98-E140 HydrophobicContact CB-CG 4.11Å; N98-E140 PolarHBondContact ND2-OE1 3.44Å
99	V	98.2	Very high	95.1	Very high	14 Å²	14	53.7 Å²	53.7	9%	0.085	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	116.5	-179.1	-175.7	0	0	0	0	110.5	I96 S97 L110 V112 L123 Q138 L139	I96-V99 HydrophobicContact CG2-CG2 3.44Å; I96-V99 VanDerWaalsContact CG2-CG2 3.44Å; S97-V99 PolarHBondContact O-N 2.98Å; V99-L110 HydrophobicContact CG1-CB 3.85Å; V99-L110 HydrophobicContact CG1-CD1 4.13Å; V99-L110 PolarHBondContact O-N 2.86Å; V99-V112 HydrophobicContact CB-CG2 3.78Å; V99-V112 HydrophobicContact CG1-CG2 3.98Å; V99-V112 HydrophobicContact CG2-CG2 3.57Å; V99-L123 HydrophobicContact CG1-CD1 4.26Å; V99-L123 HydrophobicContact CG1-CD2 4.06Å; V99-Q138 WeakPolarHBondContact CA-O 3.12Å; V99-L139 HydrophobicContact CG1-CD2 4.21Å; V99-L139 HydrophobicContact CG1-CG 4.12Å; V99-L139 HydrophobicContact CG2-CB 4.42Å; V99-L139 HydrophobicContact CG2-CD2 4Å; V99-L139 HydrophobicContact CG2-CG 4.13Å
100	V	98.1	Very high	95	Very high	18 Å²	18	54.5 Å²	54.5	11%	0.109	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	145.4	-178.6	-60.2	0	0	0	0	112.4	L102 V107 R108 V137 Q138	V100-L102 HydrophobicContact CG2-CD2 4.16Å; V100-V107 HydrophobicContact CB-CG1 3.88Å; V100-V107 HydrophobicContact CG1-CG1 4.21Å; V100-V107 HydrophobicContact CG2-CG1 4.1Å; V100-R108 CarbonylContact C-O 3.52Å; V100-R108 VanDerWaalsContact CA-O 3.28Å; V100-R108 WeakPolarHBondContact CA-O 3.28Å; V100-V137 WeakPolarHBondContact O-CA 3.46Å; V100-Q138 HydrophobicContact CG2-CB 3.8Å; V100-Q138 PolarHBondContact N-O 2.84Å; V100-Q138 PolarHBondContact O-N 2.81Å
101	L	97.6	Very high	94.9	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.005	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	123.3	166.3	-175.2	71.7	0	0	0	109.1	A103 V107 R108 L110 L129 Y135 E136 V137	L101-A103 HydrophobicContact CD2-CB 4.1Å; L101-A103 HydrophobicContact CG-CB 4.23Å; L101-A103 PolarHBondContact O-N 2.94Å; L101-V107 WeakPolarHBondContact O-CA 3.42Å; L101-R108 PolarHBondContact N-O 2.67Å; L101-R108 PolarHBondContact O-N 2.72Å; L101-L110 HydrophobicContact CB-CD1 3.98Å; L101-L110 HydrophobicContact CB-CD2 3.93Å; L101-L110 HydrophobicContact CB-CG 3.92Å; L101-L129 HydrophobicContact CD1-CD2 4.07Å; L101-L129 HydrophobicContact CD2-CD2 3.63Å; L101-Y135 HydrophobicContact CD1-CD1 4.22Å; L101-Y135 HydrophobicContact CD1-CG 4.48Å; L101-Y135 HydrophobicContact CD2-CD1 4.32Å; L101-Y135 HydrophobicContact CG-CD1 4.45Å; L101-E136 CarbonylContact C-O 3.59Å; L101-E136 WeakPolarHBondContact CA-O 3.48Å; L101-V137 HydrophobicContact CD1-CG1 3.95Å
102	L	95.3	Very high	94.9	Very high	35 Å²	35	62.7 Å²	62.7	18%	0.183	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	90.9	168.3	-50.2	179.1	0	0	0	107.4	R75 V100 V107 E136	R75-L102 HydrophobicContact CG-CD1 4.39Å; V100-L102 HydrophobicContact CG2-CD2 4.16Å; L102-V107 HydrophobicContact CD2-CB 4.25Å; L102-V107 HydrophobicContact CD2-CG1 3.9Å; L102-V107 HydrophobicContact CD2-CG2 3.59Å; L102-E136 HydrophobicContact CB-CB 4.1Å; L102-E136 HydrophobicContact CD1-CB 4.26Å; L102-E136 HydrophobicContact CG-CB 4.48Å; L102-E136 PolarHBondContact N-O 2.81Å; L102-E136 PolarHBondContact O-N 3.33Å; L102-E136 VanDerWaalsContact O-N 3.13Å
103	A	90.3	Very high	95	Very high	13 Å²	13	61 Å²	61	11%	0.107	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	159.6	177.7	0	0	0	0	0	110.9	L101 E105 G106 Y135	L101-A103 HydrophobicContact CD2-CB 4.1Å; L101-A103 HydrophobicContact CG-CB 4.23Å; L101-A103 PolarHBondContact O-N 2.94Å; A103-E105 WeakPolarHBondContact CB-OE2 3.43Å; A103-E105 PolarHBondContact O-N 2.89Å; A103-E105 VanDerWaalsContact O-N 3.13Å; A103-G106 PolarHBondContact N-O 2.93Å; A103-G106 PolarHBondContact O-N 3.4Å; A103-Y135 HydrophobicContact CB-CD1 3.88Å; A103-Y135 HydrophobicContact CB-CE1 3.97Å
104	P	84.7	Confident	95.1	Very high	92 Å²	92	56.9 Å²	56.9	60%	0.597	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-30.3	172.4	-25.9	34.9	0	0	0	113.4	G106	P104-G106 VanDerWaalsContact C-N 3.28Å; P104-G106 PolarHBondContact O-N 2.86Å
105	E	86.2	Confident	95.1	Very high	99 Å²	99	57.8 Å²	57.8	46%	0.463	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-3.9	179	-57	78.2	-168.9	0	0	113.7	A103 R133	A103-E105 WeakPolarHBondContact CB-OE2 3.43Å; A103-E105 PolarHBondContact O-N 2.89Å; A103-E105 VanDerWaalsContact O-N 3.13Å; E105-R133 IonicContact OE1-NH1 2.82Å; E105-R133 PolarHBondContact OE1-NH1 3.38Å
106	G	90.3	Very high	94.9	Very high	32 Å²	32	54.8 Å²	54.8	33%	0.33	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	123.9	176.8	180	0	0	0	0	0	114	A103 P104	A103-G106 PolarHBondContact N-O 2.93Å; A103-G106 PolarHBondContact O-N 3.4Å; P104-G106 VanDerWaalsContact C-N 3.28Å; P104-G106 PolarHBondContact O-N 2.86Å
107	V	94.5	Very high	94.6	Very high	101 Å²	101	60.3 Å²	60.3	61%	0.612	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78	131.3	179.1	-175.6	0	0	0	0	110.3	V100 L101 L102	V100-V107 HydrophobicContact CB-CG1 3.88Å; V100-V107 HydrophobicContact CG1-CG1 4.21Å; V100-V107 HydrophobicContact CG2-CG1 4.1Å; L101-V107 WeakPolarHBondContact O-CA 3.42Å; L102-V107 HydrophobicContact CD2-CB 4.25Å; L102-V107 HydrophobicContact CD2-CG1 3.9Å; L102-V107 HydrophobicContact CD2-CG2 3.59Å
108	R	94.4	Very high	94.4	Very high	91 Å²	91	58.9 Å²	58.9	34%	0.343	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	139.9	179.2	-59.3	-178	-175.7	-170.1	-2.2	110.8	V100 L101 S127	V100-R108 CarbonylContact C-O 3.52Å; V100-R108 VanDerWaalsContact CA-O 3.28Å; V100-R108 WeakPolarHBondContact CA-O 3.28Å; L101-R108 PolarHBondContact N-O 2.67Å; L101-R108 PolarHBondContact O-N 2.72Å; R108-S127 PolarHBondContact NH1-OG 2.96Å
109	P	95.8	Very high	94.4	Very high	110 Å²	110	57.1 Å²	57.1	71%	0.714	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.6	148.7	171.8	29.9	-34.1	0	0	0	110.8
110	L	97.1	Very high	94.4	Very high	16 Å²	16	56.5 Å²	56.5	8%	0.084	30%	0.301	C	S	.	.			trans	-110.7	140.6	171.3	-66.1	172.2	0	0	0	109.9	V99 L101 L123 L124 V137	V99-L110 HydrophobicContact CG1-CB 3.85Å; V99-L110 HydrophobicContact CG1-CD1 4.13Å; V99-L110 PolarHBondContact O-N 2.86Å; L101-L110 HydrophobicContact CB-CD1 3.98Å; L101-L110 HydrophobicContact CB-CD2 3.93Å; L101-L110 HydrophobicContact CB-CG 3.92Å; L110-L123 HydrophobicContact CB-CB 4.35Å; L110-L123 HydrophobicContact CD1-CB 3.87Å; L110-L123 HydrophobicContact CD1-CD1 4.26Å; L110-L124 WeakPolarHBondContact CD2-O 3.49Å; L110-V137 HydrophobicContact CD1-CG1 3.81Å
111	R	96.6	Very high	94.4	Very high	136 Å²	136	55.8 Å²	55.8	51%	0.513	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	135	169.1	-172.8	175.7	109.7	-154.7	-0.7	108.7	E39 L123 L124	E39-R111 IonicContact OE2-CZ 3.68Å; E39-R111 IonicContact OE2-NE 2.66Å; E39-R111 PolarHBondContact OE2-NE 3.18Å; E39-R111 IonicContact OE2-NH2 2.94Å; E39-R111 PolarHBondContact OE2-NH2 2.64Å; R111-L123 WeakPolarHBondContact O-CA 3.44Å; R111-L124 HydrophobicContact CB-CB 4.22Å; R111-L124 HydrophobicContact CB-CD1 4.43Å; R111-L124 PolarHBondContact N-O 3.21Å; R111-L124 VanDerWaalsContact N-O 3.14Å; R111-L124 PolarHBondContact O-N 3.44Å
112	V	97.4	Very high	94.4	Very high	47 Å²	47	55.7 Å²	55.7	29%	0.285	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	131.8	-178.8	-173.8	0	0	0	0	109.5	V99 L121 A122 L123	V99-V112 HydrophobicContact CB-CG2 3.78Å; V99-V112 HydrophobicContact CG1-CG2 3.98Å; V99-V112 HydrophobicContact CG2-CG2 3.57Å; V112-L121 HydrophobicContact CG1-CD2 4.17Å; V112-A122 WeakPolarHBondContact CA-O 3.26Å; V112-L123 HydrophobicContact CG1-CD2 4.22Å; V112-L123 HydrophobicContact CG2-CD2 4.12Å
113	L	97.6	Very high	94.5	Very high	3 Å²	3	54 Å²	54	2%	0.016	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	138.6	164.5	-59.8	178.6	0	0	0	108.8	A35 N37 E39 F41 L121 A122 L124	A35-L113 HydrophobicContact CB-CB 4.08Å; A35-L113 HydrophobicContact CB-CD2 4.45Å; N37-L113 VanDerWaalsContact ND2-CD2 3.3Å; N37-L113 WeakPolarHBondContact ND2-CD2 3.32Å; E39-L113 HydrophobicContact CB-CD2 4.29Å; E39-L113 WeakPolarHBondContact OE2-CD2 3.11Å; F41-L113 HydrophobicContact CD2-CB 3.95Å; F41-L113 HydrophobicContact CE2-CB 4.24Å; L113-L121 CarbonylContact O-C 3.11Å; L113-L121 WeakPolarHBondContact O-CA 3.46Å; L113-A122 HydrophobicContact CB-CB 4.36Å; L113-A122 PolarHBondContact N-O 3.08Å; L113-A122 PolarHBondContact O-N 2.06Å; L113-L124 HydrophobicContact CD1-CD1 3.9Å; L113-L124 HydrophobicContact CG-CD1 4.13Å
114	E	97.3	Very high	94.9	Very high	80 Å²	80	55 Å²	55	37%	0.374	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	134.1	177.8	-175.1	178.2	177.3	0	0	110	A35 A36 P116 L121	A35-E114 CarbonylContact C-O 3.58Å; A35-E114 VanDerWaalsContact CA-O 3.29Å; A35-E114 WeakPolarHBondContact CA-O 3.16Å; A35-E114 WeakPolarHBondContact CB-O 3.47Å; A36-E114 HydrophobicContact CB-CB 4.44Å; A36-E114 PolarHBondContact N-O 3.37Å; E114-P116 HydrophobicContact CG-CG 4.09Å; E114-L121 HydrophobicContact CB-CD2 3.84Å; E114-L121 HydrophobicContact CG-CD2 3.81Å
115	Y	96.6	Very high	95.4	Very high	35 Å²	35	51.4 Å²	51.4	14%	0.137	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	88.3	173	-175.1	-134.2	0	0	0	110.1	P33 F41 Q117 S118 H119 Q120	P33-Y115 HydrophobicContact CB-CD2 4.45Å; P33-Y115 HydrophobicContact CB-CE1 4.05Å; P33-Y115 HydrophobicContact CB-CE2 3.96Å; P33-Y115 HydrophobicContact CG-CE1 4.45Å; F41-Y115 HydrophobicContact CD1-CD1 4.1Å; F41-Y115 HydrophobicContact CD1-CG 4.17Å; F41-Y115 HydrophobicContact CE1-CD1 4.27Å; F41-Y115 HydrophobicContact CE1-CG 4.48Å; F41-Y115 HydrophobicContact CG-CG 4.22Å; Y115-Q117 VanDerWaalsContact C-N 3.3Å; Y115-Q117 HydrophobicContact CE1-CB 4.36Å; Y115-Q117 HydrophobicContact CE2-CB 3.86Å; Y115-Q117 HydrophobicContact CE2-CG 4.22Å; Y115-Q117 PolarHBondContact O-N 2.82Å; Y115-Q117 PolarHBondContact OH-OE1 3.33Å; Y115-S118 VanDerWaalsContact CE1-OG 3.28Å; Y115-S118 WeakPolarHBondContact CE1-OG 3.2Å; Y115-S118 PolarHBondContact O-N 2.88Å; Y115-H119 PolarHBondContact O-N 3.4Å; Y115-Q120 PolarHBondContact N-O 3.47Å; Y115-Q120 PolarHBondContact O-N 3.36Å; Y115-Q120 VanDerWaalsContact O-N 3.14Å
116	P	93.3	Very high	95.7	Very high	63 Å²	63	56.5 Å²	56.5	41%	0.409	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-61.1	-33	-171.9	-27.2	35.9	0	0	0	114.4	A36 E114 S118 H119	A36-P116 HydrophobicContact CB-CG 4.31Å; E114-P116 HydrophobicContact CG-CG 4.09Å; P116-S118 PolarHBondContact O-N 3.29Å; P116-H119 PolarHBondContact O-CD2 3.44Å; P116-H119 PolarHBondContact O-N 3.37Å
117	Q	90.3	Very high	95.7	Very high	151 Å²	151	56.5 Å²	56.5	71%	0.706	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-60.6	-31.9	-177.5	-70.8	-177.4	-27.1	0	0	113.3	Y115	Y115-Q117 VanDerWaalsContact C-N 3.3Å; Y115-Q117 HydrophobicContact CE1-CB 4.36Å; Y115-Q117 HydrophobicContact CE2-CB 3.86Å; Y115-Q117 HydrophobicContact CE2-CG 4.22Å; Y115-Q117 PolarHBondContact O-N 2.82Å; Y115-Q117 PolarHBondContact OH-OE1 3.33Å
118	S	93.4	Very high	95.7	Very high	14 Å²	14	55.7 Å²	55.7	10%	0.098	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-107.2	6.9	175.1	-62.5	0	0	0	0	113	Y115 P116 Q120	Y115-S118 VanDerWaalsContact CE1-OG 3.28Å; Y115-S118 WeakPolarHBondContact CE1-OG 3.2Å; Y115-S118 PolarHBondContact O-N 2.88Å; P116-S118 PolarHBondContact O-N 3.29Å; S118-Q120 VanDerWaalsContact C-N 3.28Å; S118-Q120 PolarHBondContact O-N 2.95Å
119	H	96.8	Very high	95.8	Very high	49 Å²	49	51.3 Å²	51.3	23%	0.227	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	42.8	-173.4	-51.6	138.8	0	0	0	113.1	H90 A91 K92 Y115 P116	H90-H119 CarbonylContact C-O 3.57Å; H90-H119 WeakPolarHBondContact CA-O 3.4Å; H90-H119 PolarHBondContact CD2-O 2.93Å; A91-H119 PolarHBondContact N-O 2.99Å; A91-H119 CarbonylContact O-C 3.42Å; A91-H119 VanDerWaalsContact O-C 3.31Å; A91-H119 WeakPolarHBondContact O-CA 3.49Å; A91-H119 VanDerWaalsContact O-O 3.12Å; K92-H119 HydrophobicContact CB-CB 4.29Å; Y115-H119 PolarHBondContact O-N 3.4Å; P116-H119 PolarHBondContact O-CD2 3.44Å; P116-H119 PolarHBondContact O-N 3.37Å
120	Q	98.3	Very high	95.8	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	148.4	-174.8	-73.7	172.8	-3.4	0	0	112.8	F41 R45 M46 L48 V88 L89 Y115 S118	F41-Q120 HydrophobicContact CE1-CB 4.13Å; F41-Q120 HydrophobicContact CZ-CB 3.77Å; R45-Q120 PolarHBondContact O-NE2 2.85Å; M46-Q120 PolarHBondContact O-NE2 3.11Å; L48-Q120 HydrophobicContact CD2-CG 4.29Å; V88-Q120 HydrophobicContact CG1-CB 4.32Å; V88-Q120 HydrophobicContact CG1-CG 4.36Å; L89-Q120 CarbonylContact O-C 3.54Å; L89-Q120 VanDerWaalsContact O-CA 3.32Å; L89-Q120 WeakPolarHBondContact O-CA 3.41Å; Y115-Q120 PolarHBondContact N-O 3.47Å; Y115-Q120 PolarHBondContact O-N 3.36Å; Y115-Q120 VanDerWaalsContact O-N 3.14Å; S118-Q120 VanDerWaalsContact C-N 3.28Å; S118-Q120 PolarHBondContact O-N 2.95Å
121	L	98	Very high	95.7	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.01	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	139.6	167.5	-61.4	177.6	0	0	0	109.3	V88 L89 A91 I96 V112 L113 E114 L123	V88-L121 VanDerWaalsContact CA-O 3.3Å; V88-L121 WeakPolarHBondContact CA-O 3.34Å; L89-L121 HydrophobicContact CD1-CB 4.11Å; L89-L121 HydrophobicContact CD1-CD1 4.03Å; L89-L121 HydrophobicContact CD1-CG 4.43Å; L89-L121 PolarHBondContact N-O 3.14Å; L89-L121 PolarHBondContact O-N 2.83Å; A91-L121 HydrophobicContact CB-CD1 3.47Å; A91-L121 VanDerWaalsContact CB-CD1 3.47Å; A91-L121 HydrophobicContact CB-CD2 4.49Å; A91-L121 HydrophobicContact CB-CG 3.75Å; I96-L121 HydrophobicContact CD1-CD1 4.1Å; I96-L121 HydrophobicContact CG1-CD1 3.83Å; V112-L121 HydrophobicContact CG1-CD2 4.17Å; L113-L121 CarbonylContact O-C 3.11Å; L113-L121 WeakPolarHBondContact O-CA 3.46Å; E114-L121 HydrophobicContact CB-CD2 3.84Å; E114-L121 HydrophobicContact CG-CD2 3.81Å; L121-L123 HydrophobicContact CB-CD2 4.34Å
122	A	98.3	Very high	95.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	120.1	166.7	0	0	0	0	0	109.6	F41 P42 I86 V87 V88 V112 L113 L124	F41-A122 HydrophobicContact CD2-CB 4.18Å; F41-A122 HydrophobicContact CE2-CB 3.53Å; F41-A122 HydrophobicContact CZ-CB 3.78Å; P42-A122 HydrophobicContact CG-CB 3.5Å; I86-A122 HydrophobicContact CG2-CB 4.37Å; V87-A122 CarbonylContact O-C 3.53Å; V87-A122 WeakPolarHBondContact O-CA 3.3Å; V88-A122 HydrophobicContact CG2-CB 4.5Å; V112-A122 WeakPolarHBondContact CA-O 3.26Å; L113-A122 HydrophobicContact CB-CB 4.36Å; L113-A122 PolarHBondContact N-O 3.08Å; L113-A122 PolarHBondContact O-N 2.06Å; A122-L124 HydrophobicContact CB-CD2 4.31Å
123	L	98.3	Very high	95.2	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	114.2	175	-36.7	179.8	0	0	0	108.3	V87 L89 V99 L110 R111 V112 L121 V137 L139	V87-L123 HydrophobicContact CB-CB 4.14Å; V87-L123 HydrophobicContact CB-CD1 4.33Å; V87-L123 HydrophobicContact CB-CG 4.33Å; V87-L123 PolarHBondContact N-O 3.02Å; V87-L123 PolarHBondContact O-N 2.96Å; L89-L123 HydrophobicContact CD2-CD1 3.98Å; V99-L123 HydrophobicContact CG1-CD1 4.26Å; V99-L123 HydrophobicContact CG1-CD2 4.06Å; L110-L123 HydrophobicContact CB-CB 4.35Å; L110-L123 HydrophobicContact CD1-CB 3.87Å; L110-L123 HydrophobicContact CD1-CD1 4.26Å; R111-L123 WeakPolarHBondContact O-CA 3.44Å; V112-L123 HydrophobicContact CG1-CD2 4.22Å; V112-L123 HydrophobicContact CG2-CD2 4.12Å; L121-L123 HydrophobicContact CB-CD2 4.34Å; L123-V137 HydrophobicContact CD1-CB 4.2Å; L123-V137 HydrophobicContact CD1-CG1 4.19Å; L123-V137 HydrophobicContact CD1-CG2 4.33Å; L123-L139 HydrophobicContact CD1-CD1 4.44Å; L123-L139 HydrophobicContact CD1-CD2 4.23Å; L123-L139 HydrophobicContact CD2-CD2 4.13Å
124	L	97.6	Very high	94.7	Very high	34 Å²	34	62.2 Å²	62.2	18%	0.178	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	121.5	-173.7	-47.3	177.7	0	0	0	110.2	P42 I86 L110 R111 L113 A122	P42-L124 HydrophobicContact CG-CD2 4.08Å; I86-L124 HydrophobicContact CB-CD2 4.49Å; I86-L124 HydrophobicContact CG1-CD2 3.84Å; I86-L124 HydrophobicContact CG2-CD2 4.16Å; L110-L124 WeakPolarHBondContact CD2-O 3.49Å; R111-L124 HydrophobicContact CB-CB 4.22Å; R111-L124 HydrophobicContact CB-CD1 4.43Å; R111-L124 PolarHBondContact N-O 3.21Å; R111-L124 VanDerWaalsContact N-O 3.14Å; R111-L124 PolarHBondContact O-N 3.44Å; L113-L124 HydrophobicContact CD1-CD1 3.9Å; L113-L124 HydrophobicContact CG-CD1 4.13Å; A122-L124 HydrophobicContact CB-CD2 4.31Å
125	S	95.1	Very high	94.7	Very high	16 Å²	16	58.8 Å²	58.8	11%	0.112	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	138.5	173.9	-173.7	0	0	0	0	110.4	S85 S127	S85-S125 WeakPolarHBondContact CB-O 3.26Å; S85-S125 PolarHBondContact O-N 3.18Å; S125-S127 WeakPolarHBondContact CB-O 3.47Å; S125-S127 PolarHBondContact O-N 3Å; S125-S127 PolarHBondContact OG-N 3.44Å; S125-S127 PolarHBondContact OG-O 3.39Å
126	E	92.3	Very high	94.7	Very high	206 Å²	206	59.9 Å²	59.9	96%	0.963	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.7	-23.2	173.4	-64.1	-174.8	164.2	0	0	112.4
127	S	91.1	Very high	95	Very high	32 Å²	32	56.9 Å²	56.9	22%	0.224	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	142.1	179.3	52.8	0	0	0	0	111.4	R108 S125 L129	R108-S127 PolarHBondContact NH1-OG 2.96Å; S125-S127 WeakPolarHBondContact CB-O 3.47Å; S125-S127 PolarHBondContact O-N 3Å; S125-S127 PolarHBondContact OG-N 3.44Å; S125-S127 PolarHBondContact OG-O 3.39Å; S127-L129 PolarHBondContact O-N 3.33Å
128	V	94.8	Very high	95.4	Very high	83 Å²	83	51 Å²	51	50%	0.503	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	127.1	175.2	-179.4	0	0	0	0	110.1	D83 T130	D83-V128 HydrophobicContact CB-CG1 3.9Å; V128-T130 PolarHBondContact O-N 3.33Å
129	L	95.8	Very high	95.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	115.6	165.8	-50	179.5	0	0	0	107.2	I52 V80 D83 T84 V87 L101 S127 Y135	I52-L129 HydrophobicContact CD1-CD1 3.98Å; V80-L129 HydrophobicContact CG1-CB 4.33Å; V80-L129 HydrophobicContact CG2-CB 4.12Å; D83-L129 WeakPolarHBondContact CA-O 3.37Å; T84-L129 PolarHBondContact N-O 2.96Å; T84-L129 WeakPolarHBondContact O-CA 3.35Å; T84-L129 WeakPolarHBondContact O-CB 3.18Å; T84-L129 WeakPolarHBondContact O-CG 3.5Å; T84-L129 PolarHBondContact O-N 3.45Å; V87-L129 HydrophobicContact CG2-CD1 3.87Å; L101-L129 HydrophobicContact CD1-CD2 4.07Å; L101-L129 HydrophobicContact CD2-CD2 3.63Å; S127-L129 PolarHBondContact O-N 3.33Å; L129-Y135 HydrophobicContact CB-CD2 4.2Å; L129-Y135 HydrophobicContact CB-CE2 3.87Å; L129-Y135 HydrophobicContact CD2-CD1 3.73Å; L129-Y135 HydrophobicContact CD2-CD2 4.27Å; L129-Y135 HydrophobicContact CD2-CE1 3.74Å; L129-Y135 HydrophobicContact CD2-CE2 4.26Å; L129-Y135 HydrophobicContact CD2-CG 4.01Å
130	T	95.9	Very high	95.7	Very high	50 Å²	50	51.4 Å²	51.4	31%	0.307	26%	0.262	S	S	.	.			trans	-85.9	137.5	-175	-47.5	0	0	0	0	111	D83 V128 G132 R133 Y135	D83-T130 WeakPolarHBondContact OD1-CA 3.41Å; V128-T130 PolarHBondContact O-N 3.33Å; T130-G132 PolarHBondContact O-N 3.17Å; T130-R133 WeakPolarHBondContact O-CB 3.48Å; T130-R133 PolarHBondContact O-N 2.93Å; T130-R133 VanDerWaalsContact O-N 3.13Å; T130-Y135 PolarHBondContact N-OH 3.09Å; T130-Y135 VanDerWaalsContact N-OH 3.12Å
131	K	96.3	Very high	95.7	Very high	137 Å²	137	51.6 Å²	51.6	60%	0.596	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.4	134.5	173.4	177.9	177.3	-174.5	157.1	0	112.1	V80 K81 D83 R133	V80-K131 WeakPolarHBondContact O-CA 3.04Å; K81-K131 WeakPolarHBondContact O-CD 3.28Å; K81-K131 WeakPolarHBondContact O-CE 3.3Å; K81-K131 WeakPolarHBondContact O-CG 3.2Å; K81-K131 PolarHBondContact O-NZ 3.13Å; D83-K131 WeakPolarHBondContact OD1-CB 3.45Å; D83-K131 PolarHBondContact OD1-N 3.45Å; K131-R133 PolarHBondContact O-N 2.61Å
132	G	90.4	Very high	95.8	Very high	62 Å²	62	53.2 Å²	53.2	64%	0.639	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.3	-1.4	177	0	0	0	0	0	115.3	V80 T130	V80-G132 PolarHBondContact O-N 3.12Å; T130-G132 PolarHBondContact O-N 3.17Å
133	R	91.4	Very high	95.8	Very high	119 Å²	119	53.9 Å²	53.9	45%	0.449	28%	0.282	S	S	.	.			trans	-86.3	148.9	167.5	-68.9	-167.6	177.5	-160.3	1.7	110.5	E105 T130 K131 Y135	E105-R133 IonicContact OE1-NH1 2.82Å; E105-R133 PolarHBondContact OE1-NH1 3.38Å; T130-R133 WeakPolarHBondContact O-CB 3.48Å; T130-R133 PolarHBondContact O-N 2.93Å; T130-R133 VanDerWaalsContact O-N 3.13Å; K131-R133 PolarHBondContact O-N 2.61Å; R133-Y135 HydrophobicContact CB-CD2 4.33Å; R133-Y135 HydrophobicContact CB-CE2 3.55Å
134	K	87.9	Confident	95.8	Very high	173 Å²	173	59.8 Å²	59.8	75%	0.752	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.5	130.6	176.7	-64.7	-172.4	177.7	-172.8	0	110
135	Y	96.4	Very high	95.8	Very high	7 Å²	7	58.4 Å²	58.4	3%	0.027	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	155.9	173.3	-62.4	-86.3	0	0	0	108.7	L78 V80 L101 A103 L129 T130 R133	L78-Y135 PolarHBondContact N-O 2.69Å; V80-Y135 HydrophobicContact CG2-CD2 3.65Å; V80-Y135 HydrophobicContact CG2-CE2 4.05Å; L101-Y135 HydrophobicContact CD1-CD1 4.22Å; L101-Y135 HydrophobicContact CD1-CG 4.48Å; L101-Y135 HydrophobicContact CD2-CD1 4.32Å; L101-Y135 HydrophobicContact CG-CD1 4.45Å; A103-Y135 HydrophobicContact CB-CD1 3.88Å; A103-Y135 HydrophobicContact CB-CE1 3.97Å; L129-Y135 HydrophobicContact CB-CD2 4.2Å; L129-Y135 HydrophobicContact CB-CE2 3.87Å; L129-Y135 HydrophobicContact CD2-CD1 3.73Å; L129-Y135 HydrophobicContact CD2-CD2 4.27Å; L129-Y135 HydrophobicContact CD2-CE1 3.74Å; L129-Y135 HydrophobicContact CD2-CE2 4.26Å; L129-Y135 HydrophobicContact CD2-CG 4.01Å; T130-Y135 PolarHBondContact N-OH 3.09Å; T130-Y135 VanDerWaalsContact N-OH 3.12Å; R133-Y135 HydrophobicContact CB-CD2 4.33Å; R133-Y135 HydrophobicContact CB-CE2 3.55Å
136	E	97.9	Very high	95.9	Very high	59 Å²	59	59.1 Å²	59.1	28%	0.276	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	144.2	167.2	-41.2	-172.8	137.7	0	0	110	R75 I76 S77 L101 L102	R75-E136 VanDerWaalsContact CD-OE2 3.3Å; R75-E136 WeakPolarHBondContact CD-OE2 3.42Å; R75-E136 HydrophobicContact CG-CB 4.18Å; I76-E136 CarbonylContact O-C 3.53Å; I76-E136 WeakPolarHBondContact O-CA 3.08Å; S77-E136 PolarHBondContact OG-OE1 3.31Å; L101-E136 CarbonylContact C-O 3.59Å; L101-E136 WeakPolarHBondContact CA-O 3.48Å; L102-E136 HydrophobicContact CB-CB 4.1Å; L102-E136 HydrophobicContact CD1-CB 4.26Å; L102-E136 HydrophobicContact CG-CB 4.48Å; L102-E136 PolarHBondContact N-O 2.81Å; L102-E136 PolarHBondContact O-N 3.33Å; L102-E136 VanDerWaalsContact O-N 3.13Å
137	V	98.2	Very high	96	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	133.8	169	-67.6	0	0	0	0	108.9	R75 I76 L78 V87 V100 L101 L110 L123 L139	R75-V137 CarbonylContact C-O 3.31Å; R75-V137 VanDerWaalsContact CA-O 3.29Å; R75-V137 WeakPolarHBondContact CA-O 3.18Å; I76-V137 HydrophobicContact CB-CG2 3.83Å; I76-V137 HydrophobicContact CD1-CG2 4.14Å; I76-V137 HydrophobicContact CG1-CG2 4.18Å; I76-V137 PolarHBondContact N-O 3.25Å; I76-V137 PolarHBondContact O-N 3.44Å; L78-V137 HydrophobicContact CD1-CG1 3.81Å; L78-V137 HydrophobicContact CD1-CG2 4.27Å; L78-V137 HydrophobicContact CD2-CG2 4.26Å; L78-V137 HydrophobicContact CG-CG2 4.47Å; V87-V137 HydrophobicContact CG2-CG1 4.45Å; V100-V137 WeakPolarHBondContact O-CA 3.46Å; L101-V137 HydrophobicContact CD1-CG1 3.95Å; L110-V137 HydrophobicContact CD1-CG1 3.81Å; L123-V137 HydrophobicContact CD1-CB 4.2Å; L123-V137 HydrophobicContact CD1-CG1 4.19Å; L123-V137 HydrophobicContact CD1-CG2 4.33Å; V137-L139 HydrophobicContact CB-CD1 4.35Å; V137-L139 HydrophobicContact CG2-CD1 4.13Å
138	Q	98.7	Very high	96.2	Very high	27 Å²	27	53.5 Å²	53.5	13%	0.126	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	132.8	174.7	-174.5	-177.2	-68.1	0	0	109.1	M73 V74 V99 V100	M73-Q138 HydrophobicContact CG-CG 3.95Å; M73-Q138 HydrophobicContact SD-CG 3.69Å; V74-Q138 CarbonylContact O-C 3.55Å; V74-Q138 VanDerWaalsContact O-CA 3.3Å; V74-Q138 WeakPolarHBondContact O-CA 3.44Å; V99-Q138 WeakPolarHBondContact CA-O 3.12Å; V100-Q138 HydrophobicContact CG2-CB 3.8Å; V100-Q138 PolarHBondContact N-O 2.84Å; V100-Q138 PolarHBondContact O-N 2.81Å
139	L	98.5	Very high	96.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	135.1	177.6	-54.4	92.3	0	0	0	109	M73 V74 I76 I96 V99 L123 V137 P182	M73-L139 WeakPolarHBondContact CA-O 3.49Å; V74-L139 HydrophobicContact CG1-CB 4.01Å; V74-L139 HydrophobicContact CG1-CD1 3.96Å; V74-L139 PolarHBondContact N-O 2.82Å; V74-L139 PolarHBondContact O-N 3.29Å; I76-L139 HydrophobicContact CD1-CD1 4.49Å; I96-L139 HydrophobicContact CG2-CD2 4.14Å; V99-L139 HydrophobicContact CG1-CD2 4.21Å; V99-L139 HydrophobicContact CG1-CG 4.12Å; V99-L139 HydrophobicContact CG2-CB 4.42Å; V99-L139 HydrophobicContact CG2-CD2 4Å; V99-L139 HydrophobicContact CG2-CG 4.13Å; L123-L139 HydrophobicContact CD1-CD1 4.44Å; L123-L139 HydrophobicContact CD1-CD2 4.23Å; L123-L139 HydrophobicContact CD2-CD2 4.13Å; V137-L139 HydrophobicContact CB-CD1 4.35Å; V137-L139 HydrophobicContact CG2-CD1 4.13Å; L139-P182 HydrophobicContact CD2-CB 4.23Å; L139-P182 HydrophobicContact CD2-CG 4.35Å
140	E	98.8	Very high	96.3	Very high	72 Å²	72	50.6 Å²	50.6	34%	0.336	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	146.4	164.1	-69.3	172.1	-163.4	0	0	109.2	G72 M73 S97 N98	G72-E140 WeakPolarHBondContact O-CA 3.26Å; M73-E140 HydrophobicContact CB-CG 4.32Å; M73-E140 HydrophobicContact CG-CG 4.18Å; S97-E140 PolarHBondContact N-O 2.8Å; S97-E140 PolarHBondContact O-N 2.98Å; S97-E140 VanDerWaalsContact O-O 3.06Å; N98-E140 HydrophobicContact CB-CB 4.24Å; N98-E140 HydrophobicContact CB-CG 4.11Å; N98-E140 PolarHBondContact ND2-OE1 3.44Å
141	F	98.8	Very high	96.4	Very high	5 Å²	5	48.4 Å²	48.4	2%	0.022	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	156.1	-179.3	56	-89.9	0	0	0	112.8	L59 I61 F70 T71 G72 V74 M94 H95 I96 A180 F181 P182	L59-F141 HydrophobicContact CD1-CE1 4.44Å; L59-F141 HydrophobicContact CD1-CZ 4.07Å; I61-F141 HydrophobicContact CD1-CE2 3.87Å; I61-F141 HydrophobicContact CD1-CZ 3.64Å; F70-F141 HydrophobicContact CD2-CE2 4.31Å; F70-F141 HydrophobicContact CE2-CD2 4.14Å; F70-F141 AromaticContact CE2-CE2 3.88Å; F70-F141 HydrophobicContact CE2-CE2 3.88Å; T71-F141 CarbonylContact C-O 3.49Å; T71-F141 WeakPolarHBondContact CA-O 3.21Å; G72-F141 PolarHBondContact N-O 2.58Å; G72-F141 PolarHBondContact O-N 3.45Å; V74-F141 HydrophobicContact CB-CE1 4Å; V74-F141 HydrophobicContact CG1-CD1 4.38Å; V74-F141 HydrophobicContact CG1-CE1 3.99Å; M94-F141 HydrophobicContact SD-CB 4.25Å; M94-F141 HydrophobicContact SD-CG 4.44Å; H95-F141 CarbonylContact O-C 3.44Å; H95-F141 WeakPolarHBondContact O-CA 3.45Å; I96-F141 HydrophobicContact CD1-CB 3.96Å; F141-A180 WeakPolarHBondContact CE2-O 3.37Å; F141-F181 HydrophobicContact CE1-CB 4.06Å; F141-F181 HydrophobicContact CE2-CB 4.21Å; F141-F181 HydrophobicContact CZ-CB 3.62Å; F141-P182 HydrophobicContact CD1-CG 4.17Å
142	A	98.7	Very high	96.5	Very high	35 Å²	35	42 Å²	42	29%	0.289	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	140.7	172.7	0	0	0	0	0	110.5	F70 T71 H95	F70-A142 WeakPolarHBondContact O-CA 3.23Å; T71-A142 HydrophobicContact CG2-CB 4.06Å; H95-A142 PolarHBondContact N-O 3.41Å; H95-A142 PolarHBondContact O-N 2.98Å
143	A	98.4	Very high	96.9	Very high	14 Å²	14	39 Å²	39	12%	0.116	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	166.7	177.3	0	0	0	0	0	111.3	D69 F70 M94	D69-A143 WeakPolarHBondContact CA-O 3.43Å; F70-A143 HydrophobicContact CD1-CB 4.47Å; F70-A143 WeakPolarHBondContact CD1-O 3.25Å; F70-A143 HydrophobicContact CE1-CB 3.73Å; F70-A143 HydrophobicContact CE2-CB 4.26Å; F70-A143 HydrophobicContact CZ-CB 3.61Å; F70-A143 PolarHBondContact N-O 2.81Å; F70-A143 PolarHBondContact O-N 3.25Å; M94-A143 HydrophobicContact CB-CB 3.93Å
144	N	98.4	Very high	97.1	Very high	124 Å²	124	36.9 Å²	36.9	66%	0.663	19%	0.19	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-84.4	149.8	170.4	-64.5	-37.1	0	0	0	109.8	S146	N144-S146 PolarHBondContact O-N 2.87Å
145	L	98.5	Very high	97.5	Very high	5 Å²	5	29 Å²	29	3%	0.026	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-60.7	132.3	166.4	-67.9	175.1	0	0	0	109	L68 F70 D147 F152 K154 A168	L68-L145 HydrophobicContact CD2-CD1 4.4Å; L68-L145 WeakPolarHBondContact O-CB 3.5Å; L68-L145 PolarHBondContact O-N 2.95Å; F70-L145 HydrophobicContact CD1-CD2 3.89Å; F70-L145 HydrophobicContact CD1-CG 4.42Å; F70-L145 HydrophobicContact CE1-CD2 4.43Å; L145-D147 PolarHBondContact O-N 3.13Å; L145-F152 WeakPolarHBondContact CA-O 3.4Å; L145-F152 HydrophobicContact CD2-CB 4.5Å; L145-F152 HydrophobicContact CD2-CD1 3.53Å; L145-F152 HydrophobicContact CD2-CD2 4.05Å; L145-F152 HydrophobicContact CD2-CE1 3.65Å; L145-F152 HydrophobicContact CD2-CE2 4.14Å; L145-F152 HydrophobicContact CD2-CG 3.74Å; L145-F152 HydrophobicContact CD2-CZ 3.95Å; L145-K154 HydrophobicContact CB-CB 4.11Å; L145-K154 HydrophobicContact CD1-CB 4.11Å; L145-A168 HydrophobicContact CD1-CB 3.97Å; L145-A168 HydrophobicContact CD2-CB 4.12Å
146	S	97.5	Very high	97.5	Very high	32 Å²	32	31.1 Å²	31.1	22%	0.224	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-58.5	136.6	-179.4	174.1	0	0	0	0	111.5	N144 S148 H150 F152 Y153 K154	N144-S146 PolarHBondContact O-N 2.87Å; S146-S148 VanDerWaalsContact C-N 3.26Å; S146-S148 PolarHBondContact OG-N 3.13Å; S146-S148 VanDerWaalsContact OG-N 3.1Å; S146-H150 VanDerWaalsContact CB-O 3.3Å; S146-H150 WeakPolarHBondContact CB-O 3.34Å; S146-H150 PolarHBondContact OG-O 2.77Å; S146-H150 VanDerWaalsContact OG-O 3.12Å; S146-F152 PolarHBondContact N-O 2.91Å; S146-Y153 WeakPolarHBondContact O-CA 3.3Å; S146-Y153 WeakPolarHBondContact O-CB 3.23Å; S146-K154 PolarHBondContact O-N 3.49Å
147	D	93.7	Very high	97.4	Very high	110 Å²	110	29 Å²	29	59%	0.588	16%	0.163	S	C	*	.	S	Bend	trans	-80.7	-7.2	170.7	-75.1	-41.4	0	0	0	112.5	L145 K154 K858	L145-D147 PolarHBondContact O-N 3.13Å; D147-K154 WeakPolarHBondContact OD1-CE 3.44Å; D147-K154 IonicContact OD1-NZ 3.98Å; D147-K154 PolarHBondContact OD1-NZ 2.96Å; D147-K858 PolarHBondContact O-NZ 2.83Å
148	S	94.8	Very high	97.1	Very high	9 Å²	9	36.3 Å²	36.3	6%	0.063	19%	0.19	C	C	.	.	S	Bend	trans	-87.7	-153.6	175.6	-173.7	0	0	0	0	110.9	S146 H150 K858	S146-S148 VanDerWaalsContact C-N 3.26Å; S146-S148 PolarHBondContact OG-N 3.13Å; S146-S148 VanDerWaalsContact OG-N 3.1Å; S148-H150 WeakPolarHBondContact CB-CE1 3.42Å; S148-H150 PolarHBondContact OG-CE1 3.46Å; S148-H150 PolarHBondContact OG-ND1 3.22Å; S148-H150 VanDerWaalsContact OG-ND1 3.13Å; S148-K858 PolarHBondContact OG-O 2.96Å
149	F	96.6	Very high	96.9	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.018	19%	0.19	C	C	.	.	S	Bend	trans	-116.9	11.7	178.9	-59.7	-71.3	0	0	0	112.4	Q171 D303 Q305 Q825 K858 F859	F149-Q171 WeakPolarHBondContact O-CB 3.48Å; F149-D303 HydrophobicContact CE1-CB 4.28Å; F149-Q305 HydrophobicContact CB-CB 3.5Å; F149-Q305 HydrophobicContact CD2-CB 3.85Å; F149-Q305 HydrophobicContact CD2-CG 4.35Å; F149-Q305 HydrophobicContact CG-CB 3.78Å; F149-Q825 HydrophobicContact CE1-CB 4.2Å; F149-Q825 HydrophobicContact CZ-CB 4.08Å; F149-K858 HydrophobicContact CD2-CD 4.39Å; F149-K858 HydrophobicContact CE2-CD 3.97Å; F149-K858 HydrophobicContact CE2-CG 4.07Å; F149-K858 HydrophobicContact CZ-CD 4.48Å; F149-K858 VanDerWaalsContact CZ-CE 3.41Å; F149-F859 HydrophobicContact CD2-CD1 4.33Å; F149-F859 HydrophobicContact CD2-CE1 4.24Å; F149-F859 HydrophobicContact CE2-CD1 4.14Å; F149-F859 AromaticContact CE2-CE1 3.65Å; F149-F859 HydrophobicContact CE2-CE1 3.65Å; F149-F859 HydrophobicContact CE2-CZ 4.06Å
150	H	96.3	Very high	96.4	Very high	18 Å²	18	40.2 Å²	40.2	8%	0.083	22%	0.22	C	C	.	.	S	Bend	trans	-135.1	165.6	-176.8	56.1	-107.3	0	0	0	111.5	S146 S148 Q171 F176 D860	S146-H150 VanDerWaalsContact CB-O 3.3Å; S146-H150 WeakPolarHBondContact CB-O 3.34Å; S146-H150 PolarHBondContact OG-O 2.77Å; S146-H150 VanDerWaalsContact OG-O 3.12Å; S148-H150 WeakPolarHBondContact CB-CE1 3.42Å; S148-H150 PolarHBondContact OG-CE1 3.46Å; S148-H150 PolarHBondContact OG-ND1 3.22Å; S148-H150 VanDerWaalsContact OG-ND1 3.13Å; H150-Q171 CarbonylContact C-O 3.55Å; H150-Q171 WeakPolarHBondContact CA-O 3.39Å; H150-Q171 HydrophobicContact CB-CG 4.49Å; H150-F176 HydrophobicContact CB-CB 4.14Å; H150-F176 HydrophobicContact CB-CD1 3.9Å; H150-F176 HydrophobicContact CB-CD2 3.84Å; H150-F176 HydrophobicContact CB-CE1 4.18Å; H150-F176 HydrophobicContact CB-CE2 4.13Å; H150-F176 HydrophobicContact CB-CG 3.71Å; H150-F176 HydrophobicContact CB-CZ 4.29Å; H150-F176 AromaticContact CD2-CD1 3.24Å; H150-F176 WeakPolarHBondContact CD2-CD1 3.42Å; H150-F176 AromaticContact CD2-CE1 3.35Å; H150-F176 WeakPolarHBondContact CD2-CE1 3.48Å; H150-F176 AromaticContact CD2-CG 3.96Å; H150-F176 AromaticContact CE1-CE1 3.94Å; H150-F176 AromaticContact CG-CD1 3.57Å; H150-F176 AromaticContact CG-CE1 3.53Å; H150-F176 AromaticContact CG-CG 3.93Å; H150-F176 AromaticContact CG-CZ 3.87Å; H150-F176 AromaticContact ND1-CE1 3.9Å; H150-F176 AromaticContact NE2-CD1 3.97Å; H150-F176 AromaticContact NE2-CE1 3.67Å; H150-D860 IonicContact CE1-OD1 3.31Å; H150-D860 IonicContact CE1-OD2 2.86Å; H150-D860 PolarHBondContact CE1-OD2 3.07Å; H150-D860 IonicContact ND1-OD2 2.68Å; H150-D860 PolarHBondContact ND1-OD2 3.34Å; H150-D860 IonicContact NE2-OD2 2.67Å; H150-D860 PolarHBondContact NE2-OD2 3.16Å
151	G	97.9	Very high	96.1	Very high	4 Å²	4	41.4 Å²	41.4	4%	0.041	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	74.4	-148.5	-168.7	0	0	0	0	0	110.3	T170 Q171 F172	G151-T170 WeakPolarHBondContact O-CA 3.18Å; G151-Q171 PolarHBondContact N-O 2.85Å; G151-Q171 PolarHBondContact O-N 3.04Å; G151-Q171 VanDerWaalsContact O-N 3.11Å; G151-F172 WeakPolarHBondContact O-CE1 3.39Å
152	F	98.7	Very high	95.6	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.009	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	104.5	168.9	-172.2	-152	0	0	0	108.6	I61 P63 F70 L145 S146 A168 S169 T170 A180 Y239	I61-F152 HydrophobicContact CG2-CD1 4.41Å; I61-F152 HydrophobicContact CG2-CE1 3.77Å; I61-F152 HydrophobicContact CG2-CZ 4.48Å; P63-F152 HydrophobicContact CB-CE1 3.76Å; P63-F152 HydrophobicContact CB-CZ 3.7Å; P63-F152 HydrophobicContact CG-CE1 4.32Å; P63-F152 HydrophobicContact CG-CZ 3.98Å; F70-F152 HydrophobicContact CB-CD1 4.32Å; F70-F152 HydrophobicContact CB-CE1 4.02Å; F70-F152 AromaticContact CD1-CD1 3.61Å; F70-F152 HydrophobicContact CD1-CD1 3.61Å; F70-F152 HydrophobicContact CD1-CE1 4.13Å; F70-F152 HydrophobicContact CD2-CD1 4.02Å; F70-F152 HydrophobicContact CD2-CE1 4.37Å; F70-F152 HydrophobicContact CE1-CB 4.27Å; F70-F152 AromaticContact CE1-CD1 3.78Å; F70-F152 HydrophobicContact CE1-CD1 3.78Å; F70-F152 HydrophobicContact CE1-CG 4.47Å; F70-F152 HydrophobicContact CE2-CD1 4.18Å; F70-F152 AromaticContact CG-CD1 3.73Å; F70-F152 HydrophobicContact CG-CD1 3.73Å; F70-F152 AromaticContact CG-CE1 3.93Å; F70-F152 HydrophobicContact CG-CE1 3.93Å; F70-F152 HydrophobicContact CZ-CB 4.35Å; F70-F152 HydrophobicContact CZ-CD1 4.05Å; L145-F152 WeakPolarHBondContact CA-O 3.4Å; L145-F152 HydrophobicContact CD2-CB 4.5Å; L145-F152 HydrophobicContact CD2-CD1 3.53Å; L145-F152 HydrophobicContact CD2-CD2 4.05Å; L145-F152 HydrophobicContact CD2-CE1 3.65Å; L145-F152 HydrophobicContact CD2-CE2 4.14Å; L145-F152 HydrophobicContact CD2-CG 3.74Å; L145-F152 HydrophobicContact CD2-CZ 3.95Å; S146-F152 PolarHBondContact N-O 2.91Å; F152-A168 HydrophobicContact CD2-CB 4.43Å; F152-A168 HydrophobicContact CE2-CB 3.54Å; F152-A168 HydrophobicContact CZ-CB 3.77Å; F152-S169 WeakPolarHBondContact CD2-O 3.45Å; F152-T170 HydrophobicContact CB-CG2 4.28Å; F152-T170 HydrophobicContact CD2-CG2 3.65Å; F152-T170 HydrophobicContact CE2-CG2 4.36Å; F152-T170 HydrophobicContact CG-CG2 4.26Å; F152-A180 HydrophobicContact CB-CB 3.82Å; F152-Y239 HydrophobicContact CD1-CE2 4.01Å; F152-Y239 HydrophobicContact CD2-CD2 4.23Å; F152-Y239 AromaticContact CD2-CE2 3.74Å; F152-Y239 HydrophobicContact CD2-CE2 3.74Å; F152-Y239 AromaticContact CE1-CE2 3.98Å; F152-Y239 HydrophobicContact CE1-CE2 3.98Å; F152-Y239 AromaticContact CE2-CD2 3.87Å; F152-Y239 HydrophobicContact CE2-CD2 3.87Å; F152-Y239 AromaticContact CE2-CE2 3.73Å; F152-Y239 HydrophobicContact CE2-CE2 3.73Å; F152-Y239 AromaticContact CG-CE2 3.9Å; F152-Y239 HydrophobicContact CG-CE2 3.9Å; F152-Y239 HydrophobicContact CZ-CD2 4.09Å; F152-Y239 AromaticContact CZ-CE2 3.86Å; F152-Y239 HydrophobicContact CZ-CE2 3.86Å
153	Y	98.5	Very high	95.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	156.4	-163.3	74.1	-86.8	0	0	0	112	S146 A168 S169 Q171 I301 D303 F304	S146-Y153 WeakPolarHBondContact O-CA 3.3Å; S146-Y153 WeakPolarHBondContact O-CB 3.23Å; Y153-A168 WeakPolarHBondContact O-CA 3.32Å; Y153-S169 WeakPolarHBondContact CD1-O 3.33Å; Y153-S169 WeakPolarHBondContact CE1-O 3.32Å; Y153-S169 PolarHBondContact N-O 2.82Å; Y153-S169 PolarHBondContact O-N 3.44Å; Y153-Q171 HydrophobicContact CE1-CB 3.99Å; Y153-I301 WeakPolarHBondContact OH-CG2 3.26Å; Y153-D303 VanDerWaalsContact CE2-O 3.32Å; Y153-D303 WeakPolarHBondContact CE2-O 3.32Å; Y153-D303 PolarHBondContact OH-O 3.35Å; Y153-F304 WeakPolarHBondContact OH-CD2 3.45Å
154	K	97	Very high	95.2	Very high	75 Å²	75	48.6 Å²	48.6	33%	0.326	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	142.8	176.3	70.4	-176.5	178.9	-161.5	0	111.1	L68 L145 S146 D147 I167	L68-K154 HydrophobicContact CD1-CD 3.79Å; L68-K154 HydrophobicContact CD2-CB 4.39Å; L68-K154 HydrophobicContact CD2-CD 4.18Å; L68-K154 HydrophobicContact CG-CD 4.4Å; L145-K154 HydrophobicContact CB-CB 4.11Å; L145-K154 HydrophobicContact CD1-CB 4.11Å; S146-K154 PolarHBondContact O-N 3.49Å; D147-K154 WeakPolarHBondContact OD1-CE 3.44Å; D147-K154 IonicContact OD1-NZ 3.98Å; D147-K154 PolarHBondContact OD1-NZ 2.96Å; K154-I167 WeakPolarHBondContact CA-O 3.43Å
155	G	96.2	Very high	95.1	Very high	7 Å²	7	46.9 Å²	46.9	7%	0.072	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	170.5	168	0	0	0	0	0	110.8	I167 D303	G155-I167 PolarHBondContact N-O 3.38Å; G155-I167 PolarHBondContact O-N 3.29Å; G155-D303 WeakPolarHBondContact CA-OD2 3.42Å
156	S	95.9	Very high	95	Very high	51 Å²	51	48.2 Å²	48.2	36%	0.357	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	157.4	172.9	68.4	0	0	0	0	113.3	R165 D303 K823	S156-R165 WeakPolarHBondContact CA-O 3.43Å; S156-R165 WeakPolarHBondContact CB-O 3.37Å; S156-D303 PolarHBondContact N-OD2 3.23Å; S156-D303 VanDerWaalsContact O-OD2 3.06Å; S156-K823 PolarHBondContact O-NZ 3.2Å
157	Y	95.4	Very high	95	Very high	14 Å²	14	46.8 Å²	46.8	6%	0.055	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	159.8	170.1	72	-85.5	0	0	0	111	T159 V164 R165 I167 D243 F244 V262 P263 P302	Y157-T159 HydrophobicContact CE2-CG2 4Å; Y157-V164 WeakPolarHBondContact O-CA 3.2Å; Y157-R165 HydrophobicContact CD1-CB 4.18Å; Y157-R165 HydrophobicContact CE1-CB 3.67Å; Y157-R165 HydrophobicContact CE2-CB 4.37Å; Y157-R165 PolarHBondContact N-O 3.26Å; Y157-R165 PolarHBondContact O-N 2.94Å; Y157-I167 HydrophobicContact CD1-CG2 4.27Å; Y157-I167 HydrophobicContact CE1-CG2 4.13Å; Y157-D243 PolarHBondContact OH-OD1 3.33Å; Y157-D243 PolarHBondContact OH-OD2 3.17Å; Y157-F244 HydrophobicContact CE1-CE1 4.5Å; Y157-V262 HydrophobicContact CD1-CG1 3.6Å; Y157-V262 HydrophobicContact CD2-CB 4Å; Y157-V262 HydrophobicContact CD2-CG1 3.71Å; Y157-V262 HydrophobicContact CE1-CB 4.46Å; Y157-V262 HydrophobicContact CE1-CG1 3.73Å; Y157-V262 HydrophobicContact CE2-CB 3.84Å; Y157-V262 HydrophobicContact CE2-CG1 3.85Å; Y157-V262 HydrophobicContact CG-CB 4.37Å; Y157-V262 HydrophobicContact CG-CG1 3.57Å; Y157-P263 WeakPolarHBondContact OH-CD 3.34Å; Y157-P302 HydrophobicContact CD1-CG 4.34Å; Y157-P302 HydrophobicContact CG-CG 4.45Å
158	R	92.6	Very high	95.3	Very high	154 Å²	154	41.5 Å²	41.5	58%	0.581	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-107.2	128.4	177.8	-167.2	178.6	-65.6	-85.7	3.3	109.2	G162 E163	R158-G162 PolarHBondContact NH1-O 2.81Å; R158-E163 CarbonylContact C-O 3.52Å; R158-E163 WeakPolarHBondContact CA-O 3.44Å
159	T	92.9	Very high	95.5	Very high	18 Å²	18	41.1 Å²	41.1	11%	0.11	23%	0.231	C	C	.	.			trans	-74.5	164.8	173.8	68	0	0	0	0	110.7	Y157 S161 G162 E163 R165 D264	Y157-T159 HydrophobicContact CE2-CG2 4Å; T159-S161 PolarHBondContact O-N 2.89Å; T159-S161 VanDerWaalsContact O-N 3.17Å; T159-S161 PolarHBondContact OG1-N 2.81Å; T159-S161 PolarHBondContact OG1-OG 2.81Å; T159-G162 PolarHBondContact O-N 2.83Å; T159-E163 HydrophobicContact CG2-CB 4.34Å; T159-E163 PolarHBondContact N-O 2.57Å; T159-E163 WeakPolarHBondContact OG1-CB 3.29Å; T159-E163 PolarHBondContact OG1-N 2.89Å; T159-E163 PolarHBondContact OG1-O 2.93Å; T159-R165 HydrophobicContact CG2-CG 4.29Å; T159-D264 WeakPolarHBondContact CA-OD2 3.03Å
160	S	89.5	Confident	95.6	Very high	92 Å²	92	40.9 Å²	40.9	64%	0.643	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-29	171.5	53.7	0	0	0	0	113.6	G162 D264	S160-G162 VanDerWaalsContact C-N 3.3Å; S160-G162 PolarHBondContact O-N 3.03Å; S160-D264 WeakPolarHBondContact CB-OD2 3.25Å; S160-D264 PolarHBondContact N-OD2 3.09Å; S160-D264 PolarHBondContact OG-OD2 2.94Å
161	S	91.3	Very high	95.7	Very high	96 Å²	96	40.8 Å²	40.8	67%	0.671	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-11	174.7	74.5	0	0	0	0	114.6	T159	T159-S161 PolarHBondContact O-N 2.89Å; T159-S161 VanDerWaalsContact O-N 3.17Å; T159-S161 PolarHBondContact OG1-N 2.81Å; T159-S161 PolarHBondContact OG1-OG 2.81Å
162	G	89.1	Confident	95.7	Very high	33 Å²	33	40.6 Å²	40.6	34%	0.34	23%	0.227	S	C	.	.	S	Bend	trans	94	-7.7	-175.7	0	0	0	0	0	115.2	R158 T159 S160	R158-G162 PolarHBondContact NH1-O 2.81Å; T159-G162 PolarHBondContact O-N 2.83Å; S160-G162 VanDerWaalsContact C-N 3.3Å; S160-G162 PolarHBondContact O-N 3.03Å
163	E	93.8	Very high	95.7	Very high	90 Å²	90	41.3 Å²	41.3	42%	0.421	23%	0.231	S	C	.	.			trans	-60.6	135.4	174.2	-172.1	-170	-168.6	0	0	111.2	R158 T159 R165	R158-E163 CarbonylContact C-O 3.52Å; R158-E163 WeakPolarHBondContact CA-O 3.44Å; T159-E163 HydrophobicContact CG2-CB 4.34Å; T159-E163 PolarHBondContact N-O 2.57Å; T159-E163 WeakPolarHBondContact OG1-CB 3.29Å; T159-E163 PolarHBondContact OG1-N 2.89Å; T159-E163 PolarHBondContact OG1-O 2.93Å; E163-R165 HydrophobicContact CG-CG 4.41Å; E163-R165 IonicContact OE1-NE 3.85Å; E163-R165 IonicContact OE1-NH2 3.64Å; E163-R165 IonicContact OE2-CZ 2.77Å; E163-R165 IonicContact OE2-NE 3.4Å; E163-R165 PolarHBondContact OE2-NE 2.87Å; E163-R165 IonicContact OE2-NH2 2.67Å; E163-R165 PolarHBondContact OE2-NH2 2.72Å
164	V	94.4	Very high	95.6	Very high	82 Å²	82	41.3 Å²	41.3	50%	0.497	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	124.5	172.7	-179.6	0	0	0	0	109	Y157	Y157-V164 WeakPolarHBondContact O-CA 3.2Å
165	R	96.2	Very high	95.7	Very high	88 Å²	88	38 Å²	38	33%	0.332	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	136.4	176.4	-64.4	-159.5	177.8	-179	1.4	110.9	S156 Y157 T159 E163 D243	S156-R165 WeakPolarHBondContact CA-O 3.43Å; S156-R165 WeakPolarHBondContact CB-O 3.37Å; Y157-R165 HydrophobicContact CD1-CB 4.18Å; Y157-R165 HydrophobicContact CE1-CB 3.67Å; Y157-R165 HydrophobicContact CE2-CB 4.37Å; Y157-R165 PolarHBondContact N-O 3.26Å; Y157-R165 PolarHBondContact O-N 2.94Å; T159-R165 HydrophobicContact CG2-CG 4.29Å; E163-R165 HydrophobicContact CG-CG 4.41Å; E163-R165 IonicContact OE1-NE 3.85Å; E163-R165 IonicContact OE1-NH2 3.64Å; E163-R165 IonicContact OE2-CZ 2.77Å; E163-R165 IonicContact OE2-NE 3.4Å; E163-R165 PolarHBondContact OE2-NE 2.87Å; E163-R165 IonicContact OE2-NH2 2.67Å; E163-R165 PolarHBondContact OE2-NH2 2.72Å; R165-D243 WeakPolarHBondContact CD-OD2 3.43Å; R165-D243 IonicContact CZ-OD2 3.69Å; R165-D243 IonicContact NE-OD2 3.01Å; R165-D243 IonicContact NH1-OD2 3.07Å; R165-D243 PolarHBondContact NH1-OD2 2.79Å
166	A	97.1	Very high	95.8	Very high	34 Å²	34	38.2 Å²	38.2	28%	0.281	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	146.9	176.3	0	0	0	0	0	110.3	L65	L65-A166 HydrophobicContact CB-CB 4.39Å
167	I	98.1	Very high	95.9	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	158.5	169.1	64.9	168.7	0	0	0	108.9	K154 G155 Y157 F244 I301 P302	K154-I167 WeakPolarHBondContact CA-O 3.43Å; G155-I167 PolarHBondContact N-O 3.38Å; G155-I167 PolarHBondContact O-N 3.29Å; Y157-I167 HydrophobicContact CD1-CG2 4.27Å; Y157-I167 HydrophobicContact CE1-CG2 4.13Å; I167-F244 HydrophobicContact CD1-CZ 3.97Å; I167-F244 HydrophobicContact CG2-CE1 4.15Å; I167-I301 HydrophobicContact CD1-CG2 4.18Å; I167-P302 HydrophobicContact CD1-CG 4.2Å
168	A	98.7	Very high	96.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	130.7	167.7	0	0	0	0	0	109.2	L65 L145 F152 Y153 I240 V241	L65-A168 HydrophobicContact CD1-CB 4.13Å; L65-A168 HydrophobicContact CG-CB 4.45Å; L145-A168 HydrophobicContact CD1-CB 3.97Å; L145-A168 HydrophobicContact CD2-CB 4.12Å; F152-A168 HydrophobicContact CD2-CB 4.43Å; F152-A168 HydrophobicContact CE2-CB 3.54Å; F152-A168 HydrophobicContact CZ-CB 3.77Å; Y153-A168 WeakPolarHBondContact O-CA 3.32Å; A168-I240 WeakPolarHBondContact O-CA 3.4Å; A168-V241 PolarHBondContact N-O 2.99Å; A168-V241 PolarHBondContact O-N 3.41Å
169	S	98.7	Very high	96.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	165.2	-177	-167.8	0	0	0	0	110.7	F152 Y153	F152-S169 WeakPolarHBondContact CD2-O 3.45Å; Y153-S169 WeakPolarHBondContact CD1-O 3.33Å; Y153-S169 WeakPolarHBondContact CE1-O 3.32Å; Y153-S169 PolarHBondContact N-O 2.82Å; Y153-S169 PolarHBondContact O-N 3.44Å
170	T	98.8	Very high	96.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	142.5	-178.9	40.1	0	0	0	0	110.8	G151 F152 F172 A238 Y239	G151-T170 WeakPolarHBondContact O-CA 3.18Å; F152-T170 HydrophobicContact CB-CG2 4.28Å; F152-T170 HydrophobicContact CD2-CG2 3.65Å; F152-T170 HydrophobicContact CE2-CG2 4.36Å; F152-T170 HydrophobicContact CG-CG2 4.26Å; T170-F172 HydrophobicContact CG2-CE1 3.68Å; T170-F172 HydrophobicContact CG2-CE2 4.15Å; T170-F172 HydrophobicContact CG2-CZ 3.35Å; T170-A238 WeakPolarHBondContact OG1-CA 3.4Å; T170-Y239 HydrophobicContact CG2-CD1 4.43Å; T170-Y239 HydrophobicContact CG2-CD2 3.71Å; T170-Y239 HydrophobicContact CG2-CE1 4.25Å; T170-Y239 HydrophobicContact CG2-CE2 3.51Å; T170-Y239 HydrophobicContact CG2-CG 4.18Å; T170-Y239 PolarHBondContact OG1-N 2.99Å; T170-Y239 PolarHBondContact OG1-O 3.33Å
171	Q	98.6	Very high	97	Very high	15 Å²	15	24.1 Å²	24.1	7%	0.07	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	107.3	168.8	169.4	63.1	28.3	0	0	106.9	F149 H150 G151 Y153 M309	F149-Q171 WeakPolarHBondContact O-CB 3.48Å; H150-Q171 CarbonylContact C-O 3.55Å; H150-Q171 WeakPolarHBondContact CA-O 3.39Å; H150-Q171 HydrophobicContact CB-CG 4.49Å; G151-Q171 PolarHBondContact N-O 2.85Å; G151-Q171 PolarHBondContact O-N 3.04Å; G151-Q171 VanDerWaalsContact O-N 3.11Å; Y153-Q171 HydrophobicContact CE1-CB 3.99Å; Q171-M309 PolarHBondContact NE2-SD 3.38Å; Q171-M309 VanDerWaalsContact NE2-SD 3.38Å
172	F	98.8	Very high	97.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.113	C	C	.	.			trans	-108.6	-21.4	-168.9	-66.5	-20.4	0	0	0	114.9	G151 T170 A174 T175 F176 A177 A180 F181 Y235 V237 Y239	G151-F172 WeakPolarHBondContact O-CE1 3.39Å; T170-F172 HydrophobicContact CG2-CE1 3.68Å; T170-F172 HydrophobicContact CG2-CE2 4.15Å; T170-F172 HydrophobicContact CG2-CZ 3.35Å; F172-A174 CarbonylContact O-C 3.25Å; F172-A174 VanDerWaalsContact O-C 3.27Å; F172-A174 PolarHBondContact O-N 3.15Å; F172-T175 PolarHBondContact O-N 3.28Å; F172-F176 PolarHBondContact O-N 2.85Å; F172-A177 HydrophobicContact CB-CB 3.96Å; F172-A177 HydrophobicContact CD1-CB 4.38Å; F172-A177 HydrophobicContact CD2-CB 3.72Å; F172-A177 HydrophobicContact CE2-CB 4.31Å; F172-A177 HydrophobicContact CG-CB 3.77Å; F172-A180 HydrophobicContact CE1-CB 3.46Å; F172-A180 VanDerWaalsContact CE1-CB 3.46Å; F172-A180 HydrophobicContact CZ-CB 3.45Å; F172-A180 VanDerWaalsContact CZ-CB 3.45Å; F172-F181 AromaticContact CE2-CE1 3.79Å; F172-F181 HydrophobicContact CE2-CE1 3.79Å; F172-F181 HydrophobicContact CZ-CE1 4.19Å; F172-Y235 WeakPolarHBondContact CB-O 3.48Å; F172-V237 HydrophobicContact CD2-CB 4.06Å; F172-V237 WeakPolarHBondContact CD2-O 3.29Å; F172-V237 HydrophobicContact CE2-CB 3.92Å; F172-V237 HydrophobicContact CE2-CG1 4Å; F172-V237 WeakPolarHBondContact CE2-O 3.42Å; F172-Y239 HydrophobicContact CE2-CE1 4.46Å; F172-Y239 HydrophobicContact CZ-CE1 4.33Å
173	E	98.5	Very high	97.8	Very high	17 Å²	17	18 Å²	18	8%	0.079	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	130.1	177.8	-160.5	176.7	-146.1	0	0	111.5	F176 Y235 M309 W359 F423	E173-F176 WeakPolarHBondContact O-CD2 3.42Å; E173-Y235 HydrophobicContact CB-CD2 3.8Å; E173-Y235 HydrophobicContact CG-CD2 3.74Å; E173-Y235 HydrophobicContact CG-CE2 4.16Å; E173-Y235 HydrophobicContact CG-CG 4.37Å; E173-Y235 WeakPolarHBondContact OE1-CE2 3.49Å; E173-M309 HydrophobicContact CB-CE 3.81Å; E173-M309 HydrophobicContact CB-SD 3.57Å; E173-M309 VanDerWaalsContact CB-SD 3.57Å; E173-W359 HydrophobicContact CG-CH2 3.78Å; E173-W359 HydrophobicContact CG-CZ3 3.93Å; E173-W359 WeakPolarHBondContact OE1-CZ3 3.45Å; E173-F423 HydrophobicContact CG-CE1 4.11Å; E173-F423 HydrophobicContact CG-CZ 3.75Å
174	A	96.8	Very high	98.1	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.008	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	cis	-91.9	-37.6	3	0	0	0	0	0	114.6	F172 W359 I419 F423	F172-A174 CarbonylContact O-C 3.25Å; F172-A174 VanDerWaalsContact O-C 3.27Å; F172-A174 PolarHBondContact O-N 3.15Å; A174-W359 HydrophobicContact CB-CD2 4.1Å; A174-W359 HydrophobicContact CB-CE3 4.03Å; A174-W359 HydrophobicContact CB-CH2 3.7Å; A174-W359 HydrophobicContact CB-CZ2 3.71Å; A174-W359 HydrophobicContact CB-CZ3 3.82Å; A174-W359 WeakPolarHBondContact O-CZ2 3.49Å; A174-I419 HydrophobicContact CB-CG2 3.38Å; A174-F423 HydrophobicContact CB-CE2 3.93Å; A174-F423 HydrophobicContact CB-CZ 4.12Å
175	T	98.1	Very high	98.3	Very high	6 Å²	6	10 Å²	10	4%	0.037	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.9	37.2	-167.2	65.1	0	0	0	0	112.6	F172 R178 I419	F172-T175 PolarHBondContact O-N 3.28Å; T175-R178 VanDerWaalsContact O-CD 3.3Å; T175-R178 WeakPolarHBondContact O-CD 3.29Å; T175-R178 VanDerWaalsContact O-CG 3.29Å; T175-R178 WeakPolarHBondContact O-CG 3.43Å; T175-R178 PolarHBondContact O-NE 2.8Å; T175-R178 VanDerWaalsContact O-NE 3.16Å; T175-I419 HydrophobicContact CG2-CD1 3.93Å
176	F	98.3	Very high	98.4	Very high	11 Å²	11	6 Å²	6	5%	0.048	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-4.4	-172.5	-57.8	-79.4	0	0	0	114.5	H150 F172 E173 R178 G179 D860	H150-F176 HydrophobicContact CB-CB 4.14Å; H150-F176 HydrophobicContact CB-CD1 3.9Å; H150-F176 HydrophobicContact CB-CD2 3.84Å; H150-F176 HydrophobicContact CB-CE1 4.18Å; H150-F176 HydrophobicContact CB-CE2 4.13Å; H150-F176 HydrophobicContact CB-CG 3.71Å; H150-F176 HydrophobicContact CB-CZ 4.29Å; H150-F176 AromaticContact CD2-CD1 3.24Å; H150-F176 WeakPolarHBondContact CD2-CD1 3.42Å; H150-F176 AromaticContact CD2-CE1 3.35Å; H150-F176 WeakPolarHBondContact CD2-CE1 3.48Å; H150-F176 AromaticContact CD2-CG 3.96Å; H150-F176 AromaticContact CE1-CE1 3.94Å; H150-F176 AromaticContact CG-CD1 3.57Å; H150-F176 AromaticContact CG-CE1 3.53Å; H150-F176 AromaticContact CG-CG 3.93Å; H150-F176 AromaticContact CG-CZ 3.87Å; H150-F176 AromaticContact ND1-CE1 3.9Å; H150-F176 AromaticContact NE2-CD1 3.97Å; H150-F176 AromaticContact NE2-CE1 3.67Å; F172-F176 PolarHBondContact O-N 2.85Å; E173-F176 WeakPolarHBondContact O-CD2 3.42Å; F176-R178 PolarHBondContact O-N 2.9Å; F176-G179 PolarHBondContact O-N 3.25Å; F176-D860 WeakPolarHBondContact CE1-OD2 3.39Å; F176-D860 WeakPolarHBondContact CZ-OD2 3.44Å
177	A	98.9	Very high	98.5	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	3%	0.026	C	C	.	.	G	3₁₀ helix	trans	-59.1	-35.7	170.3	0	0	0	0	0	110.9	F172 G179 A180 F181 D185	F172-A177 HydrophobicContact CB-CB 3.96Å; F172-A177 HydrophobicContact CD1-CB 4.38Å; F172-A177 HydrophobicContact CD2-CB 3.72Å; F172-A177 HydrophobicContact CE2-CB 4.31Å; F172-A177 HydrophobicContact CG-CB 3.77Å; A177-G179 PolarHBondContact O-N 3.21Å; A177-A180 PolarHBondContact O-N 3.41Å; A177-F181 HydrophobicContact CB-CE1 4.23Å; A177-F181 HydrophobicContact CB-CZ 4.15Å; A177-F181 PolarHBondContact O-N 2.85Å; A177-D185 WeakPolarHBondContact CB-OD1 3.24Å
178	R	98.5	Very high	98.5	Very high	12 Å²	12	6 Å²	6	5%	0.045	4%	0.04	C	C	.	.	G	3₁₀ helix	trans	-58.9	-16	172.6	71.1	-173.5	69.6	-168.8	2.3	114.9	H90 A91 K92 M94 T175 F176 D185	H90-R178 HydrophobicContact CB-CB 3.63Å; H90-R178 HydrophobicContact CB-CG 4.46Å; H90-R178 PolarHBondContact CD2-NH1 2.95Å; H90-R178 PolarHBondContact CE1-NH2 2.79Å; H90-R178 VanDerWaalsContact CG-CZ 3.45Å; H90-R178 PolarHBondContact ND1-NH2 2.77Å; H90-R178 PolarHBondContact NE2-NH1 2.94Å; A91-R178 CarbonylContact C-O 3.46Å; A91-R178 WeakPolarHBondContact CA-O 3.26Å; K92-R178 HydrophobicContact CB-CG 4.02Å; K92-R178 PolarHBondContact N-O 2.8Å; M94-R178 WeakPolarHBondContact CE-O 3.38Å; T175-R178 VanDerWaalsContact O-CD 3.3Å; T175-R178 WeakPolarHBondContact O-CD 3.29Å; T175-R178 VanDerWaalsContact O-CG 3.29Å; T175-R178 WeakPolarHBondContact O-CG 3.43Å; T175-R178 PolarHBondContact O-NE 2.8Å; T175-R178 VanDerWaalsContact O-NE 3.16Å; F176-R178 PolarHBondContact O-N 2.9Å; R178-D185 HydrophobicContact CB-CB 4.12Å; R178-D185 WeakPolarHBondContact CB-OD2 3.35Å; R178-D185 WeakPolarHBondContact CG-OD2 3.23Å; R178-D185 IonicContact CZ-OD2 3.65Å; R178-D185 PolarHBondContact N-OD2 3.33Å; R178-D185 IonicContact NE-OD2 3.87Å; R178-D185 PolarHBondContact NE-OD2 2.9Å; R178-D185 PolarHBondContact NH2-O 2.84Å; R178-D185 IonicContact NH2-OD2 2.81Å
179	G	97.5	Very high	98.5	Very high	21 Å²	21	6.7 Å²	6.7	22%	0.216	4%	0.043	C	C	.	.	G	3₁₀ helix	trans	-88.3	-4.9	173.4	0	0	0	0	0	113.8	F176 A177	F176-G179 PolarHBondContact O-N 3.25Å; A177-G179 PolarHBondContact O-N 3.21Å
180	A	98.7	Very high	98.5	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-34.4	-179.6	0	0	0	0	0	112.6	F70 F141 F152 F172 A177	F70-A180 WeakPolarHBondContact CE2-O 3.08Å; F141-A180 WeakPolarHBondContact CE2-O 3.37Å; F152-A180 HydrophobicContact CB-CB 3.82Å; F172-A180 HydrophobicContact CE1-CB 3.46Å; F172-A180 VanDerWaalsContact CE1-CB 3.46Å; F172-A180 HydrophobicContact CZ-CB 3.45Å; F172-A180 VanDerWaalsContact CZ-CB 3.45Å; A177-A180 PolarHBondContact O-N 3.41Å
181	F	98.8	Very high	98.5	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.044	C	C	.	.	S	Bend	trans	-155.3	150.5	173.2	57.7	-83.9	0	0	0	111.5	L59 F141 F172 A177 C183 F193 V237	L59-F181 HydrophobicContact CD1-CB 3.75Å; L59-F181 HydrophobicContact CD1-CD1 4.44Å; L59-F181 HydrophobicContact CD1-CD2 4.29Å; L59-F181 HydrophobicContact CD1-CG 3.93Å; L59-F181 HydrophobicContact CD2-CD1 3.87Å; L59-F181 HydrophobicContact CD2-CE1 4.12Å; L59-F181 HydrophobicContact CD2-CG 4.14Å; F141-F181 HydrophobicContact CE1-CB 4.06Å; F141-F181 HydrophobicContact CE2-CB 4.21Å; F141-F181 HydrophobicContact CZ-CB 3.62Å; F172-F181 AromaticContact CE2-CE1 3.79Å; F172-F181 HydrophobicContact CE2-CE1 3.79Å; F172-F181 HydrophobicContact CZ-CE1 4.19Å; A177-F181 HydrophobicContact CB-CE1 4.23Å; A177-F181 HydrophobicContact CB-CZ 4.15Å; A177-F181 PolarHBondContact O-N 2.85Å; F181-C183 HydrophobicContact CD2-CB 3.73Å; F181-C183 HydrophobicContact CE2-CB 3.5Å; F181-C183 VanDerWaalsContact CE2-CB 3.5Å; F181-C183 PolarHBondContact O-N 3.43Å; F181-C183 PolarHBondContact O-SG 3.11Å; F181-C183 VanDerWaalsContact O-SG 3.38Å; F181-F193 HydrophobicContact CE2-CE1 4.3Å; F181-F193 HydrophobicContact CZ-CE1 4.34Å; F181-V237 HydrophobicContact CE1-CB 4.47Å; F181-V237 HydrophobicContact CE1-CG1 4.15Å; F181-V237 HydrophobicContact CZ-CB 4.34Å; F181-V237 HydrophobicContact CZ-CG1 4.3Å; F181-V237 HydrophobicContact CZ-CG2 4.24Å
182	P	98.8	Very high	98.5	Very high	0 Å²	0	9 Å²	9	0%	0	6%	0.055	C	C	.	.			trans	-63.5	125.5	174.4	-20	31.6	0	0	0	111.6	V74 L89 H90 A91 M94 I96 L139 F141	V74-P182 HydrophobicContact CG1-CB 4.4Å; V74-P182 HydrophobicContact CG1-CG 4.31Å; L89-P182 HydrophobicContact CD1-CB 3.66Å; H90-P182 CarbonylContact O-C 3.59Å; H90-P182 VanDerWaalsContact O-CA 3.3Å; H90-P182 WeakPolarHBondContact O-CA 3.32Å; A91-P182 HydrophobicContact CB-CB 4.37Å; M94-P182 HydrophobicContact SD-CG 3.7Å; I96-P182 HydrophobicContact CD1-CG 3.6Å; L139-P182 HydrophobicContact CD2-CB 4.23Å; L139-P182 HydrophobicContact CD2-CG 4.35Å; F141-P182 HydrophobicContact CD1-CG 4.17Å
183	C	98.9	Very high	98.5	Very high	0 Å²	0	9 Å²	9	0%	0	6%	0.055	C	C	.	.	B	Isolated β-bridge	trans	-159.2	166.6	-175.9	56.3	0	0	0	0	114.4	Y57 H90 F181 D185 T234	Y57-C183 HydrophobicContact CE1-CB 3.72Å; H90-C183 WeakPolarHBondContact CA-O 3.32Å; H90-C183 WeakPolarHBondContact CB-O 3.46Å; H90-C183 PolarHBondContact N-O 2.85Å; H90-C183 PolarHBondContact O-N 3.08Å; F181-C183 HydrophobicContact CD2-CB 3.73Å; F181-C183 HydrophobicContact CE2-CB 3.5Å; F181-C183 VanDerWaalsContact CE2-CB 3.5Å; F181-C183 PolarHBondContact O-N 3.43Å; F181-C183 PolarHBondContact O-SG 3.11Å; F181-C183 VanDerWaalsContact O-SG 3.38Å; C183-D185 PolarHBondContact O-N 2.9Å; C183-T234 HydrophobicContact CB-CG2 4.08Å
184	F	98.9	Very high	98.6	Very high	2 Å²	2	9.5 Å²	9.5	1%	0.009	6%	0.06	C	C	.	.			trans	-78.7	74.7	170.1	-64.2	-101.6	0	0	0	109.4	L48 I52 P54 Y57 I76 L78 V87 V88 L89 E186 F189	L48-F184 HydrophobicContact CD1-CB 4.01Å; L48-F184 HydrophobicContact CD1-CD1 3.88Å; L48-F184 HydrophobicContact CD1-CG 4.32Å; I52-F184 HydrophobicContact CG2-CE1 4.32Å; I52-F184 HydrophobicContact CG2-CZ 3.93Å; P54-F184 HydrophobicContact CB-CD2 3.89Å; P54-F184 HydrophobicContact CB-CE2 4.31Å; P54-F184 HydrophobicContact CG-CB 4.01Å; P54-F184 HydrophobicContact CG-CD2 3.93Å; P54-F184 HydrophobicContact CG-CG 4.08Å; Y57-F184 WeakPolarHBondContact OH-CD2 3.43Å; Y57-F184 PolarHBondContact OH-N 2.88Å; I76-F184 HydrophobicContact CG2-CE2 4.31Å; L78-F184 HydrophobicContact CD2-CE2 3.93Å; L78-F184 HydrophobicContact CD2-CZ 4.1Å; V87-F184 HydrophobicContact CG1-CZ 3.77Å; V88-F184 WeakPolarHBondContact O-CE1 3.32Å; L89-F184 HydrophobicContact CB-CD2 4.45Å; L89-F184 HydrophobicContact CB-CE2 4.42Å; L89-F184 HydrophobicContact CB-CZ 4.49Å; F184-E186 PolarHBondContact O-N 2.86Å; F184-F189 HydrophobicContact CB-CB 3.8Å; F184-F189 HydrophobicContact CB-CD1 4.44Å; F184-F189 HydrophobicContact CB-CD2 3.98Å; F184-F189 HydrophobicContact CB-CG 3.84Å
185	D	98.8	Very high	98.7	Very high	2 Å²	2	9.6 Å²	9.6	1%	0.011	6%	0.06	C	C	.	.			trans	-79.4	59.9	-167.5	-162.8	27.7	0	0	0	114.3	H90 A177 R178 C183 T234	H90-D185 HydrophobicContact CB-CB 3.87Å; H90-D185 PolarHBondContact ND1-N 3.43Å; A177-D185 WeakPolarHBondContact CB-OD1 3.24Å; R178-D185 HydrophobicContact CB-CB 4.12Å; R178-D185 WeakPolarHBondContact CB-OD2 3.35Å; R178-D185 WeakPolarHBondContact CG-OD2 3.23Å; R178-D185 IonicContact CZ-OD2 3.65Å; R178-D185 PolarHBondContact N-OD2 3.33Å; R178-D185 IonicContact NE-OD2 3.87Å; R178-D185 PolarHBondContact NE-OD2 2.9Å; R178-D185 PolarHBondContact NH2-O 2.84Å; R178-D185 IonicContact NH2-OD2 2.81Å; C183-D185 PolarHBondContact O-N 2.9Å; D185-T234 PolarHBondContact OD1-OG1 2.98Å
186	E	98.8	Very high	98.7	Very high	4 Å²	4	11.4 Å²	11.4	2%	0.019	7%	0.066	C	C	.	.	S	Bend	trans	-133.6	144.9	168.4	-47.7	-176.3	177.8	0	0	109.5	R47 L48 H90 F184 A188 F189 W358	R47-E186 VanDerWaalsContact CA-OE1 3.31Å; R47-E186 WeakPolarHBondContact CA-OE1 3.03Å; R47-E186 IonicContact CZ-OE2 3.18Å; R47-E186 VanDerWaalsContact CZ-OE2 3.26Å; R47-E186 VanDerWaalsContact NE-CD 3.32Å; R47-E186 IonicContact NE-OE1 3.89Å; R47-E186 PolarHBondContact NE-OE1 2.9Å; R47-E186 IonicContact NE-OE2 2.79Å; R47-E186 PolarHBondContact NE-OE2 3.04Å; R47-E186 IonicContact NH2-OE2 3.55Å; R47-E186 PolarHBondContact NH2-OE2 3.06Å; L48-E186 HydrophobicContact CD1-CG 4.48Å; L48-E186 PolarHBondContact N-OE1 2.84Å; H90-E186 IonicContact CE1-OE1 3.08Å; F184-E186 PolarHBondContact O-N 2.86Å; E186-A188 VanDerWaalsContact C-N 3.25Å; E186-A188 PolarHBondContact O-N 2.72Å; E186-A188 VanDerWaalsContact O-N 3.12Å; E186-F189 HydrophobicContact CB-CD2 3.82Å; E186-F189 HydrophobicContact CB-CE2 4.19Å; E186-F189 HydrophobicContact CG-CD2 4.21Å; E186-F189 HydrophobicContact CG-CE2 4.22Å; E186-F189 PolarHBondContact O-N 2.72Å; E186-W358 HydrophobicContact CB-CE3 4.42Å; E186-W358 HydrophobicContact CB-CZ3 3.92Å; E186-W358 HydrophobicContact CG-CZ3 3.93Å
187	P	98.8	Very high	98.7	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.006	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-27.5	-168.7	22	-33.4	0	0	0	114.4	F189 S233 Y235 T355 W358 W359 N462	P187-F189 VanDerWaalsContact C-N 3.31Å; P187-F189 PolarHBondContact O-N 2.66Å; P187-S233 PolarHBondContact O-OG 2.85Å; P187-Y235 HydrophobicContact CB-CD1 4.47Å; P187-Y235 HydrophobicContact CB-CE1 4.37Å; P187-T355 HydrophobicContact CB-CG2 4Å; P187-W358 HydrophobicContact CG-CE3 4.36Å; P187-W359 HydrophobicContact CG-CZ2 4.15Å; P187-N462 PolarHBondContact O-ND2 3.11Å
188	A	98.4	Very high	98.7	Very high	35 Å²	35	12.1 Å²	12.1	29%	0.289	7%	0.07	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-22	177.3	0	0	0	0	0	114.3	E186 K190 E357	E186-A188 VanDerWaalsContact C-N 3.25Å; E186-A188 PolarHBondContact O-N 2.72Å; E186-A188 VanDerWaalsContact O-N 3.12Å; A188-K190 PolarHBondContact O-N 2.69Å; A188-E357 HydrophobicContact CB-CG 4.25Å
189	F	98.7	Very high	98.7	Very high	14 Å²	14	12.3 Å²	12.3	6%	0.061	7%	0.071	C	C	.	.			trans	-83	52.8	178.9	-67.9	-68.7	0	0	0	112	L48 P54 F184 E186 P187	L48-F189 HydrophobicContact CB-CE2 3.98Å; L48-F189 HydrophobicContact CB-CZ 4.25Å; L48-F189 HydrophobicContact CD1-CD2 4.47Å; L48-F189 HydrophobicContact CD1-CE2 4.17Å; P54-F189 HydrophobicContact CG-CB 3.91Å; F184-F189 HydrophobicContact CB-CB 3.8Å; F184-F189 HydrophobicContact CB-CD1 4.44Å; F184-F189 HydrophobicContact CB-CD2 3.98Å; F184-F189 HydrophobicContact CB-CG 3.84Å; E186-F189 HydrophobicContact CB-CD2 3.82Å; E186-F189 HydrophobicContact CB-CE2 4.19Å; E186-F189 HydrophobicContact CG-CD2 4.21Å; E186-F189 HydrophobicContact CG-CE2 4.22Å; E186-F189 PolarHBondContact O-N 2.72Å; P187-F189 VanDerWaalsContact C-N 3.31Å; P187-F189 PolarHBondContact O-N 2.66Å
190	K	98.8	Very high	98.8	Very high	6 Å²	6	13.9 Å²	13.9	3%	0.026	7%	0.072	C	C	.	.			trans	-61.9	137.3	177.3	-69.2	-165.7	173.8	-169.5	0	111.7	A188 K231 M232 S233 N352 L353 T355 Q461	A188-K190 PolarHBondContact O-N 2.69Å; K190-K231 HydrophobicContact CB-CD 4.19Å; K190-K231 VanDerWaalsContact CB-CE 3.46Å; K190-K231 HydrophobicContact CB-CG 3.59Å; K190-K231 HydrophobicContact CD-CG 4.48Å; K190-K231 VanDerWaalsContact O-CE 3.23Å; K190-K231 WeakPolarHBondContact O-CE 3.39Å; K190-M232 CarbonylContact C-O 3.58Å; K190-M232 WeakPolarHBondContact CA-O 3.48Å; K190-S233 WeakPolarHBondContact CE-OG 3.44Å; K190-S233 WeakPolarHBondContact CG-OG 3.25Å; K190-N352 PolarHBondContact NZ-O 3.33Å; K190-L353 PolarHBondContact NZ-O 2.9Å; K190-T355 WeakPolarHBondContact CE-OG1 3.38Å; K190-T355 PolarHBondContact NZ-OG1 2.85Å; K190-Q461 WeakPolarHBondContact CE-O 3.38Å; K190-Q461 PolarHBondContact NZ-O 2.63Å
191	A	98.8	Very high	98.7	Very high	1 Å²	1	18 Å²	18	1%	0.008	10%	0.099	C	C	.	.	B	Isolated β-bridge	trans	-146.8	171.3	178.9	0	0	0	0	0	111.4	P54 Y57 F193 K231 M232	P54-A191 HydrophobicContact CB-CB 4.17Å; P54-A191 HydrophobicContact CG-CB 4.23Å; Y57-A191 HydrophobicContact CD2-CB 3.63Å; Y57-A191 HydrophobicContact CE2-CB 3.53Å; A191-F193 HydrophobicContact CB-CE2 4.36Å; A191-F193 WeakPolarHBondContact O-CD2 3.45Å; A191-F193 VanDerWaalsContact O-CE2 3.32Å; A191-F193 WeakPolarHBondContact O-CE2 3.23Å; A191-K231 WeakPolarHBondContact O-CA 3.42Å; A191-M232 PolarHBondContact N-O 3.17Å; A191-M232 PolarHBondContact O-N 3.25Å
192	N	98.9	Very high	98.6	Very high	56 Å²	56	25.3 Å²	25.3	30%	0.299	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	149.4	167.8	-61.9	97	0	0	0	110.4	L55 H56 Y57 T228 T229 K231	L55-N192 PolarHBondContact O-N 2.9Å; L55-N192 VanDerWaalsContact O-N 3.13Å; H56-N192 CarbonylContact C-O 3.56Å; H56-N192 VanDerWaalsContact CA-O 3.32Å; H56-N192 WeakPolarHBondContact CA-O 3.36Å; H56-N192 WeakPolarHBondContact ND1-CB 3.48Å; Y57-N192 PolarHBondContact N-O 2.91Å; N192-T228 HydrophobicContact CB-CG2 3.93Å; N192-T229 PolarHBondContact ND2-O 3.29Å; N192-K231 PolarHBondContact ND2-N 3.13Å
193	F	98.9	Very high	98.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	128.6	178.6	-61.9	-98.3	0	0	0	110.4	Y57 F181 A191 I195 T228 T229 M232 T234 V237	Y57-F193 HydrophobicContact CD1-CE1 4.24Å; Y57-F193 AromaticContact CD2-CD1 3.82Å; Y57-F193 HydrophobicContact CD2-CD1 3.82Å; Y57-F193 AromaticContact CD2-CE1 3.29Å; Y57-F193 HydrophobicContact CD2-CE1 3.29Å; Y57-F193 HydrophobicContact CD2-CE2 4.36Å; Y57-F193 AromaticContact CD2-CZ 3.61Å; Y57-F193 HydrophobicContact CD2-CZ 3.61Å; Y57-F193 AromaticContact CE2-CE1 3.81Å; Y57-F193 HydrophobicContact CE2-CE1 3.81Å; Y57-F193 AromaticContact CE2-CZ 3.82Å; Y57-F193 HydrophobicContact CE2-CZ 3.82Å; Y57-F193 AromaticContact CG-CD1 3.81Å; Y57-F193 HydrophobicContact CG-CD1 3.81Å; Y57-F193 AromaticContact CG-CE1 3.54Å; Y57-F193 HydrophobicContact CG-CE1 3.54Å; Y57-F193 HydrophobicContact CG-CZ 4.32Å; Y57-F193 CarbonylContact O-C 3.27Å; Y57-F193 WeakPolarHBondContact O-CA 3.43Å; F181-F193 HydrophobicContact CE2-CE1 4.3Å; F181-F193 HydrophobicContact CZ-CE1 4.34Å; A191-F193 HydrophobicContact CB-CE2 4.36Å; A191-F193 WeakPolarHBondContact O-CD2 3.45Å; A191-F193 VanDerWaalsContact O-CE2 3.32Å; A191-F193 WeakPolarHBondContact O-CE2 3.23Å; F193-I195 HydrophobicContact CB-CD1 4.45Å; F193-I195 HydrophobicContact CB-CG1 4.38Å; F193-T228 CarbonylContact O-C 3.56Å; F193-T228 WeakPolarHBondContact O-CA 3.35Å; F193-T229 HydrophobicContact CB-CG2 4Å; F193-T229 PolarHBondContact N-OG1 2.98Å; F193-T229 PolarHBondContact O-N 3.42Å; F193-M232 HydrophobicContact CD2-CE 3.75Å; F193-M232 HydrophobicContact CD2-CG 3.96Å; F193-M232 HydrophobicContact CE2-CE 4.26Å; F193-M232 HydrophobicContact CE2-CG 3.94Å; F193-M232 HydrophobicContact CG-CE 4.3Å; F193-T234 HydrophobicContact CZ-CG2 4.07Å; F193-V237 HydrophobicContact CD1-CG2 3.58Å; F193-V237 HydrophobicContact CD2-CG2 4.02Å; F193-V237 HydrophobicContact CE1-CG2 3.51Å; F193-V237 HydrophobicContact CE2-CG2 3.94Å; F193-V237 HydrophobicContact CG-CG2 3.86Å; F193-V237 HydrophobicContact CZ-CG2 3.69Å
194	T	98.9	Very high	98.6	Very high	27 Å²	27	28.9 Å²	28.9	17%	0.166	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	119.4	166.6	-56.3	0	0	0	0	107.7	H56 Y57 L59 T228	H56-T194 PolarHBondContact CE1-OG1 3.01Å; H56-T194 PolarHBondContact NE2-OG1 2.79Å; Y57-T194 PolarHBondContact O-N 3.42Å; L59-T194 PolarHBondContact N-O 3.37Å; T194-T228 PolarHBondContact OG1-OG1 3.21Å
195	I	98.9	Very high	98.6	Very high	3 Å²	3	29.1 Å²	29.1	2%	0.015	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	135.1	-171.2	-61.2	168.1	0	0	0	109.7	L59 F193 I197 S207 F226 V237 Y239	L59-I195 CarbonylContact O-C 3.52Å; L59-I195 WeakPolarHBondContact O-CA 3.23Å; F193-I195 HydrophobicContact CB-CD1 4.45Å; F193-I195 HydrophobicContact CB-CG1 4.38Å; I195-I197 HydrophobicContact CG2-CD1 3.86Å; I195-I197 HydrophobicContact CG2-CG1 4.07Å; I195-S207 VanDerWaalsContact CD1-OG 3.25Å; I195-S207 WeakPolarHBondContact CD1-OG 3.32Å; I195-F226 HydrophobicContact CB-CD2 4.33Å; I195-F226 HydrophobicContact CG2-CD2 4.17Å; I195-F226 WeakPolarHBondContact O-CD2 3.15Å; I195-F226 PolarHBondContact O-N 3.1Å; I195-V237 HydrophobicContact CD1-CG1 3.95Å; I195-Y239 HydrophobicContact CG2-CD1 4.42Å
196	R	98.9	Very high	98.6	Very high	44 Å²	44	29.6 Å²	29.6	17%	0.166	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	130.2	171.8	-64	-178.4	-67.1	-108.5	-3.2	109.7	D58 L59 A60 I61 E223 D224	D58-R196 VanDerWaalsContact CG-NH1 3.31Å; D58-R196 IonicContact OD1-CZ 3.44Å; D58-R196 IonicContact OD1-NE 2.6Å; D58-R196 IonicContact OD1-NH1 3.34Å; D58-R196 PolarHBondContact OD1-NH1 2.9Å; D58-R196 IonicContact OD1-NH2 3.83Å; D58-R196 PolarHBondContact OD1-NH2 2.99Å; D58-R196 IonicContact OD2-CZ 3.92Å; D58-R196 IonicContact OD2-NH1 3.01Å; D58-R196 PolarHBondContact OD2-NH1 3.3Å; D58-R196 IonicContact OD2-NH2 2.74Å; D58-R196 PolarHBondContact OD2-NH2 2.99Å; L59-R196 PolarHBondContact O-N 3.49Å; A60-R196 WeakPolarHBondContact CA-O 3.49Å; A60-R196 HydrophobicContact CB-CB 4.35Å; I61-R196 PolarHBondContact N-O 3.07Å; R196-E223 HydrophobicContact CB-CG 4.34Å; R196-D224 VanDerWaalsContact CA-O 3.28Å; R196-D224 WeakPolarHBondContact CA-O 3.34Å
197	I	98.9	Very high	98.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	122.3	179.2	-55.5	-62.7	0	0	0	109.6	I61 I195 A205 E223 D224 F226 Y239 V241	I61-I197 HydrophobicContact CB-CD1 3.82Å; I61-I197 HydrophobicContact CG1-CD1 4.23Å; I61-I197 WeakPolarHBondContact O-CA 3.31Å; I195-I197 HydrophobicContact CG2-CD1 3.86Å; I195-I197 HydrophobicContact CG2-CG1 4.07Å; I197-A205 HydrophobicContact CB-CB 3.86Å; I197-A205 HydrophobicContact CG1-CB 4.32Å; I197-A205 HydrophobicContact CG2-CB 3.72Å; I197-E223 WeakPolarHBondContact O-CA 3.4Å; I197-D224 PolarHBondContact N-O 2.97Å; I197-D224 PolarHBondContact O-N 3.27Å; I197-F226 HydrophobicContact CB-CE2 4.26Å; I197-F226 HydrophobicContact CG1-CD2 4.47Å; I197-F226 HydrophobicContact CG1-CE2 3.76Å; I197-Y239 HydrophobicContact CD1-CD1 4.48Å; I197-Y239 HydrophobicContact CD1-CD2 4.09Å; I197-Y239 HydrophobicContact CD1-CG 3.93Å; I197-V241 HydrophobicContact CG2-CG2 3.67Å
198	I	98.8	Very high	98.6	Very high	26 Å²	26	29.4 Å²	29.4	13%	0.133	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	126.6	173.8	-58.8	168.1	0	0	0	108.6	I61 H62 P63 L217 L221 L222 E223	I61-I198 PolarHBondContact O-N 2.62Å; H62-I198 HydrophobicContact CB-CB 3.92Å; H62-I198 HydrophobicContact CB-CD1 4.11Å; H62-I198 HydrophobicContact CB-CG1 4.49Å; P63-I198 WeakPolarHBondContact CD-O 3.22Å; I198-L217 HydrophobicContact CD1-CD1 4.07Å; I198-L217 HydrophobicContact CG1-CD1 4.04Å; I198-L217 HydrophobicContact CG2-CD1 4.05Å; I198-L221 HydrophobicContact CG2-CB 4.08Å; I198-L221 HydrophobicContact CG2-CD1 3.99Å; I198-L222 CarbonylContact C-O 3.58Å; I198-L222 WeakPolarHBondContact CA-O 3.35Å; I198-E223 HydrophobicContact CG1-CB 4.18Å; I198-E223 HydrophobicContact CG1-CG 3.85Å; I198-E223 WeakPolarHBondContact CG1-OE2 3.43Å
199	R	98.5	Very high	98.6	Very high	16 Å²	16	28.4 Å²	28.4	6%	0.06	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	164.4	-176.5	60.1	165.3	176.6	74.3	15.5	112.9	H203 L222 D224 V241	R199-H203 WeakPolarHBondContact CD-O 3.26Å; R199-H203 PolarHBondContact NE-O 3.1Å; R199-H203 PolarHBondContact NH1-O 3.35Å; R199-L222 PolarHBondContact N-O 3.1Å; R199-L222 PolarHBondContact O-N 3.43Å; R199-D224 IonicContact CZ-OD1 3.38Å; R199-D224 IonicContact CZ-OD2 2.72Å; R199-D224 IonicContact NE-OD2 2.7Å; R199-D224 PolarHBondContact NE-OD2 3.42Å; R199-D224 VanDerWaalsContact NH2-CG 3.3Å; R199-D224 IonicContact NH2-OD1 2.74Å; R199-D224 PolarHBondContact NH2-OD1 2.96Å; R199-D224 IonicContact NH2-OD2 2.87Å; R199-D224 PolarHBondContact NH2-OD2 3.2Å; R199-V241 HydrophobicContact CB-CG1 4.33Å
200	E	98.1	Very high	98.7	Very high	54 Å²	54	29.6 Å²	29.6	25%	0.252	15%	0.147	S	C	.	.			trans	-71.2	152.9	168.2	-65.4	175.3	-174.5	0	0	111.9	R202 H203 L221	E200-R202 HydrophobicContact CB-CG 4.25Å; E200-R202 PolarHBondContact O-N 3.23Å; E200-R202 VanDerWaalsContact O-N 3.15Å; E200-R202 IonicContact OE1-NH2 3.83Å; E200-R202 IonicContact OE2-CZ 3.17Å; E200-R202 IonicContact OE2-NE 2.95Å; E200-R202 PolarHBondContact OE2-NE 3.18Å; E200-R202 IonicContact OE2-NH2 3.89Å; E200-R202 PolarHBondContact OE2-NH2 2.74Å; E200-H203 PolarHBondContact O-N 3.17Å; E200-H203 VanDerWaalsContact O-N 3.16Å; E200-H203 IonicContact OE2-CE1 3.93Å; E200-L221 HydrophobicContact CG-CD2 4.14Å
201	P	97.9	Very high	98.6	Very high	86 Å²	86	34 Å²	34	56%	0.558	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-25.8	-179.4	-27.2	35.5	0	0	0	115.8	H203 G220 L222	P201-H203 VanDerWaalsContact C-N 3.32Å; P201-G220 WeakPolarHBondContact CD-O 3.21Å; P201-G220 WeakPolarHBondContact CG-O 3.45Å; P201-L222 HydrophobicContact CB-CD1 4.24Å; P201-L222 HydrophobicContact CG-CD1 4.41Å; P201-L222 HydrophobicContact CG-CG 4.41Å
202	R	96.5	Very high	98.6	Very high	154 Å²	154	38.1 Å²	38.1	58%	0.581	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-18.8	180	64.1	171.5	167.7	164.3	-0.4	114.3	E200	E200-R202 HydrophobicContact CB-CG 4.25Å; E200-R202 PolarHBondContact O-N 3.23Å; E200-R202 VanDerWaalsContact O-N 3.15Å; E200-R202 IonicContact OE1-NH2 3.83Å; E200-R202 IonicContact OE2-CZ 3.17Å; E200-R202 IonicContact OE2-NE 2.95Å; E200-R202 PolarHBondContact OE2-NE 3.18Å; E200-R202 IonicContact OE2-NH2 3.89Å; E200-R202 PolarHBondContact OE2-NH2 2.74Å
203	H	98.6	Very high	98.6	Very high	18 Å²	18	40.8 Å²	40.8	8%	0.083	20%	0.2	C	C	.	.	S	Bend	trans	-98.3	159.9	178.8	-59	126.2	0	0	0	110.3	R199 E200 P201 V241 S242	R199-H203 WeakPolarHBondContact CD-O 3.26Å; R199-H203 PolarHBondContact NE-O 3.1Å; R199-H203 PolarHBondContact NH1-O 3.35Å; E200-H203 PolarHBondContact O-N 3.17Å; E200-H203 VanDerWaalsContact O-N 3.16Å; E200-H203 IonicContact OE2-CE1 3.93Å; P201-H203 VanDerWaalsContact C-N 3.32Å; H203-V241 HydrophobicContact CB-CG1 3.79Å; H203-S242 CarbonylContact C-O 3.51Å; H203-S242 WeakPolarHBondContact CA-O 3.22Å; H203-S242 WeakPolarHBondContact CB-O 3.42Å
204	I	98.8	Very high	98.6	Very high	58 Å²	58	43.5 Å²	43.5	30%	0.297	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	159.8	159.8	63.1	167.2	0	0	0	109.3	I206 V241 S242 F244 Y260	I204-I206 HydrophobicContact CD1-CG2 4.34Å; I204-V241 WeakPolarHBondContact O-CA 3.38Å; I204-S242 WeakPolarHBondContact CG1-O 3.39Å; I204-S242 PolarHBondContact N-O 3.44Å; I204-S242 PolarHBondContact O-N 3.12Å; I204-F244 HydrophobicContact CD1-CB 4.47Å; I204-F244 WeakPolarHBondContact CD1-O 3.5Å; I204-Y260 HydrophobicContact CD1-CD1 4.18Å; I204-Y260 HydrophobicContact CD1-CE1 3.88Å
205	A	98.9	Very high	98.6	Very high	7 Å²	7	44.8 Å²	44.8	6%	0.058	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	136	163.6	0	0	0	0	0	109.1	I197 D224 F226 I240 V241	I197-A205 HydrophobicContact CB-CB 3.86Å; I197-A205 HydrophobicContact CG1-CB 4.32Å; I197-A205 HydrophobicContact CG2-CB 3.72Å; A205-D224 HydrophobicContact CB-CB 4.43Å; A205-F226 HydrophobicContact CB-CE2 4.4Å; A205-F226 HydrophobicContact CB-CZ 4.04Å; A205-F226 WeakPolarHBondContact O-CZ 3.13Å; A205-I240 WeakPolarHBondContact CA-O 3.1Å; A205-V241 HydrophobicContact CB-CG2 4.4Å
206	I	98.9	Very high	98.5	Very high	11 Å²	11	52.8 Å²	52.8	6%	0.056	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	148.8	170.3	59	-180	0	0	0	109.1	I204 Y239 I240 Y260 L314	I204-I206 HydrophobicContact CD1-CG2 4.34Å; I206-Y239 CarbonylContact O-C 3.56Å; I206-Y239 VanDerWaalsContact O-CA 3.26Å; I206-Y239 WeakPolarHBondContact O-CA 3.33Å; I206-I240 HydrophobicContact CD1-CB 4.4Å; I206-I240 HydrophobicContact CD1-CD1 4.24Å; I206-I240 HydrophobicContact CG1-CB 3.85Å; I206-I240 HydrophobicContact CG1-CD1 4.41Å; I206-I240 HydrophobicContact CG1-CG1 4.49Å; I206-I240 PolarHBondContact N-O 3.42Å; I206-I240 PolarHBondContact O-N 3.35Å; I206-Y260 HydrophobicContact CD1-CD1 4.06Å; I206-Y260 HydrophobicContact CD1-CD2 4.11Å; I206-Y260 HydrophobicContact CD1-CE1 4.25Å; I206-Y260 HydrophobicContact CD1-CE2 4.29Å; I206-Y260 HydrophobicContact CD1-CG 4Å; I206-Y260 HydrophobicContact CG2-CE1 3.98Å; I206-L314 HydrophobicContact CB-CD2 4.47Å; I206-L314 HydrophobicContact CD1-CD1 3.65Å; I206-L314 HydrophobicContact CD1-CD2 4.43Å; I206-L314 HydrophobicContact CG1-CD1 4.1Å; I206-L314 HydrophobicContact CG1-CD2 4Å
207	S	98.9	Very high	98.4	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.007	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	-174.4	-179.2	-173.7	0	0	0	0	109.8	I195 M209 A238 K295	I195-S207 VanDerWaalsContact CD1-OG 3.25Å; I195-S207 WeakPolarHBondContact CD1-OG 3.32Å; S207-M209 VanDerWaalsContact C-N 3.29Å; S207-M209 PolarHBondContact O-N 2.85Å; S207-A238 WeakPolarHBondContact CA-O 3.32Å; S207-A238 WeakPolarHBondContact CB-O 3.41Å; S207-A238 PolarHBondContact OG-O 3.16Å; S207-K295 PolarHBondContact O-NZ 3.15Å
208	N	98.9	Very high	98.1	Very high	1 Å²	1	59 Å²	59	1%	0.005	31%	0.305	C	S	.	.	S	Bend	trans	-51.2	-45.1	-179.2	-62.1	97	0	0	0	113.1	T229 M232 L236 A238 K295 W312	N208-T229 HydrophobicContact CB-CG2 4Å; N208-M232 HydrophobicContact CB-CE 4.48Å; N208-L236 PolarHBondContact ND2-O 2.81Å; N208-A238 PolarHBondContact N-O 2.69Å; N208-A238 PolarHBondContact OD1-N 3.22Å; N208-A238 PolarHBondContact OD1-O 3.48Å; N208-K295 WeakPolarHBondContact O-CE 3.36Å; N208-K295 PolarHBondContact O-NZ 3.15Å; N208-K295 VanDerWaalsContact O-NZ 3.15Å; N208-W312 WeakPolarHBondContact CA-O 3.45Å; N208-W312 VanDerWaalsContact CB-O 3.23Å; N208-W312 WeakPolarHBondContact CB-O 3.42Å; N208-W312 PolarHBondContact ND2-O 2.81Å
209	M	98.9	Very high	97.8	Very high	14 Å²	14	61.8 Å²	61.8	7%	0.069	34%	0.34	C	S	.	.	S	Bend	trans	-102.7	164.3	-174.3	-65.3	-56.7	-72.2	0	0	112.7	S207 F226 D227 T229 L293	S207-M209 VanDerWaalsContact C-N 3.29Å; S207-M209 PolarHBondContact O-N 2.85Å; M209-F226 HydrophobicContact CB-CB 4.49Å; M209-F226 VanDerWaalsContact O-CD1 3.26Å; M209-F226 WeakPolarHBondContact O-CD1 3.49Å; M209-D227 HydrophobicContact CB-CB 3.98Å; M209-D227 WeakPolarHBondContact CB-O 3.37Å; M209-D227 HydrophobicContact CE-CB 4.23Å; M209-D227 VanDerWaalsContact CG-O 3.28Å; M209-D227 WeakPolarHBondContact CG-O 3.43Å; M209-T229 HydrophobicContact CG-CG2 3.64Å; M209-T229 HydrophobicContact SD-CG2 4.46Å; M209-L293 HydrophobicContact CE-CD2 4.33Å; M209-L293 HydrophobicContact SD-CD1 4.02Å; M209-L293 HydrophobicContact SD-CD2 3.84Å; M209-L293 HydrophobicContact SD-CG 4.39Å
210	P	98.8	Very high	97.6	Very high	39 Å²	39	63.4 Å²	63.4	25%	0.253	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-60.2	148.1	171.3	-19.2	29.9	0	0	0	112.2	V212 F226 D227 P294 K295	P210-V212 PolarHBondContact O-N 3.32Å; P210-F226 WeakPolarHBondContact O-CA 3.35Å; P210-D227 PolarHBondContact O-N 3.49Å; P210-P294 HydrophobicContact CG-CB 4.26Å; P210-P294 HydrophobicContact CG-CG 3.32Å; P210-K295 HydrophobicContact CG-CG 3.86Å
211	K	98.7	Very high	97.6	Very high	99 Å²	99	62.8 Å²	62.8	43%	0.43	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	122.4	168.3	-176.8	171.1	65.4	169.3	0	110	T214 D224 H225 F226	K211-T214 WeakPolarHBondContact CD-OG1 3.32Å; K211-T214 PolarHBondContact NZ-OG1 3.35Å; K211-D224 HydrophobicContact CD-CB 3.73Å; K211-D224 VanDerWaalsContact CD-CG 3.42Å; K211-D224 WeakPolarHBondContact CD-OD1 3.41Å; K211-D224 HydrophobicContact CG-CB 4.4Å; K211-D224 IonicContact NZ-OD1 2.93Å; K211-D224 PolarHBondContact NZ-OD1 3.02Å; K211-D224 IonicContact NZ-OD2 2.85Å; K211-H225 CarbonylContact C-O 3.59Å; K211-H225 WeakPolarHBondContact CA-O 3.09Å; K211-F226 HydrophobicContact CB-CD1 4.13Å; K211-F226 HydrophobicContact CB-CE1 4.02Å
212	V	98.5	Very high	97.6	Very high	86 Å²	86	60.1 Å²	60.1	52%	0.521	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	-36.1	178.8	-66.2	0	0	0	0	112.5	P210 H225 D227	P210-V212 PolarHBondContact O-N 3.32Å; V212-H225 HydrophobicContact CG2-CB 3.79Å; V212-H225 WeakPolarHBondContact CG2-O 3.3Å; V212-H225 PolarHBondContact N-O 3.16Å; V212-D227 HydrophobicContact CG1-CB 3.72Å
213	K	98.4	Very high	97.8	Very high	112 Å²	112	54.4 Å²	54.4	49%	0.487	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	162.8	176.2	63.8	-178.9	-179.9	-175	0	112	V215 H225	K213-V215 HydrophobicContact CD-CG2 4.22Å; K213-V215 HydrophobicContact CG-CG2 4.47Å; K213-H225 WeakPolarHBondContact CE-ND1 3.45Å; K213-H225 HydrophobicContact CG-CB 3.77Å; K213-H225 PolarHBondContact N-O 2.76Å; K213-H225 PolarHBondContact O-N 2.82Å
214	T	98.8	Very high	97.8	Very high	58 Å²	58	53.6 Å²	53.6	36%	0.356	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	132.9	167.5	-60.7	0	0	0	0	108	K211 L222 E223 D224	K211-T214 WeakPolarHBondContact CD-OG1 3.32Å; K211-T214 PolarHBondContact NZ-OG1 3.35Å; T214-L222 HydrophobicContact CG2-CB 3.87Å; T214-L222 HydrophobicContact CG2-CD1 4.28Å; T214-L222 HydrophobicContact CG2-CD2 4.19Å; T214-L222 HydrophobicContact CG2-CG 4.34Å; T214-E223 CarbonylContact C-O 3.32Å; T214-E223 WeakPolarHBondContact CA-O 3.2Å; T214-D224 WeakPolarHBondContact CB-OD1 3.48Å; T214-D224 VanDerWaalsContact CG2-OD1 3.26Å; T214-D224 WeakPolarHBondContact CG2-OD1 3.37Å; T214-D224 PolarHBondContact OG1-OD1 3.47Å
215	V	98.4	Very high	97.8	Very high	54 Å²	54	52.3 Å²	52.3	33%	0.327	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	134.9	178.2	-177.1	0	0	0	0	109.3	K213 L222 E223	K213-V215 HydrophobicContact CD-CG2 4.22Å; K213-V215 HydrophobicContact CG-CG2 4.47Å; V215-L222 CarbonylContact O-C 3.59Å; V215-L222 WeakPolarHBondContact O-CA 3.33Å; V215-E223 PolarHBondContact N-O 3.36Å; V215-E223 PolarHBondContact O-N 3.15Å
216	E	98.1	Very high	97.8	Very high	170 Å²	170	52.4 Å²	52.4	79%	0.794	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	129.6	171.5	-67.5	-177.3	-175.4	0	0	110.4	L222	E216-L222 HydrophobicContact CB-CD2 4.43Å; E216-L222 HydrophobicContact CG-CD2 3.72Å
217	L	97	Very high	97.8	Very high	51 Å²	51	55.6 Å²	55.6	27%	0.267	33%	0.326	S	S	.	.			trans	-106.4	160	176	-64.3	-173.3	0	0	0	111.2	I198 G220 L221 E223	I198-L217 HydrophobicContact CD1-CD1 4.07Å; I198-L217 HydrophobicContact CG1-CD1 4.04Å; I198-L217 HydrophobicContact CG2-CD1 4.05Å; L217-G220 PolarHBondContact O-N 3.07Å; L217-L221 HydrophobicContact CB-CB 4.28Å; L217-L221 PolarHBondContact N-O 3.38Å; L217-E223 HydrophobicContact CD1-CB 3.9Å; L217-E223 HydrophobicContact CD2-CB 4.46Å; L217-E223 HydrophobicContact CG-CB 4.06Å
218	P	92.4	Very high	97.8	Very high	124 Å²	124	58.2 Å²	58.2	81%	0.805	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-52.5	145.3	170.7	-25.3	34.9	0	0	0	112.1	G220	P218-G220 VanDerWaalsContact C-N 3.33Å
219	G	91.4	Very high	97.8	Very high	84 Å²	84	58.4 Å²	58.4	87%	0.866	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	81.9	7.6	-177.7	0	0	0	0	0	114.7	L221	G219-L221 VanDerWaalsContact C-N 3.34Å
220	G	94.9	Very high	97.8	Very high	50 Å²	50	59.2 Å²	59.2	52%	0.515	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	80.1	14.1	175.1	0	0	0	0	0	114.3	P201 L217 P218	P201-G220 WeakPolarHBondContact CD-O 3.21Å; P201-G220 WeakPolarHBondContact CG-O 3.45Å; L217-G220 PolarHBondContact O-N 3.07Å; P218-G220 VanDerWaalsContact C-N 3.33Å
221	L	98.2	Very high	97.8	Very high	42 Å²	42	61.9 Å²	61.9	22%	0.22	36%	0.356	C	S	.	.			trans	-80.3	157.4	173.4	-64.3	175	0	0	0	110.8	I198 E200 L217 G219	I198-L221 HydrophobicContact CG2-CB 4.08Å; I198-L221 HydrophobicContact CG2-CD1 3.99Å; E200-L221 HydrophobicContact CG-CD2 4.14Å; L217-L221 HydrophobicContact CB-CB 4.28Å; L217-L221 PolarHBondContact N-O 3.38Å; G219-L221 VanDerWaalsContact C-N 3.34Å
222	L	98.7	Very high	97.8	Very high	30 Å²	30	57.2 Å²	57.2	16%	0.157	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	135.4	176.6	-60.2	179.8	0	0	0	109.4	I198 R199 P201 T214 V215 E216	I198-L222 CarbonylContact C-O 3.58Å; I198-L222 WeakPolarHBondContact CA-O 3.35Å; R199-L222 PolarHBondContact N-O 3.1Å; R199-L222 PolarHBondContact O-N 3.43Å; P201-L222 HydrophobicContact CB-CD1 4.24Å; P201-L222 HydrophobicContact CG-CD1 4.41Å; P201-L222 HydrophobicContact CG-CG 4.41Å; T214-L222 HydrophobicContact CG2-CB 3.87Å; T214-L222 HydrophobicContact CG2-CD1 4.28Å; T214-L222 HydrophobicContact CG2-CD2 4.19Å; T214-L222 HydrophobicContact CG2-CG 4.34Å; V215-L222 CarbonylContact O-C 3.59Å; V215-L222 WeakPolarHBondContact O-CA 3.33Å; E216-L222 HydrophobicContact CB-CD2 4.43Å; E216-L222 HydrophobicContact CG-CD2 3.72Å
223	E	98.8	Very high	97.8	Very high	34 Å²	34	53.1 Å²	53.1	16%	0.159	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	111.2	172.4	-169.8	176.4	94.2	0	0	109.7	R196 I197 I198 T214 V215 L217 H225	R196-E223 HydrophobicContact CB-CG 4.34Å; I197-E223 WeakPolarHBondContact O-CA 3.4Å; I198-E223 HydrophobicContact CG1-CB 4.18Å; I198-E223 HydrophobicContact CG1-CG 3.85Å; I198-E223 WeakPolarHBondContact CG1-OE2 3.43Å; T214-E223 CarbonylContact C-O 3.32Å; T214-E223 WeakPolarHBondContact CA-O 3.2Å; V215-E223 PolarHBondContact N-O 3.36Å; V215-E223 PolarHBondContact O-N 3.15Å; L217-E223 HydrophobicContact CD1-CB 3.9Å; L217-E223 HydrophobicContact CD2-CB 4.46Å; L217-E223 HydrophobicContact CG-CB 4.06Å; E223-H225 IonicContact OE1-CD2 2.96Å; E223-H225 IonicContact OE1-CE1 3.51Å; E223-H225 IonicContact OE1-NE2 2.67Å; E223-H225 PolarHBondContact OE1-NE2 3.46Å
224	D	98.9	Very high	97.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	127	175	-73.3	-23.6	0	0	0	109.7	R196 I197 R199 A205 K211 T214 F226	R196-D224 VanDerWaalsContact CA-O 3.28Å; R196-D224 WeakPolarHBondContact CA-O 3.34Å; I197-D224 PolarHBondContact N-O 2.97Å; I197-D224 PolarHBondContact O-N 3.27Å; R199-D224 IonicContact CZ-OD1 3.38Å; R199-D224 IonicContact CZ-OD2 2.72Å; R199-D224 IonicContact NE-OD2 2.7Å; R199-D224 PolarHBondContact NE-OD2 3.42Å; R199-D224 VanDerWaalsContact NH2-CG 3.3Å; R199-D224 IonicContact NH2-OD1 2.74Å; R199-D224 PolarHBondContact NH2-OD1 2.96Å; R199-D224 IonicContact NH2-OD2 2.87Å; R199-D224 PolarHBondContact NH2-OD2 3.2Å; A205-D224 HydrophobicContact CB-CB 4.43Å; K211-D224 HydrophobicContact CD-CB 3.73Å; K211-D224 VanDerWaalsContact CD-CG 3.42Å; K211-D224 WeakPolarHBondContact CD-OD1 3.41Å; K211-D224 HydrophobicContact CG-CB 4.4Å; K211-D224 IonicContact NZ-OD1 2.93Å; K211-D224 PolarHBondContact NZ-OD1 3.02Å; K211-D224 IonicContact NZ-OD2 2.85Å; T214-D224 WeakPolarHBondContact CB-OD1 3.48Å; T214-D224 VanDerWaalsContact CG2-OD1 3.26Å; T214-D224 WeakPolarHBondContact CG2-OD1 3.37Å; T214-D224 PolarHBondContact OG1-OD1 3.47Å; D224-F226 HydrophobicContact CB-CE2 4.08Å; D224-F226 HydrophobicContact CB-CZ 4.24Å
225	H	98.9	Very high	97.8	Very high	32 Å²	32	45.2 Å²	45.2	15%	0.148	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	125.1	176.8	-69.3	-143.4	0	0	0	108.1	K211 V212 K213 E223	K211-H225 CarbonylContact C-O 3.59Å; K211-H225 WeakPolarHBondContact CA-O 3.09Å; V212-H225 HydrophobicContact CG2-CB 3.79Å; V212-H225 WeakPolarHBondContact CG2-O 3.3Å; V212-H225 PolarHBondContact N-O 3.16Å; K213-H225 WeakPolarHBondContact CE-ND1 3.45Å; K213-H225 HydrophobicContact CG-CB 3.77Å; K213-H225 PolarHBondContact N-O 2.76Å; K213-H225 PolarHBondContact O-N 2.82Å; E223-H225 IonicContact OE1-CD2 2.96Å; E223-H225 IonicContact OE1-CE1 3.51Å; E223-H225 IonicContact OE1-NE2 2.67Å; E223-H225 PolarHBondContact OE1-NE2 3.46Å
226	F	98.9	Very high	97.8	Very high	9 Å²	9	42.6 Å²	42.6	4%	0.039	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	152.4	174.8	-61.3	-84.4	0	0	0	110.5	I195 I197 A205 M209 P210 K211 D224	I195-F226 HydrophobicContact CB-CD2 4.33Å; I195-F226 HydrophobicContact CG2-CD2 4.17Å; I195-F226 WeakPolarHBondContact O-CD2 3.15Å; I195-F226 PolarHBondContact O-N 3.1Å; I197-F226 HydrophobicContact CB-CE2 4.26Å; I197-F226 HydrophobicContact CG1-CD2 4.47Å; I197-F226 HydrophobicContact CG1-CE2 3.76Å; A205-F226 HydrophobicContact CB-CE2 4.4Å; A205-F226 HydrophobicContact CB-CZ 4.04Å; A205-F226 WeakPolarHBondContact O-CZ 3.13Å; M209-F226 HydrophobicContact CB-CB 4.49Å; M209-F226 VanDerWaalsContact O-CD1 3.26Å; M209-F226 WeakPolarHBondContact O-CD1 3.49Å; P210-F226 WeakPolarHBondContact O-CA 3.35Å; K211-F226 HydrophobicContact CB-CD1 4.13Å; K211-F226 HydrophobicContact CB-CE1 4.02Å; D224-F226 HydrophobicContact CB-CE2 4.08Å; D224-F226 HydrophobicContact CB-CZ 4.24Å
227	D	98.8	Very high	97.9	Very high	77 Å²	77	34.5 Å²	34.5	41%	0.412	22%	0.219	S	C	.	.	P	Polyproline II helix	trans	-62.5	158.3	174.1	-151.8	-8.5	0	0	0	110.9	M209 P210 V212 T229	M209-D227 HydrophobicContact CB-CB 3.98Å; M209-D227 WeakPolarHBondContact CB-O 3.37Å; M209-D227 HydrophobicContact CE-CB 4.23Å; M209-D227 VanDerWaalsContact CG-O 3.28Å; M209-D227 WeakPolarHBondContact CG-O 3.43Å; P210-D227 PolarHBondContact O-N 3.49Å; V212-D227 HydrophobicContact CG1-CB 3.72Å; D227-T229 PolarHBondContact O-N 2.81Å
228	T	98.9	Very high	98	Very high	56 Å²	56	32.1 Å²	32.1	34%	0.344	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-71.1	131	178	-60.6	0	0	0	0	110.1	N192 F193 T194	N192-T228 HydrophobicContact CB-CG2 3.93Å; F193-T228 CarbonylContact O-C 3.56Å; F193-T228 WeakPolarHBondContact O-CA 3.35Å; T194-T228 PolarHBondContact OG1-OG1 3.21Å
229	T	98.9	Very high	98.3	Very high	5 Å²	5	26.2 Å²	26.2	3%	0.031	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-65.8	160.4	176.8	70.8	0	0	0	0	111.4	N192 F193 N208 M209 D227 M232	N192-T229 PolarHBondContact ND2-O 3.29Å; F193-T229 HydrophobicContact CB-CG2 4Å; F193-T229 PolarHBondContact N-OG1 2.98Å; F193-T229 PolarHBondContact O-N 3.42Å; N208-T229 HydrophobicContact CB-CG2 4Å; M209-T229 HydrophobicContact CG-CG2 3.64Å; M209-T229 HydrophobicContact SD-CG2 4.46Å; D227-T229 PolarHBondContact O-N 2.81Å; T229-M232 HydrophobicContact CG2-CE 3.69Å; T229-M232 HydrophobicContact CG2-SD 4.08Å
230	V	98.8	Very high	98.6	Very high	32 Å²	32	22.2 Å²	22.2	19%	0.194	13%	0.127	C	C	.	.	P	Polyproline II helix	trans	-62.2	171.7	157.3	-61.5	0	0	0	0	110.8	M232 L293 W312 Y460	V230-M232 PolarHBondContact O-N 3.5Å; V230-L293 HydrophobicContact CG1-CD2 3.91Å; V230-L293 HydrophobicContact CG2-CD2 4.02Å; V230-W312 HydrophobicContact CG2-CD2 4.14Å; V230-W312 HydrophobicContact CG2-CE3 3.71Å; V230-W312 HydrophobicContact CG2-CH2 3.63Å; V230-W312 HydrophobicContact CG2-CZ2 4.07Å; V230-W312 HydrophobicContact CG2-CZ3 3.43Å; V230-W312 VanDerWaalsContact CG2-CZ3 3.43Å; V230-Y460 HydrophobicContact CB-CD1 4.25Å; V230-Y460 HydrophobicContact CB-CE1 3.78Å; V230-Y460 HydrophobicContact CG1-CE1 4.12Å; V230-Y460 HydrophobicContact CG2-CD1 4.35Å; V230-Y460 HydrophobicContact CG2-CE1 3.89Å
231	K	98.8	Very high	98.8	Very high	94 Å²	94	20 Å²	20	41%	0.409	10%	0.103	S	C	.	.	S	Bend	trans	-67.4	117.2	175.8	178.3	172.6	178.2	-172.7	0	109.7	K190 A191 N192	K190-K231 HydrophobicContact CB-CD 4.19Å; K190-K231 VanDerWaalsContact CB-CE 3.46Å; K190-K231 HydrophobicContact CB-CG 3.59Å; K190-K231 HydrophobicContact CD-CG 4.48Å; K190-K231 VanDerWaalsContact O-CE 3.23Å; K190-K231 WeakPolarHBondContact O-CE 3.39Å; A191-K231 WeakPolarHBondContact O-CA 3.42Å; N192-K231 PolarHBondContact ND2-N 3.13Å
232	M	98.9	Very high	98.9	Very high	2 Å²	2	18 Å²	18	1%	0.01	9%	0.092	C	C	.	.	B	Isolated β-bridge	trans	-147.3	166.1	-176.3	71.9	-173.5	-163.5	0	0	111.9	K190 A191 F193 N208 T229 V230 L236 V237 W312	K190-M232 CarbonylContact C-O 3.58Å; K190-M232 WeakPolarHBondContact CA-O 3.48Å; A191-M232 PolarHBondContact N-O 3.17Å; A191-M232 PolarHBondContact O-N 3.25Å; F193-M232 HydrophobicContact CD2-CE 3.75Å; F193-M232 HydrophobicContact CD2-CG 3.96Å; F193-M232 HydrophobicContact CE2-CE 4.26Å; F193-M232 HydrophobicContact CE2-CG 3.94Å; F193-M232 HydrophobicContact CG-CE 4.3Å; N208-M232 HydrophobicContact CB-CE 4.48Å; T229-M232 HydrophobicContact CG2-CE 3.69Å; T229-M232 HydrophobicContact CG2-SD 4.08Å; V230-M232 PolarHBondContact O-N 3.5Å; M232-L236 HydrophobicContact CB-CD1 4.41Å; M232-L236 HydrophobicContact SD-CB 4.42Å; M232-V237 HydrophobicContact CE-CB 4.39Å; M232-V237 HydrophobicContact CE-CG2 3.71Å; M232-W312 HydrophobicContact CB-CE3 3.68Å; M232-W312 HydrophobicContact CB-CZ3 3.95Å; M232-W312 HydrophobicContact SD-CB 4.24Å; M232-W312 HydrophobicContact SD-CE3 4.31Å
233	S	98.9	Very high	98.8	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.091	C	C	.	.			trans	-78.7	155.5	179.6	-55.9	0	0	0	0	111.7	P187 K190 Y235 L236	P187-S233 PolarHBondContact O-OG 2.85Å; K190-S233 WeakPolarHBondContact CE-OG 3.44Å; K190-S233 WeakPolarHBondContact CG-OG 3.25Å; S233-Y235 VanDerWaalsContact C-N 3.28Å; S233-Y235 PolarHBondContact O-N 2.74Å; S233-L236 PolarHBondContact O-N 3.33Å
234	T	98.9	Very high	98.8	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.012	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-60	-35.6	-178.1	47.9	0	0	0	0	113.3	C183 D185 F193 L236 V237	C183-T234 HydrophobicContact CB-CG2 4.08Å; D185-T234 PolarHBondContact OD1-OG1 2.98Å; F193-T234 HydrophobicContact CZ-CG2 4.07Å; T234-L236 PolarHBondContact O-N 2.93Å; T234-L236 VanDerWaalsContact O-N 3.14Å; T234-V237 WeakPolarHBondContact O-CB 3.39Å; T234-V237 WeakPolarHBondContact O-CG2 3.35Å; T234-V237 PolarHBondContact O-N 2.94Å; T234-V237 VanDerWaalsContact O-N 3.14Å
235	Y	98.9	Very high	98.8	Very high	1 Å²	1	20.4 Å²	20.4	0%	0.004	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-65.6	-15.3	-177.9	83	-95.2	0	0	0	113.8	F172 E173 P187 S233 M309 G351 T355 W359 N365	F172-Y235 WeakPolarHBondContact CB-O 3.48Å; E173-Y235 HydrophobicContact CB-CD2 3.8Å; E173-Y235 HydrophobicContact CG-CD2 3.74Å; E173-Y235 HydrophobicContact CG-CE2 4.16Å; E173-Y235 HydrophobicContact CG-CG 4.37Å; E173-Y235 WeakPolarHBondContact OE1-CE2 3.49Å; P187-Y235 HydrophobicContact CB-CD1 4.47Å; P187-Y235 HydrophobicContact CB-CE1 4.37Å; S233-Y235 VanDerWaalsContact C-N 3.28Å; S233-Y235 PolarHBondContact O-N 2.74Å; Y235-M309 HydrophobicContact CD2-CE 3.66Å; Y235-M309 HydrophobicContact CE2-CE 3.77Å; Y235-G351 PolarHBondContact OH-O 2.76Å; Y235-T355 HydrophobicContact CE1-CG2 3.88Å; Y235-W359 HydrophobicContact CD1-CH2 4.02Å; Y235-W359 HydrophobicContact CD1-CZ2 4.41Å; Y235-W359 HydrophobicContact CE1-CH2 4.34Å; Y235-W359 HydrophobicContact CG-CH2 4.14Å; Y235-N365 PolarHBondContact OH-ND2 2.84Å
236	L	98.9	Very high	98.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-93.8	-6.8	178.8	-64.8	171.7	0	0	0	113.6	N208 M232 S233 T234 A238 M309 E310 N352	N208-L236 PolarHBondContact ND2-O 2.81Å; M232-L236 HydrophobicContact CB-CD1 4.41Å; M232-L236 HydrophobicContact SD-CB 4.42Å; S233-L236 PolarHBondContact O-N 3.33Å; T234-L236 PolarHBondContact O-N 2.93Å; T234-L236 VanDerWaalsContact O-N 3.14Å; L236-A238 PolarHBondContact O-N 2.97Å; L236-M309 HydrophobicContact CD2-CE 3.96Å; L236-E310 HydrophobicContact CD2-CG 3.76Å; L236-N352 HydrophobicContact CD1-CB 4.07Å; L236-N352 VanDerWaalsContact CD1-OD1 3.25Å; L236-N352 WeakPolarHBondContact CD1-OD1 3.43Å; L236-N352 WeakPolarHBondContact CD2-OD1 3.26Å
237	V	98.9	Very high	98.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.128	C	C	.	.			trans	-64.1	130.3	175.1	176	0	0	0	0	108.5	F172 F181 F193 I195 M232 T234 Y239	F172-V237 HydrophobicContact CD2-CB 4.06Å; F172-V237 WeakPolarHBondContact CD2-O 3.29Å; F172-V237 HydrophobicContact CE2-CB 3.92Å; F172-V237 HydrophobicContact CE2-CG1 4Å; F172-V237 WeakPolarHBondContact CE2-O 3.42Å; F181-V237 HydrophobicContact CE1-CB 4.47Å; F181-V237 HydrophobicContact CE1-CG1 4.15Å; F181-V237 HydrophobicContact CZ-CB 4.34Å; F181-V237 HydrophobicContact CZ-CG1 4.3Å; F181-V237 HydrophobicContact CZ-CG2 4.24Å; F193-V237 HydrophobicContact CD1-CG2 3.58Å; F193-V237 HydrophobicContact CD2-CG2 4.02Å; F193-V237 HydrophobicContact CE1-CG2 3.51Å; F193-V237 HydrophobicContact CE2-CG2 3.94Å; F193-V237 HydrophobicContact CG-CG2 3.86Å; F193-V237 HydrophobicContact CZ-CG2 3.69Å; I195-V237 HydrophobicContact CD1-CG1 3.95Å; M232-V237 HydrophobicContact CE-CB 4.39Å; M232-V237 HydrophobicContact CE-CG2 3.71Å; T234-V237 WeakPolarHBondContact O-CB 3.39Å; T234-V237 WeakPolarHBondContact O-CG2 3.35Å; T234-V237 PolarHBondContact O-N 2.94Å; T234-V237 VanDerWaalsContact O-N 3.14Å; V237-Y239 HydrophobicContact CG1-CD1 4.22Å; V237-Y239 HydrophobicContact CG1-CE1 4.06Å
238	A	98.9	Very high	98.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.126	C	C	.	.			trans	-140.7	142.2	177.5	0	0	0	0	0	111.9	T170 S207 N208 L236 N311 L314	T170-A238 WeakPolarHBondContact OG1-CA 3.4Å; S207-A238 WeakPolarHBondContact CA-O 3.32Å; S207-A238 WeakPolarHBondContact CB-O 3.41Å; S207-A238 PolarHBondContact OG-O 3.16Å; N208-A238 PolarHBondContact N-O 2.69Å; N208-A238 PolarHBondContact OD1-N 3.22Å; N208-A238 PolarHBondContact OD1-O 3.48Å; L236-A238 PolarHBondContact O-N 2.97Å; A238-N311 HydrophobicContact CB-CB 3.53Å; A238-L314 HydrophobicContact CB-CB 4.4Å; A238-L314 HydrophobicContact CB-CD2 4.11Å; A238-L314 HydrophobicContact CB-CG 4.42Å
239	Y	98.9	Very high	98.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	145	167.3	43.1	-94.7	0	0	0	110.7	L59 I61 F152 T170 F172 I195 I197 I206 V237	L59-Y239 HydrophobicContact CD2-CE1 3.97Å; I61-Y239 HydrophobicContact CG1-CE1 4.42Å; I61-Y239 HydrophobicContact CG1-CE2 4.31Å; I61-Y239 HydrophobicContact CG2-CE2 4.32Å; F152-Y239 HydrophobicContact CD1-CE2 4.01Å; F152-Y239 HydrophobicContact CD2-CD2 4.23Å; F152-Y239 AromaticContact CD2-CE2 3.74Å; F152-Y239 HydrophobicContact CD2-CE2 3.74Å; F152-Y239 AromaticContact CE1-CE2 3.98Å; F152-Y239 HydrophobicContact CE1-CE2 3.98Å; F152-Y239 AromaticContact CE2-CD2 3.87Å; F152-Y239 HydrophobicContact CE2-CD2 3.87Å; F152-Y239 AromaticContact CE2-CE2 3.73Å; F152-Y239 HydrophobicContact CE2-CE2 3.73Å; F152-Y239 AromaticContact CG-CE2 3.9Å; F152-Y239 HydrophobicContact CG-CE2 3.9Å; F152-Y239 HydrophobicContact CZ-CD2 4.09Å; F152-Y239 AromaticContact CZ-CE2 3.86Å; F152-Y239 HydrophobicContact CZ-CE2 3.86Å; T170-Y239 HydrophobicContact CG2-CD1 4.43Å; T170-Y239 HydrophobicContact CG2-CD2 3.71Å; T170-Y239 HydrophobicContact CG2-CE1 4.25Å; T170-Y239 HydrophobicContact CG2-CE2 3.51Å; T170-Y239 HydrophobicContact CG2-CG 4.18Å; T170-Y239 PolarHBondContact OG1-N 2.99Å; T170-Y239 PolarHBondContact OG1-O 3.33Å; F172-Y239 HydrophobicContact CE2-CE1 4.46Å; F172-Y239 HydrophobicContact CZ-CE1 4.33Å; I195-Y239 HydrophobicContact CG2-CD1 4.42Å; I197-Y239 HydrophobicContact CD1-CD1 4.48Å; I197-Y239 HydrophobicContact CD1-CD2 4.09Å; I197-Y239 HydrophobicContact CD1-CG 3.93Å; I206-Y239 CarbonylContact O-C 3.56Å; I206-Y239 VanDerWaalsContact O-CA 3.26Å; I206-Y239 WeakPolarHBondContact O-CA 3.33Å; V237-Y239 HydrophobicContact CG1-CD1 4.22Å; V237-Y239 HydrophobicContact CG1-CE1 4.06Å
240	I	98.9	Very high	98.8	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	134	-178	-58.1	171.6	0	0	0	108.5	A168 A205 I206 A299 I301 L314 T316	A168-I240 WeakPolarHBondContact O-CA 3.4Å; A205-I240 WeakPolarHBondContact CA-O 3.1Å; I206-I240 HydrophobicContact CD1-CB 4.4Å; I206-I240 HydrophobicContact CD1-CD1 4.24Å; I206-I240 HydrophobicContact CG1-CB 3.85Å; I206-I240 HydrophobicContact CG1-CD1 4.41Å; I206-I240 HydrophobicContact CG1-CG1 4.49Å; I206-I240 PolarHBondContact N-O 3.42Å; I206-I240 PolarHBondContact O-N 3.35Å; I240-A299 HydrophobicContact CD1-CB 3.9Å; I240-I301 HydrophobicContact CD1-CD1 3.77Å; I240-L314 HydrophobicContact CD1-CD1 4.22Å; I240-L314 HydrophobicContact CD1-CD2 4.07Å; I240-L314 HydrophobicContact CD1-CG 4.28Å; I240-L314 HydrophobicContact CG1-CD2 4.19Å; I240-T316 HydrophobicContact CD1-CG2 3.91Å
241	V	98.9	Very high	98.8	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.012	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	115.7	169.9	-177.5	0	0	0	0	108.6	P63 L65 A168 I197 R199 H203 I204 A205	P63-V241 HydrophobicContact CG-CB 4.35Å; P63-V241 HydrophobicContact CG-CG2 3.72Å; L65-V241 HydrophobicContact CD1-CB 4.25Å; L65-V241 HydrophobicContact CD1-CG1 3.93Å; L65-V241 HydrophobicContact CD2-CG1 4.18Å; A168-V241 PolarHBondContact N-O 2.99Å; A168-V241 PolarHBondContact O-N 3.41Å; I197-V241 HydrophobicContact CG2-CG2 3.67Å; R199-V241 HydrophobicContact CB-CG1 4.33Å; H203-V241 HydrophobicContact CB-CG1 3.79Å; I204-V241 WeakPolarHBondContact O-CA 3.38Å; A205-V241 HydrophobicContact CB-CG2 4.4Å
242	S	98.6	Very high	98.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	-171.1	-174.1	70.2	0	0	0	0	110.8	H203 I204 F244	H203-S242 CarbonylContact C-O 3.51Å; H203-S242 WeakPolarHBondContact CA-O 3.22Å; H203-S242 WeakPolarHBondContact CB-O 3.42Å; I204-S242 WeakPolarHBondContact CG1-O 3.39Å; I204-S242 PolarHBondContact N-O 3.44Å; I204-S242 PolarHBondContact O-N 3.12Å; S242-F244 WeakPolarHBondContact OG-CD2 3.26Å; S242-F244 VanDerWaalsContact OG-CG 3.24Å; S242-F244 WeakPolarHBondContact OG-CG 3.45Å; S242-F244 PolarHBondContact OG-N 3.07Å
243	D	98.2	Very high	98.4	Very high	24 Å²	24	31.5 Å²	31.5	13%	0.128	17%	0.169	C	C	.	.			trans	-121.6	30	171.5	63	-29.7	0	0	0	111.3	Y157 R165	Y157-D243 PolarHBondContact OH-OD1 3.33Å; Y157-D243 PolarHBondContact OH-OD2 3.17Å; R165-D243 WeakPolarHBondContact CD-OD2 3.43Å; R165-D243 IonicContact CZ-OD2 3.69Å; R165-D243 IonicContact NE-OD2 3.01Å; R165-D243 IonicContact NH1-OD2 3.07Å; R165-D243 PolarHBondContact NH1-OD2 2.79Å
244	F	98.8	Very high	98.4	Very high	7 Å²	7	34 Å²	34	3%	0.031	19%	0.194	C	C	.	.			trans	-61	150.2	178.9	-69	-8.7	0	0	0	112.4	Y157 I167 I204 S242 Y260 A261 V262 I301 P302	Y157-F244 HydrophobicContact CE1-CE1 4.5Å; I167-F244 HydrophobicContact CD1-CZ 3.97Å; I167-F244 HydrophobicContact CG2-CE1 4.15Å; I204-F244 HydrophobicContact CD1-CB 4.47Å; I204-F244 WeakPolarHBondContact CD1-O 3.5Å; S242-F244 WeakPolarHBondContact OG-CD2 3.26Å; S242-F244 VanDerWaalsContact OG-CG 3.24Å; S242-F244 WeakPolarHBondContact OG-CG 3.45Å; S242-F244 PolarHBondContact OG-N 3.07Å; F244-Y260 HydrophobicContact CB-CD1 4.13Å; F244-A261 WeakPolarHBondContact CA-O 3.38Å; F244-A261 VanDerWaalsContact CB-O 3.32Å; F244-A261 WeakPolarHBondContact CB-O 3.47Å; F244-V262 HydrophobicContact CD1-CG1 4.03Å; F244-V262 HydrophobicContact CE1-CG1 3.55Å; F244-V262 HydrophobicContact CZ-CG1 4.44Å; F244-I301 HydrophobicContact CE2-CD1 4.13Å; F244-P302 HydrophobicContact CZ-CG 4.46Å
245	L	98.7	Very high	98.4	Very high	84 Å²	84	34.2 Å²	34.2	44%	0.44	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	163	165.8	-60.1	-175.9	0	0	0	109.5	Y260 A261 P263 I266	L245-Y260 VanDerWaalsContact O-CA 3.3Å; L245-Y260 WeakPolarHBondContact O-CA 3.37Å; L245-A261 PolarHBondContact N-O 3Å; L245-A261 PolarHBondContact O-N 3.25Å; L245-A261 VanDerWaalsContact O-N 3.1Å; L245-P263 HydrophobicContact CD1-CB 3.91Å; L245-P263 HydrophobicContact CD1-CG 4.46Å; L245-P263 HydrophobicContact CG-CB 4.13Å; L245-P263 HydrophobicContact CG-CG 4.16Å; L245-I266 HydrophobicContact CB-CB 4.38Å; L245-I266 HydrophobicContact CB-CD1 3.9Å; L245-I266 HydrophobicContact CB-CG1 3.97Å; L245-I266 HydrophobicContact CD1-CG2 4.47Å
246	S	98.6	Very high	98.4	Very high	53 Å²	53	39.2 Å²	39.2	37%	0.371	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	152.9	174.5	57	0	0	0	0	113	V259	S246-V259 WeakPolarHBondContact CA-O 3.37Å; S246-V259 WeakPolarHBondContact CB-O 2.95Å
247	V	98.7	Very high	98.4	Very high	47 Å²	47	39.2 Å²	39.2	29%	0.285	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	146.2	164	-67.1	0	0	0	0	108.3	S258 V259 I266 T269 L273	V247-S258 CarbonylContact O-C 3.58Å; V247-S258 WeakPolarHBondContact O-CA 3.5Å; V247-V259 HydrophobicContact CG2-CB 4.18Å; V247-V259 PolarHBondContact N-O 3.32Å; V247-V259 PolarHBondContact O-N 2.9Å; V247-I266 HydrophobicContact CG1-CD1 4.28Å; V247-I266 HydrophobicContact CG1-CG1 4.22Å; V247-T269 WeakPolarHBondContact CG2-OG1 3.34Å; V247-L273 HydrophobicContact CB-CD2 4.16Å; V247-L273 HydrophobicContact CG2-CB 4.49Å; V247-L273 HydrophobicContact CG2-CD2 3.86Å
248	S	98.8	Very high	98.4	Very high	54 Å²	54	39.3 Å²	39.3	38%	0.378	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	151.9	-176.8	-55.9	0	0	0	0	113.1	K256 I257 S258	S248-K256 VanDerWaalsContact OG-CE 3.28Å; S248-K256 WeakPolarHBondContact OG-CE 3.45Å; S248-I257 CarbonylContact C-O 3.58Å; S248-I257 WeakPolarHBondContact CA-O 3.22Å; S248-I257 WeakPolarHBondContact CB-O 3.43Å; S248-S258 WeakPolarHBondContact OG-CB 3.16Å; S248-S258 PolarHBondContact OG-OG 2.8Å
249	K	98.7	Very high	98.4	Very high	90 Å²	90	39.3 Å²	39.3	39%	0.391	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	150.4	172.6	-171.7	173.1	-178.7	-171.3	0	108.8	I257 L273 D274 V277	K249-I257 PolarHBondContact N-O 3.45Å; K249-I257 WeakPolarHBondContact O-CA 3.37Å; K249-I257 PolarHBondContact O-N 2.93Å; K249-L273 HydrophobicContact CB-CD1 3.89Å; K249-L273 HydrophobicContact CB-CD2 3.92Å; K249-L273 HydrophobicContact CB-CG 3.92Å; K249-D274 IonicContact NZ-OD1 2.86Å; K249-D274 PolarHBondContact NZ-OD1 3.35Å; K249-V277 HydrophobicContact CB-CG2 3.97Å; K249-V277 HydrophobicContact CD-CG2 4.02Å; K249-V277 HydrophobicContact CG-CG2 4.03Å
250	T	98.6	Very high	98.4	Very high	88 Å²	88	40.7 Å²	40.7	54%	0.54	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	136	178.7	-57.5	0	0	0	0	109.7	V255	T250-V255 CarbonylContact C-O 3.58Å; T250-V255 WeakPolarHBondContact CA-O 3.43Å
251	T	98.4	Very high	98.4	Very high	8 Å²	8	40.7 Å²	40.7	5%	0.049	22%	0.223	C	C	.	.			trans	-70.8	169.5	176	72.4	0	0	0	0	111.9	H253 G254 V255 I257 V277 L280 D281	T251-H253 PolarHBondContact O-N 2.94Å; T251-H253 PolarHBondContact OG1-N 3.04Å; T251-G254 PolarHBondContact O-N 3.37Å; T251-G254 VanDerWaalsContact O-N 3.1Å; T251-G254 PolarHBondContact OG1-N 3.42Å; T251-V255 HydrophobicContact CG2-CB 4.06Å; T251-V255 PolarHBondContact N-O 3.23Å; T251-V255 WeakPolarHBondContact OG1-CB 3.42Å; T251-V255 PolarHBondContact OG1-N 2.71Å; T251-V255 VanDerWaalsContact OG1-N 3.07Å; T251-I257 HydrophobicContact CG2-CD1 3.82Å; T251-I257 HydrophobicContact CG2-CG1 3.58Å; T251-V277 HydrophobicContact CG2-CG1 4.35Å; T251-V277 HydrophobicContact CG2-CG2 4.37Å; T251-L280 HydrophobicContact CG2-CD2 4.14Å; T251-D281 VanDerWaalsContact CB-OD1 3.27Å; T251-D281 WeakPolarHBondContact CB-OD1 3.32Å
252	K	96.6	Very high	98.3	Very high	112 Å²	112	40.7 Å²	40.7	49%	0.487	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-24.4	176.8	83.9	-154.7	166.2	-172	0	112.2	D281 D285	K252-D281 HydrophobicContact CD-CB 3.93Å; K252-D281 VanDerWaalsContact CD-CG 3.5Å; K252-D281 WeakPolarHBondContact CG-OD1 3.21Å; K252-D281 PolarHBondContact N-OD1 2.74Å; K252-D281 VanDerWaalsContact N-OD1 3.07Å; K252-D281 PolarHBondContact N-OD2 2.53Å; K252-D281 PolarHBondContact NZ-O 2.97Å; K252-D285 IonicContact NZ-OD1 3.31Å; K252-D285 PolarHBondContact NZ-OD1 2.82Å; K252-D285 IonicContact NZ-OD2 3.29Å; K252-D285 PolarHBondContact NZ-OD2 2.91Å
253	H	94.6	Very high	98.3	Very high	89 Å²	89	42.5 Å²	42.5	41%	0.412	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	3.4	177.4	-59.3	-68.5	0	0	0	114.1	T251 D281 D284 D285	T251-H253 PolarHBondContact O-N 2.94Å; T251-H253 PolarHBondContact OG1-N 3.04Å; H253-D281 IonicContact CD2-OD1 3.45Å; H253-D281 PolarHBondContact CD2-OD1 2.75Å; H253-D284 VanDerWaalsContact CD2-CB 3.49Å; H253-D284 WeakPolarHBondContact CD2-CB 3.37Å; H253-D284 IonicContact CD2-OD2 3.29Å; H253-D284 PolarHBondContact CD2-OD2 3.02Å; H253-D284 IonicContact CG-OD2 3.44Å; H253-D284 IonicContact NE2-OD2 2.58Å; H253-D285 IonicContact CE1-OD1 3.48Å; H253-D285 PolarHBondContact CE1-OD1 3.31Å; H253-D285 IonicContact NE2-OD1 3.51Å; H253-D285 PolarHBondContact NE2-OD1 3.19Å
254	G	97.6	Very high	98.2	Very high	51 Å²	51	44.3 Å²	44.3	53%	0.526	25%	0.245	S	C	.	.	S	Bend	trans	89.9	7.1	173	0	0	0	0	0	115.4	T251	T251-G254 PolarHBondContact O-N 3.37Å; T251-G254 VanDerWaalsContact O-N 3.1Å; T251-G254 PolarHBondContact OG1-N 3.42Å
255	V	98.7	Very high	98.1	Very high	8 Å²	8	45 Å²	45	5%	0.048	25%	0.248	C	C	.	.			trans	-76.5	130	175.5	-176.7	0	0	0	0	109.1	T250 T251 I257 L280 Y291	T250-V255 CarbonylContact C-O 3.58Å; T250-V255 WeakPolarHBondContact CA-O 3.43Å; T251-V255 HydrophobicContact CG2-CB 4.06Å; T251-V255 PolarHBondContact N-O 3.23Å; T251-V255 WeakPolarHBondContact OG1-CB 3.42Å; T251-V255 PolarHBondContact OG1-N 2.71Å; T251-V255 VanDerWaalsContact OG1-N 3.07Å; V255-I257 HydrophobicContact CG1-CD1 3.98Å; V255-I257 PolarHBondContact O-N 3.06Å; V255-L280 HydrophobicContact CB-CD2 4.18Å; V255-L280 HydrophobicContact CG1-CD2 3.93Å; V255-L280 HydrophobicContact CG2-CD2 4.39Å; V255-Y291 HydrophobicContact CB-CD1 4.49Å; V255-Y291 HydrophobicContact CG1-CD1 3.79Å; V255-Y291 HydrophobicContact CG1-CE1 3.9Å; V255-Y291 HydrophobicContact CG2-CD1 3.87Å
256	K	98.8	Very high	98	Very high	105 Å²	105	42.3 Å²	42.3	46%	0.457	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	113.4	174.2	-174.5	-177.2	176.2	-171.9	0	110.1	S248 P294 K295 Q296	S248-K256 VanDerWaalsContact OG-CE 3.28Å; S248-K256 WeakPolarHBondContact OG-CE 3.45Å; K256-P294 PolarHBondContact N-O 3.06Å; K256-K295 HydrophobicContact CB-CB 4.25Å; K256-K295 CarbonylContact O-C 3.58Å; K256-K295 WeakPolarHBondContact O-CA 3.38Å; K256-K295 VanDerWaalsContact O-CB 3.3Å; K256-K295 WeakPolarHBondContact O-CB 3.44Å; K256-Q296 PolarHBondContact O-N 2.89Å
257	I	98.9	Very high	97.9	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	135.6	171.7	-48.9	-57.1	0	0	0	109.4	S248 K249 T251 V255 L273 A276 V277 L280 Q296 L298	S248-I257 CarbonylContact C-O 3.58Å; S248-I257 WeakPolarHBondContact CA-O 3.22Å; S248-I257 WeakPolarHBondContact CB-O 3.43Å; K249-I257 PolarHBondContact N-O 3.45Å; K249-I257 WeakPolarHBondContact O-CA 3.37Å; K249-I257 PolarHBondContact O-N 2.93Å; T251-I257 HydrophobicContact CG2-CD1 3.82Å; T251-I257 HydrophobicContact CG2-CG1 3.58Å; V255-I257 HydrophobicContact CG1-CD1 3.98Å; V255-I257 PolarHBondContact O-N 3.06Å; I257-L273 HydrophobicContact CB-CD1 4.09Å; I257-L273 HydrophobicContact CG2-CD1 3.87Å; I257-A276 HydrophobicContact CG2-CB 3.93Å; I257-V277 HydrophobicContact CB-CG2 3.95Å; I257-V277 HydrophobicContact CG1-CG2 3.63Å; I257-L280 HydrophobicContact CD1-CD2 3.61Å; I257-Q296 VanDerWaalsContact CA-O 3.26Å; I257-Q296 WeakPolarHBondContact CA-O 3.28Å; I257-Q296 HydrophobicContact CD1-CB 3.68Å; I257-Q296 HydrophobicContact CD1-CG 4.35Å; I257-L298 HydrophobicContact CG2-CD1 3.69Å
258	S	98.9	Very high	97.8	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.014	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	139.2	170	-40.5	0	0	0	0	111.6	V247 S248 Q296 D297 L298	V247-S258 CarbonylContact O-C 3.58Å; V247-S258 WeakPolarHBondContact O-CA 3.5Å; S248-S258 WeakPolarHBondContact OG-CB 3.16Å; S248-S258 PolarHBondContact OG-OG 2.8Å; S258-Q296 PolarHBondContact N-O 2.81Å; S258-D297 VanDerWaalsContact CB-OD1 3.32Å; S258-D297 WeakPolarHBondContact CB-OD1 3.04Å; S258-D297 CarbonylContact O-C 3.55Å; S258-D297 VanDerWaalsContact O-CA 3.31Å; S258-D297 WeakPolarHBondContact O-CA 3.49Å; S258-D297 PolarHBondContact OG-OD1 2.83Å; S258-L298 PolarHBondContact O-N 2.76Å
259	V	98.9	Very high	97.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	123.3	171.6	-175.3	0	0	0	0	108.6	S246 V247 T269 A272 L273 L298 L322	S246-V259 WeakPolarHBondContact CA-O 3.37Å; S246-V259 WeakPolarHBondContact CB-O 2.95Å; V247-V259 HydrophobicContact CG2-CB 4.18Å; V247-V259 PolarHBondContact N-O 3.32Å; V247-V259 PolarHBondContact O-N 2.9Å; V259-T269 HydrophobicContact CB-CG2 4.3Å; V259-T269 HydrophobicContact CG1-CG2 3.59Å; V259-A272 HydrophobicContact CG2-CB 4.33Å; V259-L273 HydrophobicContact CG2-CB 3.79Å; V259-L273 HydrophobicContact CG2-CD1 4.11Å; V259-L298 CarbonylContact C-O 3.54Å; V259-L298 WeakPolarHBondContact CA-O 3.42Å; V259-L298 HydrophobicContact CG2-CB 4.35Å; V259-L322 HydrophobicContact CG1-CD2 3.82Å; V259-L322 HydrophobicContact CG1-CG 4.25Å
260	Y	98.9	Very high	97.7	Very high	30 Å²	30	41.7 Å²	41.7	12%	0.118	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	135	-180	-73.1	-98.7	0	0	0	111.1	I204 I206 F244 L245 D297 L298 A300	I204-Y260 HydrophobicContact CD1-CD1 4.18Å; I204-Y260 HydrophobicContact CD1-CE1 3.88Å; I206-Y260 HydrophobicContact CD1-CD1 4.06Å; I206-Y260 HydrophobicContact CD1-CD2 4.11Å; I206-Y260 HydrophobicContact CD1-CE1 4.25Å; I206-Y260 HydrophobicContact CD1-CE2 4.29Å; I206-Y260 HydrophobicContact CD1-CG 4Å; I206-Y260 HydrophobicContact CG2-CE1 3.98Å; F244-Y260 HydrophobicContact CB-CD1 4.13Å; L245-Y260 VanDerWaalsContact O-CA 3.3Å; L245-Y260 WeakPolarHBondContact O-CA 3.37Å; Y260-D297 HydrophobicContact CD2-CB 4.1Å; Y260-D297 HydrophobicContact CE2-CB 3.94Å; Y260-L298 PolarHBondContact N-O 3.38Å; Y260-A300 PolarHBondContact O-N 2.87Å
261	A	98.7	Very high	97.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	166.7	175.2	0	0	0	0	0	110.8	F244 L245 T269 A300 L323	F244-A261 WeakPolarHBondContact CA-O 3.38Å; F244-A261 VanDerWaalsContact CB-O 3.32Å; F244-A261 WeakPolarHBondContact CB-O 3.47Å; L245-A261 PolarHBondContact N-O 3Å; L245-A261 PolarHBondContact O-N 3.25Å; L245-A261 VanDerWaalsContact O-N 3.1Å; A261-T269 HydrophobicContact CB-CG2 3.84Å; A261-A300 HydrophobicContact CB-CB 4.42Å; A261-L323 HydrophobicContact CB-CD2 4.13Å
262	V	98.1	Very high	97.7	Very high	3 Å²	3	38.7 Å²	38.7	2%	0.018	21%	0.211	C	C	.	.			trans	-56.9	146.3	168.5	-61.4	0	0	0	0	110.2	Y157 F244 D264 K265 I266 P302	Y157-V262 HydrophobicContact CD1-CG1 3.6Å; Y157-V262 HydrophobicContact CD2-CB 4Å; Y157-V262 HydrophobicContact CD2-CG1 3.71Å; Y157-V262 HydrophobicContact CE1-CB 4.46Å; Y157-V262 HydrophobicContact CE1-CG1 3.73Å; Y157-V262 HydrophobicContact CE2-CB 3.84Å; Y157-V262 HydrophobicContact CE2-CG1 3.85Å; Y157-V262 HydrophobicContact CG-CB 4.37Å; Y157-V262 HydrophobicContact CG-CG1 3.57Å; F244-V262 HydrophobicContact CD1-CG1 4.03Å; F244-V262 HydrophobicContact CE1-CG1 3.55Å; F244-V262 HydrophobicContact CZ-CG1 4.44Å; V262-D264 VanDerWaalsContact C-N 3.29Å; V262-D264 PolarHBondContact O-N 3.08Å; V262-D264 VanDerWaalsContact O-N 3.15Å; V262-K265 HydrophobicContact CG2-CB 3.78Å; V262-K265 HydrophobicContact CG2-CD 3.67Å; V262-K265 HydrophobicContact CG2-CG 3.6Å; V262-K265 PolarHBondContact O-N 3.3Å; V262-I266 PolarHBondContact O-N 3.33Å; V262-P302 HydrophobicContact CG1-CG 3.87Å
263	P	97.7	Very high	97.8	Very high	38 Å²	38	34.1 Å²	34.1	25%	0.247	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-50.7	-44.6	-174.2	-29.3	34	0	0	0	114.4	Y157 L245 K265 I266	Y157-P263 WeakPolarHBondContact OH-CD 3.34Å; L245-P263 HydrophobicContact CD1-CB 3.91Å; L245-P263 HydrophobicContact CD1-CG 4.46Å; L245-P263 HydrophobicContact CG-CB 4.13Å; L245-P263 HydrophobicContact CG-CG 4.16Å; P263-K265 PolarHBondContact O-N 3.12Å; P263-K265 VanDerWaalsContact O-N 3.12Å; P263-I266 WeakPolarHBondContact O-CG2 3.45Å; P263-I266 PolarHBondContact O-N 3.13Å
264	D	96.6	Very high	98	Very high	61 Å²	61	33.6 Å²	33.6	33%	0.326	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-70.1	-6.6	-177.4	-69.1	-15.2	0	0	0	114.3	T159 S160 V262 L788	T159-D264 WeakPolarHBondContact CA-OD2 3.03Å; S160-D264 WeakPolarHBondContact CB-OD2 3.25Å; S160-D264 PolarHBondContact N-OD2 3.09Å; S160-D264 PolarHBondContact OG-OD2 2.94Å; V262-D264 VanDerWaalsContact C-N 3.29Å; V262-D264 PolarHBondContact O-N 3.08Å; V262-D264 VanDerWaalsContact O-N 3.15Å; D264-L788 HydrophobicContact CB-CD1 4.33Å
265	K	96.6	Very high	98.1	Very high	23 Å²	23	31.1 Å²	31.1	10%	0.1	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-121.5	8.1	-179.7	-59	-177.4	-173.4	170.5	0	113.5	V262 P263 D267 Q268 E319 L323 L788 M790	V262-K265 HydrophobicContact CG2-CB 3.78Å; V262-K265 HydrophobicContact CG2-CD 3.67Å; V262-K265 HydrophobicContact CG2-CG 3.6Å; V262-K265 PolarHBondContact O-N 3.3Å; P263-K265 PolarHBondContact O-N 3.12Å; P263-K265 VanDerWaalsContact O-N 3.12Å; K265-D267 PolarHBondContact O-N 3.24Å; K265-Q268 WeakPolarHBondContact O-CB 3.39Å; K265-Q268 PolarHBondContact O-N 3.32Å; K265-E319 WeakPolarHBondContact CD-OE1 3.5Å; K265-E319 IonicContact NZ-OE1 3.74Å; K265-E319 PolarHBondContact NZ-OE1 2.83Å; K265-E319 IonicContact NZ-OE2 2.62Å; K265-E319 PolarHBondContact NZ-OE2 3.31Å; K265-L323 HydrophobicContact CB-CD1 3.95Å; K265-L323 HydrophobicContact CD-CD1 3.78Å; K265-L323 HydrophobicContact CG-CD1 4.5Å; K265-L788 WeakPolarHBondContact CE-O 3.1Å; K265-M790 PolarHBondContact NZ-SD 3.02Å; K265-M790 VanDerWaalsContact NZ-SD 3.35Å
266	I	96.8	Very high	98.1	Very high	27 Å²	27	30.8 Å²	30.8	14%	0.138	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-59.9	-31.3	-176.1	-165.3	58.7	0	0	0	112.5	L245 V247 V262 P263 Q268 T269	L245-I266 HydrophobicContact CB-CB 4.38Å; L245-I266 HydrophobicContact CB-CD1 3.9Å; L245-I266 HydrophobicContact CB-CG1 3.97Å; L245-I266 HydrophobicContact CD1-CG2 4.47Å; V247-I266 HydrophobicContact CG1-CD1 4.28Å; V247-I266 HydrophobicContact CG1-CG1 4.22Å; V262-I266 PolarHBondContact O-N 3.33Å; P263-I266 WeakPolarHBondContact O-CG2 3.45Å; P263-I266 PolarHBondContact O-N 3.13Å; I266-Q268 PolarHBondContact O-N 2.95Å; I266-T269 HydrophobicContact CD1-CG2 4.13Å; I266-T269 WeakPolarHBondContact O-CB 3.46Å; I266-T269 WeakPolarHBondContact O-CG2 3.3Å; I266-T269 PolarHBondContact O-N 2.96Å; I266-T269 PolarHBondContact O-OG1 2.86Å
267	D	95.8	Very high	98.1	Very high	152 Å²	152	26.3 Å²	26.3	81%	0.813	15%	0.146	S	C	*	.	G	3₁₀ helix	trans	-68.4	-14.3	179.9	-63.3	-24.8	0	0	0	113.6	K265 T269	K265-D267 PolarHBondContact O-N 3.24Å; D267-T269 VanDerWaalsContact C-N 3.32Å
268	Q	97.2	Very high	98.1	Very high	18 Å²	18	30.8 Å²	30.8	8%	0.084	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-88.5	4.5	178.3	-60.9	175.4	53.9	0	0	113.2	K265 I266 L323 F324 L788	K265-Q268 WeakPolarHBondContact O-CB 3.39Å; K265-Q268 PolarHBondContact O-N 3.32Å; I266-Q268 PolarHBondContact O-N 2.95Å; Q268-L323 HydrophobicContact CB-CB 3.93Å; Q268-L323 HydrophobicContact CB-CD2 4.45Å; Q268-F324 WeakPolarHBondContact CA-O 3.44Å; Q268-F324 PolarHBondContact O-N 2.89Å; Q268-L788 PolarHBondContact NE2-O 3.07Å
269	T	98.2	Very high	98.1	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.012	17%	0.165	C	C	.	.			trans	-93.8	-14.6	-172.6	60.4	0	0	0	0	114.4	V247 V259 A261 I266 D267 F271 A272 L273 L323	V247-T269 WeakPolarHBondContact CG2-OG1 3.34Å; V259-T269 HydrophobicContact CB-CG2 4.3Å; V259-T269 HydrophobicContact CG1-CG2 3.59Å; A261-T269 HydrophobicContact CB-CG2 3.84Å; I266-T269 HydrophobicContact CD1-CG2 4.13Å; I266-T269 WeakPolarHBondContact O-CB 3.46Å; I266-T269 WeakPolarHBondContact O-CG2 3.3Å; I266-T269 PolarHBondContact O-N 2.96Å; I266-T269 PolarHBondContact O-OG1 2.86Å; D267-T269 VanDerWaalsContact C-N 3.32Å; T269-F271 VanDerWaalsContact C-N 3.35Å; T269-F271 PolarHBondContact O-N 3.27Å; T269-A272 PolarHBondContact O-N 2.74Å; T269-L273 PolarHBondContact O-N 2.84Å; T269-L323 HydrophobicContact CG2-CD2 3.82Å
270	A	97.9	Very high	98.1	Very high	59 Å²	59	30.7 Å²	30.7	49%	0.488	17%	0.165	S	C	.	.	H	α-helix	trans	-57.9	-44.1	-170.9	0	0	0	0	0	113	L273 D274	A270-L273 PolarHBondContact O-N 2.65Å; A270-D274 PolarHBondContact O-N 3.18Å; A270-D274 VanDerWaalsContact O-N 3.13Å
271	F	97.9	Very high	98	Very high	33 Å²	33	30.3 Å²	30.3	15%	0.145	17%	0.165	C	C	.	.	H	α-helix	trans	-63.1	-46.2	178.5	175.8	-107	0	0	0	112.3	T269 L273 D274 A275 F324 K334 I337 T338	T269-F271 VanDerWaalsContact C-N 3.35Å; T269-F271 PolarHBondContact O-N 3.27Å; F271-L273 VanDerWaalsContact C-N 3.3Å; F271-L273 PolarHBondContact O-N 3.07Å; F271-D274 PolarHBondContact O-N 2.96Å; F271-A275 WeakPolarHBondContact O-CB 3.45Å; F271-A275 PolarHBondContact O-N 3.03Å; F271-F324 HydrophobicContact CB-CB 3.9Å; F271-F324 HydrophobicContact CB-CD1 3.7Å; F271-F324 HydrophobicContact CB-CG 4.09Å; F271-F324 HydrophobicContact CD1-CB 3.83Å; F271-F324 HydrophobicContact CD1-CD1 4.21Å; F271-F324 HydrophobicContact CD1-CD2 4.49Å; F271-F324 AromaticContact CD1-CG 3.92Å; F271-F324 HydrophobicContact CD1-CG 3.92Å; F271-F324 HydrophobicContact CG-CB 4.17Å; F271-F324 AromaticContact CG-CD1 3.89Å; F271-F324 HydrophobicContact CG-CD1 3.89Å; F271-F324 HydrophobicContact CG-CG 4.08Å; F271-K334 HydrophobicContact CE1-CG 3.97Å; F271-K334 HydrophobicContact CE2-CD 4.33Å; F271-K334 HydrophobicContact CE2-CG 4.12Å; F271-K334 HydrophobicContact CZ-CD 4.26Å; F271-K334 HydrophobicContact CZ-CG 3.58Å; F271-I337 HydrophobicContact CD1-CG2 4.13Å; F271-I337 HydrophobicContact CE1-CB 4.47Å; F271-I337 HydrophobicContact CE1-CG2 4.02Å; F271-T338 VanDerWaalsContact CZ-OG1 3.26Å; F271-T338 WeakPolarHBondContact CZ-OG1 3.4Å
272	A	98.6	Very high	98	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.8	-38.2	178.7	0	0	0	0	0	112.2	V259 T269 A275 A276 L322 I341	V259-A272 HydrophobicContact CG2-CB 4.33Å; T269-A272 PolarHBondContact O-N 2.74Å; A272-A275 PolarHBondContact O-N 3.27Å; A272-A276 VanDerWaalsContact O-CB 3.23Å; A272-A276 WeakPolarHBondContact O-CB 3.24Å; A272-A276 PolarHBondContact O-N 2.86Å; A272-L322 HydrophobicContact CB-CD1 3.63Å; A272-L322 HydrophobicContact CB-CG 4.01Å; A272-L322 WeakPolarHBondContact CB-O 3.49Å; A272-I341 HydrophobicContact CB-CD1 3.74Å
273	L	98.9	Very high	98.1	Very high	16 Å²	16	31.2 Å²	31.2	8%	0.084	17%	0.168	C	C	.	.	H	α-helix	trans	-62	-46.3	176.5	-180	63.3	0	0	0	111.4	V247 K249 I257 V259 T269 A270 F271 V277	V247-L273 HydrophobicContact CB-CD2 4.16Å; V247-L273 HydrophobicContact CG2-CB 4.49Å; V247-L273 HydrophobicContact CG2-CD2 3.86Å; K249-L273 HydrophobicContact CB-CD1 3.89Å; K249-L273 HydrophobicContact CB-CD2 3.92Å; K249-L273 HydrophobicContact CB-CG 3.92Å; I257-L273 HydrophobicContact CB-CD1 4.09Å; I257-L273 HydrophobicContact CG2-CD1 3.87Å; V259-L273 HydrophobicContact CG2-CB 3.79Å; V259-L273 HydrophobicContact CG2-CD1 4.11Å; T269-L273 PolarHBondContact O-N 2.84Å; A270-L273 PolarHBondContact O-N 2.65Å; F271-L273 VanDerWaalsContact C-N 3.3Å; F271-L273 PolarHBondContact O-N 3.07Å; L273-V277 WeakPolarHBondContact O-CG2 3.33Å; L273-V277 PolarHBondContact O-N 3.5Å; L273-V277 VanDerWaalsContact O-N 3.11Å
274	D	98.6	Very high	97.9	Very high	77 Å²	77	29.7 Å²	29.7	41%	0.412	16%	0.159	S	C	.	.	H	α-helix	trans	-67.1	-40.8	178.4	-78.9	-27.1	0	0	0	112.2	K249 A270 F271 K278	K249-D274 IonicContact NZ-OD1 2.86Å; K249-D274 PolarHBondContact NZ-OD1 3.35Å; A270-D274 PolarHBondContact O-N 3.18Å; A270-D274 VanDerWaalsContact O-N 3.13Å; F271-D274 PolarHBondContact O-N 2.96Å; D274-K278 WeakPolarHBondContact O-CB 3.25Å; D274-K278 PolarHBondContact O-N 3.19Å; D274-K278 VanDerWaalsContact O-N 3.08Å
275	A	98.7	Very high	97.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-63.1	-47.4	176.1	0	0	0	0	0	112.2	F271 A272 V277 K278 L279 I341 Y381	F271-A275 WeakPolarHBondContact O-CB 3.45Å; F271-A275 PolarHBondContact O-N 3.03Å; A272-A275 PolarHBondContact O-N 3.27Å; A275-V277 PolarHBondContact O-N 3Å; A275-K278 PolarHBondContact O-N 3.31Å; A275-L279 HydrophobicContact CB-CD1 4.49Å; A275-L279 VanDerWaalsContact O-CB 3.32Å; A275-L279 WeakPolarHBondContact O-CB 3.38Å; A275-L279 WeakPolarHBondContact O-CD1 2.95Å; A275-L279 WeakPolarHBondContact O-CG 3.4Å; A275-L279 PolarHBondContact O-N 3.21Å; A275-I341 HydrophobicContact CB-CD1 4.14Å; A275-Y381 VanDerWaalsContact CA-OH 3.23Å; A275-Y381 WeakPolarHBondContact CA-OH 3.31Å
276	A	98.9	Very high	97.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.2	-41.5	179.5	0	0	0	0	0	112.4	I257 A272 L280 L298 I341 L345	I257-A276 HydrophobicContact CG2-CB 3.93Å; A272-A276 VanDerWaalsContact O-CB 3.23Å; A272-A276 WeakPolarHBondContact O-CB 3.24Å; A272-A276 PolarHBondContact O-N 2.86Å; A276-L280 WeakPolarHBondContact O-CB 3.47Å; A276-L280 PolarHBondContact O-N 2.81Å; A276-L298 HydrophobicContact CB-CD1 3.84Å; A276-L298 HydrophobicContact CB-CD2 3.78Å; A276-I341 HydrophobicContact CB-CG2 4.06Å; A276-L345 HydrophobicContact CB-CD1 4.18Å; A276-L345 WeakPolarHBondContact O-CD1 3.48Å
277	V	98.8	Very high	97.8	Very high	11 Å²	11	30.5 Å²	30.5	7%	0.067	16%	0.162	C	C	.	.	H	α-helix	trans	-61.3	-48.4	175.1	166.6	0	0	0	0	111.1	K249 T251 I257 L273 A275 D281	K249-V277 HydrophobicContact CB-CG2 3.97Å; K249-V277 HydrophobicContact CD-CG2 4.02Å; K249-V277 HydrophobicContact CG-CG2 4.03Å; T251-V277 HydrophobicContact CG2-CG1 4.35Å; T251-V277 HydrophobicContact CG2-CG2 4.37Å; I257-V277 HydrophobicContact CB-CG2 3.95Å; I257-V277 HydrophobicContact CG1-CG2 3.63Å; L273-V277 WeakPolarHBondContact O-CG2 3.33Å; L273-V277 PolarHBondContact O-N 3.5Å; L273-V277 VanDerWaalsContact O-N 3.11Å; A275-V277 PolarHBondContact O-N 3Å; V277-D281 WeakPolarHBondContact O-CB 3.1Å; V277-D281 PolarHBondContact O-N 3.38Å
278	K	98.7	Very high	97.6	Very high	95 Å²	95	26 Å²	26	41%	0.413	14%	0.138	S	C	.	.	H	α-helix	trans	-64	-42.7	-178.2	-170.5	179	-168.8	176.7	0	112.3	D274 A275 F282 T380 Y381	D274-K278 WeakPolarHBondContact O-CB 3.25Å; D274-K278 PolarHBondContact O-N 3.19Å; D274-K278 VanDerWaalsContact O-N 3.08Å; A275-K278 PolarHBondContact O-N 3.31Å; K278-F282 PolarHBondContact O-N 2.91Å; K278-T380 WeakPolarHBondContact CE-O 3.35Å; K278-T380 HydrophobicContact CG-CG2 4.39Å; K278-T380 PolarHBondContact NZ-O 3.36Å; K278-Y381 HydrophobicContact CD-CE2 3.9Å
279	L	98.9	Very high	97.5	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-72.3	-40	-178.7	-74	163.4	0	0	0	112	A275 F282 Y283 I341 A342 L345 L377 T380 Y381	A275-L279 HydrophobicContact CB-CD1 4.49Å; A275-L279 VanDerWaalsContact O-CB 3.32Å; A275-L279 WeakPolarHBondContact O-CB 3.38Å; A275-L279 WeakPolarHBondContact O-CD1 2.95Å; A275-L279 WeakPolarHBondContact O-CG 3.4Å; A275-L279 PolarHBondContact O-N 3.21Å; L279-F282 WeakPolarHBondContact O-CB 3.42Å; L279-F282 PolarHBondContact O-N 2.95Å; L279-F282 VanDerWaalsContact O-N 3.17Å; L279-Y283 HydrophobicContact CB-CE2 4.47Å; L279-Y283 WeakPolarHBondContact O-CD2 3.33Å; L279-Y283 PolarHBondContact O-N 3.12Å; L279-I341 HydrophobicContact CD1-CB 4.32Å; L279-I341 HydrophobicContact CD1-CG2 3.81Å; L279-A342 HydrophobicContact CD1-CB 3.89Å; L279-A342 HydrophobicContact CD2-CB 3.99Å; L279-L345 HydrophobicContact CB-CD1 3.78Å; L279-L377 HydrophobicContact CD2-CD1 3.93Å; L279-T380 HydrophobicContact CD2-CG2 4.32Å; L279-T380 WeakPolarHBondContact CD2-OG1 3.26Å; L279-Y381 HydrophobicContact CG-CE2 4.49Å
280	L	98.8	Very high	97.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65.9	-41.5	175.4	-164.9	70.6	0	0	0	111.3	T251 V255 I257 A276 F282 Y283 D284 Y291 L345 W349	T251-L280 HydrophobicContact CG2-CD2 4.14Å; V255-L280 HydrophobicContact CB-CD2 4.18Å; V255-L280 HydrophobicContact CG1-CD2 3.93Å; V255-L280 HydrophobicContact CG2-CD2 4.39Å; I257-L280 HydrophobicContact CD1-CD2 3.61Å; A276-L280 WeakPolarHBondContact O-CB 3.47Å; A276-L280 PolarHBondContact O-N 2.81Å; L280-F282 PolarHBondContact O-N 3.04Å; L280-Y283 PolarHBondContact O-N 2.88Å; L280-D284 WeakPolarHBondContact O-CB 3.36Å; L280-D284 PolarHBondContact O-N 2.91Å; L280-Y291 HydrophobicContact CD1-CD2 4.02Å; L280-Y291 HydrophobicContact CD1-CG 4.14Å; L280-Y291 HydrophobicContact CD2-CD1 4.23Å; L280-Y291 HydrophobicContact CD2-CG 4.19Å; L280-L345 HydrophobicContact CB-CD1 4.32Å; L280-L345 HydrophobicContact CD1-CD2 4.31Å; L280-W349 HydrophobicContact CD1-CH2 3.7Å; L280-W349 HydrophobicContact CD1-CZ3 3.83Å
281	D	98.6	Very high	97.5	Very high	22 Å²	22	28.2 Å²	28.2	12%	0.118	15%	0.147	C	C	.	.	H	α-helix	trans	-60.4	-32.8	172.5	-85.3	-22.6	0	0	0	112.5	T251 K252 H253 V277 D285	T251-D281 VanDerWaalsContact CB-OD1 3.27Å; T251-D281 WeakPolarHBondContact CB-OD1 3.32Å; K252-D281 HydrophobicContact CD-CB 3.93Å; K252-D281 VanDerWaalsContact CD-CG 3.5Å; K252-D281 WeakPolarHBondContact CG-OD1 3.21Å; K252-D281 PolarHBondContact N-OD1 2.74Å; K252-D281 VanDerWaalsContact N-OD1 3.07Å; K252-D281 PolarHBondContact N-OD2 2.53Å; K252-D281 PolarHBondContact NZ-O 2.97Å; H253-D281 IonicContact CD2-OD1 3.45Å; H253-D281 PolarHBondContact CD2-OD1 2.75Å; V277-D281 WeakPolarHBondContact O-CB 3.1Å; V277-D281 PolarHBondContact O-N 3.38Å; D281-D285 PolarHBondContact O-N 2.86Å
282	F	98.6	Very high	97.6	Very high	21 Å²	21	28.8 Å²	28.8	9%	0.092	15%	0.154	C	C	.	.	H	α-helix	trans	-69.4	-49.6	174.1	166.4	-94.1	0	0	0	111.4	K278 L279 L280 D284 D285 Y286 M372 S376 I379 T380	K278-F282 PolarHBondContact O-N 2.91Å; L279-F282 WeakPolarHBondContact O-CB 3.42Å; L279-F282 PolarHBondContact O-N 2.95Å; L279-F282 VanDerWaalsContact O-N 3.17Å; L280-F282 PolarHBondContact O-N 3.04Å; F282-D284 PolarHBondContact O-N 2.9Å; F282-D285 PolarHBondContact O-N 2.84Å; F282-Y286 HydrophobicContact CE1-CG 4.14Å; F282-Y286 AromaticContact CE2-CD2 3.96Å; F282-Y286 HydrophobicContact CE2-CD2 3.96Å; F282-Y286 HydrophobicContact CE2-CG 4.23Å; F282-Y286 HydrophobicContact CZ-CD1 4.37Å; F282-Y286 AromaticContact CZ-CD2 3.64Å; F282-Y286 HydrophobicContact CZ-CD2 3.64Å; F282-Y286 HydrophobicContact CZ-CE2 4.3Å; F282-Y286 AromaticContact CZ-CG 3.69Å; F282-Y286 HydrophobicContact CZ-CG 3.69Å; F282-Y286 WeakPolarHBondContact O-CB 3.4Å; F282-Y286 PolarHBondContact O-N 2.87Å; F282-M372 HydrophobicContact CE1-CE 4.24Å; F282-S376 VanDerWaalsContact CE1-CB 3.42Å; F282-I379 HydrophobicContact CD2-CB 4.45Å; F282-I379 HydrophobicContact CD2-CG2 4.04Å; F282-I379 HydrophobicContact CE2-CB 3.93Å; F282-I379 HydrophobicContact CE2-CD1 3.59Å; F282-I379 HydrophobicContact CE2-CG1 4.35Å; F282-I379 HydrophobicContact CE2-CG2 3.79Å; F282-I379 HydrophobicContact CZ-CD1 3.89Å; F282-T380 HydrophobicContact CB-CG2 3.62Å; F282-T380 HydrophobicContact CD2-CG2 3.92Å; F282-T380 HydrophobicContact CG-CG2 3.76Å
283	Y	98.7	Very high	97.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-65.9	-38.1	-177.7	-69.5	-52.6	0	0	0	112.8	L279 L280 D285 Y286 F287 A342 L345 A346 W349 M372 S376	L279-Y283 HydrophobicContact CB-CE2 4.47Å; L279-Y283 WeakPolarHBondContact O-CD2 3.33Å; L279-Y283 PolarHBondContact O-N 3.12Å; L280-Y283 PolarHBondContact O-N 2.88Å; Y283-D285 VanDerWaalsContact C-N 3.32Å; Y283-D285 PolarHBondContact O-N 3.4Å; Y283-Y286 PolarHBondContact O-N 3.31Å; Y283-F287 HydrophobicContact CD1-CD2 4.19Å; Y283-F287 AromaticContact CD1-CE2 3.35Å; Y283-F287 HydrophobicContact CD1-CE2 3.35Å; Y283-F287 AromaticContact CD1-CZ 3.8Å; Y283-F287 HydrophobicContact CD1-CZ 3.8Å; Y283-F287 HydrophobicContact CE1-CE2 4.15Å; Y283-F287 HydrophobicContact CE1-CZ 4.24Å; Y283-F287 HydrophobicContact CG-CD2 4.49Å; Y283-F287 AromaticContact CG-CE2 3.92Å; Y283-F287 HydrophobicContact CG-CE2 3.92Å; Y283-F287 WeakPolarHBondContact O-CB 3.47Å; Y283-F287 VanDerWaalsContact O-CD2 3.29Å; Y283-F287 WeakPolarHBondContact O-CD2 3.47Å; Y283-F287 PolarHBondContact O-N 2.91Å; Y283-A342 PolarHBondContact OH-O 2.93Å; Y283-L345 HydrophobicContact CD2-CB 3.91Å; Y283-L345 HydrophobicContact CE2-CB 3.73Å; Y283-A346 HydrophobicContact CE1-CB 4.28Å; Y283-A346 HydrophobicContact CE2-CB 4.32Å; Y283-W349 VanDerWaalsContact CB-CZ3 3.45Å; Y283-W349 HydrophobicContact CD2-CZ3 4.35Å; Y283-W349 HydrophobicContact CG-CZ3 4.18Å; Y283-M372 HydrophobicContact CD1-CE 4.25Å; Y283-M372 HydrophobicContact CE1-CB 4.19Å; Y283-M372 HydrophobicContact CE1-CE 3.7Å; Y283-M372 PolarHBondContact OH-O 2.93Å; Y283-S376 WeakPolarHBondContact OH-CB 3.42Å; Y283-S376 PolarHBondContact OH-OG 3.41Å; Y283-S376 VanDerWaalsContact OH-OG 3.06Å
284	D	94.6	Very high	97.5	Very high	7 Å²	7	31.6 Å²	31.6	4%	0.037	17%	0.172	C	C	.	.	H	α-helix	trans	-54.7	-47.8	172.1	-85.6	-3.4	0	0	0	111.6	H253 L280 F282 D288 Y291 W349	H253-D284 VanDerWaalsContact CD2-CB 3.49Å; H253-D284 WeakPolarHBondContact CD2-CB 3.37Å; H253-D284 IonicContact CD2-OD2 3.29Å; H253-D284 PolarHBondContact CD2-OD2 3.02Å; H253-D284 IonicContact CG-OD2 3.44Å; H253-D284 IonicContact NE2-OD2 2.58Å; L280-D284 WeakPolarHBondContact O-CB 3.36Å; L280-D284 PolarHBondContact O-N 2.91Å; F282-D284 PolarHBondContact O-N 2.9Å; D284-D288 PolarHBondContact O-N 2.94Å; D284-Y291 WeakPolarHBondContact OD1-CB 3.06Å; D284-Y291 PolarHBondContact OD1-N 2.98Å; D284-W349 WeakPolarHBondContact OD1-CH2 3.29Å; D284-W349 VanDerWaalsContact OD1-CZ2 3.25Å; D284-W349 WeakPolarHBondContact OD1-CZ2 3.4Å
285	D	95.5	Very high	97.6	Very high	99 Å²	99	28.6 Å²	28.6	53%	0.529	16%	0.156	S	C	.	.	H	α-helix	trans	-74.1	-41.6	-179.1	-82.5	-5.1	0	0	0	112.7	K252 H253 D281 F282 Y283	K252-D285 IonicContact NZ-OD1 3.31Å; K252-D285 PolarHBondContact NZ-OD1 2.82Å; K252-D285 IonicContact NZ-OD2 3.29Å; K252-D285 PolarHBondContact NZ-OD2 2.91Å; H253-D285 IonicContact CE1-OD1 3.48Å; H253-D285 PolarHBondContact CE1-OD1 3.31Å; H253-D285 IonicContact NE2-OD1 3.51Å; H253-D285 PolarHBondContact NE2-OD1 3.19Å; D281-D285 PolarHBondContact O-N 2.86Å; F282-D285 PolarHBondContact O-N 2.84Å; Y283-D285 VanDerWaalsContact C-N 3.32Å; Y283-D285 PolarHBondContact O-N 3.4Å
286	Y	95.8	Very high	97.6	Very high	29 Å²	29	28.6 Å²	28.6	11%	0.114	16%	0.156	C	C	.	.	H	α-helix	trans	-70.9	-41	-174.3	-174.9	-95	0	0	0	111.5	F282 Y283 M372 I375 E448	F282-Y286 HydrophobicContact CE1-CG 4.14Å; F282-Y286 AromaticContact CE2-CD2 3.96Å; F282-Y286 HydrophobicContact CE2-CD2 3.96Å; F282-Y286 HydrophobicContact CE2-CG 4.23Å; F282-Y286 HydrophobicContact CZ-CD1 4.37Å; F282-Y286 AromaticContact CZ-CD2 3.64Å; F282-Y286 HydrophobicContact CZ-CD2 3.64Å; F282-Y286 HydrophobicContact CZ-CE2 4.3Å; F282-Y286 AromaticContact CZ-CG 3.69Å; F282-Y286 HydrophobicContact CZ-CG 3.69Å; F282-Y286 WeakPolarHBondContact O-CB 3.4Å; F282-Y286 PolarHBondContact O-N 2.87Å; Y283-Y286 PolarHBondContact O-N 3.31Å; Y286-M372 HydrophobicContact CD1-CE 4.02Å; Y286-M372 HydrophobicContact CE1-CE 3.83Å; Y286-M372 HydrophobicContact CE1-SD 4.47Å; Y286-I375 HydrophobicContact CE2-CG2 4.36Å; Y286-E448 HydrophobicContact CE1-CG 4.28Å; Y286-E448 HydrophobicContact CE2-CG 4.17Å
287	F	95.6	Very high	97.6	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-86	-9.3	178.6	-60.1	-48.7	0	0	0	113.8	Y283 I289 W349 F350 M372 I451 I452 L455	Y283-F287 HydrophobicContact CD1-CD2 4.19Å; Y283-F287 AromaticContact CD1-CE2 3.35Å; Y283-F287 HydrophobicContact CD1-CE2 3.35Å; Y283-F287 AromaticContact CD1-CZ 3.8Å; Y283-F287 HydrophobicContact CD1-CZ 3.8Å; Y283-F287 HydrophobicContact CE1-CE2 4.15Å; Y283-F287 HydrophobicContact CE1-CZ 4.24Å; Y283-F287 HydrophobicContact CG-CD2 4.49Å; Y283-F287 AromaticContact CG-CE2 3.92Å; Y283-F287 HydrophobicContact CG-CE2 3.92Å; Y283-F287 WeakPolarHBondContact O-CB 3.47Å; Y283-F287 VanDerWaalsContact O-CD2 3.29Å; Y283-F287 WeakPolarHBondContact O-CD2 3.47Å; Y283-F287 PolarHBondContact O-N 2.91Å; F287-I289 HydrophobicContact CB-CB 4.46Å; F287-I289 WeakPolarHBondContact O-CG1 3.24Å; F287-I289 PolarHBondContact O-N 3.09Å; F287-I289 VanDerWaalsContact O-N 3.17Å; F287-W349 HydrophobicContact CD2-CB 4.19Å; F287-W349 AromaticContact CD2-CD1 3.79Å; F287-W349 AromaticContact CD2-CD2 3.63Å; F287-W349 HydrophobicContact CD2-CD2 3.63Å; F287-W349 AromaticContact CD2-CE2 3.87Å; F287-W349 HydrophobicContact CD2-CE3 4.16Å; F287-W349 AromaticContact CD2-CG 3.62Å; F287-W349 HydrophobicContact CD2-CG 3.62Å; F287-W349 AromaticContact CD2-NE1 3.92Å; F287-W349 HydrophobicContact CE2-CB 4.19Å; F287-W349 HydrophobicContact CE2-CD2 4.02Å; F287-W349 HydrophobicContact CE2-CE3 4.17Å; F287-W349 HydrophobicContact CE2-CG 4.03Å; F287-W349 HydrophobicContact CG-CG 4.4Å; F287-F350 AromaticContact CE1-CE2 3.72Å; F287-F350 HydrophobicContact CE1-CE2 3.72Å; F287-F350 HydrophobicContact CE1-CZ 4.25Å; F287-F350 HydrophobicContact CE2-CE2 4.34Å; F287-F350 HydrophobicContact CZ-CD2 4.23Å; F287-F350 AromaticContact CZ-CE2 3.52Å; F287-F350 HydrophobicContact CZ-CE2 3.52Å; F287-F350 HydrophobicContact CZ-CZ 4.46Å; F287-M372 HydrophobicContact CE1-CE 4.06Å; F287-M372 HydrophobicContact CE1-SD 4.27Å; F287-M372 HydrophobicContact CZ-CE 3.72Å; F287-M372 HydrophobicContact CZ-CG 4.21Å; F287-M372 HydrophobicContact CZ-SD 4.12Å; F287-I451 HydrophobicContact CD1-CG2 4.36Å; F287-I451 HydrophobicContact CE1-CG2 4.24Å; F287-I452 WeakPolarHBondContact O-CG2 3.39Å; F287-L455 HydrophobicContact CB-CD1 4.2Å; F287-L455 HydrophobicContact CD1-CD1 3.73Å; F287-L455 HydrophobicContact CD2-CD1 4.43Å; F287-L455 HydrophobicContact CE1-CD1 4.2Å; F287-L455 HydrophobicContact CG-CD1 3.87Å
288	D	93.4	Very high	97.6	Very high	57 Å²	57	28.5 Å²	28.5	31%	0.305	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	36.3	-174	-170.2	52.3	0	0	0	111.9	D284 K456	D284-D288 PolarHBondContact O-N 2.94Å; D288-K456 WeakPolarHBondContact O-CE 3.4Å; D288-K456 IonicContact OD2-NZ 2.77Å; D288-K456 PolarHBondContact OD2-NZ 3.5Å
289	I	94.8	Very high	97.6	Very high	19 Å²	19	24 Å²	24	10%	0.097	14%	0.135	C	C	.	.			trans	-140.6	109.8	179.3	-63.3	164.9	0	0	0	106.5	F287 W349 L353 L455 K456	F287-I289 HydrophobicContact CB-CB 4.46Å; F287-I289 WeakPolarHBondContact O-CG1 3.24Å; F287-I289 PolarHBondContact O-N 3.09Å; F287-I289 VanDerWaalsContact O-N 3.17Å; I289-W349 VanDerWaalsContact O-CZ2 3.31Å; I289-W349 WeakPolarHBondContact O-CZ2 3.35Å; I289-W349 PolarHBondContact O-NE1 3.23Å; I289-L353 HydrophobicContact CG2-CD2 3.89Å; I289-L455 HydrophobicContact CD1-CB 3.37Å; I289-L455 HydrophobicContact CD1-CD1 4.38Å; I289-K456 HydrophobicContact CD1-CG 3.74Å; I289-K456 HydrophobicContact CG1-CG 3.8Å
290	P	97.4	Very high	97.6	Very high	96 Å²	96	24 Å²	24	62%	0.623	14%	0.135	S	C	*	.			trans	-63.3	143.7	179	-20.7	31.9	0	0	0	112.4
291	Y	98.7	Very high	97.6	Very high	11 Å²	11	24 Å²	24	4%	0.043	14%	0.135	C	C	.	.			trans	-57.6	122.7	166.9	179.6	-101.5	0	0	0	109.9	V255 L280 D284 L293 K295 Q296 W312 G313 Q348 W349	V255-Y291 HydrophobicContact CB-CD1 4.49Å; V255-Y291 HydrophobicContact CG1-CD1 3.79Å; V255-Y291 HydrophobicContact CG1-CE1 3.9Å; V255-Y291 HydrophobicContact CG2-CD1 3.87Å; L280-Y291 HydrophobicContact CD1-CD2 4.02Å; L280-Y291 HydrophobicContact CD1-CG 4.14Å; L280-Y291 HydrophobicContact CD2-CD1 4.23Å; L280-Y291 HydrophobicContact CD2-CG 4.19Å; D284-Y291 WeakPolarHBondContact OD1-CB 3.06Å; D284-Y291 PolarHBondContact OD1-N 2.98Å; Y291-L293 HydrophobicContact CD1-CB 4.32Å; Y291-L293 WeakPolarHBondContact CD1-O 3.37Å; Y291-L293 HydrophobicContact CE1-CB 3.49Å; Y291-L293 VanDerWaalsContact CE1-CB 3.49Å; Y291-L293 HydrophobicContact CE1-CG 4.15Å; Y291-L293 WeakPolarHBondContact CE1-O 3.43Å; Y291-L293 PolarHBondContact O-N 2.84Å; Y291-K295 PolarHBondContact OH-O 2.96Å; Y291-Q296 HydrophobicContact CE1-CB 4.21Å; Y291-Q296 PolarHBondContact OH-OE1 3.1Å; Y291-W312 AromaticContact CE2-CD1 3.94Å; Y291-W312 AromaticContact CE2-NE1 3.67Å; Y291-G313 VanDerWaalsContact OH-CA 3.24Å; Y291-G313 WeakPolarHBondContact OH-CA 3.36Å; Y291-G313 PolarHBondContact OH-N 2.96Å; Y291-Q348 HydrophobicContact CD2-CB 3.99Å; Y291-Q348 HydrophobicContact CD2-CG 4.33Å; Y291-Q348 HydrophobicContact CE2-CB 3.88Å; Y291-Q348 HydrophobicContact CE2-CG 3.88Å; Y291-W349 HydrophobicContact CD2-CH2 4.4Å
292	P	98.4	Very high	97.5	Very high	45 Å²	45	23 Å²	23	29%	0.292	13%	0.13	S	C	.	.			trans	-84.3	-11	-164.2	30.7	-35.5	0	0	0	114.5	W312 Y460	P292-W312 HydrophobicContact CG-CH2 4.41Å; P292-W312 HydrophobicContact CG-CZ2 3.5Å; P292-W312 VanDerWaalsContact CG-CZ2 3.5Å; P292-Y460 VanDerWaalsContact CB-OH 3.27Å; P292-Y460 WeakPolarHBondContact CB-OH 3.31Å
293	L	98.8	Very high	97.4	Very high	6 Å²	6	23 Å²	23	3%	0.031	13%	0.131	C	C	.	.	S	Bend	trans	-97.4	147	-176.6	-45	-172.5	0	0	0	110.9	M209 V230 Y291 K295 W312	M209-L293 HydrophobicContact CE-CD2 4.33Å; M209-L293 HydrophobicContact SD-CD1 4.02Å; M209-L293 HydrophobicContact SD-CD2 3.84Å; M209-L293 HydrophobicContact SD-CG 4.39Å; V230-L293 HydrophobicContact CG1-CD2 3.91Å; V230-L293 HydrophobicContact CG2-CD2 4.02Å; Y291-L293 HydrophobicContact CD1-CB 4.32Å; Y291-L293 WeakPolarHBondContact CD1-O 3.37Å; Y291-L293 HydrophobicContact CE1-CB 3.49Å; Y291-L293 VanDerWaalsContact CE1-CB 3.49Å; Y291-L293 HydrophobicContact CE1-CG 4.15Å; Y291-L293 WeakPolarHBondContact CE1-O 3.43Å; Y291-L293 PolarHBondContact O-N 2.84Å; L293-K295 PolarHBondContact O-N 3.39Å; L293-W312 HydrophobicContact CD1-CB 4.41Å; L293-W312 HydrophobicContact CD1-CD2 4.43Å; L293-W312 HydrophobicContact CD1-CG 3.81Å
294	P	98.6	Very high	97.3	Very high	69 Å²	69	23 Å²	23	45%	0.448	13%	0.131	S	C	.	.	S	Bend	trans	-69.1	-13	-179.4	27.9	-37.8	0	0	0	114.1	P210 K256	P210-P294 HydrophobicContact CG-CB 4.26Å; P210-P294 HydrophobicContact CG-CG 3.32Å; K256-P294 PolarHBondContact N-O 3.06Å
295	K	98.9	Very high	97.3	Very high	14 Å²	14	23.9 Å²	23.9	6%	0.061	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	156.6	179.8	69	90	179.7	-179.4	0	111.8	S207 N208 P210 K256 Y291 L293 D297 G313	S207-K295 PolarHBondContact O-NZ 3.15Å; N208-K295 WeakPolarHBondContact O-CE 3.36Å; N208-K295 PolarHBondContact O-NZ 3.15Å; N208-K295 VanDerWaalsContact O-NZ 3.15Å; P210-K295 HydrophobicContact CG-CG 3.86Å; K256-K295 HydrophobicContact CB-CB 4.25Å; K256-K295 CarbonylContact O-C 3.58Å; K256-K295 WeakPolarHBondContact O-CA 3.38Å; K256-K295 VanDerWaalsContact O-CB 3.3Å; K256-K295 WeakPolarHBondContact O-CB 3.44Å; Y291-K295 PolarHBondContact OH-O 2.96Å; L293-K295 PolarHBondContact O-N 3.39Å; K295-D297 WeakPolarHBondContact CD-OD2 3.24Å; K295-D297 WeakPolarHBondContact CE-OD2 3.22Å; K295-D297 IonicContact NZ-OD2 3.51Å; K295-D297 PolarHBondContact NZ-OD2 2.94Å; K295-G313 PolarHBondContact NZ-O 2.98Å
296	Q	98.9	Very high	97.1	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	120.6	167.8	173.5	64.2	61.6	0	0	109.1	K256 I257 S258 Y291 L298 T315 L345	K256-Q296 PolarHBondContact O-N 2.89Å; I257-Q296 VanDerWaalsContact CA-O 3.26Å; I257-Q296 WeakPolarHBondContact CA-O 3.28Å; I257-Q296 HydrophobicContact CD1-CB 3.68Å; I257-Q296 HydrophobicContact CD1-CG 4.35Å; S258-Q296 PolarHBondContact N-O 2.81Å; Y291-Q296 HydrophobicContact CE1-CB 4.21Å; Y291-Q296 PolarHBondContact OH-OE1 3.1Å; Q296-L298 HydrophobicContact CG-CD1 4.31Å; Q296-T315 PolarHBondContact NE2-OG1 2.66Å; Q296-L345 HydrophobicContact CG-CD2 4.01Å
297	D	98.9	Very high	96.9	Very high	9 Å²	9	22.6 Å²	22.6	5%	0.048	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	142.3	177.7	-63.4	-29.5	0	0	0	110.5	S258 Y260 K295 G313 L314 T315	S258-D297 VanDerWaalsContact CB-OD1 3.32Å; S258-D297 WeakPolarHBondContact CB-OD1 3.04Å; S258-D297 CarbonylContact O-C 3.55Å; S258-D297 VanDerWaalsContact O-CA 3.31Å; S258-D297 WeakPolarHBondContact O-CA 3.49Å; S258-D297 PolarHBondContact OG-OD1 2.83Å; Y260-D297 HydrophobicContact CD2-CB 4.1Å; Y260-D297 HydrophobicContact CE2-CB 3.94Å; K295-D297 WeakPolarHBondContact CD-OD2 3.24Å; K295-D297 WeakPolarHBondContact CE-OD2 3.22Å; K295-D297 IonicContact NZ-OD2 3.51Å; K295-D297 PolarHBondContact NZ-OD2 2.94Å; D297-G313 PolarHBondContact N-O 2.86Å; D297-L314 HydrophobicContact CB-CD1 3.65Å; D297-L314 CarbonylContact O-C 3.54Å; D297-L314 WeakPolarHBondContact O-CA 3.44Å; D297-T315 PolarHBondContact O-N 2.76Å; D297-T315 PolarHBondContact O-OG1 3.22Å
298	L	98.9	Very high	97	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	113.3	173.5	-64.4	81.8	0	0	0	108	I257 S258 V259 Y260 A276 Q296 T315 Y317 L322 I341	I257-L298 HydrophobicContact CG2-CD1 3.69Å; S258-L298 PolarHBondContact O-N 2.76Å; V259-L298 CarbonylContact C-O 3.54Å; V259-L298 WeakPolarHBondContact CA-O 3.42Å; V259-L298 HydrophobicContact CG2-CB 4.35Å; Y260-L298 PolarHBondContact N-O 3.38Å; A276-L298 HydrophobicContact CB-CD1 3.84Å; A276-L298 HydrophobicContact CB-CD2 3.78Å; Q296-L298 HydrophobicContact CG-CD1 4.31Å; L298-T315 CarbonylContact C-O 3.52Å; L298-T315 WeakPolarHBondContact CA-O 3.42Å; L298-Y317 HydrophobicContact CB-CD2 4.27Å; L298-Y317 HydrophobicContact CB-CE2 3.63Å; L298-Y317 HydrophobicContact CD2-CE2 3.96Å; L298-Y317 WeakPolarHBondContact CD2-OH 3.28Å; L298-Y317 HydrophobicContact CG-CE2 3.84Å; L298-L322 HydrophobicContact CB-CD1 4.08Å; L298-L322 HydrophobicContact CB-CD2 4.03Å; L298-L322 HydrophobicContact CD2-CD1 3.74Å; L298-I341 HydrophobicContact CD2-CG1 4.25Å; L298-I341 HydrophobicContact CD2-CG2 4.18Å
299	A	98.9	Very high	97.3	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	118.9	-175.3	0	0	0	0	0	112.1	I240 I301 L314 T315 T316 Y317	I240-A299 HydrophobicContact CD1-CB 3.9Å; A299-I301 HydrophobicContact CB-CD1 3.85Å; A299-I301 PolarHBondContact O-N 3.22Å; A299-L314 HydrophobicContact CB-CD1 4.27Å; A299-T315 PolarHBondContact N-O 3.04Å; A299-T316 HydrophobicContact CB-CG2 4.38Å; A299-T316 WeakPolarHBondContact O-CA 3.32Å; A299-Y317 PolarHBondContact O-N 2.66Å
300	A	98.7	Very high	97.5	Very high	0 Å²	0	20 Å²	20	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	105.9	171.3	0	0	0	0	0	110.2	Y260 A261 E319 L322 L323	Y260-A300 PolarHBondContact O-N 2.87Å; A261-A300 HydrophobicContact CB-CB 4.42Å; A300-E319 HydrophobicContact CB-CG 4.29Å; A300-L322 HydrophobicContact CB-CB 4.45Å; A300-L322 HydrophobicContact CB-CD2 3.91Å; A300-L323 HydrophobicContact CB-CD1 4.21Å; A300-L323 HydrophobicContact CB-CD2 3.9Å; A300-L323 HydrophobicContact CB-CG 4.01Å
301	I	98.5	Very high	97.5	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	124	-177.4	-47.3	-55.9	0	0	0	109.9	Y153 I167 I240 F244 A299 D303 F304 T316 Y317	Y153-I301 WeakPolarHBondContact OH-CG2 3.26Å; I167-I301 HydrophobicContact CD1-CG2 4.18Å; I240-I301 HydrophobicContact CD1-CD1 3.77Å; F244-I301 HydrophobicContact CE2-CD1 4.13Å; A299-I301 HydrophobicContact CB-CD1 3.85Å; A299-I301 PolarHBondContact O-N 3.22Å; I301-D303 VanDerWaalsContact C-N 3.28Å; I301-D303 WeakPolarHBondContact CG2-O 3.39Å; I301-D303 PolarHBondContact O-N 3.28Å; I301-F304 HydrophobicContact CB-CB 4.23Å; I301-F304 HydrophobicContact CB-CD2 4.08Å; I301-F304 HydrophobicContact CB-CG 4.46Å; I301-F304 HydrophobicContact CG1-CD2 4.17Å; I301-F304 HydrophobicContact CG2-CD2 4.38Å; I301-T316 HydrophobicContact CD1-CG2 4.07Å; I301-T316 HydrophobicContact CG1-CG2 4Å; I301-Y317 PolarHBondContact N-O 2.95Å
302	P	96.8	Very high	97.5	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.006	10%	0.101	C	C	.	.	S	Bend	trans	-60.6	-30.5	179.9	-28.3	34.8	0	0	0	115.2	Y157 I167 F244 V262 K823 Q825	Y157-P302 HydrophobicContact CD1-CG 4.34Å; Y157-P302 HydrophobicContact CG-CG 4.45Å; I167-P302 HydrophobicContact CD1-CG 4.2Å; F244-P302 HydrophobicContact CZ-CG 4.46Å; V262-P302 HydrophobicContact CG1-CG 3.87Å; P302-K823 VanDerWaalsContact C-NZ 3.28Å; P302-K823 WeakPolarHBondContact O-CD 3.48Å; P302-K823 WeakPolarHBondContact O-CE 3.41Å; P302-K823 PolarHBondContact O-NZ 3.02Å; P302-Q825 PolarHBondContact O-OE1 2.83Å
303	D	97.1	Very high	97.6	Very high	20 Å²	20	12.8 Å²	12.8	11%	0.107	9%	0.087	C	C	.	.	S	Bend	trans	-126.2	105.7	178.7	-64.3	-61.7	0	0	0	109.3	F149 Y153 G155 S156 I301 K823 Q825	F149-D303 HydrophobicContact CE1-CB 4.28Å; Y153-D303 VanDerWaalsContact CE2-O 3.32Å; Y153-D303 WeakPolarHBondContact CE2-O 3.32Å; Y153-D303 PolarHBondContact OH-O 3.35Å; G155-D303 WeakPolarHBondContact CA-OD2 3.42Å; S156-D303 PolarHBondContact N-OD2 3.23Å; S156-D303 VanDerWaalsContact O-OD2 3.06Å; I301-D303 VanDerWaalsContact C-N 3.28Å; I301-D303 WeakPolarHBondContact CG2-O 3.39Å; I301-D303 PolarHBondContact O-N 3.28Å; D303-K823 WeakPolarHBondContact OD1-CD 3.24Å; D303-K823 IonicContact OD1-NZ 3.69Å; D303-K823 PolarHBondContact OD1-NZ 3.05Å; D303-K823 IonicContact OD2-NZ 3.49Å; D303-K823 PolarHBondContact OD2-NZ 2.86Å; D303-Q825 VanDerWaalsContact CA-OE1 3.25Å
304	F	97.1	Very high	97.6	Very high	1 Å²	1	12.5 Å²	12.5	0%	0.004	9%	0.085	C	C	.	.			trans	-148.7	129.8	-173.7	-159.1	-101	0	0	0	110.6	Y153 I301 S306 M309 T316 R318 Q825	Y153-F304 WeakPolarHBondContact OH-CD2 3.45Å; I301-F304 HydrophobicContact CB-CB 4.23Å; I301-F304 HydrophobicContact CB-CD2 4.08Å; I301-F304 HydrophobicContact CB-CG 4.46Å; I301-F304 HydrophobicContact CG1-CD2 4.17Å; I301-F304 HydrophobicContact CG2-CD2 4.38Å; F304-S306 WeakPolarHBondContact CD1-O 3.3Å; F304-M309 HydrophobicContact CZ-CB 3.77Å; F304-T316 WeakPolarHBondContact CE2-OG1 3.23Å; F304-R318 HydrophobicContact CB-CG 3.86Å; F304-R318 HydrophobicContact CD1-CG 4.14Å; F304-R318 HydrophobicContact CG-CG 4.49Å; F304-R318 VanDerWaalsContact O-CZ 3.29Å; F304-R318 PolarHBondContact O-NE 3.42Å; F304-R318 PolarHBondContact O-NH2 3.24Å; F304-Q825 PolarHBondContact O-OE1 3.37Å
305	Q	93.2	Very high	97.6	Very high	26 Å²	26	9.2 Å²	9.2	12%	0.121	6%	0.064	C	C	.	.	S	Bend	trans	-75.8	-53.1	-174.2	176.8	170.6	-7.3	0	0	112.4	F149 R318 F859 S865	F149-Q305 HydrophobicContact CB-CB 3.5Å; F149-Q305 HydrophobicContact CD2-CB 3.85Å; F149-Q305 HydrophobicContact CD2-CG 4.35Å; F149-Q305 HydrophobicContact CG-CB 3.78Å; Q305-R318 PolarHBondContact O-NE 3.05Å; Q305-R318 PolarHBondContact O-NH2 3.26Å; Q305-F859 HydrophobicContact CG-CD1 4.2Å; Q305-F859 PolarHBondContact NE2-O 3.31Å; Q305-F859 VanDerWaalsContact NE2-O 3.13Å; Q305-S865 PolarHBondContact NE2-OG 2.97Å
306	S	90.8	Very high	97.6	Very high	59 Å²	59	8.5 Å²	8.5	41%	0.413	6%	0.061	S	C	.	.	S	Bend	trans	-78.4	-172.1	-177.7	-55.9	0	0	0	0	111.9	F304 R318	F304-S306 WeakPolarHBondContact CD1-O 3.3Å; S306-R318 WeakPolarHBondContact O-CD 3.41Å; S306-R318 VanDerWaalsContact O-CG 3.25Å; S306-R318 WeakPolarHBondContact O-CG 3.48Å; S306-R318 PolarHBondContact O-NE 3.33Å
307	G	92.3	Very high	97.6	Very high	42 Å²	42	8.5 Å²	8.5	43%	0.433	6%	0.061	S	C	.	.	S	Bend	trans	-73	-51.8	170.5	0	0	0	0	0	111.7	R318	G307-R318 PolarHBondContact O-N 3.16Å
308	A	98.3	Very high	97.5	Very high	14 Å²	14	9.5 Å²	9.5	12%	0.116	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	-173.9	175.9	0	0	0	0	0	110.3	T316 Y317 V340 E344	A308-T316 CarbonylContact C-O 3.57Å; A308-T316 WeakPolarHBondContact CA-O 3.39Å; A308-T316 VanDerWaalsContact CB-O 3.23Å; A308-T316 WeakPolarHBondContact CB-O 3.5Å; A308-Y317 HydrophobicContact CB-CD1 3.49Å; A308-Y317 VanDerWaalsContact CB-CD1 3.49Å; A308-Y317 HydrophobicContact CB-CE1 3.89Å; A308-Y317 HydrophobicContact CB-CG 3.98Å; A308-V340 HydrophobicContact CB-CG1 3.58Å; A308-E344 VanDerWaalsContact CB-CD 3.4Å; A308-E344 HydrophobicContact CB-CG 3.63Å; A308-E344 VanDerWaalsContact CB-OE1 3.25Å; A308-E344 WeakPolarHBondContact CB-OE1 3.23Å
309	M	98.7	Very high	97.5	Very high	3 Å²	3	9.7 Å²	9.7	2%	0.015	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	139.3	177.6	170.5	73.9	-143.6	0	0	109.8	Q171 E173 Y235 L236 F304 N311 T315 T316 E344	Q171-M309 PolarHBondContact NE2-SD 3.38Å; Q171-M309 VanDerWaalsContact NE2-SD 3.38Å; E173-M309 HydrophobicContact CB-CE 3.81Å; E173-M309 HydrophobicContact CB-SD 3.57Å; E173-M309 VanDerWaalsContact CB-SD 3.57Å; Y235-M309 HydrophobicContact CD2-CE 3.66Å; Y235-M309 HydrophobicContact CE2-CE 3.77Å; L236-M309 HydrophobicContact CD2-CE 3.96Å; F304-M309 HydrophobicContact CZ-CB 3.77Å; M309-N311 VanDerWaalsContact C-N 3.32Å; M309-N311 WeakPolarHBondContact CE-OD1 3.46Å; M309-N311 WeakPolarHBondContact CG-OD1 3.49Å; M309-N311 PolarHBondContact O-N 3.13Å; M309-T315 VanDerWaalsContact O-CA 3.29Å; M309-T315 WeakPolarHBondContact O-CA 3.43Å; M309-T316 PolarHBondContact N-O 2.93Å; M309-T316 PolarHBondContact O-N 3.42Å; M309-E344 WeakPolarHBondContact CA-OE2 3.03Å; M309-E344 PolarHBondContact N-OE2 2.99Å
310	E	98.7	Very high	97.3	Very high	4 Å²	4	12.5 Å²	12.5	2%	0.019	8%	0.082	C	C	.	.			trans	-87.8	14.3	-161.6	73.3	-95.7	-149.6	0	0	115.7	L236 W312 E344 H347 Q348 N352	L236-E310 HydrophobicContact CD2-CG 3.76Å; E310-W312 PolarHBondContact O-N 3.06Å; E310-E344 VanDerWaalsContact CA-OE2 3.28Å; E310-E344 WeakPolarHBondContact CA-OE2 3.48Å; E310-E344 PolarHBondContact N-OE2 3.38Å; E310-H347 HydrophobicContact CB-CB 3.31Å; E310-H347 HydrophobicContact CG-CB 3.58Å; E310-H347 IonicContact OE1-ND1 2.72Å; E310-Q348 PolarHBondContact O-NE2 3.3Å; E310-N352 WeakPolarHBondContact CG-OD1 3.45Å; E310-N352 PolarHBondContact O-ND2 2.97Å
311	N	98.9	Very high	97.2	Very high	0 Å²	0	13 Å²	13	0%	0	9%	0.087	C	C	.	.			trans	-43.8	126.1	-166.7	-44.7	-61.8	0	0	0	111.7	A238 M309 G313 L314 T315 T316	A238-N311 HydrophobicContact CB-CB 3.53Å; M309-N311 VanDerWaalsContact C-N 3.32Å; M309-N311 WeakPolarHBondContact CE-OD1 3.46Å; M309-N311 WeakPolarHBondContact CG-OD1 3.49Å; M309-N311 PolarHBondContact O-N 3.13Å; N311-G313 PolarHBondContact O-N 2.91Å; N311-L314 WeakPolarHBondContact CB-O 3.42Å; N311-L314 PolarHBondContact ND2-O 3.45Å; N311-L314 CarbonylContact O-C 3.59Å; N311-L314 PolarHBondContact O-N 3.07Å; N311-T315 PolarHBondContact O-N 2.67Å; N311-T316 PolarHBondContact ND2-OG1 3.12Å
312	W	98.9	Very high	97.2	Very high	0 Å²	0	13 Å²	13	0%	0	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	114.6	-163.2	-155.7	-9.2	0	0	0	111.8	N208 V230 M232 Y291 P292 L293 E310 L314 N352 L353 Y460	N208-W312 WeakPolarHBondContact CA-O 3.45Å; N208-W312 VanDerWaalsContact CB-O 3.23Å; N208-W312 WeakPolarHBondContact CB-O 3.42Å; N208-W312 PolarHBondContact ND2-O 2.81Å; V230-W312 HydrophobicContact CG2-CD2 4.14Å; V230-W312 HydrophobicContact CG2-CE3 3.71Å; V230-W312 HydrophobicContact CG2-CH2 3.63Å; V230-W312 HydrophobicContact CG2-CZ2 4.07Å; V230-W312 HydrophobicContact CG2-CZ3 3.43Å; V230-W312 VanDerWaalsContact CG2-CZ3 3.43Å; M232-W312 HydrophobicContact CB-CE3 3.68Å; M232-W312 HydrophobicContact CB-CZ3 3.95Å; M232-W312 HydrophobicContact SD-CB 4.24Å; M232-W312 HydrophobicContact SD-CE3 4.31Å; Y291-W312 AromaticContact CE2-CD1 3.94Å; Y291-W312 AromaticContact CE2-NE1 3.67Å; P292-W312 HydrophobicContact CG-CH2 4.41Å; P292-W312 HydrophobicContact CG-CZ2 3.5Å; P292-W312 VanDerWaalsContact CG-CZ2 3.5Å; L293-W312 HydrophobicContact CD1-CB 4.41Å; L293-W312 HydrophobicContact CD1-CD2 4.43Å; L293-W312 HydrophobicContact CD1-CG 3.81Å; E310-W312 PolarHBondContact O-N 3.06Å; W312-L314 VanDerWaalsContact C-N 3.3Å; W312-L314 PolarHBondContact O-N 3.34Å; W312-N352 WeakPolarHBondContact CA-ND2 3.25Å; W312-N352 HydrophobicContact CB-CB 4.41Å; W312-N352 WeakPolarHBondContact CB-ND2 3.31Å; W312-N352 HydrophobicContact CD2-CB 3.63Å; W312-N352 HydrophobicContact CE3-CB 3.74Å; W312-N352 HydrophobicContact CG-CB 3.96Å; W312-N352 HydrophobicContact CH2-CB 4.39Å; W312-N352 HydrophobicContact CZ2-CB 4.28Å; W312-N352 HydrophobicContact CZ3-CB 4.13Å; W312-N352 WeakPolarHBondContact CZ3-O 3.01Å; W312-L353 HydrophobicContact CH2-CB 4.17Å; W312-L353 HydrophobicContact CH2-CD1 4.13Å; W312-L353 HydrophobicContact CZ2-CB 4.3Å; W312-L353 HydrophobicContact CZ2-CD1 4.46Å; W312-Y460 AromaticContact CH2-CD1 3.9Å; W312-Y460 HydrophobicContact CH2-CD1 3.9Å; W312-Y460 AromaticContact CH2-CE1 3.64Å; W312-Y460 HydrophobicContact CH2-CE1 3.64Å; W312-Y460 HydrophobicContact CZ2-CE1 4.34Å; W312-Y460 HydrophobicContact CZ3-CD1 4.39Å; W312-Y460 HydrophobicContact CZ3-CE1 4.43Å
313	G	98.9	Very high	97.3	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.8	-8.3	-176	0	0	0	0	0	115.4	Y291 K295 D297 N311	Y291-G313 VanDerWaalsContact OH-CA 3.24Å; Y291-G313 WeakPolarHBondContact OH-CA 3.36Å; Y291-G313 PolarHBondContact OH-N 2.96Å; K295-G313 PolarHBondContact NZ-O 2.98Å; D297-G313 PolarHBondContact N-O 2.86Å; N311-G313 PolarHBondContact O-N 2.91Å
314	L	98.9	Very high	97.2	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	65.3	177.5	-177.7	55.8	0	0	0	111.4	I206 A238 I240 D297 A299 N311 W312	I206-L314 HydrophobicContact CB-CD2 4.47Å; I206-L314 HydrophobicContact CD1-CD1 3.65Å; I206-L314 HydrophobicContact CD1-CD2 4.43Å; I206-L314 HydrophobicContact CG1-CD1 4.1Å; I206-L314 HydrophobicContact CG1-CD2 4Å; A238-L314 HydrophobicContact CB-CB 4.4Å; A238-L314 HydrophobicContact CB-CD2 4.11Å; A238-L314 HydrophobicContact CB-CG 4.42Å; I240-L314 HydrophobicContact CD1-CD1 4.22Å; I240-L314 HydrophobicContact CD1-CD2 4.07Å; I240-L314 HydrophobicContact CD1-CG 4.28Å; I240-L314 HydrophobicContact CG1-CD2 4.19Å; D297-L314 HydrophobicContact CB-CD1 3.65Å; D297-L314 CarbonylContact O-C 3.54Å; D297-L314 WeakPolarHBondContact O-CA 3.44Å; A299-L314 HydrophobicContact CB-CD1 4.27Å; N311-L314 WeakPolarHBondContact CB-O 3.42Å; N311-L314 PolarHBondContact ND2-O 3.45Å; N311-L314 CarbonylContact O-C 3.59Å; N311-L314 PolarHBondContact O-N 3.07Å; W312-L314 VanDerWaalsContact C-N 3.3Å; W312-L314 PolarHBondContact O-N 3.34Å
315	T	98.9	Very high	97.1	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	136.6	176.3	51.6	0	0	0	0	110.5	Q296 D297 L298 A299 M309 N311 Y317 E344	Q296-T315 PolarHBondContact NE2-OG1 2.66Å; D297-T315 PolarHBondContact O-N 2.76Å; D297-T315 PolarHBondContact O-OG1 3.22Å; L298-T315 CarbonylContact C-O 3.52Å; L298-T315 WeakPolarHBondContact CA-O 3.42Å; A299-T315 PolarHBondContact N-O 3.04Å; M309-T315 VanDerWaalsContact O-CA 3.29Å; M309-T315 WeakPolarHBondContact O-CA 3.43Å; N311-T315 PolarHBondContact O-N 2.67Å; T315-Y317 WeakPolarHBondContact CB-OH 3.44Å; T315-Y317 WeakPolarHBondContact O-CE2 3.38Å; T315-Y317 VanDerWaalsContact OG1-CE2 3.24Å; T315-Y317 WeakPolarHBondContact OG1-CE2 3.45Å; T315-Y317 PolarHBondContact OG1-OH 2.84Å; T315-Y317 VanDerWaalsContact OG1-OH 3.12Å; T315-E344 HydrophobicContact CG2-CB 3.99Å
316	T	98.9	Very high	96.9	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	142.2	-176.9	48.4	0	0	0	0	111.2	I240 A299 I301 F304 A308 M309 N311	I240-T316 HydrophobicContact CD1-CG2 3.91Å; A299-T316 HydrophobicContact CB-CG2 4.38Å; A299-T316 WeakPolarHBondContact O-CA 3.32Å; I301-T316 HydrophobicContact CD1-CG2 4.07Å; I301-T316 HydrophobicContact CG1-CG2 4Å; F304-T316 WeakPolarHBondContact CE2-OG1 3.23Å; A308-T316 CarbonylContact C-O 3.57Å; A308-T316 WeakPolarHBondContact CA-O 3.39Å; A308-T316 VanDerWaalsContact CB-O 3.23Å; A308-T316 WeakPolarHBondContact CB-O 3.5Å; M309-T316 PolarHBondContact N-O 2.93Å; M309-T316 PolarHBondContact O-N 3.42Å; N311-T316 PolarHBondContact ND2-OG1 3.12Å
317	Y	98.8	Very high	96.7	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	149.5	-171.2	-57.8	-104.4	0	0	0	110.6	L298 A299 I301 A308 T315 L322 V340 I341 E344	L298-Y317 HydrophobicContact CB-CD2 4.27Å; L298-Y317 HydrophobicContact CB-CE2 3.63Å; L298-Y317 HydrophobicContact CD2-CE2 3.96Å; L298-Y317 WeakPolarHBondContact CD2-OH 3.28Å; L298-Y317 HydrophobicContact CG-CE2 3.84Å; A299-Y317 PolarHBondContact O-N 2.66Å; I301-Y317 PolarHBondContact N-O 2.95Å; A308-Y317 HydrophobicContact CB-CD1 3.49Å; A308-Y317 VanDerWaalsContact CB-CD1 3.49Å; A308-Y317 HydrophobicContact CB-CE1 3.89Å; A308-Y317 HydrophobicContact CB-CG 3.98Å; T315-Y317 WeakPolarHBondContact CB-OH 3.44Å; T315-Y317 WeakPolarHBondContact O-CE2 3.38Å; T315-Y317 VanDerWaalsContact OG1-CE2 3.24Å; T315-Y317 WeakPolarHBondContact OG1-CE2 3.45Å; T315-Y317 PolarHBondContact OG1-OH 2.84Å; T315-Y317 VanDerWaalsContact OG1-OH 3.12Å; Y317-L322 HydrophobicContact CD1-CB 4.36Å; Y317-L322 HydrophobicContact CD1-CD1 4.09Å; Y317-L322 HydrophobicContact CD2-CD1 4.02Å; Y317-L322 HydrophobicContact CD2-CD2 3.79Å; Y317-L322 HydrophobicContact CD2-CG 4.35Å; Y317-L322 HydrophobicContact CE1-CD1 4.19Å; Y317-L322 HydrophobicContact CE2-CD1 4.14Å; Y317-L322 HydrophobicContact CE2-CD2 4.43Å; Y317-L322 HydrophobicContact CG-CB 4.01Å; Y317-L322 HydrophobicContact CG-CD1 4.04Å; Y317-L322 HydrophobicContact CG-CD2 4.11Å; Y317-L322 HydrophobicContact CG-CG 4.29Å; Y317-V340 HydrophobicContact CD1-CG1 3.73Å; Y317-V340 HydrophobicContact CE1-CG1 3.87Å; Y317-I341 HydrophobicContact CE1-CG1 4.25Å; Y317-E344 HydrophobicContact CD1-CG 4.37Å; Y317-E344 HydrophobicContact CE1-CB 4.23Å; Y317-E344 HydrophobicContact CE1-CG 3.46Å; Y317-E344 VanDerWaalsContact CE1-CG 3.46Å; Y317-E344 VanDerWaalsContact OH-CB 3.28Å; Y317-E344 WeakPolarHBondContact OH-CB 3.45Å; Y317-E344 WeakPolarHBondContact OH-CG 3.5Å
318	R	98.1	Very high	96.6	Very high	30 Å²	30	22.8 Å²	22.8	11%	0.113	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	146.2	152.4	-84	-179.8	-177.7	-128.5	0.8	108.9	F304 Q305 S306 G307 T320 G321 L322 Q825	F304-R318 HydrophobicContact CB-CG 3.86Å; F304-R318 HydrophobicContact CD1-CG 4.14Å; F304-R318 HydrophobicContact CG-CG 4.49Å; F304-R318 VanDerWaalsContact O-CZ 3.29Å; F304-R318 PolarHBondContact O-NE 3.42Å; F304-R318 PolarHBondContact O-NH2 3.24Å; Q305-R318 PolarHBondContact O-NE 3.05Å; Q305-R318 PolarHBondContact O-NH2 3.26Å; S306-R318 WeakPolarHBondContact O-CD 3.41Å; S306-R318 VanDerWaalsContact O-CG 3.25Å; S306-R318 WeakPolarHBondContact O-CG 3.48Å; S306-R318 PolarHBondContact O-NE 3.33Å; G307-R318 PolarHBondContact O-N 3.16Å; R318-T320 PolarHBondContact O-N 3.25Å; R318-T320 VanDerWaalsContact O-N 3.15Å; R318-G321 WeakPolarHBondContact O-CA 3.28Å; R318-G321 PolarHBondContact O-N 3.48Å; R318-L322 PolarHBondContact O-N 3.27Å; R318-Q825 PolarHBondContact NH1-O 3.39Å; R318-Q825 VanDerWaalsContact NH1-O 3.15Å; R318-Q825 PolarHBondContact NH2-O 3.18Å
319	E	97.6	Very high	96.4	Very high	3 Å²	3	22.4 Å²	22.4	1%	0.014	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-55.7	-35.5	175.6	-62.1	-177.2	129.5	0	0	112.6	K265 A300 G321 L322 L323 M790	K265-E319 WeakPolarHBondContact CD-OE1 3.5Å; K265-E319 IonicContact NZ-OE1 3.74Å; K265-E319 PolarHBondContact NZ-OE1 2.83Å; K265-E319 IonicContact NZ-OE2 2.62Å; K265-E319 PolarHBondContact NZ-OE2 3.31Å; A300-E319 HydrophobicContact CB-CG 4.29Å; E319-G321 PolarHBondContact O-N 2.89Å; E319-L322 PolarHBondContact O-N 3.23Å; E319-L323 HydrophobicContact CB-CD1 3.93Å; E319-L323 HydrophobicContact CB-CG 4.4Å; E319-L323 HydrophobicContact CG-CD1 4.23Å; E319-L323 WeakPolarHBondContact O-CB 3.45Å; E319-L323 WeakPolarHBondContact O-CG 3.37Å; E319-L323 PolarHBondContact O-N 3.27Å; E319-M790 HydrophobicContact CB-CB 4.41Å; E319-M790 HydrophobicContact CB-CG 3.78Å; E319-M790 WeakPolarHBondContact OE2-CE 3.27Å; E319-M790 WeakPolarHBondContact OE2-CG 3.31Å
320	T	95.6	Very high	96.1	Very high	60 Å²	60	23 Å²	23	37%	0.368	13%	0.125	S	C	.	.	G	3₁₀ helix	trans	-68.8	-18.8	175.4	50.8	0	0	0	0	114	R318 M790	R318-T320 PolarHBondContact O-N 3.25Å; R318-T320 VanDerWaalsContact O-N 3.15Å; T320-M790 HydrophobicContact CG2-CB 3.8Å
321	G	96.7	Very high	95.7	Very high	9 Å²	9	23.1 Å²	23.1	9%	0.093	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-91	-3.7	177.4	0	0	0	0	0	114	R318 E319	R318-G321 WeakPolarHBondContact O-CA 3.28Å; R318-G321 PolarHBondContact O-N 3.48Å; E319-G321 PolarHBondContact O-N 2.89Å
322	L	98.3	Very high	95.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.7	-38.2	-175.2	-164.9	66.1	0	0	0	114.1	V259 A272 L298 A300 Y317 R318 E319 I341	V259-L322 HydrophobicContact CG1-CD2 3.82Å; V259-L322 HydrophobicContact CG1-CG 4.25Å; A272-L322 HydrophobicContact CB-CD1 3.63Å; A272-L322 HydrophobicContact CB-CG 4.01Å; A272-L322 WeakPolarHBondContact CB-O 3.49Å; L298-L322 HydrophobicContact CB-CD1 4.08Å; L298-L322 HydrophobicContact CB-CD2 4.03Å; L298-L322 HydrophobicContact CD2-CD1 3.74Å; A300-L322 HydrophobicContact CB-CB 4.45Å; A300-L322 HydrophobicContact CB-CD2 3.91Å; Y317-L322 HydrophobicContact CD1-CB 4.36Å; Y317-L322 HydrophobicContact CD1-CD1 4.09Å; Y317-L322 HydrophobicContact CD2-CD1 4.02Å; Y317-L322 HydrophobicContact CD2-CD2 3.79Å; Y317-L322 HydrophobicContact CD2-CG 4.35Å; Y317-L322 HydrophobicContact CE1-CD1 4.19Å; Y317-L322 HydrophobicContact CE2-CD1 4.14Å; Y317-L322 HydrophobicContact CE2-CD2 4.43Å; Y317-L322 HydrophobicContact CG-CB 4.01Å; Y317-L322 HydrophobicContact CG-CD1 4.04Å; Y317-L322 HydrophobicContact CG-CD2 4.11Å; Y317-L322 HydrophobicContact CG-CG 4.29Å; R318-L322 PolarHBondContact O-N 3.27Å; E319-L322 PolarHBondContact O-N 3.23Å; L322-I341 HydrophobicContact CD1-CD1 4.03Å; L322-I341 HydrophobicContact CD1-CG1 3.99Å
323	L	97.9	Very high	95.2	Very high	6 Å²	6	28.3 Å²	28.3	3%	0.031	16%	0.159	C	C	.	.			trans	-88.2	128.1	-171.7	-55.2	-176.3	0	0	0	111.4	A261 K265 Q268 T269 A300 E319 I337	A261-L323 HydrophobicContact CB-CD2 4.13Å; K265-L323 HydrophobicContact CB-CD1 3.95Å; K265-L323 HydrophobicContact CD-CD1 3.78Å; K265-L323 HydrophobicContact CG-CD1 4.5Å; Q268-L323 HydrophobicContact CB-CB 3.93Å; Q268-L323 HydrophobicContact CB-CD2 4.45Å; T269-L323 HydrophobicContact CG2-CD2 3.82Å; A300-L323 HydrophobicContact CB-CD1 4.21Å; A300-L323 HydrophobicContact CB-CD2 3.9Å; A300-L323 HydrophobicContact CB-CG 4.01Å; E319-L323 HydrophobicContact CB-CD1 3.93Å; E319-L323 HydrophobicContact CB-CG 4.4Å; E319-L323 HydrophobicContact CG-CD1 4.23Å; E319-L323 WeakPolarHBondContact O-CB 3.45Å; E319-L323 WeakPolarHBondContact O-CG 3.37Å; E319-L323 PolarHBondContact O-N 3.27Å; L323-I337 VanDerWaalsContact O-CD1 3.26Å; L323-I337 WeakPolarHBondContact O-CD1 3.36Å
324	F	96.8	Very high	95	Very high	26 Å²	26	31.2 Å²	31.2	11%	0.114	17%	0.172	C	C	.	.			trans	-127.8	130.5	-176.9	-178.9	-98.3	0	0	0	111.3	Q268 F271 P326 S329 K334 I337	Q268-F324 WeakPolarHBondContact CA-O 3.44Å; Q268-F324 PolarHBondContact O-N 2.89Å; F271-F324 HydrophobicContact CB-CB 3.9Å; F271-F324 HydrophobicContact CB-CD1 3.7Å; F271-F324 HydrophobicContact CB-CG 4.09Å; F271-F324 HydrophobicContact CD1-CB 3.83Å; F271-F324 HydrophobicContact CD1-CD1 4.21Å; F271-F324 HydrophobicContact CD1-CD2 4.49Å; F271-F324 AromaticContact CD1-CG 3.92Å; F271-F324 HydrophobicContact CD1-CG 3.92Å; F271-F324 HydrophobicContact CG-CB 4.17Å; F271-F324 AromaticContact CG-CD1 3.89Å; F271-F324 HydrophobicContact CG-CD1 3.89Å; F271-F324 HydrophobicContact CG-CG 4.08Å; F324-P326 HydrophobicContact CE1-CB 4.07Å; F324-S329 VanDerWaalsContact CD2-CB 3.46Å; F324-K334 HydrophobicContact CD2-CB 4.28Å; F324-K334 HydrophobicContact CE2-CB 3.64Å; F324-K334 HydrophobicContact CE2-CG 4.03Å; F324-K334 HydrophobicContact CZ-CB 4.24Å; F324-K334 HydrophobicContact CZ-CD 4.32Å; F324-K334 HydrophobicContact CZ-CG 4.28Å; F324-I337 HydrophobicContact CB-CD1 3.89Å; F324-I337 HydrophobicContact CD2-CD1 4.1Å
325	D	93.1	Very high	94.8	Very high	22 Å²	22	31.9 Å²	31.9	12%	0.118	18%	0.175	C	C	.	.			trans	-113.4	117.6	173.5	-176.2	-45.7	0	0	0	108.7	D327 R328 S329 Q789	D325-D327 PolarHBondContact O-N 2.92Å; D325-D327 PolarHBondContact OD1-N 3.26Å; D325-R328 HydrophobicContact CB-CB 4.13Å; D325-R328 PolarHBondContact O-N 2.69Å; D325-R328 PolarHBondContact OD1-N 3.27Å; D325-S329 PolarHBondContact N-OG 2.88Å; D325-S329 WeakPolarHBondContact O-CB 3.3Å; D325-S329 PolarHBondContact O-N 2.98Å; D325-Q789 VanDerWaalsContact OD2-CD 3.27Å; D325-Q789 PolarHBondContact OD2-NE2 3.43Å
326	P	89.4	Confident	94.7	Very high	98 Å²	98	33.4 Å²	33.4	64%	0.636	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-25.3	-174	26.9	-35	0	0	0	114.2	F324	F324-P326 HydrophobicContact CE1-CB 4.07Å
327	D	87.9	Confident	94.6	Very high	125 Å²	125	33.5 Å²	33.5	67%	0.668	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-15.4	-177.8	-66.2	-34.8	0	0	0	112	D325	D325-D327 PolarHBondContact O-N 2.92Å; D325-D327 PolarHBondContact OD1-N 3.26Å
328	R	90	Very high	94.6	Very high	78 Å²	78	33.5 Å²	33.5	29%	0.294	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-133.3	-25.7	-163.6	-62	-83.7	-167.8	-177	4.3	113.9	D325 V760 V792 R795	D325-R328 HydrophobicContact CB-CB 4.13Å; D325-R328 PolarHBondContact O-N 2.69Å; D325-R328 PolarHBondContact OD1-N 3.27Å; R328-V760 VanDerWaalsContact O-CG1 3.29Å; R328-V760 WeakPolarHBondContact O-CG1 3.44Å; R328-V792 HydrophobicContact CB-CG2 4.08Å; R328-R795 PolarHBondContact O-NH2 3.43Å
329	S	92.9	Very high	94.6	Very high	6 Å²	6	33.6 Å²	33.6	4%	0.042	19%	0.193	C	C	.	.	S	Bend	trans	-83.6	139.7	174.7	-69.2	0	0	0	0	111.4	F324 D325 S791	F324-S329 VanDerWaalsContact CD2-CB 3.46Å; D325-S329 PolarHBondContact N-OG 2.88Å; D325-S329 WeakPolarHBondContact O-CB 3.3Å; D325-S329 PolarHBondContact O-N 2.98Å; S329-S791 WeakPolarHBondContact OG-CB 3.32Å; S329-S791 PolarHBondContact OG-OG 2.79Å
330	S	92.4	Very high	94.7	Very high	17 Å²	17	35.2 Å²	35.2	12%	0.119	20%	0.203	C	C	.	.			trans	-77.6	168.6	-176.1	67.3	0	0	0	0	112.6	S332 D333 K334 V760	S330-S332 PolarHBondContact O-N 2.79Å; S330-S332 PolarHBondContact OG-N 3.14Å; S330-D333 WeakPolarHBondContact CB-OD2 3.25Å; S330-D333 PolarHBondContact N-OD2 3.4Å; S330-D333 PolarHBondContact O-N 2.95Å; S330-D333 PolarHBondContact OG-N 3.48Å; S330-D333 PolarHBondContact OG-OD2 3.19Å; S330-K334 PolarHBondContact O-N 3.34Å; S330-V760 VanDerWaalsContact CA-CG1 3.43Å
331	A	91	Very high	94.8	Very high	6 Å²	6	32.3 Å²	32.3	5%	0.05	19%	0.185	C	C	.	.	H	α-helix	trans	-58.5	-36.6	169.8	0	0	0	0	0	112	K334 L335 V717 R720	A331-K334 PolarHBondContact O-N 3.11Å; A331-L335 WeakPolarHBondContact O-CB 3.36Å; A331-L335 PolarHBondContact O-N 3.27Å; A331-V717 HydrophobicContact CB-CG1 4.33Å; A331-V717 HydrophobicContact CB-CG2 4.47Å; A331-R720 HydrophobicContact CB-CB 4Å
332	S	91.4	Very high	94.9	Very high	65 Å²	65	31.9 Å²	31.9	46%	0.455	18%	0.181	S	C	.	.	H	α-helix	trans	-66.7	-40.1	175.2	-168.4	0	0	0	0	112.1	S330 K334 L335 G336	S330-S332 PolarHBondContact O-N 2.79Å; S330-S332 PolarHBondContact OG-N 3.14Å; S332-K334 PolarHBondContact O-N 3.47Å; S332-L335 PolarHBondContact O-N 3.44Å; S332-G336 PolarHBondContact O-N 3.26Å
333	D	94.8	Very high	94.9	Very high	43 Å²	43	32.6 Å²	32.6	23%	0.23	18%	0.184	C	C	.	.	H	α-helix	trans	-62.8	-43.8	174.9	-62.2	-50.1	0	0	0	110.7	S330 L335 G336 I337	S330-D333 WeakPolarHBondContact CB-OD2 3.25Å; S330-D333 PolarHBondContact N-OD2 3.4Å; S330-D333 PolarHBondContact O-N 2.95Å; S330-D333 PolarHBondContact OG-N 3.48Å; S330-D333 PolarHBondContact OG-OD2 3.19Å; D333-L335 PolarHBondContact O-N 3.49Å; D333-G336 PolarHBondContact O-N 3.27Å; D333-I337 WeakPolarHBondContact O-CB 3.3Å; D333-I337 WeakPolarHBondContact O-CD1 3.44Å; D333-I337 VanDerWaalsContact O-CG1 3.25Å; D333-I337 WeakPolarHBondContact O-CG1 3.4Å; D333-I337 PolarHBondContact O-N 3.43Å
334	K	95	Very high	95	Very high	61 Å²	61	32.7 Å²	32.7	27%	0.265	19%	0.185	S	C	.	.	H	α-helix	trans	-59.6	-47.4	175.9	-168	-178.5	177	-169.9	0	111.3	F271 F324 S330 A331 S332 T338	F271-K334 HydrophobicContact CE1-CG 3.97Å; F271-K334 HydrophobicContact CE2-CD 4.33Å; F271-K334 HydrophobicContact CE2-CG 4.12Å; F271-K334 HydrophobicContact CZ-CD 4.26Å; F271-K334 HydrophobicContact CZ-CG 3.58Å; F324-K334 HydrophobicContact CD2-CB 4.28Å; F324-K334 HydrophobicContact CE2-CB 3.64Å; F324-K334 HydrophobicContact CE2-CG 4.03Å; F324-K334 HydrophobicContact CZ-CB 4.24Å; F324-K334 HydrophobicContact CZ-CD 4.32Å; F324-K334 HydrophobicContact CZ-CG 4.28Å; S330-K334 PolarHBondContact O-N 3.34Å; A331-K334 PolarHBondContact O-N 3.11Å; S332-K334 PolarHBondContact O-N 3.47Å; K334-T338 WeakPolarHBondContact O-CB 3.28Å; K334-T338 PolarHBondContact O-N 3.31Å; K334-T338 PolarHBondContact O-OG1 3.14Å
335	L	95.4	Very high	95.1	Very high	14 Å²	14	31.5 Å²	31.5	7%	0.073	18%	0.179	C	C	.	.	H	α-helix	trans	-59.5	-50.1	176.6	173.4	59.7	0	0	0	110.9	A331 S332 D333 T338 K339 L377 L384 V386 F389 V717	A331-L335 WeakPolarHBondContact O-CB 3.36Å; A331-L335 PolarHBondContact O-N 3.27Å; S332-L335 PolarHBondContact O-N 3.44Å; D333-L335 PolarHBondContact O-N 3.49Å; L335-T338 PolarHBondContact O-N 3.38Å; L335-K339 HydrophobicContact CD1-CD 3.93Å; L335-K339 HydrophobicContact CD1-CG 4.04Å; L335-K339 HydrophobicContact CG-CD 4.16Å; L335-K339 WeakPolarHBondContact O-CB 3.46Å; L335-K339 WeakPolarHBondContact O-CG 3.47Å; L335-K339 PolarHBondContact O-N 3.1Å; L335-L377 HydrophobicContact CD1-CD2 4.47Å; L335-L384 HydrophobicContact CD1-CB 4.28Å; L335-L384 HydrophobicContact CD1-CD1 4.29Å; L335-V386 HydrophobicContact CD1-CG1 3.69Å; L335-F389 HydrophobicContact CD2-CD2 4.04Å; L335-F389 HydrophobicContact CD2-CE2 3.95Å; L335-F389 HydrophobicContact CD2-CG 4.44Å; L335-F389 HydrophobicContact CD2-CZ 4.27Å; L335-V717 HydrophobicContact CD2-CG1 4.5Å
336	G	96.1	Very high	95.4	Very high	32 Å²	32	30.4 Å²	30.4	33%	0.33	17%	0.173	S	C	.	.	H	α-helix	trans	-58.7	-48.9	179.6	0	0	0	0	0	112.9	S332 D333 T338 K339 V340	S332-G336 PolarHBondContact O-N 3.26Å; D333-G336 PolarHBondContact O-N 3.27Å; G336-T338 VanDerWaalsContact C-N 3.35Å; G336-T338 PolarHBondContact O-N 3.14Å; G336-K339 PolarHBondContact O-N 2.74Å; G336-V340 WeakPolarHBondContact O-CG2 3.28Å; G336-V340 PolarHBondContact O-N 3.36Å
337	I	98.1	Very high	95.8	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.01	14%	0.143	C	C	.	.	H	α-helix	trans	-60.4	-45.1	177.4	-68.8	165.6	0	0	0	110.8	F271 L323 F324 D333 K339 V340 I341	F271-I337 HydrophobicContact CD1-CG2 4.13Å; F271-I337 HydrophobicContact CE1-CB 4.47Å; F271-I337 HydrophobicContact CE1-CG2 4.02Å; L323-I337 VanDerWaalsContact O-CD1 3.26Å; L323-I337 WeakPolarHBondContact O-CD1 3.36Å; F324-I337 HydrophobicContact CB-CD1 3.89Å; F324-I337 HydrophobicContact CD2-CD1 4.1Å; D333-I337 WeakPolarHBondContact O-CB 3.3Å; D333-I337 WeakPolarHBondContact O-CD1 3.44Å; D333-I337 VanDerWaalsContact O-CG1 3.25Å; D333-I337 WeakPolarHBondContact O-CG1 3.4Å; D333-I337 PolarHBondContact O-N 3.43Å; I337-K339 VanDerWaalsContact C-N 3.34Å; I337-K339 PolarHBondContact O-N 3.38Å; I337-V340 PolarHBondContact O-N 3.49Å; I337-I341 HydrophobicContact CG2-CD1 3.75Å; I337-I341 HydrophobicContact CG2-CG1 4.46Å; I337-I341 VanDerWaalsContact O-CG1 3.29Å; I337-I341 WeakPolarHBondContact O-CG1 3.47Å; I337-I341 PolarHBondContact O-N 3.22Å
338	T	98.3	Very high	96.3	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-63.5	-41.6	179.9	-46.2	0	0	0	0	111.3	F271 K334 L335 G336 A342 L377 Y381 L384	F271-T338 VanDerWaalsContact CZ-OG1 3.26Å; F271-T338 WeakPolarHBondContact CZ-OG1 3.4Å; K334-T338 WeakPolarHBondContact O-CB 3.28Å; K334-T338 PolarHBondContact O-N 3.31Å; K334-T338 PolarHBondContact O-OG1 3.14Å; L335-T338 PolarHBondContact O-N 3.38Å; G336-T338 VanDerWaalsContact C-N 3.35Å; G336-T338 PolarHBondContact O-N 3.14Å; T338-A342 WeakPolarHBondContact O-CB 3.44Å; T338-A342 PolarHBondContact O-N 3.31Å; T338-L377 HydrophobicContact CG2-CD1 4.08Å; T338-L377 HydrophobicContact CG2-CD2 3.82Å; T338-L377 HydrophobicContact CG2-CG 3.85Å; T338-Y381 HydrophobicContact CG2-CD2 3.71Å; T338-Y381 HydrophobicContact CG2-CE2 3.85Å; T338-Y381 HydrophobicContact CG2-CG 4.21Å; T338-L384 HydrophobicContact CG2-CD1 4.07Å
339	K	98.3	Very high	96.8	Very high	32 Å²	32	16.3 Å²	16.3	14%	0.139	10%	0.098	C	C	.	.	H	α-helix	trans	-62.6	-47.9	176.4	-75.8	-177.5	63.9	166.9	0	112	L335 G336 I337 I341 A342 H343 E373 L377	L335-K339 HydrophobicContact CD1-CD 3.93Å; L335-K339 HydrophobicContact CD1-CG 4.04Å; L335-K339 HydrophobicContact CG-CD 4.16Å; L335-K339 WeakPolarHBondContact O-CB 3.46Å; L335-K339 WeakPolarHBondContact O-CG 3.47Å; L335-K339 PolarHBondContact O-N 3.1Å; G336-K339 PolarHBondContact O-N 2.74Å; I337-K339 VanDerWaalsContact C-N 3.34Å; I337-K339 PolarHBondContact O-N 3.38Å; K339-I341 PolarHBondContact O-N 2.97Å; K339-A342 PolarHBondContact O-N 2.86Å; K339-H343 WeakPolarHBondContact O-CB 3.29Å; K339-H343 PolarHBondContact O-N 3.48Å; K339-E373 WeakPolarHBondContact CE-OE2 3.17Å; K339-E373 IonicContact NZ-OE2 3.34Å; K339-L377 HydrophobicContact CB-CD2 4.41Å; K339-L377 HydrophobicContact CG-CD2 3.58Å
340	V	98.6	Very high	97	Very high	37 Å²	37	16.1 Å²	16.1	22%	0.224	10%	0.097	C	C	.	.	H	α-helix	trans	-62.1	-45.3	179.2	177.5	0	0	0	0	110.4	A308 Y317 G336 I337 A342 H343 E344	A308-V340 HydrophobicContact CB-CG1 3.58Å; Y317-V340 HydrophobicContact CD1-CG1 3.73Å; Y317-V340 HydrophobicContact CE1-CG1 3.87Å; G336-V340 WeakPolarHBondContact O-CG2 3.28Å; G336-V340 PolarHBondContact O-N 3.36Å; I337-V340 PolarHBondContact O-N 3.49Å; V340-A342 VanDerWaalsContact C-N 3.31Å; V340-A342 PolarHBondContact O-N 3.18Å; V340-H343 WeakPolarHBondContact O-CB 3.26Å; V340-H343 PolarHBondContact O-N 3.01Å; V340-E344 HydrophobicContact CG1-CG 4.42Å; V340-E344 WeakPolarHBondContact O-CG 3.33Å; V340-E344 PolarHBondContact O-N 3.04Å
341	I	98.9	Very high	97.3	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-59.3	-42.4	175.1	-65.4	167.6	0	0	0	111.2	A272 A275 A276 L279 L298 Y317 L322 I337 K339 H343 L345	A272-I341 HydrophobicContact CB-CD1 3.74Å; A275-I341 HydrophobicContact CB-CD1 4.14Å; A276-I341 HydrophobicContact CB-CG2 4.06Å; L279-I341 HydrophobicContact CD1-CB 4.32Å; L279-I341 HydrophobicContact CD1-CG2 3.81Å; L298-I341 HydrophobicContact CD2-CG1 4.25Å; L298-I341 HydrophobicContact CD2-CG2 4.18Å; Y317-I341 HydrophobicContact CE1-CG1 4.25Å; L322-I341 HydrophobicContact CD1-CD1 4.03Å; L322-I341 HydrophobicContact CD1-CG1 3.99Å; I337-I341 HydrophobicContact CG2-CD1 3.75Å; I337-I341 HydrophobicContact CG2-CG1 4.46Å; I337-I341 VanDerWaalsContact O-CG1 3.29Å; I337-I341 WeakPolarHBondContact O-CG1 3.47Å; I337-I341 PolarHBondContact O-N 3.22Å; K339-I341 PolarHBondContact O-N 2.97Å; I341-H343 VanDerWaalsContact C-N 3.34Å; I341-H343 PolarHBondContact O-N 3.28Å; I341-L345 HydrophobicContact CG2-CD1 3.91Å; I341-L345 HydrophobicContact CG2-CG 4.33Å; I341-L345 WeakPolarHBondContact O-CB 3.42Å; I341-L345 VanDerWaalsContact O-CG 3.25Å; I341-L345 WeakPolarHBondContact O-CG 3.17Å; I341-L345 PolarHBondContact O-N 3.06Å
342	A	98.9	Very high	97.7	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-65.8	-36.1	177.7	0	0	0	0	0	113.4	L279 Y283 T338 K339 V340 A346 L377	L279-A342 HydrophobicContact CD1-CB 3.89Å; L279-A342 HydrophobicContact CD2-CB 3.99Å; Y283-A342 PolarHBondContact OH-O 2.93Å; T338-A342 WeakPolarHBondContact O-CB 3.44Å; T338-A342 PolarHBondContact O-N 3.31Å; K339-A342 PolarHBondContact O-N 2.86Å; V340-A342 VanDerWaalsContact C-N 3.31Å; V340-A342 PolarHBondContact O-N 3.18Å; A342-A346 WeakPolarHBondContact O-CB 3.36Å; A342-A346 PolarHBondContact O-N 2.84Å; A342-L377 HydrophobicContact CB-CD1 3.27Å
343	H	98.8	Very high	98	Very high	14 Å²	14	12.1 Å²	12.1	7%	0.065	7%	0.068	C	C	.	.	H	α-helix	trans	-61.3	-55.6	174.7	-168	87.5	0	0	0	110.8	K339 V340 I341 L345 A346 H347 E366 K370 E373 Y428	K339-H343 WeakPolarHBondContact O-CB 3.29Å; K339-H343 PolarHBondContact O-N 3.48Å; V340-H343 WeakPolarHBondContact O-CB 3.26Å; V340-H343 PolarHBondContact O-N 3.01Å; I341-H343 VanDerWaalsContact C-N 3.34Å; I341-H343 PolarHBondContact O-N 3.28Å; H343-L345 VanDerWaalsContact C-N 3.28Å; H343-L345 PolarHBondContact O-N 3.04Å; H343-A346 WeakPolarHBondContact O-CB 3.4Å; H343-A346 PolarHBondContact O-N 3.5Å; H343-A346 VanDerWaalsContact O-N 3.09Å; H343-H347 AromaticContact CD2-CD2 3.59Å; H343-H347 AromaticContact CD2-NE2 3.26Å; H343-H347 PolarHBondContact CD2-NE2 3.38Å; H343-H347 VanDerWaalsContact CD2-NE2 3.26Å; H343-H347 AromaticContact CE1-NE2 3.86Å; H343-H347 AromaticContact NE2-CD2 3.94Å; H343-H347 AromaticContact NE2-NE2 3.1Å; H343-H347 PolarHBondContact NE2-NE2 2.95Å; H343-H347 VanDerWaalsContact NE2-NE2 3.1Å; H343-H347 PolarHBondContact O-CD2 3.29Å; H343-H347 VanDerWaalsContact O-CD2 3.27Å; H343-H347 PolarHBondContact O-N 2.92Å; H343-H347 VanDerWaalsContact O-N 3.12Å; H343-E366 IonicContact CE1-OE2 2.9Å; H343-E366 IonicContact NE2-OE2 3.77Å; H343-E366 PolarHBondContact NE2-OE2 3.31Å; H343-K370 PolarHBondContact CE1-N 3.2Å; H343-K370 PolarHBondContact ND1-N 3.03Å; H343-E373 HydrophobicContact CB-CG 3.88Å; H343-E373 IonicContact CE1-OE1 3.79Å; H343-E373 IonicContact CG-OE1 3.88Å; H343-E373 IonicContact ND1-OE1 2.73Å; H343-E373 PolarHBondContact ND1-OE1 2.84Å; H343-Y428 AromaticContact CE1-CE1 3.98Å; H343-Y428 AromaticContact NE2-CE1 3.83Å
344	E	98.9	Very high	98.2	Very high	9 Å²	9	10.2 Å²	10.2	4%	0.042	6%	0.058	C	C	.	.	H	α-helix	trans	-61.7	-34.9	-179.8	-58.7	-41	127.5	0	0	112.9	A308 M309 E310 T315 Y317 V340 Q348	A308-E344 VanDerWaalsContact CB-CD 3.4Å; A308-E344 HydrophobicContact CB-CG 3.63Å; A308-E344 VanDerWaalsContact CB-OE1 3.25Å; A308-E344 WeakPolarHBondContact CB-OE1 3.23Å; M309-E344 WeakPolarHBondContact CA-OE2 3.03Å; M309-E344 PolarHBondContact N-OE2 2.99Å; E310-E344 VanDerWaalsContact CA-OE2 3.28Å; E310-E344 WeakPolarHBondContact CA-OE2 3.48Å; E310-E344 PolarHBondContact N-OE2 3.38Å; T315-E344 HydrophobicContact CG2-CB 3.99Å; Y317-E344 HydrophobicContact CD1-CG 4.37Å; Y317-E344 HydrophobicContact CE1-CB 4.23Å; Y317-E344 HydrophobicContact CE1-CG 3.46Å; Y317-E344 VanDerWaalsContact CE1-CG 3.46Å; Y317-E344 VanDerWaalsContact OH-CB 3.28Å; Y317-E344 WeakPolarHBondContact OH-CB 3.45Å; Y317-E344 WeakPolarHBondContact OH-CG 3.5Å; V340-E344 HydrophobicContact CG1-CG 4.42Å; V340-E344 WeakPolarHBondContact O-CG 3.33Å; V340-E344 PolarHBondContact O-N 3.04Å; E344-Q348 PolarHBondContact O-NE2 3.35Å
345	L	98.9	Very high	98.4	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-76.4	-30.5	176.9	-67.1	-175.8	0	0	0	112.7	A276 L279 L280 Y283 Q296 I341 H343 H347 Q348 W349	A276-L345 HydrophobicContact CB-CD1 4.18Å; A276-L345 WeakPolarHBondContact O-CD1 3.48Å; L279-L345 HydrophobicContact CB-CD1 3.78Å; L280-L345 HydrophobicContact CB-CD1 4.32Å; L280-L345 HydrophobicContact CD1-CD2 4.31Å; Y283-L345 HydrophobicContact CD2-CB 3.91Å; Y283-L345 HydrophobicContact CE2-CB 3.73Å; Q296-L345 HydrophobicContact CG-CD2 4.01Å; I341-L345 HydrophobicContact CG2-CD1 3.91Å; I341-L345 HydrophobicContact CG2-CG 4.33Å; I341-L345 WeakPolarHBondContact O-CB 3.42Å; I341-L345 VanDerWaalsContact O-CG 3.25Å; I341-L345 WeakPolarHBondContact O-CG 3.17Å; I341-L345 PolarHBondContact O-N 3.06Å; H343-L345 VanDerWaalsContact C-N 3.28Å; H343-L345 PolarHBondContact O-N 3.04Å; L345-H347 VanDerWaalsContact C-N 3.3Å; L345-Q348 HydrophobicContact CD2-CG 4.46Å; L345-Q348 WeakPolarHBondContact O-CB 3.36Å; L345-Q348 WeakPolarHBondContact O-CG 3.35Å; L345-Q348 PolarHBondContact O-N 2.87Å; L345-W349 WeakPolarHBondContact O-CZ3 3.19Å
346	A	98.9	Very high	98.6	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-64	-38.5	171.6	0	0	0	0	0	111.5	Y283 A342 H343 Q348 W349 F350 A369 M372	Y283-A346 HydrophobicContact CE1-CB 4.28Å; Y283-A346 HydrophobicContact CE2-CB 4.32Å; A342-A346 WeakPolarHBondContact O-CB 3.36Å; A342-A346 PolarHBondContact O-N 2.84Å; H343-A346 WeakPolarHBondContact O-CB 3.4Å; H343-A346 PolarHBondContact O-N 3.5Å; H343-A346 VanDerWaalsContact O-N 3.09Å; A346-Q348 PolarHBondContact O-N 2.65Å; A346-Q348 VanDerWaalsContact O-N 3.13Å; A346-W349 PolarHBondContact O-N 3.45Å; A346-F350 PolarHBondContact O-N 3.37Å; A346-A369 HydrophobicContact CB-CB 4.31Å; A346-M372 HydrophobicContact CB-CB 3.74Å; A346-M372 HydrophobicContact CB-CG 4.41Å
347	H	98.9	Very high	98.7	Very high	1 Å²	1	9.8 Å²	9.8	1%	0.005	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-21.6	177.5	-79.2	-61.1	0	0	0	114.5	E310 H343 L345 W349 F350 G351 N352 E366 A369	E310-H347 HydrophobicContact CB-CB 3.31Å; E310-H347 HydrophobicContact CG-CB 3.58Å; E310-H347 IonicContact OE1-ND1 2.72Å; H343-H347 AromaticContact CD2-CD2 3.59Å; H343-H347 AromaticContact CD2-NE2 3.26Å; H343-H347 PolarHBondContact CD2-NE2 3.38Å; H343-H347 VanDerWaalsContact CD2-NE2 3.26Å; H343-H347 AromaticContact CE1-NE2 3.86Å; H343-H347 AromaticContact NE2-CD2 3.94Å; H343-H347 AromaticContact NE2-NE2 3.1Å; H343-H347 PolarHBondContact NE2-NE2 2.95Å; H343-H347 VanDerWaalsContact NE2-NE2 3.1Å; H343-H347 PolarHBondContact O-CD2 3.29Å; H343-H347 VanDerWaalsContact O-CD2 3.27Å; H343-H347 PolarHBondContact O-N 2.92Å; H343-H347 VanDerWaalsContact O-N 3.12Å; L345-H347 VanDerWaalsContact C-N 3.3Å; H347-W349 PolarHBondContact O-N 3.03Å; H347-W349 VanDerWaalsContact O-N 3.08Å; H347-F350 WeakPolarHBondContact CA-O 3.46Å; H347-F350 PolarHBondContact ND1-O 3.01Å; H347-F350 CarbonylContact O-C 3.34Å; H347-F350 PolarHBondContact O-N 3.11Å; H347-G351 PolarHBondContact O-N 2.99Å; H347-N352 WeakPolarHBondContact O-CB 3.5Å; H347-N352 PolarHBondContact O-N 3.49Å; H347-E366 IonicContact CE1-OE2 2.86Å; H347-E366 PolarHBondContact CE1-OE2 2.99Å; H347-E366 VanDerWaalsContact CE1-OE2 3.31Å; H347-E366 IonicContact NE2-OE2 3.22Å; H347-E366 PolarHBondContact NE2-OE2 3.45Å; H347-A369 WeakPolarHBondContact CE1-CB 3.41Å; H347-A369 VanDerWaalsContact NE2-CB 3.27Å; H347-A369 WeakPolarHBondContact NE2-CB 3.2Å
348	Q	98.9	Very high	98.8	Very high	2 Å²	2	10.7 Å²	10.7	1%	0.009	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-24	174.4	-50.4	-51.9	-58	0	0	111.9	Y291 E310 E344 L345 A346 N352 L353	Y291-Q348 HydrophobicContact CD2-CB 3.99Å; Y291-Q348 HydrophobicContact CD2-CG 4.33Å; Y291-Q348 HydrophobicContact CE2-CB 3.88Å; Y291-Q348 HydrophobicContact CE2-CG 3.88Å; E310-Q348 PolarHBondContact O-NE2 3.3Å; E344-Q348 PolarHBondContact O-NE2 3.35Å; L345-Q348 HydrophobicContact CD2-CG 4.46Å; L345-Q348 WeakPolarHBondContact O-CB 3.36Å; L345-Q348 WeakPolarHBondContact O-CG 3.35Å; L345-Q348 PolarHBondContact O-N 2.87Å; A346-Q348 PolarHBondContact O-N 2.65Å; A346-Q348 VanDerWaalsContact O-N 3.13Å; Q348-N352 PolarHBondContact NE2-ND2 3.5Å; Q348-N352 PolarHBondContact OE1-ND2 2.99Å; Q348-L353 WeakPolarHBondContact O-CB 3.39Å; Q348-L353 PolarHBondContact O-N 3.4Å
349	W	98.9	Very high	98.8	Very high	2 Å²	2	10.8 Å²	10.8	1%	0.008	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-51.3	168.6	-69.5	-101.8	0	0	0	112.2	L280 Y283 D284 F287 I289 Y291 L345 A346 H347 G351 V354 L455	L280-W349 HydrophobicContact CD1-CH2 3.7Å; L280-W349 HydrophobicContact CD1-CZ3 3.83Å; Y283-W349 VanDerWaalsContact CB-CZ3 3.45Å; Y283-W349 HydrophobicContact CD2-CZ3 4.35Å; Y283-W349 HydrophobicContact CG-CZ3 4.18Å; D284-W349 WeakPolarHBondContact OD1-CH2 3.29Å; D284-W349 VanDerWaalsContact OD1-CZ2 3.25Å; D284-W349 WeakPolarHBondContact OD1-CZ2 3.4Å; F287-W349 HydrophobicContact CD2-CB 4.19Å; F287-W349 AromaticContact CD2-CD1 3.79Å; F287-W349 AromaticContact CD2-CD2 3.63Å; F287-W349 HydrophobicContact CD2-CD2 3.63Å; F287-W349 AromaticContact CD2-CE2 3.87Å; F287-W349 HydrophobicContact CD2-CE3 4.16Å; F287-W349 AromaticContact CD2-CG 3.62Å; F287-W349 HydrophobicContact CD2-CG 3.62Å; F287-W349 AromaticContact CD2-NE1 3.92Å; F287-W349 HydrophobicContact CE2-CB 4.19Å; F287-W349 HydrophobicContact CE2-CD2 4.02Å; F287-W349 HydrophobicContact CE2-CE3 4.17Å; F287-W349 HydrophobicContact CE2-CG 4.03Å; F287-W349 HydrophobicContact CG-CG 4.4Å; I289-W349 VanDerWaalsContact O-CZ2 3.31Å; I289-W349 WeakPolarHBondContact O-CZ2 3.35Å; I289-W349 PolarHBondContact O-NE1 3.23Å; Y291-W349 HydrophobicContact CD2-CH2 4.4Å; L345-W349 WeakPolarHBondContact O-CZ3 3.19Å; A346-W349 PolarHBondContact O-N 3.45Å; H347-W349 PolarHBondContact O-N 3.03Å; H347-W349 VanDerWaalsContact O-N 3.08Å; W349-G351 PolarHBondContact O-N 2.86Å; W349-V354 PolarHBondContact O-N 3.49Å; W349-V354 VanDerWaalsContact O-N 3.07Å; W349-L455 HydrophobicContact CB-CD1 4.07Å; W349-L455 HydrophobicContact CB-CD2 4.1Å; W349-L455 HydrophobicContact CG-CD1 4.42Å
350	F	98.8	Very high	98.8	Very high	2 Å²	2	11.1 Å²	11.1	1%	0.009	6%	0.055	C	C	.	.	B	Isolated β-bridge	trans	-94.8	78	-178.3	-63.6	-77.5	0	0	0	112.4	F287 A346 H347 F368 M372 I451 Y454 L455	F287-F350 AromaticContact CE1-CE2 3.72Å; F287-F350 HydrophobicContact CE1-CE2 3.72Å; F287-F350 HydrophobicContact CE1-CZ 4.25Å; F287-F350 HydrophobicContact CE2-CE2 4.34Å; F287-F350 HydrophobicContact CZ-CD2 4.23Å; F287-F350 AromaticContact CZ-CE2 3.52Å; F287-F350 HydrophobicContact CZ-CE2 3.52Å; F287-F350 HydrophobicContact CZ-CZ 4.46Å; A346-F350 PolarHBondContact O-N 3.37Å; H347-F350 WeakPolarHBondContact CA-O 3.46Å; H347-F350 PolarHBondContact ND1-O 3.01Å; H347-F350 CarbonylContact O-C 3.34Å; H347-F350 PolarHBondContact O-N 3.11Å; F350-F368 HydrophobicContact CB-CB 3.86Å; F350-F368 HydrophobicContact CD1-CB 3.69Å; F350-F368 AromaticContact CD1-CD1 3.8Å; F350-F368 HydrophobicContact CD1-CD1 3.8Å; F350-F368 HydrophobicContact CD1-CD2 4.15Å; F350-F368 AromaticContact CD1-CG 3.59Å; F350-F368 HydrophobicContact CD1-CG 3.59Å; F350-F368 HydrophobicContact CD2-CB 4.09Å; F350-F368 HydrophobicContact CD2-CD1 4.39Å; F350-F368 HydrophobicContact CE1-CB 4.16Å; F350-F368 AromaticContact CE1-CD1 3.33Å; F350-F368 HydrophobicContact CE1-CD1 3.33Å; F350-F368 HydrophobicContact CE1-CD2 4.23Å; F350-F368 AromaticContact CE1-CE1 3.73Å; F350-F368 HydrophobicContact CE1-CE1 3.73Å; F350-F368 AromaticContact CE1-CG 3.62Å; F350-F368 HydrophobicContact CE1-CG 3.62Å; F350-F368 HydrophobicContact CE1-CZ 4.31Å; F350-F368 HydrophobicContact CE2-CB 4.48Å; F350-F368 AromaticContact CE2-CD1 3.97Å; F350-F368 HydrophobicContact CE2-CD1 3.97Å; F350-F368 HydrophobicContact CG-CB 3.63Å; F350-F368 HydrophobicContact CG-CD1 4.28Å; F350-F368 HydrophobicContact CG-CG 4.04Å; F350-F368 HydrophobicContact CZ-CB 4.49Å; F350-F368 AromaticContact CZ-CD1 3.4Å; F350-F368 HydrophobicContact CZ-CD1 3.4Å; F350-F368 AromaticContact CZ-CE1 3.85Å; F350-F368 HydrophobicContact CZ-CE1 3.85Å; F350-F368 HydrophobicContact CZ-CG 4.08Å; F350-M372 HydrophobicContact CD2-CG 4.36Å; F350-M372 HydrophobicContact CE2-CG 4Å; F350-I451 HydrophobicContact CE1-CG2 4.22Å; F350-I451 HydrophobicContact CE2-CG2 4.42Å; F350-I451 HydrophobicContact CZ-CG2 3.49Å; F350-I451 VanDerWaalsContact CZ-CG2 3.49Å; F350-Y454 HydrophobicContact CD1-CE1 4.4Å; F350-Y454 HydrophobicContact CE1-CD1 4.32Å; F350-Y454 HydrophobicContact CE1-CE1 4.23Å; F350-L455 HydrophobicContact CD1-CD2 3.99Å; F350-L455 HydrophobicContact CE1-CD1 4.35Å; F350-L455 HydrophobicContact CE1-CD2 3.86Å; F350-L455 HydrophobicContact CE1-CG 4.22Å; F350-L455 HydrophobicContact CE2-CD1 4.24Å; F350-L455 HydrophobicContact CG-CD2 4.5Å; F350-L455 HydrophobicContact CZ-CD1 3.96Å; F350-L455 HydrophobicContact CZ-CD2 4.29Å; F350-L455 HydrophobicContact CZ-CG 4.32Å
351	G	98.4	Very high	98.8	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	144.4	-45.5	178.7	0	0	0	0	0	111.1	Y235 H347 W349 V354 T355 N365	Y235-G351 PolarHBondContact OH-O 2.76Å; H347-G351 PolarHBondContact O-N 2.99Å; W349-G351 PolarHBondContact O-N 2.86Å; G351-V354 CarbonylContact C-O 3.55Å; G351-V354 VanDerWaalsContact CA-O 3.26Å; G351-V354 WeakPolarHBondContact CA-O 3.49Å; G351-V354 PolarHBondContact N-O 3.34Å; G351-T355 VanDerWaalsContact O-CB 3.28Å; G351-T355 WeakPolarHBondContact O-CB 3.5Å; G351-T355 WeakPolarHBondContact O-CG2 3.11Å; G351-T355 PolarHBondContact O-OG1 3.15Å; G351-N365 VanDerWaalsContact CA-CG 3.45Å; G351-N365 WeakPolarHBondContact CA-ND2 3.48Å
352	N	98.8	Very high	98.8	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-63.5	-178.7	-64.1	0.5	0	0	0	111.6	K190 L236 E310 W312 H347 Q348	K190-N352 PolarHBondContact NZ-O 3.33Å; L236-N352 HydrophobicContact CD1-CB 4.07Å; L236-N352 VanDerWaalsContact CD1-OD1 3.25Å; L236-N352 WeakPolarHBondContact CD1-OD1 3.43Å; L236-N352 WeakPolarHBondContact CD2-OD1 3.26Å; E310-N352 WeakPolarHBondContact CG-OD1 3.45Å; E310-N352 PolarHBondContact O-ND2 2.97Å; W312-N352 WeakPolarHBondContact CA-ND2 3.25Å; W312-N352 HydrophobicContact CB-CB 4.41Å; W312-N352 WeakPolarHBondContact CB-ND2 3.31Å; W312-N352 HydrophobicContact CD2-CB 3.63Å; W312-N352 HydrophobicContact CE3-CB 3.74Å; W312-N352 HydrophobicContact CG-CB 3.96Å; W312-N352 HydrophobicContact CH2-CB 4.39Å; W312-N352 HydrophobicContact CZ2-CB 4.28Å; W312-N352 HydrophobicContact CZ3-CB 4.13Å; W312-N352 WeakPolarHBondContact CZ3-O 3.01Å; H347-N352 WeakPolarHBondContact O-CB 3.5Å; H347-N352 PolarHBondContact O-N 3.49Å; Q348-N352 PolarHBondContact NE2-ND2 3.5Å; Q348-N352 PolarHBondContact OE1-ND2 2.99Å
353	L	98.8	Very high	98.8	Very high	4 Å²	4	9.5 Å²	9.5	2%	0.021	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-51.8	178.7	-176.8	64.5	0	0	0	111.1	K190 I289 W312 Q348 Y460	K190-L353 PolarHBondContact NZ-O 2.9Å; I289-L353 HydrophobicContact CG2-CD2 3.89Å; W312-L353 HydrophobicContact CH2-CB 4.17Å; W312-L353 HydrophobicContact CH2-CD1 4.13Å; W312-L353 HydrophobicContact CZ2-CB 4.3Å; W312-L353 HydrophobicContact CZ2-CD1 4.46Å; Q348-L353 WeakPolarHBondContact O-CB 3.39Å; Q348-L353 PolarHBondContact O-N 3.4Å; L353-Y460 HydrophobicContact CD1-CD1 3.95Å; L353-Y460 HydrophobicContact CD1-CD2 4.14Å; L353-Y460 HydrophobicContact CD1-CE1 3.72Å; L353-Y460 HydrophobicContact CD1-CE2 3.94Å; L353-Y460 HydrophobicContact CD1-CG 4.15Å; L353-Y460 VanDerWaalsContact O-CA 3.3Å; L353-Y460 WeakPolarHBondContact O-CA 3.33Å; L353-Y460 PolarHBondContact O-N 2.88Å
354	V	98.9	Very high	98.8	Very high	2 Å²	2	8.9 Å²	8.9	1%	0.012	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	121.1	173.8	-173.5	0	0	0	0	108.3	W349 G351 Y454 L455 T463	W349-V354 PolarHBondContact O-N 3.49Å; W349-V354 VanDerWaalsContact O-N 3.07Å; G351-V354 CarbonylContact C-O 3.55Å; G351-V354 VanDerWaalsContact CA-O 3.26Å; G351-V354 WeakPolarHBondContact CA-O 3.49Å; G351-V354 PolarHBondContact N-O 3.34Å; V354-Y454 HydrophobicContact CB-CE1 4.44Å; V354-Y454 HydrophobicContact CG1-CE1 3.92Å; V354-L455 HydrophobicContact CB-CD2 4.26Å; V354-L455 HydrophobicContact CG2-CD2 3.81Å; V354-T463 HydrophobicContact CG1-CG2 3.62Å
355	T	98.9	Very high	98.8	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	146.1	-175	-45.8	0	0	0	0	109.4	P187 K190 Y235 G351 Q461 N462 T463	P187-T355 HydrophobicContact CB-CG2 4Å; K190-T355 WeakPolarHBondContact CE-OG1 3.38Å; K190-T355 PolarHBondContact NZ-OG1 2.85Å; Y235-T355 HydrophobicContact CE1-CG2 3.88Å; G351-T355 VanDerWaalsContact O-CB 3.28Å; G351-T355 WeakPolarHBondContact O-CB 3.5Å; G351-T355 WeakPolarHBondContact O-CG2 3.11Å; G351-T355 PolarHBondContact O-OG1 3.15Å; T355-Q461 PolarHBondContact N-O 3.31Å; T355-N462 CarbonylContact O-C 3.53Å; T355-N462 WeakPolarHBondContact O-CA 3.27Å; T355-N462 WeakPolarHBondContact O-CB 3.5Å; T355-T463 PolarHBondContact O-N 2.65Å
356	M	98.8	Very high	98.8	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.9	145.9	165.3	69.9	-62.5	-172.9	0	0	111.9	W358 W359 D361 L362 N365 N462 T463	M356-W358 VanDerWaalsContact C-N 3.33Å; M356-W358 VanDerWaalsContact CG-O 3.26Å; M356-W358 WeakPolarHBondContact CG-O 3.39Å; M356-W359 HydrophobicContact CE-CD2 3.96Å; M356-W359 HydrophobicContact CE-CE3 3.21Å; M356-W359 HydrophobicContact CE-CH2 3.6Å; M356-W359 HydrophobicContact CE-CZ2 4.32Å; M356-W359 HydrophobicContact CE-CZ3 3Å; M356-D361 HydrophobicContact CB-CB 4.13Å; M356-D361 WeakPolarHBondContact CB-O 3.47Å; M356-L362 HydrophobicContact CE-CD1 3.86Å; M356-N365 PolarHBondContact N-OD1 2.78Å; M356-N365 PolarHBondContact SD-ND2 3.21Å; M356-N365 PolarHBondContact SD-OD1 3.48Å; M356-N462 PolarHBondContact O-ND2 3.33Å; M356-T463 CarbonylContact C-O 3.54Å; M356-T463 WeakPolarHBondContact CA-O 3.28Å
357	E	98.8	Very high	98.8	Very high	98 Å²	98	8.6 Å²	8.6	46%	0.458	4%	0.041	S	C	.	.	S	Bend	trans	-69	-35.7	177.6	-175.8	170.2	-143.1	0	0	111.8	A188 N462 T463 V464	A188-E357 HydrophobicContact CB-CG 4.25Å; E357-N462 HydrophobicContact CB-CB 4.05Å; E357-N462 HydrophobicContact CG-CB 4.49Å; E357-T463 PolarHBondContact N-O 3.43Å; E357-V464 HydrophobicContact CB-CG1 3.98Å; E357-V464 WeakPolarHBondContact OE2-CG1 3.21Å
358	W	98.8	Very high	98.8	Very high	21 Å²	21	8.6 Å²	8.6	8%	0.08	4%	0.041	C	C	.	.	S	Bend	trans	-150.4	162.2	174	-178.5	-114.2	0	0	0	110.4	E186 P187 M356 N360 D361 V413 I419	E186-W358 HydrophobicContact CB-CE3 4.42Å; E186-W358 HydrophobicContact CB-CZ3 3.92Å; E186-W358 HydrophobicContact CG-CZ3 3.93Å; P187-W358 HydrophobicContact CG-CE3 4.36Å; M356-W358 VanDerWaalsContact C-N 3.33Å; M356-W358 VanDerWaalsContact CG-O 3.26Å; M356-W358 WeakPolarHBondContact CG-O 3.39Å; W358-N360 WeakPolarHBondContact CB-OD1 3.39Å; W358-N360 VanDerWaalsContact CD1-OD1 3.24Å; W358-N360 PolarHBondContact O-N 2.88Å; W358-D361 PolarHBondContact O-N 2.97Å; W358-D361 VanDerWaalsContact O-N 3.09Å; W358-V413 PolarHBondContact NE1-O 2.85Å; W358-I419 HydrophobicContact CH2-CD1 3.83Å; W358-I419 HydrophobicContact CZ2-CD1 3.74Å; W358-I419 HydrophobicContact CZ2-CG1 4.35Å
359	W	98.8	Very high	98.8	Very high	2 Å²	2	8.5 Å²	8.5	1%	0.008	4%	0.04	C	C	.	.	G	3₁₀ helix	trans	-62.1	-12.6	-173.9	-56.7	106.6	0	0	0	115	E173 A174 P187 Y235 M356 D361 L362 V413 I419 F423	E173-W359 HydrophobicContact CG-CH2 3.78Å; E173-W359 HydrophobicContact CG-CZ3 3.93Å; E173-W359 WeakPolarHBondContact OE1-CZ3 3.45Å; A174-W359 HydrophobicContact CB-CD2 4.1Å; A174-W359 HydrophobicContact CB-CE3 4.03Å; A174-W359 HydrophobicContact CB-CH2 3.7Å; A174-W359 HydrophobicContact CB-CZ2 3.71Å; A174-W359 HydrophobicContact CB-CZ3 3.82Å; A174-W359 WeakPolarHBondContact O-CZ2 3.49Å; P187-W359 HydrophobicContact CG-CZ2 4.15Å; Y235-W359 HydrophobicContact CD1-CH2 4.02Å; Y235-W359 HydrophobicContact CD1-CZ2 4.41Å; Y235-W359 HydrophobicContact CE1-CH2 4.34Å; Y235-W359 HydrophobicContact CG-CH2 4.14Å; M356-W359 HydrophobicContact CE-CD2 3.96Å; M356-W359 HydrophobicContact CE-CE3 3.21Å; M356-W359 HydrophobicContact CE-CH2 3.6Å; M356-W359 HydrophobicContact CE-CZ2 4.32Å; M356-W359 HydrophobicContact CE-CZ3 3Å; W359-D361 PolarHBondContact O-N 3.29Å; W359-L362 HydrophobicContact CE3-CD1 4.03Å; W359-L362 HydrophobicContact CZ3-CD1 4.06Å; W359-L362 WeakPolarHBondContact O-CB 3.34Å; W359-L362 PolarHBondContact O-N 2.69Å; W359-V413 HydrophobicContact CB-CG2 3.84Å; W359-I419 HydrophobicContact CB-CB 4.44Å; W359-I419 HydrophobicContact CB-CG1 4.04Å; W359-I419 HydrophobicContact CB-CG2 3.84Å; W359-I419 HydrophobicContact CD2-CG2 3.66Å; W359-I419 HydrophobicContact CE3-CG2 4.14Å; W359-I419 HydrophobicContact CG-CB 4.37Å; W359-I419 HydrophobicContact CG-CD1 4.27Å; W359-I419 HydrophobicContact CG-CG1 4.04Å; W359-I419 HydrophobicContact CG-CG2 3.47Å; W359-I419 VanDerWaalsContact CG-CG2 3.47Å; W359-F423 HydrophobicContact CE3-CE2 4.39Å; W359-F423 HydrophobicContact CE3-CZ 4.18Å; W359-F423 HydrophobicContact CZ3-CE2 4.47Å; W359-F423 AromaticContact CZ3-CZ 3.86Å; W359-F423 HydrophobicContact CZ3-CZ 3.86Å
360	N	98.6	Very high	98.8	Very high	39 Å²	39	9.8 Å²	9.8	21%	0.209	5%	0.046	C	C	.	.	G	3₁₀ helix	trans	-60.8	-28.8	171.7	65.4	-83.3	0	0	0	112.5	W358 S410 T411	W358-N360 WeakPolarHBondContact CB-OD1 3.39Å; W358-N360 VanDerWaalsContact CD1-OD1 3.24Å; W358-N360 PolarHBondContact O-N 2.88Å; N360-S410 VanDerWaalsContact O-CA 3.32Å; N360-S410 WeakPolarHBondContact O-CA 3.49Å; N360-T411 VanDerWaalsContact CA-O 3.25Å; N360-T411 WeakPolarHBondContact CA-O 3.21Å; N360-T411 WeakPolarHBondContact CB-O 3.45Å; N360-T411 PolarHBondContact O-N 3.42Å
361	D	98.8	Very high	98.8	Very high	4 Å²	4	9.8 Å²	9.8	2%	0.021	5%	0.046	C	C	.	.	G	3₁₀ helix	trans	-107.8	28.5	179.8	-71.1	-19.7	0	0	0	111.4	M356 W358 W359 W363 L364 S410 V464 N465	M356-D361 HydrophobicContact CB-CB 4.13Å; M356-D361 WeakPolarHBondContact CB-O 3.47Å; W358-D361 PolarHBondContact O-N 2.97Å; W358-D361 VanDerWaalsContact O-N 3.09Å; W359-D361 PolarHBondContact O-N 3.29Å; D361-W363 PolarHBondContact O-N 2.92Å; D361-L364 HydrophobicContact CB-CD1 3.86Å; D361-L364 HydrophobicContact CB-CG 4.17Å; D361-L364 WeakPolarHBondContact O-CB 3.39Å; D361-L364 PolarHBondContact O-N 2.89Å; D361-S410 WeakPolarHBondContact OD1-CB 3.45Å; D361-S410 PolarHBondContact OD1-OG 2.79Å; D361-V464 WeakPolarHBondContact OD2-CA 3.43Å; D361-N465 VanDerWaalsContact OD1-CG 3.23Å; D361-N465 PolarHBondContact OD1-ND2 2.73Å; D361-N465 PolarHBondContact OD1-OD1 3.41Å; D361-N465 VanDerWaalsContact OD1-OD1 3.09Å; D361-N465 PolarHBondContact OD2-N 3.37Å; D361-N465 PolarHBondContact OD2-OD1 2.65Å
362	L	98.8	Very high	98.8	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-32.7	178.6	174.5	64.1	0	0	0	112.8	M356 W359 L364 N365 E366 M422 F423	M356-L362 HydrophobicContact CE-CD1 3.86Å; W359-L362 HydrophobicContact CE3-CD1 4.03Å; W359-L362 HydrophobicContact CZ3-CD1 4.06Å; W359-L362 WeakPolarHBondContact O-CB 3.34Å; W359-L362 PolarHBondContact O-N 2.69Å; L362-L364 PolarHBondContact O-N 2.89Å; L362-L364 VanDerWaalsContact O-N 3.09Å; L362-N365 WeakPolarHBondContact O-CB 3.4Å; L362-N365 PolarHBondContact O-N 2.93Å; L362-E366 HydrophobicContact CD1-CG 3.76Å; L362-E366 HydrophobicContact CD2-CG 4.29Å; L362-E366 HydrophobicContact CG-CG 3.77Å; L362-E366 PolarHBondContact O-N 2.6Å; L362-M422 HydrophobicContact CB-CB 4.41Å; L362-M422 HydrophobicContact CD2-CB 3.71Å; L362-F423 HydrophobicContact CD1-CE1 3.96Å; L362-F423 HydrophobicContact CD1-CZ 3.9Å; L362-F423 HydrophobicContact CD2-CD1 3.79Å; L362-F423 HydrophobicContact CD2-CD2 3.69Å; L362-F423 HydrophobicContact CD2-CE1 3.73Å; L362-F423 HydrophobicContact CD2-CE2 3.63Å; L362-F423 HydrophobicContact CD2-CG 3.77Å; L362-F423 HydrophobicContact CD2-CZ 3.65Å; L362-F423 HydrophobicContact CG-CE1 4.47Å; L362-F423 HydrophobicContact CG-CZ 4.45Å
363	W	98.8	Very high	98.8	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-57.9	-22.2	177.2	82.1	-81.7	0	0	0	114.1	D361 N365 G367 V409 I434 L435 N465 L468 W469 T520	D361-W363 PolarHBondContact O-N 2.92Å; W363-N365 PolarHBondContact O-N 3.29Å; W363-G367 VanDerWaalsContact O-CA 3.31Å; W363-G367 WeakPolarHBondContact O-CA 3.29Å; W363-G367 PolarHBondContact O-N 2.78Å; W363-V409 HydrophobicContact CB-CG1 3.52Å; W363-V409 HydrophobicContact CD2-CG1 3.57Å; W363-V409 HydrophobicContact CE3-CG1 4.08Å; W363-V409 HydrophobicContact CG-CG1 3.28Å; W363-I434 HydrophobicContact CZ3-CD1 4.42Å; W363-L435 HydrophobicContact CZ3-CD2 4.21Å; W363-L435 HydrophobicContact CZ3-CG 4.3Å; W363-N465 WeakPolarHBondContact CZ2-OD1 3.08Å; W363-N465 PolarHBondContact NE1-OD1 2.9Å; W363-L468 HydrophobicContact CH2-CD2 3.73Å; W363-L468 HydrophobicContact CZ2-CD2 4.37Å; W363-L468 HydrophobicContact CZ3-CD2 4.5Å; W363-W469 AromaticContact CH2-CH2 3.45Å; W363-W469 HydrophobicContact CH2-CH2 3.45Å; W363-W469 VanDerWaalsContact CH2-CH2 3.45Å; W363-W469 AromaticContact CH2-CZ2 3.67Å; W363-W469 HydrophobicContact CH2-CZ2 3.67Å; W363-W469 HydrophobicContact CH2-CZ3 4.43Å; W363-W469 HydrophobicContact CZ2-CH2 4.13Å; W363-W469 AromaticContact CZ2-CZ2 3.86Å; W363-W469 HydrophobicContact CZ2-CZ2 3.86Å; W363-W469 HydrophobicContact CZ3-CH2 4.41Å; W363-T520 HydrophobicContact CH2-CG2 4.1Å; W363-T520 HydrophobicContact CZ2-CG2 3.84Å
364	L	98.8	Very high	98.7	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.005	5%	0.048	C	C	.	.	H	α-helix	trans	-64.5	-25.1	173.1	-68.2	178.7	0	0	0	112.4	D361 L362 F368 L468	D361-L364 HydrophobicContact CB-CD1 3.86Å; D361-L364 HydrophobicContact CB-CG 4.17Å; D361-L364 WeakPolarHBondContact O-CB 3.39Å; D361-L364 PolarHBondContact O-N 2.89Å; L362-L364 PolarHBondContact O-N 2.89Å; L362-L364 VanDerWaalsContact O-N 3.09Å; L364-F368 VanDerWaalsContact O-CD2 3.31Å; L364-F368 WeakPolarHBondContact O-CD2 3.48Å; L364-L468 HydrophobicContact CD2-CB 4.34Å; L364-L468 HydrophobicContact CD2-CD2 3.86Å
365	N	98.8	Very high	98.7	Very high	1 Å²	1	11 Å²	11	1%	0.005	5%	0.052	C	C	.	.	H	α-helix	trans	-88.1	-62	168.4	-64.6	19.9	0	0	0	109	Y235 G351 M356 L362 W363 F368 A369	Y235-N365 PolarHBondContact OH-ND2 2.84Å; G351-N365 VanDerWaalsContact CA-CG 3.45Å; G351-N365 WeakPolarHBondContact CA-ND2 3.48Å; M356-N365 PolarHBondContact N-OD1 2.78Å; M356-N365 PolarHBondContact SD-ND2 3.21Å; M356-N365 PolarHBondContact SD-OD1 3.48Å; L362-N365 WeakPolarHBondContact O-CB 3.4Å; L362-N365 PolarHBondContact O-N 2.93Å; W363-N365 PolarHBondContact O-N 3.29Å; N365-F368 PolarHBondContact O-N 3.48Å; N365-A369 WeakPolarHBondContact O-CB 3.47Å; N365-A369 PolarHBondContact O-N 3.5Å
366	E	98.8	Very high	98.6	Very high	2 Å²	2	11 Å²	11	1%	0.009	5%	0.052	C	C	.	.	H	α-helix	trans	-74.7	-40.8	-163	-63.3	-65.9	-165.3	0	0	114.1	H343 H347 L362 F368 A369 K370 Y428	H343-E366 IonicContact CE1-OE2 2.9Å; H343-E366 IonicContact NE2-OE2 3.77Å; H343-E366 PolarHBondContact NE2-OE2 3.31Å; H347-E366 IonicContact CE1-OE2 2.86Å; H347-E366 PolarHBondContact CE1-OE2 2.99Å; H347-E366 VanDerWaalsContact CE1-OE2 3.31Å; H347-E366 IonicContact NE2-OE2 3.22Å; H347-E366 PolarHBondContact NE2-OE2 3.45Å; L362-E366 HydrophobicContact CD1-CG 3.76Å; L362-E366 HydrophobicContact CD2-CG 4.29Å; L362-E366 HydrophobicContact CG-CG 3.77Å; L362-E366 PolarHBondContact O-N 2.6Å; E366-F368 VanDerWaalsContact C-N 3.28Å; E366-F368 PolarHBondContact O-N 2.96Å; E366-A369 PolarHBondContact O-N 2.71Å; E366-K370 WeakPolarHBondContact O-CB 3.44Å; E366-K370 PolarHBondContact O-N 2.88Å; E366-Y428 HydrophobicContact CB-CD1 3.89Å; E366-Y428 HydrophobicContact CB-CD2 4.16Å; E366-Y428 HydrophobicContact CB-CE1 3.87Å; E366-Y428 HydrophobicContact CB-CE2 4.15Å; E366-Y428 HydrophobicContact CB-CG 4.05Å; E366-Y428 HydrophobicContact CG-CD1 4.46Å; E366-Y428 HydrophobicContact CG-CD2 4.49Å; E366-Y428 HydrophobicContact CG-CE1 3.95Å; E366-Y428 HydrophobicContact CG-CE2 3.99Å; E366-Y428 PolarHBondContact OE1-OH 2.81Å; E366-Y428 WeakPolarHBondContact OE2-CE1 3.26Å; E366-Y428 VanDerWaalsContact OE2-CZ 3.26Å; E366-Y428 PolarHBondContact OE2-OH 3.3Å
367	G	98.8	Very high	98.6	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-63.6	-37.1	174.3	0	0	0	0	0	111.4	W363 F371 S427	W363-G367 VanDerWaalsContact O-CA 3.31Å; W363-G367 WeakPolarHBondContact O-CA 3.29Å; W363-G367 PolarHBondContact O-N 2.78Å; G367-F371 WeakPolarHBondContact O-CB 3.38Å; G367-F371 PolarHBondContact O-N 3.23Å; G367-S427 WeakPolarHBondContact CA-O 3.44Å; G367-S427 PolarHBondContact N-O 3.33Å
368	F	98.9	Very high	98.5	Very high	1 Å²	1	9.8 Å²	9.8	0%	0.004	5%	0.048	C	C	.	.	H	α-helix	trans	-71.7	-46.8	176.1	-93	-78.5	0	0	0	113.2	F350 L364 N365 E366 K370 F371 M372 L435 F447 I451 L468	F350-F368 HydrophobicContact CB-CB 3.86Å; F350-F368 HydrophobicContact CD1-CB 3.69Å; F350-F368 AromaticContact CD1-CD1 3.8Å; F350-F368 HydrophobicContact CD1-CD1 3.8Å; F350-F368 HydrophobicContact CD1-CD2 4.15Å; F350-F368 AromaticContact CD1-CG 3.59Å; F350-F368 HydrophobicContact CD1-CG 3.59Å; F350-F368 HydrophobicContact CD2-CB 4.09Å; F350-F368 HydrophobicContact CD2-CD1 4.39Å; F350-F368 HydrophobicContact CE1-CB 4.16Å; F350-F368 AromaticContact CE1-CD1 3.33Å; F350-F368 HydrophobicContact CE1-CD1 3.33Å; F350-F368 HydrophobicContact CE1-CD2 4.23Å; F350-F368 AromaticContact CE1-CE1 3.73Å; F350-F368 HydrophobicContact CE1-CE1 3.73Å; F350-F368 AromaticContact CE1-CG 3.62Å; F350-F368 HydrophobicContact CE1-CG 3.62Å; F350-F368 HydrophobicContact CE1-CZ 4.31Å; F350-F368 HydrophobicContact CE2-CB 4.48Å; F350-F368 AromaticContact CE2-CD1 3.97Å; F350-F368 HydrophobicContact CE2-CD1 3.97Å; F350-F368 HydrophobicContact CG-CB 3.63Å; F350-F368 HydrophobicContact CG-CD1 4.28Å; F350-F368 HydrophobicContact CG-CG 4.04Å; F350-F368 HydrophobicContact CZ-CB 4.49Å; F350-F368 AromaticContact CZ-CD1 3.4Å; F350-F368 HydrophobicContact CZ-CD1 3.4Å; F350-F368 AromaticContact CZ-CE1 3.85Å; F350-F368 HydrophobicContact CZ-CE1 3.85Å; F350-F368 HydrophobicContact CZ-CG 4.08Å; L364-F368 VanDerWaalsContact O-CD2 3.31Å; L364-F368 WeakPolarHBondContact O-CD2 3.48Å; N365-F368 PolarHBondContact O-N 3.48Å; E366-F368 VanDerWaalsContact C-N 3.28Å; E366-F368 PolarHBondContact O-N 2.96Å; F368-K370 VanDerWaalsContact C-N 3.32Å; F368-K370 PolarHBondContact O-N 3.24Å; F368-F371 PolarHBondContact O-N 2.74Å; F368-M372 WeakPolarHBondContact O-CB 3.33Å; F368-M372 VanDerWaalsContact O-CG 3.32Å; F368-M372 WeakPolarHBondContact O-CG 3.35Å; F368-M372 PolarHBondContact O-N 3.5Å; F368-L435 HydrophobicContact CB-CD1 4.48Å; F368-L435 HydrophobicContact CD1-CD1 3.88Å; F368-L435 HydrophobicContact CD2-CD1 3.79Å; F368-L435 HydrophobicContact CE1-CD1 3.92Å; F368-L435 HydrophobicContact CE1-CD2 4.01Å; F368-L435 HydrophobicContact CE2-CD1 3.84Å; F368-L435 HydrophobicContact CE2-CD2 3.8Å; F368-L435 HydrophobicContact CE2-CG 4.47Å; F368-L435 HydrophobicContact CG-CD1 3.82Å; F368-L435 HydrophobicContact CZ-CD1 3.9Å; F368-L435 HydrophobicContact CZ-CD2 3.46Å; F368-L435 VanDerWaalsContact CZ-CD2 3.46Å; F368-L435 HydrophobicContact CZ-CG 4.35Å; F368-F447 HydrophobicContact CE1-CZ 4.2Å; F368-I451 HydrophobicContact CE1-CD1 3.33Å; F368-I451 HydrophobicContact CE1-CG1 4.14Å; F368-I451 HydrophobicContact CZ-CD1 3.49Å; F368-I451 VanDerWaalsContact CZ-CD1 3.49Å; F368-L468 HydrophobicContact CE2-CD1 4.07Å; F368-L468 HydrophobicContact CE2-CD2 3.56Å; F368-L468 HydrophobicContact CE2-CG 4.46Å; F368-L468 HydrophobicContact CZ-CD1 3.73Å; F368-L468 HydrophobicContact CZ-CD2 3.82Å; F368-L468 HydrophobicContact CZ-CG 4.42Å
369	A	98.8	Very high	98.4	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-61.5	-44	177.5	0	0	0	0	0	110.8	A346 H347 N365 E366 F371 M372 E373	A346-A369 HydrophobicContact CB-CB 4.31Å; H347-A369 WeakPolarHBondContact CE1-CB 3.41Å; H347-A369 VanDerWaalsContact NE2-CB 3.27Å; H347-A369 WeakPolarHBondContact NE2-CB 3.2Å; N365-A369 WeakPolarHBondContact O-CB 3.47Å; N365-A369 PolarHBondContact O-N 3.5Å; E366-A369 PolarHBondContact O-N 2.71Å; A369-F371 PolarHBondContact O-N 3.35Å; A369-M372 PolarHBondContact O-N 2.87Å; A369-E373 PolarHBondContact O-N 3.49Å; A369-E373 VanDerWaalsContact O-N 3.11Å
370	K	98.7	Very high	98.3	Very high	28 Å²	28	13.6 Å²	13.6	12%	0.122	7%	0.07	C	C	.	.	H	α-helix	trans	-57.9	-45.8	173.3	-178.3	61.2	63.9	-144.7	0	112.3	H343 E366 F368 E373 F374 A432	H343-K370 PolarHBondContact CE1-N 3.2Å; H343-K370 PolarHBondContact ND1-N 3.03Å; E366-K370 WeakPolarHBondContact O-CB 3.44Å; E366-K370 PolarHBondContact O-N 2.88Å; F368-K370 VanDerWaalsContact C-N 3.32Å; F368-K370 PolarHBondContact O-N 3.24Å; K370-E373 WeakPolarHBondContact CA-OE1 3.34Å; K370-E373 WeakPolarHBondContact CD-OE1 3.32Å; K370-E373 WeakPolarHBondContact CE-OE1 3.39Å; K370-E373 IonicContact NZ-OE1 3.71Å; K370-E373 PolarHBondContact NZ-OE1 2.89Å; K370-E373 IonicContact NZ-OE2 2.62Å; K370-E373 WeakPolarHBondContact O-CB 3.44Å; K370-E373 PolarHBondContact O-N 3.3Å; K370-F374 HydrophobicContact CD-CE2 4.4Å; K370-F374 WeakPolarHBondContact O-CD2 3.33Å; K370-A432 HydrophobicContact CB-CB 3.93Å; K370-A432 HydrophobicContact CG-CB 3.58Å
371	F	98.7	Very high	98.2	Very high	2 Å²	2	12.5 Å²	12.5	1%	0.009	6%	0.063	C	C	.	.	H	α-helix	trans	-64.1	-42.9	177.4	174.5	-108.1	0	0	0	112.4	G367 F368 A369 E373 F374 I375 A432 L435 N436 R439 F447	G367-F371 WeakPolarHBondContact O-CB 3.38Å; G367-F371 PolarHBondContact O-N 3.23Å; F368-F371 PolarHBondContact O-N 2.74Å; A369-F371 PolarHBondContact O-N 3.35Å; F371-E373 VanDerWaalsContact C-N 3.27Å; F371-E373 PolarHBondContact O-N 3.44Å; F371-F374 PolarHBondContact O-N 3.43Å; F371-I375 HydrophobicContact CD1-CG1 4.24Å; F371-I375 HydrophobicContact CE1-CD1 4.27Å; F371-I375 HydrophobicContact CE1-CG1 3.68Å; F371-I375 HydrophobicContact CE2-CD1 4.07Å; F371-I375 HydrophobicContact CE2-CG1 4.1Å; F371-I375 HydrophobicContact CZ-CD1 3.69Å; F371-I375 HydrophobicContact CZ-CG1 3.6Å; F371-I375 PolarHBondContact O-N 2.79Å; F371-A432 HydrophobicContact CB-CB 4.01Å; F371-L435 HydrophobicContact CB-CB 4.46Å; F371-L435 HydrophobicContact CB-CD1 4.09Å; F371-L435 HydrophobicContact CD1-CB 4.42Å; F371-L435 HydrophobicContact CD2-CB 4.18Å; F371-L435 HydrophobicContact CG-CB 4.09Å; F371-L435 HydrophobicContact CG-CD1 4.39Å; F371-N436 HydrophobicContact CD2-CB 4.24Å; F371-N436 HydrophobicContact CE2-CB 3.89Å; F371-R439 HydrophobicContact CZ-CB 4.42Å; F371-F447 HydrophobicContact CD1-CE1 4.5Å; F371-F447 AromaticContact CE1-CE1 3.63Å; F371-F447 HydrophobicContact CE1-CE1 3.63Å; F371-F447 AromaticContact CE1-CZ 4Å; F371-F447 HydrophobicContact CE1-CZ 4Å; F371-F447 HydrophobicContact CZ-CE1 4.2Å; F371-F447 HydrophobicContact CZ-CZ 4.48Å
372	M	98.6	Very high	98.1	Very high	3 Å²	3	15.6 Å²	15.6	2%	0.015	8%	0.083	C	C	.	.	H	α-helix	trans	-69.7	-20.3	-178.7	-73.1	-52.5	-53	0	0	113.6	F282 Y283 Y286 F287 A346 F350 F368 A369 F374 I375 S376	F282-M372 HydrophobicContact CE1-CE 4.24Å; Y283-M372 HydrophobicContact CD1-CE 4.25Å; Y283-M372 HydrophobicContact CE1-CB 4.19Å; Y283-M372 HydrophobicContact CE1-CE 3.7Å; Y283-M372 PolarHBondContact OH-O 2.93Å; Y286-M372 HydrophobicContact CD1-CE 4.02Å; Y286-M372 HydrophobicContact CE1-CE 3.83Å; Y286-M372 HydrophobicContact CE1-SD 4.47Å; F287-M372 HydrophobicContact CE1-CE 4.06Å; F287-M372 HydrophobicContact CE1-SD 4.27Å; F287-M372 HydrophobicContact CZ-CE 3.72Å; F287-M372 HydrophobicContact CZ-CG 4.21Å; F287-M372 HydrophobicContact CZ-SD 4.12Å; A346-M372 HydrophobicContact CB-CB 3.74Å; A346-M372 HydrophobicContact CB-CG 4.41Å; F350-M372 HydrophobicContact CD2-CG 4.36Å; F350-M372 HydrophobicContact CE2-CG 4Å; F368-M372 WeakPolarHBondContact O-CB 3.33Å; F368-M372 VanDerWaalsContact O-CG 3.32Å; F368-M372 WeakPolarHBondContact O-CG 3.35Å; F368-M372 PolarHBondContact O-N 3.5Å; A369-M372 PolarHBondContact O-N 2.87Å; M372-F374 VanDerWaalsContact C-N 3.28Å; M372-F374 PolarHBondContact O-N 3.17Å; M372-I375 HydrophobicContact CE-CB 3.98Å; M372-I375 HydrophobicContact CE-CG2 3.93Å; M372-I375 HydrophobicContact SD-CB 4.28Å; M372-I375 HydrophobicContact SD-CG1 4.42Å; M372-S376 VanDerWaalsContact O-CB 3.22Å; M372-S376 WeakPolarHBondContact O-CB 3.42Å; M372-S376 PolarHBondContact O-N 3.24Å; M372-S376 PolarHBondContact O-OG 2.57Å
373	E	98.4	Very high	97.8	Very high	6 Å²	6	19.8 Å²	19.8	3%	0.028	10%	0.103	C	C	.	.	H	α-helix	trans	-51.8	-49.7	167.4	-68.7	170.5	-144.1	0	0	110.9	K339 H343 A369 K370 F371 S376 L377	K339-E373 WeakPolarHBondContact CE-OE2 3.17Å; K339-E373 IonicContact NZ-OE2 3.34Å; H343-E373 HydrophobicContact CB-CG 3.88Å; H343-E373 IonicContact CE1-OE1 3.79Å; H343-E373 IonicContact CG-OE1 3.88Å; H343-E373 IonicContact ND1-OE1 2.73Å; H343-E373 PolarHBondContact ND1-OE1 2.84Å; A369-E373 PolarHBondContact O-N 3.49Å; A369-E373 VanDerWaalsContact O-N 3.11Å; K370-E373 WeakPolarHBondContact CA-OE1 3.34Å; K370-E373 WeakPolarHBondContact CD-OE1 3.32Å; K370-E373 WeakPolarHBondContact CE-OE1 3.39Å; K370-E373 IonicContact NZ-OE1 3.71Å; K370-E373 PolarHBondContact NZ-OE1 2.89Å; K370-E373 IonicContact NZ-OE2 2.62Å; K370-E373 WeakPolarHBondContact O-CB 3.44Å; K370-E373 PolarHBondContact O-N 3.3Å; F371-E373 VanDerWaalsContact C-N 3.27Å; F371-E373 PolarHBondContact O-N 3.44Å; E373-S376 PolarHBondContact O-OG 3Å; E373-L377 VanDerWaalsContact O-CB 3.3Å; E373-L377 WeakPolarHBondContact O-CB 3.35Å; E373-L377 WeakPolarHBondContact O-CD1 3.35Å; E373-L377 PolarHBondContact O-N 3.04Å
374	F	97.9	Very high	97.5	Very high	5 Å²	5	19.9 Å²	19.9	2%	0.022	10%	0.103	C	C	.	.	H	α-helix	trans	-74.1	-44.3	-174.1	-66.2	-92.4	0	0	0	111.3	K370 F371 M372 S376 L377 D378 V386 F390 K393	K370-F374 HydrophobicContact CD-CE2 4.4Å; K370-F374 WeakPolarHBondContact O-CD2 3.33Å; F371-F374 PolarHBondContact O-N 3.43Å; M372-F374 VanDerWaalsContact C-N 3.28Å; M372-F374 PolarHBondContact O-N 3.17Å; F374-S376 PolarHBondContact O-N 3.32Å; F374-L377 PolarHBondContact O-N 3.27Å; F374-D378 VanDerWaalsContact O-CB 3.31Å; F374-D378 WeakPolarHBondContact O-CB 3.21Å; F374-D378 PolarHBondContact O-N 3.41Å; F374-V386 HydrophobicContact CD1-CB 4.11Å; F374-V386 HydrophobicContact CD1-CG2 4.32Å; F374-V386 WeakPolarHBondContact CD1-O 3.29Å; F374-V386 WeakPolarHBondContact CE1-O 3.43Å; F374-F390 HydrophobicContact CB-CD2 4.3Å; F374-F390 HydrophobicContact CD1-CB 3.73Å; F374-F390 AromaticContact CD1-CD2 3.82Å; F374-F390 HydrophobicContact CD1-CD2 3.82Å; F374-F390 HydrophobicContact CD1-CG 4.26Å; F374-F390 AromaticContact CD2-CD2 3.51Å; F374-F390 HydrophobicContact CD2-CD2 3.51Å; F374-F390 HydrophobicContact CD2-CE2 4.02Å; F374-F390 HydrophobicContact CE1-CB 3.64Å; F374-F390 AromaticContact CE1-CD2 3.92Å; F374-F390 HydrophobicContact CE1-CD2 3.92Å; F374-F390 HydrophobicContact CE1-CG 4.31Å; F374-F390 AromaticContact CE2-CD2 3.62Å; F374-F390 HydrophobicContact CE2-CD2 3.62Å; F374-F390 HydrophobicContact CE2-CE2 4.21Å; F374-F390 HydrophobicContact CG-CB 4.36Å; F374-F390 AromaticContact CG-CD2 3.6Å; F374-F390 HydrophobicContact CG-CD2 3.6Å; F374-F390 HydrophobicContact CG-CE2 4.4Å; F374-F390 HydrophobicContact CG-CG 4.42Å; F374-F390 HydrophobicContact CZ-CB 4.19Å; F374-F390 AromaticContact CZ-CD2 3.8Å; F374-F390 HydrophobicContact CZ-CD2 3.8Å; F374-F390 HydrophobicContact CZ-CG 4.49Å; F374-K393 HydrophobicContact CE2-CG 4.5Å; F374-K393 HydrophobicContact CZ-CG 4.15Å
375	I	97.9	Very high	97.2	Very high	19 Å²	19	24 Å²	24	10%	0.097	12%	0.122	C	C	.	.	H	α-helix	trans	-61.3	-45.3	178.2	-58	-57.6	0	0	0	111.6	Y286 F371 M372 I379	Y286-I375 HydrophobicContact CE2-CG2 4.36Å; F371-I375 HydrophobicContact CD1-CG1 4.24Å; F371-I375 HydrophobicContact CE1-CD1 4.27Å; F371-I375 HydrophobicContact CE1-CG1 3.68Å; F371-I375 HydrophobicContact CE2-CD1 4.07Å; F371-I375 HydrophobicContact CE2-CG1 4.1Å; F371-I375 HydrophobicContact CZ-CD1 3.69Å; F371-I375 HydrophobicContact CZ-CG1 3.6Å; F371-I375 PolarHBondContact O-N 2.79Å; M372-I375 HydrophobicContact CE-CB 3.98Å; M372-I375 HydrophobicContact CE-CG2 3.93Å; M372-I375 HydrophobicContact SD-CB 4.28Å; M372-I375 HydrophobicContact SD-CG1 4.42Å; I375-I379 HydrophobicContact CG2-CD1 4.5Å
376	S	98.3	Very high	96.9	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-70.7	-42	-178.2	63.3	0	0	0	0	112	F282 Y283 M372 E373 F374 I379 T380	F282-S376 VanDerWaalsContact CE1-CB 3.42Å; Y283-S376 WeakPolarHBondContact OH-CB 3.42Å; Y283-S376 PolarHBondContact OH-OG 3.41Å; Y283-S376 VanDerWaalsContact OH-OG 3.06Å; M372-S376 VanDerWaalsContact O-CB 3.22Å; M372-S376 WeakPolarHBondContact O-CB 3.42Å; M372-S376 PolarHBondContact O-N 3.24Å; M372-S376 PolarHBondContact O-OG 2.57Å; E373-S376 PolarHBondContact O-OG 3Å; F374-S376 PolarHBondContact O-N 3.32Å; S376-I379 PolarHBondContact O-N 3.01Å; S376-T380 VanDerWaalsContact O-CB 3.32Å; S376-T380 WeakPolarHBondContact O-CB 3.29Å; S376-T380 WeakPolarHBondContact O-CG2 3.39Å; S376-T380 PolarHBondContact O-N 3.37Å; S376-T380 PolarHBondContact O-OG1 2.86Å
377	L	98.1	Very high	96.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-74.2	-33	-178.6	-88.7	59.8	0	0	0	112.7	L279 L335 T338 K339 A342 E373 F374 I379 Y381 L384 V386	L279-L377 HydrophobicContact CD2-CD1 3.93Å; L335-L377 HydrophobicContact CD1-CD2 4.47Å; T338-L377 HydrophobicContact CG2-CD1 4.08Å; T338-L377 HydrophobicContact CG2-CD2 3.82Å; T338-L377 HydrophobicContact CG2-CG 3.85Å; K339-L377 HydrophobicContact CB-CD2 4.41Å; K339-L377 HydrophobicContact CG-CD2 3.58Å; A342-L377 HydrophobicContact CB-CD1 3.27Å; E373-L377 VanDerWaalsContact O-CB 3.3Å; E373-L377 WeakPolarHBondContact O-CB 3.35Å; E373-L377 WeakPolarHBondContact O-CD1 3.35Å; E373-L377 PolarHBondContact O-N 3.04Å; F374-L377 PolarHBondContact O-N 3.27Å; L377-I379 PolarHBondContact O-N 3.12Å; L377-Y381 CarbonylContact O-C 3.53Å; L377-Y381 VanDerWaalsContact O-CA 3.24Å; L377-Y381 WeakPolarHBondContact O-CA 3.43Å; L377-Y381 PolarHBondContact O-N 3.38Å; L377-L384 HydrophobicContact CD2-CD1 4.3Å; L377-V386 HydrophobicContact CB-CB 4.31Å; L377-V386 HydrophobicContact CB-CG1 3.6Å; L377-V386 HydrophobicContact CB-CG2 3.87Å; L377-V386 HydrophobicContact CD2-CG1 3.72Å; L377-V386 HydrophobicContact CG-CG1 4.27Å
378	D	96.3	Very high	95.6	Very high	71 Å²	71	30 Å²	30	38%	0.38	15%	0.154	S	C	.	.	H	α-helix	trans	-59.7	-36.8	174.4	-175.4	54.7	0	0	0	111.2	F374 P382 V386	F374-D378 VanDerWaalsContact O-CB 3.31Å; F374-D378 WeakPolarHBondContact O-CB 3.21Å; F374-D378 PolarHBondContact O-N 3.41Å; D378-P382 WeakPolarHBondContact O-CB 3.4Å; D378-V386 HydrophobicContact CB-CG2 4.12Å
379	I	96.4	Very high	95.2	Very high	94 Å²	94	31.8 Å²	31.8	48%	0.482	16%	0.162	S	C	.	.	H	α-helix	trans	-83	-44.7	178.9	-63.8	169.9	0	0	0	112.2	F282 I375 S376 L377	F282-I379 HydrophobicContact CD2-CB 4.45Å; F282-I379 HydrophobicContact CD2-CG2 4.04Å; F282-I379 HydrophobicContact CE2-CB 3.93Å; F282-I379 HydrophobicContact CE2-CD1 3.59Å; F282-I379 HydrophobicContact CE2-CG1 4.35Å; F282-I379 HydrophobicContact CE2-CG2 3.79Å; F282-I379 HydrophobicContact CZ-CD1 3.89Å; I375-I379 HydrophobicContact CG2-CD1 4.5Å; S376-I379 PolarHBondContact O-N 3.01Å; L377-I379 PolarHBondContact O-N 3.12Å
380	T	97.6	Very high	95	Very high	9 Å²	9	32.9 Å²	32.9	6%	0.055	17%	0.167	C	C	.	.	H	α-helix	trans	-87.7	-28.4	-172.7	59.3	0	0	0	0	113	K278 L279 F282 S376	K278-T380 WeakPolarHBondContact CE-O 3.35Å; K278-T380 HydrophobicContact CG-CG2 4.39Å; K278-T380 PolarHBondContact NZ-O 3.36Å; L279-T380 HydrophobicContact CD2-CG2 4.32Å; L279-T380 WeakPolarHBondContact CD2-OG1 3.26Å; F282-T380 HydrophobicContact CB-CG2 3.62Å; F282-T380 HydrophobicContact CD2-CG2 3.92Å; F282-T380 HydrophobicContact CG-CG2 3.76Å; S376-T380 VanDerWaalsContact O-CB 3.32Å; S376-T380 WeakPolarHBondContact O-CB 3.29Å; S376-T380 WeakPolarHBondContact O-CG2 3.39Å; S376-T380 PolarHBondContact O-N 3.37Å; S376-T380 PolarHBondContact O-OG1 2.86Å
381	Y	96.7	Very high	94.7	Very high	17 Å²	17	31.7 Å²	31.7	7%	0.067	16%	0.162	C	C	.	.			trans	-136.9	58.4	-177.9	-70.3	-84.5	0	0	0	111.1	A275 K278 L279 T338 L377 E383 L384	A275-Y381 VanDerWaalsContact CA-OH 3.23Å; A275-Y381 WeakPolarHBondContact CA-OH 3.31Å; K278-Y381 HydrophobicContact CD-CE2 3.9Å; L279-Y381 HydrophobicContact CG-CE2 4.49Å; T338-Y381 HydrophobicContact CG2-CD2 3.71Å; T338-Y381 HydrophobicContact CG2-CE2 3.85Å; T338-Y381 HydrophobicContact CG2-CG 4.21Å; L377-Y381 CarbonylContact O-C 3.53Å; L377-Y381 VanDerWaalsContact O-CA 3.24Å; L377-Y381 WeakPolarHBondContact O-CA 3.43Å; L377-Y381 PolarHBondContact O-N 3.38Å; Y381-E383 WeakPolarHBondContact CA-OE2 3.31Å; Y381-E383 WeakPolarHBondContact CD1-OE1 3.2Å; Y381-E383 PolarHBondContact O-N 3.45Å; Y381-L384 HydrophobicContact CD1-CD1 4.43Å; Y381-L384 HydrophobicContact CG-CD1 4.1Å; Y381-L384 WeakPolarHBondContact O-CB 3.35Å; Y381-L384 PolarHBondContact O-N 3.32Å
382	P	95.4	Very high	94.5	Very high	68 Å²	68	32.4 Å²	32.4	44%	0.442	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-58.4	-24.2	-176.5	24.5	-35	0	0	0	113	D378 L384 H385	D378-P382 WeakPolarHBondContact O-CB 3.4Å; P382-L384 PolarHBondContact O-N 2.79Å; P382-H385 PolarHBondContact O-N 2.79Å; P382-H385 PolarHBondContact O-ND1 2.89Å
383	E	92.9	Very high	94.4	Very high	89 Å²	89	34.4 Å²	34.4	42%	0.416	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-68.4	-14.4	175.8	77.7	-80.9	-167.6	0	0	114.3	Y381 H385	Y381-E383 WeakPolarHBondContact CA-OE2 3.31Å; Y381-E383 WeakPolarHBondContact CD1-OE1 3.2Å; Y381-E383 PolarHBondContact O-N 3.45Å; E383-H385 VanDerWaalsContact C-N 3.35Å; E383-H385 PolarHBondContact O-CD2 3.34Å
384	L	93.4	Very high	94.4	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-82.2	-13.8	175.3	-63.9	-177.9	0	0	0	112.8	L335 T338 L377 Y381 P382 V386 V717	L335-L384 HydrophobicContact CD1-CB 4.28Å; L335-L384 HydrophobicContact CD1-CD1 4.29Å; T338-L384 HydrophobicContact CG2-CD1 4.07Å; L377-L384 HydrophobicContact CD2-CD1 4.3Å; Y381-L384 HydrophobicContact CD1-CD1 4.43Å; Y381-L384 HydrophobicContact CG-CD1 4.1Å; Y381-L384 WeakPolarHBondContact O-CB 3.35Å; Y381-L384 PolarHBondContact O-N 3.32Å; P382-L384 PolarHBondContact O-N 2.79Å; L384-V386 VanDerWaalsContact C-N 3.33Å; L384-V386 HydrophobicContact CB-CG1 4.02Å; L384-V386 PolarHBondContact O-N 2.91Å; L384-V717 HydrophobicContact CD2-CG2 3.8Å
385	H	90.9	Very high	94.3	Very high	87 Å²	87	34.6 Å²	34.6	40%	0.403	18%	0.18	S	C	.	.			trans	47.8	50.2	179.1	-62.2	-67.5	0	0	0	113.2	P382 E383 D387 D388 F389	P382-H385 PolarHBondContact O-N 2.79Å; P382-H385 PolarHBondContact O-ND1 2.89Å; E383-H385 VanDerWaalsContact C-N 3.35Å; E383-H385 PolarHBondContact O-CD2 3.34Å; H385-D387 PolarHBondContact O-N 3.11Å; H385-D388 WeakPolarHBondContact O-CB 3.15Å; H385-D388 PolarHBondContact O-N 2.74Å; H385-D388 VanDerWaalsContact O-N 3.08Å; H385-F389 WeakPolarHBondContact O-CD2 3.38Å
386	V	92.6	Very high	94.2	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.012	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-27.4	-172.1	-64	0	0	0	0	114.2	L335 F374 L377 D378 L384 D388 F389 F390	L335-V386 HydrophobicContact CD1-CG1 3.69Å; F374-V386 HydrophobicContact CD1-CB 4.11Å; F374-V386 HydrophobicContact CD1-CG2 4.32Å; F374-V386 WeakPolarHBondContact CD1-O 3.29Å; F374-V386 WeakPolarHBondContact CE1-O 3.43Å; L377-V386 HydrophobicContact CB-CB 4.31Å; L377-V386 HydrophobicContact CB-CG1 3.6Å; L377-V386 HydrophobicContact CB-CG2 3.87Å; L377-V386 HydrophobicContact CD2-CG1 3.72Å; L377-V386 HydrophobicContact CG-CG1 4.27Å; D378-V386 HydrophobicContact CB-CG2 4.12Å; L384-V386 VanDerWaalsContact C-N 3.33Å; L384-V386 HydrophobicContact CB-CG1 4.02Å; L384-V386 PolarHBondContact O-N 2.91Å; V386-D388 PolarHBondContact O-N 3.21Å; V386-F389 PolarHBondContact O-N 3.47Å; V386-F390 PolarHBondContact O-N 3.2Å
387	D	87.1	Confident	94.2	Very high	81 Å²	81	37.8 Å²	37.8	43%	0.433	19%	0.194	S	C	.	.	H	α-helix	trans	-61	-27.3	176.1	-77.7	0.8	0	0	0	113	H385 F389 F390	H385-D387 PolarHBondContact O-N 3.11Å; D387-F389 PolarHBondContact O-N 3.5Å; D387-F389 VanDerWaalsContact O-N 3.1Å; D387-F390 PolarHBondContact O-N 3.09Å
388	D	84.8	Confident	94.2	Very high	47 Å²	47	38 Å²	38	25%	0.251	20%	0.195	S	C	.	.	H	α-helix	trans	-63.4	-14.7	173.6	-70.8	-11.5	0	0	0	112.2	H385 V386 I665 M666 S718	H385-D388 WeakPolarHBondContact O-CB 3.15Å; H385-D388 PolarHBondContact O-N 2.74Å; H385-D388 VanDerWaalsContact O-N 3.08Å; V386-D388 PolarHBondContact O-N 3.21Å; D388-I665 HydrophobicContact CB-CG2 4.19Å; D388-M666 WeakPolarHBondContact O-CG 3.38Å; D388-S718 PolarHBondContact OD2-OG 3.38Å
389	F	90.1	Very high	94.1	Very high	39 Å²	39	39.8 Å²	39.8	17%	0.171	20%	0.201	C	C	.	.	H	α-helix	trans	-116.7	-9	-173.8	-55.5	-83.3	0	0	0	113.7	L335 H385 V386 D387 L391 G392 I665 V721	L335-F389 HydrophobicContact CD2-CD2 4.04Å; L335-F389 HydrophobicContact CD2-CE2 3.95Å; L335-F389 HydrophobicContact CD2-CG 4.44Å; L335-F389 HydrophobicContact CD2-CZ 4.27Å; H385-F389 WeakPolarHBondContact O-CD2 3.38Å; V386-F389 PolarHBondContact O-N 3.47Å; D387-F389 PolarHBondContact O-N 3.5Å; D387-F389 VanDerWaalsContact O-N 3.1Å; F389-L391 VanDerWaalsContact C-N 3.34Å; F389-L391 PolarHBondContact O-N 3.37Å; F389-G392 PolarHBondContact O-N 3.46Å; F389-I665 HydrophobicContact CE1-CD1 3.6Å; F389-I665 HydrophobicContact CZ-CD1 3.87Å; F389-V721 HydrophobicContact CE1-CG1 4.31Å
390	F	94.1	Very high	94	Very high	22 Å²	22	36.5 Å²	36.5	10%	0.096	19%	0.185	C	C	.	.	H	α-helix	trans	-62.4	-43.2	-178.2	-178.3	-102.9	0	0	0	112	F374 V386 D387 G392 K393 A432 N436	F374-F390 HydrophobicContact CB-CD2 4.3Å; F374-F390 HydrophobicContact CD1-CB 3.73Å; F374-F390 AromaticContact CD1-CD2 3.82Å; F374-F390 HydrophobicContact CD1-CD2 3.82Å; F374-F390 HydrophobicContact CD1-CG 4.26Å; F374-F390 AromaticContact CD2-CD2 3.51Å; F374-F390 HydrophobicContact CD2-CD2 3.51Å; F374-F390 HydrophobicContact CD2-CE2 4.02Å; F374-F390 HydrophobicContact CE1-CB 3.64Å; F374-F390 AromaticContact CE1-CD2 3.92Å; F374-F390 HydrophobicContact CE1-CD2 3.92Å; F374-F390 HydrophobicContact CE1-CG 4.31Å; F374-F390 AromaticContact CE2-CD2 3.62Å; F374-F390 HydrophobicContact CE2-CD2 3.62Å; F374-F390 HydrophobicContact CE2-CE2 4.21Å; F374-F390 HydrophobicContact CG-CB 4.36Å; F374-F390 AromaticContact CG-CD2 3.6Å; F374-F390 HydrophobicContact CG-CD2 3.6Å; F374-F390 HydrophobicContact CG-CE2 4.4Å; F374-F390 HydrophobicContact CG-CG 4.42Å; F374-F390 HydrophobicContact CZ-CB 4.19Å; F374-F390 AromaticContact CZ-CD2 3.8Å; F374-F390 HydrophobicContact CZ-CD2 3.8Å; F374-F390 HydrophobicContact CZ-CG 4.49Å; V386-F390 PolarHBondContact O-N 3.2Å; D387-F390 PolarHBondContact O-N 3.09Å; F390-G392 PolarHBondContact O-N 2.85Å; F390-K393 WeakPolarHBondContact O-CB 3.3Å; F390-K393 PolarHBondContact O-N 3.26Å; F390-A432 HydrophobicContact CE2-CB 4.36Å; F390-N436 HydrophobicContact CE1-CB 3.66Å; F390-N436 HydrophobicContact CZ-CB 3.5Å; F390-N436 VanDerWaalsContact CZ-CB 3.5Å
391	L	93.4	Very high	94	Very high	4 Å²	4	36 Å²	36	2%	0.021	18%	0.183	C	C	.	.	H	α-helix	trans	-56.4	-36.2	-177.7	178.6	53.5	0	0	0	113.2	F389 K393 C394 F395 M599 N629 A632 M666	F389-L391 VanDerWaalsContact C-N 3.34Å; F389-L391 PolarHBondContact O-N 3.37Å; L391-K393 PolarHBondContact O-N 2.93Å; L391-C394 PolarHBondContact O-N 2.97Å; L391-C394 VanDerWaalsContact O-N 3.11Å; L391-F395 HydrophobicContact CD1-CD1 4.18Å; L391-F395 HydrophobicContact CD1-CD2 4.4Å; L391-F395 HydrophobicContact CD1-CE1 3.54Å; L391-F395 HydrophobicContact CD1-CE2 3.83Å; L391-F395 HydrophobicContact CD1-CZ 3.35Å; L391-F395 HydrophobicContact CD2-CE2 3.8Å; L391-F395 HydrophobicContact CD2-CZ 3.71Å; L391-F395 HydrophobicContact CG-CD2 4.11Å; L391-F395 HydrophobicContact CG-CE1 4.16Å; L391-F395 HydrophobicContact CG-CE2 3.47Å; L391-F395 VanDerWaalsContact CG-CE2 3.47Å; L391-F395 HydrophobicContact CG-CZ 3.5Å; L391-F395 VanDerWaalsContact CG-CZ 3.5Å; L391-F395 PolarHBondContact O-N 3.27Å; L391-M599 HydrophobicContact CD1-CB 3.41Å; L391-M599 VanDerWaalsContact CD1-CB 3.41Å; L391-M599 HydrophobicContact CD1-CG 3.36Å; L391-M599 HydrophobicContact CD2-CB 4.39Å; L391-N629 HydrophobicContact CD2-CB 3.94Å; L391-A632 HydrophobicContact CD2-CB 3.81Å; L391-M666 HydrophobicContact CB-CG 4.45Å; L391-M666 HydrophobicContact CB-SD 4.47Å; L391-M666 HydrophobicContact CD2-CG 4.26Å; L391-M666 HydrophobicContact CD2-SD 4.34Å; L391-M666 HydrophobicContact CG-SD 4.47Å
392	G	93.4	Very high	94	Very high	16 Å²	16	35.2 Å²	35.2	17%	0.165	18%	0.18	C	C	.	.	H	α-helix	trans	-56.6	-34.8	176.7	0	0	0	0	0	112.6	F389 F390 F395 E396	F389-G392 PolarHBondContact O-N 3.46Å; F390-G392 PolarHBondContact O-N 2.85Å; G392-F395 PolarHBondContact O-N 3.34Å; G392-E396 WeakPolarHBondContact O-CG 3.45Å; G392-E396 PolarHBondContact O-N 3.04Å
393	K	96.6	Very high	93.9	Very high	45 Å²	45	32.5 Å²	32.5	20%	0.196	16%	0.161	C	C	.	.	H	α-helix	trans	-66.1	-40.6	177.4	-63.2	-44.9	-156.2	159.9	0	112.9	F374 F390 L391 F395 E396 A397 D429	F374-K393 HydrophobicContact CE2-CG 4.5Å; F374-K393 HydrophobicContact CZ-CG 4.15Å; F390-K393 WeakPolarHBondContact O-CB 3.3Å; F390-K393 PolarHBondContact O-N 3.26Å; L391-K393 PolarHBondContact O-N 2.93Å; K393-F395 VanDerWaalsContact C-N 3.31Å; K393-F395 PolarHBondContact O-N 3.17Å; K393-E396 WeakPolarHBondContact CD-OE2 3.32Å; K393-E396 IonicContact NZ-OE2 3.38Å; K393-E396 PolarHBondContact NZ-OE2 3.36Å; K393-E396 PolarHBondContact O-N 3.09Å; K393-A397 WeakPolarHBondContact O-CB 3.34Å; K393-A397 PolarHBondContact O-N 2.97Å; K393-D429 HydrophobicContact CB-CB 4.12Å; K393-D429 IonicContact NZ-OD1 3.98Å; K393-D429 IonicContact NZ-OD2 3.88Å; K393-D429 PolarHBondContact NZ-OD2 3.38Å; K393-D429 WeakPolarHBondContact O-CB 3.25Å
394	C	98	Very high	93.9	Very high	5 Å²	5	30.7 Å²	30.7	3%	0.034	16%	0.159	C	C	.	.	H	α-helix	trans	-66.6	-36	176.7	-53.4	0	0	0	0	111.9	L391 M398 C433 Y602	L391-C394 PolarHBondContact O-N 2.97Å; L391-C394 VanDerWaalsContact O-N 3.11Å; C394-M398 WeakPolarHBondContact O-CB 3.42Å; C394-M398 WeakPolarHBondContact O-CG 3.44Å; C394-M398 PolarHBondContact O-N 2.94Å; C394-C433 WeakPolarHBondContact CA-SG 3.49Å; C394-C433 HydrophobicContact CB-CB 4.04Å; C394-C433 WeakPolarHBondContact CB-SG 3.31Å; C394-C433 PolarHBondContact N-SG 3.45Å; C394-C433 VanDerWaalsContact N-SG 3.41Å; C394-C433 WeakPolarHBondContact SG-CB 3.47Å; C394-C433 CovalentContact SG-SG 2.04Å; C394-C433 PolarHBondContact SG-SG 3.24Å; C394-Y602 HydrophobicContact CB-CD2 4.31Å; C394-Y602 HydrophobicContact CB-CE2 4.33Å
395	F	96.9	Very high	93.9	Very high	10 Å²	10	31.3 Å²	31.3	4%	0.044	16%	0.163	C	C	.	.	H	α-helix	trans	-70.1	-41.5	175.8	-62.1	-25.3	0	0	0	112.9	L391 G392 K393 M398 E399 M599 A632 Q636 Q670	L391-F395 HydrophobicContact CD1-CD1 4.18Å; L391-F395 HydrophobicContact CD1-CD2 4.4Å; L391-F395 HydrophobicContact CD1-CE1 3.54Å; L391-F395 HydrophobicContact CD1-CE2 3.83Å; L391-F395 HydrophobicContact CD1-CZ 3.35Å; L391-F395 HydrophobicContact CD2-CE2 3.8Å; L391-F395 HydrophobicContact CD2-CZ 3.71Å; L391-F395 HydrophobicContact CG-CD2 4.11Å; L391-F395 HydrophobicContact CG-CE1 4.16Å; L391-F395 HydrophobicContact CG-CE2 3.47Å; L391-F395 VanDerWaalsContact CG-CE2 3.47Å; L391-F395 HydrophobicContact CG-CZ 3.5Å; L391-F395 VanDerWaalsContact CG-CZ 3.5Å; L391-F395 PolarHBondContact O-N 3.27Å; G392-F395 PolarHBondContact O-N 3.34Å; K393-F395 VanDerWaalsContact C-N 3.31Å; K393-F395 PolarHBondContact O-N 3.17Å; F395-M398 HydrophobicContact CD1-SD 4.49Å; F395-M398 PolarHBondContact O-N 3.05Å; F395-E399 PolarHBondContact O-N 2.94Å; F395-M599 HydrophobicContact CE1-CE 4.11Å; F395-M599 HydrophobicContact CE1-CG 4.24Å; F395-M599 HydrophobicContact CE1-SD 4.17Å; F395-A632 HydrophobicContact CE2-CB 4.42Å; F395-Q636 HydrophobicContact CD1-CB 4.26Å; F395-Q636 HydrophobicContact CD1-CG 3.66Å; F395-Q636 HydrophobicContact CE1-CB 3.85Å; F395-Q636 HydrophobicContact CE1-CG 3.67Å; F395-Q636 HydrophobicContact CE2-CB 4.13Å; F395-Q636 HydrophobicContact CG-CG 4.1Å; F395-Q636 HydrophobicContact CZ-CB 3.77Å; F395-Q636 HydrophobicContact CZ-CG 4.11Å; F395-Q670 HydrophobicContact CE2-CG 4.23Å; F395-Q670 VanDerWaalsContact CE2-OE1 3.24Å
396	E	95.6	Very high	94.2	Very high	87 Å²	87	27.9 Å²	27.9	41%	0.407	15%	0.148	S	C	.	.	H	α-helix	trans	-56.7	-49.3	172.9	-74.2	170	179.4	0	0	110.5	G392 K393 M398 E399	G392-E396 WeakPolarHBondContact O-CG 3.45Å; G392-E396 PolarHBondContact O-N 3.04Å; K393-E396 WeakPolarHBondContact CD-OE2 3.32Å; K393-E396 IonicContact NZ-OE2 3.38Å; K393-E396 PolarHBondContact NZ-OE2 3.36Å; K393-E396 PolarHBondContact O-N 3.09Å; E396-M398 PolarHBondContact O-N 3.34Å; E396-E399 WeakPolarHBondContact O-CB 3.48Å; E396-E399 PolarHBondContact O-N 3.43Å
397	A	98.1	Very high	94.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.6	-41	176.1	0	0	0	0	0	112.9	K393 E399 V400 D401 D429 K430 Y602	K393-A397 WeakPolarHBondContact O-CB 3.34Å; K393-A397 PolarHBondContact O-N 2.97Å; A397-E399 PolarHBondContact O-N 2.81Å; A397-V400 PolarHBondContact O-N 2.86Å; A397-D401 WeakPolarHBondContact O-CB 3.17Å; A397-D401 PolarHBondContact O-N 3.06Å; A397-D429 HydrophobicContact CB-CB 3.91Å; A397-K430 HydrophobicContact CB-CB 4.02Å; A397-Y602 HydrophobicContact CB-CE2 4.19Å; A397-Y602 WeakPolarHBondContact CB-OH 3.43Å
398	M	98.1	Very high	95	Very high	3 Å²	3	25.2 Å²	25.2	2%	0.015	14%	0.135	C	C	.	.	H	α-helix	trans	-64	-27.6	177.9	-78.2	-180	175.2	0	0	112.9	C394 F395 E396 S402 F525 M599 Y602 M604	C394-M398 WeakPolarHBondContact O-CB 3.42Å; C394-M398 WeakPolarHBondContact O-CG 3.44Å; C394-M398 PolarHBondContact O-N 2.94Å; F395-M398 HydrophobicContact CD1-SD 4.49Å; F395-M398 PolarHBondContact O-N 3.05Å; E396-M398 PolarHBondContact O-N 3.34Å; M398-S402 WeakPolarHBondContact O-CB 3.37Å; M398-S402 PolarHBondContact O-N 2.78Å; M398-S402 PolarHBondContact O-OG 2.99Å; M398-F525 HydrophobicContact CB-CD1 4.46Å; M398-F525 HydrophobicContact CB-CE1 3.71Å; M398-F525 HydrophobicContact CB-CZ 3.83Å; M398-F525 HydrophobicContact CE-CD2 4.19Å; M398-F525 HydrophobicContact CE-CE2 4.41Å; M398-F525 HydrophobicContact CE-CG 4.42Å; M398-F525 HydrophobicContact CG-CD1 3.97Å; M398-F525 HydrophobicContact CG-CE1 3.65Å; M398-F525 HydrophobicContact CG-CE2 4.24Å; M398-F525 HydrophobicContact CG-CG 4.39Å; M398-F525 HydrophobicContact CG-CZ 3.77Å; M398-F525 WeakPolarHBondContact O-CE1 3.07Å; M398-F525 HydrophobicContact SD-CE2 4.21Å; M398-F525 HydrophobicContact SD-CZ 4.22Å; M398-M599 HydrophobicContact CE-CE 3.33Å; M398-M599 HydrophobicContact SD-CE 3.76Å; M398-Y602 HydrophobicContact CE-CD1 4.42Å; M398-Y602 HydrophobicContact CE-CD2 3.76Å; M398-Y602 HydrophobicContact CE-CE2 3.95Å; M398-Y602 HydrophobicContact CE-CG 4.03Å; M398-Y602 HydrophobicContact CG-CE2 3.85Å; M398-Y602 PolarHBondContact N-OH 2.95Å; M398-M604 HydrophobicContact SD-CG 4.21Å
399	E	94.8	Very high	95.6	Very high	109 Å²	109	23 Å²	23	51%	0.509	12%	0.123	S	C	.	.	H	α-helix	trans	-61.9	-50.8	177.4	-167.8	173.5	-170	0	0	110.5	F395 E396 A397 S402	F395-E399 PolarHBondContact O-N 2.94Å; E396-E399 WeakPolarHBondContact O-CB 3.48Å; E396-E399 PolarHBondContact O-N 3.43Å; A397-E399 PolarHBondContact O-N 2.81Å; E399-S402 PolarHBondContact O-OG 2.91Å
400	V	94.5	Very high	96	Very high	25 Å²	25	22 Å²	22	15%	0.152	12%	0.121	C	C	.	.	H	α-helix	trans	-72.5	-40.2	177	-179.7	0	0	0	0	111.6	A397 S402 L403 Q906	A397-V400 PolarHBondContact O-N 2.86Å; V400-S402 PolarHBondContact O-N 2.86Å; V400-L403 VanDerWaalsContact O-CB 3.3Å; V400-L403 WeakPolarHBondContact O-CB 3.44Å; V400-L403 PolarHBondContact O-N 3.27Å; V400-L403 VanDerWaalsContact O-N 3.09Å; V400-Q906 VanDerWaalsContact CG1-NE2 3.35Å
401	D	97.3	Very high	96.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-73.8	-12.6	-175	-158	37.3	0	0	0	113.6	A397 L403 S406 K430 G524 F525	A397-D401 WeakPolarHBondContact O-CB 3.17Å; A397-D401 PolarHBondContact O-N 3.06Å; D401-L403 VanDerWaalsContact C-N 3.28Å; D401-S406 WeakPolarHBondContact CA-OG 3.38Å; D401-S406 PolarHBondContact OD1-OG 3.09Å; D401-K430 IonicContact OD1-NZ 3.59Å; D401-K430 PolarHBondContact OD1-NZ 3.36Å; D401-K430 WeakPolarHBondContact OD2-CD 3.44Å; D401-K430 WeakPolarHBondContact OD2-CE 3.32Å; D401-K430 IonicContact OD2-NZ 3.59Å; D401-K430 PolarHBondContact OD2-NZ 2.94Å; D401-G524 WeakPolarHBondContact O-CA 3.23Å; D401-G524 VanDerWaalsContact OD1-CA 3.31Å; D401-G524 WeakPolarHBondContact OD1-CA 3.31Å; D401-G524 PolarHBondContact OD1-N 3.26Å; D401-G524 WeakPolarHBondContact OD2-CA 3.23Å; D401-G524 PolarHBondContact OD2-N 3.33Å; D401-G524 VanDerWaalsContact OD2-O 3.14Å; D401-F525 HydrophobicContact CB-CD1 4.09Å; D401-F525 HydrophobicContact CB-CE1 4.29Å
402	S	96.1	Very high	96.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	1.4	170.5	72	0	0	0	0	114.4	M398 E399 V400 L545 R546	M398-S402 WeakPolarHBondContact O-CB 3.37Å; M398-S402 PolarHBondContact O-N 2.78Å; M398-S402 PolarHBondContact O-OG 2.99Å; E399-S402 PolarHBondContact O-OG 2.91Å; V400-S402 PolarHBondContact O-N 2.86Å; S402-L545 WeakPolarHBondContact O-CD1 3.31Å; S402-R546 PolarHBondContact O-N 3.34Å; S402-R546 WeakPolarHBondContact OG-CD 3.49Å
403	L	94.3	Very high	96.6	Very high	10 Å²	10	27.5 Å²	27.5	5%	0.052	16%	0.155	C	C	.	.	S	Bend	trans	-94.8	152.3	175.6	-59.6	179.7	0	0	0	111.3	V400 D401 S405 S406 Q906 E909	V400-L403 VanDerWaalsContact O-CB 3.3Å; V400-L403 WeakPolarHBondContact O-CB 3.44Å; V400-L403 PolarHBondContact O-N 3.27Å; V400-L403 VanDerWaalsContact O-N 3.09Å; D401-L403 VanDerWaalsContact C-N 3.28Å; L403-S405 PolarHBondContact O-N 2.87Å; L403-S406 WeakPolarHBondContact O-CB 3.29Å; L403-S406 PolarHBondContact O-N 3.45Å; L403-Q906 HydrophobicContact CD1-CB 4.13Å; L403-Q906 HydrophobicContact CD1-CG 4.17Å; L403-E909 WeakPolarHBondContact CB-OE2 2.86Å; L403-E909 HydrophobicContact CD2-CB 4.3Å
404	S	92.9	Very high	96.5	Very high	52 Å²	52	30.1 Å²	30.1	36%	0.364	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-21.4	174.6	44	0	0	0	0	112.6	S406 E909	S404-S406 VanDerWaalsContact C-N 3.31Å; S404-E909 PolarHBondContact N-OE2 3.24Å; S404-E909 PolarHBondContact OG-OE1 3.25Å; S404-E909 PolarHBondContact OG-OE2 3.22Å; S404-E909 VanDerWaalsContact OG-OE2 3.11Å
405	S	93.6	Very high	96.4	Very high	14 Å²	14	31.4 Å²	31.4	10%	0.098	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	5.9	175.6	54.2	0	0	0	0	115.3	L403 R902 Q906 E909	L403-S405 PolarHBondContact O-N 2.87Å; S405-R902 WeakPolarHBondContact O-CG 3.46Å; S405-Q906 WeakPolarHBondContact OG-CA 3.46Å; S405-Q906 VanDerWaalsContact OG-CG 3.24Å; S405-Q906 WeakPolarHBondContact OG-CG 3.3Å; S405-E909 WeakPolarHBondContact CB-OE1 3.4Å; S405-E909 VanDerWaalsContact CB-OE2 3.28Å; S405-E909 WeakPolarHBondContact CB-OE2 3.48Å; S405-E909 PolarHBondContact N-OE1 3.37Å; S405-E909 PolarHBondContact N-OE2 3.37Å; S405-E909 VanDerWaalsContact OG-CD 3.26Å; S405-E909 PolarHBondContact OG-OE2 3.2Å
406	S	95.9	Very high	96.3	Very high	14 Å²	14	32.9 Å²	32.9	10%	0.098	19%	0.186	C	C	.	.			trans	-64.4	-179.8	166.2	-167.2	0	0	0	0	111.3	D401 L403 S404	D401-S406 WeakPolarHBondContact CA-OG 3.38Å; D401-S406 PolarHBondContact OD1-OG 3.09Å; L403-S406 WeakPolarHBondContact O-CB 3.29Å; L403-S406 PolarHBondContact O-N 3.45Å; S404-S406 VanDerWaalsContact C-N 3.31Å
407	H	97.5	Very high	96.3	Very high	9 Å²	9	30.9 Å²	30.9	4%	0.042	18%	0.179	C	C	.	.			trans	-144.9	161.1	175.3	63.5	95.9	0	0	0	110.8	T411 D424 V426 E523 R902	H407-T411 HydrophobicContact CB-CG2 4.14Å; H407-T411 WeakPolarHBondContact ND1-CG2 3.2Å; H407-D424 IonicContact CD2-OD2 3.34Å; H407-D424 IonicContact CE1-OD1 3.26Å; H407-D424 IonicContact CE1-OD2 3.45Å; H407-D424 IonicContact NE2-OD1 2.79Å; H407-D424 IonicContact NE2-OD2 2.79Å; H407-D424 PolarHBondContact NE2-OD2 3.01Å; H407-V426 WeakPolarHBondContact NE2-CB 3.25Å; H407-E523 VanDerWaalsContact C-CB 3.44Å; H407-R902 PolarHBondContact CD2-NH1 3.3Å; H407-R902 PolarHBondContact NE2-NH1 2.78Å
408	P	98.5	Very high	96.2	Very high	19 Å²	19	34.4 Å²	34.4	12%	0.123	20%	0.196	C	C	.	.			trans	-59.9	148.1	168.9	-22.3	33.3	0	0	0	111.3	S410 T520 E523	P408-S410 PolarHBondContact O-N 3.01Å; P408-S410 VanDerWaalsContact O-N 3.14Å; P408-T520 WeakPolarHBondContact CB-O 3.24Å; P408-E523 HydrophobicContact CG-CB 4.35Å
409	V	98.5	Very high	96.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.195	C	C	.	.	S	Bend	trans	-52.8	-38.5	177.5	178.5	0	0	0	0	111.4	W363 V426 K430 I434 T520	W363-V409 HydrophobicContact CB-CG1 3.52Å; W363-V409 HydrophobicContact CD2-CG1 3.57Å; W363-V409 HydrophobicContact CE3-CG1 4.08Å; W363-V409 HydrophobicContact CG-CG1 3.28Å; V409-V426 HydrophobicContact CG2-CG1 4.09Å; V409-K430 HydrophobicContact CG2-CD 3.61Å; V409-K430 HydrophobicContact CG2-CG 3.82Å; V409-I434 HydrophobicContact CG2-CD1 4.32Å; V409-T520 HydrophobicContact CB-CG2 4.41Å; V409-T520 PolarHBondContact N-O 3.24Å
410	S	98.4	Very high	96.4	Very high	17 Å²	17	30.3 Å²	30.3	12%	0.119	18%	0.177	C	C	.	.	S	Bend	trans	-108.7	111	169.5	152.5	0	0	0	0	110.4	N360 D361 P408 N465 T520	N360-S410 VanDerWaalsContact O-CA 3.32Å; N360-S410 WeakPolarHBondContact O-CA 3.49Å; D361-S410 WeakPolarHBondContact OD1-CB 3.45Å; D361-S410 PolarHBondContact OD1-OG 2.79Å; P408-S410 PolarHBondContact O-N 3.01Å; P408-S410 VanDerWaalsContact O-N 3.14Å; S410-N465 WeakPolarHBondContact CB-ND2 3.32Å; S410-N465 PolarHBondContact OG-ND2 3.47Å; S410-T520 PolarHBondContact N-O 3.37Å
411	T	97.8	Very high	96.6	Very high	25 Å²	25	30.1 Å²	30.1	15%	0.153	17%	0.174	C	C	.	.			trans	-138.3	143.6	-178.3	-168.4	0	0	0	0	112.1	N360 H407 V413 M422	N360-T411 VanDerWaalsContact CA-O 3.25Å; N360-T411 WeakPolarHBondContact CA-O 3.21Å; N360-T411 WeakPolarHBondContact CB-O 3.45Å; N360-T411 PolarHBondContact O-N 3.42Å; H407-T411 HydrophobicContact CB-CG2 4.14Å; H407-T411 WeakPolarHBondContact ND1-CG2 3.2Å; T411-V413 PolarHBondContact O-N 2.91Å; T411-M422 HydrophobicContact CG2-CE 3.91Å; T411-M422 HydrophobicContact CG2-SD 3.53Å; T411-M422 VanDerWaalsContact CG2-SD 3.53Å
412	P	97.9	Very high	96.6	Very high	119 Å²	119	30.1 Å²	30.1	77%	0.773	17%	0.174	S	C	*	.			trans	-61.6	133.2	179.5	-22.5	33.7	0	0	0	113.1
413	V	97.5	Very high	96.7	Very high	14 Å²	14	31.3 Å²	31.3	9%	0.085	18%	0.179	C	C	.	.			trans	-136.5	150.2	171.7	-65.5	0	0	0	0	109.8	W358 W359 T411 Q418 I419 M422	W358-V413 PolarHBondContact NE1-O 2.85Å; W359-V413 HydrophobicContact CB-CG2 3.84Å; T411-V413 PolarHBondContact O-N 2.91Å; V413-Q418 HydrophobicContact CB-CB 3.93Å; V413-Q418 HydrophobicContact CG1-CB 4.02Å; V413-I419 HydrophobicContact CB-CG1 4.35Å; V413-I419 HydrophobicContact CG2-CG1 3.91Å; V413-M422 HydrophobicContact CB-CG 4.49Å; V413-M422 HydrophobicContact CG1-CG 3.68Å; V413-M422 HydrophobicContact CG1-SD 3.69Å; V413-M422 HydrophobicContact CG2-CG 4.12Å
414	E	95.3	Very high	96.8	Very high	101 Å²	101	32 Å²	32	47%	0.472	18%	0.183	S	C	.	.			trans	-130.2	-55.7	-177.7	-172.3	172.5	-164.9	0	0	112.7	M46	M46-E414 HydrophobicContact CB-CG 4.07Å; M46-E414 HydrophobicContact SD-CG 4.13Å
415	N	94.6	Very high	97	Very high	32 Å²	32	32.6 Å²	32.6	17%	0.171	18%	0.182	C	C	.	.	S	Bend	trans	-85.9	160.3	-174.9	72.9	56.9	0	0	0	112.5	M46 T417 Q418 I419	M46-N415 HydrophobicContact CE-CB 4.19Å; M46-N415 HydrophobicContact SD-CB 3.8Å; N415-T417 VanDerWaalsContact C-N 3.28Å; N415-T417 PolarHBondContact O-N 2.85Å; N415-T417 VanDerWaalsContact OD1-CB 3.32Å; N415-T417 WeakPolarHBondContact OD1-CB 3.4Å; N415-T417 PolarHBondContact OD1-N 3.46Å; N415-Q418 PolarHBondContact ND2-NE2 3.49Å; N415-Q418 PolarHBondContact ND2-OE1 3.35Å; N415-Q418 PolarHBondContact O-N 3.48Å; N415-Q418 VanDerWaalsContact O-N 3.14Å; N415-Q418 PolarHBondContact OD1-N 3.1Å; N415-I419 WeakPolarHBondContact O-CG1 2.8Å; N415-I419 PolarHBondContact O-N 3.36Å
416	P	95.3	Very high	97.3	Very high	41 Å²	41	32 Å²	32	27%	0.266	18%	0.178	S	C	.	.	H	α-helix	trans	-55.6	-36	-178	-29.7	37.4	0	0	0	115.1	I419 Q420	P416-I419 PolarHBondContact O-N 2.7Å; P416-Q420 VanDerWaalsContact O-CG 3.27Å; P416-Q420 WeakPolarHBondContact O-CG 3.33Å; P416-Q420 PolarHBondContact O-N 3.23Å
417	T	95.7	Very high	97.4	Very high	45 Å²	45	31.3 Å²	31.3	28%	0.276	17%	0.173	S	C	.	.	H	α-helix	trans	-63.7	-49.2	177.1	-56.9	0	0	0	0	110.7	N415 I419 Q420 E421 L861 M901	N415-T417 VanDerWaalsContact C-N 3.28Å; N415-T417 PolarHBondContact O-N 2.85Å; N415-T417 VanDerWaalsContact OD1-CB 3.32Å; N415-T417 WeakPolarHBondContact OD1-CB 3.4Å; N415-T417 PolarHBondContact OD1-N 3.46Å; T417-I419 VanDerWaalsContact C-N 3.3Å; T417-I419 PolarHBondContact O-N 3.25Å; T417-Q420 WeakPolarHBondContact O-CB 3.37Å; T417-Q420 PolarHBondContact O-N 3.16Å; T417-E421 WeakPolarHBondContact O-CG 3.46Å; T417-E421 PolarHBondContact O-N 2.93Å; T417-L861 HydrophobicContact CG2-CB 3.84Å; T417-M901 HydrophobicContact CG2-CG 4.44Å
418	Q	96.9	Very high	97.5	Very high	73 Å²	73	33.3 Å²	33.3	34%	0.341	18%	0.181	S	C	.	.	H	α-helix	trans	-62.4	-38	177.2	-68.6	169	-20.2	0	0	112	V413 N415 E421 M422	V413-Q418 HydrophobicContact CB-CB 3.93Å; V413-Q418 HydrophobicContact CG1-CB 4.02Å; N415-Q418 PolarHBondContact ND2-NE2 3.49Å; N415-Q418 PolarHBondContact ND2-OE1 3.35Å; N415-Q418 PolarHBondContact O-N 3.48Å; N415-Q418 VanDerWaalsContact O-N 3.14Å; N415-Q418 PolarHBondContact OD1-N 3.1Å; Q418-E421 PolarHBondContact O-N 3.4Å; Q418-M422 PolarHBondContact O-N 2.92Å
419	I	98.4	Very high	97.5	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.01	18%	0.175	C	C	.	.	H	α-helix	trans	-63.3	-44.1	175.3	-67.8	163.8	0	0	0	110.3	A174 T175 W358 W359 V413 N415 P416 T417 E421 M422 F423	A174-I419 HydrophobicContact CB-CG2 3.38Å; T175-I419 HydrophobicContact CG2-CD1 3.93Å; W358-I419 HydrophobicContact CH2-CD1 3.83Å; W358-I419 HydrophobicContact CZ2-CD1 3.74Å; W358-I419 HydrophobicContact CZ2-CG1 4.35Å; W359-I419 HydrophobicContact CB-CB 4.44Å; W359-I419 HydrophobicContact CB-CG1 4.04Å; W359-I419 HydrophobicContact CB-CG2 3.84Å; W359-I419 HydrophobicContact CD2-CG2 3.66Å; W359-I419 HydrophobicContact CE3-CG2 4.14Å; W359-I419 HydrophobicContact CG-CB 4.37Å; W359-I419 HydrophobicContact CG-CD1 4.27Å; W359-I419 HydrophobicContact CG-CG1 4.04Å; W359-I419 HydrophobicContact CG-CG2 3.47Å; W359-I419 VanDerWaalsContact CG-CG2 3.47Å; V413-I419 HydrophobicContact CB-CG1 4.35Å; V413-I419 HydrophobicContact CG2-CG1 3.91Å; N415-I419 WeakPolarHBondContact O-CG1 2.8Å; N415-I419 PolarHBondContact O-N 3.36Å; P416-I419 PolarHBondContact O-N 2.7Å; T417-I419 VanDerWaalsContact C-N 3.3Å; T417-I419 PolarHBondContact O-N 3.25Å; I419-E421 VanDerWaalsContact C-N 3.27Å; I419-E421 PolarHBondContact O-N 3.45Å; I419-M422 WeakPolarHBondContact O-CB 3.48Å; I419-M422 PolarHBondContact O-N 2.81Å; I419-M422 VanDerWaalsContact O-N 3.11Å; I419-F423 HydrophobicContact CG2-CE2 4.43Å; I419-F423 WeakPolarHBondContact O-CD2 3.17Å
420	Q	97.7	Very high	97.5	Very high	25 Å²	25	32.5 Å²	32.5	12%	0.117	18%	0.175	C	C	.	.	H	α-helix	trans	-62.3	-34.8	175.7	-72.5	-68.3	-55	0	0	112.2	P416 T417 M422 F423 G862	P416-Q420 VanDerWaalsContact O-CG 3.27Å; P416-Q420 WeakPolarHBondContact O-CG 3.33Å; P416-Q420 PolarHBondContact O-N 3.23Å; T417-Q420 WeakPolarHBondContact O-CB 3.37Å; T417-Q420 PolarHBondContact O-N 3.16Å; Q420-M422 PolarHBondContact O-N 3.08Å; Q420-F423 WeakPolarHBondContact O-CB 3.34Å; Q420-F423 PolarHBondContact O-N 3.45Å; Q420-F423 VanDerWaalsContact O-N 3.09Å; Q420-G862 CarbonylContact C-O 3.51Å; Q420-G862 VanDerWaalsContact C-O 3.25Å
421	E	97.7	Very high	97.5	Very high	21 Å²	21	31.7 Å²	31.7	10%	0.098	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-11.3	175.4	-69.9	-178.4	149.2	0	0	114.1	T417 Q418 I419 F423 G862 M901 R902	T417-E421 WeakPolarHBondContact O-CG 3.46Å; T417-E421 PolarHBondContact O-N 2.93Å; Q418-E421 PolarHBondContact O-N 3.4Å; I419-E421 VanDerWaalsContact C-N 3.27Å; I419-E421 PolarHBondContact O-N 3.45Å; E421-F423 VanDerWaalsContact C-N 3.27Å; E421-G862 PolarHBondContact N-O 2.76Å; E421-M901 WeakPolarHBondContact OE1-CA 3.45Å; E421-M901 WeakPolarHBondContact OE1-CB 3.03Å; E421-R902 PolarHBondContact O-NH1 2.91Å; E421-R902 PolarHBondContact OE1-N 3.27Å
422	M	98.3	Very high	97.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-16.8	171.4	-65.1	-61.7	-63.8	0	0	112.4	L362 T411 V413 Q418 I419 Q420 D424 S427	L362-M422 HydrophobicContact CB-CB 4.41Å; L362-M422 HydrophobicContact CD2-CB 3.71Å; T411-M422 HydrophobicContact CG2-CE 3.91Å; T411-M422 HydrophobicContact CG2-SD 3.53Å; T411-M422 VanDerWaalsContact CG2-SD 3.53Å; V413-M422 HydrophobicContact CB-CG 4.49Å; V413-M422 HydrophobicContact CG1-CG 3.68Å; V413-M422 HydrophobicContact CG1-SD 3.69Å; V413-M422 HydrophobicContact CG2-CG 4.12Å; Q418-M422 PolarHBondContact O-N 2.92Å; I419-M422 WeakPolarHBondContact O-CB 3.48Å; I419-M422 PolarHBondContact O-N 2.81Å; I419-M422 VanDerWaalsContact O-N 3.11Å; Q420-M422 PolarHBondContact O-N 3.08Å; M422-D424 PolarHBondContact O-N 3.19Å; M422-S427 WeakPolarHBondContact O-CB 3.3Å; M422-S427 PolarHBondContact O-OG 2.94Å
423	F	97.6	Very high	97.6	Very high	24 Å²	24	25 Å²	25	11%	0.105	13%	0.127	C	C	.	.	S	Bend	trans	-83.1	63.9	177.5	-65.1	-98.7	0	0	0	110.5	E173 A174 W359 L362 I419 Q420 E421 Y428	E173-F423 HydrophobicContact CG-CE1 4.11Å; E173-F423 HydrophobicContact CG-CZ 3.75Å; A174-F423 HydrophobicContact CB-CE2 3.93Å; A174-F423 HydrophobicContact CB-CZ 4.12Å; W359-F423 HydrophobicContact CE3-CE2 4.39Å; W359-F423 HydrophobicContact CE3-CZ 4.18Å; W359-F423 HydrophobicContact CZ3-CE2 4.47Å; W359-F423 AromaticContact CZ3-CZ 3.86Å; W359-F423 HydrophobicContact CZ3-CZ 3.86Å; L362-F423 HydrophobicContact CD1-CE1 3.96Å; L362-F423 HydrophobicContact CD1-CZ 3.9Å; L362-F423 HydrophobicContact CD2-CD1 3.79Å; L362-F423 HydrophobicContact CD2-CD2 3.69Å; L362-F423 HydrophobicContact CD2-CE1 3.73Å; L362-F423 HydrophobicContact CD2-CE2 3.63Å; L362-F423 HydrophobicContact CD2-CG 3.77Å; L362-F423 HydrophobicContact CD2-CZ 3.65Å; L362-F423 HydrophobicContact CG-CE1 4.47Å; L362-F423 HydrophobicContact CG-CZ 4.45Å; I419-F423 HydrophobicContact CG2-CE2 4.43Å; I419-F423 WeakPolarHBondContact O-CD2 3.17Å; Q420-F423 WeakPolarHBondContact O-CB 3.34Å; Q420-F423 PolarHBondContact O-N 3.45Å; Q420-F423 VanDerWaalsContact O-N 3.09Å; E421-F423 VanDerWaalsContact C-N 3.27Å; F423-Y428 HydrophobicContact CB-CE2 4.23Å; F423-Y428 HydrophobicContact CD1-CE2 4.33Å
424	D	97.1	Very high	97.6	Very high	26 Å²	26	24.3 Å²	24.3	14%	0.139	12%	0.123	C	C	.	.	S	Bend	trans	-133.6	174.9	-174.7	72.5	-0.1	0	0	0	113.3	H407 M422 V426 S427 Y428 R902	H407-D424 IonicContact CD2-OD2 3.34Å; H407-D424 IonicContact CE1-OD1 3.26Å; H407-D424 IonicContact CE1-OD2 3.45Å; H407-D424 IonicContact NE2-OD1 2.79Å; H407-D424 IonicContact NE2-OD2 2.79Å; H407-D424 PolarHBondContact NE2-OD2 3.01Å; M422-D424 PolarHBondContact O-N 3.19Å; D424-V426 PolarHBondContact O-N 2.97Å; D424-V426 WeakPolarHBondContact OD1-CB 3.42Å; D424-V426 PolarHBondContact OD1-N 2.67Å; D424-S427 PolarHBondContact O-N 2.69Å; D424-S427 VanDerWaalsContact O-N 3.11Å; D424-S427 PolarHBondContact OD1-N 2.83Å; D424-Y428 VanDerWaalsContact O-CD2 3.3Å; D424-Y428 WeakPolarHBondContact O-CD2 3.33Å; D424-Y428 PolarHBondContact O-N 3.3Å; D424-Y428 VanDerWaalsContact O-N 3.14Å; D424-R902 IonicContact OD2-NH1 2.86Å; D424-R902 PolarHBondContact OD2-NH1 3.44Å
425	D	97.8	Very high	97.8	Very high	64 Å²	64	19.5 Å²	19.5	34%	0.342	10%	0.1	S	C	.	.	H	α-helix	trans	-61.2	-16.8	-175.4	-57.8	-23.4	0	0	0	113.1	D429 K430	D425-D429 WeakPolarHBondContact O-CA 3.29Å; D425-D429 WeakPolarHBondContact O-CB 3.45Å; D425-D429 PolarHBondContact O-N 3.33Å; D425-K430 PolarHBondContact O-N 2.83Å
426	V	98.4	Very high	98	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.101	C	C	.	.	I	π-helix	trans	-74	-49.9	174.9	-176.9	0	0	0	0	110.4	H407 V409 D424 K430 G431	H407-V426 WeakPolarHBondContact NE2-CB 3.25Å; V409-V426 HydrophobicContact CG2-CG1 4.09Å; D424-V426 PolarHBondContact O-N 2.97Å; D424-V426 WeakPolarHBondContact OD1-CB 3.42Å; D424-V426 PolarHBondContact OD1-N 2.67Å; V426-K430 HydrophobicContact CG1-CD 4.12Å; V426-K430 WeakPolarHBondContact O-CB 3.34Å; V426-G431 PolarHBondContact O-N 2.83Å; V426-G431 VanDerWaalsContact O-N 3.12Å
427	S	98.6	Very high	98.1	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.089	C	C	.	.	I	π-helix	trans	-67.2	-40.9	178.6	-65	0	0	0	0	112.5	G367 M422 D424	G367-S427 WeakPolarHBondContact CA-O 3.44Å; G367-S427 PolarHBondContact N-O 3.33Å; M422-S427 WeakPolarHBondContact O-CB 3.3Å; M422-S427 PolarHBondContact O-OG 2.94Å; D424-S427 PolarHBondContact O-N 2.69Å; D424-S427 VanDerWaalsContact O-N 3.11Å; D424-S427 PolarHBondContact OD1-N 2.83Å
428	Y	98.7	Very high	98.2	Very high	51 Å²	51	15.9 Å²	15.9	20%	0.2	8%	0.077	C	C	.	.	I	π-helix	trans	-81	-66.5	-178.1	-74.3	-97.9	0	0	0	112	H343 E366 F423 D424 A432	H343-Y428 AromaticContact CE1-CE1 3.98Å; H343-Y428 AromaticContact NE2-CE1 3.83Å; E366-Y428 HydrophobicContact CB-CD1 3.89Å; E366-Y428 HydrophobicContact CB-CD2 4.16Å; E366-Y428 HydrophobicContact CB-CE1 3.87Å; E366-Y428 HydrophobicContact CB-CE2 4.15Å; E366-Y428 HydrophobicContact CB-CG 4.05Å; E366-Y428 HydrophobicContact CG-CD1 4.46Å; E366-Y428 HydrophobicContact CG-CD2 4.49Å; E366-Y428 HydrophobicContact CG-CE1 3.95Å; E366-Y428 HydrophobicContact CG-CE2 3.99Å; E366-Y428 PolarHBondContact OE1-OH 2.81Å; E366-Y428 WeakPolarHBondContact OE2-CE1 3.26Å; E366-Y428 VanDerWaalsContact OE2-CZ 3.26Å; E366-Y428 PolarHBondContact OE2-OH 3.3Å; F423-Y428 HydrophobicContact CB-CE2 4.23Å; F423-Y428 HydrophobicContact CD1-CE2 4.33Å; D424-Y428 VanDerWaalsContact O-CD2 3.3Å; D424-Y428 WeakPolarHBondContact O-CD2 3.33Å; D424-Y428 PolarHBondContact O-N 3.3Å; D424-Y428 VanDerWaalsContact O-N 3.14Å; Y428-A432 WeakPolarHBondContact O-CB 3.47Å; Y428-A432 PolarHBondContact O-N 2.85Å
429	D	98.6	Very high	98.1	Very high	3 Å²	3	15.5 Å²	15.5	2%	0.016	7%	0.072	C	C	.	.	I	π-helix	trans	-84	-46.1	-164.7	-69.9	-26	0	0	0	111.4	K393 A397 D425 G431 A432 C433	K393-D429 HydrophobicContact CB-CB 4.12Å; K393-D429 IonicContact NZ-OD1 3.98Å; K393-D429 IonicContact NZ-OD2 3.88Å; K393-D429 PolarHBondContact NZ-OD2 3.38Å; K393-D429 WeakPolarHBondContact O-CB 3.25Å; A397-D429 HydrophobicContact CB-CB 3.91Å; D425-D429 WeakPolarHBondContact O-CA 3.29Å; D425-D429 WeakPolarHBondContact O-CB 3.45Å; D425-D429 PolarHBondContact O-N 3.33Å; D429-G431 VanDerWaalsContact C-N 3.34Å; D429-G431 PolarHBondContact O-N 3.12Å; D429-A432 PolarHBondContact O-N 2.8Å; D429-C433 WeakPolarHBondContact O-CB 3.43Å; D429-C433 PolarHBondContact O-N 3.25Å; D429-C433 PolarHBondContact O-SG 2.89Å
430	K	98.8	Very high	97.8	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.084	C	C	.	.	I	π-helix	trans	-61.7	-43.1	171.7	176.5	175.5	-178.8	175.6	0	110.9	A397 D401 V409 D425 V426 A432 C433 I434 G524 Y602	A397-K430 HydrophobicContact CB-CB 4.02Å; D401-K430 IonicContact OD1-NZ 3.59Å; D401-K430 PolarHBondContact OD1-NZ 3.36Å; D401-K430 WeakPolarHBondContact OD2-CD 3.44Å; D401-K430 WeakPolarHBondContact OD2-CE 3.32Å; D401-K430 IonicContact OD2-NZ 3.59Å; D401-K430 PolarHBondContact OD2-NZ 2.94Å; V409-K430 HydrophobicContact CG2-CD 3.61Å; V409-K430 HydrophobicContact CG2-CG 3.82Å; D425-K430 PolarHBondContact O-N 2.83Å; V426-K430 HydrophobicContact CG1-CD 4.12Å; V426-K430 WeakPolarHBondContact O-CB 3.34Å; K430-A432 PolarHBondContact O-N 3.32Å; K430-C433 PolarHBondContact O-N 2.96Å; K430-I434 HydrophobicContact CG-CG2 4.24Å; K430-I434 WeakPolarHBondContact O-CG1 3.19Å; K430-I434 WeakPolarHBondContact O-CG2 3.36Å; K430-I434 PolarHBondContact O-N 3.44Å; K430-G524 PolarHBondContact NZ-O 2.95Å; K430-Y602 HydrophobicContact CB-CE1 4.42Å; K430-Y602 HydrophobicContact CB-CE2 4.42Å; K430-Y602 HydrophobicContact CD-CD1 4.5Å; K430-Y602 HydrophobicContact CD-CE1 3.67Å; K430-Y602 HydrophobicContact CG-CD1 4.24Å; K430-Y602 HydrophobicContact CG-CE1 3.65Å; K430-Y602 HydrophobicContact CG-CE2 4.35Å
431	G	98.8	Very high	97.5	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-51	-50.9	172.8	0	0	0	0	0	112.7	V426 D429 I434 L435	V426-G431 PolarHBondContact O-N 2.83Å; V426-G431 VanDerWaalsContact O-N 3.12Å; D429-G431 VanDerWaalsContact C-N 3.34Å; D429-G431 PolarHBondContact O-N 3.12Å; G431-I434 VanDerWaalsContact O-CG1 3.28Å; G431-I434 WeakPolarHBondContact O-CG1 3.19Å; G431-L435 VanDerWaalsContact O-CG 3.29Å; G431-L435 WeakPolarHBondContact O-CG 3.5Å; G431-L435 PolarHBondContact O-N 3.37Å
432	A	98.8	Very high	97.1	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-65.4	-39.8	177.2	0	0	0	0	0	113.4	K370 F371 F390 Y428 D429 K430 L435 N436	K370-A432 HydrophobicContact CB-CB 3.93Å; K370-A432 HydrophobicContact CG-CB 3.58Å; F371-A432 HydrophobicContact CB-CB 4.01Å; F390-A432 HydrophobicContact CE2-CB 4.36Å; Y428-A432 WeakPolarHBondContact O-CB 3.47Å; Y428-A432 PolarHBondContact O-N 2.85Å; D429-A432 PolarHBondContact O-N 2.8Å; K430-A432 PolarHBondContact O-N 3.32Å; A432-L435 PolarHBondContact O-N 3.03Å; A432-N436 PolarHBondContact O-N 3.19Å
433	C	98.8	Very high	96.6	Very high	3 Å²	3	19.2 Å²	19.2	2%	0.02	10%	0.096	C	C	.	.	H	α-helix	trans	-65.9	-40.9	180	-66.8	0	0	0	0	112.8	C394 D429 K430 L435 N436 M437 Y602	C394-C433 WeakPolarHBondContact CA-SG 3.49Å; C394-C433 HydrophobicContact CB-CB 4.04Å; C394-C433 WeakPolarHBondContact CB-SG 3.31Å; C394-C433 PolarHBondContact N-SG 3.45Å; C394-C433 VanDerWaalsContact N-SG 3.41Å; C394-C433 WeakPolarHBondContact SG-CB 3.47Å; C394-C433 CovalentContact SG-SG 2.04Å; C394-C433 PolarHBondContact SG-SG 3.24Å; D429-C433 WeakPolarHBondContact O-CB 3.43Å; D429-C433 PolarHBondContact O-N 3.25Å; D429-C433 PolarHBondContact O-SG 2.89Å; K430-C433 PolarHBondContact O-N 2.96Å; C433-L435 VanDerWaalsContact C-N 3.35Å; C433-N436 PolarHBondContact O-N 3.36Å; C433-M437 WeakPolarHBondContact O-CB 3.47Å; C433-M437 PolarHBondContact O-N 3.36Å; C433-Y602 HydrophobicContact CB-CD2 3.56Å; C433-Y602 HydrophobicContact CB-CE2 4.05Å; C433-Y602 HydrophobicContact CB-CG 4.42Å
434	I	98.8	Very high	96.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-72.2	-29.1	176.5	68.3	174.5	0	0	0	112.1	W363 V409 K430 G431 M437 L438 M516 W519 T520 Y602	W363-I434 HydrophobicContact CZ3-CD1 4.42Å; V409-I434 HydrophobicContact CG2-CD1 4.32Å; K430-I434 HydrophobicContact CG-CG2 4.24Å; K430-I434 WeakPolarHBondContact O-CG1 3.19Å; K430-I434 WeakPolarHBondContact O-CG2 3.36Å; K430-I434 PolarHBondContact O-N 3.44Å; G431-I434 VanDerWaalsContact O-CG1 3.28Å; G431-I434 WeakPolarHBondContact O-CG1 3.19Å; I434-M437 HydrophobicContact CB-CE 4.33Å; I434-M437 HydrophobicContact CG2-CE 4.4Å; I434-L438 WeakPolarHBondContact O-CB 3.46Å; I434-L438 PolarHBondContact O-N 2.92Å; I434-M516 HydrophobicContact CB-CE 4.08Å; I434-M516 HydrophobicContact CD1-CE 4.15Å; I434-M516 HydrophobicContact CG1-CE 4.19Å; I434-W519 HydrophobicContact CD1-CB 4.37Å; I434-W519 HydrophobicContact CG2-CB 4.37Å; I434-W519 HydrophobicContact CG2-CE3 4.32Å; I434-T520 HydrophobicContact CD1-CG2 3.71Å; I434-Y602 HydrophobicContact CG2-CD1 4.32Å; I434-Y602 HydrophobicContact CG2-CG 4.23Å
435	L	98.8	Very high	95.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-67.3	-41.9	170.3	-71.9	172.7	0	0	0	111.8	W363 F368 F371 G431 A432 C433 L438 R439 F447	W363-L435 HydrophobicContact CZ3-CD2 4.21Å; W363-L435 HydrophobicContact CZ3-CG 4.3Å; F368-L435 HydrophobicContact CB-CD1 4.48Å; F368-L435 HydrophobicContact CD1-CD1 3.88Å; F368-L435 HydrophobicContact CD2-CD1 3.79Å; F368-L435 HydrophobicContact CE1-CD1 3.92Å; F368-L435 HydrophobicContact CE1-CD2 4.01Å; F368-L435 HydrophobicContact CE2-CD1 3.84Å; F368-L435 HydrophobicContact CE2-CD2 3.8Å; F368-L435 HydrophobicContact CE2-CG 4.47Å; F368-L435 HydrophobicContact CG-CD1 3.82Å; F368-L435 HydrophobicContact CZ-CD1 3.9Å; F368-L435 HydrophobicContact CZ-CD2 3.46Å; F368-L435 VanDerWaalsContact CZ-CD2 3.46Å; F368-L435 HydrophobicContact CZ-CG 4.35Å; F371-L435 HydrophobicContact CB-CB 4.46Å; F371-L435 HydrophobicContact CB-CD1 4.09Å; F371-L435 HydrophobicContact CD1-CB 4.42Å; F371-L435 HydrophobicContact CD2-CB 4.18Å; F371-L435 HydrophobicContact CG-CB 4.09Å; F371-L435 HydrophobicContact CG-CD1 4.39Å; G431-L435 VanDerWaalsContact O-CG 3.29Å; G431-L435 WeakPolarHBondContact O-CG 3.5Å; G431-L435 PolarHBondContact O-N 3.37Å; A432-L435 PolarHBondContact O-N 3.03Å; C433-L435 VanDerWaalsContact C-N 3.35Å; L435-L438 PolarHBondContact O-N 3.19Å; L435-R439 WeakPolarHBondContact O-CB 3.4Å; L435-R439 PolarHBondContact O-N 2.87Å; L435-F447 HydrophobicContact CB-CZ 4.49Å; L435-F447 HydrophobicContact CD2-CE2 4.3Å; L435-F447 HydrophobicContact CD2-CZ 4.16Å
436	N	98.2	Very high	95	Very high	35 Å²	35	21 Å²	21	19%	0.187	11%	0.106	C	C	.	.	H	α-helix	trans	-62.9	-43.4	174.4	-177.2	62.1	0	0	0	112.1	F371 F390 A432 C433 L438 R439 D440	F371-N436 HydrophobicContact CD2-CB 4.24Å; F371-N436 HydrophobicContact CE2-CB 3.89Å; F390-N436 HydrophobicContact CE1-CB 3.66Å; F390-N436 HydrophobicContact CZ-CB 3.5Å; F390-N436 VanDerWaalsContact CZ-CB 3.5Å; A432-N436 PolarHBondContact O-N 3.19Å; C433-N436 PolarHBondContact O-N 3.36Å; N436-L438 VanDerWaalsContact C-N 3.33Å; N436-L438 PolarHBondContact O-N 3.29Å; N436-R439 PolarHBondContact O-N 2.96Å; N436-D440 PolarHBondContact O-N 3.37Å
437	M	98.3	Very high	94.7	Very high	4 Å²	4	21.2 Å²	21.2	2%	0.02	11%	0.107	C	C	.	.	H	α-helix	trans	-59.3	-43.8	173.3	178.1	-179.7	70.3	0	0	111.6	C433 I434 D440 F441 W519 P561 S600	C433-M437 WeakPolarHBondContact O-CB 3.47Å; C433-M437 PolarHBondContact O-N 3.36Å; I434-M437 HydrophobicContact CB-CE 4.33Å; I434-M437 HydrophobicContact CG2-CE 4.4Å; M437-D440 PolarHBondContact O-N 3.49Å; M437-F441 WeakPolarHBondContact O-CB 2.9Å; M437-F441 PolarHBondContact O-N 3.27Å; M437-W519 HydrophobicContact CE-CD2 3.59Å; M437-W519 HydrophobicContact CE-CE3 4.18Å; M437-W519 HydrophobicContact CE-CG 3.87Å; M437-W519 HydrophobicContact CE-CH2 4.34Å; M437-W519 HydrophobicContact CE-CZ2 3.79Å; M437-W519 HydrophobicContact SD-CH2 4.25Å; M437-W519 HydrophobicContact SD-CZ2 3.91Å; M437-P561 HydrophobicContact CG-CG 3.63Å; M437-P561 HydrophobicContact SD-CG 3.79Å; M437-S600 VanDerWaalsContact CA-O 3.27Å; M437-S600 WeakPolarHBondContact CA-O 3.5Å; M437-S600 WeakPolarHBondContact CB-O 3.15Å
438	L	96.6	Very high	94.3	Very high	3 Å²	3	23.3 Å²	23.3	2%	0.016	12%	0.117	C	C	.	.	H	α-helix	trans	-66.5	-37.7	177.5	-178.5	59.2	0	0	0	112.3	I434 L435 N436 F441 L442 F447 W469 L472 V512 M516	I434-L438 WeakPolarHBondContact O-CB 3.46Å; I434-L438 PolarHBondContact O-N 2.92Å; L435-L438 PolarHBondContact O-N 3.19Å; N436-L438 VanDerWaalsContact C-N 3.33Å; N436-L438 PolarHBondContact O-N 3.29Å; L438-F441 HydrophobicContact CD1-CD1 4.13Å; L438-F441 WeakPolarHBondContact O-CB 3.36Å; L438-F441 PolarHBondContact O-N 2.83Å; L438-L442 HydrophobicContact CD1-CD1 3.88Å; L438-L442 HydrophobicContact CD1-CG 3.92Å; L438-L442 HydrophobicContact CG-CD1 4.03Å; L438-L442 HydrophobicContact CG-CG 4.4Å; L438-L442 PolarHBondContact O-N 2.71Å; L438-F447 HydrophobicContact CD2-CE2 4.31Å; L438-F447 HydrophobicContact CG-CD2 4.38Å; L438-F447 HydrophobicContact CG-CE2 4.37Å; L438-W469 HydrophobicContact CD2-CE3 4.36Å; L438-W469 HydrophobicContact CD2-CZ3 3.68Å; L438-L472 HydrophobicContact CD2-CD1 3.74Å; L438-V512 HydrophobicContact CD1-CG1 3.99Å; L438-V512 HydrophobicContact CD2-CG1 4.21Å; L438-M516 HydrophobicContact CB-CE 4.3Å; L438-M516 HydrophobicContact CB-SD 4.06Å; L438-M516 HydrophobicContact CD1-CG 4.08Å; L438-M516 HydrophobicContact CD1-SD 3.9Å; L438-M516 HydrophobicContact CD2-CE 4.2Å; L438-M516 HydrophobicContact CD2-CG 3.88Å; L438-M516 HydrophobicContact CD2-SD 4Å; L438-M516 HydrophobicContact CG-SD 4.21Å
439	R	95.4	Very high	93.7	Very high	65 Å²	65	22.2 Å²	22.2	25%	0.245	11%	0.114	C	C	.	.	H	α-helix	trans	-62.8	-43.9	173.8	179.3	175.7	172.9	-88.9	9.1	111.7	F371 L435 N436 F441 S443 F447	F371-R439 HydrophobicContact CZ-CB 4.42Å; L435-R439 WeakPolarHBondContact O-CB 3.4Å; L435-R439 PolarHBondContact O-N 2.87Å; N436-R439 PolarHBondContact O-N 2.96Å; R439-F441 VanDerWaalsContact C-N 3.27Å; R439-F441 PolarHBondContact O-N 3Å; R439-S443 CarbonylContact O-C 3.56Å; R439-S443 VanDerWaalsContact O-CA 3.3Å; R439-S443 WeakPolarHBondContact O-CA 3.48Å; R439-S443 PolarHBondContact O-N 2.79Å; R439-F447 HydrophobicContact CB-CB 4.27Å; R439-F447 HydrophobicContact CB-CD1 4.32Å; R439-F447 HydrophobicContact CB-CD2 3.96Å; R439-F447 HydrophobicContact CB-CE2 4.37Å; R439-F447 HydrophobicContact CB-CG 3.92Å; R439-F447 HydrophobicContact CG-CB 4.07Å; R439-F447 HydrophobicContact CG-CD1 4.31Å; R439-F447 HydrophobicContact CG-CG 4.09Å
440	D	92.5	Very high	93.2	Very high	47 Å²	47	22.1 Å²	22.1	25%	0.251	11%	0.114	S	C	.	.	H	α-helix	trans	-65.1	-33.4	173.6	-176.7	56.6	0	0	0	111.7	N436 M437 R574 S600	N436-D440 PolarHBondContact O-N 3.37Å; M437-D440 PolarHBondContact O-N 3.49Å; D440-R574 PolarHBondContact O-NH1 3.27Å; D440-R574 IonicContact OD1-CZ 2.61Å; D440-R574 IonicContact OD1-NH1 2.81Å; D440-R574 PolarHBondContact OD1-NH1 3.4Å; D440-R574 IonicContact OD1-NH2 2.69Å; D440-R574 PolarHBondContact OD1-NH2 3.45Å; D440-R574 IonicContact OD2-CZ 2.96Å; D440-R574 IonicContact OD2-NH1 3.74Å; D440-R574 PolarHBondContact OD2-NH1 3.43Å; D440-R574 IonicContact OD2-NH2 2.69Å; D440-S600 PolarHBondContact OD2-OG 2.89Å
441	F	91.6	Very high	93.1	Very high	9 Å²	9	22.3 Å²	22.3	4%	0.039	12%	0.115	C	C	.	.	H	α-helix	trans	-65.8	-48.7	175.9	179.2	-103.6	0	0	0	113.3	M437 L438 R439 W504 P510 I515 P561 L576	M437-F441 WeakPolarHBondContact O-CB 2.9Å; M437-F441 PolarHBondContact O-N 3.27Å; L438-F441 HydrophobicContact CD1-CD1 4.13Å; L438-F441 WeakPolarHBondContact O-CB 3.36Å; L438-F441 PolarHBondContact O-N 2.83Å; R439-F441 VanDerWaalsContact C-N 3.27Å; R439-F441 PolarHBondContact O-N 3Å; F441-W504 HydrophobicContact CB-CZ2 4.23Å; F441-W504 AromaticContact CD2-CD2 3.83Å; F441-W504 HydrophobicContact CD2-CD2 3.83Å; F441-W504 AromaticContact CD2-CE2 3.33Å; F441-W504 HydrophobicContact CD2-CE3 4.07Å; F441-W504 AromaticContact CD2-CH2 3.56Å; F441-W504 HydrophobicContact CD2-CH2 3.56Å; F441-W504 AromaticContact CD2-CZ2 3.26Å; F441-W504 HydrophobicContact CD2-CZ2 3.26Å; F441-W504 AromaticContact CD2-CZ3 3.93Å; F441-W504 HydrophobicContact CD2-CZ3 3.93Å; F441-W504 AromaticContact CD2-NE1 3.82Å; F441-W504 AromaticContact CE2-CD2 3.54Å; F441-W504 HydrophobicContact CE2-CD2 3.54Å; F441-W504 AromaticContact CE2-CE2 3.52Å; F441-W504 AromaticContact CE2-CE3 3.82Å; F441-W504 HydrophobicContact CE2-CE3 3.82Å; F441-W504 HydrophobicContact CE2-CG 4.09Å; F441-W504 HydrophobicContact CE2-CH2 4.18Å; F441-W504 AromaticContact CE2-CZ2 3.92Å; F441-W504 HydrophobicContact CE2-CZ2 3.92Å; F441-W504 HydrophobicContact CE2-CZ3 4.11Å; F441-W504 AromaticContact CE2-NE1 3.85Å; F441-W504 HydrophobicContact CG-CZ2 4.08Å; F441-W504 PolarHBondContact O-NE1 3.12Å; F441-P510 HydrophobicContact CE1-CB 3.79Å; F441-P510 HydrophobicContact CZ-CB 3.66Å; F441-I515 HydrophobicContact CD1-CD1 4.48Å; F441-I515 HydrophobicContact CE1-CD1 3.61Å; F441-I515 HydrophobicContact CE2-CD1 4.18Å; F441-I515 HydrophobicContact CZ-CD1 3.43Å; F441-I515 VanDerWaalsContact CZ-CD1 3.43Å; F441-P561 HydrophobicContact CB-CB 4.37Å; F441-P561 HydrophobicContact CD2-CB 3.55Å; F441-P561 HydrophobicContact CD2-CG 4.46Å; F441-P561 HydrophobicContact CE2-CB 4.26Å; F441-P561 HydrophobicContact CG-CB 4.3Å; F441-L576 HydrophobicContact CE2-CD1 4.43Å; F441-L576 HydrophobicContact CE2-CD2 4.45Å; F441-L576 HydrophobicContact CZ-CD2 4.5Å
442	L	88.4	Confident	92.8	Very high	32 Å²	32	23.6 Å²	23.6	17%	0.168	12%	0.121	C	C	.	.	H	α-helix	trans	-83.5	-22.3	-174.8	-69.7	179.8	0	0	0	114.4	L438 A446 L472 V512	L438-L442 HydrophobicContact CD1-CD1 3.88Å; L438-L442 HydrophobicContact CD1-CG 3.92Å; L438-L442 HydrophobicContact CG-CD1 4.03Å; L438-L442 HydrophobicContact CG-CG 4.4Å; L438-L442 PolarHBondContact O-N 2.71Å; L442-A446 HydrophobicContact CB-CB 4.25Å; L442-A446 WeakPolarHBondContact O-CB 3.22Å; L442-L472 HydrophobicContact CD1-CB 4.35Å; L442-L472 HydrophobicContact CD1-CD2 4.25Å; L442-V512 HydrophobicContact CD1-CG2 4.3Å; L442-V512 HydrophobicContact CD2-CG2 3.8Å
443	S	88.4	Confident	92.4	Very high	38 Å²	38	26.8 Å²	26.8	27%	0.266	13%	0.134	S	C	.	.			trans	85.8	145.4	-156.7	74.5	0	0	0	0	113.9	R439 E445 A446 F447	R439-S443 CarbonylContact O-C 3.56Å; R439-S443 VanDerWaalsContact O-CA 3.3Å; R439-S443 WeakPolarHBondContact O-CA 3.48Å; R439-S443 PolarHBondContact O-N 2.79Å; S443-E445 VanDerWaalsContact C-N 3.3Å; S443-E445 PolarHBondContact O-N 3.28Å; S443-A446 PolarHBondContact O-N 3.17Å; S443-A446 WeakPolarHBondContact OG-CB 3.39Å; S443-A446 PolarHBondContact OG-N 3.24Å; S443-F447 WeakPolarHBondContact O-CB 3.29Å; S443-F447 PolarHBondContact O-N 2.7Å; S443-F447 VanDerWaalsContact O-N 3.07Å
444	P	88.8	Confident	92.3	Very high	43 Å²	43	26.8 Å²	26.8	28%	0.279	13%	0.133	S	C	.	.	H	α-helix	trans	-49.5	-46.3	174.9	-31.3	38.3	0	0	0	114.3	F447 E448	P444-F447 PolarHBondContact O-N 2.77Å; P444-E448 WeakPolarHBondContact O-CB 3.15Å; P444-E448 PolarHBondContact O-N 2.77Å
445	E	85.6	Confident	92.3	Very high	104 Å²	104	26.8 Å²	26.8	49%	0.486	13%	0.133	S	C	.	.	H	α-helix	trans	-69.6	-41.4	-174.7	-64	76.6	-170.4	0	0	112	S443 I449 F491	S443-E445 VanDerWaalsContact C-N 3.3Å; S443-E445 PolarHBondContact O-N 3.28Å; E445-I449 WeakPolarHBondContact O-CD1 3.18Å; E445-I449 VanDerWaalsContact O-CG1 3.26Å; E445-I449 WeakPolarHBondContact O-CG1 3.37Å; E445-I449 PolarHBondContact O-N 3.02Å; E445-I449 VanDerWaalsContact O-N 3.15Å; E445-F491 HydrophobicContact CB-CD2 4.12Å; E445-F491 HydrophobicContact CB-CE2 3.86Å
446	A	84.8	Confident	92.1	Very high	5 Å²	5	29.8 Å²	29.8	4%	0.041	15%	0.146	C	C	.	.	H	α-helix	trans	-67	-39.7	177.2	0	0	0	0	0	111.6	L442 S443 G450 F491	L442-A446 HydrophobicContact CB-CB 4.25Å; L442-A446 WeakPolarHBondContact O-CB 3.22Å; S443-A446 PolarHBondContact O-N 3.17Å; S443-A446 WeakPolarHBondContact OG-CB 3.39Å; S443-A446 PolarHBondContact OG-N 3.24Å; A446-G450 PolarHBondContact O-N 2.77Å; A446-G450 VanDerWaalsContact O-N 3.1Å; A446-F491 HydrophobicContact CB-CE1 4.5Å; A446-F491 HydrophobicContact CB-CZ 4.07Å
447	F	91.6	Very high	92	Very high	3 Å²	3	34.1 Å²	34.1	1%	0.013	16%	0.16	C	C	.	.	H	α-helix	trans	-62.9	-49.6	176	-175.2	-87	0	0	0	111.3	F368 F371 L435 L438 R439 S443 P444 I449 G450 I451 L472	F368-F447 HydrophobicContact CE1-CZ 4.2Å; F371-F447 HydrophobicContact CD1-CE1 4.5Å; F371-F447 AromaticContact CE1-CE1 3.63Å; F371-F447 HydrophobicContact CE1-CE1 3.63Å; F371-F447 AromaticContact CE1-CZ 4Å; F371-F447 HydrophobicContact CE1-CZ 4Å; F371-F447 HydrophobicContact CZ-CE1 4.2Å; F371-F447 HydrophobicContact CZ-CZ 4.48Å; L435-F447 HydrophobicContact CB-CZ 4.49Å; L435-F447 HydrophobicContact CD2-CE2 4.3Å; L435-F447 HydrophobicContact CD2-CZ 4.16Å; L438-F447 HydrophobicContact CD2-CE2 4.31Å; L438-F447 HydrophobicContact CG-CD2 4.38Å; L438-F447 HydrophobicContact CG-CE2 4.37Å; R439-F447 HydrophobicContact CB-CB 4.27Å; R439-F447 HydrophobicContact CB-CD1 4.32Å; R439-F447 HydrophobicContact CB-CD2 3.96Å; R439-F447 HydrophobicContact CB-CE2 4.37Å; R439-F447 HydrophobicContact CB-CG 3.92Å; R439-F447 HydrophobicContact CG-CB 4.07Å; R439-F447 HydrophobicContact CG-CD1 4.31Å; R439-F447 HydrophobicContact CG-CG 4.09Å; S443-F447 WeakPolarHBondContact O-CB 3.29Å; S443-F447 PolarHBondContact O-N 2.7Å; S443-F447 VanDerWaalsContact O-N 3.07Å; P444-F447 PolarHBondContact O-N 2.77Å; F447-I449 PolarHBondContact O-N 2.83Å; F447-G450 PolarHBondContact O-N 2.99Å; F447-I451 HydrophobicContact CD1-CG1 3.93Å; F447-I451 HydrophobicContact CE1-CD1 4.25Å; F447-I451 HydrophobicContact CE1-CG1 3.56Å; F447-I451 HydrophobicContact CZ-CD1 4.14Å; F447-I451 HydrophobicContact CZ-CG1 3.95Å; F447-I451 WeakPolarHBondContact O-CG1 3.33Å; F447-I451 PolarHBondContact O-N 3.38Å; F447-L472 HydrophobicContact CD2-CD2 4.12Å; F447-L472 HydrophobicContact CE2-CD2 4.47Å
448	E	90.5	Very high	92	Very high	44 Å²	44	34.7 Å²	34.7	21%	0.206	16%	0.162	C	C	.	.	H	α-helix	trans	-53.9	-49.8	177.3	-177.9	-174.4	147.4	0	0	111.4	Y286 P444 G450 I451 I452	Y286-E448 HydrophobicContact CE1-CG 4.28Å; Y286-E448 HydrophobicContact CE2-CG 4.17Å; P444-E448 WeakPolarHBondContact O-CB 3.15Å; P444-E448 PolarHBondContact O-N 2.77Å; E448-G450 PolarHBondContact O-N 2.85Å; E448-I451 PolarHBondContact O-N 2.87Å; E448-I452 HydrophobicContact CG-CD1 4.09Å; E448-I452 WeakPolarHBondContact O-CG1 3.44Å; E448-I452 PolarHBondContact O-N 3.24Å
449	I	85.6	Confident	92.1	Very high	29 Å²	29	35.9 Å²	35.9	15%	0.149	17%	0.171	C	C	.	.	H	α-helix	trans	-61.3	-44.5	179.5	-65.8	166.6	0	0	0	111.6	E445 F447 I451 I452 R453 V475 H488 F491	E445-I449 WeakPolarHBondContact O-CD1 3.18Å; E445-I449 VanDerWaalsContact O-CG1 3.26Å; E445-I449 WeakPolarHBondContact O-CG1 3.37Å; E445-I449 PolarHBondContact O-N 3.02Å; E445-I449 VanDerWaalsContact O-N 3.15Å; F447-I449 PolarHBondContact O-N 2.83Å; I449-I451 VanDerWaalsContact C-N 3.3Å; I449-I451 PolarHBondContact O-N 2.75Å; I449-I452 PolarHBondContact O-N 2.78Å; I449-R453 PolarHBondContact O-N 3.42Å; I449-V475 HydrophobicContact CB-CG1 3.58Å; I449-V475 HydrophobicContact CD1-CG1 4.34Å; I449-V475 HydrophobicContact CG2-CG1 3.23Å; I449-H488 VanDerWaalsContact CG2-CE1 3.46Å; I449-H488 WeakPolarHBondContact CG2-CE1 3.36Å; I449-H488 WeakPolarHBondContact CG2-ND1 3.42Å; I449-F491 HydrophobicContact CD1-CB 4.17Å; I449-F491 HydrophobicContact CD1-CD1 3.68Å; I449-F491 HydrophobicContact CD1-CE1 4.23Å; I449-F491 HydrophobicContact CD1-CG 3.93Å
450	G	89.3	Confident	92.2	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-65.5	-34.8	-179.8	0	0	0	0	0	112.7	A446 F447 E448 R453 Y454 S471	A446-G450 PolarHBondContact O-N 2.77Å; A446-G450 VanDerWaalsContact O-N 3.1Å; F447-G450 PolarHBondContact O-N 2.99Å; E448-G450 PolarHBondContact O-N 2.85Å; G450-R453 PolarHBondContact O-N 3.36Å; G450-Y454 WeakPolarHBondContact O-CB 3.39Å; G450-Y454 PolarHBondContact O-N 2.87Å; G450-S471 WeakPolarHBondContact CA-O 3.17Å
451	I	95.3	Very high	92.5	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.015	19%	0.185	C	C	.	.	H	α-helix	trans	-66.8	-44.1	172.9	-71.1	-50	0	0	0	112.4	F287 F350 F368 F447 E448 I449 R453 Y454 L455 L468 L472	F287-I451 HydrophobicContact CD1-CG2 4.36Å; F287-I451 HydrophobicContact CE1-CG2 4.24Å; F350-I451 HydrophobicContact CE1-CG2 4.22Å; F350-I451 HydrophobicContact CE2-CG2 4.42Å; F350-I451 HydrophobicContact CZ-CG2 3.49Å; F350-I451 VanDerWaalsContact CZ-CG2 3.49Å; F368-I451 HydrophobicContact CE1-CD1 3.33Å; F368-I451 HydrophobicContact CE1-CG1 4.14Å; F368-I451 HydrophobicContact CZ-CD1 3.49Å; F368-I451 VanDerWaalsContact CZ-CD1 3.49Å; F447-I451 HydrophobicContact CD1-CG1 3.93Å; F447-I451 HydrophobicContact CE1-CD1 4.25Å; F447-I451 HydrophobicContact CE1-CG1 3.56Å; F447-I451 HydrophobicContact CZ-CD1 4.14Å; F447-I451 HydrophobicContact CZ-CG1 3.95Å; F447-I451 WeakPolarHBondContact O-CG1 3.33Å; F447-I451 PolarHBondContact O-N 3.38Å; E448-I451 PolarHBondContact O-N 2.87Å; I449-I451 VanDerWaalsContact C-N 3.3Å; I449-I451 PolarHBondContact O-N 2.75Å; I451-R453 VanDerWaalsContact C-N 3.28Å; I451-R453 PolarHBondContact O-N 2.64Å; I451-Y454 WeakPolarHBondContact O-CB 3.39Å; I451-Y454 PolarHBondContact O-N 3.02Å; I451-L455 HydrophobicContact CG2-CD1 4.08Å; I451-L455 HydrophobicContact CG2-CG 4.49Å; I451-L455 WeakPolarHBondContact O-CG 3.49Å; I451-L455 PolarHBondContact O-N 3.29Å; I451-L468 HydrophobicContact CD1-CD1 3.82Å; I451-L472 HydrophobicContact CD1-CD2 4.29Å; I451-L472 HydrophobicContact CG1-CD2 4.45Å
452	I	93.5	Very high	92.8	Very high	27 Å²	27	40.1 Å²	40.1	14%	0.138	19%	0.19	C	C	.	.	H	α-helix	trans	-59.6	-43.4	175.5	-66.8	169.4	0	0	0	110.1	F287 E448 I449 Y454 L455 K456	F287-I452 WeakPolarHBondContact O-CG2 3.39Å; E448-I452 HydrophobicContact CG-CD1 4.09Å; E448-I452 WeakPolarHBondContact O-CG1 3.44Å; E448-I452 PolarHBondContact O-N 3.24Å; I449-I452 PolarHBondContact O-N 2.78Å; I452-Y454 PolarHBondContact O-N 3.36Å; I452-L455 PolarHBondContact O-N 2.8Å; I452-K456 HydrophobicContact CG2-CD 4.04Å; I452-K456 HydrophobicContact CG2-CG 4.35Å; I452-K456 WeakPolarHBondContact O-CB 3.26Å; I452-K456 WeakPolarHBondContact O-CG 3.25Å; I452-K456 PolarHBondContact O-N 3.16Å
453	R	90.8	Very high	93.3	Very high	68 Å²	68	38.6 Å²	38.6	26%	0.257	18%	0.182	S	C	.	.	H	α-helix	trans	-59.7	-46.1	176	-177.3	-175.8	-178	-176	5	111.7	I449 G450 I451 R457	I449-R453 PolarHBondContact O-N 3.42Å; G450-R453 PolarHBondContact O-N 3.36Å; I451-R453 VanDerWaalsContact C-N 3.28Å; I451-R453 PolarHBondContact O-N 2.64Å; R453-R457 WeakPolarHBondContact O-CB 3.38Å; R453-R457 PolarHBondContact O-N 2.86Å
454	Y	96.3	Very high	93.8	Very high	3 Å²	3	38.5 Å²	38.5	1%	0.012	18%	0.179	C	C	.	.	H	α-helix	trans	-57	-53	176.3	170.7	-103	0	0	0	111.1	F350 V354 G450 I451 I452 K456 R457 Y458 T463 H467 L468	F350-Y454 HydrophobicContact CD1-CE1 4.4Å; F350-Y454 HydrophobicContact CE1-CD1 4.32Å; F350-Y454 HydrophobicContact CE1-CE1 4.23Å; V354-Y454 HydrophobicContact CB-CE1 4.44Å; V354-Y454 HydrophobicContact CG1-CE1 3.92Å; G450-Y454 WeakPolarHBondContact O-CB 3.39Å; G450-Y454 PolarHBondContact O-N 2.87Å; I451-Y454 WeakPolarHBondContact O-CB 3.39Å; I451-Y454 PolarHBondContact O-N 3.02Å; I452-Y454 PolarHBondContact O-N 3.36Å; Y454-K456 PolarHBondContact O-N 2.94Å; Y454-R457 PolarHBondContact O-N 2.87Å; Y454-Y458 AromaticContact CD2-CD2 3.71Å; Y454-Y458 HydrophobicContact CD2-CD2 3.71Å; Y454-Y458 HydrophobicContact CD2-CE2 4.03Å; Y454-Y458 HydrophobicContact CE2-CD2 4Å; Y454-Y458 HydrophobicContact CE2-CE2 4.43Å; Y454-Y458 HydrophobicContact CG-CD2 4.45Å; Y454-Y458 VanDerWaalsContact O-CD2 3.29Å; Y454-Y458 WeakPolarHBondContact O-CD2 3.5Å; Y454-Y458 PolarHBondContact O-N 3.36Å; Y454-Y458 VanDerWaalsContact O-N 3.1Å; Y454-T463 HydrophobicContact CE2-CG2 3.66Å; Y454-T463 WeakPolarHBondContact OH-CB 3.5Å; Y454-T463 PolarHBondContact OH-OG1 3.24Å; Y454-H467 HydrophobicContact CE2-CB 4.45Å; Y454-L468 HydrophobicContact CD1-CD1 4.34Å; Y454-L468 HydrophobicContact CD2-CB 4.33Å; Y454-L468 HydrophobicContact CD2-CD1 4.14Å; Y454-L468 HydrophobicContact CE2-CB 4.1Å; Y454-L468 HydrophobicContact CE2-CD1 4.36Å; Y454-L468 HydrophobicContact CG-CD1 4.11Å
455	L	97.8	Very high	94.1	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.9	-44.3	-178.2	-69.2	173.5	0	0	0	112.4	F287 I289 W349 F350 V354 I451 I452 S459	F287-L455 HydrophobicContact CB-CD1 4.2Å; F287-L455 HydrophobicContact CD1-CD1 3.73Å; F287-L455 HydrophobicContact CD2-CD1 4.43Å; F287-L455 HydrophobicContact CE1-CD1 4.2Å; F287-L455 HydrophobicContact CG-CD1 3.87Å; I289-L455 HydrophobicContact CD1-CB 3.37Å; I289-L455 HydrophobicContact CD1-CD1 4.38Å; W349-L455 HydrophobicContact CB-CD1 4.07Å; W349-L455 HydrophobicContact CB-CD2 4.1Å; W349-L455 HydrophobicContact CG-CD1 4.42Å; F350-L455 HydrophobicContact CD1-CD2 3.99Å; F350-L455 HydrophobicContact CE1-CD1 4.35Å; F350-L455 HydrophobicContact CE1-CD2 3.86Å; F350-L455 HydrophobicContact CE1-CG 4.22Å; F350-L455 HydrophobicContact CE2-CD1 4.24Å; F350-L455 HydrophobicContact CG-CD2 4.5Å; F350-L455 HydrophobicContact CZ-CD1 3.96Å; F350-L455 HydrophobicContact CZ-CD2 4.29Å; F350-L455 HydrophobicContact CZ-CG 4.32Å; V354-L455 HydrophobicContact CB-CD2 4.26Å; V354-L455 HydrophobicContact CG2-CD2 3.81Å; I451-L455 HydrophobicContact CG2-CD1 4.08Å; I451-L455 HydrophobicContact CG2-CG 4.49Å; I451-L455 WeakPolarHBondContact O-CG 3.49Å; I451-L455 PolarHBondContact O-N 3.29Å; I452-L455 PolarHBondContact O-N 2.8Å; L455-S459 PolarHBondContact O-N 3.4Å; L455-S459 VanDerWaalsContact O-N 3.09Å; L455-S459 PolarHBondContact O-OG 3.11Å
456	K	95.2	Very high	94.5	Very high	62 Å²	62	33.8 Å²	33.8	27%	0.27	16%	0.158	S	C	.	.	H	α-helix	trans	-62.4	-45.7	176.8	-73	-174	177.9	177.4	0	111.6	D288 I289 I452 Y454 Y458 E483	D288-K456 WeakPolarHBondContact O-CE 3.4Å; D288-K456 IonicContact OD2-NZ 2.77Å; D288-K456 PolarHBondContact OD2-NZ 3.5Å; I289-K456 HydrophobicContact CD1-CG 3.74Å; I289-K456 HydrophobicContact CG1-CG 3.8Å; I452-K456 HydrophobicContact CG2-CD 4.04Å; I452-K456 HydrophobicContact CG2-CG 4.35Å; I452-K456 WeakPolarHBondContact O-CB 3.26Å; I452-K456 WeakPolarHBondContact O-CG 3.25Å; I452-K456 PolarHBondContact O-N 3.16Å; Y454-K456 PolarHBondContact O-N 2.94Å; K456-Y458 PolarHBondContact O-N 3.28Å; K456-E483 PolarHBondContact NZ-O 2.91Å
457	R	95.9	Very high	95.1	Very high	127 Å²	127	36 Å²	36	48%	0.479	17%	0.167	S	C	.	.	H	α-helix	trans	-65.2	-38.4	-176.4	-175.8	173.1	-175.8	-171.6	-2.4	113.1	R453 Y454	R453-R457 WeakPolarHBondContact O-CB 3.38Å; R453-R457 PolarHBondContact O-N 2.86Å; Y454-R457 PolarHBondContact O-N 2.87Å
458	Y	97.8	Very high	95.3	Very high	15 Å²	15	35.8 Å²	35.8	6%	0.059	17%	0.167	C	C	.	.	H	α-helix	trans	-107.7	14	-173	-60.8	-75.5	0	0	0	114	Y454 K456 Y460 Q461 T463 H467	Y454-Y458 AromaticContact CD2-CD2 3.71Å; Y454-Y458 HydrophobicContact CD2-CD2 3.71Å; Y454-Y458 HydrophobicContact CD2-CE2 4.03Å; Y454-Y458 HydrophobicContact CE2-CD2 4Å; Y454-Y458 HydrophobicContact CE2-CE2 4.43Å; Y454-Y458 HydrophobicContact CG-CD2 4.45Å; Y454-Y458 VanDerWaalsContact O-CD2 3.29Å; Y454-Y458 WeakPolarHBondContact O-CD2 3.5Å; Y454-Y458 PolarHBondContact O-N 3.36Å; Y454-Y458 VanDerWaalsContact O-N 3.1Å; K456-Y458 PolarHBondContact O-N 3.28Å; Y458-Y460 PolarHBondContact O-N 3.26Å; Y458-Q461 WeakPolarHBondContact O-CA 3.48Å; Y458-Q461 WeakPolarHBondContact O-CB 3.4Å; Y458-Q461 PolarHBondContact O-N 3.49Å; Y458-T463 HydrophobicContact CD1-CG2 3.63Å; Y458-T463 HydrophobicContact CD2-CG2 3.73Å; Y458-T463 HydrophobicContact CE1-CG2 4.25Å; Y458-T463 HydrophobicContact CE2-CG2 4.37Å; Y458-T463 HydrophobicContact CG-CG2 3.34Å; Y458-H467 HydrophobicContact CE1-CB 4.16Å; Y458-H467 AromaticContact CE1-CG 3.79Å; Y458-H467 AromaticContact CE1-ND1 3.84Å; Y458-H467 HydrophobicContact CE2-CB 3.77Å; Y458-H467 AromaticContact CZ-CD2 3.8Å; Y458-H467 AromaticContact CZ-CG 3.57Å; Y458-H467 WeakPolarHBondContact OH-CB 2.98Å; Y458-H467 PolarHBondContact OH-CD2 3.04Å
459	S	98.5	Very high	95.5	Very high	29 Å²	29	33.7 Å²	33.7	20%	0.203	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	129.7	176.9	-77.2	0	0	0	0	112.4	L455 Q461	L455-S459 PolarHBondContact O-N 3.4Å; L455-S459 VanDerWaalsContact O-N 3.09Å; L455-S459 PolarHBondContact O-OG 3.11Å; S459-Q461 PolarHBondContact O-N 2.93Å
460	Y	98.6	Very high	95.8	Very high	80 Å²	80	36.3 Å²	36.3	31%	0.314	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	19.1	-175.9	-48.7	-75.3	0	0	0	115.3	V230 P292 W312 L353 Y458	V230-Y460 HydrophobicContact CB-CD1 4.25Å; V230-Y460 HydrophobicContact CB-CE1 3.78Å; V230-Y460 HydrophobicContact CG1-CE1 4.12Å; V230-Y460 HydrophobicContact CG2-CD1 4.35Å; V230-Y460 HydrophobicContact CG2-CE1 3.89Å; P292-Y460 VanDerWaalsContact CB-OH 3.27Å; P292-Y460 WeakPolarHBondContact CB-OH 3.31Å; W312-Y460 AromaticContact CH2-CD1 3.9Å; W312-Y460 HydrophobicContact CH2-CD1 3.9Å; W312-Y460 AromaticContact CH2-CE1 3.64Å; W312-Y460 HydrophobicContact CH2-CE1 3.64Å; W312-Y460 HydrophobicContact CZ2-CE1 4.34Å; W312-Y460 HydrophobicContact CZ3-CD1 4.39Å; W312-Y460 HydrophobicContact CZ3-CE1 4.43Å; L353-Y460 HydrophobicContact CD1-CD1 3.95Å; L353-Y460 HydrophobicContact CD1-CD2 4.14Å; L353-Y460 HydrophobicContact CD1-CE1 3.72Å; L353-Y460 HydrophobicContact CD1-CE2 3.94Å; L353-Y460 HydrophobicContact CD1-CG 4.15Å; L353-Y460 VanDerWaalsContact O-CA 3.3Å; L353-Y460 WeakPolarHBondContact O-CA 3.33Å; L353-Y460 PolarHBondContact O-N 2.88Å; Y458-Y460 PolarHBondContact O-N 3.26Å
461	Q	98.4	Very high	95.9	Very high	102 Å²	102	36.3 Å²	36.3	48%	0.477	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	-170.9	178.9	-60.9	176.8	59.4	0	0	110.4	K190 T355 Y458 S459	K190-Q461 WeakPolarHBondContact CE-O 3.38Å; K190-Q461 PolarHBondContact NZ-O 2.63Å; T355-Q461 PolarHBondContact N-O 3.31Å; Y458-Q461 WeakPolarHBondContact O-CA 3.48Å; Y458-Q461 WeakPolarHBondContact O-CB 3.4Å; Y458-Q461 PolarHBondContact O-N 3.49Å; S459-Q461 PolarHBondContact O-N 2.93Å
462	N	98.7	Very high	95.6	Very high	28 Å²	28	36.2 Å²	36.2	15%	0.15	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	157.7	177.5	-59.8	77.1	0	0	0	111.6	P187 T355 M356 E357	P187-N462 PolarHBondContact O-ND2 3.11Å; T355-N462 CarbonylContact O-C 3.53Å; T355-N462 WeakPolarHBondContact O-CA 3.27Å; T355-N462 WeakPolarHBondContact O-CB 3.5Å; M356-N462 PolarHBondContact O-ND2 3.33Å; E357-N462 HydrophobicContact CB-CB 4.05Å; E357-N462 HydrophobicContact CG-CB 4.49Å
463	T	98.6	Very high	95.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	159.1	-176.8	49.9	0	0	0	0	113.1	V354 T355 M356 E357 Y454 Y458 H467	V354-T463 HydrophobicContact CG1-CG2 3.62Å; T355-T463 PolarHBondContact O-N 2.65Å; M356-T463 CarbonylContact C-O 3.54Å; M356-T463 WeakPolarHBondContact CA-O 3.28Å; E357-T463 PolarHBondContact N-O 3.43Å; Y454-T463 HydrophobicContact CE2-CG2 3.66Å; Y454-T463 WeakPolarHBondContact OH-CB 3.5Å; Y454-T463 PolarHBondContact OH-OG1 3.24Å; Y458-T463 HydrophobicContact CD1-CG2 3.63Å; Y458-T463 HydrophobicContact CD2-CG2 3.73Å; Y458-T463 HydrophobicContact CE1-CG2 4.25Å; Y458-T463 HydrophobicContact CE2-CG2 4.37Å; Y458-T463 HydrophobicContact CG-CG2 3.34Å; T463-H467 HydrophobicContact CG2-CB 4.13Å
464	V	98.3	Very high	94.1	Very high	35 Å²	35	38 Å²	38	21%	0.212	19%	0.185	C	C	.	.			trans	-120.8	168.3	168.7	-63.8	0	0	0	0	108.5	E357 D361 S466 H467	E357-V464 HydrophobicContact CB-CG1 3.98Å; E357-V464 WeakPolarHBondContact OE2-CG1 3.21Å; D361-V464 WeakPolarHBondContact OD2-CA 3.43Å; V464-S466 VanDerWaalsContact C-N 3.27Å; V464-S466 PolarHBondContact O-N 3.48Å; V464-S466 VanDerWaalsContact O-N 3.11Å; V464-H467 PolarHBondContact N-ND1 3.35Å; V464-H467 WeakPolarHBondContact O-CB 3.25Å; V464-H467 PolarHBondContact O-N 2.64Å
465	N	94.2	Very high	92.8	Very high	12 Å²	12	38.2 Å²	38.2	6%	0.064	19%	0.186	C	C	.	.	H	α-helix	trans	-49	-43	-176.2	-64.5	-23.4	0	0	0	114.8	D361 W363 S410 H467 L468 W469	D361-N465 VanDerWaalsContact OD1-CG 3.23Å; D361-N465 PolarHBondContact OD1-ND2 2.73Å; D361-N465 PolarHBondContact OD1-OD1 3.41Å; D361-N465 VanDerWaalsContact OD1-OD1 3.09Å; D361-N465 PolarHBondContact OD2-N 3.37Å; D361-N465 PolarHBondContact OD2-OD1 2.65Å; W363-N465 WeakPolarHBondContact CZ2-OD1 3.08Å; W363-N465 PolarHBondContact NE1-OD1 2.9Å; S410-N465 WeakPolarHBondContact CB-ND2 3.32Å; S410-N465 PolarHBondContact OG-ND2 3.47Å; N465-H467 VanDerWaalsContact C-N 3.26Å; N465-H467 PolarHBondContact O-N 3.16Å; N465-L468 WeakPolarHBondContact O-CB 3.49Å; N465-L468 PolarHBondContact O-N 3.17Å; N465-L468 VanDerWaalsContact O-N 3.16Å; N465-W469 PolarHBondContact O-N 3.29Å
466	S	95.2	Very high	91.2	Very high	37 Å²	37	40.2 Å²	40.2	26%	0.259	20%	0.199	S	C	.	.	H	α-helix	trans	-62	-33	-176.7	62.2	0	0	0	0	113.1	V464 L468 W469 E470	V464-S466 VanDerWaalsContact C-N 3.27Å; V464-S466 PolarHBondContact O-N 3.48Å; V464-S466 VanDerWaalsContact O-N 3.11Å; S466-L468 VanDerWaalsContact C-N 3.29Å; S466-L468 PolarHBondContact O-N 2.84Å; S466-W469 PolarHBondContact O-N 3.3Å; S466-E470 WeakPolarHBondContact O-CB 3.3Å; S466-E470 VanDerWaalsContact O-CG 3.24Å; S466-E470 WeakPolarHBondContact O-CG 3.27Å; S466-E470 PolarHBondContact O-N 3.08Å
467	H	96.8	Very high	89.4	Confident	50 Å²	50	38.6 Å²	38.6	23%	0.231	20%	0.196	C	C	.	.	H	α-helix	trans	-63	-35	178.4	-68.4	154.8	0	0	0	112.7	Y454 Y458 T463 V464 N465 S471	Y454-H467 HydrophobicContact CE2-CB 4.45Å; Y458-H467 HydrophobicContact CE1-CB 4.16Å; Y458-H467 AromaticContact CE1-CG 3.79Å; Y458-H467 AromaticContact CE1-ND1 3.84Å; Y458-H467 HydrophobicContact CE2-CB 3.77Å; Y458-H467 AromaticContact CZ-CD2 3.8Å; Y458-H467 AromaticContact CZ-CG 3.57Å; Y458-H467 WeakPolarHBondContact OH-CB 2.98Å; Y458-H467 PolarHBondContact OH-CD2 3.04Å; T463-H467 HydrophobicContact CG2-CB 4.13Å; V464-H467 PolarHBondContact N-ND1 3.35Å; V464-H467 WeakPolarHBondContact O-CB 3.25Å; V464-H467 PolarHBondContact O-N 2.64Å; N465-H467 VanDerWaalsContact C-N 3.26Å; N465-H467 PolarHBondContact O-N 3.16Å; H467-S471 PolarHBondContact O-N 3.17Å; H467-S471 PolarHBondContact O-OG 2.86Å
468	L	96.6	Very high	87.3	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-68.3	-48.4	174.6	176.7	65.9	0	0	0	110.7	W363 L364 F368 I451 Y454 N465 S466 E470 S471 L472	W363-L468 HydrophobicContact CH2-CD2 3.73Å; W363-L468 HydrophobicContact CZ2-CD2 4.37Å; W363-L468 HydrophobicContact CZ3-CD2 4.5Å; L364-L468 HydrophobicContact CD2-CB 4.34Å; L364-L468 HydrophobicContact CD2-CD2 3.86Å; F368-L468 HydrophobicContact CE2-CD1 4.07Å; F368-L468 HydrophobicContact CE2-CD2 3.56Å; F368-L468 HydrophobicContact CE2-CG 4.46Å; F368-L468 HydrophobicContact CZ-CD1 3.73Å; F368-L468 HydrophobicContact CZ-CD2 3.82Å; F368-L468 HydrophobicContact CZ-CG 4.42Å; I451-L468 HydrophobicContact CD1-CD1 3.82Å; Y454-L468 HydrophobicContact CD1-CD1 4.34Å; Y454-L468 HydrophobicContact CD2-CB 4.33Å; Y454-L468 HydrophobicContact CD2-CD1 4.14Å; Y454-L468 HydrophobicContact CE2-CB 4.1Å; Y454-L468 HydrophobicContact CE2-CD1 4.36Å; Y454-L468 HydrophobicContact CG-CD1 4.11Å; N465-L468 WeakPolarHBondContact O-CB 3.49Å; N465-L468 PolarHBondContact O-N 3.17Å; N465-L468 VanDerWaalsContact O-N 3.16Å; S466-L468 VanDerWaalsContact C-N 3.29Å; S466-L468 PolarHBondContact O-N 2.84Å; L468-E470 VanDerWaalsContact C-N 3.33Å; L468-E470 PolarHBondContact O-N 3.18Å; L468-S471 WeakPolarHBondContact O-CB 3.02Å; L468-S471 PolarHBondContact O-N 2.91Å; L468-L472 HydrophobicContact CD1-CD1 3.84Å; L468-L472 HydrophobicContact CD1-CG 4.38Å; L468-L472 HydrophobicContact CG-CD1 3.88Å; L468-L472 PolarHBondContact O-N 3.24Å
469	W	94.4	Very high	85	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-61.7	-40.9	179.2	-52.1	146.9	0	0	0	112.3	W363 L438 N465 S466 S471 L472 T473 V512 K513 M516 T520	W363-W469 AromaticContact CH2-CH2 3.45Å; W363-W469 HydrophobicContact CH2-CH2 3.45Å; W363-W469 VanDerWaalsContact CH2-CH2 3.45Å; W363-W469 AromaticContact CH2-CZ2 3.67Å; W363-W469 HydrophobicContact CH2-CZ2 3.67Å; W363-W469 HydrophobicContact CH2-CZ3 4.43Å; W363-W469 HydrophobicContact CZ2-CH2 4.13Å; W363-W469 AromaticContact CZ2-CZ2 3.86Å; W363-W469 HydrophobicContact CZ2-CZ2 3.86Å; W363-W469 HydrophobicContact CZ3-CH2 4.41Å; L438-W469 HydrophobicContact CD2-CE3 4.36Å; L438-W469 HydrophobicContact CD2-CZ3 3.68Å; N465-W469 PolarHBondContact O-N 3.29Å; S466-W469 PolarHBondContact O-N 3.3Å; W469-S471 PolarHBondContact O-N 3.28Å; W469-L472 HydrophobicContact CE3-CD1 4.12Å; W469-L472 HydrophobicContact CZ3-CD1 4.16Å; W469-L472 PolarHBondContact O-N 2.92Å; W469-T473 VanDerWaalsContact O-CB 3.32Å; W469-T473 WeakPolarHBondContact O-CB 3.08Å; W469-T473 PolarHBondContact O-N 2.97Å; W469-T473 PolarHBondContact O-OG1 3.17Å; W469-V512 HydrophobicContact CE3-CG1 4.09Å; W469-K513 HydrophobicContact CB-CB 3.9Å; W469-K513 HydrophobicContact CB-CG 4.17Å; W469-K513 HydrophobicContact CG-CB 4.47Å; W469-K513 HydrophobicContact CG-CG 4.45Å; W469-M516 HydrophobicContact CD2-CB 3.78Å; W469-M516 HydrophobicContact CD2-CG 4.35Å; W469-M516 HydrophobicContact CE3-CB 3.86Å; W469-M516 HydrophobicContact CE3-CG 3.93Å; W469-M516 HydrophobicContact CH2-CB 3.49Å; W469-M516 VanDerWaalsContact CH2-CB 3.49Å; W469-M516 HydrophobicContact CH2-CE 3.69Å; W469-M516 HydrophobicContact CH2-CG 3.79Å; W469-M516 HydrophobicContact CZ2-CB 3.39Å; W469-M516 HydrophobicContact CZ2-CE 4.43Å; W469-M516 HydrophobicContact CZ2-CG 4.22Å; W469-M516 HydrophobicContact CZ3-CB 3.73Å; W469-M516 HydrophobicContact CZ3-CE 4.19Å; W469-M516 HydrophobicContact CZ3-CG 3.65Å; W469-T520 HydrophobicContact CH2-CG2 4.39Å; W469-T520 HydrophobicContact CZ2-CG2 3.74Å
470	E	91.6	Very high	82.7	Confident	84 Å²	84	43.3 Å²	43.3	39%	0.393	24%	0.241	S	C	.	.	H	α-helix	trans	-59.1	-36	173	-75.1	168.5	-151.6	0	0	112.5	S466 L468	S466-E470 WeakPolarHBondContact O-CB 3.3Å; S466-E470 VanDerWaalsContact O-CG 3.24Å; S466-E470 WeakPolarHBondContact O-CG 3.27Å; S466-E470 PolarHBondContact O-N 3.08Å; L468-E470 VanDerWaalsContact C-N 3.33Å; L468-E470 PolarHBondContact O-N 3.18Å
471	S	90.8	Very high	80.3	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-77.2	-29.5	-179.4	-57.8	0	0	0	0	112.8	G450 H467 L468 W469	G450-S471 WeakPolarHBondContact CA-O 3.17Å; H467-S471 PolarHBondContact O-N 3.17Å; H467-S471 PolarHBondContact O-OG 2.86Å; L468-S471 WeakPolarHBondContact O-CB 3.02Å; L468-S471 PolarHBondContact O-N 2.91Å; W469-S471 PolarHBondContact O-N 3.28Å
472	L	88.9	Confident	77.8	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.01	28%	0.276	C	S	.	.	H	α-helix	trans	-87.4	-14.3	176	-69.2	167.2	0	0	0	113	L438 L442 F447 I451 L468 W469 V512	L438-L472 HydrophobicContact CD2-CD1 3.74Å; L442-L472 HydrophobicContact CD1-CB 4.35Å; L442-L472 HydrophobicContact CD1-CD2 4.25Å; F447-L472 HydrophobicContact CD2-CD2 4.12Å; F447-L472 HydrophobicContact CE2-CD2 4.47Å; I451-L472 HydrophobicContact CD1-CD2 4.29Å; I451-L472 HydrophobicContact CG1-CD2 4.45Å; L468-L472 HydrophobicContact CD1-CD1 3.84Å; L468-L472 HydrophobicContact CD1-CG 4.38Å; L468-L472 HydrophobicContact CG-CD1 3.88Å; L468-L472 PolarHBondContact O-N 3.24Å; W469-L472 HydrophobicContact CE3-CD1 4.12Å; W469-L472 HydrophobicContact CZ3-CD1 4.16Å; W469-L472 PolarHBondContact O-N 2.92Å; L472-V512 HydrophobicContact CB-CG1 4.13Å
473	T	85.4	Confident	75.5	Confident	47 Å²	47	54.8 Å²	54.8	29%	0.288	31%	0.305	S	S	.	.	S	Bend	trans	-84.3	132.4	174.6	-56.5	0	0	0	0	110.3	W469	W469-T473 VanDerWaalsContact O-CB 3.32Å; W469-T473 WeakPolarHBondContact O-CB 3.08Å; W469-T473 PolarHBondContact O-N 2.97Å; W469-T473 PolarHBondContact O-OG1 3.17Å
474	D	67.2	Low	73.1	Confident	86 Å²	86	56.8 Å²	56.8	46%	0.46	33%	0.326	S	S	.	.			trans	47.8	66	178.7	-167.3	12	0	0	0	115.3	C476 S477	D474-C476 PolarHBondContact O-N 3.01Å; D474-C476 PolarHBondContact OD1-N 2.85Å; D474-S477 PolarHBondContact O-N 2.91Å; D474-S477 PolarHBondContact O-OG 3.46Å; D474-S477 PolarHBondContact OD1-N 3.03Å; D474-S477 VanDerWaalsContact OD2-CB 3.3Å; D474-S477 WeakPolarHBondContact OD2-CB 3.35Å
475	V	70.3	Confident	70.9	Confident	7 Å²	7	65 Å²	65	4%	0.042	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-9.8	179.2	-172.7	0	0	0	0	113.7	I449 H488	I449-V475 HydrophobicContact CB-CG1 3.58Å; I449-V475 HydrophobicContact CD1-CG1 4.34Å; I449-V475 HydrophobicContact CG2-CG1 3.23Å; V475-H488 PolarHBondContact O-CE1 2.82Å
476	C	63	Low	68.7	Low	41 Å²	41	71 Å²	71	28%	0.277	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120	16.3	-176.6	-72.6	0	0	0	0	114.9	D474 C492	D474-C476 PolarHBondContact O-N 3.01Å; D474-C476 PolarHBondContact OD1-N 2.85Å; C476-C492 WeakPolarHBondContact CA-SG 3.45Å; C476-C492 HydrophobicContact CB-CB 3.83Å; C476-C492 WeakPolarHBondContact CB-SG 3.13Å; C476-C492 WeakPolarHBondContact SG-CA 3.3Å; C476-C492 WeakPolarHBondContact SG-CB 3.44Å; C476-C492 CovalentContact SG-SG 2.06Å; C476-C492 PolarHBondContact SG-SG 2.62Å
477	S	58.5	Low	66.8	Low	29 Å²	29	76.9 Å²	76.9	20%	0.203	41%	0.405	C	S	.	.			trans	-65.4	149.2	173.7	38.6	0	0	0	0	112.8	D474 D479 A480	D474-S477 PolarHBondContact O-N 2.91Å; D474-S477 PolarHBondContact O-OG 3.46Å; D474-S477 PolarHBondContact OD1-N 3.03Å; D474-S477 VanDerWaalsContact OD2-CB 3.3Å; D474-S477 WeakPolarHBondContact OD2-CB 3.35Å; S477-D479 PolarHBondContact O-N 3.27Å; S477-D479 VanDerWaalsContact O-N 3.11Å; S477-A480 PolarHBondContact O-N 2.99Å
478	S	50.6	Low	64.9	Low	91 Å²	91	76 Å²	76	64%	0.636	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-64	-15.9	-169.8	51.5	0	0	0	0	116	A480	S478-A480 PolarHBondContact O-N 3.11Å
479	D	50.7	Low	63.1	Low	147 Å²	147	78.4 Å²	78.4	79%	0.786	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-78.6	-2.2	-175.1	-64	-11.4	0	0	0	113.1	S477	S477-D479 PolarHBondContact O-N 3.27Å; S477-D479 VanDerWaalsContact O-N 3.11Å
480	A	49.2	Very low	61.4	Low	31 Å²	31	83 Å²	83	26%	0.256	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-105.5	7.7	-174.2	0	0	0	0	0	114.9	S477 S478 D482	S477-A480 PolarHBondContact O-N 2.99Å; S478-A480 PolarHBondContact O-N 3.11Å; A480-D482 VanDerWaalsContact C-N 3.31Å; A480-D482 PolarHBondContact O-N 3.47Å
481	L	47.9	Very low	60.2	Low	129 Å²	129	81.1 Å²	81.1	68%	0.675	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-7.4	-168.3	-83.2	167	0	0	0	116.4
482	D	47.5	Very low	58.9	Low	160 Å²	160	82.1 Å²	82.1	86%	0.856	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.5	-5.2	-164.4	-107.4	-8.1	0	0	0	118.3	A480	A480-D482 VanDerWaalsContact C-N 3.31Å; A480-D482 PolarHBondContact O-N 3.47Å
483	E	50.3	Low	57.5	Low	162 Å²	162	85.4 Å²	85.4	76%	0.757	46%	0.463	S	S	*	.	S	Bend	trans	-139.5	13.9	-172.9	-67.7	-170.4	170.2	0	0	117.5	K456	K456-E483 PolarHBondContact NZ-O 2.91Å
484	G	46.7	Very low	56.2	Low	42 Å²	42	88.7 Å²	88.7	43%	0.433	47%	0.473	S	S	.	.	S	Bend	trans	-123.9	128.3	175.8	0	0	0	0	0	113.4
485	R	52.7	Low	55.9	Low	207 Å²	207	90.4 Å²	90.4	78%	0.781	47%	0.473	S	S	*	.			trans	-50	149.2	176.8	-71.6	177.5	176.3	173.6	2.1	112.4	K487 H488	R485-K487 PolarHBondContact O-N 3.14Å; R485-H488 PolarHBondContact O-N 3.29Å
486	L	48.8	Very low	55.1	Low	140 Å²	140	99.2 Å²	99.2	73%	0.733	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-0.6	-41	168.1	-78	147.7	0	0	0	120.4	H488 A489 E490	L486-H488 PolarHBondContact O-N 2.94Å; L486-A489 PolarHBondContact O-N 2.77Å; L486-E490 WeakPolarHBondContact O-CB 3.42Å; L486-E490 WeakPolarHBondContact O-CG 3.45Å; L486-E490 PolarHBondContact O-N 3Å
487	K	54.9	Low	54.3	Low	159 Å²	159	104.5 Å²	104.5	69%	0.691	54%	0.536	S	S	*	.	H	α-helix	trans	-57.2	-41.9	179.4	-74.8	-174.1	176.7	-178	0	113.5	R485 F491	R485-K487 PolarHBondContact O-N 3.14Å; K487-F491 VanDerWaalsContact O-CB 3.28Å; K487-F491 WeakPolarHBondContact O-CB 3.36Å; K487-F491 PolarHBondContact O-N 3.18Å
488	H	57.5	Low	53.6	Low	31 Å²	31	110.2 Å²	110.2	14%	0.144	56%	0.559	C	S	.	*	H	α-helix	trans	-66.6	-47.4	-178.6	-173.4	80.5	0	0	0	112	I449 V475 R485 L486 F491 C492	I449-H488 VanDerWaalsContact CG2-CE1 3.46Å; I449-H488 WeakPolarHBondContact CG2-CE1 3.36Å; I449-H488 WeakPolarHBondContact CG2-ND1 3.42Å; V475-H488 PolarHBondContact O-CE1 2.82Å; R485-H488 PolarHBondContact O-N 3.29Å; L486-H488 PolarHBondContact O-N 2.94Å; H488-F491 PolarHBondContact O-N 3.49Å; H488-C492 PolarHBondContact O-N 3.4Å
489	A	57.2	Low	53.4	Low	51 Å²	51	111.5 Å²	111.5	42%	0.421	57%	0.569	S	S	.	*	H	α-helix	trans	-65	-39.7	177.1	0	0	0	0	0	112.1	L486 S493	L486-A489 PolarHBondContact O-N 2.77Å; A489-S493 VanDerWaalsContact O-CB 3.22Å; A489-S493 WeakPolarHBondContact O-CB 3.32Å; A489-S493 PolarHBondContact O-N 3.01Å; A489-S493 PolarHBondContact O-OG 3.32Å
490	E	60.8	Low	53.2	Low	97 Å²	97	107.1 Å²	107.1	45%	0.453	56%	0.558	S	S	.	*	H	α-helix	trans	-64.2	-44	173	-81.9	-167	-160.3	0	0	112.6	L486 S493 K494	L486-E490 WeakPolarHBondContact O-CB 3.42Å; L486-E490 WeakPolarHBondContact O-CG 3.45Å; L486-E490 PolarHBondContact O-N 3Å; E490-S493 PolarHBondContact O-N 2.89Å; E490-K494 WeakPolarHBondContact O-CB 3.35Å; E490-K494 VanDerWaalsContact O-CG 3.29Å; E490-K494 WeakPolarHBondContact O-CG 3.36Å; E490-K494 PolarHBondContact O-N 3.07Å; E490-K494 IonicContact OE2-NZ 2.89Å; E490-K494 PolarHBondContact OE2-NZ 2.04Å
491	F	64.5	Low	52.8	Low	45 Å²	45	111.9 Å²	111.9	20%	0.197	59%	0.589	C	S	.	*	H	α-helix	trans	-62.1	-52.6	179.2	175.8	-98.6	0	0	0	111.3	E445 A446 I449 K487 H488 S493 K494 R495	E445-F491 HydrophobicContact CB-CD2 4.12Å; E445-F491 HydrophobicContact CB-CE2 3.86Å; A446-F491 HydrophobicContact CB-CE1 4.5Å; A446-F491 HydrophobicContact CB-CZ 4.07Å; I449-F491 HydrophobicContact CD1-CB 4.17Å; I449-F491 HydrophobicContact CD1-CD1 3.68Å; I449-F491 HydrophobicContact CD1-CE1 4.23Å; I449-F491 HydrophobicContact CD1-CG 3.93Å; K487-F491 VanDerWaalsContact O-CB 3.28Å; K487-F491 WeakPolarHBondContact O-CB 3.36Å; K487-F491 PolarHBondContact O-N 3.18Å; H488-F491 PolarHBondContact O-N 3.49Å; F491-S493 PolarHBondContact O-N 3.44Å; F491-K494 PolarHBondContact O-N 2.81Å; F491-K494 VanDerWaalsContact O-N 3.14Å; F491-R495 WeakPolarHBondContact O-CB 3.37Å; F491-R495 PolarHBondContact O-N 3.41Å
492	C	64	Low	52.7	Low	20 Å²	20	109.4 Å²	109.4	14%	0.135	58%	0.583	C	S	.	*	H	α-helix	trans	-65.4	-28.3	179.7	-67.2	0	0	0	0	112.6	C476 H488	C476-C492 WeakPolarHBondContact CA-SG 3.45Å; C476-C492 HydrophobicContact CB-CB 3.83Å; C476-C492 WeakPolarHBondContact CB-SG 3.13Å; C476-C492 WeakPolarHBondContact SG-CA 3.3Å; C476-C492 WeakPolarHBondContact SG-CB 3.44Å; C476-C492 CovalentContact SG-SG 2.06Å; C476-C492 PolarHBondContact SG-SG 2.62Å; H488-C492 PolarHBondContact O-N 3.4Å
493	S	59.8	Low	53	Low	71 Å²	71	109.8 Å²	109.8	50%	0.497	58%	0.577	S	S	.	*	H	α-helix	trans	-71.7	-43.4	171.2	-60.5	0	0	0	0	112.5	A489 E490 F491 K496	A489-S493 VanDerWaalsContact O-CB 3.22Å; A489-S493 WeakPolarHBondContact O-CB 3.32Å; A489-S493 PolarHBondContact O-N 3.01Å; A489-S493 PolarHBondContact O-OG 3.32Å; E490-S493 PolarHBondContact O-N 2.89Å; F491-S493 PolarHBondContact O-N 3.44Å; S493-K496 PolarHBondContact O-N 3.12Å
494	K	59	Low	53.3	Low	116 Å²	116	103.9 Å²	103.9	50%	0.504	55%	0.548	S	S	.	.	H	α-helix	trans	-68.8	-34.8	177.5	-75.1	169.9	-177.9	159.5	0	112.7	E490 F491 K496 L497 Q498	E490-K494 WeakPolarHBondContact O-CB 3.35Å; E490-K494 VanDerWaalsContact O-CG 3.29Å; E490-K494 WeakPolarHBondContact O-CG 3.36Å; E490-K494 PolarHBondContact O-N 3.07Å; E490-K494 IonicContact OE2-NZ 2.89Å; E490-K494 PolarHBondContact OE2-NZ 2.04Å; F491-K494 PolarHBondContact O-N 2.81Å; F491-K494 VanDerWaalsContact O-N 3.14Å; K494-K496 VanDerWaalsContact C-N 3.27Å; K494-K496 PolarHBondContact O-N 3.19Å; K494-L497 WeakPolarHBondContact O-CA 3.49Å; K494-L497 WeakPolarHBondContact O-CB 3.4Å; K494-L497 PolarHBondContact O-N 2.93Å; K494-Q498 PolarHBondContact O-N 3.28Å
495	R	59.3	Low	53.4	Low	122 Å²	122	111.6 Å²	111.6	46%	0.46	57%	0.565	S	S	.	*	H	α-helix	trans	-61.3	-33.8	175	-172.7	176.3	175.9	-169.9	-2.5	112.2	F491 L497	F491-R495 WeakPolarHBondContact O-CB 3.37Å; F491-R495 PolarHBondContact O-N 3.41Å; R495-L497 PolarHBondContact O-N 3.42Å
496	K	53.3	Low	53.1	Low	193 Å²	193	103.5 Å²	103.5	84%	0.839	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-15.8	172.5	-72.3	-179.1	179	178.9	0	113.6	S493 K494	S493-K496 PolarHBondContact O-N 3.12Å; K494-K496 VanDerWaalsContact C-N 3.27Å; K494-K496 PolarHBondContact O-N 3.19Å
497	L	46.5	Very low	52.8	Low	152 Å²	152	105.4 Å²	105.4	80%	0.796	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.8	-18.8	-175.9	-85.2	142.8	0	0	0	114.2	K494 R495	K494-L497 WeakPolarHBondContact O-CA 3.49Å; K494-L497 WeakPolarHBondContact O-CB 3.4Å; K494-L497 PolarHBondContact O-N 2.93Å; R495-L497 PolarHBondContact O-N 3.42Å
498	Q	43.9	Very low	52.7	Low	148 Å²	148	103.1 Å²	103.1	69%	0.692	55%	0.547	S	S	*	.			trans	-89.1	117.3	179.5	-75.8	-174.9	-11.3	0	0	112	K494	K494-Q498 PolarHBondContact O-N 3.28Å
499	S	47	Very low	52.9	Low	119 Å²	119	110.1 Å²	110.1	83%	0.832	58%	0.579	S	S	*	*			trans	-127.1	114.7	175.6	168.2	0	0	0	0	108.4
500	G	47.1	Very low	53.4	Low	55 Å²	55	110.5 Å²	110.5	57%	0.567	58%	0.578	S	S	*	*	S	Bend	trans	143.2	-57.8	160.6	0	0	0	0	0	116.8
501	S	40.3	Very low	54.5	Low	130 Å²	130	109.4 Å²	109.4	91%	0.909	58%	0.575	S	S	*	*	S	Bend	trans	-98.3	-7.1	-161.7	57.8	0	0	0	0	116.3
502	S	45.7	Very low	55.8	Low	77 Å²	77	107.4 Å²	107.4	54%	0.538	57%	0.566	S	S	.	*	S	Bend	trans	-111.4	6.6	-179.8	56.1	0	0	0	0	113.7	W504	S502-W504 PolarHBondContact O-N 3.04Å
503	K	53.6	Low	57.2	Low	169 Å²	169	110.4 Å²	110.4	74%	0.735	58%	0.577	S	S	*	*			trans	-75.1	110.7	-179.8	-91.4	-172.7	169.7	-169	0	110.2	Y505	K503-Y505 PolarHBondContact O-N 2.97Å
504	W	56.2	Low	58.8	Low	37 Å²	37	109.8 Å²	109.8	14%	0.14	57%	0.57	C	S	.	*			trans	-52.6	134	155	-69.3	88.2	0	0	0	108.1	F441 S502 S506 P561 R574 L576	F441-W504 HydrophobicContact CB-CZ2 4.23Å; F441-W504 AromaticContact CD2-CD2 3.83Å; F441-W504 HydrophobicContact CD2-CD2 3.83Å; F441-W504 AromaticContact CD2-CE2 3.33Å; F441-W504 HydrophobicContact CD2-CE3 4.07Å; F441-W504 AromaticContact CD2-CH2 3.56Å; F441-W504 HydrophobicContact CD2-CH2 3.56Å; F441-W504 AromaticContact CD2-CZ2 3.26Å; F441-W504 HydrophobicContact CD2-CZ2 3.26Å; F441-W504 AromaticContact CD2-CZ3 3.93Å; F441-W504 HydrophobicContact CD2-CZ3 3.93Å; F441-W504 AromaticContact CD2-NE1 3.82Å; F441-W504 AromaticContact CE2-CD2 3.54Å; F441-W504 HydrophobicContact CE2-CD2 3.54Å; F441-W504 AromaticContact CE2-CE2 3.52Å; F441-W504 AromaticContact CE2-CE3 3.82Å; F441-W504 HydrophobicContact CE2-CE3 3.82Å; F441-W504 HydrophobicContact CE2-CG 4.09Å; F441-W504 HydrophobicContact CE2-CH2 4.18Å; F441-W504 AromaticContact CE2-CZ2 3.92Å; F441-W504 HydrophobicContact CE2-CZ2 3.92Å; F441-W504 HydrophobicContact CE2-CZ3 4.11Å; F441-W504 AromaticContact CE2-NE1 3.85Å; F441-W504 HydrophobicContact CG-CZ2 4.08Å; F441-W504 PolarHBondContact O-NE1 3.12Å; S502-W504 PolarHBondContact O-N 3.04Å; W504-S506 PolarHBondContact O-N 3.46Å; W504-P561 HydrophobicContact CH2-CB 3.55Å; W504-P561 HydrophobicContact CZ2-CB 4.46Å; W504-P561 HydrophobicContact CZ3-CB 3.67Å; W504-R574 HydrophobicContact CD2-CB 4.16Å; W504-R574 HydrophobicContact CE3-CB 3.87Å; W504-R574 HydrophobicContact CH2-CB 3.93Å; W504-R574 HydrophobicContact CH2-CG 4.07Å; W504-R574 HydrophobicContact CZ2-CB 4.21Å; W504-R574 HydrophobicContact CZ2-CG 4.16Å; W504-R574 HydrophobicContact CZ3-CB 3.78Å; W504-R574 HydrophobicContact CZ3-CG 4.43Å; W504-L576 HydrophobicContact CE3-CB 4.2Å
505	Y	49.2	Very low	60.5	Low	204 Å²	204	104.4 Å²	104.4	80%	0.8	55%	0.547	S	S	*	.	S	Bend	trans	-71	80.9	177.6	-128.2	-89.7	0	0	0	108.8	K503	K503-Y505 PolarHBondContact O-N 2.97Å
506	S	46.8	Very low	62.3	Low	37 Å²	37	98.7 Å²	98.7	26%	0.259	53%	0.525	S	S	.	.			trans	-157.4	124.1	-179.2	164.5	0	0	0	0	106.5	W504 D508 K578	W504-S506 PolarHBondContact O-N 3.46Å; S506-D508 PolarHBondContact O-N 3.28Å; S506-D508 PolarHBondContact OG-N 3.11Å; S506-D508 PolarHBondContact OG-O 2.67Å; S506-K578 PolarHBondContact OG-NZ 3.47Å
507	D	43	Very low	64.4	Low	180 Å²	180	91.1 Å²	91.1	96%	0.963	49%	0.494	S	S	*	.	S	Bend	trans	-70.5	-8.6	177.3	-74.3	-39.7	0	0	0	112.9
508	D	53.2	Low	66.9	Low	112 Å²	112	85 Å²	85	60%	0.599	46%	0.463	S	S	*	.	S	Bend	trans	-103.3	149.1	-178.5	-57.3	-43.7	0	0	0	113.5	S506	S506-D508 PolarHBondContact O-N 3.28Å; S506-D508 PolarHBondContact OG-N 3.11Å; S506-D508 PolarHBondContact OG-O 2.67Å
509	E	60.9	Low	69.5	Low	178 Å²	178	78 Å²	78	83%	0.832	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-59.7	137.5	165.9	-76.1	-173.5	157.1	0	0	110.7	D511	E509-D511 PolarHBondContact O-N 2.59Å
510	P	67.8	Low	71.9	Confident	59 Å²	59	72.3 Å²	72.3	38%	0.383	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-71.4	121.6	-174.8	27	-33	0	0	0	112	F441 V512	F441-P510 HydrophobicContact CE1-CB 3.79Å; F441-P510 HydrophobicContact CZ-CB 3.66Å; P510-V512 PolarHBondContact O-N 2.85Å
511	D	84.3	Confident	74.4	Confident	74 Å²	74	74 Å²	74	40%	0.396	39%	0.386	S	S	.	.			trans	-87.4	96.5	171.7	-178.6	-9.1	0	0	0	110	E509 K513 T514 I515	E509-D511 PolarHBondContact O-N 2.59Å; D511-K513 VanDerWaalsContact C-N 3.25Å; D511-K513 PolarHBondContact O-N 2.91Å; D511-K513 WeakPolarHBondContact OD1-CB 3.48Å; D511-K513 PolarHBondContact OD1-N 3.37Å; D511-T514 VanDerWaalsContact CG-OG1 3.24Å; D511-T514 PolarHBondContact O-N 2.67Å; D511-T514 PolarHBondContact OD1-N 3.34Å; D511-T514 WeakPolarHBondContact OD2-CB 3.38Å; D511-T514 PolarHBondContact OD2-OG1 3Å; D511-I515 WeakPolarHBondContact O-CG1 3.3Å; D511-I515 PolarHBondContact O-N 3.33Å; D511-I515 VanDerWaalsContact O-N 3.12Å
512	V	91.1	Very high	77.1	Confident	2 Å²	2	69.7 Å²	69.7	1%	0.012	35%	0.352	C	S	.	.	H	α-helix	trans	-58.7	-39.4	179.6	175.6	0	0	0	0	111.2	L438 L442 W469 L472 P510 I515 M516	L438-V512 HydrophobicContact CD1-CG1 3.99Å; L438-V512 HydrophobicContact CD2-CG1 4.21Å; L442-V512 HydrophobicContact CD1-CG2 4.3Å; L442-V512 HydrophobicContact CD2-CG2 3.8Å; W469-V512 HydrophobicContact CE3-CG1 4.09Å; L472-V512 HydrophobicContact CB-CG1 4.13Å; P510-V512 PolarHBondContact O-N 2.85Å; V512-I515 PolarHBondContact O-N 3.42Å; V512-M516 HydrophobicContact CG1-CG 3.96Å; V512-M516 WeakPolarHBondContact O-CB 3.34Å; V512-M516 VanDerWaalsContact O-CG 3.29Å; V512-M516 WeakPolarHBondContact O-CG 3.36Å; V512-M516 PolarHBondContact O-N 3.18Å
513	K	92.9	Very high	79.4	Confident	84 Å²	84	68.5 Å²	68.5	37%	0.365	34%	0.338	S	S	.	.	H	α-helix	trans	-63.2	-50.7	-179	-177.5	-176	179.8	-59	0	110.4	W469 D511 I515 M516 D517	W469-K513 HydrophobicContact CB-CB 3.9Å; W469-K513 HydrophobicContact CB-CG 4.17Å; W469-K513 HydrophobicContact CG-CB 4.47Å; W469-K513 HydrophobicContact CG-CG 4.45Å; D511-K513 VanDerWaalsContact C-N 3.25Å; D511-K513 PolarHBondContact O-N 2.91Å; D511-K513 WeakPolarHBondContact OD1-CB 3.48Å; D511-K513 PolarHBondContact OD1-N 3.37Å; K513-I515 VanDerWaalsContact C-N 3.29Å; K513-I515 PolarHBondContact O-N 2.96Å; K513-M516 PolarHBondContact O-N 2.94Å; K513-D517 IonicContact NZ-OD2 3.67Å; K513-D517 PolarHBondContact NZ-OD2 3.46Å; K513-D517 VanDerWaalsContact O-CB 3.26Å; K513-D517 WeakPolarHBondContact O-CB 3.22Å; K513-D517 PolarHBondContact O-N 3.11Å
514	T	93.3	Very high	81.5	Confident	58 Å²	58	60.4 Å²	60.4	36%	0.356	30%	0.303	S	S	.	.	H	α-helix	trans	-63.7	-35.7	-179.4	-63.2	0	0	0	0	111.9	D511	D511-T514 VanDerWaalsContact CG-OG1 3.24Å; D511-T514 PolarHBondContact O-N 2.67Å; D511-T514 PolarHBondContact OD1-N 3.34Å; D511-T514 WeakPolarHBondContact OD2-CB 3.38Å; D511-T514 PolarHBondContact OD2-OG1 3Å
515	I	95.4	Very high	83.5	Confident	3 Å²	3	58.7 Å²	58.7	2%	0.015	30%	0.296	C	S	.	.	H	α-helix	trans	-64.7	-55.8	174	-66.1	166.2	0	0	0	110.1	F441 D511 V512 K513 D517 T518 Q559 L576	F441-I515 HydrophobicContact CD1-CD1 4.48Å; F441-I515 HydrophobicContact CE1-CD1 3.61Å; F441-I515 HydrophobicContact CE2-CD1 4.18Å; F441-I515 HydrophobicContact CZ-CD1 3.43Å; F441-I515 VanDerWaalsContact CZ-CD1 3.43Å; D511-I515 WeakPolarHBondContact O-CG1 3.3Å; D511-I515 PolarHBondContact O-N 3.33Å; D511-I515 VanDerWaalsContact O-N 3.12Å; V512-I515 PolarHBondContact O-N 3.42Å; K513-I515 VanDerWaalsContact C-N 3.29Å; K513-I515 PolarHBondContact O-N 2.96Å; I515-D517 PolarHBondContact O-N 3.4Å; I515-T518 WeakPolarHBondContact O-CB 3.11Å; I515-T518 PolarHBondContact O-N 3.21Å; I515-T518 VanDerWaalsContact O-N 3.16Å; I515-T518 PolarHBondContact O-OG1 3.33Å; I515-Q559 HydrophobicContact CB-CB 4.29Å; I515-Q559 HydrophobicContact CG1-CB 3.86Å; I515-Q559 HydrophobicContact CG1-CG 4.47Å; I515-Q559 HydrophobicContact CG2-CB 4.27Å; I515-L576 HydrophobicContact CD1-CD1 4.46Å; I515-L576 HydrophobicContact CD1-CD2 4.2Å
516	M	97.7	Very high	85.9	Confident	1 Å²	1	49 Å²	49	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-75.2	-27.1	-169.2	-63.1	-53.6	-61	0	0	113.8	I434 L438 W469 V512 K513 T518 W519 T520	I434-M516 HydrophobicContact CB-CE 4.08Å; I434-M516 HydrophobicContact CD1-CE 4.15Å; I434-M516 HydrophobicContact CG1-CE 4.19Å; L438-M516 HydrophobicContact CB-CE 4.3Å; L438-M516 HydrophobicContact CB-SD 4.06Å; L438-M516 HydrophobicContact CD1-CG 4.08Å; L438-M516 HydrophobicContact CD1-SD 3.9Å; L438-M516 HydrophobicContact CD2-CE 4.2Å; L438-M516 HydrophobicContact CD2-CG 3.88Å; L438-M516 HydrophobicContact CD2-SD 4Å; L438-M516 HydrophobicContact CG-SD 4.21Å; W469-M516 HydrophobicContact CD2-CB 3.78Å; W469-M516 HydrophobicContact CD2-CG 4.35Å; W469-M516 HydrophobicContact CE3-CB 3.86Å; W469-M516 HydrophobicContact CE3-CG 3.93Å; W469-M516 HydrophobicContact CH2-CB 3.49Å; W469-M516 VanDerWaalsContact CH2-CB 3.49Å; W469-M516 HydrophobicContact CH2-CE 3.69Å; W469-M516 HydrophobicContact CH2-CG 3.79Å; W469-M516 HydrophobicContact CZ2-CB 3.39Å; W469-M516 HydrophobicContact CZ2-CE 4.43Å; W469-M516 HydrophobicContact CZ2-CG 4.22Å; W469-M516 HydrophobicContact CZ3-CB 3.73Å; W469-M516 HydrophobicContact CZ3-CE 4.19Å; W469-M516 HydrophobicContact CZ3-CG 3.65Å; V512-M516 HydrophobicContact CG1-CG 3.96Å; V512-M516 WeakPolarHBondContact O-CB 3.34Å; V512-M516 VanDerWaalsContact O-CG 3.29Å; V512-M516 WeakPolarHBondContact O-CG 3.36Å; V512-M516 PolarHBondContact O-N 3.18Å; K513-M516 PolarHBondContact O-N 2.94Å; M516-T518 PolarHBondContact O-N 3.18Å; M516-W519 HydrophobicContact CE-CB 4.31Å; M516-W519 WeakPolarHBondContact O-CA 3.09Å; M516-W519 PolarHBondContact O-N 3.14Å; M516-T520 PolarHBondContact O-N 3.09Å; M516-T520 PolarHBondContact O-OG1 3Å
517	D	97.5	Very high	88.3	Confident	35 Å²	35	47.3 Å²	47.3	19%	0.187	25%	0.246	C	C	.	.	H	α-helix	trans	-56.3	-36.3	169.9	-77.4	-7.1	0	0	0	110.9	K513 I515 W519 L521	K513-D517 IonicContact NZ-OD2 3.67Å; K513-D517 PolarHBondContact NZ-OD2 3.46Å; K513-D517 VanDerWaalsContact O-CB 3.26Å; K513-D517 WeakPolarHBondContact O-CB 3.22Å; K513-D517 PolarHBondContact O-N 3.11Å; I515-D517 PolarHBondContact O-N 3.4Å; D517-W519 PolarHBondContact O-N 3.05Å; D517-L521 HydrophobicContact CB-CD1 4.11Å; D517-L521 VanDerWaalsContact O-CB 3.3Å; D517-L521 WeakPolarHBondContact O-CB 3.38Å; D517-L521 PolarHBondContact O-N 2.83Å
518	T	97.9	Very high	91	Very high	23 Å²	23	38.8 Å²	38.8	14%	0.141	20%	0.2	C	C	.	.	H	α-helix	trans	-66.5	-25.5	176	69.3	0	0	0	0	113.2	I515 M516 Q522 W558 Q559	I515-T518 WeakPolarHBondContact O-CB 3.11Å; I515-T518 PolarHBondContact O-N 3.21Å; I515-T518 VanDerWaalsContact O-N 3.16Å; I515-T518 PolarHBondContact O-OG1 3.33Å; M516-T518 PolarHBondContact O-N 3.18Å; T518-Q522 PolarHBondContact O-NE2 3.14Å; T518-W558 PolarHBondContact O-NE1 3.08Å; T518-W558 VanDerWaalsContact O-NE1 3.07Å; T518-Q559 PolarHBondContact OG1-N 3.23Å
519	W	98.6	Very high	93.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-92.4	-25.9	-178.3	-66.9	104.4	0	0	0	113.6	I434 M437 M516 D517 P526 W558 Q559 I560 Y602	I434-W519 HydrophobicContact CD1-CB 4.37Å; I434-W519 HydrophobicContact CG2-CB 4.37Å; I434-W519 HydrophobicContact CG2-CE3 4.32Å; M437-W519 HydrophobicContact CE-CD2 3.59Å; M437-W519 HydrophobicContact CE-CE3 4.18Å; M437-W519 HydrophobicContact CE-CG 3.87Å; M437-W519 HydrophobicContact CE-CH2 4.34Å; M437-W519 HydrophobicContact CE-CZ2 3.79Å; M437-W519 HydrophobicContact SD-CH2 4.25Å; M437-W519 HydrophobicContact SD-CZ2 3.91Å; M516-W519 HydrophobicContact CE-CB 4.31Å; M516-W519 WeakPolarHBondContact O-CA 3.09Å; M516-W519 PolarHBondContact O-N 3.14Å; D517-W519 PolarHBondContact O-N 3.05Å; W519-P526 HydrophobicContact CH2-CG 3.65Å; W519-P526 HydrophobicContact CZ2-CG 4.47Å; W519-P526 HydrophobicContact CZ3-CG 4.2Å; W519-W558 AromaticContact CD2-CD1 3.63Å; W519-W558 AromaticContact CE2-CD1 3.86Å; W519-W558 AromaticContact CE3-CD1 3.61Å; W519-W558 AromaticContact CE3-NE1 3.94Å; W519-W558 HydrophobicContact CH2-CB 4.42Å; W519-W558 HydrophobicContact CH2-CG 4.32Å; W519-W558 HydrophobicContact CZ2-CB 4.05Å; W519-W558 HydrophobicContact CZ2-CG 4.31Å; W519-W558 AromaticContact CZ3-CD1 3.85Å; W519-W558 HydrophobicContact CZ3-CG 4.42Å; W519-Q559 PolarHBondContact NE1-O 3.38Å; W519-Q559 VanDerWaalsContact NE1-O 3.13Å; W519-I560 HydrophobicContact CZ2-CB 4.43Å; W519-I560 HydrophobicContact CZ2-CG1 4.17Å; W519-I560 HydrophobicContact CZ2-CG2 4.22Å; W519-Y602 HydrophobicContact CE3-CD1 4.45Å; W519-Y602 WeakPolarHBondContact CH2-O 3.35Å; W519-Y602 HydrophobicContact CZ3-CD1 4.12Å; W519-Y602 WeakPolarHBondContact CZ3-O 3.34Å
520	T	98.5	Very high	94.9	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-101.5	-26	-177.9	56.7	0	0	0	0	114.7	W363 P408 V409 S410 I434 W469 M516	W363-T520 HydrophobicContact CH2-CG2 4.1Å; W363-T520 HydrophobicContact CZ2-CG2 3.84Å; P408-T520 WeakPolarHBondContact CB-O 3.24Å; V409-T520 HydrophobicContact CB-CG2 4.41Å; V409-T520 PolarHBondContact N-O 3.24Å; S410-T520 PolarHBondContact N-O 3.37Å; I434-T520 HydrophobicContact CD1-CG2 3.71Å; W469-T520 HydrophobicContact CH2-CG2 4.39Å; W469-T520 HydrophobicContact CZ2-CG2 3.74Å; M516-T520 PolarHBondContact O-N 3.09Å; M516-T520 PolarHBondContact O-OG1 3Å
521	L	98.1	Very high	96.3	Very high	90 Å²	90	26.2 Å²	26.2	47%	0.471	14%	0.135	S	C	.	.	S	Bend	trans	-103	-1.1	-175.1	-55.1	179.4	0	0	0	113.9	D517	D517-L521 HydrophobicContact CB-CD1 4.11Å; D517-L521 VanDerWaalsContact O-CB 3.3Å; D517-L521 WeakPolarHBondContact O-CB 3.38Å; D517-L521 PolarHBondContact O-N 2.83Å
522	Q	96.9	Very high	96.9	Very high	40 Å²	40	25.6 Å²	25.6	19%	0.187	13%	0.133	C	C	.	.	S	Bend	trans	-120.4	138	173	-61.6	175.2	103.3	0	0	109.5	T518 F556 L557	T518-Q522 PolarHBondContact O-NE2 3.14Å; Q522-F556 HydrophobicContact CB-CD1 4.24Å; Q522-F556 HydrophobicContact CB-CE1 4.36Å; Q522-L557 PolarHBondContact NE2-O 3.43Å
523	E	95.6	Very high	97	Very high	52 Å²	52	30.3 Å²	30.3	24%	0.243	15%	0.154	C	C	.	.			trans	-73	159.1	168.9	67.9	-85	-167.2	0	0	112	H407 P408 R543 F556	H407-E523 VanDerWaalsContact C-CB 3.44Å; P408-E523 HydrophobicContact CG-CB 4.35Å; E523-R543 VanDerWaalsContact CG-NH2 3.32Å; E523-R543 IonicContact OE1-NH1 2.69Å; E523-F556 HydrophobicContact CG-CE1 4.32Å; E523-F556 WeakPolarHBondContact OE1-CZ 3.39Å
524	G	97.1	Very high	97.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.152	C	C	.	.	S	Bend	trans	76	-172.8	179.4	0	0	0	0	0	114.2	D401 K430	D401-G524 WeakPolarHBondContact O-CA 3.23Å; D401-G524 VanDerWaalsContact OD1-CA 3.31Å; D401-G524 WeakPolarHBondContact OD1-CA 3.31Å; D401-G524 PolarHBondContact OD1-N 3.26Å; D401-G524 WeakPolarHBondContact OD2-CA 3.23Å; D401-G524 PolarHBondContact OD2-N 3.33Å; D401-G524 VanDerWaalsContact OD2-O 3.14Å; K430-G524 PolarHBondContact NZ-O 2.95Å
525	F	98.4	Very high	97.2	Very high	1 Å²	1	31.1 Å²	31.1	0%	0.004	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	158.7	-179.7	59.8	-90.6	0	0	0	111.2	M398 D401 F544 Y602 M604	M398-F525 HydrophobicContact CB-CD1 4.46Å; M398-F525 HydrophobicContact CB-CE1 3.71Å; M398-F525 HydrophobicContact CB-CZ 3.83Å; M398-F525 HydrophobicContact CE-CD2 4.19Å; M398-F525 HydrophobicContact CE-CE2 4.41Å; M398-F525 HydrophobicContact CE-CG 4.42Å; M398-F525 HydrophobicContact CG-CD1 3.97Å; M398-F525 HydrophobicContact CG-CE1 3.65Å; M398-F525 HydrophobicContact CG-CE2 4.24Å; M398-F525 HydrophobicContact CG-CG 4.39Å; M398-F525 HydrophobicContact CG-CZ 3.77Å; M398-F525 WeakPolarHBondContact O-CE1 3.07Å; M398-F525 HydrophobicContact SD-CE2 4.21Å; M398-F525 HydrophobicContact SD-CZ 4.22Å; D401-F525 HydrophobicContact CB-CD1 4.09Å; D401-F525 HydrophobicContact CB-CE1 4.29Å; F525-F544 HydrophobicContact CD2-CB 4.03Å; F525-F544 HydrophobicContact CE1-CD1 4.25Å; F525-F544 HydrophobicContact CE2-CB 3.58Å; F525-F544 AromaticContact CE2-CD1 3.62Å; F525-F544 HydrophobicContact CE2-CD1 3.62Å; F525-F544 AromaticContact CE2-CG 3.78Å; F525-F544 HydrophobicContact CE2-CG 3.78Å; F525-F544 HydrophobicContact CZ-CB 4.09Å; F525-F544 AromaticContact CZ-CD1 3.33Å; F525-F544 HydrophobicContact CZ-CD1 3.33Å; F525-F544 HydrophobicContact CZ-CE1 4.08Å; F525-F544 HydrophobicContact CZ-CG 4Å; F525-F544 PolarHBondContact O-N 2.84Å; F525-Y602 HydrophobicContact CB-CD1 3.78Å; F525-Y602 HydrophobicContact CB-CE1 3.73Å; F525-Y602 HydrophobicContact CD1-CE1 4.13Å; F525-Y602 HydrophobicContact CG-CE1 4.19Å; F525-M604 HydrophobicContact CD2-CG 4.34Å; F525-M604 HydrophobicContact CE2-CB 4.31Å; F525-M604 HydrophobicContact CE2-CG 3.61Å; F525-M604 HydrophobicContact CE2-SD 3.6Å; F525-M604 VanDerWaalsContact CE2-SD 3.6Å; F525-M604 HydrophobicContact CZ-CG 4.45Å; F525-M604 HydrophobicContact CZ-SD 3.98Å
526	P	98.3	Very high	97.3	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	142.1	-177.4	27.1	-28	0	0	0	113.3	W519 Q541 E542 W558 I560 Y603 M604	W519-P526 HydrophobicContact CH2-CG 3.65Å; W519-P526 HydrophobicContact CZ2-CG 4.47Å; W519-P526 HydrophobicContact CZ3-CG 4.2Å; P526-Q541 HydrophobicContact CB-CB 4.47Å; P526-E542 CarbonylContact C-O 3.2Å; P526-E542 VanDerWaalsContact CA-O 3.3Å; P526-E542 WeakPolarHBondContact CA-O 3.24Å; P526-W558 HydrophobicContact CB-CD2 4.11Å; P526-W558 HydrophobicContact CB-CE3 3.6Å; P526-W558 HydrophobicContact CB-CZ3 4.01Å; P526-W558 HydrophobicContact CG-CB 4.16Å; P526-W558 HydrophobicContact CG-CD2 3.94Å; P526-W558 HydrophobicContact CG-CE3 3.97Å; P526-W558 HydrophobicContact CG-CG 4.03Å; P526-I560 HydrophobicContact CB-CD1 3.56Å; P526-I560 HydrophobicContact CG-CD1 3.37Å; P526-I560 HydrophobicContact CG-CG1 3.94Å; P526-Y603 WeakPolarHBondContact O-CA 3.48Å; P526-Y603 WeakPolarHBondContact O-CB 3.47Å; P526-M604 PolarHBondContact O-N 3.19Å
527	L	98.1	Very high	97.3	Very high	2 Å²	2	33 Å²	33	1%	0.01	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	121.1	156.6	176.7	61.4	0	0	0	109.4	Q541 E542 F544 M604 H606 L641	L527-Q541 WeakPolarHBondContact O-CA 3.37Å; L527-E542 HydrophobicContact CB-CG 4.15Å; L527-E542 HydrophobicContact CD2-CG 4.49Å; L527-E542 PolarHBondContact N-O 2.97Å; L527-E542 PolarHBondContact O-N 3.19Å; L527-E542 VanDerWaalsContact O-N 3.11Å; L527-F544 HydrophobicContact CB-CB 4.1Å; L527-F544 HydrophobicContact CB-CD2 4.31Å; L527-F544 HydrophobicContact CD2-CD2 4.38Å; L527-M604 HydrophobicContact CD1-CB 3.9Å; L527-H606 HydrophobicContact CD1-CB 3.88Å; L527-H606 HydrophobicContact CD2-CB 4.35Å; L527-H606 HydrophobicContact CG-CB 4.34Å; L527-L641 HydrophobicContact CD1-CD2 3.89Å; L527-L641 HydrophobicContact CD2-CD2 3.7Å; L527-L641 HydrophobicContact CG-CD2 4.47Å
528	V	98.6	Very high	97.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	113.2	174.5	-178.2	0	0	0	0	109.1	V530 L539 S540 I560 L562 Y603 M604 V605 H606	V528-V530 HydrophobicContact CG1-CG2 4.34Å; V528-L539 HydrophobicContact CG1-CD2 4.4Å; V528-S540 CarbonylContact C-O 3.45Å; V528-S540 WeakPolarHBondContact CA-O 3.41Å; V528-I560 HydrophobicContact CG2-CD1 3.8Å; V528-L562 HydrophobicContact CG1-CD1 4.42Å; V528-L562 HydrophobicContact CG1-CD2 4.27Å; V528-L562 HydrophobicContact CG2-CD2 3.94Å; V528-Y603 HydrophobicContact CB-CD2 4.32Å; V528-Y603 HydrophobicContact CG2-CD2 3.69Å; V528-Y603 HydrophobicContact CG2-CE2 4.31Å; V528-Y603 HydrophobicContact CG2-CG 4.28Å; V528-M604 PolarHBondContact N-O 2.68Å; V528-V605 CarbonylContact O-C 3.55Å; V528-V605 WeakPolarHBondContact O-CA 3.41Å; V528-H606 PolarHBondContact O-N 2.75Å
529	T	98.6	Very high	97.4	Very high	22 Å²	22	35.6 Å²	35.6	14%	0.135	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	130.1	172.7	-61.9	0	0	0	0	110.3	L539 S540 H606 A608	T529-L539 WeakPolarHBondContact O-CA 3.45Å; T529-S540 WeakPolarHBondContact CB-OG 3.36Å; T529-S540 PolarHBondContact N-O 3.29Å; T529-S540 PolarHBondContact O-N 3.46Å; T529-H606 CarbonylContact C-O 3.18Å; T529-H606 WeakPolarHBondContact CA-O 3.35Å; T529-A608 HydrophobicContact CG2-CB 4.11Å
530	V	98.5	Very high	97.3	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	119.6	-177.8	-178.3	0	0	0	0	108.8	V528 V532 V537 L539 F595 V605 H606 Y607 A608	V528-V530 HydrophobicContact CG1-CG2 4.34Å; V530-V532 HydrophobicContact CG1-CG2 4.17Å; V530-V537 HydrophobicContact CG1-CG1 3.76Å; V530-L539 HydrophobicContact CG1-CD2 4.44Å; V530-L539 HydrophobicContact CG2-CD2 3.88Å; V530-F595 HydrophobicContact CB-CD2 4.42Å; V530-F595 HydrophobicContact CB-CE2 4.41Å; V530-F595 HydrophobicContact CG1-CD2 3.95Å; V530-F595 HydrophobicContact CG1-CE2 3.58Å; V530-F595 HydrophobicContact CG1-CZ 4.48Å; V530-F595 HydrophobicContact CG2-CD2 3.63Å; V530-F595 HydrophobicContact CG2-CE2 3.87Å; V530-F595 HydrophobicContact CG2-CG 4.09Å; V530-V605 HydrophobicContact CG2-CG1 3.72Å; V530-H606 PolarHBondContact N-O 3.31Å; V530-Y607 HydrophobicContact CB-CD1 4.13Å; V530-Y607 HydrophobicContact CB-CE1 4.47Å; V530-Y607 HydrophobicContact CG1-CD1 4.33Å; V530-A608 PolarHBondContact O-N 2.74Å
531	E	97.4	Very high	97.3	Very high	63 Å²	63	37.8 Å²	37.8	29%	0.294	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	119.8	172.6	-171.7	-171.7	-152.9	0	0	109.8	K533 V537 R538 A608	E531-K533 VanDerWaalsContact CD-CE 3.48Å; E531-K533 WeakPolarHBondContact OE1-CE 3.29Å; E531-K533 IonicContact OE1-NZ 2.67Å; E531-K533 PolarHBondContact OE1-NZ 3.29Å; E531-K533 IonicContact OE2-NZ 3.61Å; E531-K533 PolarHBondContact OE2-NZ 3.25Å; E531-V537 WeakPolarHBondContact O-CA 3.36Å; E531-R538 HydrophobicContact CB-CB 4.33Å; E531-R538 PolarHBondContact N-O 3.45Å; E531-R538 PolarHBondContact O-N 2.87Å; E531-R538 IonicContact OE2-NH1 3.58Å; E531-A608 HydrophobicContact CB-CB 4.29Å
532	V	95.9	Very high	97.2	Very high	61 Å²	61	36.3 Å²	36.3	37%	0.37	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	127.5	-179	-174.8	0	0	0	0	110.3	V530 V537 V593	V530-V532 HydrophobicContact CG1-CG2 4.17Å; V532-V537 HydrophobicContact CG1-CG2 4.42Å; V532-V537 HydrophobicContact CG2-CG1 4.42Å; V532-V537 HydrophobicContact CG2-CG2 4.24Å; V532-V593 HydrophobicContact CG2-CG2 4.24Å
533	K	94.5	Very high	97.2	Very high	100 Å²	100	35 Å²	35	44%	0.435	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	96.5	176	-72.3	179.2	176.3	145.8	0	110.2	E531 R535 E536	E531-K533 VanDerWaalsContact CD-CE 3.48Å; E531-K533 WeakPolarHBondContact OE1-CE 3.29Å; E531-K533 IonicContact OE1-NZ 2.67Å; E531-K533 PolarHBondContact OE1-NZ 3.29Å; E531-K533 IonicContact OE2-NZ 3.61Å; E531-K533 PolarHBondContact OE2-NZ 3.25Å; K533-R535 PolarHBondContact O-N 3.13Å; K533-R535 VanDerWaalsContact O-N 3.13Å; K533-E536 PolarHBondContact N-O 3.13Å; K533-E536 PolarHBondContact O-N 2.84Å
534	G	93.4	Very high	97.3	Very high	33 Å²	33	32.7 Å²	32.7	34%	0.34	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	-113.8	-170.7	0	0	0	0	0	109.8	E589	G534-E589 WeakPolarHBondContact CA-OE1 3.28Å
535	R	96.3	Very high	97.1	Very high	127 Å²	127	33.1 Å²	33.1	48%	0.479	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-9.4	175.9	-58	-167.8	-60.7	145.3	6.2	114.6	K533 Y585 L586 P587 E589	K533-R535 PolarHBondContact O-N 3.13Å; K533-R535 VanDerWaalsContact O-N 3.13Å; R535-Y585 WeakPolarHBondContact O-CA 3.43Å; R535-L586 PolarHBondContact O-N 2.85Å; R535-P587 PolarHBondContact NH1-O 2.96Å; R535-E589 HydrophobicContact CG-CG 3.65Å
536	E	97.3	Very high	96.7	Very high	43 Å²	43	34.8 Å²	34.8	20%	0.201	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	123.9	-179.4	-172.9	173.9	100.9	0	0	110	K533 R538 V583 Y585	K533-E536 PolarHBondContact N-O 3.13Å; K533-E536 PolarHBondContact O-N 2.84Å; E536-R538 HydrophobicContact CG-CG 4.31Å; E536-R538 IonicContact OE1-CZ 2.89Å; E536-R538 IonicContact OE1-NE 3.18Å; E536-R538 PolarHBondContact OE1-NE 3.46Å; E536-R538 IonicContact OE1-NH2 3.7Å; E536-R538 PolarHBondContact OE1-NH2 2.66Å; E536-V583 HydrophobicContact CG-CG1 3.53Å; E536-Y585 HydrophobicContact CB-CD1 4.23Å; E536-Y585 HydrophobicContact CB-CE1 3.86Å; E536-Y585 HydrophobicContact CG-CD1 4.44Å; E536-Y585 HydrophobicContact CG-CE1 3.78Å; E536-Y585 PolarHBondContact OE2-OH 3.28Å
537	V	97.9	Very high	95.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	108	175.1	-177.5	0	0	0	0	108.2	V530 E531 V532 L539 V583 L584 L586 F595	V530-V537 HydrophobicContact CG1-CG1 3.76Å; E531-V537 WeakPolarHBondContact O-CA 3.36Å; V532-V537 HydrophobicContact CG1-CG2 4.42Å; V532-V537 HydrophobicContact CG2-CG1 4.42Å; V532-V537 HydrophobicContact CG2-CG2 4.24Å; V537-L539 HydrophobicContact CG1-CD2 4.1Å; V537-V583 WeakPolarHBondContact O-CA 3.3Å; V537-L584 HydrophobicContact CB-CD1 3.62Å; V537-L584 HydrophobicContact CB-CG 3.87Å; V537-L584 HydrophobicContact CG1-CD1 4.28Å; V537-L584 HydrophobicContact CG1-CG 4.29Å; V537-L584 HydrophobicContact CG2-CD1 3.77Å; V537-L584 PolarHBondContact N-O 3.41Å; V537-L584 PolarHBondContact O-N 3.05Å; V537-L586 HydrophobicContact CG2-CD1 3.7Å; V537-L586 HydrophobicContact CG2-CD2 4.25Å; V537-L586 HydrophobicContact CG2-CG 3.69Å; V537-F595 HydrophobicContact CG1-CE2 4.02Å; V537-F595 HydrophobicContact CG1-CZ 3.98Å
538	R	98.3	Very high	94.6	Very high	108 Å²	108	41.9 Å²	41.9	41%	0.408	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	131.7	176.9	-59.9	178	179.2	-173.4	-4.9	109.3	E531 E536 V583	E531-R538 HydrophobicContact CB-CB 4.33Å; E531-R538 PolarHBondContact N-O 3.45Å; E531-R538 PolarHBondContact O-N 2.87Å; E531-R538 IonicContact OE2-NH1 3.58Å; E536-R538 HydrophobicContact CG-CG 4.31Å; E536-R538 IonicContact OE1-CZ 2.89Å; E536-R538 IonicContact OE1-NE 3.18Å; E536-R538 PolarHBondContact OE1-NE 3.46Å; E536-R538 IonicContact OE1-NH2 3.7Å; E536-R538 PolarHBondContact OE1-NH2 2.66Å; R538-V583 HydrophobicContact CG-CG2 4.21Å
539	L	98.6	Very high	93.7	Very high	4 Å²	4	45 Å²	45	2%	0.021	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	135.5	-178.6	-60.3	173.3	0	0	0	109	V528 T529 V530 V537 L562 F575 L577 M581 D582 L584 F595	V528-L539 HydrophobicContact CG1-CD2 4.4Å; T529-L539 WeakPolarHBondContact O-CA 3.45Å; V530-L539 HydrophobicContact CG1-CD2 4.44Å; V530-L539 HydrophobicContact CG2-CD2 3.88Å; V537-L539 HydrophobicContact CG1-CD2 4.1Å; L539-L562 HydrophobicContact CD1-CD1 3.7Å; L539-F575 HydrophobicContact CD1-CD1 4.02Å; L539-F575 HydrophobicContact CD1-CE1 4Å; L539-L577 HydrophobicContact CB-CD1 4.48Å; L539-M581 CarbonylContact O-C 3.44Å; L539-M581 WeakPolarHBondContact O-CA 3.46Å; L539-D582 PolarHBondContact N-O 2.72Å; L539-D582 PolarHBondContact O-N 3.27Å; L539-L584 HydrophobicContact CD1-CD2 3.87Å; L539-L584 HydrophobicContact CD1-CG 4.4Å; L539-F595 HydrophobicContact CD1-CE1 4.38Å; L539-F595 HydrophobicContact CD2-CE1 3.87Å; L539-F595 HydrophobicContact CD2-CE2 4.26Å; L539-F595 HydrophobicContact CD2-CZ 3.66Å
540	S	98.1	Very high	92.6	Very high	40 Å²	40	48.4 Å²	48.4	28%	0.28	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	145.2	167.8	63.8	0	0	0	0	111	V528 T529 K580	V528-S540 CarbonylContact C-O 3.45Å; V528-S540 WeakPolarHBondContact CA-O 3.41Å; T529-S540 WeakPolarHBondContact CB-OG 3.36Å; T529-S540 PolarHBondContact N-O 3.29Å; T529-S540 PolarHBondContact O-N 3.46Å; S540-K580 CarbonylContact C-O 3.5Å; S540-K580 VanDerWaalsContact CA-O 3.25Å; S540-K580 WeakPolarHBondContact CA-O 3.25Å
541	Q	97.9	Very high	91.7	Very high	6 Å²	6	51.5 Å²	51.5	3%	0.028	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	144.2	174.9	60.2	171.2	-62.1	0	0	111.9	P526 L527 L557 W558 I560 L577 T579 K580	P526-Q541 HydrophobicContact CB-CB 4.47Å; L527-Q541 WeakPolarHBondContact O-CA 3.37Å; Q541-L557 HydrophobicContact CG-CD1 4.14Å; Q541-W558 PolarHBondContact NE2-O 3.3Å; Q541-W558 PolarHBondContact OE1-O 3.1Å; Q541-I560 HydrophobicContact CB-CD1 3.93Å; Q541-I560 HydrophobicContact CG-CD1 4.46Å; Q541-L577 HydrophobicContact CB-CD2 4.04Å; Q541-L577 HydrophobicContact CG-CD2 4.11Å; Q541-T579 PolarHBondContact NE2-O 3.47Å; Q541-K580 PolarHBondContact N-O 3.3Å
542	E	96.4	Very high	91	Very high	59 Å²	59	51.8 Å²	51.8	28%	0.276	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	158.5	170.3	63.5	-172.1	165.7	0	0	109.3	P526 L527 F544 K646	P526-E542 CarbonylContact C-O 3.2Å; P526-E542 VanDerWaalsContact CA-O 3.3Å; P526-E542 WeakPolarHBondContact CA-O 3.24Å; L527-E542 HydrophobicContact CB-CG 4.15Å; L527-E542 HydrophobicContact CD2-CG 4.49Å; L527-E542 PolarHBondContact N-O 2.97Å; L527-E542 PolarHBondContact O-N 3.19Å; L527-E542 VanDerWaalsContact O-N 3.11Å; E542-F544 PolarHBondContact O-N 3.03Å; E542-K646 VanDerWaalsContact OE1-CE 3.25Å; E542-K646 WeakPolarHBondContact OE1-CE 3.4Å; E542-K646 IonicContact OE1-NZ 2.69Å; E542-K646 PolarHBondContact OE1-NZ 3.46Å; E542-K646 IonicContact OE2-NZ 3.28Å
543	R	96.8	Very high	90.4	Very high	14 Å²	14	50.7 Å²	50.7	5%	0.053	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	129.5	172.4	177.6	177.5	175.7	-178.8	4.5	109.4	E523 L552 F556 W558	E523-R543 VanDerWaalsContact CG-NH2 3.32Å; E523-R543 IonicContact OE1-NH1 2.69Å; R543-L552 PolarHBondContact NH1-O 2.74Å; R543-F556 HydrophobicContact CB-CB 4.11Å; R543-F556 HydrophobicContact CB-CD2 4.21Å; R543-F556 HydrophobicContact CB-CG 4.16Å; R543-F556 HydrophobicContact CG-CG 4.49Å; R543-F556 VanDerWaalsContact NH1-CE2 3.33Å; R543-W558 HydrophobicContact CB-CH2 3.85Å; R543-W558 HydrophobicContact CB-CZ3 4.07Å; R543-W558 HydrophobicContact CG-CH2 4.01Å
544	F	96.3	Very high	90	Very high	3 Å²	3	52.9 Å²	52.9	1%	0.013	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	127	167.4	-174.7	-96.8	0	0	0	109.5	F525 L527 E542 R546 M604 Q640 V644	F525-F544 HydrophobicContact CD2-CB 4.03Å; F525-F544 HydrophobicContact CE1-CD1 4.25Å; F525-F544 HydrophobicContact CE2-CB 3.58Å; F525-F544 AromaticContact CE2-CD1 3.62Å; F525-F544 HydrophobicContact CE2-CD1 3.62Å; F525-F544 AromaticContact CE2-CG 3.78Å; F525-F544 HydrophobicContact CE2-CG 3.78Å; F525-F544 HydrophobicContact CZ-CB 4.09Å; F525-F544 AromaticContact CZ-CD1 3.33Å; F525-F544 HydrophobicContact CZ-CD1 3.33Å; F525-F544 HydrophobicContact CZ-CE1 4.08Å; F525-F544 HydrophobicContact CZ-CG 4Å; F525-F544 PolarHBondContact O-N 2.84Å; L527-F544 HydrophobicContact CB-CB 4.1Å; L527-F544 HydrophobicContact CB-CD2 4.31Å; L527-F544 HydrophobicContact CD2-CD2 4.38Å; E542-F544 PolarHBondContact O-N 3.03Å; F544-R546 HydrophobicContact CE1-CG 4.14Å; F544-R546 HydrophobicContact CZ-CG 4.44Å; F544-M604 HydrophobicContact CD1-SD 4.13Å; F544-M604 HydrophobicContact CD2-CE 3.86Å; F544-M604 HydrophobicContact CD2-SD 4.25Å; F544-M604 HydrophobicContact CE1-CE 4.42Å; F544-M604 HydrophobicContact CE1-SD 4.09Å; F544-M604 HydrophobicContact CE2-CE 3.57Å; F544-M604 HydrophobicContact CE2-SD 4.22Å; F544-M604 HydrophobicContact CG-CE 4.42Å; F544-M604 HydrophobicContact CG-SD 4.21Å; F544-M604 HydrophobicContact CZ-CE 3.88Å; F544-M604 HydrophobicContact CZ-SD 4.15Å; F544-Q640 HydrophobicContact CE1-CB 4.49Å; F544-Q640 HydrophobicContact CE2-CB 4.49Å; F544-Q640 HydrophobicContact CZ-CB 3.84Å; F544-V644 HydrophobicContact CE2-CG1 4.11Å; F544-V644 HydrophobicContact CE2-CG2 3.84Å; F544-V644 HydrophobicContact CZ-CG1 4.16Å; F544-V644 HydrophobicContact CZ-CG2 4.5Å
545	L	93.9	Very high	89.7	Confident	9 Å²	9	55.1 Å²	55.1	5%	0.047	30%	0.3	C	S	.	.			trans	-150.6	130.9	-178	-165.8	65.3	0	0	0	109.6	S402 T547 L552 T553 V644	S402-L545 WeakPolarHBondContact O-CD1 3.31Å; L545-T547 HydrophobicContact CB-CG2 4.12Å; L545-T547 HydrophobicContact CD2-CG2 3.36Å; L545-T547 HydrophobicContact CG-CG2 3.55Å; L545-T547 PolarHBondContact O-N 3.32Å; L545-L552 HydrophobicContact CD2-CB 3.51Å; L545-L552 HydrophobicContact CD2-CD1 4.34Å; L545-T553 HydrophobicContact CB-CG2 4.1Å; L545-T553 HydrophobicContact CD2-CG2 4.26Å; L545-V644 VanDerWaalsContact O-CG1 3.27Å; L545-V644 WeakPolarHBondContact O-CG1 3.45Å
546	R	89.4	Confident	89.7	Confident	35 Å²	35	51.2 Å²	51.2	13%	0.132	29%	0.287	C	S	.	.	S	Bend	trans	-81	62.4	178.2	-69.3	173.4	69.8	174	0.9	111.2	S402 F544 D913	S402-R546 PolarHBondContact O-N 3.34Å; S402-R546 WeakPolarHBondContact OG-CD 3.49Å; F544-R546 HydrophobicContact CE1-CG 4.14Å; F544-R546 HydrophobicContact CZ-CG 4.44Å; R546-D913 IonicContact CZ-OD2 2.77Å; R546-D913 IonicContact NE-OD2 3.58Å; R546-D913 PolarHBondContact NE-OD2 2.87Å; R546-D913 IonicContact NH2-OD2 3.6Å; R546-D913 PolarHBondContact NH2-OD2 3.15Å
547	T	81	Confident	89.7	Confident	40 Å²	40	52.6 Å²	52.6	25%	0.245	30%	0.295	C	S	.	.	S	Bend	trans	-144.5	157.2	179.4	-170.1	0	0	0	0	111.7	L545 D549 L552	L545-T547 HydrophobicContact CB-CG2 4.12Å; L545-T547 HydrophobicContact CD2-CG2 3.36Å; L545-T547 HydrophobicContact CG-CG2 3.55Å; L545-T547 PolarHBondContact O-N 3.32Å; T547-D549 VanDerWaalsContact C-N 3.33Å; T547-D549 HydrophobicContact CG2-CB 4.42Å; T547-D549 PolarHBondContact OG1-N 2.71Å; T547-L552 HydrophobicContact CG2-CD1 4.3Å
548	D	71.3	Confident	89.8	Confident	111 Å²	111	52.6 Å²	52.6	59%	0.594	30%	0.295	S	S	*	.	S	Bend	trans	-86.4	-5.4	172.4	-67.5	-31.2	0	0	0	112.8	P550 R916	D548-P550 WeakPolarHBondContact O-CD 3.48Å; D548-R916 WeakPolarHBondContact OD1-CD 3.48Å; D548-R916 IonicContact OD1-NE 3.06Å; D548-R916 WeakPolarHBondContact OD2-CD 3.45Å; D548-R916 IonicContact OD2-CZ 3.02Å; D548-R916 IonicContact OD2-NE 3.37Å; D548-R916 IonicContact OD2-NH1 2.75Å; D548-R916 PolarHBondContact OD2-NH1 3.19Å
549	D	79.7	Confident	89.7	Confident	67 Å²	67	49.1 Å²	49.1	36%	0.358	28%	0.284	S	S	.	.			trans	-91.4	98.7	-178.4	-170.1	-9.9	0	0	0	111.4	T547 S551 L552	T547-D549 VanDerWaalsContact C-N 3.33Å; T547-D549 HydrophobicContact CG2-CB 4.42Å; T547-D549 PolarHBondContact OG1-N 2.71Å; D549-S551 PolarHBondContact O-N 3.33Å; D549-S551 VanDerWaalsContact OD1-CB 3.26Å; D549-S551 WeakPolarHBondContact OD1-CB 3.37Å; D549-S551 PolarHBondContact OD1-N 3.17Å; D549-S551 PolarHBondContact OD1-OG 3.49Å; D549-S551 PolarHBondContact OD2-OG 3.05Å; D549-L552 HydrophobicContact CB-CD1 4.03Å; D549-L552 HydrophobicContact CB-CG 4.15Å; D549-L552 PolarHBondContact O-N 3.28Å
550	P	74.9	Confident	89.7	Confident	92 Å²	92	49 Å²	49	60%	0.597	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-65.7	-20.3	-180	28.6	-36.4	0	0	0	112.7	D548 L552 T553	D548-P550 WeakPolarHBondContact O-CD 3.48Å; P550-L552 PolarHBondContact O-N 3.1Å; P550-T553 PolarHBondContact O-N 3.11Å; P550-T553 PolarHBondContact O-OG1 3.11Å
551	S	80.9	Confident	89.6	Confident	66 Å²	66	47.4 Å²	47.4	46%	0.462	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-64.6	-26.1	-179.7	73.9	0	0	0	0	112.5	D549 T553 E554	D549-S551 PolarHBondContact O-N 3.33Å; D549-S551 VanDerWaalsContact OD1-CB 3.26Å; D549-S551 WeakPolarHBondContact OD1-CB 3.37Å; D549-S551 PolarHBondContact OD1-N 3.17Å; D549-S551 PolarHBondContact OD1-OG 3.49Å; D549-S551 PolarHBondContact OD2-OG 3.05Å; S551-T553 PolarHBondContact O-N 2.91Å; S551-E554 PolarHBondContact O-N 2.6Å
552	L	82.9	Confident	89.6	Confident	69 Å²	69	47.1 Å²	47.1	36%	0.361	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-75.7	-5.4	177.2	-60.1	179	0	0	0	113.6	R543 L545 T547 D549 P550	R543-L552 PolarHBondContact NH1-O 2.74Å; L545-L552 HydrophobicContact CD2-CB 3.51Å; L545-L552 HydrophobicContact CD2-CD1 4.34Å; T547-L552 HydrophobicContact CG2-CD1 4.3Å; D549-L552 HydrophobicContact CB-CD1 4.03Å; D549-L552 HydrophobicContact CB-CG 4.15Å; D549-L552 PolarHBondContact O-N 3.28Å; P550-L552 PolarHBondContact O-N 3.1Å
553	T	83.2	Confident	89.7	Confident	38 Å²	38	44.3 Å²	44.3	23%	0.233	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-103.4	-6	178.6	69.6	0	0	0	0	113.3	L545 P550 S551	L545-T553 HydrophobicContact CB-CG2 4.1Å; L545-T553 HydrophobicContact CD2-CG2 4.26Å; P550-T553 PolarHBondContact O-N 3.11Å; P550-T553 PolarHBondContact O-OG1 3.11Å; S551-T553 PolarHBondContact O-N 2.91Å
554	E	85.3	Confident	89.8	Confident	146 Å²	146	44.9 Å²	44.9	68%	0.682	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	150.3	179.5	-63.6	-170.2	175.3	0	0	112.2	S551 F556	S551-E554 PolarHBondContact O-N 2.6Å; E554-F556 VanDerWaalsContact C-N 3.32Å; E554-F556 VanDerWaalsContact O-CD2 3.29Å; E554-F556 WeakPolarHBondContact O-CD2 3.35Å; E554-F556 PolarHBondContact O-N 3.37Å
555	G	88.1	Confident	89.8	Confident	81 Å²	81	45.6 Å²	45.6	84%	0.835	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.4	-10.3	174.3	0	0	0	0	0	116.2
556	F	95.9	Very high	90	Very high	45 Å²	45	45.7 Å²	45.7	20%	0.197	26%	0.264	C	S	.	.			trans	-85.9	135.5	178.2	-65.7	-91.3	0	0	0	112.6	Q522 E523 R543 E554 W558	Q522-F556 HydrophobicContact CB-CD1 4.24Å; Q522-F556 HydrophobicContact CB-CE1 4.36Å; E523-F556 HydrophobicContact CG-CE1 4.32Å; E523-F556 WeakPolarHBondContact OE1-CZ 3.39Å; R543-F556 HydrophobicContact CB-CB 4.11Å; R543-F556 HydrophobicContact CB-CD2 4.21Å; R543-F556 HydrophobicContact CB-CG 4.16Å; R543-F556 HydrophobicContact CG-CG 4.49Å; R543-F556 VanDerWaalsContact NH1-CE2 3.33Å; E554-F556 VanDerWaalsContact C-N 3.32Å; E554-F556 VanDerWaalsContact O-CD2 3.29Å; E554-F556 WeakPolarHBondContact O-CD2 3.35Å; E554-F556 PolarHBondContact O-N 3.37Å; F556-W558 HydrophobicContact CB-CE3 4.39Å; F556-W558 HydrophobicContact CB-CH2 3.55Å; F556-W558 HydrophobicContact CB-CZ2 4.45Å; F556-W558 HydrophobicContact CB-CZ3 3.52Å; F556-W558 AromaticContact CD1-CH2 3.84Å; F556-W558 HydrophobicContact CD1-CH2 3.84Å; F556-W558 HydrophobicContact CD1-CZ2 4.13Å; F556-W558 AromaticContact CG-CH2 3.96Å; F556-W558 HydrophobicContact CG-CH2 3.96Å; F556-W558 HydrophobicContact CG-CZ3 4.41Å
557	L	97.8	Very high	90.3	Very high	71 Å²	71	45.9 Å²	45.9	37%	0.372	27%	0.271	S	S	.	.			trans	-149.4	133	174.7	-173	70.6	0	0	0	109.8	Q522 Q541 K580	Q522-L557 PolarHBondContact NE2-O 3.43Å; Q541-L557 HydrophobicContact CG-CD1 4.14Å; L557-K580 HydrophobicContact CD1-CB 4.43Å
558	W	98.4	Very high	91	Very high	1 Å²	1	46.5 Å²	46.5	0%	0.004	28%	0.28	C	S	.	.			trans	-114.8	150.2	174.9	-68.1	-94.3	0	0	0	110.7	T518 W519 P526 Q541 R543 F556 I560	T518-W558 PolarHBondContact O-NE1 3.08Å; T518-W558 VanDerWaalsContact O-NE1 3.07Å; W519-W558 AromaticContact CD2-CD1 3.63Å; W519-W558 AromaticContact CE2-CD1 3.86Å; W519-W558 AromaticContact CE3-CD1 3.61Å; W519-W558 AromaticContact CE3-NE1 3.94Å; W519-W558 HydrophobicContact CH2-CB 4.42Å; W519-W558 HydrophobicContact CH2-CG 4.32Å; W519-W558 HydrophobicContact CZ2-CB 4.05Å; W519-W558 HydrophobicContact CZ2-CG 4.31Å; W519-W558 AromaticContact CZ3-CD1 3.85Å; W519-W558 HydrophobicContact CZ3-CG 4.42Å; P526-W558 HydrophobicContact CB-CD2 4.11Å; P526-W558 HydrophobicContact CB-CE3 3.6Å; P526-W558 HydrophobicContact CB-CZ3 4.01Å; P526-W558 HydrophobicContact CG-CB 4.16Å; P526-W558 HydrophobicContact CG-CD2 3.94Å; P526-W558 HydrophobicContact CG-CE3 3.97Å; P526-W558 HydrophobicContact CG-CG 4.03Å; Q541-W558 PolarHBondContact NE2-O 3.3Å; Q541-W558 PolarHBondContact OE1-O 3.1Å; R543-W558 HydrophobicContact CB-CH2 3.85Å; R543-W558 HydrophobicContact CB-CZ3 4.07Å; R543-W558 HydrophobicContact CG-CH2 4.01Å; F556-W558 HydrophobicContact CB-CE3 4.39Å; F556-W558 HydrophobicContact CB-CH2 3.55Å; F556-W558 HydrophobicContact CB-CZ2 4.45Å; F556-W558 HydrophobicContact CB-CZ3 3.52Å; F556-W558 AromaticContact CD1-CH2 3.84Å; F556-W558 HydrophobicContact CD1-CH2 3.84Å; F556-W558 HydrophobicContact CD1-CZ2 4.13Å; F556-W558 AromaticContact CG-CH2 3.96Å; F556-W558 HydrophobicContact CG-CH2 3.96Å; F556-W558 HydrophobicContact CG-CZ3 4.41Å; W558-I560 HydrophobicContact CB-CD1 4.3Å; W558-I560 HydrophobicContact CB-CG1 3.66Å
559	Q	97.3	Very high	92.1	Very high	35 Å²	35	42.8 Å²	42.8	16%	0.164	26%	0.262	C	S	.	.			trans	-88.3	104.1	159.7	-62	-157.6	20.1	0	0	108.5	I515 T518 W519 P561 L576 L577 K578	I515-Q559 HydrophobicContact CB-CB 4.29Å; I515-Q559 HydrophobicContact CG1-CB 3.86Å; I515-Q559 HydrophobicContact CG1-CG 4.47Å; I515-Q559 HydrophobicContact CG2-CB 4.27Å; T518-Q559 PolarHBondContact OG1-N 3.23Å; W519-Q559 PolarHBondContact NE1-O 3.38Å; W519-Q559 VanDerWaalsContact NE1-O 3.13Å; Q559-P561 WeakPolarHBondContact O-CD 3.3Å; Q559-L576 HydrophobicContact CB-CD1 4.3Å; Q559-L577 WeakPolarHBondContact CA-O 3.44Å; Q559-K578 HydrophobicContact CG-CG 4.42Å
560	I	98.1	Very high	92.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	115.2	-168.7	-45.2	175.3	0	0	0	110	W519 P526 V528 Q541 W558 L562 L577 Y603	W519-I560 HydrophobicContact CZ2-CB 4.43Å; W519-I560 HydrophobicContact CZ2-CG1 4.17Å; W519-I560 HydrophobicContact CZ2-CG2 4.22Å; P526-I560 HydrophobicContact CB-CD1 3.56Å; P526-I560 HydrophobicContact CG-CD1 3.37Å; P526-I560 HydrophobicContact CG-CG1 3.94Å; V528-I560 HydrophobicContact CG2-CD1 3.8Å; Q541-I560 HydrophobicContact CB-CD1 3.93Å; Q541-I560 HydrophobicContact CG-CD1 4.46Å; W558-I560 HydrophobicContact CB-CD1 4.3Å; W558-I560 HydrophobicContact CB-CG1 3.66Å; I560-L562 VanDerWaalsContact C-N 3.3Å; I560-L562 HydrophobicContact CB-CD2 4.07Å; I560-L562 HydrophobicContact CB-CG 4.45Å; I560-L562 HydrophobicContact CG2-CD2 3.48Å; I560-L562 VanDerWaalsContact CG2-CD2 3.48Å; I560-L562 HydrophobicContact CG2-CG 4.25Å; I560-L562 PolarHBondContact O-N 3.42Å; I560-L577 HydrophobicContact CB-CB 4.37Å; I560-L577 HydrophobicContact CD1-CD2 4.34Å; I560-L577 PolarHBondContact N-O 2.85Å; I560-L577 PolarHBondContact O-N 3.1Å; I560-Y603 HydrophobicContact CG2-CD1 3.4Å; I560-Y603 VanDerWaalsContact CG2-CD1 3.4Å; I560-Y603 HydrophobicContact CG2-CD2 4.43Å; I560-Y603 HydrophobicContact CG2-CE1 3.7Å; I560-Y603 HydrophobicContact CG2-CG 3.83Å
561	P	96.6	Very high	93.6	Very high	8 Å²	8	44.2 Å²	44.2	5%	0.052	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	83.1	173	32	-34.4	0	0	0	109.9	M437 F441 W504 Q559	M437-P561 HydrophobicContact CG-CG 3.63Å; M437-P561 HydrophobicContact SD-CG 3.79Å; F441-P561 HydrophobicContact CB-CB 4.37Å; F441-P561 HydrophobicContact CD2-CB 3.55Å; F441-P561 HydrophobicContact CD2-CG 4.46Å; F441-P561 HydrophobicContact CE2-CB 4.26Å; F441-P561 HydrophobicContact CG-CB 4.3Å; W504-P561 HydrophobicContact CH2-CB 3.55Å; W504-P561 HydrophobicContact CZ2-CB 4.46Å; W504-P561 HydrophobicContact CZ3-CB 3.67Å; Q559-P561 WeakPolarHBondContact O-CD 3.3Å
562	L	97.9	Very high	94.3	Very high	0 Å²	0	44 Å²	44	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	140.4	-179.8	-56.4	179.1	0	0	0	111.2	V528 L539 I560 R574 F575 L577 F595 Y603	V528-L562 HydrophobicContact CG1-CD1 4.42Å; V528-L562 HydrophobicContact CG1-CD2 4.27Å; V528-L562 HydrophobicContact CG2-CD2 3.94Å; L539-L562 HydrophobicContact CD1-CD1 3.7Å; I560-L562 VanDerWaalsContact C-N 3.3Å; I560-L562 HydrophobicContact CB-CD2 4.07Å; I560-L562 HydrophobicContact CB-CG 4.45Å; I560-L562 HydrophobicContact CG2-CD2 3.48Å; I560-L562 VanDerWaalsContact CG2-CD2 3.48Å; I560-L562 HydrophobicContact CG2-CG 4.25Å; I560-L562 PolarHBondContact O-N 3.42Å; L562-R574 WeakPolarHBondContact O-CA 3.35Å; L562-F575 WeakPolarHBondContact CA-O 3.46Å; L562-F575 HydrophobicContact CB-CB 4.37Å; L562-F575 VanDerWaalsContact CB-O 3.24Å; L562-F575 WeakPolarHBondContact CB-O 3.42Å; L562-F575 HydrophobicContact CD1-CD1 4.11Å; L562-F575 PolarHBondContact N-O 2.86Å; L562-F575 PolarHBondContact O-N 3.11Å; L562-L577 HydrophobicContact CD1-CB 3.82Å; L562-L577 HydrophobicContact CD1-CD2 4.19Å; L562-L577 HydrophobicContact CG-CB 4.15Å; L562-F595 HydrophobicContact CB-CD1 4.32Å; L562-F595 HydrophobicContact CB-CE1 4.45Å; L562-F595 HydrophobicContact CD1-CD1 4.44Å; L562-F595 HydrophobicContact CD1-CE1 4.22Å; L562-Y603 WeakPolarHBondContact CA-OH 3.46Å; L562-Y603 HydrophobicContact CD2-CD2 4.14Å; L562-Y603 HydrophobicContact CD2-CE1 4.12Å; L562-Y603 HydrophobicContact CD2-CE2 3.54Å
563	T	98	Very high	94.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	144.2	169.4	57.8	0	0	0	0	109.1	V572 H573 R574 F595 N596 V597 Y603	T563-V572 HydrophobicContact CG2-CG1 4.06Å; T563-H573 CarbonylContact C-O 3.49Å; T563-H573 VanDerWaalsContact CA-O 3.25Å; T563-H573 WeakPolarHBondContact CA-O 3.24Å; T563-R574 HydrophobicContact CG2-CG 4.44Å; T563-F595 CarbonylContact O-C 3.16Å; T563-F595 VanDerWaalsContact O-CA 3.25Å; T563-F595 WeakPolarHBondContact O-CA 3.35Å; T563-N596 PolarHBondContact O-N 3.45Å; T563-V597 PolarHBondContact OG1-N 3.22Å; T563-Y603 PolarHBondContact N-OH 2.94Å
564	Y	97.9	Very high	95.4	Very high	26 Å²	26	45.3 Å²	45.3	10%	0.102	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	156.9	174.6	70.7	-85.1	0	0	0	113.6	T566 H573 L584 L586 V593 K594 F595	Y564-T566 HydrophobicContact CD2-CG2 4.2Å; Y564-T566 HydrophobicContact CE2-CG2 4.35Å; Y564-H573 HydrophobicContact CD1-CB 3.82Å; Y564-H573 HydrophobicContact CD2-CB 4.03Å; Y564-H573 HydrophobicContact CE1-CB 3.4Å; Y564-H573 VanDerWaalsContact CE1-CB 3.4Å; Y564-H573 HydrophobicContact CE2-CB 3.63Å; Y564-H573 AromaticContact CE2-CD2 3.96Å; Y564-H573 AromaticContact CE2-CG 3.91Å; Y564-H573 HydrophobicContact CG-CB 4.11Å; Y564-H573 AromaticContact CZ-CG 3.9Å; Y564-H573 PolarHBondContact N-O 3.4Å; Y564-H573 PolarHBondContact O-N 3.42Å; Y564-L584 HydrophobicContact CD1-CD2 4.3Å; Y564-L584 HydrophobicContact CE1-CD2 3.77Å; Y564-L586 HydrophobicContact CE2-CD2 3.73Å; Y564-V593 HydrophobicContact CD2-CG1 4.14Å; Y564-K594 CarbonylContact C-O 3.53Å; Y564-K594 WeakPolarHBondContact CA-O 3.48Å; Y564-K594 WeakPolarHBondContact CB-O 3.42Å; Y564-F595 AromaticContact CD1-CE1 3.96Å; Y564-F595 HydrophobicContact CD1-CE1 3.96Å; Y564-F595 HydrophobicContact CD1-CZ 4.27Å; Y564-F595 HydrophobicContact CG-CE1 4.11Å; Y564-F595 HydrophobicContact CG-CZ 4.15Å
565	M	97.3	Very high	95.8	Very high	17 Å²	17	39.4 Å²	39.4	8%	0.084	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	166.6	169.7	61.2	-179.6	-91	0	0	110	W592 K594 V597 L626	M565-W592 HydrophobicContact CE-CH2 3.58Å; M565-W592 HydrophobicContact CE-CZ3 3.95Å; M565-W592 HydrophobicContact CG-CZ3 4.25Å; M565-K594 HydrophobicContact CG-CB 4.1Å; M565-K594 PolarHBondContact N-O 2.95Å; M565-K594 PolarHBondContact O-N 2.93Å; M565-V597 HydrophobicContact CB-CG2 4.27Å; M565-V597 HydrophobicContact CG-CG2 3.98Å; M565-V597 HydrophobicContact SD-CG1 4.26Å; M565-V597 HydrophobicContact SD-CG2 4.42Å; M565-L626 HydrophobicContact CE-CD2 3.92Å
566	T	97.4	Very high	96.1	Very high	11 Å²	11	36.2 Å²	36.2	7%	0.067	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	170.2	-173.5	68.5	0	0	0	0	111.9	Y564 A568 S569 L586 V590 W592 V593	Y564-T566 HydrophobicContact CD2-CG2 4.2Å; Y564-T566 HydrophobicContact CE2-CG2 4.35Å; T566-A568 PolarHBondContact O-N 2.95Å; T566-A568 PolarHBondContact OG1-N 3.22Å; T566-S569 PolarHBondContact N-O 3.07Å; T566-S569 CarbonylContact O-C 3.56Å; T566-S569 PolarHBondContact O-N 3.45Å; T566-S569 PolarHBondContact OG1-N 3.32Å; T566-L586 HydrophobicContact CG2-CD2 4.18Å; T566-V590 HydrophobicContact CG2-CG1 4.41Å; T566-V590 HydrophobicContact CG2-CG2 4.31Å; T566-W592 VanDerWaalsContact C-CH2 3.44Å; T566-W592 WeakPolarHBondContact CA-O 3.44Å; T566-W592 VanDerWaalsContact O-CH2 3.28Å; T566-W592 WeakPolarHBondContact O-CH2 3.4Å; T566-V593 HydrophobicContact CG2-CG1 4.34Å; T566-V593 HydrophobicContact CG2-CG2 4.2Å
567	S	96.4	Very high	96.2	Very high	40 Å²	40	34 Å²	34	28%	0.28	20%	0.197	S	C	.	.	S	Bend	trans	-60.8	-25.2	173.6	72.9	0	0	0	0	114.1	D591 W592	S567-D591 PolarHBondContact OG-N 2.93Å; S567-W592 VanDerWaalsContact CA-CE2 3.47Å; S567-W592 VanDerWaalsContact CA-CZ2 3.46Å; S567-W592 VanDerWaalsContact CB-NE1 3.32Å; S567-W592 PolarHBondContact N-O 3.37Å; S567-W592 VanDerWaalsContact N-O 3.12Å
568	A	95.9	Very high	96	Very high	53 Å²	53	34 Å²	34	44%	0.438	19%	0.194	S	C	.	.	S	Bend	trans	-91.1	-21.5	180	0	0	0	0	0	113.8	T566 E588 V590	T566-A568 PolarHBondContact O-N 2.95Å; T566-A568 PolarHBondContact OG1-N 3.22Å; A568-E588 HydrophobicContact CB-CG 4.2Å; A568-V590 HydrophobicContact CB-CG1 3.95Å
569	S	94.4	Very high	95.9	Very high	32 Å²	32	37.2 Å²	37.2	22%	0.224	21%	0.213	C	C	.	.			trans	-146.8	122.3	-175.1	174	0	0	0	0	111.5	T566 T571 H573	T566-S569 PolarHBondContact N-O 3.07Å; T566-S569 CarbonylContact O-C 3.56Å; T566-S569 PolarHBondContact O-N 3.45Å; T566-S569 PolarHBondContact OG1-N 3.32Å; S569-T571 VanDerWaalsContact C-N 3.25Å; S569-T571 WeakPolarHBondContact OG-CB 3.32Å; S569-T571 PolarHBondContact OG-N 2.84Å; S569-T571 PolarHBondContact OG-OG1 3.4Å; S569-H573 PolarHBondContact OG-NE2 2.88Å
570	S	91.9	Very high	95.9	Very high	102 Å²	102	42.4 Å²	42.4	71%	0.713	24%	0.235	S	C	*	.			trans	-82.1	0.8	169.5	57.2	0	0	0	0	113.5
571	T	94.1	Very high	95.9	Very high	88 Å²	88	49 Å²	49	54%	0.54	27%	0.268	S	S	.	.	S	Bend	trans	-66.6	134.3	174.1	-54	0	0	0	0	109.2	S569 H573	S569-T571 VanDerWaalsContact C-N 3.25Å; S569-T571 WeakPolarHBondContact OG-CB 3.32Å; S569-T571 PolarHBondContact OG-N 2.84Å; S569-T571 PolarHBondContact OG-OG1 3.4Å; T571-H573 PolarHBondContact O-CD2 3.13Å; T571-H573 PolarHBondContact O-N 3.21Å
572	V	95.1	Very high	95.9	Very high	62 Å²	62	51.5 Å²	51.5	38%	0.376	28%	0.281	S	S	.	.			trans	-75.6	106.7	174.5	-175.4	0	0	0	0	109.1	T563 V597	T563-V572 HydrophobicContact CG2-CG1 4.06Å; V572-V597 HydrophobicContact CG1-CB 4.4Å; V572-V597 HydrophobicContact CG1-CG2 4.28Å; V572-V597 HydrophobicContact CG2-CB 4.5Å; V572-V597 HydrophobicContact CG2-CG1 4.07Å
573	H	95.2	Very high	95.9	Very high	60 Å²	60	54 Å²	54	28%	0.278	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	147.7	173.4	-61	-80.6	0	0	0	110.1	T563 Y564 S569 T571	T563-H573 CarbonylContact C-O 3.49Å; T563-H573 VanDerWaalsContact CA-O 3.25Å; T563-H573 WeakPolarHBondContact CA-O 3.24Å; Y564-H573 HydrophobicContact CD1-CB 3.82Å; Y564-H573 HydrophobicContact CD2-CB 4.03Å; Y564-H573 HydrophobicContact CE1-CB 3.4Å; Y564-H573 VanDerWaalsContact CE1-CB 3.4Å; Y564-H573 HydrophobicContact CE2-CB 3.63Å; Y564-H573 AromaticContact CE2-CD2 3.96Å; Y564-H573 AromaticContact CE2-CG 3.91Å; Y564-H573 HydrophobicContact CG-CB 4.11Å; Y564-H573 AromaticContact CZ-CG 3.9Å; Y564-H573 PolarHBondContact N-O 3.4Å; Y564-H573 PolarHBondContact O-N 3.42Å; S569-H573 PolarHBondContact OG-NE2 2.88Å; T571-H573 PolarHBondContact O-CD2 3.13Å; T571-H573 PolarHBondContact O-N 3.21Å
574	R	93.9	Very high	95.7	Very high	74 Å²	74	54.5 Å²	54.5	28%	0.279	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	135.2	-172.3	-63.8	179.6	178	-78.9	3.4	111.1	D440 W504 L562 T563	D440-R574 PolarHBondContact O-NH1 3.27Å; D440-R574 IonicContact OD1-CZ 2.61Å; D440-R574 IonicContact OD1-NH1 2.81Å; D440-R574 PolarHBondContact OD1-NH1 3.4Å; D440-R574 IonicContact OD1-NH2 2.69Å; D440-R574 PolarHBondContact OD1-NH2 3.45Å; D440-R574 IonicContact OD2-CZ 2.96Å; D440-R574 IonicContact OD2-NH1 3.74Å; D440-R574 PolarHBondContact OD2-NH1 3.43Å; D440-R574 IonicContact OD2-NH2 2.69Å; W504-R574 HydrophobicContact CD2-CB 4.16Å; W504-R574 HydrophobicContact CE3-CB 3.87Å; W504-R574 HydrophobicContact CH2-CB 3.93Å; W504-R574 HydrophobicContact CH2-CG 4.07Å; W504-R574 HydrophobicContact CZ2-CB 4.21Å; W504-R574 HydrophobicContact CZ2-CG 4.16Å; W504-R574 HydrophobicContact CZ3-CB 3.78Å; W504-R574 HydrophobicContact CZ3-CG 4.43Å; L562-R574 WeakPolarHBondContact O-CA 3.35Å; T563-R574 HydrophobicContact CG2-CG 4.44Å
575	F	94.6	Very high	95.6	Very high	22 Å²	22	60.5 Å²	60.5	10%	0.096	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	128.6	-179.3	-175.1	-87.3	0	0	0	110.1	L539 L562 L577 D582 L584	L539-F575 HydrophobicContact CD1-CD1 4.02Å; L539-F575 HydrophobicContact CD1-CE1 4Å; L562-F575 WeakPolarHBondContact CA-O 3.46Å; L562-F575 HydrophobicContact CB-CB 4.37Å; L562-F575 VanDerWaalsContact CB-O 3.24Å; L562-F575 WeakPolarHBondContact CB-O 3.42Å; L562-F575 HydrophobicContact CD1-CD1 4.11Å; L562-F575 PolarHBondContact N-O 2.86Å; L562-F575 PolarHBondContact O-N 3.11Å; F575-L577 HydrophobicContact CD1-CB 4.35Å; F575-L577 HydrophobicContact CE1-CB 4.25Å; F575-L577 HydrophobicContact CE1-CD1 4.24Å; F575-D582 HydrophobicContact CE1-CB 4.18Å; F575-D582 HydrophobicContact CZ-CB 4.08Å; F575-D582 WeakPolarHBondContact CZ-OD2 3.37Å; F575-L584 HydrophobicContact CB-CD2 4.36Å; F575-L584 HydrophobicContact CD2-CB 4.19Å; F575-L584 HydrophobicContact CD2-CD2 4.17Å; F575-L584 HydrophobicContact CE2-CB 4.1Å; F575-L584 HydrophobicContact CG-CD2 4.19Å
576	L	94.9	Very high	95.5	Very high	13 Å²	13	59.8 Å²	59.8	7%	0.068	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	103.2	179.7	-178.6	58.8	0	0	0	110.1	F441 W504 I515 Q559 K578	F441-L576 HydrophobicContact CE2-CD1 4.43Å; F441-L576 HydrophobicContact CE2-CD2 4.45Å; F441-L576 HydrophobicContact CZ-CD2 4.5Å; W504-L576 HydrophobicContact CE3-CB 4.2Å; I515-L576 HydrophobicContact CD1-CD1 4.46Å; I515-L576 HydrophobicContact CD1-CD2 4.2Å; Q559-L576 HydrophobicContact CB-CD1 4.3Å; L576-K578 HydrophobicContact CD2-CD 4.44Å; L576-K578 HydrophobicContact CD2-CG 4.28Å; L576-K578 HydrophobicContact CG-CG 3.96Å; L576-K578 PolarHBondContact O-N 2.93Å
577	L	96.3	Very high	95.3	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	103.2	178.5	-178.5	64.5	0	0	0	109.8	L539 Q541 Q559 I560 L562 F575 T579 D582	L539-L577 HydrophobicContact CB-CD1 4.48Å; Q541-L577 HydrophobicContact CB-CD2 4.04Å; Q541-L577 HydrophobicContact CG-CD2 4.11Å; Q559-L577 WeakPolarHBondContact CA-O 3.44Å; I560-L577 HydrophobicContact CB-CB 4.37Å; I560-L577 HydrophobicContact CD1-CD2 4.34Å; I560-L577 PolarHBondContact N-O 2.85Å; I560-L577 PolarHBondContact O-N 3.1Å; L562-L577 HydrophobicContact CD1-CB 3.82Å; L562-L577 HydrophobicContact CD1-CD2 4.19Å; L562-L577 HydrophobicContact CG-CB 4.15Å; F575-L577 HydrophobicContact CD1-CB 4.35Å; F575-L577 HydrophobicContact CE1-CB 4.25Å; F575-L577 HydrophobicContact CE1-CD1 4.24Å; L577-T579 WeakPolarHBondContact CD1-O 3.16Å; L577-D582 HydrophobicContact CD1-CB 3.47Å; L577-D582 VanDerWaalsContact CD1-CB 3.47Å
578	K	95	Very high	95.3	Very high	70 Å²	70	67.6 Å²	67.6	30%	0.304	36%	0.359	S	S	.	.			trans	-96.8	-18.2	-179	-59.5	-176.9	-175.5	175	0	113.8	S506 Q559 L576	S506-K578 PolarHBondContact OG-NZ 3.47Å; Q559-K578 HydrophobicContact CG-CG 4.42Å; L576-K578 HydrophobicContact CD2-CD 4.44Å; L576-K578 HydrophobicContact CD2-CG 4.28Å; L576-K578 HydrophobicContact CG-CG 3.96Å; L576-K578 PolarHBondContact O-N 2.93Å
579	T	96.3	Very high	95.3	Very high	68 Å²	68	71.7 Å²	71.7	42%	0.417	37%	0.369	S	S	.	.	S	Bend	trans	-113.8	166.7	-174	50.2	0	0	0	0	111	Q541 L577 M581	Q541-T579 PolarHBondContact NE2-O 3.47Å; L577-T579 WeakPolarHBondContact CD1-O 3.16Å; T579-M581 PolarHBondContact O-N 3.23Å; T579-M581 PolarHBondContact OG1-O 2.8Å
580	K	97.1	Very high	95.4	Very high	144 Å²	144	71.5 Å²	71.5	63%	0.626	37%	0.366	S	S	*	.	S	Bend	trans	-60.9	-33.4	177.1	-172.4	167.9	-174.6	168.5	0	112.6	S540 Q541 L557	S540-K580 CarbonylContact C-O 3.5Å; S540-K580 VanDerWaalsContact CA-O 3.25Å; S540-K580 WeakPolarHBondContact CA-O 3.25Å; Q541-K580 PolarHBondContact N-O 3.3Å; L557-K580 HydrophobicContact CD1-CB 4.43Å
581	M	97.6	Very high	95.6	Very high	138 Å²	138	72.9 Å²	72.9	68%	0.68	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.3	146.5	175.7	-59.1	-176.2	-61.3	0	0	110	L539 T579	L539-M581 CarbonylContact O-C 3.44Å; L539-M581 WeakPolarHBondContact O-CA 3.46Å; T579-M581 PolarHBondContact O-N 3.23Å; T579-M581 PolarHBondContact OG1-O 2.8Å
582	D	97.6	Very high	95.7	Very high	61 Å²	61	70.4 Å²	70.4	33%	0.326	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	171.8	172.3	-148.8	-21.6	0	0	0	110.3	L539 F575 L577	L539-D582 PolarHBondContact N-O 2.72Å; L539-D582 PolarHBondContact O-N 3.27Å; F575-D582 HydrophobicContact CE1-CB 4.18Å; F575-D582 HydrophobicContact CZ-CB 4.08Å; F575-D582 WeakPolarHBondContact CZ-OD2 3.37Å; L577-D582 HydrophobicContact CD1-CB 3.47Å; L577-D582 VanDerWaalsContact CD1-CB 3.47Å
583	V	96.4	Very high	95.8	Very high	52 Å²	52	67.8 Å²	67.8	32%	0.315	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	131.9	-179.3	-177.9	0	0	0	0	109.7	E536 V537 R538 Y585	E536-V583 HydrophobicContact CG-CG1 3.53Å; V537-V583 WeakPolarHBondContact O-CA 3.3Å; R538-V583 HydrophobicContact CG-CG2 4.21Å; V583-Y585 HydrophobicContact CG1-CE1 4.49Å; V583-Y585 HydrophobicContact CG1-CE2 3.95Å
584	L	94.7	Very high	95.9	Very high	11 Å²	11	65 Å²	65	6%	0.058	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	151.1	166.8	70.9	81.1	0	0	0	110.9	V537 L539 Y564 F575 L586 F595	V537-L584 HydrophobicContact CB-CD1 3.62Å; V537-L584 HydrophobicContact CB-CG 3.87Å; V537-L584 HydrophobicContact CG1-CD1 4.28Å; V537-L584 HydrophobicContact CG1-CG 4.29Å; V537-L584 HydrophobicContact CG2-CD1 3.77Å; V537-L584 PolarHBondContact N-O 3.41Å; V537-L584 PolarHBondContact O-N 3.05Å; L539-L584 HydrophobicContact CD1-CD2 3.87Å; L539-L584 HydrophobicContact CD1-CG 4.4Å; Y564-L584 HydrophobicContact CD1-CD2 4.3Å; Y564-L584 HydrophobicContact CE1-CD2 3.77Å; F575-L584 HydrophobicContact CB-CD2 4.36Å; F575-L584 HydrophobicContact CD2-CB 4.19Å; F575-L584 HydrophobicContact CD2-CD2 4.17Å; F575-L584 HydrophobicContact CE2-CB 4.1Å; F575-L584 HydrophobicContact CG-CD2 4.19Å; L584-L586 HydrophobicContact CD1-CD2 3.85Å; L584-L586 HydrophobicContact CD1-CG 4.29Å; L584-F595 HydrophobicContact CD2-CE1 4.34Å; L584-F595 HydrophobicContact CD2-CZ 4.08Å
585	Y	95.3	Very high	96.1	Very high	152 Å²	152	61.5 Å²	61.5	60%	0.596	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.1	121.4	179	-69.8	-81.3	0	0	0	110.2	R535 E536 V583	R535-Y585 WeakPolarHBondContact O-CA 3.43Å; E536-Y585 HydrophobicContact CB-CD1 4.23Å; E536-Y585 HydrophobicContact CB-CE1 3.86Å; E536-Y585 HydrophobicContact CG-CD1 4.44Å; E536-Y585 HydrophobicContact CG-CE1 3.78Å; E536-Y585 PolarHBondContact OE2-OH 3.28Å; V583-Y585 HydrophobicContact CG1-CE1 4.49Å; V583-Y585 HydrophobicContact CG1-CE2 3.95Å
586	L	95.4	Very high	96.3	Very high	3 Å²	3	60.4 Å²	60.4	2%	0.016	30%	0.3	C	S	.	.			trans	-73	150.3	174.8	-61.8	176.6	0	0	0	110.7	R535 V537 Y564 T566 L584 E588 V590 V593	R535-L586 PolarHBondContact O-N 2.85Å; V537-L586 HydrophobicContact CG2-CD1 3.7Å; V537-L586 HydrophobicContact CG2-CD2 4.25Å; V537-L586 HydrophobicContact CG2-CG 3.69Å; Y564-L586 HydrophobicContact CE2-CD2 3.73Å; T566-L586 HydrophobicContact CG2-CD2 4.18Å; L584-L586 HydrophobicContact CD1-CD2 3.85Å; L584-L586 HydrophobicContact CD1-CG 4.29Å; L586-E588 VanDerWaalsContact C-N 3.28Å; L586-E588 VanDerWaalsContact CB-O 3.32Å; L586-E588 WeakPolarHBondContact CB-O 3.37Å; L586-E588 PolarHBondContact O-N 2.77Å; L586-V590 HydrophobicContact CD1-CG2 3.6Å; L586-V593 HydrophobicContact CD1-CG2 3.87Å
587	P	94.4	Very high	96.4	Very high	104 Å²	104	60.3 Å²	60.3	68%	0.675	30%	0.3	S	S	*	.	S	Bend	trans	-62.3	-38.6	177.5	24.5	-32.6	0	0	0	111.7	R535	R535-P587 PolarHBondContact NH1-O 2.96Å
588	E	95.3	Very high	96.3	Very high	110 Å²	110	64 Å²	64	51%	0.514	32%	0.32	S	S	.	.	S	Bend	trans	-137.5	168.2	179.6	64.8	-168.9	116.4	0	0	111.3	A568 L586 V590	A568-E588 HydrophobicContact CB-CG 4.2Å; L586-E588 VanDerWaalsContact C-N 3.28Å; L586-E588 VanDerWaalsContact CB-O 3.32Å; L586-E588 WeakPolarHBondContact CB-O 3.37Å; L586-E588 PolarHBondContact O-N 2.77Å; E588-V590 HydrophobicContact CG-CG1 4.23Å
589	E	96.3	Very high	96.3	Very high	140 Å²	140	61 Å²	61	65%	0.654	31%	0.307	S	S	*	.			trans	-74.9	141.7	170.8	-62.5	-170.1	173.4	0	0	109.4	G534 R535	G534-E589 WeakPolarHBondContact CA-OE1 3.28Å; R535-E589 HydrophobicContact CG-CG 3.65Å
590	V	96.6	Very high	96.2	Very high	27 Å²	27	58.6 Å²	58.6	16%	0.164	29%	0.293	C	S	.	.			trans	-132.7	152.1	-173.2	-61.1	0	0	0	0	110.6	T566 A568 L586 E588 W592 V593	T566-V590 HydrophobicContact CG2-CG1 4.41Å; T566-V590 HydrophobicContact CG2-CG2 4.31Å; A568-V590 HydrophobicContact CB-CG1 3.95Å; L586-V590 HydrophobicContact CD1-CG2 3.6Å; E588-V590 HydrophobicContact CG-CG1 4.23Å; V590-W592 VanDerWaalsContact C-N 3.32Å; V590-W592 WeakPolarHBondContact CG2-O 3.41Å; V590-V593 HydrophobicContact CG2-CG2 3.56Å
591	D	95	Very high	96.2	Very high	132 Å²	132	51.9 Å²	51.9	71%	0.706	27%	0.265	S	S	*	.	S	Bend	trans	-71.3	-30.8	-178.8	-59.6	-49.9	0	0	0	112	S567	S567-D591 PolarHBondContact OG-N 2.93Å
592	W	96	Very high	96.2	Very high	35 Å²	35	45.4 Å²	45.4	13%	0.133	23%	0.233	C	C	.	.			trans	-155.4	155.3	177.9	53.9	-97.4	0	0	0	111	M565 T566 S567 V590 K594 L618 L626	M565-W592 HydrophobicContact CE-CH2 3.58Å; M565-W592 HydrophobicContact CE-CZ3 3.95Å; M565-W592 HydrophobicContact CG-CZ3 4.25Å; T566-W592 VanDerWaalsContact C-CH2 3.44Å; T566-W592 WeakPolarHBondContact CA-O 3.44Å; T566-W592 VanDerWaalsContact O-CH2 3.28Å; T566-W592 WeakPolarHBondContact O-CH2 3.4Å; S567-W592 VanDerWaalsContact CA-CE2 3.47Å; S567-W592 VanDerWaalsContact CA-CZ2 3.46Å; S567-W592 VanDerWaalsContact CB-NE1 3.32Å; S567-W592 PolarHBondContact N-O 3.37Å; S567-W592 VanDerWaalsContact N-O 3.12Å; V590-W592 VanDerWaalsContact C-N 3.32Å; V590-W592 WeakPolarHBondContact CG2-O 3.41Å; W592-K594 HydrophobicContact CE3-CB 4.36Å; W592-K594 HydrophobicContact CZ3-CB 4.22Å; W592-L618 HydrophobicContact CD2-CD2 3.7Å; W592-L618 HydrophobicContact CE3-CD2 4.31Å; W592-L618 HydrophobicContact CG-CD2 3.92Å; W592-L618 HydrophobicContact CZ2-CD2 4.05Å; W592-L626 HydrophobicContact CH2-CD2 4.1Å; W592-L626 HydrophobicContact CZ3-CD2 4.05Å
593	V	97.4	Very high	96.3	Very high	7 Å²	7	42.5 Å²	42.5	4%	0.042	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	132.3	170.9	-175	0	0	0	0	107.5	V532 Y564 T566 L586 V590 F595 Y607	V532-V593 HydrophobicContact CG2-CG2 4.24Å; Y564-V593 HydrophobicContact CD2-CG1 4.14Å; T566-V593 HydrophobicContact CG2-CG1 4.34Å; T566-V593 HydrophobicContact CG2-CG2 4.2Å; L586-V593 HydrophobicContact CD1-CG2 3.87Å; V590-V593 HydrophobicContact CG2-CG2 3.56Å; V593-F595 HydrophobicContact CB-CE2 4.47Å; V593-F595 HydrophobicContact CG1-CD2 3.76Å; V593-F595 HydrophobicContact CG1-CE2 3.45Å; V593-F595 VanDerWaalsContact CG1-CE2 3.45Å; V593-F595 HydrophobicContact CG1-CZ 4.36Å; V593-Y607 WeakPolarHBondContact O-CE1 3.43Å
594	K	98.1	Very high	96.4	Very high	1 Å²	1	40 Å²	40	0%	0.004	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	115.3	174	172.5	56.5	171.1	61.1	0	108.7	Y564 M565 W592 N596 Y607 L626 D630 S633 L634	Y564-K594 CarbonylContact C-O 3.53Å; Y564-K594 WeakPolarHBondContact CA-O 3.48Å; Y564-K594 WeakPolarHBondContact CB-O 3.42Å; M565-K594 HydrophobicContact CG-CB 4.1Å; M565-K594 PolarHBondContact N-O 2.95Å; M565-K594 PolarHBondContact O-N 2.93Å; W592-K594 HydrophobicContact CE3-CB 4.36Å; W592-K594 HydrophobicContact CZ3-CB 4.22Å; K594-N596 PolarHBondContact NZ-O 3.13Å; K594-Y607 WeakPolarHBondContact CD-OH 3.34Å; K594-L626 HydrophobicContact CB-CD2 4.21Å; K594-L626 HydrophobicContact CG-CD2 4.21Å; K594-D630 WeakPolarHBondContact CE-OD1 3.27Å; K594-D630 IonicContact NZ-OD1 3.1Å; K594-D630 PolarHBondContact NZ-OD1 3.18Å; K594-S633 WeakPolarHBondContact CE-OG 3.44Å; K594-S633 PolarHBondContact NZ-OG 3.31Å; K594-L634 HydrophobicContact CD-CD1 4.35Å; K594-L634 HydrophobicContact CD-CD2 4.03Å; K594-L634 HydrophobicContact CD-CG 4.25Å
595	F	98.6	Very high	96.5	Very high	1 Å²	1	39.5 Å²	39.5	0%	0.004	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	162.8	170.7	-80.7	-98.7	0	0	0	111.7	V530 V537 L539 L562 T563 Y564 L584 V593 V605 Y607	V530-F595 HydrophobicContact CB-CD2 4.42Å; V530-F595 HydrophobicContact CB-CE2 4.41Å; V530-F595 HydrophobicContact CG1-CD2 3.95Å; V530-F595 HydrophobicContact CG1-CE2 3.58Å; V530-F595 HydrophobicContact CG1-CZ 4.48Å; V530-F595 HydrophobicContact CG2-CD2 3.63Å; V530-F595 HydrophobicContact CG2-CE2 3.87Å; V530-F595 HydrophobicContact CG2-CG 4.09Å; V537-F595 HydrophobicContact CG1-CE2 4.02Å; V537-F595 HydrophobicContact CG1-CZ 3.98Å; L539-F595 HydrophobicContact CD1-CE1 4.38Å; L539-F595 HydrophobicContact CD2-CE1 3.87Å; L539-F595 HydrophobicContact CD2-CE2 4.26Å; L539-F595 HydrophobicContact CD2-CZ 3.66Å; L562-F595 HydrophobicContact CB-CD1 4.32Å; L562-F595 HydrophobicContact CB-CE1 4.45Å; L562-F595 HydrophobicContact CD1-CD1 4.44Å; L562-F595 HydrophobicContact CD1-CE1 4.22Å; T563-F595 CarbonylContact O-C 3.16Å; T563-F595 VanDerWaalsContact O-CA 3.25Å; T563-F595 WeakPolarHBondContact O-CA 3.35Å; Y564-F595 AromaticContact CD1-CE1 3.96Å; Y564-F595 HydrophobicContact CD1-CE1 3.96Å; Y564-F595 HydrophobicContact CD1-CZ 4.27Å; Y564-F595 HydrophobicContact CG-CE1 4.11Å; Y564-F595 HydrophobicContact CG-CZ 4.15Å; L584-F595 HydrophobicContact CD2-CE1 4.34Å; L584-F595 HydrophobicContact CD2-CZ 4.08Å; V593-F595 HydrophobicContact CB-CE2 4.47Å; V593-F595 HydrophobicContact CG1-CD2 3.76Å; V593-F595 HydrophobicContact CG1-CE2 3.45Å; V593-F595 VanDerWaalsContact CG1-CE2 3.45Å; V593-F595 HydrophobicContact CG1-CZ 4.36Å; F595-V605 HydrophobicContact CB-CG1 4.06Å; F595-V605 HydrophobicContact CB-CG2 3.84Å; F595-Y607 HydrophobicContact CD2-CE1 4.45Å; F595-Y607 PolarHBondContact N-OH 3.24Å
596	N	98.1	Very high	96.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	55.4	63.5	-175.4	-156.5	-4.3	0	0	0	111.9	T563 K594 N598 M599 S600 G601 Y603 V605	T563-N596 PolarHBondContact O-N 3.45Å; K594-N596 PolarHBondContact NZ-O 3.13Å; N596-N598 PolarHBondContact O-N 3.32Å; N596-M599 PolarHBondContact ND2-SD 2.91Å; N596-M599 PolarHBondContact O-N 2.87Å; N596-M599 VanDerWaalsContact OD1-CA 3.31Å; N596-M599 WeakPolarHBondContact OD1-CA 3.26Å; N596-S600 PolarHBondContact OD1-N 3.38Å; N596-G601 PolarHBondContact ND2-O 2.89Å; N596-G601 PolarHBondContact OD1-N 3.23Å; N596-Y603 VanDerWaalsContact CA-OH 3.26Å; N596-Y603 WeakPolarHBondContact CA-OH 3.48Å; N596-Y603 HydrophobicContact CB-CD2 4.32Å; N596-Y603 HydrophobicContact CB-CE1 4.44Å; N596-Y603 HydrophobicContact CB-CE2 3.52Å; N596-Y603 WeakPolarHBondContact CB-OH 3.5Å; N596-Y603 PolarHBondContact N-OH 3.42Å; N596-Y603 PolarHBondContact ND2-O 3.25Å; N596-V605 HydrophobicContact CB-CG2 4.09Å
597	V	97.6	Very high	96.8	Very high	10 Å²	10	33.7 Å²	33.7	6%	0.061	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-59.4	128.2	-177.3	-177	0	0	0	0	109.4	T563 M565 V572 M599 S600 D630	T563-V597 PolarHBondContact OG1-N 3.22Å; M565-V597 HydrophobicContact CB-CG2 4.27Å; M565-V597 HydrophobicContact CG-CG2 3.98Å; M565-V597 HydrophobicContact SD-CG1 4.26Å; M565-V597 HydrophobicContact SD-CG2 4.42Å; V572-V597 HydrophobicContact CG1-CB 4.4Å; V572-V597 HydrophobicContact CG1-CG2 4.28Å; V572-V597 HydrophobicContact CG2-CB 4.5Å; V572-V597 HydrophobicContact CG2-CG1 4.07Å; V597-M599 PolarHBondContact O-N 2.8Å; V597-M599 VanDerWaalsContact O-N 3.11Å; V597-S600 PolarHBondContact O-N 3.07Å; V597-S600 PolarHBondContact O-OG 3.17Å; V597-D630 WeakPolarHBondContact CA-OD1 3.31Å
598	N	94.6	Very high	96.9	Very high	78 Å²	78	30 Å²	30	42%	0.417	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	58.1	13.3	-174.2	-63.1	-35.8	0	0	0	115.5	N596 S600 S627 N629 D630	N596-N598 PolarHBondContact O-N 3.32Å; N598-S600 VanDerWaalsContact C-N 3.28Å; N598-S600 PolarHBondContact O-N 3.25Å; N598-S627 VanDerWaalsContact OD1-CB 3.27Å; N598-S627 WeakPolarHBondContact OD1-CB 3.43Å; N598-S627 PolarHBondContact OD1-OG 2.99Å; N598-N629 HydrophobicContact CB-CB 4.37Å; N598-D630 PolarHBondContact N-OD1 3.03Å
599	M	94.7	Very high	96.7	Very high	6 Å²	6	28.1 Å²	28.1	3%	0.03	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	53.1	44.1	-170	-165.2	85.5	-176.7	0	0	112.4	L391 F395 M398 N596 V597 G601 Y603	L391-M599 HydrophobicContact CD1-CB 3.41Å; L391-M599 VanDerWaalsContact CD1-CB 3.41Å; L391-M599 HydrophobicContact CD1-CG 3.36Å; L391-M599 HydrophobicContact CD2-CB 4.39Å; F395-M599 HydrophobicContact CE1-CE 4.11Å; F395-M599 HydrophobicContact CE1-CG 4.24Å; F395-M599 HydrophobicContact CE1-SD 4.17Å; M398-M599 HydrophobicContact CE-CE 3.33Å; M398-M599 HydrophobicContact SD-CE 3.76Å; N596-M599 PolarHBondContact ND2-SD 2.91Å; N596-M599 PolarHBondContact O-N 2.87Å; N596-M599 VanDerWaalsContact OD1-CA 3.31Å; N596-M599 WeakPolarHBondContact OD1-CA 3.26Å; V597-M599 PolarHBondContact O-N 2.8Å; V597-M599 VanDerWaalsContact O-N 3.11Å; M599-G601 VanDerWaalsContact C-N 3.26Å; M599-G601 PolarHBondContact O-N 3.12Å; M599-Y603 WeakPolarHBondContact CE-O 3.38Å
600	S	93.4	Very high	96.5	Very high	18 Å²	18	27.3 Å²	27.3	13%	0.126	16%	0.162	C	C	.	.			trans	-72	-20.9	176.5	65	0	0	0	0	113.3	M437 D440 N596 V597 N598	M437-S600 VanDerWaalsContact CA-O 3.27Å; M437-S600 WeakPolarHBondContact CA-O 3.5Å; M437-S600 WeakPolarHBondContact CB-O 3.15Å; D440-S600 PolarHBondContact OD2-OG 2.89Å; N596-S600 PolarHBondContact OD1-N 3.38Å; V597-S600 PolarHBondContact O-N 3.07Å; V597-S600 PolarHBondContact O-OG 3.17Å; N598-S600 VanDerWaalsContact C-N 3.28Å; N598-S600 PolarHBondContact O-N 3.25Å
601	G	97.3	Very high	96.4	Very high	4 Å²	4	27 Å²	27	4%	0.041	17%	0.165	C	C	.	.	S	Bend	trans	-102.9	147.2	177.6	0	0	0	0	0	113.9	N596 M599 Y603	N596-G601 PolarHBondContact ND2-O 2.89Å; N596-G601 PolarHBondContact OD1-N 3.23Å; M599-G601 VanDerWaalsContact C-N 3.26Å; M599-G601 PolarHBondContact O-N 3.12Å; G601-Y603 PolarHBondContact O-N 2.92Å
602	Y	98.6	Very high	96.6	Very high	1 Å²	1	21.2 Å²	21.2	0%	0.004	13%	0.133	C	C	.	.	S	Bend	trans	-82.9	58.5	179	-162.4	-106.1	0	0	0	111.9	C394 A397 M398 K430 C433 I434 W519 F525	C394-Y602 HydrophobicContact CB-CD2 4.31Å; C394-Y602 HydrophobicContact CB-CE2 4.33Å; A397-Y602 HydrophobicContact CB-CE2 4.19Å; A397-Y602 WeakPolarHBondContact CB-OH 3.43Å; M398-Y602 HydrophobicContact CE-CD1 4.42Å; M398-Y602 HydrophobicContact CE-CD2 3.76Å; M398-Y602 HydrophobicContact CE-CE2 3.95Å; M398-Y602 HydrophobicContact CE-CG 4.03Å; M398-Y602 HydrophobicContact CG-CE2 3.85Å; M398-Y602 PolarHBondContact N-OH 2.95Å; K430-Y602 HydrophobicContact CB-CE1 4.42Å; K430-Y602 HydrophobicContact CB-CE2 4.42Å; K430-Y602 HydrophobicContact CD-CD1 4.5Å; K430-Y602 HydrophobicContact CD-CE1 3.67Å; K430-Y602 HydrophobicContact CG-CD1 4.24Å; K430-Y602 HydrophobicContact CG-CE1 3.65Å; K430-Y602 HydrophobicContact CG-CE2 4.35Å; C433-Y602 HydrophobicContact CB-CD2 3.56Å; C433-Y602 HydrophobicContact CB-CE2 4.05Å; C433-Y602 HydrophobicContact CB-CG 4.42Å; I434-Y602 HydrophobicContact CG2-CD1 4.32Å; I434-Y602 HydrophobicContact CG2-CG 4.23Å; W519-Y602 HydrophobicContact CE3-CD1 4.45Å; W519-Y602 WeakPolarHBondContact CH2-O 3.35Å; W519-Y602 HydrophobicContact CZ3-CD1 4.12Å; W519-Y602 WeakPolarHBondContact CZ3-O 3.34Å; F525-Y602 HydrophobicContact CB-CD1 3.78Å; F525-Y602 HydrophobicContact CB-CE1 3.73Å; F525-Y602 HydrophobicContact CD1-CE1 4.13Å; F525-Y602 HydrophobicContact CG-CE1 4.19Å
603	Y	98.6	Very high	96.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.144	C	C	.	.			trans	-147.5	152.5	178.9	61.8	-90.3	0	0	0	111.7	P526 V528 I560 L562 T563 N596 M599 G601 V605	P526-Y603 WeakPolarHBondContact O-CA 3.48Å; P526-Y603 WeakPolarHBondContact O-CB 3.47Å; V528-Y603 HydrophobicContact CB-CD2 4.32Å; V528-Y603 HydrophobicContact CG2-CD2 3.69Å; V528-Y603 HydrophobicContact CG2-CE2 4.31Å; V528-Y603 HydrophobicContact CG2-CG 4.28Å; I560-Y603 HydrophobicContact CG2-CD1 3.4Å; I560-Y603 VanDerWaalsContact CG2-CD1 3.4Å; I560-Y603 HydrophobicContact CG2-CD2 4.43Å; I560-Y603 HydrophobicContact CG2-CE1 3.7Å; I560-Y603 HydrophobicContact CG2-CG 3.83Å; L562-Y603 WeakPolarHBondContact CA-OH 3.46Å; L562-Y603 HydrophobicContact CD2-CD2 4.14Å; L562-Y603 HydrophobicContact CD2-CE1 4.12Å; L562-Y603 HydrophobicContact CD2-CE2 3.54Å; T563-Y603 PolarHBondContact N-OH 2.94Å; N596-Y603 VanDerWaalsContact CA-OH 3.26Å; N596-Y603 WeakPolarHBondContact CA-OH 3.48Å; N596-Y603 HydrophobicContact CB-CD2 4.32Å; N596-Y603 HydrophobicContact CB-CE1 4.44Å; N596-Y603 HydrophobicContact CB-CE2 3.52Å; N596-Y603 WeakPolarHBondContact CB-OH 3.5Å; N596-Y603 PolarHBondContact N-OH 3.42Å; N596-Y603 PolarHBondContact ND2-O 3.25Å; M599-Y603 WeakPolarHBondContact CE-O 3.38Å; G601-Y603 PolarHBondContact O-N 2.92Å; Y603-V605 HydrophobicContact CD2-CG2 4.09Å; Y603-V605 HydrophobicContact CE2-CG2 3.91Å
604	M	97.9	Very high	96.6	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	156.7	175.2	-73.8	-174.4	33	0	0	111.6	M398 F525 P526 L527 V528 F544 N637 Q640 L641	M398-M604 HydrophobicContact SD-CG 4.21Å; F525-M604 HydrophobicContact CD2-CG 4.34Å; F525-M604 HydrophobicContact CE2-CB 4.31Å; F525-M604 HydrophobicContact CE2-CG 3.61Å; F525-M604 HydrophobicContact CE2-SD 3.6Å; F525-M604 VanDerWaalsContact CE2-SD 3.6Å; F525-M604 HydrophobicContact CZ-CG 4.45Å; F525-M604 HydrophobicContact CZ-SD 3.98Å; P526-M604 PolarHBondContact O-N 3.19Å; L527-M604 HydrophobicContact CD1-CB 3.9Å; V528-M604 PolarHBondContact N-O 2.68Å; F544-M604 HydrophobicContact CD1-SD 4.13Å; F544-M604 HydrophobicContact CD2-CE 3.86Å; F544-M604 HydrophobicContact CD2-SD 4.25Å; F544-M604 HydrophobicContact CE1-CE 4.42Å; F544-M604 HydrophobicContact CE1-SD 4.09Å; F544-M604 HydrophobicContact CE2-CE 3.57Å; F544-M604 HydrophobicContact CE2-SD 4.22Å; F544-M604 HydrophobicContact CG-CE 4.42Å; F544-M604 HydrophobicContact CG-SD 4.21Å; F544-M604 HydrophobicContact CZ-CE 3.88Å; F544-M604 HydrophobicContact CZ-SD 4.15Å; M604-N637 WeakPolarHBondContact CG-ND2 3.41Å; M604-Q640 HydrophobicContact CE-CB 3.48Å; M604-Q640 VanDerWaalsContact CE-CB 3.48Å; M604-Q640 HydrophobicContact CE-CG 4.4Å; M604-Q640 HydrophobicContact SD-CB 3.95Å; M604-Q640 HydrophobicContact SD-CG 4.3Å; M604-L641 HydrophobicContact CE-CG 4.28Å
605	V	98.6	Very high	96.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	130.7	178.1	-173.3	0	0	0	0	111.5	V528 V530 F595 N596 Y603 Y607 N637	V528-V605 CarbonylContact O-C 3.55Å; V528-V605 WeakPolarHBondContact O-CA 3.41Å; V530-V605 HydrophobicContact CG2-CG1 3.72Å; F595-V605 HydrophobicContact CB-CG1 4.06Å; F595-V605 HydrophobicContact CB-CG2 3.84Å; N596-V605 HydrophobicContact CB-CG2 4.09Å; Y603-V605 HydrophobicContact CD2-CG2 4.09Å; Y603-V605 HydrophobicContact CE2-CG2 3.91Å; V605-Y607 HydrophobicContact CB-CE2 4.24Å; V605-Y607 HydrophobicContact CG1-CD1 4.4Å; V605-Y607 HydrophobicContact CG1-CD2 4.27Å; V605-Y607 HydrophobicContact CG1-CE1 3.9Å; V605-Y607 HydrophobicContact CG1-CE2 3.72Å; V605-N637 PolarHBondContact N-OD1 2.98Å
606	H	98.6	Very high	96.6	Very high	24 Å²	24	24.9 Å²	24.9	11%	0.111	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	125.6	168.2	172.7	48.9	0	0	0	110.4	L527 V528 T529 V530 W612 L641	L527-H606 HydrophobicContact CD1-CB 3.88Å; L527-H606 HydrophobicContact CD2-CB 4.35Å; L527-H606 HydrophobicContact CG-CB 4.34Å; V528-H606 PolarHBondContact O-N 2.75Å; T529-H606 CarbonylContact C-O 3.18Å; T529-H606 WeakPolarHBondContact CA-O 3.35Å; V530-H606 PolarHBondContact N-O 3.31Å; H606-W612 AromaticContact CE1-NE1 3.97Å; H606-W612 AromaticContact ND1-NE1 3.39Å; H606-W612 PolarHBondContact ND1-NE1 2.83Å; H606-L641 HydrophobicContact CB-CD1 3.81Å; H606-L641 HydrophobicContact CB-CD2 3.96Å
607	Y	98.3	Very high	96.6	Very high	8 Å²	8	31.3 Å²	31.3	3%	0.031	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	107.1	174.7	-58.9	-84.7	0	0	0	110.4	V530 V593 K594 F595 V605 W612 I615 L634	V530-Y607 HydrophobicContact CB-CD1 4.13Å; V530-Y607 HydrophobicContact CB-CE1 4.47Å; V530-Y607 HydrophobicContact CG1-CD1 4.33Å; V593-Y607 WeakPolarHBondContact O-CE1 3.43Å; K594-Y607 WeakPolarHBondContact CD-OH 3.34Å; F595-Y607 HydrophobicContact CD2-CE1 4.45Å; F595-Y607 PolarHBondContact N-OH 3.24Å; V605-Y607 HydrophobicContact CB-CE2 4.24Å; V605-Y607 HydrophobicContact CG1-CD1 4.4Å; V605-Y607 HydrophobicContact CG1-CD2 4.27Å; V605-Y607 HydrophobicContact CG1-CE1 3.9Å; V605-Y607 HydrophobicContact CG1-CE2 3.72Å; Y607-W612 HydrophobicContact CD2-CD2 4.22Å; Y607-W612 HydrophobicContact CD2-CE3 4.37Å; Y607-W612 HydrophobicContact CD2-CH2 4.09Å; Y607-W612 AromaticContact CD2-CZ2 3.92Å; Y607-W612 HydrophobicContact CD2-CZ2 3.92Å; Y607-W612 HydrophobicContact CD2-CZ3 4.31Å; Y607-W612 HydrophobicContact CE2-CH2 4.38Å; Y607-I615 HydrophobicContact CD2-CG1 4.5Å; Y607-L634 HydrophobicContact CE2-CD2 3.8Å
608	A	94.9	Very high	96.6	Very high	27 Å²	27	31.8 Å²	31.8	22%	0.223	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	163.2	-179.1	0	0	0	0	0	112.4	T529 V530 E531 E610 G611	T529-A608 HydrophobicContact CG2-CB 4.11Å; V530-A608 PolarHBondContact O-N 2.74Å; E531-A608 HydrophobicContact CB-CB 4.29Å; A608-E610 PolarHBondContact O-N 2.9Å; A608-G611 PolarHBondContact O-N 3.24Å
609	G	91.9	Very high	96.7	Very high	70 Å²	70	28.1 Å²	28.1	72%	0.722	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.1	-129.9	179.6	0	0	0	0	0	112.6	G611	G609-G611 PolarHBondContact O-N 3.44Å
610	E	91.8	Very high	96.8	Very high	124 Å²	124	31.5 Å²	31.5	58%	0.579	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.5	5.7	179.9	-67.9	-62.9	144.5	0	0	113.9	A608 N613 S614	A608-E610 PolarHBondContact O-N 2.9Å; E610-N613 PolarHBondContact O-N 2.9Å; E610-N613 PolarHBondContact OE2-ND2 3.38Å; E610-S614 PolarHBondContact O-N 2.7Å; E610-S614 PolarHBondContact O-OG 2.86Å
611	G	95.1	Very high	97	Very high	21 Å²	21	40.7 Å²	40.7	22%	0.216	22%	0.217	C	C	.	.	H	α-helix	trans	-62	-48.7	-173.8	0	0	0	0	0	113.3	A608 G609 N613 S614 I615	A608-G611 PolarHBondContact O-N 3.24Å; G609-G611 PolarHBondContact O-N 3.44Å; G611-N613 PolarHBondContact O-N 2.74Å; G611-S614 WeakPolarHBondContact O-CB 3.28Å; G611-S614 PolarHBondContact O-N 3.3Å; G611-I615 WeakPolarHBondContact O-CG1 3.41Å; G611-I615 PolarHBondContact O-N 2.74Å
612	W	97.9	Very high	96.9	Very high	10 Å²	10	43.7 Å²	43.7	4%	0.038	23%	0.232	C	C	.	.	H	α-helix	trans	-62	-40.5	174.8	-80.9	118.5	0	0	0	112.8	H606 Y607 S614 I615 I616 L634 N637 V638 L641 T651 L655	H606-W612 AromaticContact CE1-NE1 3.97Å; H606-W612 AromaticContact ND1-NE1 3.39Å; H606-W612 PolarHBondContact ND1-NE1 2.83Å; Y607-W612 HydrophobicContact CD2-CD2 4.22Å; Y607-W612 HydrophobicContact CD2-CE3 4.37Å; Y607-W612 HydrophobicContact CD2-CH2 4.09Å; Y607-W612 AromaticContact CD2-CZ2 3.92Å; Y607-W612 HydrophobicContact CD2-CZ2 3.92Å; Y607-W612 HydrophobicContact CD2-CZ3 4.31Å; Y607-W612 HydrophobicContact CE2-CH2 4.38Å; W612-S614 VanDerWaalsContact C-N 3.25Å; W612-S614 PolarHBondContact O-N 3.21Å; W612-I615 HydrophobicContact CE3-CB 4.47Å; W612-I615 HydrophobicContact CE3-CG2 4.4Å; W612-I615 HydrophobicContact CZ3-CG2 4.43Å; W612-I615 PolarHBondContact O-N 3.12Å; W612-I616 VanDerWaalsContact O-CG1 3.26Å; W612-I616 WeakPolarHBondContact O-CG1 3.46Å; W612-I616 PolarHBondContact O-N 2.89Å; W612-L634 HydrophobicContact CH2-CD2 4.14Å; W612-L634 HydrophobicContact CZ3-CD2 3.92Å; W612-N637 HydrophobicContact CH2-CB 4.17Å; W612-N637 HydrophobicContact CZ2-CB 4.48Å; W612-V638 HydrophobicContact CD2-CG2 4.22Å; W612-V638 HydrophobicContact CE3-CB 4.37Å; W612-V638 HydrophobicContact CE3-CG2 4.15Å; W612-V638 HydrophobicContact CH2-CB 3.72Å; W612-V638 HydrophobicContact CH2-CG2 4.22Å; W612-V638 HydrophobicContact CZ2-CB 4.11Å; W612-V638 HydrophobicContact CZ2-CG2 4.28Å; W612-V638 HydrophobicContact CZ3-CB 3.85Å; W612-V638 HydrophobicContact CZ3-CG2 4.14Å; W612-L641 HydrophobicContact CZ2-CD1 3.66Å; W612-T651 HydrophobicContact CB-CG2 4.1Å; W612-L655 HydrophobicContact CE3-CD1 4.03Å; W612-L655 HydrophobicContact CZ3-CD1 3.83Å
613	N	96.9	Very high	96.9	Very high	68 Å²	68	45 Å²	45	36%	0.364	24%	0.238	S	C	.	.	H	α-helix	trans	-60.6	-37.1	176	-71.8	-20.9	0	0	0	112	E610 G611 K617	E610-N613 PolarHBondContact O-N 2.9Å; E610-N613 PolarHBondContact OE2-ND2 3.38Å; G611-N613 PolarHBondContact O-N 2.74Å; N613-K617 WeakPolarHBondContact O-CB 3.41Å; N613-K617 VanDerWaalsContact O-CG 3.26Å; N613-K617 WeakPolarHBondContact O-CG 3.38Å; N613-K617 PolarHBondContact O-N 2.92Å
614	S	96.7	Very high	96.8	Very high	37 Å²	37	49.6 Å²	49.6	26%	0.259	27%	0.266	S	S	.	.	H	α-helix	trans	-68.1	-42.6	177.1	-54.1	0	0	0	0	111.5	E610 G611 W612 K617 L618	E610-S614 PolarHBondContact O-N 2.7Å; E610-S614 PolarHBondContact O-OG 2.86Å; G611-S614 WeakPolarHBondContact O-CB 3.28Å; G611-S614 PolarHBondContact O-N 3.3Å; W612-S614 VanDerWaalsContact C-N 3.25Å; W612-S614 PolarHBondContact O-N 3.21Å; S614-K617 PolarHBondContact O-N 3.43Å; S614-L618 PolarHBondContact O-N 2.97Å
615	I	98.3	Very high	96.8	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.01	28%	0.28	C	S	.	.	H	α-helix	trans	-63	-45.5	173.5	-66.8	-69.4	0	0	0	111.6	Y607 G611 W612 K617 L618 L619 L634 L655	Y607-I615 HydrophobicContact CD2-CG1 4.5Å; G611-I615 WeakPolarHBondContact O-CG1 3.41Å; G611-I615 PolarHBondContact O-N 2.74Å; W612-I615 HydrophobicContact CE3-CB 4.47Å; W612-I615 HydrophobicContact CE3-CG2 4.4Å; W612-I615 HydrophobicContact CZ3-CG2 4.43Å; W612-I615 PolarHBondContact O-N 3.12Å; I615-K617 VanDerWaalsContact C-N 3.34Å; I615-K617 PolarHBondContact O-N 3.29Å; I615-L618 WeakPolarHBondContact O-CB 3.31Å; I615-L618 PolarHBondContact O-N 3.4Å; I615-L618 VanDerWaalsContact O-N 3.16Å; I615-L619 HydrophobicContact CG2-CD1 3.93Å; I615-L619 HydrophobicContact CG2-CG 4.37Å; I615-L619 WeakPolarHBondContact O-CG 3.29Å; I615-L619 PolarHBondContact O-N 3.35Å; I615-L634 HydrophobicContact CG2-CD1 3.67Å; I615-L634 HydrophobicContact CG2-CD2 4.03Å; I615-L634 HydrophobicContact CG2-CG 4.36Å; I615-L655 HydrophobicContact CG2-CD1 4.45Å
616	I	98.4	Very high	96.7	Very high	14 Å²	14	51.5 Å²	51.5	7%	0.072	28%	0.282	C	S	.	.	H	α-helix	trans	-60.6	-45.2	179	-69.5	167.6	0	0	0	110.4	W612 L618 L619 Q620 T651 L655	W612-I616 VanDerWaalsContact O-CG1 3.26Å; W612-I616 WeakPolarHBondContact O-CG1 3.46Å; W612-I616 PolarHBondContact O-N 2.89Å; I616-L618 VanDerWaalsContact C-N 3.32Å; I616-L618 PolarHBondContact O-N 3.41Å; I616-L619 PolarHBondContact O-N 3.32Å; I616-Q620 HydrophobicContact CG2-CG 4.34Å; I616-Q620 WeakPolarHBondContact O-CB 3.49Å; I616-Q620 WeakPolarHBondContact O-CG 3.33Å; I616-Q620 PolarHBondContact O-N 3.14Å; I616-T651 HydrophobicContact CD1-CG2 3.82Å; I616-L655 HydrophobicContact CD1-CB 4.16Å; I616-L655 HydrophobicContact CG1-CB 3.82Å; I616-L655 HydrophobicContact CG1-CD1 4.06Å; I616-L655 HydrophobicContact CG1-CG 4.14Å
617	K	97.8	Very high	96.6	Very high	135 Å²	135	52.2 Å²	52.2	59%	0.587	29%	0.289	S	S	*	.	H	α-helix	trans	-59.1	-43.3	175	-74.6	170.1	-173.8	170.3	0	111.8	N613 S614 I615 Q620 Y621	N613-K617 WeakPolarHBondContact O-CB 3.41Å; N613-K617 VanDerWaalsContact O-CG 3.26Å; N613-K617 WeakPolarHBondContact O-CG 3.38Å; N613-K617 PolarHBondContact O-N 2.92Å; S614-K617 PolarHBondContact O-N 3.43Å; I615-K617 VanDerWaalsContact C-N 3.34Å; I615-K617 PolarHBondContact O-N 3.29Å; K617-Q620 PolarHBondContact O-N 3.21Å; K617-Y621 VanDerWaalsContact O-CB 3.29Å; K617-Y621 WeakPolarHBondContact O-CB 3.5Å; K617-Y621 PolarHBondContact O-N 2.79Å
618	L	97.8	Very high	96.4	Very high	19 Å²	19	52.5 Å²	52.5	10%	0.099	30%	0.295	C	S	.	.	H	α-helix	trans	-58.9	-50	175.6	176.6	63.9	0	0	0	111.3	W592 S614 I615 I616 Q620 Y621 N622 H623 A625 L626	W592-L618 HydrophobicContact CD2-CD2 3.7Å; W592-L618 HydrophobicContact CE3-CD2 4.31Å; W592-L618 HydrophobicContact CG-CD2 3.92Å; W592-L618 HydrophobicContact CZ2-CD2 4.05Å; S614-L618 PolarHBondContact O-N 2.97Å; I615-L618 WeakPolarHBondContact O-CB 3.31Å; I615-L618 PolarHBondContact O-N 3.4Å; I615-L618 VanDerWaalsContact O-N 3.16Å; I616-L618 VanDerWaalsContact C-N 3.32Å; I616-L618 PolarHBondContact O-N 3.41Å; L618-Q620 PolarHBondContact O-N 2.75Å; L618-Y621 PolarHBondContact O-N 3.18Å; L618-N622 CarbonylContact O-C 3.55Å; L618-N622 WeakPolarHBondContact O-CA 3.43Å; L618-N622 PolarHBondContact O-N 3.16Å; L618-H623 PolarHBondContact O-N 3.47Å; L618-A625 HydrophobicContact CD1-CB 3.88Å; L618-L626 HydrophobicContact CD2-CD1 3.95Å; L618-L626 HydrophobicContact CD2-CD2 4.27Å; L618-L626 HydrophobicContact CD2-CG 3.94Å
619	L	98.3	Very high	96.5	Very high	1 Å²	1	53 Å²	53	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-64.5	-40.5	-178.5	-66.4	172.1	0	0	0	112	I615 I616 H623 L626 R631 L634 L655 Y658	I615-L619 HydrophobicContact CG2-CD1 3.93Å; I615-L619 HydrophobicContact CG2-CG 4.37Å; I615-L619 WeakPolarHBondContact O-CG 3.29Å; I615-L619 PolarHBondContact O-N 3.35Å; I616-L619 PolarHBondContact O-N 3.32Å; L619-H623 HydrophobicContact CD2-CB 4.11Å; L619-H623 WeakPolarHBondContact O-CB 3.48Å; L619-H623 PolarHBondContact O-N 3.35Å; L619-L626 HydrophobicContact CD2-CD1 4.25Å; L619-R631 HydrophobicContact CD2-CG 3.82Å; L619-L634 HydrophobicContact CD1-CD1 4.33Å; L619-L655 HydrophobicContact CD1-CD1 4.02Å; L619-L655 HydrophobicContact CD1-CD2 4.17Å; L619-L655 HydrophobicContact CD1-CG 3.91Å; L619-Y658 HydrophobicContact CB-CD1 3.71Å; L619-Y658 HydrophobicContact CB-CD2 4.32Å; L619-Y658 HydrophobicContact CB-CE1 4.34Å; L619-Y658 HydrophobicContact CB-CG 3.75Å; L619-Y658 HydrophobicContact CD1-CD1 3.77Å; L619-Y658 HydrophobicContact CD1-CE1 3.71Å; L619-Y658 HydrophobicContact CD2-CE1 4.39Å; L619-Y658 HydrophobicContact CD2-CE2 4.49Å; L619-Y658 HydrophobicContact CG-CD1 4.21Å; L619-Y658 HydrophobicContact CG-CE1 4.37Å
620	Q	96.7	Very high	96.7	Very high	78 Å²	78	49.8 Å²	49.8	36%	0.364	26%	0.26	S	S	.	.	H	α-helix	trans	-67.5	-37.3	178.5	-71.6	178.2	-1.5	0	0	113	I616 K617 L618 K661	I616-Q620 HydrophobicContact CG2-CG 4.34Å; I616-Q620 WeakPolarHBondContact O-CB 3.49Å; I616-Q620 WeakPolarHBondContact O-CG 3.33Å; I616-Q620 PolarHBondContact O-N 3.14Å; K617-Q620 PolarHBondContact O-N 3.21Å; L618-Q620 PolarHBondContact O-N 2.75Å; Q620-K661 PolarHBondContact O-NZ 3.49Å
621	Y	96	Very high	97	Very high	211 Å²	211	44.3 Å²	44.3	83%	0.827	23%	0.234	S	C	*	.	H	α-helix	trans	-85.9	-48.4	-177.8	-178.2	-102.5	0	0	0	112.9	K617 L618	K617-Y621 VanDerWaalsContact O-CB 3.29Å; K617-Y621 WeakPolarHBondContact O-CB 3.5Å; K617-Y621 PolarHBondContact O-N 2.79Å; L618-Y621 PolarHBondContact O-N 3.18Å
622	N	96.8	Very high	97.2	Very high	67 Å²	67	43.3 Å²	43.3	36%	0.358	22%	0.224	S	C	.	.	H	α-helix	trans	-151.2	70.6	-175.1	-173.2	16.4	0	0	0	112.5	L618 T624 A625	L618-N622 CarbonylContact O-C 3.55Å; L618-N622 WeakPolarHBondContact O-CA 3.43Å; L618-N622 PolarHBondContact O-N 3.16Å; N622-T624 PolarHBondContact O-N 3.19Å; N622-T624 VanDerWaalsContact O-N 3.13Å; N622-T624 PolarHBondContact OD1-OG1 3.44Å; N622-A625 WeakPolarHBondContact O-CB 3.32Å; N622-A625 PolarHBondContact O-N 3.34Å; N622-A625 VanDerWaalsContact O-N 3.16Å
623	H	97.7	Very high	97.2	Very high	29 Å²	29	42.9 Å²	42.9	13%	0.134	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-57	-26.8	177.4	71.4	113	0	0	0	114	L618 L619 A625 L626 R631 Y658 E662	L618-H623 PolarHBondContact O-N 3.47Å; L619-H623 HydrophobicContact CD2-CB 4.11Å; L619-H623 WeakPolarHBondContact O-CB 3.48Å; L619-H623 PolarHBondContact O-N 3.35Å; H623-A625 PolarHBondContact O-N 3.21Å; H623-L626 PolarHBondContact O-N 3.4Å; H623-R631 WeakPolarHBondContact O-CD 3.08Å; H623-R631 PolarHBondContact O-NH1 3.21Å; H623-Y658 HydrophobicContact CB-CD2 3.94Å; H623-Y658 HydrophobicContact CB-CE2 4.19Å; H623-E662 IonicContact CE1-OE2 2.83Å; H623-E662 IonicContact ND1-OE2 3.72Å; H623-E662 PolarHBondContact ND1-OE2 2.9Å
624	T	97.1	Very high	97.2	Very high	96 Å²	96	39.6 Å²	39.6	59%	0.589	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-72.4	-6.4	-179.2	65.3	0	0	0	0	114.4	N622 L626	N622-T624 PolarHBondContact O-N 3.19Å; N622-T624 VanDerWaalsContact O-N 3.13Å; N622-T624 PolarHBondContact OD1-OG1 3.44Å; T624-L626 PolarHBondContact O-N 3.13Å
625	A	96.5	Very high	97.3	Very high	36 Å²	36	37.9 Å²	37.9	30%	0.298	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-64.7	-20.4	168.9	0	0	0	0	0	113.2	L618 N622 H623	L618-A625 HydrophobicContact CD1-CB 3.88Å; N622-A625 WeakPolarHBondContact O-CB 3.32Å; N622-A625 PolarHBondContact O-N 3.34Å; N622-A625 VanDerWaalsContact O-N 3.16Å; H623-A625 PolarHBondContact O-N 3.21Å
626	L	97.3	Very high	97.3	Very high	5 Å²	5	38.4 Å²	38.4	3%	0.026	20%	0.195	C	C	.	.	S	Bend	trans	-111.8	154.2	175	-60.6	-176.8	0	0	0	109.7	M565 W592 K594 L618 L619 H623 T624 D630 R631 L634	M565-L626 HydrophobicContact CE-CD2 3.92Å; W592-L626 HydrophobicContact CH2-CD2 4.1Å; W592-L626 HydrophobicContact CZ3-CD2 4.05Å; K594-L626 HydrophobicContact CB-CD2 4.21Å; K594-L626 HydrophobicContact CG-CD2 4.21Å; L618-L626 HydrophobicContact CD2-CD1 3.95Å; L618-L626 HydrophobicContact CD2-CD2 4.27Å; L618-L626 HydrophobicContact CD2-CG 3.94Å; L619-L626 HydrophobicContact CD2-CD1 4.25Å; H623-L626 PolarHBondContact O-N 3.4Å; T624-L626 PolarHBondContact O-N 3.13Å; L626-D630 HydrophobicContact CB-CB 3.9Å; L626-R631 HydrophobicContact CB-CG 4.02Å; L626-R631 PolarHBondContact O-NH1 3.06Å; L626-L634 HydrophobicContact CD1-CD1 3.48Å; L626-L634 VanDerWaalsContact CD1-CD1 3.48Å
627	S	95.8	Very high	97.3	Very high	38 Å²	38	37.8 Å²	37.8	27%	0.266	19%	0.192	S	C	.	.			trans	-69.7	166.3	175.4	78.6	0	0	0	0	112	N598 N629 D630 R631	N598-S627 VanDerWaalsContact OD1-CB 3.27Å; N598-S627 WeakPolarHBondContact OD1-CB 3.43Å; N598-S627 PolarHBondContact OD1-OG 2.99Å; S627-N629 PolarHBondContact O-N 3.45Å; S627-N629 PolarHBondContact OG-N 3.34Å; S627-D630 PolarHBondContact N-OD2 3.11Å; S627-D630 PolarHBondContact O-N 2.95Å; S627-D630 PolarHBondContact OG-N 3.41Å; S627-D630 PolarHBondContact OG-OD2 3.41Å; S627-R631 VanDerWaalsContact O-CG 3.31Å; S627-R631 WeakPolarHBondContact O-CG 3.4Å; S627-R631 PolarHBondContact O-N 2.94Å; S627-R631 PolarHBondContact O-NH1 3Å
628	G	95.4	Very high	97.3	Very high	15 Å²	15	31.3 Å²	31.3	16%	0.155	16%	0.164	C	C	.	.	H	α-helix	trans	-56.9	-38.3	172.8	0	0	0	0	0	112.6	R631 A632	G628-R631 PolarHBondContact O-N 3.43Å; G628-A632 PolarHBondContact O-N 3.04Å
629	N	95.5	Very high	97.3	Very high	36 Å²	36	30.8 Å²	30.8	19%	0.193	16%	0.16	C	C	.	.	H	α-helix	trans	-72.9	-39.3	179.6	-69.1	5	0	0	0	112.1	L391 N598 S627 R631 A632 S633	L391-N629 HydrophobicContact CD2-CB 3.94Å; N598-N629 HydrophobicContact CB-CB 4.37Å; S627-N629 PolarHBondContact O-N 3.45Å; S627-N629 PolarHBondContact OG-N 3.34Å; N629-R631 VanDerWaalsContact C-N 3.27Å; N629-R631 PolarHBondContact O-N 3.3Å; N629-A632 PolarHBondContact O-N 3.21Å; N629-S633 WeakPolarHBondContact O-CB 3.49Å; N629-S633 PolarHBondContact O-N 3.01Å
630	D	97.8	Very high	97.2	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.016	17%	0.165	C	C	.	.	H	α-helix	trans	-60.6	-39.6	172.5	-78.5	-44.8	0	0	0	111.7	K594 V597 N598 L626 S627 S633 L634	K594-D630 WeakPolarHBondContact CE-OD1 3.27Å; K594-D630 IonicContact NZ-OD1 3.1Å; K594-D630 PolarHBondContact NZ-OD1 3.18Å; V597-D630 WeakPolarHBondContact CA-OD1 3.31Å; N598-D630 PolarHBondContact N-OD1 3.03Å; L626-D630 HydrophobicContact CB-CB 3.9Å; S627-D630 PolarHBondContact N-OD2 3.11Å; S627-D630 PolarHBondContact O-N 2.95Å; S627-D630 PolarHBondContact OG-N 3.41Å; S627-D630 PolarHBondContact OG-OD2 3.41Å; D630-S633 PolarHBondContact O-N 2.85Å; D630-S633 PolarHBondContact O-OG 2.92Å; D630-S633 VanDerWaalsContact O-OG 3.12Å; D630-L634 VanDerWaalsContact O-CG 3.24Å; D630-L634 WeakPolarHBondContact O-CG 3.42Å; D630-L634 PolarHBondContact O-N 3.35Å
631	R	98.4	Very high	97.2	Very high	10 Å²	10	28 Å²	28	4%	0.038	15%	0.147	C	C	.	.	H	α-helix	trans	-69.2	-42.1	177.7	-71	-163.9	-52.8	-87.8	7.7	112.4	L619 H623 L626 S627 G628 N629 L634 I635 Y658 E662 Q664 A667	L619-R631 HydrophobicContact CD2-CG 3.82Å; H623-R631 WeakPolarHBondContact O-CD 3.08Å; H623-R631 PolarHBondContact O-NH1 3.21Å; L626-R631 HydrophobicContact CB-CG 4.02Å; L626-R631 PolarHBondContact O-NH1 3.06Å; S627-R631 VanDerWaalsContact O-CG 3.31Å; S627-R631 WeakPolarHBondContact O-CG 3.4Å; S627-R631 PolarHBondContact O-N 2.94Å; S627-R631 PolarHBondContact O-NH1 3Å; G628-R631 PolarHBondContact O-N 3.43Å; N629-R631 VanDerWaalsContact C-N 3.27Å; N629-R631 PolarHBondContact O-N 3.3Å; R631-L634 PolarHBondContact O-N 2.97Å; R631-I635 WeakPolarHBondContact O-CG1 3.39Å; R631-I635 PolarHBondContact O-N 3Å; R631-I635 VanDerWaalsContact O-N 3.11Å; R631-Y658 WeakPolarHBondContact CB-OH 3.2Å; R631-E662 IonicContact CZ-OE1 2.81Å; R631-E662 IonicContact CZ-OE2 2.63Å; R631-E662 IonicContact NE-OE1 3.9Å; R631-E662 IonicContact NE-OE2 2.6Å; R631-E662 PolarHBondContact NE-OE2 3.44Å; R631-E662 VanDerWaalsContact NH2-CD 3.25Å; R631-E662 IonicContact NH2-OE1 2.91Å; R631-E662 PolarHBondContact NH2-OE1 3.29Å; R631-E662 IonicContact NH2-OE2 2.61Å; R631-E662 PolarHBondContact NH2-OE2 3.44Å; R631-Q664 VanDerWaalsContact NH2-CG 3.29Å; R631-A667 HydrophobicContact CB-CB 4.06Å
632	A	97.7	Very high	97.2	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60.1	-45.1	171.8	0	0	0	0	0	111.2	L391 F395 G628 N629 L634 I635 Q636 M666 Q670	L391-A632 HydrophobicContact CD2-CB 3.81Å; F395-A632 HydrophobicContact CE2-CB 4.42Å; G628-A632 PolarHBondContact O-N 3.04Å; N629-A632 PolarHBondContact O-N 3.21Å; A632-L634 VanDerWaalsContact C-N 3.31Å; A632-L634 PolarHBondContact O-N 2.97Å; A632-I635 PolarHBondContact O-N 3.06Å; A632-I635 VanDerWaalsContact O-N 3.17Å; A632-Q636 PolarHBondContact O-N 3.24Å; A632-M666 HydrophobicContact CB-CB 4.41Å; A632-M666 HydrophobicContact CB-CG 4.36Å; A632-M666 HydrophobicContact CB-SD 4.2Å; A632-Q670 HydrophobicContact CB-CB 3.97Å; A632-Q670 HydrophobicContact CB-CG 4.22Å; A632-Q670 WeakPolarHBondContact O-CG 3.38Å
633	S	97.6	Very high	96.9	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-61.5	-38.5	178.4	97	0	0	0	0	112.6	K594 N629 D630 N637	K594-S633 WeakPolarHBondContact CE-OG 3.44Å; K594-S633 PolarHBondContact NZ-OG 3.31Å; N629-S633 WeakPolarHBondContact O-CB 3.49Å; N629-S633 PolarHBondContact O-N 3.01Å; D630-S633 PolarHBondContact O-N 2.85Å; D630-S633 PolarHBondContact O-OG 2.92Å; D630-S633 VanDerWaalsContact O-OG 3.12Å; S633-N637 VanDerWaalsContact O-CB 3.28Å; S633-N637 WeakPolarHBondContact O-CB 3.14Å; S633-N637 PolarHBondContact O-N 3.39Å; S633-N637 PolarHBondContact O-ND2 3.19Å; S633-N637 PolarHBondContact O-OD1 2.62Å
634	L	98.6	Very high	96.6	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-66.5	-40	176	-72.3	169.5	0	0	0	112.3	K594 Y607 W612 I615 L619 L626 D630 R631 A632 V638	K594-L634 HydrophobicContact CD-CD1 4.35Å; K594-L634 HydrophobicContact CD-CD2 4.03Å; K594-L634 HydrophobicContact CD-CG 4.25Å; Y607-L634 HydrophobicContact CE2-CD2 3.8Å; W612-L634 HydrophobicContact CH2-CD2 4.14Å; W612-L634 HydrophobicContact CZ3-CD2 3.92Å; I615-L634 HydrophobicContact CG2-CD1 3.67Å; I615-L634 HydrophobicContact CG2-CD2 4.03Å; I615-L634 HydrophobicContact CG2-CG 4.36Å; L619-L634 HydrophobicContact CD1-CD1 4.33Å; L626-L634 HydrophobicContact CD1-CD1 3.48Å; L626-L634 VanDerWaalsContact CD1-CD1 3.48Å; D630-L634 VanDerWaalsContact O-CG 3.24Å; D630-L634 WeakPolarHBondContact O-CG 3.42Å; D630-L634 PolarHBondContact O-N 3.35Å; R631-L634 PolarHBondContact O-N 2.97Å; A632-L634 VanDerWaalsContact C-N 3.31Å; A632-L634 PolarHBondContact O-N 2.97Å; L634-V638 WeakPolarHBondContact O-CB 3.39Å; L634-V638 WeakPolarHBondContact O-CG1 3.44Å; L634-V638 PolarHBondContact O-N 2.79Å
635	I	98.6	Very high	96.4	Very high	1 Å²	1	15 Å²	15	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-61.9	-54.8	174.3	-66.5	162	0	0	0	109.6	R631 A632 N637 V638 F639 L655 Y658 L659 A667 Q670 E674	R631-I635 WeakPolarHBondContact O-CG1 3.39Å; R631-I635 PolarHBondContact O-N 3Å; R631-I635 VanDerWaalsContact O-N 3.11Å; A632-I635 PolarHBondContact O-N 3.06Å; A632-I635 VanDerWaalsContact O-N 3.17Å; I635-N637 VanDerWaalsContact C-N 3.34Å; I635-N637 PolarHBondContact O-N 3.05Å; I635-V638 WeakPolarHBondContact O-CG1 3.49Å; I635-V638 PolarHBondContact O-N 2.81Å; I635-F639 HydrophobicContact CG2-CD2 4.06Å; I635-F639 HydrophobicContact CG2-CE2 4.22Å; I635-F639 WeakPolarHBondContact O-CD2 3.16Å; I635-F639 PolarHBondContact O-N 3.33Å; I635-L655 HydrophobicContact CG1-CD2 3.89Å; I635-Y658 HydrophobicContact CD1-CE1 4.29Å; I635-Y658 WeakPolarHBondContact CD1-OH 3.33Å; I635-Y658 HydrophobicContact CG1-CE1 4.28Å; I635-L659 HydrophobicContact CD1-CD2 3.84Å; I635-L659 HydrophobicContact CD1-CG 4.5Å; I635-A667 WeakPolarHBondContact CD1-O 3.28Å; I635-Q670 HydrophobicContact CB-CG 3.97Å; I635-Q670 HydrophobicContact CG2-CG 3.87Å; I635-E674 HydrophobicContact CG2-CB 4.35Å; I635-E674 HydrophobicContact CG2-CG 3.77Å
636	Q	97.4	Very high	96.2	Very high	12 Å²	12	17.8 Å²	17.8	6%	0.056	11%	0.113	C	C	.	.	H	α-helix	trans	-52.4	-54.1	177.2	177.5	79.9	21	0	0	110.5	F395 A632 V638 F639 Q640 Q670 E674	F395-Q636 HydrophobicContact CD1-CB 4.26Å; F395-Q636 HydrophobicContact CD1-CG 3.66Å; F395-Q636 HydrophobicContact CE1-CB 3.85Å; F395-Q636 HydrophobicContact CE1-CG 3.67Å; F395-Q636 HydrophobicContact CE2-CB 4.13Å; F395-Q636 HydrophobicContact CG-CG 4.1Å; F395-Q636 HydrophobicContact CZ-CB 3.77Å; F395-Q636 HydrophobicContact CZ-CG 4.11Å; A632-Q636 PolarHBondContact O-N 3.24Å; Q636-V638 PolarHBondContact O-N 3.46Å; Q636-F639 PolarHBondContact O-N 2.87Å; Q636-Q640 HydrophobicContact CG-CG 4.16Å; Q636-Q640 WeakPolarHBondContact O-CB 3.16Å; Q636-Q640 WeakPolarHBondContact O-CG 3.39Å; Q636-Q640 PolarHBondContact O-N 3.46Å; Q636-Q670 HydrophobicContact CB-CG 4.45Å; Q636-E674 WeakPolarHBondContact CA-OE1 3.31Å; Q636-E674 PolarHBondContact OE1-OE1 2.89Å
637	N	98.3	Very high	96.1	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-60.4	-43.8	-174.6	-68.3	173.4	0	0	0	112.5	M604 V605 W612 S633 I635 F639 L641	M604-N637 WeakPolarHBondContact CG-ND2 3.41Å; V605-N637 PolarHBondContact N-OD1 2.98Å; W612-N637 HydrophobicContact CH2-CB 4.17Å; W612-N637 HydrophobicContact CZ2-CB 4.48Å; S633-N637 VanDerWaalsContact O-CB 3.28Å; S633-N637 WeakPolarHBondContact O-CB 3.14Å; S633-N637 PolarHBondContact O-N 3.39Å; S633-N637 PolarHBondContact O-ND2 3.19Å; S633-N637 PolarHBondContact O-OD1 2.62Å; I635-N637 VanDerWaalsContact C-N 3.34Å; I635-N637 PolarHBondContact O-N 3.05Å; N637-F639 PolarHBondContact O-N 3.07Å; N637-L641 WeakPolarHBondContact O-CB 3.29Å; N637-L641 WeakPolarHBondContact O-CD1 3.37Å; N637-L641 WeakPolarHBondContact O-CG 3.33Å; N637-L641 PolarHBondContact O-N 3.01Å
638	V	98.3	Very high	96.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-66.7	-39.8	-176.5	77.7	0	0	0	0	111.9	W612 L634 I635 Q636 L641 V642 V647 A652 L655	W612-V638 HydrophobicContact CD2-CG2 4.22Å; W612-V638 HydrophobicContact CE3-CB 4.37Å; W612-V638 HydrophobicContact CE3-CG2 4.15Å; W612-V638 HydrophobicContact CH2-CB 3.72Å; W612-V638 HydrophobicContact CH2-CG2 4.22Å; W612-V638 HydrophobicContact CZ2-CB 4.11Å; W612-V638 HydrophobicContact CZ2-CG2 4.28Å; W612-V638 HydrophobicContact CZ3-CB 3.85Å; W612-V638 HydrophobicContact CZ3-CG2 4.14Å; L634-V638 WeakPolarHBondContact O-CB 3.39Å; L634-V638 WeakPolarHBondContact O-CG1 3.44Å; L634-V638 PolarHBondContact O-N 2.79Å; I635-V638 WeakPolarHBondContact O-CG1 3.49Å; I635-V638 PolarHBondContact O-N 2.81Å; Q636-V638 PolarHBondContact O-N 3.46Å; V638-L641 PolarHBondContact O-N 3.09Å; V638-V642 WeakPolarHBondContact O-CG2 3.19Å; V638-V642 PolarHBondContact O-N 3.49Å; V638-V647 HydrophobicContact CG2-CG1 3.89Å; V638-A652 HydrophobicContact CB-CB 4.46Å; V638-A652 HydrophobicContact CG1-CB 3.89Å; V638-A652 HydrophobicContact CG2-CB 3.94Å; V638-L655 HydrophobicContact CB-CD1 4.38Å; V638-L655 HydrophobicContact CG1-CB 4.5Å; V638-L655 HydrophobicContact CG1-CD1 4.1Å; V638-L655 HydrophobicContact CG1-CD2 4.29Å
639	F	97.8	Very high	96.2	Very high	7 Å²	7	22.8 Å²	22.8	3%	0.031	12%	0.123	C	C	.	.	H	α-helix	trans	-73.1	-40.5	179.3	-82.3	-87	0	0	0	112.3	I635 Q636 N637 L641 V642 S643 A652 L653 E674 L675	I635-F639 HydrophobicContact CG2-CD2 4.06Å; I635-F639 HydrophobicContact CG2-CE2 4.22Å; I635-F639 WeakPolarHBondContact O-CD2 3.16Å; I635-F639 PolarHBondContact O-N 3.33Å; Q636-F639 PolarHBondContact O-N 2.87Å; N637-F639 PolarHBondContact O-N 3.07Å; F639-L641 VanDerWaalsContact C-N 3.27Å; F639-L641 PolarHBondContact O-N 3.44Å; F639-V642 WeakPolarHBondContact O-CB 3.38Å; F639-V642 PolarHBondContact O-N 3.17Å; F639-S643 PolarHBondContact O-N 2.94Å; F639-S643 PolarHBondContact O-OG 3.07Å; F639-A652 HydrophobicContact CD1-CB 4.13Å; F639-A652 HydrophobicContact CD2-CB 4.25Å; F639-A652 HydrophobicContact CE1-CB 4.06Å; F639-A652 HydrophobicContact CE2-CB 4.18Å; F639-A652 HydrophobicContact CG-CB 4.23Å; F639-A652 HydrophobicContact CZ-CB 4.08Å; F639-L653 HydrophobicContact CE1-CD2 4.47Å; F639-L653 HydrophobicContact CZ-CD2 4.47Å; F639-E674 HydrophobicContact CB-CB 4.07Å; F639-E674 VanDerWaalsContact CB-CD 3.49Å; F639-E674 HydrophobicContact CB-CG 3.79Å; F639-E674 WeakPolarHBondContact CB-OE2 3.32Å; F639-E674 HydrophobicContact CD1-CB 3.94Å; F639-E674 HydrophobicContact CD2-CB 3.57Å; F639-E674 HydrophobicContact CD2-CG 3.68Å; F639-E674 HydrophobicContact CE1-CB 4.27Å; F639-E674 HydrophobicContact CE2-CB 3.93Å; F639-E674 HydrophobicContact CE2-CG 4.42Å; F639-E674 HydrophobicContact CG-CB 3.59Å; F639-E674 HydrophobicContact CG-CG 3.78Å; F639-E674 HydrophobicContact CZ-CB 4.26Å; F639-L675 HydrophobicContact CE1-CD2 4.21Å; F639-L675 HydrophobicContact CZ-CD2 3.76Å
640	Q	96.2	Very high	96.2	Very high	20 Å²	20	23.2 Å²	23.2	9%	0.093	13%	0.125	C	C	.	.	H	α-helix	trans	-62.9	-34.6	174.1	-65	-53.2	-44.8	0	0	112	F544 M604 Q636 V642 S643	F544-Q640 HydrophobicContact CE1-CB 4.49Å; F544-Q640 HydrophobicContact CE2-CB 4.49Å; F544-Q640 HydrophobicContact CZ-CB 3.84Å; M604-Q640 HydrophobicContact CE-CB 3.48Å; M604-Q640 VanDerWaalsContact CE-CB 3.48Å; M604-Q640 HydrophobicContact CE-CG 4.4Å; M604-Q640 HydrophobicContact SD-CB 3.95Å; M604-Q640 HydrophobicContact SD-CG 4.3Å; Q636-Q640 HydrophobicContact CG-CG 4.16Å; Q636-Q640 WeakPolarHBondContact O-CB 3.16Å; Q636-Q640 WeakPolarHBondContact O-CG 3.39Å; Q636-Q640 PolarHBondContact O-N 3.46Å; Q640-V642 VanDerWaalsContact C-N 3.3Å; Q640-V642 PolarHBondContact O-N 3.11Å; Q640-S643 WeakPolarHBondContact O-CB 3.38Å; Q640-S643 PolarHBondContact O-N 3.46Å
641	L	96.9	Very high	96.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-69.2	-24.3	174.1	-72.6	167	0	0	0	113.8	L527 M604 H606 W612 N637 V638 F639 S643 G645 K646 V647	L527-L641 HydrophobicContact CD1-CD2 3.89Å; L527-L641 HydrophobicContact CD2-CD2 3.7Å; L527-L641 HydrophobicContact CG-CD2 4.47Å; M604-L641 HydrophobicContact CE-CG 4.28Å; H606-L641 HydrophobicContact CB-CD1 3.81Å; H606-L641 HydrophobicContact CB-CD2 3.96Å; W612-L641 HydrophobicContact CZ2-CD1 3.66Å; N637-L641 WeakPolarHBondContact O-CB 3.29Å; N637-L641 WeakPolarHBondContact O-CD1 3.37Å; N637-L641 WeakPolarHBondContact O-CG 3.33Å; N637-L641 PolarHBondContact O-N 3.01Å; V638-L641 PolarHBondContact O-N 3.09Å; F639-L641 VanDerWaalsContact C-N 3.27Å; F639-L641 PolarHBondContact O-N 3.44Å; L641-S643 VanDerWaalsContact C-N 3.35Å; L641-G645 PolarHBondContact O-N 3.07Å; L641-K646 HydrophobicContact CB-CB 4.27Å; L641-K646 HydrophobicContact CD2-CB 3.78Å; L641-K646 HydrophobicContact CD2-CG 4.13Å; L641-K646 PolarHBondContact O-N 3.15Å; L641-V647 HydrophobicContact CB-CB 3.94Å; L641-V647 HydrophobicContact CB-CG2 3.68Å; L641-V647 HydrophobicContact CD1-CG2 3.95Å; L641-V647 HydrophobicContact CG-CG2 4.42Å; L641-V647 PolarHBondContact O-N 3.37Å
642	V	96.2	Very high	96.1	Very high	5 Å²	5	24 Å²	24	3%	0.03	13%	0.131	C	C	.	.	H	α-helix	trans	-67.2	-39.7	171	172.6	0	0	0	0	110.5	V638 F639 Q640 V644 G645 V647 L649 A652	V638-V642 WeakPolarHBondContact O-CG2 3.19Å; V638-V642 PolarHBondContact O-N 3.49Å; F639-V642 WeakPolarHBondContact O-CB 3.38Å; F639-V642 PolarHBondContact O-N 3.17Å; Q640-V642 VanDerWaalsContact C-N 3.3Å; Q640-V642 PolarHBondContact O-N 3.11Å; V642-V644 PolarHBondContact O-N 2.82Å; V642-G645 PolarHBondContact O-N 3.23Å; V642-V647 WeakPolarHBondContact CA-O 3.39Å; V642-V647 HydrophobicContact CG2-CB 4.38Å; V642-V647 HydrophobicContact CG2-CG1 4.29Å; V642-L649 HydrophobicContact CG1-CB 4.05Å; V642-L649 HydrophobicContact CG1-CD1 4.02Å; V642-A652 HydrophobicContact CG2-CB 3.76Å
643	S	90.6	Very high	96.1	Very high	18 Å²	18	24 Å²	24	13%	0.126	13%	0.132	C	C	.	.	H	α-helix	trans	-60.6	-28.1	-179.3	-53.7	0	0	0	0	113.5	F639 Q640 L641	F639-S643 PolarHBondContact O-N 2.94Å; F639-S643 PolarHBondContact O-OG 3.07Å; Q640-S643 WeakPolarHBondContact O-CB 3.38Å; Q640-S643 PolarHBondContact O-N 3.46Å; L641-S643 VanDerWaalsContact C-N 3.35Å
644	V	91.5	Very high	96.1	Very high	41 Å²	41	26.8 Å²	26.8	25%	0.248	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	12.3	177.7	-61.9	0	0	0	0	113.4	F544 L545 V642 K646	F544-V644 HydrophobicContact CE2-CG1 4.11Å; F544-V644 HydrophobicContact CE2-CG2 3.84Å; F544-V644 HydrophobicContact CZ-CG1 4.16Å; F544-V644 HydrophobicContact CZ-CG2 4.5Å; L545-V644 VanDerWaalsContact O-CG1 3.27Å; L545-V644 WeakPolarHBondContact O-CG1 3.45Å; V642-V644 PolarHBondContact O-N 2.82Å; V644-K646 HydrophobicContact CG2-CB 4.24Å; V644-K646 HydrophobicContact CG2-CG 3.72Å; V644-K646 PolarHBondContact O-N 2.8Å; V644-K646 VanDerWaalsContact O-N 3.13Å
645	G	91.8	Very high	96.1	Very high	66 Å²	66	26.9 Å²	26.9	68%	0.68	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.4	11.4	175.8	0	0	0	0	0	115.9	L641 V642 V647	L641-G645 PolarHBondContact O-N 3.07Å; V642-G645 PolarHBondContact O-N 3.23Å; G645-V647 VanDerWaalsContact C-N 3.35Å
646	K	92.8	Very high	96	Very high	95 Å²	95	26.9 Å²	26.9	41%	0.413	15%	0.147	S	C	.	.	S	Bend	trans	-74.9	-28.1	176.1	-67.6	-81.4	-172.5	172.4	0	111.9	E542 L641 V644	E542-K646 VanDerWaalsContact OE1-CE 3.25Å; E542-K646 WeakPolarHBondContact OE1-CE 3.4Å; E542-K646 IonicContact OE1-NZ 2.69Å; E542-K646 PolarHBondContact OE1-NZ 3.46Å; E542-K646 IonicContact OE2-NZ 3.28Å; L641-K646 HydrophobicContact CB-CB 4.27Å; L641-K646 HydrophobicContact CD2-CB 3.78Å; L641-K646 HydrophobicContact CD2-CG 4.13Å; L641-K646 PolarHBondContact O-N 3.15Å; V644-K646 HydrophobicContact CG2-CB 4.24Å; V644-K646 HydrophobicContact CG2-CG 3.72Å; V644-K646 PolarHBondContact O-N 2.8Å; V644-K646 VanDerWaalsContact O-N 3.13Å
647	V	95.8	Very high	96	Very high	13 Å²	13	28.9 Å²	28.9	8%	0.079	16%	0.158	C	C	.	.	S	Bend	trans	-128.5	143.7	176.6	175.1	0	0	0	0	108.6	V638 L641 V642 G645 T651	V638-V647 HydrophobicContact CG2-CG1 3.89Å; L641-V647 HydrophobicContact CB-CB 3.94Å; L641-V647 HydrophobicContact CB-CG2 3.68Å; L641-V647 HydrophobicContact CD1-CG2 3.95Å; L641-V647 HydrophobicContact CG-CG2 4.42Å; L641-V647 PolarHBondContact O-N 3.37Å; V642-V647 WeakPolarHBondContact CA-O 3.39Å; V642-V647 HydrophobicContact CG2-CB 4.38Å; V642-V647 HydrophobicContact CG2-CG1 4.29Å; G645-V647 VanDerWaalsContact C-N 3.35Å; V647-T651 HydrophobicContact CG1-CG2 3.85Å
648	R	95.2	Very high	96	Very high	149 Å²	149	29 Å²	29	56%	0.562	16%	0.158	S	C	*	.			trans	-79.2	146.6	175.2	-70.7	173.3	55.7	91.4	4.6	110.4	D650 T651	R648-D650 WeakPolarHBondContact CB-OD1 3.31Å; R648-D650 IonicContact CZ-OD2 3.88Å; R648-D650 IonicContact NE-OD1 2.75Å; R648-D650 PolarHBondContact NE-OD1 2.78Å; R648-D650 IonicContact NE-OD2 2.68Å; R648-D650 PolarHBondContact NE-OD2 2.88Å; R648-D650 IonicContact NH2-OD2 2.76Å; R648-D650 PolarHBondContact NH2-OD2 3.28Å; R648-D650 PolarHBondContact O-N 2.91Å; R648-T651 WeakPolarHBondContact O-CB 3.23Å; R648-T651 PolarHBondContact O-N 3.08Å
649	L	96.6	Very high	96	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-55.2	-37.1	-179.6	-178.9	68.5	0	0	0	113.3	V642 T651 A652 L653 W917 N921 L924 L925	V642-L649 HydrophobicContact CG1-CB 4.05Å; V642-L649 HydrophobicContact CG1-CD1 4.02Å; L649-T651 VanDerWaalsContact C-N 3.26Å; L649-T651 PolarHBondContact O-N 3.41Å; L649-A652 PolarHBondContact O-N 3.29Å; L649-A652 VanDerWaalsContact O-N 3.16Å; L649-L653 HydrophobicContact CD1-CD1 4.32Å; L649-L653 HydrophobicContact CD1-CG 4.19Å; L649-L653 HydrophobicContact CD2-CD1 4.04Å; L649-L653 HydrophobicContact CG-CD1 3.77Å; L649-L653 HydrophobicContact CG-CG 4.08Å; L649-L653 WeakPolarHBondContact O-CG 3.26Å; L649-L653 PolarHBondContact O-N 3Å; L649-W917 HydrophobicContact CD1-CZ2 4.1Å; L649-N921 HydrophobicContact CD2-CB 4.1Å; L649-N921 WeakPolarHBondContact CD2-O 3.27Å; L649-L924 HydrophobicContact CD2-CB 4.13Å; L649-L925 HydrophobicContact CD2-CB 3.75Å; L649-L925 HydrophobicContact CD2-CD1 4.42Å
650	D	95.4	Very high	96	Very high	46 Å²	46	31.6 Å²	31.6	25%	0.246	18%	0.177	C	C	.	.	H	α-helix	trans	-56.3	-39.5	177.3	49.8	16.3	0	0	0	112.4	R648 L653 D654	R648-D650 WeakPolarHBondContact CB-OD1 3.31Å; R648-D650 IonicContact CZ-OD2 3.88Å; R648-D650 IonicContact NE-OD1 2.75Å; R648-D650 PolarHBondContact NE-OD1 2.78Å; R648-D650 IonicContact NE-OD2 2.68Å; R648-D650 PolarHBondContact NE-OD2 2.88Å; R648-D650 IonicContact NH2-OD2 2.76Å; R648-D650 PolarHBondContact NH2-OD2 3.28Å; R648-D650 PolarHBondContact O-N 2.91Å; D650-L653 PolarHBondContact O-N 3.46Å; D650-D654 VanDerWaalsContact O-CB 3.24Å; D650-D654 WeakPolarHBondContact O-CB 3.36Å; D650-D654 PolarHBondContact O-N 2.88Å
651	T	96.9	Very high	96	Very high	29 Å²	29	36.3 Å²	36.3	18%	0.178	20%	0.197	C	C	.	.	H	α-helix	trans	-65.2	-41.6	177.9	-54	0	0	0	0	111.7	W612 I616 V647 R648 L649 L655	W612-T651 HydrophobicContact CB-CG2 4.1Å; I616-T651 HydrophobicContact CD1-CG2 3.82Å; V647-T651 HydrophobicContact CG1-CG2 3.85Å; R648-T651 WeakPolarHBondContact O-CB 3.23Å; R648-T651 PolarHBondContact O-N 3.08Å; L649-T651 VanDerWaalsContact C-N 3.26Å; L649-T651 PolarHBondContact O-N 3.41Å; T651-L655 WeakPolarHBondContact O-CB 3.28Å; T651-L655 PolarHBondContact O-N 3.17Å
652	A	97.9	Very high	96	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-68	-42	177	0	0	0	0	0	112	V638 F639 V642 L649 L655 S656	V638-A652 HydrophobicContact CB-CB 4.46Å; V638-A652 HydrophobicContact CG1-CB 3.89Å; V638-A652 HydrophobicContact CG2-CB 3.94Å; F639-A652 HydrophobicContact CD1-CB 4.13Å; F639-A652 HydrophobicContact CD2-CB 4.25Å; F639-A652 HydrophobicContact CE1-CB 4.06Å; F639-A652 HydrophobicContact CE2-CB 4.18Å; F639-A652 HydrophobicContact CG-CB 4.23Å; F639-A652 HydrophobicContact CZ-CB 4.08Å; V642-A652 HydrophobicContact CG2-CB 3.76Å; L649-A652 PolarHBondContact O-N 3.29Å; L649-A652 VanDerWaalsContact O-N 3.16Å; A652-L655 WeakPolarHBondContact O-CB 3.39Å; A652-L655 PolarHBondContact O-N 3.39Å; A652-S656 PolarHBondContact O-N 2.84Å
653	L	97.9	Very high	96	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-67.4	-40.4	176.6	-65.7	174.3	0	0	0	111.7	F639 L649 D650 L655 S656 L657 L675 L925 W928	F639-L653 HydrophobicContact CE1-CD2 4.47Å; F639-L653 HydrophobicContact CZ-CD2 4.47Å; L649-L653 HydrophobicContact CD1-CD1 4.32Å; L649-L653 HydrophobicContact CD1-CG 4.19Å; L649-L653 HydrophobicContact CD2-CD1 4.04Å; L649-L653 HydrophobicContact CG-CD1 3.77Å; L649-L653 HydrophobicContact CG-CG 4.08Å; L649-L653 WeakPolarHBondContact O-CG 3.26Å; L649-L653 PolarHBondContact O-N 3Å; D650-L653 PolarHBondContact O-N 3.46Å; L653-L655 VanDerWaalsContact C-N 3.32Å; L653-L655 PolarHBondContact O-N 3.28Å; L653-S656 WeakPolarHBondContact O-CB 3.25Å; L653-S656 PolarHBondContact O-N 3.06Å; L653-S656 VanDerWaalsContact O-N 3.07Å; L653-S656 PolarHBondContact O-OG 2.97Å; L653-L657 PolarHBondContact O-N 3.35Å; L653-L675 HydrophobicContact CD2-CD2 4.21Å; L653-L925 HydrophobicContact CD1-CD1 3.75Å; L653-L925 HydrophobicContact CD2-CD1 4.36Å; L653-W928 HydrophobicContact CB-CD2 3.83Å; L653-W928 VanDerWaalsContact CB-CE2 3.48Å; L653-W928 HydrophobicContact CB-CE3 4.28Å; L653-W928 HydrophobicContact CB-CG 4.32Å; L653-W928 HydrophobicContact CB-CH2 4.14Å; L653-W928 HydrophobicContact CB-CZ2 3.67Å; L653-W928 HydrophobicContact CB-CZ3 4.42Å; L653-W928 HydrophobicContact CD1-CB 3.95Å; L653-W928 HydrophobicContact CD1-CD2 3.59Å; L653-W928 HydrophobicContact CD1-CE3 3.82Å; L653-W928 HydrophobicContact CD1-CG 3.65Å; L653-W928 HydrophobicContact CG-CD2 4.33Å
654	D	97.1	Very high	96.1	Very high	58 Å²	58	43.5 Å²	43.5	31%	0.31	23%	0.233	S	C	.	.	H	α-helix	trans	-64.8	-35.7	175.6	-73.6	-5.4	0	0	0	111.9	D650 W928	D650-D654 VanDerWaalsContact O-CB 3.24Å; D650-D654 WeakPolarHBondContact O-CB 3.36Å; D650-D654 PolarHBondContact O-N 2.88Å; D654-W928 PolarHBondContact OD1-NE1 2.96Å
655	L	98.2	Very high	96.2	Very high	2 Å²	2	42 Å²	42	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-60.5	-49.9	168.3	-171.6	148	0	0	0	109.8	W612 I615 I616 L619 I635 V638 T651 A652 L653 L657 Y658	W612-L655 HydrophobicContact CE3-CD1 4.03Å; W612-L655 HydrophobicContact CZ3-CD1 3.83Å; I615-L655 HydrophobicContact CG2-CD1 4.45Å; I616-L655 HydrophobicContact CD1-CB 4.16Å; I616-L655 HydrophobicContact CG1-CB 3.82Å; I616-L655 HydrophobicContact CG1-CD1 4.06Å; I616-L655 HydrophobicContact CG1-CG 4.14Å; L619-L655 HydrophobicContact CD1-CD1 4.02Å; L619-L655 HydrophobicContact CD1-CD2 4.17Å; L619-L655 HydrophobicContact CD1-CG 3.91Å; I635-L655 HydrophobicContact CG1-CD2 3.89Å; V638-L655 HydrophobicContact CB-CD1 4.38Å; V638-L655 HydrophobicContact CG1-CB 4.5Å; V638-L655 HydrophobicContact CG1-CD1 4.1Å; V638-L655 HydrophobicContact CG1-CD2 4.29Å; T651-L655 WeakPolarHBondContact O-CB 3.28Å; T651-L655 PolarHBondContact O-N 3.17Å; A652-L655 WeakPolarHBondContact O-CB 3.39Å; A652-L655 PolarHBondContact O-N 3.39Å; L653-L655 VanDerWaalsContact C-N 3.32Å; L653-L655 PolarHBondContact O-N 3.28Å; L655-L657 PolarHBondContact O-N 3.44Å; L655-Y658 HydrophobicContact CD2-CD1 4.2Å; L655-Y658 HydrophobicContact CD2-CE1 3.82Å; L655-Y658 WeakPolarHBondContact O-CD1 3.32Å; L655-Y658 PolarHBondContact O-N 3.07Å
656	S	97.8	Very high	96.2	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.007	20%	0.195	C	C	.	.	H	α-helix	trans	-56.1	-24	-176.1	82.4	0	0	0	0	114.6	A652 L653 Y658 L659 Y697	A652-S656 PolarHBondContact O-N 2.84Å; L653-S656 WeakPolarHBondContact O-CB 3.25Å; L653-S656 PolarHBondContact O-N 3.06Å; L653-S656 VanDerWaalsContact O-N 3.07Å; L653-S656 PolarHBondContact O-OG 2.97Å; S656-Y658 PolarHBondContact O-N 2.92Å; S656-Y658 VanDerWaalsContact O-N 3.12Å; S656-L659 WeakPolarHBondContact O-CB 3.39Å; S656-L659 WeakPolarHBondContact O-CD1 3.12Å; S656-L659 VanDerWaalsContact O-CG 3.32Å; S656-L659 WeakPolarHBondContact O-CG 3.45Å; S656-L659 PolarHBondContact O-N 3.1Å; S656-Y697 PolarHBondContact OG-OH 3.39Å
657	L	97.4	Very high	96.4	Very high	54 Å²	54	35.1 Å²	35.1	28%	0.283	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-57	-28.7	179.5	-66.5	174.6	0	0	0	114	L653 L655 L659 S660 Y697 W928	L653-L657 PolarHBondContact O-N 3.35Å; L655-L657 PolarHBondContact O-N 3.44Å; L657-L659 PolarHBondContact O-N 3.2Å; L657-S660 PolarHBondContact O-N 3.5Å; L657-S660 PolarHBondContact O-OG 2.93Å; L657-Y697 HydrophobicContact CD2-CE2 4.35Å; L657-W928 HydrophobicContact CD1-CZ2 4.28Å; L657-W928 HydrophobicContact CD2-CH2 3.84Å; L657-W928 HydrophobicContact CD2-CZ2 4.06Å; L657-W928 HydrophobicContact CG-CH2 4.43Å; L657-W928 HydrophobicContact CG-CZ2 4.21Å
658	Y	98.1	Very high	96.4	Very high	3 Å²	3	34.5 Å²	34.5	1%	0.012	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-65.4	-22.1	177.9	92.8	-96.4	0	0	0	112.5	L619 H623 R631 I635 L655 S656 S660 K661 E662	L619-Y658 HydrophobicContact CB-CD1 3.71Å; L619-Y658 HydrophobicContact CB-CD2 4.32Å; L619-Y658 HydrophobicContact CB-CE1 4.34Å; L619-Y658 HydrophobicContact CB-CG 3.75Å; L619-Y658 HydrophobicContact CD1-CD1 3.77Å; L619-Y658 HydrophobicContact CD1-CE1 3.71Å; L619-Y658 HydrophobicContact CD2-CE1 4.39Å; L619-Y658 HydrophobicContact CD2-CE2 4.49Å; L619-Y658 HydrophobicContact CG-CD1 4.21Å; L619-Y658 HydrophobicContact CG-CE1 4.37Å; H623-Y658 HydrophobicContact CB-CD2 3.94Å; H623-Y658 HydrophobicContact CB-CE2 4.19Å; R631-Y658 WeakPolarHBondContact CB-OH 3.2Å; I635-Y658 HydrophobicContact CD1-CE1 4.29Å; I635-Y658 WeakPolarHBondContact CD1-OH 3.33Å; I635-Y658 HydrophobicContact CG1-CE1 4.28Å; L655-Y658 HydrophobicContact CD2-CD1 4.2Å; L655-Y658 HydrophobicContact CD2-CE1 3.82Å; L655-Y658 WeakPolarHBondContact O-CD1 3.32Å; L655-Y658 PolarHBondContact O-N 3.07Å; S656-Y658 PolarHBondContact O-N 2.92Å; S656-Y658 VanDerWaalsContact O-N 3.12Å; Y658-S660 PolarHBondContact O-N 3.22Å; Y658-K661 PolarHBondContact O-N 3.05Å; Y658-E662 HydrophobicContact CE2-CB 4.25Å; Y658-E662 HydrophobicContact CE2-CG 4.48Å
659	L	98.1	Very high	96.4	Very high	2 Å²	2	29 Å²	29	1%	0.01	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-58.7	-21.3	-179	-71.8	167.4	0	0	0	113	I635 S656 L657 K661 E662 L675 L701 F702	I635-L659 HydrophobicContact CD1-CD2 3.84Å; I635-L659 HydrophobicContact CD1-CG 4.5Å; S656-L659 WeakPolarHBondContact O-CB 3.39Å; S656-L659 WeakPolarHBondContact O-CD1 3.12Å; S656-L659 VanDerWaalsContact O-CG 3.32Å; S656-L659 WeakPolarHBondContact O-CG 3.45Å; S656-L659 PolarHBondContact O-N 3.1Å; L657-L659 PolarHBondContact O-N 3.2Å; L659-K661 PolarHBondContact O-N 3.42Å; L659-K661 VanDerWaalsContact O-N 3.09Å; L659-E662 HydrophobicContact CD2-CB 4.06Å; L659-E662 HydrophobicContact CD2-CG 4.22Å; L659-E662 WeakPolarHBondContact O-CB 3.36Å; L659-E662 PolarHBondContact O-N 2.84Å; L659-L675 HydrophobicContact CD1-CD1 4.36Å; L659-L701 HydrophobicContact CB-CD1 4.28Å; L659-L701 HydrophobicContact CB-CD2 4.09Å; L659-L701 HydrophobicContact CB-CG 4.16Å; L659-L701 HydrophobicContact CD1-CD2 4.18Å; L659-F702 HydrophobicContact CB-CE1 3.95Å; L659-F702 HydrophobicContact CB-CZ 4.09Å; L659-F702 HydrophobicContact CD1-CZ 3.98Å; L659-F702 HydrophobicContact CD2-CE1 4.41Å; L659-F702 HydrophobicContact CD2-CZ 4.48Å; L659-F702 HydrophobicContact CG-CZ 4.42Å
660	S	97	Very high	96.4	Very high	59 Å²	59	29.7 Å²	29.7	41%	0.413	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-56.6	-19.9	169.6	57.3	0	0	0	0	114.4	L657 Y658 L701	L657-S660 PolarHBondContact O-N 3.5Å; L657-S660 PolarHBondContact O-OG 2.93Å; Y658-S660 PolarHBondContact O-N 3.22Å; S660-L701 VanDerWaalsContact CA-O 3.31Å; S660-L701 WeakPolarHBondContact CA-O 3.35Å
661	K	96.8	Very high	96.5	Very high	120 Å²	120	27.5 Å²	27.5	52%	0.522	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-108.5	-3.8	177.7	-55	177.6	-172.1	176.6	0	113.1	Q620 Y658 L659	Q620-K661 PolarHBondContact O-NZ 3.49Å; Y658-K661 PolarHBondContact O-N 3.05Å; L659-K661 PolarHBondContact O-N 3.42Å; L659-K661 VanDerWaalsContact O-N 3.09Å
662	E	97.4	Very high	96.5	Very high	4 Å²	4	26.1 Å²	26.1	2%	0.019	14%	0.138	C	C	.	.			trans	-81	145.6	-172.7	-174.9	53.4	-110.4	0	0	112.1	H623 R631 Y658 L659 Q664 A667 V668	H623-E662 IonicContact CE1-OE2 2.83Å; H623-E662 IonicContact ND1-OE2 3.72Å; H623-E662 PolarHBondContact ND1-OE2 2.9Å; R631-E662 IonicContact CZ-OE1 2.81Å; R631-E662 IonicContact CZ-OE2 2.63Å; R631-E662 IonicContact NE-OE1 3.9Å; R631-E662 IonicContact NE-OE2 2.6Å; R631-E662 PolarHBondContact NE-OE2 3.44Å; R631-E662 VanDerWaalsContact NH2-CD 3.25Å; R631-E662 IonicContact NH2-OE1 2.91Å; R631-E662 PolarHBondContact NH2-OE1 3.29Å; R631-E662 IonicContact NH2-OE2 2.61Å; R631-E662 PolarHBondContact NH2-OE2 3.44Å; Y658-E662 HydrophobicContact CE2-CB 4.25Å; Y658-E662 HydrophobicContact CE2-CG 4.48Å; L659-E662 HydrophobicContact CD2-CB 4.06Å; L659-E662 HydrophobicContact CD2-CG 4.22Å; L659-E662 WeakPolarHBondContact O-CB 3.36Å; L659-E662 PolarHBondContact O-N 2.84Å; E662-Q664 WeakPolarHBondContact OE1-CB 3.37Å; E662-Q664 PolarHBondContact OE1-N 3.22Å; E662-A667 HydrophobicContact CG-CB 3.78Å; E662-V668 HydrophobicContact CB-CG2 4.31Å; E662-V668 HydrophobicContact CG-CG2 3.78Å
663	T	95.3	Very high	96.3	Very high	73 Å²	73	27.9 Å²	27.9	45%	0.448	16%	0.156	S	C	.	.			trans	-135.1	-14.4	-179.4	68	0	0	0	0	113.8
664	Q	93.9	Very high	96.3	Very high	96 Å²	96	28.7 Å²	28.7	45%	0.449	16%	0.16	S	C	.	.			trans	-80.2	130.7	-177.8	-64.6	-62.9	-50	0	0	110.5	R631 E662 M666 A667 V668	R631-Q664 VanDerWaalsContact NH2-CG 3.29Å; E662-Q664 WeakPolarHBondContact OE1-CB 3.37Å; E662-Q664 PolarHBondContact OE1-N 3.22Å; Q664-M666 VanDerWaalsContact C-N 3.3Å; Q664-M666 PolarHBondContact O-N 2.98Å; Q664-A667 PolarHBondContact O-N 2.94Å; Q664-V668 WeakPolarHBondContact O-CG2 3.43Å; Q664-V668 PolarHBondContact O-N 3.46Å; Q664-V668 VanDerWaalsContact O-N 3.11Å
665	I	93.1	Very high	96.3	Very high	9 Å²	9	26 Å²	26	5%	0.046	15%	0.145	C	C	.	.	H	α-helix	trans	-48.8	-50.4	-172.7	-176.3	172.3	0	0	0	112.1	D388 F389 A667 V668 T669 V721 L722	D388-I665 HydrophobicContact CB-CG2 4.19Å; F389-I665 HydrophobicContact CE1-CD1 3.6Å; F389-I665 HydrophobicContact CZ-CD1 3.87Å; I665-A667 PolarHBondContact O-N 3.49Å; I665-V668 PolarHBondContact O-N 3.32Å; I665-T669 HydrophobicContact CG1-CG2 3.96Å; I665-T669 WeakPolarHBondContact O-CG2 3.28Å; I665-T669 PolarHBondContact O-N 3.05Å; I665-T669 PolarHBondContact O-OG1 3.47Å; I665-V721 HydrophobicContact CD1-CB 3.99Å; I665-V721 HydrophobicContact CD1-CG1 3.83Å; I665-L722 HydrophobicContact CD1-CB 4.38Å; I665-L722 HydrophobicContact CG1-CB 4.24Å; I665-L722 HydrophobicContact CG1-CD1 4.48Å
666	M	91.8	Very high	96.2	Very high	17 Å²	17	27 Å²	27	8%	0.084	15%	0.151	C	C	.	.	H	α-helix	trans	-63.4	-47.8	-171.2	-138.7	-27.7	96.7	0	0	112.6	D388 L391 A632 Q664 V668 T669 Q670	D388-M666 WeakPolarHBondContact O-CG 3.38Å; L391-M666 HydrophobicContact CB-CG 4.45Å; L391-M666 HydrophobicContact CB-SD 4.47Å; L391-M666 HydrophobicContact CD2-CG 4.26Å; L391-M666 HydrophobicContact CD2-SD 4.34Å; L391-M666 HydrophobicContact CG-SD 4.47Å; A632-M666 HydrophobicContact CB-CB 4.41Å; A632-M666 HydrophobicContact CB-CG 4.36Å; A632-M666 HydrophobicContact CB-SD 4.2Å; Q664-M666 VanDerWaalsContact C-N 3.3Å; Q664-M666 PolarHBondContact O-N 2.98Å; M666-V668 VanDerWaalsContact C-N 3.34Å; M666-V668 PolarHBondContact O-N 3.43Å; M666-T669 WeakPolarHBondContact CE-OG1 3.47Å; M666-T669 PolarHBondContact O-N 3.33Å; M666-T669 PolarHBondContact O-OG1 2.96Å; M666-T669 VanDerWaalsContact O-OG1 3.07Å; M666-Q670 WeakPolarHBondContact O-CB 3.42Å; M666-Q670 PolarHBondContact O-N 3.37Å
667	A	96.3	Very high	96.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-66.3	-37	178.6	0	0	0	0	0	111.9	R631 I635 E662 Q664 I665 G671	R631-A667 HydrophobicContact CB-CB 4.06Å; I635-A667 WeakPolarHBondContact CD1-O 3.28Å; E662-A667 HydrophobicContact CG-CB 3.78Å; Q664-A667 PolarHBondContact O-N 2.94Å; I665-A667 PolarHBondContact O-N 3.49Å; A667-G671 PolarHBondContact O-N 3.17Å
668	V	97.1	Very high	96	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-65.1	-53.5	175	175.6	0	0	0	0	110.6	E662 Q664 I665 M666 Q670 G671 F672 F702 L705 L722 L726	E662-V668 HydrophobicContact CB-CG2 4.31Å; E662-V668 HydrophobicContact CG-CG2 3.78Å; Q664-V668 WeakPolarHBondContact O-CG2 3.43Å; Q664-V668 PolarHBondContact O-N 3.46Å; Q664-V668 VanDerWaalsContact O-N 3.11Å; I665-V668 PolarHBondContact O-N 3.32Å; M666-V668 VanDerWaalsContact C-N 3.34Å; M666-V668 PolarHBondContact O-N 3.43Å; V668-Q670 PolarHBondContact O-N 2.85Å; V668-G671 WeakPolarHBondContact O-CA 3.47Å; V668-G671 PolarHBondContact O-N 3.42Å; V668-G671 VanDerWaalsContact O-N 3.09Å; V668-F672 HydrophobicContact CG1-CD2 3.85Å; V668-F672 HydrophobicContact CG1-CE2 3.7Å; V668-F672 VanDerWaalsContact O-CD2 3.29Å; V668-F672 WeakPolarHBondContact O-CD2 3.42Å; V668-F672 PolarHBondContact O-N 3.46Å; V668-F702 HydrophobicContact CB-CE1 4.5Å; V668-F702 HydrophobicContact CG1-CD1 4.21Å; V668-F702 HydrophobicContact CG1-CE1 3.82Å; V668-F702 HydrophobicContact CG1-CZ 4.45Å; V668-F702 HydrophobicContact CG2-CE1 4.5Å; V668-L705 HydrophobicContact CG1-CD2 4.11Å; V668-L705 HydrophobicContact CG2-CD2 3.79Å; V668-L722 HydrophobicContact CB-CD1 4.09Å; V668-L722 HydrophobicContact CG1-CD1 3.74Å; V668-L726 HydrophobicContact CG1-CD2 4.29Å
669	T	94.8	Very high	95.8	Very high	33 Å²	33	27.6 Å²	27.6	20%	0.202	16%	0.158	C	C	.	.	H	α-helix	trans	-62.3	-35	-179	51.7	0	0	0	0	111.5	I665 M666 F672 G673	I665-T669 HydrophobicContact CG1-CG2 3.96Å; I665-T669 WeakPolarHBondContact O-CG2 3.28Å; I665-T669 PolarHBondContact O-N 3.05Å; I665-T669 PolarHBondContact O-OG1 3.47Å; M666-T669 WeakPolarHBondContact CE-OG1 3.47Å; M666-T669 PolarHBondContact O-N 3.33Å; M666-T669 PolarHBondContact O-OG1 2.96Å; M666-T669 VanDerWaalsContact O-OG1 3.07Å; T669-F672 PolarHBondContact O-N 3.28Å; T669-G673 PolarHBondContact O-N 3.01Å
670	Q	96.8	Very high	95.6	Very high	16 Å²	16	29 Å²	29	8%	0.075	16%	0.164	C	C	.	.	H	α-helix	trans	-67.3	-41	173.8	-171.3	56.1	41.7	0	0	112.3	F395 A632 I635 Q636 M666 V668 F672 G673 E674	F395-Q670 HydrophobicContact CE2-CG 4.23Å; F395-Q670 VanDerWaalsContact CE2-OE1 3.24Å; A632-Q670 HydrophobicContact CB-CB 3.97Å; A632-Q670 HydrophobicContact CB-CG 4.22Å; A632-Q670 WeakPolarHBondContact O-CG 3.38Å; I635-Q670 HydrophobicContact CB-CG 3.97Å; I635-Q670 HydrophobicContact CG2-CG 3.87Å; Q636-Q670 HydrophobicContact CB-CG 4.45Å; M666-Q670 WeakPolarHBondContact O-CB 3.42Å; M666-Q670 PolarHBondContact O-N 3.37Å; V668-Q670 PolarHBondContact O-N 2.85Å; Q670-F672 VanDerWaalsContact C-N 3.29Å; Q670-F672 PolarHBondContact O-N 3.01Å; Q670-G673 WeakPolarHBondContact O-CA 3.43Å; Q670-G673 PolarHBondContact O-N 3.43Å; Q670-E674 PolarHBondContact NE2-OE1 3.1Å; Q670-E674 VanDerWaalsContact NE2-OE1 3.07Å; Q670-E674 PolarHBondContact O-N 2.82Å
671	G	97.4	Very high	95.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-56.7	-43.3	171.8	0	0	0	0	0	112.2	A667 V668 E674 L675	A667-G671 PolarHBondContact O-N 3.17Å; V668-G671 WeakPolarHBondContact O-CA 3.47Å; V668-G671 PolarHBondContact O-N 3.42Å; V668-G671 VanDerWaalsContact O-N 3.09Å; G671-E674 PolarHBondContact O-N 3.44Å; G671-L675 VanDerWaalsContact O-CB 3.29Å; G671-L675 WeakPolarHBondContact O-CB 3.43Å; G671-L675 WeakPolarHBondContact O-CD1 3.47Å; G671-L675 WeakPolarHBondContact O-CG 3.49Å; G671-L675 PolarHBondContact O-N 3.01Å
672	F	96.1	Very high	95.5	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-64.7	-42	171.2	-80.1	-80.4	0	0	0	112.7	V668 T669 Q670 E674 L675 V676 I698 F702 Y725 L726 F729	V668-F672 HydrophobicContact CG1-CD2 3.85Å; V668-F672 HydrophobicContact CG1-CE2 3.7Å; V668-F672 VanDerWaalsContact O-CD2 3.29Å; V668-F672 WeakPolarHBondContact O-CD2 3.42Å; V668-F672 PolarHBondContact O-N 3.46Å; T669-F672 PolarHBondContact O-N 3.28Å; Q670-F672 VanDerWaalsContact C-N 3.29Å; Q670-F672 PolarHBondContact O-N 3.01Å; F672-E674 PolarHBondContact O-N 3.33Å; F672-L675 PolarHBondContact O-N 3.46Å; F672-V676 HydrophobicContact CB-CG2 4.29Å; F672-V676 HydrophobicContact CD1-CG2 3.83Å; F672-V676 WeakPolarHBondContact O-CB 3.4Å; F672-V676 VanDerWaalsContact O-CG2 3.29Å; F672-V676 WeakPolarHBondContact O-CG2 3.31Å; F672-V676 PolarHBondContact O-N 2.97Å; F672-I698 HydrophobicContact CD1-CG2 4.14Å; F672-I698 HydrophobicContact CE1-CG2 3.72Å; F672-F702 HydrophobicContact CD1-CE2 4.38Å; F672-F702 HydrophobicContact CD2-CD2 4.41Å; F672-F702 AromaticContact CD2-CE2 3.95Å; F672-F702 HydrophobicContact CD2-CE2 3.95Å; F672-F702 AromaticContact CD2-CZ 4Å; F672-F702 HydrophobicContact CD2-CZ 4Å; F672-F702 AromaticContact CE1-CD2 3.92Å; F672-F702 HydrophobicContact CE1-CD2 3.92Å; F672-F702 HydrophobicContact CE1-CE2 4.07Å; F672-F702 HydrophobicContact CE2-CD1 4.08Å; F672-F702 AromaticContact CE2-CD2 3.63Å; F672-F702 HydrophobicContact CE2-CD2 3.63Å; F672-F702 HydrophobicContact CE2-CE1 4.07Å; F672-F702 AromaticContact CE2-CE2 3.62Å; F672-F702 HydrophobicContact CE2-CE2 3.62Å; F672-F702 AromaticContact CE2-CG 3.85Å; F672-F702 HydrophobicContact CE2-CG 3.85Å; F672-F702 AromaticContact CE2-CZ 3.82Å; F672-F702 HydrophobicContact CE2-CZ 3.82Å; F672-F702 HydrophobicContact CG-CE2 4.31Å; F672-F702 HydrophobicContact CZ-CB 4.21Å; F672-F702 HydrophobicContact CZ-CD1 4.44Å; F672-F702 AromaticContact CZ-CD2 3.34Å; F672-F702 HydrophobicContact CZ-CD2 3.34Å; F672-F702 AromaticContact CZ-CE2 3.69Å; F672-F702 HydrophobicContact CZ-CE2 3.69Å; F672-F702 AromaticContact CZ-CG 3.76Å; F672-F702 HydrophobicContact CZ-CG 3.76Å; F672-F702 HydrophobicContact CZ-CZ 4.36Å; F672-Y725 HydrophobicContact CB-CE1 3.76Å; F672-Y725 WeakPolarHBondContact CB-OH 3.34Å; F672-Y725 HydrophobicContact CD1-CE1 4.04Å; F672-Y725 HydrophobicContact CD2-CD1 4.26Å; F672-Y725 AromaticContact CD2-CE1 3.65Å; F672-Y725 HydrophobicContact CD2-CE1 3.65Å; F672-Y725 HydrophobicContact CE2-CE1 4.23Å; F672-Y725 AromaticContact CG-CE1 3.56Å; F672-Y725 HydrophobicContact CG-CE1 3.56Å; F672-L726 HydrophobicContact CE2-CD2 3.65Å; F672-L726 HydrophobicContact CZ-CD2 3.88Å; F672-F729 AromaticContact CD1-CD2 3.97Å; F672-F729 HydrophobicContact CD1-CD2 3.97Å; F672-F729 HydrophobicContact CD1-CE2 4Å; F672-F729 HydrophobicContact CD1-CG 4.29Å; F672-F729 HydrophobicContact CD1-CZ 4.34Å; F672-F729 HydrophobicContact CE1-CB 4.34Å; F672-F729 AromaticContact CE1-CD1 3.51Å; F672-F729 HydrophobicContact CE1-CD1 3.51Å; F672-F729 AromaticContact CE1-CD2 3.62Å; F672-F729 HydrophobicContact CE1-CD2 3.62Å; F672-F729 AromaticContact CE1-CE1 3.6Å; F672-F729 HydrophobicContact CE1-CE1 3.6Å; F672-F729 AromaticContact CE1-CE2 3.7Å; F672-F729 HydrophobicContact CE1-CE2 3.7Å; F672-F729 AromaticContact CE1-CG 3.53Å; F672-F729 HydrophobicContact CE1-CG 3.53Å; F672-F729 AromaticContact CE1-CZ 3.69Å; F672-F729 HydrophobicContact CE1-CZ 3.69Å; F672-F729 AromaticContact CZ-CD1 3.98Å; F672-F729 HydrophobicContact CZ-CD1 3.98Å; F672-F729 HydrophobicContact CZ-CE1 4.27Å; F672-F729 HydrophobicContact CZ-CG 4.2Å
673	G	94.8	Very high	95.3	Very high	37 Å²	37	21.5 Å²	21.5	38%	0.381	13%	0.125	S	C	.	.	H	α-helix	trans	-54.3	-35.3	177.7	0	0	0	0	0	113.1	T669 Q670 P677	T669-G673 PolarHBondContact O-N 3.01Å; Q670-G673 WeakPolarHBondContact O-CA 3.43Å; Q670-G673 PolarHBondContact O-N 3.43Å; G673-P677 WeakPolarHBondContact O-CD 3.5Å; G673-P677 WeakPolarHBondContact O-CG 3.45Å
674	E	96.9	Very high	95.2	Very high	19 Å²	19	18.4 Å²	18.4	9%	0.089	11%	0.105	C	C	.	.	H	α-helix	trans	-91.2	-36.5	177.7	-61.8	-59.6	168.7	0	0	113.9	I635 Q636 F639 Q670 G671 F672	I635-E674 HydrophobicContact CG2-CB 4.35Å; I635-E674 HydrophobicContact CG2-CG 3.77Å; Q636-E674 WeakPolarHBondContact CA-OE1 3.31Å; Q636-E674 PolarHBondContact OE1-OE1 2.89Å; F639-E674 HydrophobicContact CB-CB 4.07Å; F639-E674 VanDerWaalsContact CB-CD 3.49Å; F639-E674 HydrophobicContact CB-CG 3.79Å; F639-E674 WeakPolarHBondContact CB-OE2 3.32Å; F639-E674 HydrophobicContact CD1-CB 3.94Å; F639-E674 HydrophobicContact CD2-CB 3.57Å; F639-E674 HydrophobicContact CD2-CG 3.68Å; F639-E674 HydrophobicContact CE1-CB 4.27Å; F639-E674 HydrophobicContact CE2-CB 3.93Å; F639-E674 HydrophobicContact CE2-CG 4.42Å; F639-E674 HydrophobicContact CG-CB 3.59Å; F639-E674 HydrophobicContact CG-CG 3.78Å; F639-E674 HydrophobicContact CZ-CB 4.26Å; Q670-E674 PolarHBondContact NE2-OE1 3.1Å; Q670-E674 VanDerWaalsContact NE2-OE1 3.07Å; Q670-E674 PolarHBondContact O-N 2.82Å; G671-E674 PolarHBondContact O-N 3.44Å; F672-E674 PolarHBondContact O-N 3.33Å
675	L	97.3	Very high	95.1	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-82.9	-33.4	-174.7	-64.6	172.5	0	0	0	113.3	F639 L653 L659 G671 F672 L678 M694 Y697 I698 L701 F702	F639-L675 HydrophobicContact CE1-CD2 4.21Å; F639-L675 HydrophobicContact CZ-CD2 3.76Å; L653-L675 HydrophobicContact CD2-CD2 4.21Å; L659-L675 HydrophobicContact CD1-CD1 4.36Å; G671-L675 VanDerWaalsContact O-CB 3.29Å; G671-L675 WeakPolarHBondContact O-CB 3.43Å; G671-L675 WeakPolarHBondContact O-CD1 3.47Å; G671-L675 WeakPolarHBondContact O-CG 3.49Å; G671-L675 PolarHBondContact O-N 3.01Å; F672-L675 PolarHBondContact O-N 3.46Å; L675-L678 WeakPolarHBondContact O-CB 3.19Å; L675-L678 PolarHBondContact O-N 2.85Å; L675-M694 HydrophobicContact CB-CE 4.07Å; L675-M694 HydrophobicContact CD2-CE 3.81Å; L675-Y697 HydrophobicContact CD2-CE1 4.46Å; L675-I698 HydrophobicContact CB-CD1 3.87Å; L675-I698 HydrophobicContact CB-CG1 4.03Å; L675-I698 HydrophobicContact CD1-CG1 4.49Å; L675-L701 HydrophobicContact CD1-CD2 3.67Å; L675-F702 HydrophobicContact CD1-CE2 4.45Å
676	V	96	Very high	95.1	Very high	23 Å²	23	24.5 Å²	24.5	14%	0.139	14%	0.135	C	C	.	.	H	α-helix	trans	-66.3	-45.5	-178.6	166.2	0	0	0	0	112.8	F672 L678 Y679 K680 F729	F672-V676 HydrophobicContact CB-CG2 4.29Å; F672-V676 HydrophobicContact CD1-CG2 3.83Å; F672-V676 WeakPolarHBondContact O-CB 3.4Å; F672-V676 VanDerWaalsContact O-CG2 3.29Å; F672-V676 WeakPolarHBondContact O-CG2 3.31Å; F672-V676 PolarHBondContact O-N 2.97Å; V676-L678 PolarHBondContact O-N 3.4Å; V676-L678 VanDerWaalsContact O-N 3.1Å; V676-Y679 HydrophobicContact CB-CE1 4.03Å; V676-Y679 HydrophobicContact CG1-CE1 4Å; V676-Y679 VanDerWaalsContact CG1-OH 3.28Å; V676-Y679 WeakPolarHBondContact CG1-OH 3.24Å; V676-Y679 HydrophobicContact CG2-CE1 3.97Å; V676-Y679 WeakPolarHBondContact O-CD1 3.3Å; V676-Y679 WeakPolarHBondContact O-CE1 3.4Å; V676-Y679 PolarHBondContact O-N 3.21Å; V676-K680 HydrophobicContact CG1-CG 3.89Å; V676-K680 WeakPolarHBondContact O-CG 3.18Å; V676-K680 PolarHBondContact O-N 2.79Å; V676-F729 HydrophobicContact CG2-CD2 4.49Å; V676-F729 HydrophobicContact CG2-CE2 3.95Å
677	P	95.1	Very high	95.2	Very high	59 Å²	59	25.9 Å²	25.9	38%	0.383	14%	0.142	S	C	.	.	H	α-helix	trans	-52.9	-32.3	177.2	-30.2	37.9	0	0	0	113.7	G673 Y679 K680 L681	G673-P677 WeakPolarHBondContact O-CD 3.5Å; G673-P677 WeakPolarHBondContact O-CG 3.45Å; P677-Y679 PolarHBondContact O-N 3Å; P677-K680 WeakPolarHBondContact O-CB 3.37Å; P677-K680 PolarHBondContact O-N 3.39Å; P677-K680 VanDerWaalsContact O-N 3.08Å; P677-L681 WeakPolarHBondContact O-CG 3.21Å; P677-L681 PolarHBondContact O-N 3.41Å
678	L	95.2	Very high	95.1	Very high	9 Å²	9	29.7 Å²	29.7	5%	0.047	17%	0.165	C	C	.	.	H	α-helix	trans	-57.2	-50.6	-177.5	-52.2	-164.9	0	0	0	112.3	L675 V676 M694 W917 L925	L675-L678 WeakPolarHBondContact O-CB 3.19Å; L675-L678 PolarHBondContact O-N 2.85Å; V676-L678 PolarHBondContact O-N 3.4Å; V676-L678 VanDerWaalsContact O-N 3.1Å; L678-M694 HydrophobicContact CB-CE 4.36Å; L678-M694 HydrophobicContact CD1-CE 3.82Å; L678-M694 HydrophobicContact CG-CE 4.45Å; L678-W917 HydrophobicContact CD1-CH2 4.36Å; L678-W917 HydrophobicContact CD2-CH2 3.37Å; L678-W917 HydrophobicContact CD2-CZ2 3.54Å; L678-W917 HydrophobicContact CD2-CZ3 4.13Å; L678-W917 HydrophobicContact CG-CH2 4.33Å; L678-L925 HydrophobicContact CB-CD2 4.46Å; L678-L925 HydrophobicContact CD1-CD2 4.39Å
679	Y	94.9	Very high	95	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.016	19%	0.193	C	C	.	.	H	α-helix	trans	-80.5	-20.8	176.7	74.5	-102.4	0	0	0	112.4	V676 P677 L681 M682 E683 M694 K695 I698 R733	V676-Y679 HydrophobicContact CB-CE1 4.03Å; V676-Y679 HydrophobicContact CG1-CE1 4Å; V676-Y679 VanDerWaalsContact CG1-OH 3.28Å; V676-Y679 WeakPolarHBondContact CG1-OH 3.24Å; V676-Y679 HydrophobicContact CG2-CE1 3.97Å; V676-Y679 WeakPolarHBondContact O-CD1 3.3Å; V676-Y679 WeakPolarHBondContact O-CE1 3.4Å; V676-Y679 PolarHBondContact O-N 3.21Å; P677-Y679 PolarHBondContact O-N 3Å; Y679-L681 VanDerWaalsContact C-N 3.27Å; Y679-L681 PolarHBondContact O-N 2.92Å; Y679-M682 CarbonylContact O-C 3.42Å; Y679-M682 WeakPolarHBondContact O-CA 3.31Å; Y679-M682 WeakPolarHBondContact O-CB 3.36Å; Y679-M682 PolarHBondContact O-N 3.26Å; Y679-E683 HydrophobicContact CD2-CG 4.26Å; Y679-E683 WeakPolarHBondContact CE2-OE1 3.37Å; Y679-E683 PolarHBondContact O-N 3.45Å; Y679-M694 HydrophobicContact CD1-CG 4.4Å; Y679-K695 HydrophobicContact CD1-CG 4.11Å; Y679-K695 HydrophobicContact CD2-CD 4.33Å; Y679-K695 HydrophobicContact CD2-CG 3.95Å; Y679-K695 HydrophobicContact CE1-CG 4.43Å; Y679-K695 HydrophobicContact CE2-CG 4.32Å; Y679-K695 HydrophobicContact CG-CG 3.87Å; Y679-I698 HydrophobicContact CD1-CD1 3.68Å; Y679-I698 HydrophobicContact CE1-CD1 3.67Å; Y679-R733 VanDerWaalsContact CZ-NH2 3.29Å; Y679-R733 VanDerWaalsContact OH-CZ 3.31Å; Y679-R733 PolarHBondContact OH-NE 3.39Å; Y679-R733 VanDerWaalsContact OH-NE 3.11Å; Y679-R733 PolarHBondContact OH-NH2 3.02Å
680	K	94.7	Very high	95	Very high	31 Å²	31	33.1 Å²	33.1	14%	0.135	19%	0.186	C	C	.	.	H	α-helix	trans	-64.2	-32.5	174.3	-73.8	-56	-166.2	171.4	0	112.9	V676 P677 M682 E683 R836	V676-K680 HydrophobicContact CG1-CG 3.89Å; V676-K680 WeakPolarHBondContact O-CG 3.18Å; V676-K680 PolarHBondContact O-N 2.79Å; P677-K680 WeakPolarHBondContact O-CB 3.37Å; P677-K680 PolarHBondContact O-N 3.39Å; P677-K680 VanDerWaalsContact O-N 3.08Å; K680-M682 VanDerWaalsContact C-N 3.31Å; K680-E683 WeakPolarHBondContact CD-OE2 3.28Å; K680-E683 WeakPolarHBondContact CE-OE2 3.4Å; K680-E683 IonicContact NZ-OE1 3.35Å; K680-E683 IonicContact NZ-OE2 3.76Å; K680-E683 PolarHBondContact NZ-OE2 2.9Å; K680-R836 PolarHBondContact NZ-O 3.04Å
681	L	94.9	Very high	94.9	Very high	12 Å²	12	33.4 Å²	33.4	6%	0.063	19%	0.187	C	C	.	.	H	α-helix	trans	-67.8	-33.6	170.3	-64.4	175.4	0	0	0	111.5	P677 Y679 R685 N914 W917 T918 F922	P677-L681 WeakPolarHBondContact O-CG 3.21Å; P677-L681 PolarHBondContact O-N 3.41Å; Y679-L681 VanDerWaalsContact C-N 3.27Å; Y679-L681 PolarHBondContact O-N 2.92Å; L681-R685 WeakPolarHBondContact O-CG 3.47Å; L681-N914 HydrophobicContact CD2-CB 4.16Å; L681-W917 HydrophobicContact CD1-CE3 4.34Å; L681-T918 HydrophobicContact CB-CG2 4.26Å; L681-T918 HydrophobicContact CD1-CG2 3.8Å; L681-F922 HydrophobicContact CB-CZ 4.01Å
682	M	96	Very high	94.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-75	-34.4	178.4	-56.8	170	-170	0	0	113	Y679 K680 K684 R685 M687 L690 E691 F922 L925	Y679-M682 CarbonylContact O-C 3.42Å; Y679-M682 WeakPolarHBondContact O-CA 3.31Å; Y679-M682 WeakPolarHBondContact O-CB 3.36Å; Y679-M682 PolarHBondContact O-N 3.26Å; K680-M682 VanDerWaalsContact C-N 3.31Å; M682-K684 PolarHBondContact O-N 2.85Å; M682-R685 CarbonylContact O-C 3.45Å; M682-R685 WeakPolarHBondContact O-CA 3.42Å; M682-R685 WeakPolarHBondContact O-CB 3.17Å; M682-R685 PolarHBondContact O-N 2.95Å; M682-M687 HydrophobicContact CB-CB 4.17Å; M682-M687 HydrophobicContact CG-CB 4.47Å; M682-M687 HydrophobicContact CG-SD 4.5Å; M682-L690 HydrophobicContact CE-CD2 3.65Å; M682-L690 HydrophobicContact CE-CG 3.79Å; M682-L690 HydrophobicContact SD-CB 4.26Å; M682-L690 HydrophobicContact SD-CD2 4.15Å; M682-L690 HydrophobicContact SD-CG 3.87Å; M682-E691 HydrophobicContact CB-CB 3.89Å; M682-E691 HydrophobicContact CB-CG 4.19Å; M682-E691 HydrophobicContact SD-CB 4.25Å; M682-F922 HydrophobicContact CE-CD1 3.89Å; M682-F922 HydrophobicContact CE-CE1 3.56Å; M682-F922 HydrophobicContact CE-CZ 4.08Å; M682-F922 HydrophobicContact CG-CE1 4.08Å; M682-F922 HydrophobicContact CG-CE2 4.17Å; M682-F922 HydrophobicContact CG-CZ 3.62Å; M682-L925 HydrophobicContact CE-CD2 3.36Å
683	E	94.1	Very high	94.7	Very high	14 Å²	14	37.8 Å²	37.8	7%	0.065	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-17.5	178.3	-80.1	-179.5	167.6	0	0	113.3	Y679 K680 E691 K695 R733 P838	Y679-E683 HydrophobicContact CD2-CG 4.26Å; Y679-E683 WeakPolarHBondContact CE2-OE1 3.37Å; Y679-E683 PolarHBondContact O-N 3.45Å; K680-E683 WeakPolarHBondContact CD-OE2 3.28Å; K680-E683 WeakPolarHBondContact CE-OE2 3.4Å; K680-E683 IonicContact NZ-OE1 3.35Å; K680-E683 IonicContact NZ-OE2 3.76Å; K680-E683 PolarHBondContact NZ-OE2 2.9Å; E683-E691 HydrophobicContact CG-CG 4.26Å; E683-E691 WeakPolarHBondContact CG-OE1 3.49Å; E683-K695 VanDerWaalsContact OE1-CE 3.27Å; E683-K695 WeakPolarHBondContact OE1-CE 3.39Å; E683-K695 IonicContact OE1-NZ 3.83Å; E683-K695 PolarHBondContact OE1-NZ 3.06Å; E683-R733 IonicContact OE1-NH1 2.81Å; E683-R733 IonicContact OE1-NH2 3.52Å; E683-P838 HydrophobicContact CB-CB 4.4Å; E683-P838 HydrophobicContact CB-CG 4.22Å; E683-P838 HydrophobicContact CG-CG 4.05Å; E683-P838 WeakPolarHBondContact OE2-CG 3.18Å
684	K	93.3	Very high	94.7	Very high	8 Å²	8	36 Å²	36	4%	0.035	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	12.3	177.3	-58.4	-174	-175.5	58	0	113.1	M682 Y841 Q876 Y877 M882	M682-K684 PolarHBondContact O-N 2.85Å; K684-Y841 HydrophobicContact CB-CE1 4.47Å; K684-Y841 HydrophobicContact CB-CE2 4.22Å; K684-Y841 HydrophobicContact CD-CD1 4.47Å; K684-Y841 HydrophobicContact CD-CD2 3.87Å; K684-Y841 HydrophobicContact CD-CE2 4.32Å; K684-Y841 HydrophobicContact CD-CG 3.94Å; K684-Y841 HydrophobicContact CG-CD1 4.03Å; K684-Y841 HydrophobicContact CG-CD2 4.11Å; K684-Y841 HydrophobicContact CG-CE1 4.15Å; K684-Y841 HydrophobicContact CG-CE2 4.21Å; K684-Y841 HydrophobicContact CG-CG 4Å; K684-Q876 HydrophobicContact CD-CB 4.19Å; K684-Y877 HydrophobicContact CD-CD1 3.69Å; K684-Y877 HydrophobicContact CD-CE1 3.78Å; K684-M882 HydrophobicContact CB-CE 4.29Å; K684-M882 WeakPolarHBondContact O-CE 3.48Å
685	R	91.8	Very high	94.6	Very high	76 Å²	76	36.5 Å²	36.5	29%	0.287	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.1	168	-178.2	-59.3	-72	-68.4	-87.6	-1.3	109.4	L681 M682 M687 S878	L681-R685 WeakPolarHBondContact O-CG 3.47Å; M682-R685 CarbonylContact O-C 3.45Å; M682-R685 WeakPolarHBondContact O-CA 3.42Å; M682-R685 WeakPolarHBondContact O-CB 3.17Å; M682-R685 PolarHBondContact O-N 2.95Å; R685-M687 HydrophobicContact CB-CB 4.33Å; R685-M687 HydrophobicContact CB-CG 3.9Å; R685-M687 HydrophobicContact CB-SD 4.16Å; R685-M687 PolarHBondContact O-N 2.85Å; R685-M687 VanDerWaalsContact O-N 3.1Å; R685-S878 PolarHBondContact NH1-O 2.91Å; R685-S878 PolarHBondContact NH1-OG 2.6Å
686	D	91.9	Very high	94.4	Very high	156 Å²	156	37.7 Å²	37.7	83%	0.834	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	66.2	172.8	-166.9	23.2	0	0	0	110.2
687	M	94.6	Very high	94.4	Very high	46 Å²	46	38.1 Å²	38.1	23%	0.227	21%	0.205	C	C	.	.			trans	-135.5	32.9	-170.4	-65.9	-171.2	77.1	0	0	113.2	M682 R685 V689 L690 E691 F922	M682-M687 HydrophobicContact CB-CB 4.17Å; M682-M687 HydrophobicContact CG-CB 4.47Å; M682-M687 HydrophobicContact CG-SD 4.5Å; R685-M687 HydrophobicContact CB-CB 4.33Å; R685-M687 HydrophobicContact CB-CG 3.9Å; R685-M687 HydrophobicContact CB-SD 4.16Å; R685-M687 PolarHBondContact O-N 2.85Å; R685-M687 VanDerWaalsContact O-N 3.1Å; M687-V689 VanDerWaalsContact C-N 3.27Å; M687-V689 PolarHBondContact O-N 2.95Å; M687-V689 VanDerWaalsContact O-N 3.15Å; M687-L690 HydrophobicContact CE-CD2 3.61Å; M687-L690 PolarHBondContact O-N 2.74Å; M687-E691 VanDerWaalsContact O-CB 3.28Å; M687-E691 WeakPolarHBondContact O-CB 3.3Å; M687-E691 PolarHBondContact O-N 3.27Å; M687-F922 HydrophobicContact CE-CB 4.27Å; M687-F922 HydrophobicContact CE-CD2 3.47Å; M687-F922 VanDerWaalsContact CE-CD2 3.47Å; M687-F922 HydrophobicContact CE-CE2 3.92Å; M687-F922 HydrophobicContact CE-CG 4.08Å; M687-F922 HydrophobicContact SD-CD2 3.49Å; M687-F922 WeakPolarHBondContact SD-CD2 3.45Å; M687-F922 HydrophobicContact SD-CE2 3.39Å; M687-F922 WeakPolarHBondContact SD-CE2 3.39Å; M687-F922 HydrophobicContact SD-CZ 4.42Å
688	T	93.3	Very high	94.4	Very high	81 Å²	81	35.3 Å²	35.3	50%	0.497	19%	0.187	S	C	.	.	H	α-helix	trans	-54.4	-36.9	-172	50.8	0	0	0	0	114.3	N692	T688-N692 VanDerWaalsContact O-CB 3.31Å; T688-N692 WeakPolarHBondContact O-CB 3.35Å; T688-N692 PolarHBondContact O-N 3.01Å
689	V	94.4	Very high	94.4	Very high	97 Å²	97	35.5 Å²	35.5	59%	0.588	19%	0.188	S	C	*	.	H	α-helix	trans	-65.6	-53.3	179.2	178.8	0	0	0	0	111.2	M687 E691 N692 Q693	M687-V689 VanDerWaalsContact C-N 3.27Å; M687-V689 PolarHBondContact O-N 2.95Å; M687-V689 VanDerWaalsContact O-N 3.15Å; V689-E691 VanDerWaalsContact C-N 3.32Å; V689-E691 PolarHBondContact O-N 3.13Å; V689-N692 PolarHBondContact O-N 2.93Å; V689-Q693 WeakPolarHBondContact O-CG 3.43Å; V689-Q693 PolarHBondContact O-N 2.95Å
690	L	95.1	Very high	94.4	Very high	8 Å²	8	39.5 Å²	39.5	4%	0.042	21%	0.209	C	C	.	.	H	α-helix	trans	-66.1	-38.3	179.7	-175	62.1	0	0	0	111.3	M682 M687 Q693 M694 E926 L929	M682-L690 HydrophobicContact CE-CD2 3.65Å; M682-L690 HydrophobicContact CE-CG 3.79Å; M682-L690 HydrophobicContact SD-CB 4.26Å; M682-L690 HydrophobicContact SD-CD2 4.15Å; M682-L690 HydrophobicContact SD-CG 3.87Å; M687-L690 HydrophobicContact CE-CD2 3.61Å; M687-L690 PolarHBondContact O-N 2.74Å; L690-Q693 PolarHBondContact O-N 2.8Å; L690-M694 WeakPolarHBondContact O-CB 3.5Å; L690-M694 PolarHBondContact O-N 2.87Å; L690-E926 HydrophobicContact CD1-CB 3.78Å; L690-E926 HydrophobicContact CD1-CG 4.18Å; L690-E926 HydrophobicContact CD2-CB 4.32Å; L690-L929 HydrophobicContact CD1-CD1 3.79Å
691	E	94.8	Very high	94.4	Very high	22 Å²	22	38.7 Å²	38.7	10%	0.103	21%	0.207	C	C	.	.	H	α-helix	trans	-55.4	-51.7	173.5	-177.9	-164.8	147	0	0	111.3	M682 E683 M687 V689 M694 K695	M682-E691 HydrophobicContact CB-CB 3.89Å; M682-E691 HydrophobicContact CB-CG 4.19Å; M682-E691 HydrophobicContact SD-CB 4.25Å; E683-E691 HydrophobicContact CG-CG 4.26Å; E683-E691 WeakPolarHBondContact CG-OE1 3.49Å; M687-E691 VanDerWaalsContact O-CB 3.28Å; M687-E691 WeakPolarHBondContact O-CB 3.3Å; M687-E691 PolarHBondContact O-N 3.27Å; V689-E691 VanDerWaalsContact C-N 3.32Å; V689-E691 PolarHBondContact O-N 3.13Å; E691-M694 PolarHBondContact O-N 2.98Å; E691-K695 HydrophobicContact CG-CD 4.18Å; E691-K695 WeakPolarHBondContact O-CB 3.29Å; E691-K695 VanDerWaalsContact O-CG 3.31Å; E691-K695 WeakPolarHBondContact O-CG 3.39Å; E691-K695 PolarHBondContact O-N 3.02Å; E691-K695 WeakPolarHBondContact OE1-CE 3.48Å; E691-K695 IonicContact OE1-NZ 2.77Å; E691-K695 PolarHBondContact OE1-NZ 2.92Å
692	N	93.8	Very high	94.5	Very high	61 Å²	61	38.2 Å²	38.2	33%	0.326	20%	0.204	S	C	.	.	H	α-helix	trans	-66.8	-37.3	-179.7	-79.9	-9.5	0	0	0	112.2	T688 V689 K695 G696 L941	T688-N692 VanDerWaalsContact O-CB 3.31Å; T688-N692 WeakPolarHBondContact O-CB 3.35Å; T688-N692 PolarHBondContact O-N 3.01Å; V689-N692 PolarHBondContact O-N 2.93Å; N692-K695 PolarHBondContact O-N 3.2Å; N692-G696 PolarHBondContact O-N 3.43Å; N692-L941 PolarHBondContact ND2-O 3.31Å
693	Q	94.9	Very high	94.5	Very high	30 Å²	30	43.4 Å²	43.4	14%	0.14	22%	0.224	C	C	.	.	H	α-helix	trans	-61.1	-46.2	172.8	-72.8	-179	-7.1	0	0	111.8	V689 L690 G696 Y697 L929 Q933	V689-Q693 WeakPolarHBondContact O-CG 3.43Å; V689-Q693 PolarHBondContact O-N 2.95Å; L690-Q693 PolarHBondContact O-N 2.8Å; Q693-G696 PolarHBondContact O-N 2.94Å; Q693-Y697 WeakPolarHBondContact O-CB 3.13Å; Q693-Y697 PolarHBondContact O-N 2.86Å; Q693-L929 HydrophobicContact CB-CD1 4.28Å; Q693-Q933 VanDerWaalsContact CD-NE2 3.33Å; Q693-Q933 VanDerWaalsContact NE2-NE2 3.14Å
694	M	95.4	Very high	94.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.5	-42	178.7	-173	63.4	-162.5	0	0	111.6	L675 L678 Y679 L690 E691 G696 Y697 I698 L925 L929	L675-M694 HydrophobicContact CB-CE 4.07Å; L675-M694 HydrophobicContact CD2-CE 3.81Å; L678-M694 HydrophobicContact CB-CE 4.36Å; L678-M694 HydrophobicContact CD1-CE 3.82Å; L678-M694 HydrophobicContact CG-CE 4.45Å; Y679-M694 HydrophobicContact CD1-CG 4.4Å; L690-M694 WeakPolarHBondContact O-CB 3.5Å; L690-M694 PolarHBondContact O-N 2.87Å; E691-M694 PolarHBondContact O-N 2.98Å; M694-G696 PolarHBondContact O-N 2.81Å; M694-Y697 HydrophobicContact CE-CD1 3.96Å; M694-Y697 HydrophobicContact CE-CE1 4.34Å; M694-Y697 PolarHBondContact O-N 3.16Å; M694-Y697 HydrophobicContact SD-CD1 4.11Å; M694-I698 HydrophobicContact CE-CD1 3.8Å; M694-I698 HydrophobicContact CE-CG1 3.83Å; M694-I698 HydrophobicContact CG-CD1 4.33Å; M694-I698 WeakPolarHBondContact O-CG1 3.1Å; M694-I698 PolarHBondContact O-N 3.02Å; M694-I698 VanDerWaalsContact O-N 3.1Å; M694-L925 HydrophobicContact SD-CD1 3.99Å; M694-L925 HydrophobicContact SD-CD2 4.41Å; M694-L929 HydrophobicContact CB-CD1 4.29Å; M694-L929 HydrophobicContact SD-CD1 4.2Å; M694-L929 HydrophobicContact SD-CD2 4.4Å
695	K	94.4	Very high	94.8	Very high	30 Å²	30	47.9 Å²	47.9	13%	0.13	25%	0.248	C	C	.	.	H	α-helix	trans	-59	-47.3	174.3	-74.9	173.7	174	-179.7	0	111.5	Y679 E683 E691 N692 I698 V699	Y679-K695 HydrophobicContact CD1-CG 4.11Å; Y679-K695 HydrophobicContact CD2-CD 4.33Å; Y679-K695 HydrophobicContact CD2-CG 3.95Å; Y679-K695 HydrophobicContact CE1-CG 4.43Å; Y679-K695 HydrophobicContact CE2-CG 4.32Å; Y679-K695 HydrophobicContact CG-CG 3.87Å; E683-K695 VanDerWaalsContact OE1-CE 3.27Å; E683-K695 WeakPolarHBondContact OE1-CE 3.39Å; E683-K695 IonicContact OE1-NZ 3.83Å; E683-K695 PolarHBondContact OE1-NZ 3.06Å; E691-K695 HydrophobicContact CG-CD 4.18Å; E691-K695 WeakPolarHBondContact O-CB 3.29Å; E691-K695 VanDerWaalsContact O-CG 3.31Å; E691-K695 WeakPolarHBondContact O-CG 3.39Å; E691-K695 PolarHBondContact O-N 3.02Å; E691-K695 WeakPolarHBondContact OE1-CE 3.48Å; E691-K695 IonicContact OE1-NZ 2.77Å; E691-K695 PolarHBondContact OE1-NZ 2.92Å; N692-K695 PolarHBondContact O-N 3.2Å; K695-I698 PolarHBondContact O-N 3.43Å; K695-V699 WeakPolarHBondContact O-CG2 3.32Å; K695-V699 PolarHBondContact O-N 2.87Å; K695-V699 VanDerWaalsContact O-N 3.15Å
696	G	93.8	Very high	95	Very high	25 Å²	25	44.5 Å²	44.5	26%	0.258	24%	0.236	S	C	.	.	H	α-helix	trans	-61.1	-44.8	177	0	0	0	0	0	112.4	N692 Q693 M694 I698 V699 D700	N692-G696 PolarHBondContact O-N 3.43Å; Q693-G696 PolarHBondContact O-N 2.94Å; M694-G696 PolarHBondContact O-N 2.81Å; G696-I698 PolarHBondContact O-N 3.38Å; G696-V699 PolarHBondContact O-N 3.36Å; G696-D700 WeakPolarHBondContact O-CB 3.21Å; G696-D700 PolarHBondContact O-N 2.69Å
697	Y	95.4	Very high	95.2	Very high	32 Å²	32	41.2 Å²	41.2	13%	0.125	22%	0.218	C	C	.	.	H	α-helix	trans	-55.7	-47.2	175.8	168	-105.9	0	0	0	112.5	S656 L657 L675 Q693 M694 D700 L701 W928 L929	S656-Y697 PolarHBondContact OG-OH 3.39Å; L657-Y697 HydrophobicContact CD2-CE2 4.35Å; L675-Y697 HydrophobicContact CD2-CE1 4.46Å; Q693-Y697 WeakPolarHBondContact O-CB 3.13Å; Q693-Y697 PolarHBondContact O-N 2.86Å; M694-Y697 HydrophobicContact CE-CD1 3.96Å; M694-Y697 HydrophobicContact CE-CE1 4.34Å; M694-Y697 PolarHBondContact O-N 3.16Å; M694-Y697 HydrophobicContact SD-CD1 4.11Å; Y697-D700 PolarHBondContact O-N 2.9Å; Y697-L701 HydrophobicContact CE1-CD2 4.26Å; Y697-L701 WeakPolarHBondContact O-CB 3.44Å; Y697-L701 PolarHBondContact O-N 3.41Å; Y697-W928 HydrophobicContact CD2-CZ3 4.18Å; Y697-W928 HydrophobicContact CE1-CZ3 4.33Å; Y697-W928 AromaticContact CE2-CH2 3.68Å; Y697-W928 HydrophobicContact CE2-CH2 3.68Å; Y697-W928 AromaticContact CE2-CZ3 3.72Å; Y697-W928 HydrophobicContact CE2-CZ3 3.72Å; Y697-W928 AromaticContact CZ-CH2 3.67Å; Y697-W928 AromaticContact CZ-CZ3 3.81Å; Y697-L929 HydrophobicContact CD1-CD2 4.3Å; Y697-L929 HydrophobicContact CD2-CD2 4.32Å; Y697-L929 HydrophobicContact CG-CD2 3.87Å
698	I	96	Very high	95.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-66.5	-41.2	-179.1	-60.1	165.4	0	0	0	111	F672 L675 Y679 M694 K695 G696 D700 L701 F702 F729	F672-I698 HydrophobicContact CD1-CG2 4.14Å; F672-I698 HydrophobicContact CE1-CG2 3.72Å; L675-I698 HydrophobicContact CB-CD1 3.87Å; L675-I698 HydrophobicContact CB-CG1 4.03Å; L675-I698 HydrophobicContact CD1-CG1 4.49Å; Y679-I698 HydrophobicContact CD1-CD1 3.68Å; Y679-I698 HydrophobicContact CE1-CD1 3.67Å; M694-I698 HydrophobicContact CE-CD1 3.8Å; M694-I698 HydrophobicContact CE-CG1 3.83Å; M694-I698 HydrophobicContact CG-CD1 4.33Å; M694-I698 WeakPolarHBondContact O-CG1 3.1Å; M694-I698 PolarHBondContact O-N 3.02Å; M694-I698 VanDerWaalsContact O-N 3.1Å; K695-I698 PolarHBondContact O-N 3.43Å; G696-I698 PolarHBondContact O-N 3.38Å; I698-D700 VanDerWaalsContact C-N 3.29Å; I698-D700 PolarHBondContact O-N 3.14Å; I698-L701 PolarHBondContact O-N 3.34Å; I698-F702 HydrophobicContact CG2-CD2 3.91Å; I698-F702 HydrophobicContact CG2-CE2 4.08Å; I698-F702 WeakPolarHBondContact O-CD2 3.36Å; I698-F702 PolarHBondContact O-N 3.09Å; I698-F729 HydrophobicContact CB-CE1 4.47Å; I698-F729 HydrophobicContact CB-CZ 3.94Å; I698-F729 HydrophobicContact CG2-CE1 3.8Å; I698-F729 HydrophobicContact CG2-CE2 4.22Å; I698-F729 HydrophobicContact CG2-CZ 3.37Å
699	V	94.9	Very high	95.4	Very high	12 Å²	12	45.2 Å²	45.2	7%	0.073	22%	0.223	C	C	.	.	H	α-helix	trans	-60	-43	174.8	172.3	0	0	0	0	110.6	K695 G696 F702 R703 F729 R733	K695-V699 WeakPolarHBondContact O-CG2 3.32Å; K695-V699 PolarHBondContact O-N 2.87Å; K695-V699 VanDerWaalsContact O-N 3.15Å; G696-V699 PolarHBondContact O-N 3.36Å; V699-F702 PolarHBondContact O-N 3.24Å; V699-R703 VanDerWaalsContact O-CA 3.32Å; V699-R703 WeakPolarHBondContact O-CA 3.37Å; V699-R703 WeakPolarHBondContact O-CB 3.42Å; V699-R703 PolarHBondContact O-N 3.03Å; V699-F729 HydrophobicContact CG2-CE1 3.8Å; V699-F729 HydrophobicContact CG2-CZ 4.44Å; V699-R733 HydrophobicContact CG2-CB 3.67Å; V699-R733 HydrophobicContact CG2-CG 4.27Å
700	D	94.3	Very high	95.5	Very high	88 Å²	88	45.9 Å²	45.9	47%	0.471	22%	0.22	S	C	.	.	H	α-helix	trans	-67.9	-40.6	179.5	-73.5	-2.5	0	0	0	112.4	G696 Y697 I698 F702 R703	G696-D700 WeakPolarHBondContact O-CB 3.21Å; G696-D700 PolarHBondContact O-N 2.69Å; Y697-D700 PolarHBondContact O-N 2.9Å; I698-D700 VanDerWaalsContact C-N 3.29Å; I698-D700 PolarHBondContact O-N 3.14Å; D700-F702 VanDerWaalsContact C-N 3.29Å; D700-F702 PolarHBondContact O-N 3.02Å; D700-R703 WeakPolarHBondContact O-CB 3.49Å; D700-R703 PolarHBondContact O-N 3.44Å; D700-R703 IonicContact OD1-CZ 3.61Å; D700-R703 IonicContact OD1-NE 3.59Å; D700-R703 PolarHBondContact OD1-NE 3.38Å; D700-R703 IonicContact OD1-NH2 3.43Å; D700-R703 PolarHBondContact OD1-NH2 3.02Å; D700-R703 IonicContact OD2-NH2 3.24Å
701	L	95.9	Very high	95.5	Very high	14 Å²	14	48.3 Å²	48.3	7%	0.073	23%	0.229	C	C	.	.	H	α-helix	trans	-58.5	-41.7	177.6	-177.4	63.9	0	0	0	111.6	L659 S660 L675 Y697 I698	L659-L701 HydrophobicContact CB-CD1 4.28Å; L659-L701 HydrophobicContact CB-CD2 4.09Å; L659-L701 HydrophobicContact CB-CG 4.16Å; L659-L701 HydrophobicContact CD1-CD2 4.18Å; S660-L701 VanDerWaalsContact CA-O 3.31Å; S660-L701 WeakPolarHBondContact CA-O 3.35Å; L675-L701 HydrophobicContact CD1-CD2 3.67Å; Y697-L701 HydrophobicContact CE1-CD2 4.26Å; Y697-L701 WeakPolarHBondContact O-CB 3.44Å; Y697-L701 PolarHBondContact O-N 3.41Å; I698-L701 PolarHBondContact O-N 3.34Å
702	F	96.6	Very high	95.6	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.009	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100	7.9	-179.1	-66.1	-72.3	0	0	0	114	L659 V668 F672 L675 I698 V699 D700 D704 L705 I706	L659-F702 HydrophobicContact CB-CE1 3.95Å; L659-F702 HydrophobicContact CB-CZ 4.09Å; L659-F702 HydrophobicContact CD1-CZ 3.98Å; L659-F702 HydrophobicContact CD2-CE1 4.41Å; L659-F702 HydrophobicContact CD2-CZ 4.48Å; L659-F702 HydrophobicContact CG-CZ 4.42Å; V668-F702 HydrophobicContact CB-CE1 4.5Å; V668-F702 HydrophobicContact CG1-CD1 4.21Å; V668-F702 HydrophobicContact CG1-CE1 3.82Å; V668-F702 HydrophobicContact CG1-CZ 4.45Å; V668-F702 HydrophobicContact CG2-CE1 4.5Å; F672-F702 HydrophobicContact CD1-CE2 4.38Å; F672-F702 HydrophobicContact CD2-CD2 4.41Å; F672-F702 AromaticContact CD2-CE2 3.95Å; F672-F702 HydrophobicContact CD2-CE2 3.95Å; F672-F702 AromaticContact CD2-CZ 4Å; F672-F702 HydrophobicContact CD2-CZ 4Å; F672-F702 AromaticContact CE1-CD2 3.92Å; F672-F702 HydrophobicContact CE1-CD2 3.92Å; F672-F702 HydrophobicContact CE1-CE2 4.07Å; F672-F702 HydrophobicContact CE2-CD1 4.08Å; F672-F702 AromaticContact CE2-CD2 3.63Å; F672-F702 HydrophobicContact CE2-CD2 3.63Å; F672-F702 HydrophobicContact CE2-CE1 4.07Å; F672-F702 AromaticContact CE2-CE2 3.62Å; F672-F702 HydrophobicContact CE2-CE2 3.62Å; F672-F702 AromaticContact CE2-CG 3.85Å; F672-F702 HydrophobicContact CE2-CG 3.85Å; F672-F702 AromaticContact CE2-CZ 3.82Å; F672-F702 HydrophobicContact CE2-CZ 3.82Å; F672-F702 HydrophobicContact CG-CE2 4.31Å; F672-F702 HydrophobicContact CZ-CB 4.21Å; F672-F702 HydrophobicContact CZ-CD1 4.44Å; F672-F702 AromaticContact CZ-CD2 3.34Å; F672-F702 HydrophobicContact CZ-CD2 3.34Å; F672-F702 AromaticContact CZ-CE2 3.69Å; F672-F702 HydrophobicContact CZ-CE2 3.69Å; F672-F702 AromaticContact CZ-CG 3.76Å; F672-F702 HydrophobicContact CZ-CG 3.76Å; F672-F702 HydrophobicContact CZ-CZ 4.36Å; L675-F702 HydrophobicContact CD1-CE2 4.45Å; I698-F702 HydrophobicContact CG2-CD2 3.91Å; I698-F702 HydrophobicContact CG2-CE2 4.08Å; I698-F702 WeakPolarHBondContact O-CD2 3.36Å; I698-F702 PolarHBondContact O-N 3.09Å; V699-F702 PolarHBondContact O-N 3.24Å; D700-F702 VanDerWaalsContact C-N 3.29Å; D700-F702 PolarHBondContact O-N 3.02Å; F702-D704 PolarHBondContact O-N 2.93Å; F702-L705 PolarHBondContact O-N 3.47Å; F702-I706 HydrophobicContact CB-CD1 3.91Å; F702-I706 HydrophobicContact CB-CG1 4.26Å; F702-I706 WeakPolarHBondContact O-CG1 3.47Å; F702-I706 PolarHBondContact O-N 2.9Å
703	R	95.7	Very high	95.6	Very high	109 Å²	109	48.4 Å²	48.4	41%	0.411	23%	0.232	S	C	.	.	H	α-helix	trans	-54.2	-50.7	-170.6	-176.3	-176.5	-68.8	-170.2	-3.4	112.6	V699 D700 L705 I706 D707	V699-R703 VanDerWaalsContact O-CA 3.32Å; V699-R703 WeakPolarHBondContact O-CA 3.37Å; V699-R703 WeakPolarHBondContact O-CB 3.42Å; V699-R703 PolarHBondContact O-N 3.03Å; D700-R703 WeakPolarHBondContact O-CB 3.49Å; D700-R703 PolarHBondContact O-N 3.44Å; D700-R703 IonicContact OD1-CZ 3.61Å; D700-R703 IonicContact OD1-NE 3.59Å; D700-R703 PolarHBondContact OD1-NE 3.38Å; D700-R703 IonicContact OD1-NH2 3.43Å; D700-R703 PolarHBondContact OD1-NH2 3.02Å; D700-R703 IonicContact OD2-NH2 3.24Å; R703-L705 VanDerWaalsContact C-N 3.26Å; R703-L705 PolarHBondContact O-N 3.48Å; R703-I706 PolarHBondContact O-N 2.75Å; R703-D707 WeakPolarHBondContact CG-OD2 3.37Å; R703-D707 WeakPolarHBondContact O-CB 3.31Å; R703-D707 PolarHBondContact O-N 2.93Å
704	D	96.2	Very high	95.6	Very high	95 Å²	95	49.3 Å²	49.3	51%	0.508	24%	0.242	S	C	.	.	H	α-helix	trans	-61.1	-37	-178.7	-78.4	3.3	0	0	0	112.1	F702 R708	F702-D704 PolarHBondContact O-N 2.93Å; D704-R708 VanDerWaalsContact O-CD 3.32Å; D704-R708 WeakPolarHBondContact O-CD 3.45Å; D704-R708 WeakPolarHBondContact O-CG 3.29Å; D704-R708 PolarHBondContact O-N 3.11Å; D704-R708 PolarHBondContact O-NE 2.93Å
705	L	97	Very high	95.4	Very high	22 Å²	22	51.7 Å²	51.7	12%	0.115	27%	0.266	C	S	.	.	H	α-helix	trans	-73.2	-40.8	178	-174.2	63.9	0	0	0	111.1	V668 F702 R703 Q709 L726	V668-L705 HydrophobicContact CG1-CD2 4.11Å; V668-L705 HydrophobicContact CG2-CD2 3.79Å; F702-L705 PolarHBondContact O-N 3.47Å; R703-L705 VanDerWaalsContact C-N 3.26Å; R703-L705 PolarHBondContact O-N 3.48Å; L705-Q709 WeakPolarHBondContact O-CG 3.33Å; L705-Q709 PolarHBondContact O-NE2 3.35Å; L705-L726 HydrophobicContact CD2-CD1 3.81Å; L705-L726 HydrophobicContact CD2-CD2 4.35Å; L705-L726 HydrophobicContact CG-CD1 3.69Å
706	I	97.3	Very high	95.3	Very high	5 Å²	5	52.2 Å²	52.2	3%	0.026	27%	0.273	C	S	.	.	H	α-helix	trans	-61.7	-48.5	175.7	-70.1	164.4	0	0	0	110.7	F702 R703 R708 Q709 L726 A730	F702-I706 HydrophobicContact CB-CD1 3.91Å; F702-I706 HydrophobicContact CB-CG1 4.26Å; F702-I706 WeakPolarHBondContact O-CG1 3.47Å; F702-I706 PolarHBondContact O-N 2.9Å; R703-I706 PolarHBondContact O-N 2.75Å; I706-R708 PolarHBondContact O-N 3.38Å; I706-Q709 WeakPolarHBondContact O-CB 3.37Å; I706-Q709 WeakPolarHBondContact O-CG 3.37Å; I706-Q709 PolarHBondContact O-N 3.17Å; I706-L726 HydrophobicContact CG1-CB 4.3Å; I706-L726 HydrophobicContact CG1-CD2 4.08Å; I706-A730 HydrophobicContact CD1-CB 4.22Å; I706-A730 HydrophobicContact CG2-CB 3.63Å
707	D	95.9	Very high	95.2	Very high	87 Å²	87	51.8 Å²	51.8	47%	0.465	27%	0.266	S	S	.	.	H	α-helix	trans	-69.7	-21.1	-174.3	-73.4	-15.7	0	0	0	112.8	R703 Q709 H735	R703-D707 WeakPolarHBondContact CG-OD2 3.37Å; R703-D707 WeakPolarHBondContact O-CB 3.31Å; R703-D707 PolarHBondContact O-N 2.93Å; D707-Q709 VanDerWaalsContact C-N 3.34Å; D707-H735 IonicContact OD1-CD2 3.73Å; D707-H735 IonicContact OD1-CE1 2.73Å; D707-H735 IonicContact OD1-NE2 3.61Å; D707-H735 PolarHBondContact OD1-NE2 3.27Å
708	R	95.8	Very high	95	Very high	178 Å²	178	50.9 Å²	50.9	67%	0.672	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-11.6	173.2	-71.5	171.5	-163.8	-171.5	7.9	113.7	D704 I706 E710	D704-R708 VanDerWaalsContact O-CD 3.32Å; D704-R708 WeakPolarHBondContact O-CD 3.45Å; D704-R708 WeakPolarHBondContact O-CG 3.29Å; D704-R708 PolarHBondContact O-N 3.11Å; D704-R708 PolarHBondContact O-NE 2.93Å; I706-R708 PolarHBondContact O-N 3.38Å; R708-E710 PolarHBondContact O-N 3.36Å
709	Q	96.8	Very high	94.8	Very high	32 Å²	32	55.9 Å²	55.9	15%	0.15	29%	0.287	C	S	.	.			trans	-68.2	125.8	-176.8	-62.3	-50.6	-54	0	0	111.4	L705 I706 D707 R723 L726 L727	L705-Q709 WeakPolarHBondContact O-CG 3.33Å; L705-Q709 PolarHBondContact O-NE2 3.35Å; I706-Q709 WeakPolarHBondContact O-CB 3.37Å; I706-Q709 WeakPolarHBondContact O-CG 3.37Å; I706-Q709 PolarHBondContact O-N 3.17Å; D707-Q709 VanDerWaalsContact C-N 3.34Å; Q709-R723 HydrophobicContact CB-CG 4.41Å; Q709-L726 HydrophobicContact CG-CB 4.21Å; Q709-L726 HydrophobicContact CG-CD1 3.91Å; Q709-L727 HydrophobicContact CB-CD1 4.4Å; Q709-L727 HydrophobicContact CB-CD2 3.9Å; Q709-L727 HydrophobicContact CB-CG 4.1Å
710	E	95.3	Very high	94.8	Very high	111 Å²	111	57.7 Å²	57.7	52%	0.519	29%	0.293	S	S	.	.			trans	-70.2	150.8	169.2	-60.4	-171.7	166.8	0	0	111	R708 S712 S714 R723	R708-E710 PolarHBondContact O-N 3.36Å; E710-S712 VanDerWaalsContact C-N 3.33Å; E710-S712 WeakPolarHBondContact CB-OG 3.42Å; E710-S712 PolarHBondContact O-N 3.03Å; E710-S712 PolarHBondContact OE2-OG 3.06Å; E710-S714 PolarHBondContact OE2-OG 2.8Å; E710-R723 WeakPolarHBondContact O-CD 3.34Å; E710-R723 PolarHBondContact O-NE 2.83Å
711	W	96.3	Very high	94.8	Very high	60 Å²	60	55 Å²	55	23%	0.227	28%	0.28	C	S	.	.	S	Bend	trans	-97.4	60.7	172.3	-71.4	62.5	0	0	0	109.7	L727 C738 K741 A742 L745 I762 V766	W711-L727 HydrophobicContact CD2-CD1 4.27Å; W711-L727 HydrophobicContact CG-CD1 4.47Å; W711-L727 HydrophobicContact CZ2-CD2 3.93Å; W711-C738 HydrophobicContact CZ2-CB 4.34Å; W711-K741 HydrophobicContact CD2-CB 4.43Å; W711-K741 HydrophobicContact CD2-CG 3.5Å; W711-K741 HydrophobicContact CE3-CB 4.5Å; W711-K741 HydrophobicContact CE3-CG 3.6Å; W711-K741 HydrophobicContact CG-CG 4.15Å; W711-K741 HydrophobicContact CH2-CB 3.91Å; W711-K741 HydrophobicContact CH2-CG 3.9Å; W711-K741 HydrophobicContact CZ2-CB 3.81Å; W711-K741 HydrophobicContact CZ2-CG 3.79Å; W711-K741 HydrophobicContact CZ3-CB 4.26Å; W711-K741 HydrophobicContact CZ3-CG 3.81Å; W711-A742 HydrophobicContact CH2-CB 3.92Å; W711-A742 HydrophobicContact CZ3-CB 4.14Å; W711-L745 HydrophobicContact CE3-CD1 3.52Å; W711-L745 HydrophobicContact CZ3-CD1 3.88Å; W711-I762 HydrophobicContact CB-CD1 4.46Å; W711-I762 HydrophobicContact CB-CG2 4.31Å; W711-I762 HydrophobicContact CD2-CG2 4.46Å; W711-I762 HydrophobicContact CE3-CB 4.14Å; W711-I762 HydrophobicContact CE3-CD1 3.63Å; W711-I762 HydrophobicContact CE3-CG2 4.17Å; W711-I762 HydrophobicContact CZ3-CD1 4.32Å; W711-V766 HydrophobicContact CZ3-CG2 4.23Å
712	S	95.6	Very high	94.7	Very high	29 Å²	29	54.9 Å²	54.9	20%	0.203	28%	0.279	C	S	.	.	S	Bend	trans	-145.6	176.2	-171.5	68.5	0	0	0	0	110.8	E710 S714 R723	E710-S712 VanDerWaalsContact C-N 3.33Å; E710-S712 WeakPolarHBondContact CB-OG 3.42Å; E710-S712 PolarHBondContact O-N 3.03Å; E710-S712 PolarHBondContact OE2-OG 3.06Å; S712-S714 PolarHBondContact OG-OG 3.25Å; S712-R723 VanDerWaalsContact O-CD 3.23Å; S712-R723 WeakPolarHBondContact O-CD 3.25Å; S712-R723 PolarHBondContact O-NE 3.21Å; S712-R723 PolarHBondContact O-NH1 3.2Å
713	D	94.4	Very high	94.6	Very high	56 Å²	56	55.3 Å²	55.3	30%	0.299	28%	0.281	S	S	.	.	S	Bend	trans	-103.1	25.1	173.8	-64.6	-33.3	0	0	0	112.4	R720 P759 V760 D761	D713-R720 WeakPolarHBondContact O-CD 3.5Å; D713-R720 PolarHBondContact O-NE 3.22Å; D713-R720 IonicContact OD1-NH2 2.83Å; D713-P759 WeakPolarHBondContact OD1-CB 3.46Å; D713-P759 VanDerWaalsContact OD2-CA 3.22Å; D713-P759 WeakPolarHBondContact OD2-CA 3.46Å; D713-V760 VanDerWaalsContact CG-N 3.26Å; D713-V760 PolarHBondContact OD1-N 3.17Å; D713-V760 PolarHBondContact OD2-N 2.62Å; D713-D761 WeakPolarHBondContact OD1-CB 3.26Å; D713-D761 PolarHBondContact OD1-N 3.4Å
714	S	93.8	Very high	94.6	Very high	49 Å²	49	52 Å²	52	34%	0.343	27%	0.274	S	S	.	.			trans	-78.3	159.5	-176.7	67.9	0	0	0	0	112.4	E710 S712 R720 R723	E710-S714 PolarHBondContact OE2-OG 2.8Å; S712-S714 PolarHBondContact OG-OG 3.25Å; S714-R720 VanDerWaalsContact O-CG 3.31Å; S714-R720 WeakPolarHBondContact O-CG 3.37Å; S714-R723 VanDerWaalsContact O-CZ 3.27Å; S714-R723 PolarHBondContact O-NH1 2.76Å; S714-R723 PolarHBondContact O-NH2 3.42Å; S714-R723 PolarHBondContact OG-NH2 2.93Å
715	G	92.6	Very high	94.5	Very high	50 Å²	50	51.8 Å²	51.8	52%	0.515	27%	0.267	S	S	.	.	S	Bend	trans	92.7	-179	173.1	0	0	0	0	0	115	E719	G715-E719 WeakPolarHBondContact CA-OE2 3.4Å
716	S	91.6	Very high	94.4	Very high	40 Å²	40	50.7 Å²	50.7	28%	0.28	26%	0.261	S	S	.	.			trans	-65.9	165.9	175.6	61.6	0	0	0	0	112.4	S718 E719 R720	S716-S718 VanDerWaalsContact C-N 3.32Å; S716-S718 PolarHBondContact O-N 2.96Å; S716-E719 WeakPolarHBondContact CB-OE2 3.34Å; S716-E719 PolarHBondContact N-OE2 2.98Å; S716-E719 PolarHBondContact O-N 3.09Å; S716-E719 VanDerWaalsContact OG-CD 3.32Å; S716-E719 VanDerWaalsContact OG-CG 3.26Å; S716-E719 WeakPolarHBondContact OG-CG 3.36Å; S716-E719 PolarHBondContact OG-N 2.89Å; S716-E719 PolarHBondContact OG-OE2 3.03Å; S716-R720 WeakPolarHBondContact O-CB 3.33Å; S716-R720 VanDerWaalsContact O-CG 3.25Å; S716-R720 WeakPolarHBondContact O-CG 3.47Å; S716-R720 PolarHBondContact O-N 3.07Å
717	V	91.4	Very high	94.4	Very high	17 Å²	17	50.6 Å²	50.6	10%	0.103	26%	0.261	C	S	.	.	H	α-helix	trans	-55.8	-46.9	176.5	174.8	0	0	0	0	111.3	A331 L335 L384 E719 R720 V721	A331-V717 HydrophobicContact CB-CG1 4.33Å; A331-V717 HydrophobicContact CB-CG2 4.47Å; L335-V717 HydrophobicContact CD2-CG1 4.5Å; L384-V717 HydrophobicContact CD2-CG2 3.8Å; V717-E719 PolarHBondContact O-N 3.4Å; V717-R720 PolarHBondContact O-N 3.32Å; V717-V721 HydrophobicContact CG1-CG2 4.25Å; V717-V721 VanDerWaalsContact O-CG2 3.29Å; V717-V721 WeakPolarHBondContact O-CG2 3.46Å; V717-V721 PolarHBondContact O-N 3.05Å
718	S	90.9	Very high	94.4	Very high	12 Å²	12	48.6 Å²	48.6	8%	0.084	25%	0.25	C	C	.	.	H	α-helix	trans	-60.3	-43.2	178.3	-55.8	0	0	0	0	112.2	D388 S716 L722	D388-S718 PolarHBondContact OD2-OG 3.38Å; S716-S718 VanDerWaalsContact C-N 3.32Å; S716-S718 PolarHBondContact O-N 2.96Å; S718-L722 VanDerWaalsContact O-CB 3.23Å; S718-L722 WeakPolarHBondContact O-CB 3.32Å; S718-L722 PolarHBondContact O-N 3.43Å
719	E	93.5	Very high	94.4	Very high	105 Å²	105	40.8 Å²	40.8	49%	0.491	22%	0.221	S	C	.	.	H	α-helix	trans	-64.8	-41.7	176.1	-71.8	166.2	137.1	0	0	112.3	G715 S716 V717 L722 R723	G715-E719 WeakPolarHBondContact CA-OE2 3.4Å; S716-E719 WeakPolarHBondContact CB-OE2 3.34Å; S716-E719 PolarHBondContact N-OE2 2.98Å; S716-E719 PolarHBondContact O-N 3.09Å; S716-E719 VanDerWaalsContact OG-CD 3.32Å; S716-E719 VanDerWaalsContact OG-CG 3.26Å; S716-E719 WeakPolarHBondContact OG-CG 3.36Å; S716-E719 PolarHBondContact OG-N 2.89Å; S716-E719 PolarHBondContact OG-OE2 3.03Å; V717-E719 PolarHBondContact O-N 3.4Å; E719-L722 PolarHBondContact O-N 3.48Å; E719-R723 VanDerWaalsContact O-CB 3.31Å; E719-R723 WeakPolarHBondContact O-CB 3.47Å; E719-R723 PolarHBondContact O-N 3.43Å
720	R	94.6	Very high	94.3	Very high	50 Å²	50	39.2 Å²	39.2	19%	0.189	21%	0.213	C	C	.	.	H	α-helix	trans	-65.4	-44.2	178.6	-71.5	-175.3	65.2	-179.2	-2	112.5	A331 D713 S714 S716 V717 R723 S724 D761	A331-R720 HydrophobicContact CB-CB 4Å; D713-R720 WeakPolarHBondContact O-CD 3.5Å; D713-R720 PolarHBondContact O-NE 3.22Å; D713-R720 IonicContact OD1-NH2 2.83Å; S714-R720 VanDerWaalsContact O-CG 3.31Å; S714-R720 WeakPolarHBondContact O-CG 3.37Å; S716-R720 WeakPolarHBondContact O-CB 3.33Å; S716-R720 VanDerWaalsContact O-CG 3.25Å; S716-R720 WeakPolarHBondContact O-CG 3.47Å; S716-R720 PolarHBondContact O-N 3.07Å; V717-R720 PolarHBondContact O-N 3.32Å; R720-R723 PolarHBondContact O-N 3Å; R720-S724 PolarHBondContact O-N 3.27Å; R720-D761 WeakPolarHBondContact CB-OD2 3.26Å; R720-D761 WeakPolarHBondContact CG-OD2 3.34Å; R720-D761 IonicContact CZ-OD1 3.73Å; R720-D761 IonicContact CZ-OD2 3.54Å; R720-D761 IonicContact NE-OD1 3.97Å; R720-D761 PolarHBondContact NE-OD1 2.9Å; R720-D761 IonicContact NE-OD2 2.79Å; R720-D761 PolarHBondContact NE-OD2 3.06Å; R720-D761 IonicContact NH2-OD1 3.38Å; R720-D761 PolarHBondContact NH2-OD1 3.17Å; R720-D761 IonicContact NH2-OD2 2.71Å
721	V	92.8	Very high	94.3	Very high	32 Å²	32	34 Å²	34	19%	0.194	19%	0.189	C	C	.	.	H	α-helix	trans	-63.3	-46.9	175.6	172.9	0	0	0	0	110.3	F389 I665 V717 R723 S724 Y725	F389-V721 HydrophobicContact CE1-CG1 4.31Å; I665-V721 HydrophobicContact CD1-CB 3.99Å; I665-V721 HydrophobicContact CD1-CG1 3.83Å; V717-V721 HydrophobicContact CG1-CG2 4.25Å; V717-V721 VanDerWaalsContact O-CG2 3.29Å; V717-V721 WeakPolarHBondContact O-CG2 3.46Å; V717-V721 PolarHBondContact O-N 3.05Å; V721-R723 PolarHBondContact O-N 3.34Å; V721-S724 PolarHBondContact O-N 3.32Å; V721-Y725 PolarHBondContact O-N 3.45Å
722	L	94.1	Very high	94.1	Very high	11 Å²	11	32.8 Å²	32.8	6%	0.058	19%	0.188	C	C	.	.	H	α-helix	trans	-61.3	-43.3	178.2	-177.9	59.6	0	0	0	111.8	I665 V668 S718 E719 Y725 L726	I665-L722 HydrophobicContact CD1-CB 4.38Å; I665-L722 HydrophobicContact CG1-CB 4.24Å; I665-L722 HydrophobicContact CG1-CD1 4.48Å; V668-L722 HydrophobicContact CB-CD1 4.09Å; V668-L722 HydrophobicContact CG1-CD1 3.74Å; S718-L722 VanDerWaalsContact O-CB 3.23Å; S718-L722 WeakPolarHBondContact O-CB 3.32Å; S718-L722 PolarHBondContact O-N 3.43Å; E719-L722 PolarHBondContact O-N 3.48Å; L722-Y725 PolarHBondContact O-N 3.03Å; L722-L726 HydrophobicContact CD1-CD1 3.88Å; L722-L726 HydrophobicContact CD1-CD2 4.49Å; L722-L726 HydrophobicContact CD1-CG 3.92Å; L722-L726 HydrophobicContact CD2-CD1 4.4Å; L722-L726 HydrophobicContact CG-CD1 3.73Å; L722-L726 HydrophobicContact CG-CG 4.23Å; L722-L726 WeakPolarHBondContact O-CB 3.3Å; L722-L726 VanDerWaalsContact O-CG 3.29Å; L722-L726 WeakPolarHBondContact O-CG 3.17Å; L722-L726 PolarHBondContact O-N 3.09Å
723	R	96.1	Very high	94	Very high	12 Å²	12	33 Å²	33	5%	0.045	19%	0.185	C	C	.	.	H	α-helix	trans	-56.3	-52.3	174.5	175.3	-169.7	-62.7	120.8	7.7	111.8	Q709 E710 S712 S714 E719 R720 V721 Y725 L726 L727 D761	Q709-R723 HydrophobicContact CB-CG 4.41Å; E710-R723 WeakPolarHBondContact O-CD 3.34Å; E710-R723 PolarHBondContact O-NE 2.83Å; S712-R723 VanDerWaalsContact O-CD 3.23Å; S712-R723 WeakPolarHBondContact O-CD 3.25Å; S712-R723 PolarHBondContact O-NE 3.21Å; S712-R723 PolarHBondContact O-NH1 3.2Å; S714-R723 VanDerWaalsContact O-CZ 3.27Å; S714-R723 PolarHBondContact O-NH1 2.76Å; S714-R723 PolarHBondContact O-NH2 3.42Å; S714-R723 PolarHBondContact OG-NH2 2.93Å; E719-R723 VanDerWaalsContact O-CB 3.31Å; E719-R723 WeakPolarHBondContact O-CB 3.47Å; E719-R723 PolarHBondContact O-N 3.43Å; R720-R723 PolarHBondContact O-N 3Å; V721-R723 PolarHBondContact O-N 3.34Å; R723-Y725 VanDerWaalsContact C-N 3.26Å; R723-Y725 PolarHBondContact O-N 2.81Å; R723-L726 PolarHBondContact O-N 2.95Å; R723-L727 HydrophobicContact CG-CD1 3.73Å; R723-L727 HydrophobicContact CG-CG 4.35Å; R723-L727 WeakPolarHBondContact O-CB 3.22Å; R723-L727 WeakPolarHBondContact O-CG 3.41Å; R723-L727 PolarHBondContact O-N 3.06Å; R723-D761 IonicContact NH1-OD2 3.2Å; R723-D761 PolarHBondContact NH1-OD2 2.83Å
724	S	94.8	Very high	93.8	Very high	39 Å²	39	33 Å²	33	27%	0.273	18%	0.184	S	C	.	.	H	α-helix	trans	-55.8	-44.9	179.2	174	0	0	0	0	110.8	R720 V721 L728 D761	R720-S724 PolarHBondContact O-N 3.27Å; V721-S724 PolarHBondContact O-N 3.32Å; S724-L728 WeakPolarHBondContact O-CB 3.5Å; S724-L728 PolarHBondContact O-N 2.95Å; S724-D761 WeakPolarHBondContact CA-O 3.48Å; S724-D761 VanDerWaalsContact CB-O 3.24Å; S724-D761 WeakPolarHBondContact CB-O 3.4Å; S724-D761 PolarHBondContact OG-O 3.33Å
725	Y	93.4	Very high	93.8	Very high	90 Å²	90	31.5 Å²	31.5	35%	0.353	17%	0.172	S	C	.	.	H	α-helix	trans	-66	-50.1	-179.7	-168.5	-96.5	0	0	0	112.7	F672 V721 L722 R723 L728 F729	F672-Y725 HydrophobicContact CB-CE1 3.76Å; F672-Y725 WeakPolarHBondContact CB-OH 3.34Å; F672-Y725 HydrophobicContact CD1-CE1 4.04Å; F672-Y725 HydrophobicContact CD2-CD1 4.26Å; F672-Y725 AromaticContact CD2-CE1 3.65Å; F672-Y725 HydrophobicContact CD2-CE1 3.65Å; F672-Y725 HydrophobicContact CE2-CE1 4.23Å; F672-Y725 AromaticContact CG-CE1 3.56Å; F672-Y725 HydrophobicContact CG-CE1 3.56Å; V721-Y725 PolarHBondContact O-N 3.45Å; L722-Y725 PolarHBondContact O-N 3.03Å; R723-Y725 VanDerWaalsContact C-N 3.26Å; R723-Y725 PolarHBondContact O-N 2.81Å; Y725-L728 PolarHBondContact O-N 3.27Å; Y725-F729 WeakPolarHBondContact O-CB 3.27Å; Y725-F729 PolarHBondContact O-N 3.2Å
726	L	96.5	Very high	93.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.2	-45.2	-178.9	-72.3	172	0	0	0	112.5	V668 F672 L705 I706 Q709 L722 R723 F729 A730	V668-L726 HydrophobicContact CG1-CD2 4.29Å; F672-L726 HydrophobicContact CE2-CD2 3.65Å; F672-L726 HydrophobicContact CZ-CD2 3.88Å; L705-L726 HydrophobicContact CD2-CD1 3.81Å; L705-L726 HydrophobicContact CD2-CD2 4.35Å; L705-L726 HydrophobicContact CG-CD1 3.69Å; I706-L726 HydrophobicContact CG1-CB 4.3Å; I706-L726 HydrophobicContact CG1-CD2 4.08Å; Q709-L726 HydrophobicContact CG-CB 4.21Å; Q709-L726 HydrophobicContact CG-CD1 3.91Å; L722-L726 HydrophobicContact CD1-CD1 3.88Å; L722-L726 HydrophobicContact CD1-CD2 4.49Å; L722-L726 HydrophobicContact CD1-CG 3.92Å; L722-L726 HydrophobicContact CD2-CD1 4.4Å; L722-L726 HydrophobicContact CG-CD1 3.73Å; L722-L726 HydrophobicContact CG-CG 4.23Å; L722-L726 WeakPolarHBondContact O-CB 3.3Å; L722-L726 VanDerWaalsContact O-CG 3.29Å; L722-L726 WeakPolarHBondContact O-CG 3.17Å; L722-L726 PolarHBondContact O-N 3.09Å; R723-L726 PolarHBondContact O-N 2.95Å; L726-F729 PolarHBondContact O-N 3.31Å; L726-A730 VanDerWaalsContact O-CB 3.3Å; L726-A730 WeakPolarHBondContact O-CB 3.17Å; L726-A730 PolarHBondContact O-N 3.4Å
727	L	96.8	Very high	94.1	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.016	19%	0.187	C	C	.	.	H	α-helix	trans	-68.5	-40.4	179.5	-68.3	178.8	0	0	0	111.4	Q709 W711 R723 A730 C731 C738 I762 A765	Q709-L727 HydrophobicContact CB-CD1 4.4Å; Q709-L727 HydrophobicContact CB-CD2 3.9Å; Q709-L727 HydrophobicContact CB-CG 4.1Å; W711-L727 HydrophobicContact CD2-CD1 4.27Å; W711-L727 HydrophobicContact CG-CD1 4.47Å; W711-L727 HydrophobicContact CZ2-CD2 3.93Å; R723-L727 HydrophobicContact CG-CD1 3.73Å; R723-L727 HydrophobicContact CG-CG 4.35Å; R723-L727 WeakPolarHBondContact O-CB 3.22Å; R723-L727 WeakPolarHBondContact O-CG 3.41Å; R723-L727 PolarHBondContact O-N 3.06Å; L727-A730 PolarHBondContact O-N 3.13Å; L727-C731 VanDerWaalsContact O-CB 3.3Å; L727-C731 WeakPolarHBondContact O-CB 3.23Å; L727-C731 PolarHBondContact O-N 3.34Å; L727-C738 PolarHBondContact O-SG 3.31Å; L727-I762 HydrophobicContact CD1-CG2 3.72Å; L727-A765 HydrophobicContact CB-CB 4.5Å
728	L	95.3	Very high	94.3	Very high	44 Å²	44	34.7 Å²	34.7	23%	0.23	18%	0.183	C	C	.	.	H	α-helix	trans	-59.6	-49.5	173.5	176.1	60.2	0	0	0	110.8	S724 Y725 C731 V732 M764 V768	S724-L728 WeakPolarHBondContact O-CB 3.5Å; S724-L728 PolarHBondContact O-N 2.95Å; Y725-L728 PolarHBondContact O-N 3.27Å; L728-C731 PolarHBondContact O-N 2.88Å; L728-V732 HydrophobicContact CD1-CG2 3.81Å; L728-V732 HydrophobicContact CG-CG2 4.4Å; L728-V732 WeakPolarHBondContact O-CB 3.37Å; L728-V732 VanDerWaalsContact O-CG2 3.25Å; L728-V732 WeakPolarHBondContact O-CG2 3.46Å; L728-V732 PolarHBondContact O-N 3.3Å; L728-M764 HydrophobicContact CD1-CG 4.08Å; L728-M764 HydrophobicContact CD2-CG 3.93Å; L728-V768 HydrophobicContact CD1-CB 4.3Å; L728-V768 HydrophobicContact CD1-CG2 3.96Å
729	F	94.9	Very high	94.6	Very high	14 Å²	14	35.7 Å²	35.7	6%	0.061	19%	0.189	C	C	.	.	H	α-helix	trans	-56.9	-52.8	177.7	177.6	-93.1	0	0	0	111.3	F672 V676 I698 V699 Y725 L726 C731 V732 R733	F672-F729 AromaticContact CD1-CD2 3.97Å; F672-F729 HydrophobicContact CD1-CD2 3.97Å; F672-F729 HydrophobicContact CD1-CE2 4Å; F672-F729 HydrophobicContact CD1-CG 4.29Å; F672-F729 HydrophobicContact CD1-CZ 4.34Å; F672-F729 HydrophobicContact CE1-CB 4.34Å; F672-F729 AromaticContact CE1-CD1 3.51Å; F672-F729 HydrophobicContact CE1-CD1 3.51Å; F672-F729 AromaticContact CE1-CD2 3.62Å; F672-F729 HydrophobicContact CE1-CD2 3.62Å; F672-F729 AromaticContact CE1-CE1 3.6Å; F672-F729 HydrophobicContact CE1-CE1 3.6Å; F672-F729 AromaticContact CE1-CE2 3.7Å; F672-F729 HydrophobicContact CE1-CE2 3.7Å; F672-F729 AromaticContact CE1-CG 3.53Å; F672-F729 HydrophobicContact CE1-CG 3.53Å; F672-F729 AromaticContact CE1-CZ 3.69Å; F672-F729 HydrophobicContact CE1-CZ 3.69Å; F672-F729 AromaticContact CZ-CD1 3.98Å; F672-F729 HydrophobicContact CZ-CD1 3.98Å; F672-F729 HydrophobicContact CZ-CE1 4.27Å; F672-F729 HydrophobicContact CZ-CG 4.2Å; V676-F729 HydrophobicContact CG2-CD2 4.49Å; V676-F729 HydrophobicContact CG2-CE2 3.95Å; I698-F729 HydrophobicContact CB-CE1 4.47Å; I698-F729 HydrophobicContact CB-CZ 3.94Å; I698-F729 HydrophobicContact CG2-CE1 3.8Å; I698-F729 HydrophobicContact CG2-CE2 4.22Å; I698-F729 HydrophobicContact CG2-CZ 3.37Å; V699-F729 HydrophobicContact CG2-CE1 3.8Å; V699-F729 HydrophobicContact CG2-CZ 4.44Å; Y725-F729 WeakPolarHBondContact O-CB 3.27Å; Y725-F729 PolarHBondContact O-N 3.2Å; L726-F729 PolarHBondContact O-N 3.31Å; F729-C731 VanDerWaalsContact C-N 3.34Å; F729-C731 PolarHBondContact O-N 3.48Å; F729-V732 PolarHBondContact O-N 2.99Å; F729-R733 HydrophobicContact CD1-CG 4.25Å; F729-R733 HydrophobicContact CD2-CG 4.2Å; F729-R733 HydrophobicContact CE1-CG 3.89Å; F729-R733 HydrophobicContact CE2-CG 3.83Å; F729-R733 HydrophobicContact CG-CG 4.39Å; F729-R733 HydrophobicContact CZ-CG 3.66Å; F729-R733 WeakPolarHBondContact O-CB 3.01Å; F729-R733 WeakPolarHBondContact O-CG 3.43Å; F729-R733 PolarHBondContact O-N 3.43Å
730	A	95.8	Very high	94.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-58.6	-43.8	-178.5	0	0	0	0	0	112.2	I706 L726 L727 R733 N734 H735 C738	I706-A730 HydrophobicContact CD1-CB 4.22Å; I706-A730 HydrophobicContact CG2-CB 3.63Å; L726-A730 VanDerWaalsContact O-CB 3.3Å; L726-A730 WeakPolarHBondContact O-CB 3.17Å; L726-A730 PolarHBondContact O-N 3.4Å; L727-A730 PolarHBondContact O-N 3.13Å; A730-R733 CarbonylContact O-C 3.6Å; A730-R733 PolarHBondContact O-N 3.02Å; A730-N734 PolarHBondContact O-N 3.2Å; A730-H735 HydrophobicContact CB-CB 3.94Å; A730-H735 VanDerWaalsContact O-CB 3.28Å; A730-H735 WeakPolarHBondContact O-CB 3.18Å; A730-H735 PolarHBondContact O-N 3.42Å; A730-C738 HydrophobicContact CB-CB 4.08Å
731	C	95.1	Very high	95	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-68.6	-41.1	178.6	-84.4	0	0	0	0	112.3	L727 L728 F729 R733 N734 C738 A765 I769 R772	L727-C731 VanDerWaalsContact O-CB 3.3Å; L727-C731 WeakPolarHBondContact O-CB 3.23Å; L727-C731 PolarHBondContact O-N 3.34Å; L728-C731 PolarHBondContact O-N 2.88Å; F729-C731 VanDerWaalsContact C-N 3.34Å; F729-C731 PolarHBondContact O-N 3.48Å; C731-R733 PolarHBondContact O-N 2.84Å; C731-N734 PolarHBondContact O-N 2.88Å; C731-C738 VanDerWaalsContact CA-SG 3.53Å; C731-C738 HydrophobicContact CB-CB 4.21Å; C731-C738 WeakPolarHBondContact CB-SG 3.34Å; C731-C738 PolarHBondContact N-SG 2.91Å; C731-C738 WeakPolarHBondContact SG-CB 3.29Å; C731-C738 PolarHBondContact SG-O 3.05Å; C731-C738 VanDerWaalsContact SG-O 3.34Å; C731-C738 CovalentContact SG-SG 2.06Å; C731-C738 PolarHBondContact SG-SG 2.92Å; C731-A765 HydrophobicContact CB-CB 4.37Å; C731-I769 HydrophobicContact CB-CD1 4.09Å; C731-I769 HydrophobicContact CB-CG1 4.08Å; C731-R772 PolarHBondContact O-NH2 3.34Å
732	V	92.3	Very high	95.2	Very high	35 Å²	35	34 Å²	34	21%	0.212	19%	0.19	C	C	.	.	H	α-helix	trans	-64.6	-28.2	175	169.5	0	0	0	0	111.7	L728 F729 N734 V768	L728-V732 HydrophobicContact CD1-CG2 3.81Å; L728-V732 HydrophobicContact CG-CG2 4.4Å; L728-V732 WeakPolarHBondContact O-CB 3.37Å; L728-V732 VanDerWaalsContact O-CG2 3.25Å; L728-V732 WeakPolarHBondContact O-CG2 3.46Å; L728-V732 PolarHBondContact O-N 3.3Å; F729-V732 PolarHBondContact O-N 2.99Å; V732-N734 VanDerWaalsContact C-N 3.35Å; V732-V768 HydrophobicContact CG2-CG1 3.8Å
733	R	92.4	Very high	95.4	Very high	35 Å²	35	35.9 Å²	35.9	13%	0.132	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	18.2	177	-58.7	-68.4	156.7	-117.9	2.5	114	Y679 E683 V699 F729 A730 C731 H735	Y679-R733 VanDerWaalsContact CZ-NH2 3.29Å; Y679-R733 VanDerWaalsContact OH-CZ 3.31Å; Y679-R733 PolarHBondContact OH-NE 3.39Å; Y679-R733 VanDerWaalsContact OH-NE 3.11Å; Y679-R733 PolarHBondContact OH-NH2 3.02Å; E683-R733 IonicContact OE1-NH1 2.81Å; E683-R733 IonicContact OE1-NH2 3.52Å; V699-R733 HydrophobicContact CG2-CB 3.67Å; V699-R733 HydrophobicContact CG2-CG 4.27Å; F729-R733 HydrophobicContact CD1-CG 4.25Å; F729-R733 HydrophobicContact CD2-CG 4.2Å; F729-R733 HydrophobicContact CE1-CG 3.89Å; F729-R733 HydrophobicContact CE2-CG 3.83Å; F729-R733 HydrophobicContact CG-CG 4.39Å; F729-R733 HydrophobicContact CZ-CG 3.66Å; F729-R733 WeakPolarHBondContact O-CB 3.01Å; F729-R733 WeakPolarHBondContact O-CG 3.43Å; F729-R733 PolarHBondContact O-N 3.43Å; A730-R733 CarbonylContact O-C 3.6Å; A730-R733 PolarHBondContact O-N 3.02Å; C731-R733 PolarHBondContact O-N 2.84Å; R733-H735 PolarHBondContact O-N 2.92Å
734	N	91.2	Very high	95.5	Very high	54 Å²	54	41 Å²	41	29%	0.289	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	28.4	174.4	-62.3	-30.6	0	0	0	114.8	A730 C731 V732 P736 R772 L941	A730-N734 PolarHBondContact O-N 3.2Å; C731-N734 PolarHBondContact O-N 2.88Å; V732-N734 VanDerWaalsContact C-N 3.35Å; N734-P736 VanDerWaalsContact O-CD 3.23Å; N734-P736 WeakPolarHBondContact O-CD 3.3Å; N734-P736 VanDerWaalsContact O-N 3.12Å; N734-R772 PolarHBondContact OD1-NH1 3.47Å; N734-R772 PolarHBondContact OD1-NH2 3.03Å; N734-L941 HydrophobicContact CB-CD2 3.74Å
735	H	94.6	Very high	95.7	Very high	19 Å²	19	40.2 Å²	40.2	9%	0.088	22%	0.217	C	C	.	.			trans	-59.3	114.2	171.4	-177	46.3	0	0	0	109.7	D707 A730 R733 C738 V739	D707-H735 IonicContact OD1-CD2 3.73Å; D707-H735 IonicContact OD1-CE1 2.73Å; D707-H735 IonicContact OD1-NE2 3.61Å; D707-H735 PolarHBondContact OD1-NE2 3.27Å; A730-H735 HydrophobicContact CB-CB 3.94Å; A730-H735 VanDerWaalsContact O-CB 3.28Å; A730-H735 WeakPolarHBondContact O-CB 3.18Å; A730-H735 PolarHBondContact O-N 3.42Å; R733-H735 PolarHBondContact O-N 2.92Å; H735-C738 HydrophobicContact CB-CB 4.22Å; H735-C738 WeakPolarHBondContact O-CB 3.35Å; H735-C738 PolarHBondContact O-N 3.23Å; H735-V739 PolarHBondContact O-N 3.35Å
736	P	94.6	Very high	95.9	Very high	95 Å²	95	36.2 Å²	36.2	62%	0.617	20%	0.202	S	C	*	.	H	α-helix	trans	-57.5	-42.9	-165.3	-25.4	32.9	0	0	0	115.2	N734 C738 V739 A740	N734-P736 VanDerWaalsContact O-CD 3.23Å; N734-P736 WeakPolarHBondContact O-CD 3.3Å; N734-P736 VanDerWaalsContact O-N 3.12Å; P736-C738 VanDerWaalsContact C-N 3.31Å; P736-C738 PolarHBondContact O-N 2.68Å; P736-V739 PolarHBondContact O-N 2.91Å; P736-A740 VanDerWaalsContact O-CB 3.3Å; P736-A740 WeakPolarHBondContact O-CB 3.44Å; P736-A740 PolarHBondContact O-N 3.41Å
737	P	95.2	Very high	96	Very high	75 Å²	75	39.5 Å²	39.5	49%	0.487	22%	0.219	S	C	.	.	H	α-helix	trans	-59.5	-40.2	175.4	-24	34.9	0	0	0	112.9	K741	P737-K741 WeakPolarHBondContact O-CB 3.24Å; P737-K741 PolarHBondContact O-N 2.79Å; P737-K741 VanDerWaalsContact O-N 3.16Å
738	C	96.2	Very high	96.1	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.02	24%	0.237	C	C	.	.	H	α-helix	trans	-66.2	-51.3	179.2	-166.2	0	0	0	0	111	W711 L727 A730 C731 H735 P736 A740 K741 A742	W711-C738 HydrophobicContact CZ2-CB 4.34Å; L727-C738 PolarHBondContact O-SG 3.31Å; A730-C738 HydrophobicContact CB-CB 4.08Å; C731-C738 VanDerWaalsContact CA-SG 3.53Å; C731-C738 HydrophobicContact CB-CB 4.21Å; C731-C738 WeakPolarHBondContact CB-SG 3.34Å; C731-C738 PolarHBondContact N-SG 2.91Å; C731-C738 WeakPolarHBondContact SG-CB 3.29Å; C731-C738 PolarHBondContact SG-O 3.05Å; C731-C738 VanDerWaalsContact SG-O 3.34Å; C731-C738 CovalentContact SG-SG 2.06Å; C731-C738 PolarHBondContact SG-SG 2.92Å; H735-C738 HydrophobicContact CB-CB 4.22Å; H735-C738 WeakPolarHBondContact O-CB 3.35Å; H735-C738 PolarHBondContact O-N 3.23Å; P736-C738 VanDerWaalsContact C-N 3.31Å; P736-C738 PolarHBondContact O-N 2.68Å; C738-A740 PolarHBondContact O-N 3.03Å; C738-K741 PolarHBondContact O-N 2.86Å; C738-A742 WeakPolarHBondContact O-CB 3.36Å; C738-A742 PolarHBondContact O-N 2.06Å
739	V	96.9	Very high	96.2	Very high	34 Å²	34	41.8 Å²	41.8	21%	0.206	23%	0.228	C	C	.	.	H	α-helix	trans	-61.7	-43.9	-178	176.8	0	0	0	0	111.3	H735 P736 K741 A742 T743 I769	H735-V739 PolarHBondContact O-N 3.35Å; P736-V739 PolarHBondContact O-N 2.91Å; V739-K741 VanDerWaalsContact C-N 3.33Å; V739-K741 PolarHBondContact O-N 2.81Å; V739-A742 PolarHBondContact O-N 3.32Å; V739-T743 VanDerWaalsContact O-CB 3.24Å; V739-T743 WeakPolarHBondContact O-CB 3.3Å; V739-T743 PolarHBondContact O-N 3.23Å; V739-T743 PolarHBondContact O-OG1 2.93Å; V739-I769 HydrophobicContact CG2-CD1 4.27Å
740	A	97.8	Very high	96.3	Very high	65 Å²	65	44.4 Å²	44.4	54%	0.537	24%	0.24	S	C	.	.	H	α-helix	trans	-60.9	-43.6	178.7	0	0	0	0	0	111.4	P736 C738 K744	P736-A740 VanDerWaalsContact O-CB 3.3Å; P736-A740 WeakPolarHBondContact O-CB 3.44Å; P736-A740 PolarHBondContact O-N 3.41Å; C738-A740 PolarHBondContact O-N 3.03Å; A740-K744 WeakPolarHBondContact O-CB 3.31Å; A740-K744 PolarHBondContact O-N 3.34Å; A740-K744 VanDerWaalsContact O-N 3.1Å
741	K	97.9	Very high	96.4	Very high	85 Å²	85	50.4 Å²	50.4	37%	0.37	27%	0.272	S	S	.	.	H	α-helix	trans	-69.2	-47	179.1	-175.3	64.2	173	-172.7	0	112.2	W711 P737 C738 V739 K744 L745	W711-K741 HydrophobicContact CD2-CB 4.43Å; W711-K741 HydrophobicContact CD2-CG 3.5Å; W711-K741 HydrophobicContact CE3-CB 4.5Å; W711-K741 HydrophobicContact CE3-CG 3.6Å; W711-K741 HydrophobicContact CG-CG 4.15Å; W711-K741 HydrophobicContact CH2-CB 3.91Å; W711-K741 HydrophobicContact CH2-CG 3.9Å; W711-K741 HydrophobicContact CZ2-CB 3.81Å; W711-K741 HydrophobicContact CZ2-CG 3.79Å; W711-K741 HydrophobicContact CZ3-CB 4.26Å; W711-K741 HydrophobicContact CZ3-CG 3.81Å; P737-K741 WeakPolarHBondContact O-CB 3.24Å; P737-K741 PolarHBondContact O-N 2.79Å; P737-K741 VanDerWaalsContact O-N 3.16Å; C738-K741 PolarHBondContact O-N 2.86Å; V739-K741 VanDerWaalsContact C-N 3.33Å; V739-K741 PolarHBondContact O-N 2.81Å; K741-K744 PolarHBondContact O-N 2.97Å; K741-L745 HydrophobicContact CD-CD1 4.44Å; K741-L745 HydrophobicContact CG-CD1 4.24Å; K741-L745 WeakPolarHBondContact O-CG 3.33Å; K741-L745 PolarHBondContact O-N 3.48Å
742	A	98.1	Very high	96.5	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-61.2	-44.7	177.3	0	0	0	0	0	112	W711 C738 V739 K744 L745 F746 I769	W711-A742 HydrophobicContact CH2-CB 3.92Å; W711-A742 HydrophobicContact CZ3-CB 4.14Å; C738-A742 WeakPolarHBondContact O-CB 3.36Å; C738-A742 PolarHBondContact O-N 2.06Å; V739-A742 PolarHBondContact O-N 3.32Å; A742-K744 PolarHBondContact O-N 3.41Å; A742-L745 PolarHBondContact O-N 3.22Å; A742-F746 WeakPolarHBondContact O-CB 3.38Å; A742-F746 PolarHBondContact O-N 3.48Å; A742-I769 HydrophobicContact CB-CB 4.03Å; A742-I769 HydrophobicContact CB-CG1 3.7Å; A742-I769 HydrophobicContact CB-CG2 4.32Å
743	T	98.2	Very high	96.6	Very high	51 Å²	51	55 Å²	55	31%	0.313	30%	0.298	S	S	.	.	H	α-helix	trans	-58.5	-47.5	175.9	-57.9	0	0	0	0	111.3	V739 L745 F746 N747 I769	V739-T743 VanDerWaalsContact O-CB 3.24Å; V739-T743 WeakPolarHBondContact O-CB 3.3Å; V739-T743 PolarHBondContact O-N 3.23Å; V739-T743 PolarHBondContact O-OG1 2.93Å; T743-L745 PolarHBondContact O-N 3.26Å; T743-F746 PolarHBondContact O-N 3.37Å; T743-N747 WeakPolarHBondContact O-CB 3.37Å; T743-N747 PolarHBondContact O-N 3.37Å; T743-N747 PolarHBondContact O-ND2 3.14Å; T743-I769 WeakPolarHBondContact OG1-CG2 3.32Å
744	K	98.3	Very high	96.6	Very high	121 Å²	121	54 Å²	54	53%	0.526	30%	0.298	S	S	.	.	H	α-helix	trans	-58.5	-47.9	177.7	179.1	179.9	176.5	177.6	0	111.4	A740 K741 A742 N747 Q748	A740-K744 WeakPolarHBondContact O-CB 3.31Å; A740-K744 PolarHBondContact O-N 3.34Å; A740-K744 VanDerWaalsContact O-N 3.1Å; K741-K744 PolarHBondContact O-N 2.97Å; A742-K744 PolarHBondContact O-N 3.41Å; K744-N747 PolarHBondContact O-N 3.17Å; K744-Q748 VanDerWaalsContact O-CG 3.28Å; K744-Q748 WeakPolarHBondContact O-CG 3.32Å; K744-Q748 PolarHBondContact O-N 3.29Å
745	L	98.3	Very high	96.6	Very high	21 Å²	21	56.5 Å²	56.5	11%	0.11	32%	0.316	C	S	.	.	H	α-helix	trans	-66.3	-40.5	-179.2	-71.8	173.3	0	0	0	112.2	W711 K741 A742 T743 Q748 W749 L758 I762 V766	W711-L745 HydrophobicContact CE3-CD1 3.52Å; W711-L745 HydrophobicContact CZ3-CD1 3.88Å; K741-L745 HydrophobicContact CD-CD1 4.44Å; K741-L745 HydrophobicContact CG-CD1 4.24Å; K741-L745 WeakPolarHBondContact O-CG 3.33Å; K741-L745 PolarHBondContact O-N 3.48Å; A742-L745 PolarHBondContact O-N 3.22Å; T743-L745 PolarHBondContact O-N 3.26Å; L745-Q748 PolarHBondContact O-N 3.31Å; L745-W749 VanDerWaalsContact O-CB 3.3Å; L745-W749 WeakPolarHBondContact O-CB 3.47Å; L745-W749 PolarHBondContact O-N 2.93Å; L745-L758 HydrophobicContact CB-CD2 4.12Å; L745-L758 HydrophobicContact CD2-CD2 4.4Å; L745-I762 HydrophobicContact CD1-CD1 3.49Å; L745-I762 VanDerWaalsContact CD1-CD1 3.49Å; L745-V766 HydrophobicContact CB-CG1 4.19Å; L745-V766 HydrophobicContact CB-CG2 4.03Å; L745-V766 HydrophobicContact CD1-CG2 4.1Å
746	F	98.4	Very high	96.6	Very high	7 Å²	7	58.2 Å²	58.2	3%	0.031	32%	0.324	C	S	.	.	H	α-helix	trans	-63	-45	176.4	-177	-101	0	0	0	111.2	A742 T743 W749 K750 V766 F767 G770 F779 L780	A742-F746 WeakPolarHBondContact O-CB 3.38Å; A742-F746 PolarHBondContact O-N 3.48Å; T743-F746 PolarHBondContact O-N 3.37Å; F746-W749 HydrophobicContact CD2-CE3 4.09Å; F746-W749 HydrophobicContact CD2-CZ3 4.48Å; F746-W749 AromaticContact CE2-CE3 3.93Å; F746-W749 HydrophobicContact CE2-CE3 3.93Å; F746-W749 AromaticContact CE2-CZ3 3.92Å; F746-W749 HydrophobicContact CE2-CZ3 3.92Å; F746-W749 PolarHBondContact O-N 3.28Å; F746-K750 HydrophobicContact CE1-CD 4.11Å; F746-K750 VanDerWaalsContact O-CB 3.28Å; F746-K750 WeakPolarHBondContact O-CB 3.44Å; F746-K750 PolarHBondContact O-N 3.49Å; F746-V766 HydrophobicContact CB-CG1 3.7Å; F746-V766 HydrophobicContact CD2-CG1 4.2Å; F746-V766 HydrophobicContact CG-CG1 4.48Å; F746-F767 HydrophobicContact CD2-CD1 4.47Å; F746-G770 VanDerWaalsContact CD1-CA 3.43Å; F746-G770 VanDerWaalsContact CE1-CA 3.41Å; F746-F779 HydrophobicContact CZ-CD1 4.36Å; F746-L780 HydrophobicContact CE2-CD1 4.09Å; F746-L780 HydrophobicContact CE2-CD2 4.07Å; F746-L780 HydrophobicContact CE2-CG 3.94Å; F746-L780 HydrophobicContact CZ-CD1 4.39Å; F746-L780 HydrophobicContact CZ-CG 4.21Å
747	N	98.1	Very high	96.4	Very high	68 Å²	68	57.9 Å²	57.9	36%	0.364	32%	0.324	S	S	.	.	H	α-helix	trans	-62.7	-45.4	177.6	-72.2	-21.8	0	0	0	111.6	T743 K744 W749 K750 D751	T743-N747 WeakPolarHBondContact O-CB 3.37Å; T743-N747 PolarHBondContact O-N 3.37Å; T743-N747 PolarHBondContact O-ND2 3.14Å; K744-N747 PolarHBondContact O-N 3.17Å; N747-W749 VanDerWaalsContact C-N 3.31Å; N747-W749 PolarHBondContact O-N 3.03Å; N747-K750 PolarHBondContact O-N 3.48Å; N747-D751 VanDerWaalsContact O-CB 3.31Å; N747-D751 WeakPolarHBondContact O-CB 3.22Å; N747-D751 PolarHBondContact O-N 2.89Å
748	Q	98.2	Very high	96.3	Very high	82 Å²	82	54.8 Å²	54.8	38%	0.383	30%	0.304	S	S	.	.	H	α-helix	trans	-60.4	-41.1	175.2	-71.8	176.3	-32.8	0	0	112.3	K744 L745 S752 M756	K744-Q748 VanDerWaalsContact O-CG 3.28Å; K744-Q748 WeakPolarHBondContact O-CG 3.32Å; K744-Q748 PolarHBondContact O-N 3.29Å; L745-Q748 PolarHBondContact O-N 3.31Å; Q748-S752 WeakPolarHBondContact O-CB 3.25Å; Q748-S752 PolarHBondContact O-N 3.39Å; Q748-S752 VanDerWaalsContact O-N 3.1Å; Q748-S752 PolarHBondContact O-OG 3.16Å; Q748-M756 HydrophobicContact CB-CE 3.71Å; Q748-M756 HydrophobicContact CB-SD 3.74Å
749	W	97.6	Very high	96.3	Very high	13 Å²	13	56.4 Å²	56.4	5%	0.049	31%	0.314	C	S	.	.	H	α-helix	trans	-64.4	-47.1	176	-177.8	70.5	0	0	0	111.4	L745 F746 N747 S752 D753 G754 M756 L758 F767 F779 L780 K783	L745-W749 VanDerWaalsContact O-CB 3.3Å; L745-W749 WeakPolarHBondContact O-CB 3.47Å; L745-W749 PolarHBondContact O-N 2.93Å; F746-W749 HydrophobicContact CD2-CE3 4.09Å; F746-W749 HydrophobicContact CD2-CZ3 4.48Å; F746-W749 AromaticContact CE2-CE3 3.93Å; F746-W749 HydrophobicContact CE2-CE3 3.93Å; F746-W749 AromaticContact CE2-CZ3 3.92Å; F746-W749 HydrophobicContact CE2-CZ3 3.92Å; F746-W749 PolarHBondContact O-N 3.28Å; N747-W749 VanDerWaalsContact C-N 3.31Å; N747-W749 PolarHBondContact O-N 3.03Å; W749-S752 PolarHBondContact O-N 3.07Å; W749-S752 PolarHBondContact O-OG 2.98Å; W749-D753 PolarHBondContact O-N 3.44Å; W749-G754 PolarHBondContact NE1-O 3.36Å; W749-G754 VanDerWaalsContact NE1-O 3.11Å; W749-G754 WeakPolarHBondContact O-CA 3.49Å; W749-G754 PolarHBondContact O-N 2.7Å; W749-M756 HydrophobicContact CB-CE 3.8Å; W749-L758 HydrophobicContact CB-CD1 4.01Å; W749-L758 HydrophobicContact CB-CG 4.37Å; W749-L758 HydrophobicContact CD2-CD1 4.18Å; W749-L758 HydrophobicContact CG-CD1 3.72Å; W749-L758 HydrophobicContact CG-CG 4.23Å; W749-F767 HydrophobicContact CD2-CE1 4.13Å; W749-F767 AromaticContact CE3-CE1 3.9Å; W749-F767 HydrophobicContact CE3-CE1 3.9Å; W749-F767 AromaticContact CH2-CE1 3.78Å; W749-F767 HydrophobicContact CH2-CE1 3.78Å; W749-F767 AromaticContact CH2-CZ 3.97Å; W749-F767 HydrophobicContact CH2-CZ 3.97Å; W749-F767 HydrophobicContact CZ2-CE1 4.02Å; W749-F767 HydrophobicContact CZ2-CZ 4.03Å; W749-F767 HydrophobicContact CZ3-CD1 4.27Å; W749-F767 AromaticContact CZ3-CE1 3.69Å; W749-F767 HydrophobicContact CZ3-CE1 3.69Å; W749-F767 HydrophobicContact CZ3-CZ 4.35Å; W749-F779 HydrophobicContact CD2-CE1 4.34Å; W749-F779 HydrophobicContact CE3-CD1 4.22Å; W749-F779 AromaticContact CE3-CE1 3.58Å; W749-F779 HydrophobicContact CE3-CE1 3.58Å; W749-F779 HydrophobicContact CH2-CD1 4.32Å; W749-F779 AromaticContact CH2-CE1 3.76Å; W749-F779 HydrophobicContact CH2-CE1 3.76Å; W749-F779 HydrophobicContact CZ2-CE1 4.47Å; W749-F779 AromaticContact CZ3-CD1 3.67Å; W749-F779 HydrophobicContact CZ3-CD1 3.67Å; W749-F779 AromaticContact CZ3-CE1 3.27Å; W749-F779 HydrophobicContact CZ3-CE1 3.27Å; W749-F779 HydrophobicContact CZ3-CZ 4.44Å; W749-L780 HydrophobicContact CH2-CD2 4.06Å; W749-L780 HydrophobicContact CZ3-CD2 3.76Å; W749-K783 HydrophobicContact CH2-CB 4.17Å; W749-K783 HydrophobicContact CH2-CG 3.79Å; W749-K783 HydrophobicContact CZ2-CG 4.25Å
750	K	97.7	Very high	96.1	Very high	70 Å²	70	55.3 Å²	55.3	30%	0.304	31%	0.307	S	S	.	.	H	α-helix	trans	-61	-45.6	176.8	-173.7	-178	73	103	0	112.3	F746 N747 S752 D753 F779	F746-K750 HydrophobicContact CE1-CD 4.11Å; F746-K750 VanDerWaalsContact O-CB 3.28Å; F746-K750 WeakPolarHBondContact O-CB 3.44Å; F746-K750 PolarHBondContact O-N 3.49Å; N747-K750 PolarHBondContact O-N 3.48Å; K750-S752 PolarHBondContact O-N 3.31Å; K750-D753 WeakPolarHBondContact O-CA 3.38Å; K750-D753 PolarHBondContact O-N 3.43Å; K750-F779 HydrophobicContact CB-CD1 4.19Å; K750-F779 HydrophobicContact CB-CE1 3.97Å; K750-F779 HydrophobicContact CB-CZ 4.34Å; K750-F779 HydrophobicContact CD-CD1 4.49Å; K750-F779 HydrophobicContact CD-CG 4.39Å; K750-F779 HydrophobicContact CG-CD1 3.82Å; K750-F779 HydrophobicContact CG-CD2 4.08Å; K750-F779 HydrophobicContact CG-CE1 3.93Å; K750-F779 HydrophobicContact CG-CE2 4.2Å; K750-F779 HydrophobicContact CG-CG 3.88Å; K750-F779 HydrophobicContact CG-CZ 4.12Å
751	D	97.3	Very high	95.9	Very high	126 Å²	126	52.4 Å²	52.4	67%	0.674	28%	0.283	S	S	*	.	H	α-helix	trans	-66.5	-24.8	179.5	-65.6	-15.3	0	0	0	112.1	N747 D753	N747-D751 VanDerWaalsContact O-CB 3.31Å; N747-D751 WeakPolarHBondContact O-CB 3.22Å; N747-D751 PolarHBondContact O-N 2.89Å; D751-D753 PolarHBondContact O-N 3.24Å
752	S	96.8	Very high	95.8	Very high	33 Å²	33	48.4 Å²	48.4	23%	0.231	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	7.1	170.7	78	0	0	0	0	114	Q748 W749 K750 G754 T755 M756	Q748-S752 WeakPolarHBondContact O-CB 3.25Å; Q748-S752 PolarHBondContact O-N 3.39Å; Q748-S752 VanDerWaalsContact O-N 3.1Å; Q748-S752 PolarHBondContact O-OG 3.16Å; W749-S752 PolarHBondContact O-N 3.07Å; W749-S752 PolarHBondContact O-OG 2.98Å; K750-S752 PolarHBondContact O-N 3.31Å; S752-G754 PolarHBondContact O-N 3.39Å; S752-T755 WeakPolarHBondContact O-CB 3.29Å; S752-T755 WeakPolarHBondContact O-CG2 3.35Å; S752-T755 PolarHBondContact O-N 3.1Å; S752-T755 VanDerWaalsContact O-N 3.11Å; S752-T755 PolarHBondContact O-OG1 3.05Å; S752-T755 PolarHBondContact OG-N 3.5Å; S752-M756 WeakPolarHBondContact OG-CB 3.33Å; S752-M756 PolarHBondContact OG-N 3.11Å
753	D	95.1	Very high	95.6	Very high	99 Å²	99	48.8 Å²	48.8	53%	0.529	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	53	36.2	-170	-168.8	36.4	0	0	0	113.1	W749 K750 D751 T755 K783	W749-D753 PolarHBondContact O-N 3.44Å; K750-D753 WeakPolarHBondContact O-CA 3.38Å; K750-D753 PolarHBondContact O-N 3.43Å; D751-D753 PolarHBondContact O-N 3.24Å; D753-T755 VanDerWaalsContact C-N 3.25Å; D753-T755 PolarHBondContact O-N 2.91Å; D753-K783 WeakPolarHBondContact O-CE 3.17Å; D753-K783 PolarHBondContact O-NZ 3.42Å; D753-K783 WeakPolarHBondContact OD1-CE 3.41Å; D753-K783 IonicContact OD1-NZ 2.71Å; D753-K783 PolarHBondContact OD1-NZ 2.95Å; D753-K783 IonicContact OD2-NZ 3.86Å; D753-K783 PolarHBondContact OD2-NZ 2.87Å
754	G	91.9	Very high	95.5	Very high	13 Å²	13	48 Å²	48	13%	0.134	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.5	8.1	179.5	0	0	0	0	0	115.5	W749 S752	W749-G754 PolarHBondContact NE1-O 3.36Å; W749-G754 VanDerWaalsContact NE1-O 3.11Å; W749-G754 WeakPolarHBondContact O-CA 3.49Å; W749-G754 PolarHBondContact O-N 2.7Å; S752-G754 PolarHBondContact O-N 3.39Å
755	T	91.3	Very high	95.5	Very high	107 Å²	107	42.2 Å²	42.2	66%	0.656	24%	0.236	S	C	*	.			trans	-80.4	-25.4	-179.7	63	0	0	0	0	113.4	S752 D753 S757	S752-T755 WeakPolarHBondContact O-CB 3.29Å; S752-T755 WeakPolarHBondContact O-CG2 3.35Å; S752-T755 PolarHBondContact O-N 3.1Å; S752-T755 VanDerWaalsContact O-N 3.11Å; S752-T755 PolarHBondContact O-OG1 3.05Å; S752-T755 PolarHBondContact OG-N 3.5Å; D753-T755 VanDerWaalsContact C-N 3.25Å; D753-T755 PolarHBondContact O-N 2.91Å; T755-S757 PolarHBondContact O-N 2.92Å
756	M	94	Very high	95.5	Very high	54 Å²	54	41.2 Å²	41.2	27%	0.266	23%	0.231	S	C	.	.	S	Bend	trans	-59.3	132	173.4	-175.3	-179.5	79.3	0	0	110	Q748 W749 S752 L758	Q748-M756 HydrophobicContact CB-CE 3.71Å; Q748-M756 HydrophobicContact CB-SD 3.74Å; W749-M756 HydrophobicContact CB-CE 3.8Å; S752-M756 WeakPolarHBondContact OG-CB 3.33Å; S752-M756 PolarHBondContact OG-N 3.11Å; M756-L758 HydrophobicContact CE-CD2 3.6Å; M756-L758 HydrophobicContact CE-CG 4.3Å; M756-L758 PolarHBondContact O-N 3.42Å
757	S	90.6	Very high	95.4	Very high	89 Å²	89	41.1 Å²	41.1	62%	0.622	23%	0.23	S	C	*	.			trans	-74.3	128.4	173.1	-168	0	0	0	0	110.2	T755	T755-S757 PolarHBondContact O-N 2.92Å
758	L	94	Very high	95.4	Very high	10 Å²	10	38 Å²	38	5%	0.052	21%	0.213	C	C	.	.			trans	-104.5	139.4	169.2	-70.9	171.9	0	0	0	107.9	L745 W749 M756 V760 V766 F767	L745-L758 HydrophobicContact CB-CD2 4.12Å; L745-L758 HydrophobicContact CD2-CD2 4.4Å; W749-L758 HydrophobicContact CB-CD1 4.01Å; W749-L758 HydrophobicContact CB-CG 4.37Å; W749-L758 HydrophobicContact CD2-CD1 4.18Å; W749-L758 HydrophobicContact CG-CD1 3.72Å; W749-L758 HydrophobicContact CG-CG 4.23Å; M756-L758 HydrophobicContact CE-CD2 3.6Å; M756-L758 HydrophobicContact CE-CG 4.3Å; M756-L758 PolarHBondContact O-N 3.42Å; L758-V760 PolarHBondContact O-N 2.73Å; L758-V766 HydrophobicContact CD1-CG1 3.98Å; L758-F767 HydrophobicContact CD1-CE1 4.01Å
759	P	95.4	Very high	95.3	Very high	36 Å²	36	34.6 Å²	34.6	23%	0.234	20%	0.198	C	C	.	.			trans	-53.9	132.3	165.8	-17.2	25.3	0	0	0	110.1	D713 D761 I762 T763	D713-P759 WeakPolarHBondContact OD1-CB 3.46Å; D713-P759 VanDerWaalsContact OD2-CA 3.22Å; D713-P759 WeakPolarHBondContact OD2-CA 3.46Å; P759-D761 VanDerWaalsContact C-N 3.3Å; P759-D761 PolarHBondContact O-N 2.79Å; P759-I762 HydrophobicContact CB-CD1 4.39Å; P759-I762 HydrophobicContact CB-CG1 4Å; P759-I762 HydrophobicContact CG-CD1 4.11Å; P759-I762 HydrophobicContact CG-CG1 4.26Å; P759-I762 WeakPolarHBondContact O-CG1 3.49Å; P759-I762 PolarHBondContact O-N 2.91Å; P759-T763 PolarHBondContact O-N 3.27Å; P759-T763 PolarHBondContact O-OG1 3.33Å
760	V	94.1	Very high	95.3	Very high	11 Å²	11	34.2 Å²	34.2	7%	0.067	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-64.1	-38.4	-168.8	-176.5	0	0	0	0	111.1	R328 S330 D713 L758 I762 T763 R795	R328-V760 VanDerWaalsContact O-CG1 3.29Å; R328-V760 WeakPolarHBondContact O-CG1 3.44Å; S330-V760 VanDerWaalsContact CA-CG1 3.43Å; D713-V760 VanDerWaalsContact CG-N 3.26Å; D713-V760 PolarHBondContact OD1-N 3.17Å; D713-V760 PolarHBondContact OD2-N 2.62Å; L758-V760 PolarHBondContact O-N 2.73Å; V760-I762 VanDerWaalsContact C-N 3.31Å; V760-I762 PolarHBondContact O-N 2.96Å; V760-T763 WeakPolarHBondContact O-CB 3.42Å; V760-T763 PolarHBondContact O-N 3.38Å; V760-T763 PolarHBondContact O-OG1 2.8Å; V760-R795 PolarHBondContact O-NH1 3.06Å
761	D	92.4	Very high	95.3	Very high	5 Å²	5	30.9 Å²	30.9	3%	0.027	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-69.4	-27.1	-175.5	-61.3	-11.5	0	0	0	112.6	D713 R720 R723 S724 P759	D713-D761 WeakPolarHBondContact OD1-CB 3.26Å; D713-D761 PolarHBondContact OD1-N 3.4Å; R720-D761 WeakPolarHBondContact CB-OD2 3.26Å; R720-D761 WeakPolarHBondContact CG-OD2 3.34Å; R720-D761 IonicContact CZ-OD1 3.73Å; R720-D761 IonicContact CZ-OD2 3.54Å; R720-D761 IonicContact NE-OD1 3.97Å; R720-D761 PolarHBondContact NE-OD1 2.9Å; R720-D761 IonicContact NE-OD2 2.79Å; R720-D761 PolarHBondContact NE-OD2 3.06Å; R720-D761 IonicContact NH2-OD1 3.38Å; R720-D761 PolarHBondContact NH2-OD1 3.17Å; R720-D761 IonicContact NH2-OD2 2.71Å; R723-D761 IonicContact NH1-OD2 3.2Å; R723-D761 PolarHBondContact NH1-OD2 2.83Å; S724-D761 WeakPolarHBondContact CA-O 3.48Å; S724-D761 VanDerWaalsContact CB-O 3.24Å; S724-D761 WeakPolarHBondContact CB-O 3.4Å; S724-D761 PolarHBondContact OG-O 3.33Å; P759-D761 VanDerWaalsContact C-N 3.3Å; P759-D761 PolarHBondContact O-N 2.79Å
762	I	95.3	Very high	95.1	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-93.2	-10.5	179.7	67.3	159.8	0	0	0	113.2	W711 L727 L745 P759 V760 M764 A765 V766	W711-I762 HydrophobicContact CB-CD1 4.46Å; W711-I762 HydrophobicContact CB-CG2 4.31Å; W711-I762 HydrophobicContact CD2-CG2 4.46Å; W711-I762 HydrophobicContact CE3-CB 4.14Å; W711-I762 HydrophobicContact CE3-CD1 3.63Å; W711-I762 HydrophobicContact CE3-CG2 4.17Å; W711-I762 HydrophobicContact CZ3-CD1 4.32Å; L727-I762 HydrophobicContact CD1-CG2 3.72Å; L745-I762 HydrophobicContact CD1-CD1 3.49Å; L745-I762 VanDerWaalsContact CD1-CD1 3.49Å; P759-I762 HydrophobicContact CB-CD1 4.39Å; P759-I762 HydrophobicContact CB-CG1 4Å; P759-I762 HydrophobicContact CG-CD1 4.11Å; P759-I762 HydrophobicContact CG-CG1 4.26Å; P759-I762 WeakPolarHBondContact O-CG1 3.49Å; P759-I762 PolarHBondContact O-N 2.91Å; V760-I762 VanDerWaalsContact C-N 3.31Å; V760-I762 PolarHBondContact O-N 2.96Å; I762-M764 VanDerWaalsContact C-N 3.25Å; I762-M764 PolarHBondContact O-N 2.85Å; I762-A765 PolarHBondContact O-N 3.04Å; I762-A765 VanDerWaalsContact O-N 3.1Å; I762-V766 HydrophobicContact CD1-CG2 4.04Å; I762-V766 HydrophobicContact CG1-CG2 4.33Å; I762-V766 WeakPolarHBondContact O-CG2 3.12Å; I762-V766 PolarHBondContact O-N 2.92Å; I762-V766 VanDerWaalsContact O-N 3.08Å
763	T	95.4	Very high	95	Very high	7 Å²	7	29 Å²	29	4%	0.043	17%	0.168	C	C	.	.	H	α-helix	trans	-62.4	-36.2	-165.7	-69.2	0	0	0	0	111.2	P759 V760 A765 V766 F767	P759-T763 PolarHBondContact O-N 3.27Å; P759-T763 PolarHBondContact O-OG1 3.33Å; V760-T763 WeakPolarHBondContact O-CB 3.42Å; V760-T763 PolarHBondContact O-N 3.38Å; V760-T763 PolarHBondContact O-OG1 2.8Å; T763-A765 PolarHBondContact O-N 2.75Å; T763-V766 PolarHBondContact O-N 2.92Å; T763-F767 HydrophobicContact CG2-CD1 4.09Å; T763-F767 HydrophobicContact CG2-CD2 3.59Å; T763-F767 HydrophobicContact CG2-CE1 3.72Å; T763-F767 HydrophobicContact CG2-CE2 3.16Å; T763-F767 HydrophobicContact CG2-CG 4.04Å; T763-F767 HydrophobicContact CG2-CZ 3.25Å; T763-F767 WeakPolarHBondContact O-CB 3.35Å; T763-F767 VanDerWaalsContact O-CG 3.25Å; T763-F767 WeakPolarHBondContact O-CG 3.14Å; T763-F767 PolarHBondContact O-N 2.79Å
764	M	95.6	Very high	95.1	Very high	34 Å²	34	26.8 Å²	26.8	17%	0.167	16%	0.16	C	C	.	.	H	α-helix	trans	-62.2	-44.8	176.9	-171.2	60.7	-177.8	0	0	112	L728 I762 V766 F767 V768 R795 A799	L728-M764 HydrophobicContact CD1-CG 4.08Å; L728-M764 HydrophobicContact CD2-CG 3.93Å; I762-M764 VanDerWaalsContact C-N 3.25Å; I762-M764 PolarHBondContact O-N 2.85Å; M764-V766 PolarHBondContact O-N 2.84Å; M764-F767 PolarHBondContact O-N 3.11Å; M764-V768 HydrophobicContact CE-CG2 3.9Å; M764-V768 WeakPolarHBondContact O-CB 3.24Å; M764-V768 VanDerWaalsContact O-CG2 3.28Å; M764-V768 WeakPolarHBondContact O-CG2 3.4Å; M764-V768 PolarHBondContact O-N 3.4Å; M764-V768 HydrophobicContact SD-CG2 4.37Å; M764-R795 HydrophobicContact SD-CB 4.48Å; M764-A799 HydrophobicContact CE-CB 4.42Å; M764-A799 HydrophobicContact SD-CB 4.2Å
765	A	97.3	Very high	95.4	Very high	1 Å²	1	32 Å²	32	1%	0.008	18%	0.18	C	C	.	.	H	α-helix	trans	-63.1	-42.1	176.2	0	0	0	0	0	111.6	L727 C731 I762 T763 I769	L727-A765 HydrophobicContact CB-CB 4.5Å; C731-A765 HydrophobicContact CB-CB 4.37Å; I762-A765 PolarHBondContact O-N 3.04Å; I762-A765 VanDerWaalsContact O-N 3.1Å; T763-A765 PolarHBondContact O-N 2.75Å; A765-I769 WeakPolarHBondContact O-CG1 3.42Å; A765-I769 PolarHBondContact O-N 2.86Å
766	V	98.1	Very high	95.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62.5	-47.7	176.9	176.4	0	0	0	0	111.4	W711 L745 F746 L758 I762 T763 M764 I769 G770	W711-V766 HydrophobicContact CZ3-CG2 4.23Å; L745-V766 HydrophobicContact CB-CG1 4.19Å; L745-V766 HydrophobicContact CB-CG2 4.03Å; L745-V766 HydrophobicContact CD1-CG2 4.1Å; F746-V766 HydrophobicContact CB-CG1 3.7Å; F746-V766 HydrophobicContact CD2-CG1 4.2Å; F746-V766 HydrophobicContact CG-CG1 4.48Å; L758-V766 HydrophobicContact CD1-CG1 3.98Å; I762-V766 HydrophobicContact CD1-CG2 4.04Å; I762-V766 HydrophobicContact CG1-CG2 4.33Å; I762-V766 WeakPolarHBondContact O-CG2 3.12Å; I762-V766 PolarHBondContact O-N 2.92Å; I762-V766 VanDerWaalsContact O-N 3.08Å; T763-V766 PolarHBondContact O-N 2.92Å; M764-V766 PolarHBondContact O-N 2.84Å; V766-I769 PolarHBondContact O-N 3.45Å; V766-G770 PolarHBondContact O-N 3.06Å
767	F	97.9	Very high	95.9	Very high	5 Å²	5	24.5 Å²	24.5	2%	0.022	14%	0.137	C	C	.	.	H	α-helix	trans	-67.9	-40.2	-179.4	-68.8	-8.4	0	0	0	112.5	F746 W749 L758 T763 M764 I769 G770 A771 L780 I796 A799	F746-F767 HydrophobicContact CD2-CD1 4.47Å; W749-F767 HydrophobicContact CD2-CE1 4.13Å; W749-F767 AromaticContact CE3-CE1 3.9Å; W749-F767 HydrophobicContact CE3-CE1 3.9Å; W749-F767 AromaticContact CH2-CE1 3.78Å; W749-F767 HydrophobicContact CH2-CE1 3.78Å; W749-F767 AromaticContact CH2-CZ 3.97Å; W749-F767 HydrophobicContact CH2-CZ 3.97Å; W749-F767 HydrophobicContact CZ2-CE1 4.02Å; W749-F767 HydrophobicContact CZ2-CZ 4.03Å; W749-F767 HydrophobicContact CZ3-CD1 4.27Å; W749-F767 AromaticContact CZ3-CE1 3.69Å; W749-F767 HydrophobicContact CZ3-CE1 3.69Å; W749-F767 HydrophobicContact CZ3-CZ 4.35Å; L758-F767 HydrophobicContact CD1-CE1 4.01Å; T763-F767 HydrophobicContact CG2-CD1 4.09Å; T763-F767 HydrophobicContact CG2-CD2 3.59Å; T763-F767 HydrophobicContact CG2-CE1 3.72Å; T763-F767 HydrophobicContact CG2-CE2 3.16Å; T763-F767 HydrophobicContact CG2-CG 4.04Å; T763-F767 HydrophobicContact CG2-CZ 3.25Å; T763-F767 WeakPolarHBondContact O-CB 3.35Å; T763-F767 VanDerWaalsContact O-CG 3.25Å; T763-F767 WeakPolarHBondContact O-CG 3.14Å; T763-F767 PolarHBondContact O-N 2.79Å; M764-F767 PolarHBondContact O-N 3.11Å; F767-I769 VanDerWaalsContact C-N 3.31Å; F767-I769 PolarHBondContact O-N 3.19Å; F767-G770 PolarHBondContact O-N 3.44Å; F767-G770 VanDerWaalsContact O-N 3.17Å; F767-A771 WeakPolarHBondContact O-CB 3.48Å; F767-A771 PolarHBondContact O-N 3.47Å; F767-L780 HydrophobicContact CB-CD1 4.33Å; F767-L780 HydrophobicContact CB-CD2 4.15Å; F767-L780 HydrophobicContact CD1-CD2 3.8Å; F767-L780 HydrophobicContact CD2-CD2 4.19Å; F767-L780 HydrophobicContact CE1-CD2 4.17Å; F767-L780 HydrophobicContact CG-CD2 3.8Å; F767-L780 WeakPolarHBondContact O-CD1 3.28Å; F767-I796 HydrophobicContact CD2-CG1 3.81Å; F767-I796 HydrophobicContact CE2-CD1 4.29Å; F767-I796 HydrophobicContact CE2-CG1 3.49Å; F767-I796 VanDerWaalsContact CE2-CG1 3.49Å; F767-I796 HydrophobicContact CZ-CG1 4.29Å; F767-A799 HydrophobicContact CB-CB 3.51Å
768	V	96.9	Very high	96.3	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.006	13%	0.126	C	C	.	.	H	α-helix	trans	-61.2	-41	176.9	164.5	0	0	0	0	111.4	L728 V732 M764 A799 V802	L728-V768 HydrophobicContact CD1-CB 4.3Å; L728-V768 HydrophobicContact CD1-CG2 3.96Å; V732-V768 HydrophobicContact CG2-CG1 3.8Å; M764-V768 HydrophobicContact CE-CG2 3.9Å; M764-V768 WeakPolarHBondContact O-CB 3.24Å; M764-V768 VanDerWaalsContact O-CG2 3.28Å; M764-V768 WeakPolarHBondContact O-CG2 3.4Å; M764-V768 PolarHBondContact O-N 3.4Å; M764-V768 HydrophobicContact SD-CG2 4.37Å; V768-A799 HydrophobicContact CG2-CB 3.92Å; V768-V802 HydrophobicContact CG1-CB 4.12Å; V768-V802 HydrophobicContact CG1-CG1 3.71Å; V768-V802 HydrophobicContact CG2-CB 4.38Å; V768-V802 HydrophobicContact CG2-CG2 4.1Å
769	I	97.3	Very high	96.5	Very high	12 Å²	12	24.9 Å²	24.9	6%	0.062	13%	0.131	C	C	.	.	H	α-helix	trans	-66.9	-41.3	174.8	-65.9	-57.4	0	0	0	111.1	C731 V739 A742 T743 A765 V766 F767 A771 R772	C731-I769 HydrophobicContact CB-CD1 4.09Å; C731-I769 HydrophobicContact CB-CG1 4.08Å; V739-I769 HydrophobicContact CG2-CD1 4.27Å; A742-I769 HydrophobicContact CB-CB 4.03Å; A742-I769 HydrophobicContact CB-CG1 3.7Å; A742-I769 HydrophobicContact CB-CG2 4.32Å; T743-I769 WeakPolarHBondContact OG1-CG2 3.32Å; A765-I769 WeakPolarHBondContact O-CG1 3.42Å; A765-I769 PolarHBondContact O-N 2.86Å; V766-I769 PolarHBondContact O-N 3.45Å; F767-I769 VanDerWaalsContact C-N 3.31Å; F767-I769 PolarHBondContact O-N 3.19Å; I769-A771 PolarHBondContact O-N 3.03Å; I769-R772 VanDerWaalsContact CD1-CZ 3.45Å; I769-R772 WeakPolarHBondContact O-CB 3.42Å; I769-R772 PolarHBondContact O-N 2.92Å
770	G	96.9	Very high	96.6	Very high	4 Å²	4	23.1 Å²	23.1	4%	0.041	12%	0.12	C	C	.	.	H	α-helix	trans	-62.9	-38.8	176.3	0	0	0	0	0	114.4	F746 V766 F767 R772 G776	F746-G770 VanDerWaalsContact CD1-CA 3.43Å; F746-G770 VanDerWaalsContact CE1-CA 3.41Å; V766-G770 PolarHBondContact O-N 3.06Å; F767-G770 PolarHBondContact O-N 3.44Å; F767-G770 VanDerWaalsContact O-N 3.17Å; G770-R772 PolarHBondContact O-N 3.22Å; G770-R772 VanDerWaalsContact O-N 3.1Å; G770-G776 CarbonylContact O-C 3.58Å; G770-G776 WeakPolarHBondContact O-CA 3.47Å
771	A	97.1	Very high	96.8	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-4.7	-179.4	0	0	0	0	0	114.3	F767 I769 L780 T803	F767-A771 WeakPolarHBondContact O-CB 3.48Å; F767-A771 PolarHBondContact O-N 3.47Å; I769-A771 PolarHBondContact O-N 3.03Å; A771-L780 HydrophobicContact CB-CD1 3.71Å; A771-T803 VanDerWaalsContact O-CB 3.31Å; A771-T803 WeakPolarHBondContact O-CB 3.47Å; A771-T803 PolarHBondContact O-OG1 2.84Å
772	R	93.9	Very high	97	Very high	60 Å²	60	27.7 Å²	27.7	23%	0.226	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-35.8	178	-70.4	-178.4	178.5	-171.3	-0.5	111.9	C731 N734 I769 G770 Y804	C731-R772 PolarHBondContact O-NH2 3.34Å; N734-R772 PolarHBondContact OD1-NH1 3.47Å; N734-R772 PolarHBondContact OD1-NH2 3.03Å; I769-R772 VanDerWaalsContact CD1-CZ 3.45Å; I769-R772 WeakPolarHBondContact O-CB 3.42Å; I769-R772 PolarHBondContact O-N 2.92Å; G770-R772 PolarHBondContact O-N 3.22Å; G770-R772 VanDerWaalsContact O-N 3.1Å; R772-Y804 HydrophobicContact CB-CD1 4.46Å; R772-Y804 HydrophobicContact CB-CE1 3.93Å; R772-Y804 WeakPolarHBondContact O-CE1 3.28Å; R772-Y804 PolarHBondContact O-OH 3.33Å
773	T	95.4	Very high	97	Very high	60 Å²	60	29.3 Å²	29.3	37%	0.368	15%	0.147	S	C	.	.	S	Bend	trans	-93	151.5	179.1	85.6	0	0	0	0	111.5	E775 G776 W777	T773-E775 VanDerWaalsContact C-N 3.28Å; T773-E775 WeakPolarHBondContact CB-OE2 3.46Å; T773-E775 PolarHBondContact O-N 3.34Å; T773-E775 PolarHBondContact OG1-OE2 3Å; T773-E775 VanDerWaalsContact OG1-OE2 3.05Å; T773-G776 PolarHBondContact O-N 2.85Å; T773-G776 PolarHBondContact OG1-N 3.49Å; T773-G776 VanDerWaalsContact OG1-N 3.11Å; T773-W777 WeakPolarHBondContact O-CB 3.5Å; T773-W777 PolarHBondContact O-N 2.85Å
774	P	97	Very high	97	Very high	53 Å²	53	29 Å²	29	34%	0.344	15%	0.145	S	C	.	.	H	α-helix	trans	-53.9	-43.7	175.1	-27.1	35.7	0	0	0	112.9	W777 D778 L805	P774-W777 PolarHBondContact O-N 3.31Å; P774-D778 WeakPolarHBondContact O-CB 3.4Å; P774-D778 VanDerWaalsContact O-CG 3.32Å; P774-D778 PolarHBondContact O-N 3.36Å; P774-L805 HydrophobicContact CB-CD1 4.29Å; P774-L805 HydrophobicContact CG-CD1 4.01Å; P774-L805 HydrophobicContact CG-CD2 4.2Å
775	E	97.4	Very high	96.9	Very high	121 Å²	121	34.3 Å²	34.3	57%	0.565	16%	0.163	S	C	*	.	H	α-helix	trans	-68.1	-39.9	-178.5	-53.5	75.7	-164.9	0	0	112.1	T773 F779	T773-E775 VanDerWaalsContact C-N 3.28Å; T773-E775 WeakPolarHBondContact CB-OE2 3.46Å; T773-E775 PolarHBondContact O-N 3.34Å; T773-E775 PolarHBondContact OG1-OE2 3Å; T773-E775 VanDerWaalsContact OG1-OE2 3.05Å; E775-F779 WeakPolarHBondContact O-CB 3.5Å; E775-F779 PolarHBondContact O-N 2.9Å
776	G	98	Very high	96.6	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-70.5	-37.5	177.8	0	0	0	0	0	112.1	G770 T773 L780	G770-G776 CarbonylContact O-C 3.58Å; G770-G776 WeakPolarHBondContact O-CA 3.47Å; T773-G776 PolarHBondContact O-N 2.85Å; T773-G776 PolarHBondContact OG1-N 3.49Å; T773-G776 VanDerWaalsContact OG1-N 3.11Å; G776-L780 WeakPolarHBondContact O-CB 3.36Å; G776-L780 WeakPolarHBondContact O-CG 3.18Å; G776-L780 PolarHBondContact O-N 3.36Å
777	W	98.3	Very high	96.2	Very high	3 Å²	3	39.7 Å²	39.7	1%	0.011	20%	0.196	C	C	.	.	H	α-helix	trans	-63.3	-48.6	173	-168.2	101.8	0	0	0	111.5	T773 P774 F779 L780 F781 M800 K808 W811 M812	T773-W777 WeakPolarHBondContact O-CB 3.5Å; T773-W777 PolarHBondContact O-N 2.85Å; P774-W777 PolarHBondContact O-N 3.31Å; W777-F779 VanDerWaalsContact C-N 3.3Å; W777-F779 PolarHBondContact O-N 3.36Å; W777-L780 PolarHBondContact O-N 3.07Å; W777-F781 HydrophobicContact CE3-CB 4.1Å; W777-F781 HydrophobicContact CH2-CB 4.15Å; W777-F781 HydrophobicContact CH2-CD2 4.43Å; W777-F781 HydrophobicContact CH2-CG 4.18Å; W777-F781 HydrophobicContact CZ3-CB 3.7Å; W777-F781 HydrophobicContact CZ3-CD1 4.29Å; W777-F781 AromaticContact CZ3-CG 3.96Å; W777-F781 HydrophobicContact CZ3-CG 3.96Å; W777-F781 PolarHBondContact O-N 2.65Å; W777-M800 HydrophobicContact CD2-SD 4.47Å; W777-M800 HydrophobicContact CZ2-CB 4.42Å; W777-M800 HydrophobicContact CZ2-SD 4.15Å; W777-M800 PolarHBondContact NE1-O 3.19Å; W777-K808 HydrophobicContact CD2-CB 4.21Å; W777-K808 HydrophobicContact CD2-CD 3.94Å; W777-K808 HydrophobicContact CD2-CG 4.03Å; W777-K808 HydrophobicContact CE3-CD 3.65Å; W777-K808 HydrophobicContact CE3-CG 4.26Å; W777-K808 HydrophobicContact CG-CG 4.44Å; W777-K808 HydrophobicContact CH2-CB 4.47Å; W777-K808 HydrophobicContact CH2-CD 3.99Å; W777-K808 HydrophobicContact CZ2-CB 3.91Å; W777-K808 HydrophobicContact CZ2-CD 4.23Å; W777-K808 HydrophobicContact CZ2-CG 4.44Å; W777-K808 HydrophobicContact CZ3-CD 3.7Å; W777-W811 AromaticContact CH2-CE3 3.69Å; W777-W811 HydrophobicContact CH2-CE3 3.69Å; W777-W811 AromaticContact CH2-CZ3 3.72Å; W777-W811 HydrophobicContact CH2-CZ3 3.72Å; W777-W811 HydrophobicContact CZ2-CE3 4.32Å; W777-W811 HydrophobicContact CZ2-CZ3 4.48Å; W777-M812 HydrophobicContact CH2-CG 4.48Å; W777-M812 HydrophobicContact CZ2-CG 3.77Å; W777-M812 HydrophobicContact CZ2-SD 3.82Å
778	D	98.2	Very high	95.7	Very high	73 Å²	73	42.7 Å²	42.7	39%	0.39	21%	0.212	S	C	.	.	H	α-helix	trans	-62.6	-38.4	179.3	-74.3	-22.2	0	0	0	111.6	P774 F781 E782 K808	P774-D778 WeakPolarHBondContact O-CB 3.4Å; P774-D778 VanDerWaalsContact O-CG 3.32Å; P774-D778 PolarHBondContact O-N 3.36Å; D778-F781 PolarHBondContact O-N 3.01Å; D778-E782 PolarHBondContact O-N 3.05Å; D778-K808 IonicContact OD1-NZ 3.95Å; D778-K808 PolarHBondContact OD1-NZ 3.11Å; D778-K808 IonicContact OD2-NZ 3.48Å
779	F	98.4	Very high	95.4	Very high	34 Å²	34	44.5 Å²	44.5	15%	0.149	22%	0.22	C	C	.	.	H	α-helix	trans	-63.2	-46.7	174	-177.8	-104.7	0	0	0	112.4	F746 W749 K750 E775 W777 F781 E782 K783	F746-F779 HydrophobicContact CZ-CD1 4.36Å; W749-F779 HydrophobicContact CD2-CE1 4.34Å; W749-F779 HydrophobicContact CE3-CD1 4.22Å; W749-F779 AromaticContact CE3-CE1 3.58Å; W749-F779 HydrophobicContact CE3-CE1 3.58Å; W749-F779 HydrophobicContact CH2-CD1 4.32Å; W749-F779 AromaticContact CH2-CE1 3.76Å; W749-F779 HydrophobicContact CH2-CE1 3.76Å; W749-F779 HydrophobicContact CZ2-CE1 4.47Å; W749-F779 AromaticContact CZ3-CD1 3.67Å; W749-F779 HydrophobicContact CZ3-CD1 3.67Å; W749-F779 AromaticContact CZ3-CE1 3.27Å; W749-F779 HydrophobicContact CZ3-CE1 3.27Å; W749-F779 HydrophobicContact CZ3-CZ 4.44Å; K750-F779 HydrophobicContact CB-CD1 4.19Å; K750-F779 HydrophobicContact CB-CE1 3.97Å; K750-F779 HydrophobicContact CB-CZ 4.34Å; K750-F779 HydrophobicContact CD-CD1 4.49Å; K750-F779 HydrophobicContact CD-CG 4.39Å; K750-F779 HydrophobicContact CG-CD1 3.82Å; K750-F779 HydrophobicContact CG-CD2 4.08Å; K750-F779 HydrophobicContact CG-CE1 3.93Å; K750-F779 HydrophobicContact CG-CE2 4.2Å; K750-F779 HydrophobicContact CG-CG 3.88Å; K750-F779 HydrophobicContact CG-CZ 4.12Å; E775-F779 WeakPolarHBondContact O-CB 3.5Å; E775-F779 PolarHBondContact O-N 2.9Å; W777-F779 VanDerWaalsContact C-N 3.3Å; W777-F779 PolarHBondContact O-N 3.36Å; F779-F781 VanDerWaalsContact C-N 3.32Å; F779-F781 PolarHBondContact O-N 3.07Å; F779-E782 PolarHBondContact O-N 3.25Å; F779-K783 HydrophobicContact CE1-CG 4.17Å; F779-K783 HydrophobicContact CZ-CD 4.41Å; F779-K783 HydrophobicContact CZ-CG 4.23Å; F779-K783 WeakPolarHBondContact O-CG 3.48Å; F779-K783 PolarHBondContact O-N 3.3Å; F779-K783 VanDerWaalsContact O-N 3.11Å
780	L	98.2	Very high	95	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-59.6	-44.1	176.1	-80.8	170.7	0	0	0	111.3	F746 W749 F767 A771 G776 W777 E782 K783 Y784 I796 M800	F746-L780 HydrophobicContact CE2-CD1 4.09Å; F746-L780 HydrophobicContact CE2-CD2 4.07Å; F746-L780 HydrophobicContact CE2-CG 3.94Å; F746-L780 HydrophobicContact CZ-CD1 4.39Å; F746-L780 HydrophobicContact CZ-CG 4.21Å; W749-L780 HydrophobicContact CH2-CD2 4.06Å; W749-L780 HydrophobicContact CZ3-CD2 3.76Å; F767-L780 HydrophobicContact CB-CD1 4.33Å; F767-L780 HydrophobicContact CB-CD2 4.15Å; F767-L780 HydrophobicContact CD1-CD2 3.8Å; F767-L780 HydrophobicContact CD2-CD2 4.19Å; F767-L780 HydrophobicContact CE1-CD2 4.17Å; F767-L780 HydrophobicContact CG-CD2 3.8Å; F767-L780 WeakPolarHBondContact O-CD1 3.28Å; A771-L780 HydrophobicContact CB-CD1 3.71Å; G776-L780 WeakPolarHBondContact O-CB 3.36Å; G776-L780 WeakPolarHBondContact O-CG 3.18Å; G776-L780 PolarHBondContact O-N 3.36Å; W777-L780 PolarHBondContact O-N 3.07Å; L780-E782 VanDerWaalsContact C-N 3.32Å; L780-E782 PolarHBondContact O-N 2.99Å; L780-K783 CarbonylContact O-C 3.04Å; L780-K783 PolarHBondContact O-N 2.72Å; L780-K783 VanDerWaalsContact O-N 3.13Å; L780-Y784 PolarHBondContact O-N 3.17Å; L780-I796 HydrophobicContact CB-CG2 3.94Å; L780-I796 HydrophobicContact CD2-CG1 4.24Å; L780-I796 HydrophobicContact CD2-CG2 4.17Å; L780-I796 WeakPolarHBondContact O-CG2 3.21Å; L780-M800 HydrophobicContact CB-CG 4.13Å; L780-M800 HydrophobicContact CB-SD 4.16Å
781	F	97.8	Very high	94.6	Very high	29 Å²	29	44.8 Å²	44.8	13%	0.127	22%	0.221	C	C	.	.	H	α-helix	trans	-60.8	-40	177.6	175.8	-115.9	0	0	0	112.5	W777 D778 F779 K783 Y784 R785 M800 W811 V821	W777-F781 HydrophobicContact CE3-CB 4.1Å; W777-F781 HydrophobicContact CH2-CB 4.15Å; W777-F781 HydrophobicContact CH2-CD2 4.43Å; W777-F781 HydrophobicContact CH2-CG 4.18Å; W777-F781 HydrophobicContact CZ3-CB 3.7Å; W777-F781 HydrophobicContact CZ3-CD1 4.29Å; W777-F781 AromaticContact CZ3-CG 3.96Å; W777-F781 HydrophobicContact CZ3-CG 3.96Å; W777-F781 PolarHBondContact O-N 2.65Å; D778-F781 PolarHBondContact O-N 3.01Å; F779-F781 VanDerWaalsContact C-N 3.32Å; F779-F781 PolarHBondContact O-N 3.07Å; F781-K783 VanDerWaalsContact C-N 3.33Å; F781-K783 PolarHBondContact O-N 3.16Å; F781-Y784 HydrophobicContact CD2-CD1 4.25Å; F781-Y784 HydrophobicContact CE2-CD1 4.19Å; F781-Y784 WeakPolarHBondContact O-CB 3.02Å; F781-Y784 PolarHBondContact O-N 3.11Å; F781-R785 HydrophobicContact CE1-CG 4.3Å; F781-R785 HydrophobicContact CE2-CG 3.92Å; F781-R785 VanDerWaalsContact CZ-CD 3.47Å; F781-R785 HydrophobicContact CZ-CG 3.8Å; F781-R785 WeakPolarHBondContact O-CG 3.43Å; F781-R785 PolarHBondContact O-N 3.33Å; F781-R785 VanDerWaalsContact O-N 3.07Å; F781-M800 HydrophobicContact CB-SD 3.76Å; F781-M800 HydrophobicContact CD2-CE 4.47Å; F781-M800 HydrophobicContact CD2-SD 4.47Å; F781-W811 HydrophobicContact CD2-CH2 4.06Å; F781-W811 HydrophobicContact CD2-CZ3 4.15Å; F781-W811 AromaticContact CE1-CH2 3.88Å; F781-W811 HydrophobicContact CE1-CH2 3.88Å; F781-W811 HydrophobicContact CE1-CZ2 4.31Å; F781-W811 AromaticContact CE2-CH2 3.35Å; F781-W811 HydrophobicContact CE2-CH2 3.35Å; F781-W811 HydrophobicContact CE2-CZ2 4.44Å; F781-W811 AromaticContact CE2-CZ3 3.83Å; F781-W811 HydrophobicContact CE2-CZ3 3.83Å; F781-W811 AromaticContact CZ-CH2 3.24Å; F781-W811 HydrophobicContact CZ-CH2 3.24Å; F781-W811 AromaticContact CZ-CZ2 3.93Å; F781-W811 HydrophobicContact CZ-CZ2 3.93Å; F781-W811 HydrophobicContact CZ-CZ3 4.13Å; F781-V821 HydrophobicContact CE2-CG1 3.72Å; F781-V821 HydrophobicContact CZ-CG1 3.59Å
782	E	96.5	Very high	94.4	Very high	82 Å²	82	45.6 Å²	45.6	38%	0.383	23%	0.226	S	C	.	.	H	α-helix	trans	-64.4	-38	174.9	-174.5	57.2	-163.3	0	0	112.2	D778 F779 L780 R785 T786	D778-E782 PolarHBondContact O-N 3.05Å; F779-E782 PolarHBondContact O-N 3.25Å; L780-E782 VanDerWaalsContact C-N 3.32Å; L780-E782 PolarHBondContact O-N 2.99Å; E782-R785 PolarHBondContact O-N 3.12Å; E782-R785 IonicContact OE2-CZ 3.44Å; E782-R785 IonicContact OE2-NH1 2.69Å; E782-R785 PolarHBondContact OE2-NH1 2.97Å; E782-T786 WeakPolarHBondContact O-CG2 3.1Å; E782-T786 PolarHBondContact O-N 3.35Å; E782-T786 PolarHBondContact O-OG1 2.64Å
783	K	96.1	Very high	94.4	Very high	36 Å²	36	44.6 Å²	44.6	16%	0.157	22%	0.223	C	C	.	.	H	α-helix	trans	-68.3	-34.4	173.1	-61.2	-59.4	171.7	-173.3	0	112.7	W749 D753 F779 L780 F781 R785 T786 T787 I796	W749-K783 HydrophobicContact CH2-CB 4.17Å; W749-K783 HydrophobicContact CH2-CG 3.79Å; W749-K783 HydrophobicContact CZ2-CG 4.25Å; D753-K783 WeakPolarHBondContact O-CE 3.17Å; D753-K783 PolarHBondContact O-NZ 3.42Å; D753-K783 WeakPolarHBondContact OD1-CE 3.41Å; D753-K783 IonicContact OD1-NZ 2.71Å; D753-K783 PolarHBondContact OD1-NZ 2.95Å; D753-K783 IonicContact OD2-NZ 3.86Å; D753-K783 PolarHBondContact OD2-NZ 2.87Å; F779-K783 HydrophobicContact CE1-CG 4.17Å; F779-K783 HydrophobicContact CZ-CD 4.41Å; F779-K783 HydrophobicContact CZ-CG 4.23Å; F779-K783 WeakPolarHBondContact O-CG 3.48Å; F779-K783 PolarHBondContact O-N 3.3Å; F779-K783 VanDerWaalsContact O-N 3.11Å; L780-K783 CarbonylContact O-C 3.04Å; L780-K783 PolarHBondContact O-N 2.72Å; L780-K783 VanDerWaalsContact O-N 3.13Å; F781-K783 VanDerWaalsContact C-N 3.33Å; F781-K783 PolarHBondContact O-N 3.16Å; K783-R785 VanDerWaalsContact C-N 3.31Å; K783-R785 PolarHBondContact O-N 3.23Å; K783-T786 PolarHBondContact O-N 3.15Å; K783-T786 PolarHBondContact O-OG1 3.06Å; K783-T787 WeakPolarHBondContact O-CB 3.46Å; K783-T787 WeakPolarHBondContact O-CG2 3.38Å; K783-T787 PolarHBondContact O-N 2.95Å; K783-I796 HydrophobicContact CB-CD1 3.98Å
784	Y	95.7	Very high	94.3	Very high	1 Å²	1	43.9 Å²	43.9	0%	0.004	22%	0.221	C	C	.	.	H	α-helix	trans	-60.9	-38.4	172.3	169.2	-86.8	0	0	0	112.5	L780 F781 K793 K797 M800 M822	L780-Y784 PolarHBondContact O-N 3.17Å; F781-Y784 HydrophobicContact CD2-CD1 4.25Å; F781-Y784 HydrophobicContact CE2-CD1 4.19Å; F781-Y784 WeakPolarHBondContact O-CB 3.02Å; F781-Y784 PolarHBondContact O-N 3.11Å; Y784-K793 HydrophobicContact CD2-CB 4.48Å; Y784-K793 HydrophobicContact CD2-CD 4.34Å; Y784-K793 HydrophobicContact CD2-CG 3.39Å; Y784-K793 WeakPolarHBondContact CD2-O 3.5Å; Y784-K793 HydrophobicContact CE2-CD 3.98Å; Y784-K793 VanDerWaalsContact CE2-CE 3.41Å; Y784-K793 HydrophobicContact CE2-CG 3.26Å; Y784-K793 HydrophobicContact CG-CG 4.22Å; Y784-K793 WeakPolarHBondContact O-CE 3.29Å; Y784-K793 VanDerWaalsContact OH-CE 3.31Å; Y784-K793 WeakPolarHBondContact OH-CE 3.17Å; Y784-K797 HydrophobicContact CD2-CB 4.28Å; Y784-K797 HydrophobicContact CE2-CB 3.99Å; Y784-M800 HydrophobicContact CD2-CE 4.34Å; Y784-M800 HydrophobicContact CG-CE 4.24Å; Y784-M822 HydrophobicContact CE1-CE 4.42Å; Y784-M822 WeakPolarHBondContact OH-CG 3.06Å
785	R	92.4	Very high	94.2	Very high	144 Å²	144	42.8 Å²	42.8	54%	0.543	21%	0.21	S	C	.	.	H	α-helix	trans	-71.9	-33.5	-180	-70.1	173.7	71.4	-156.1	6.6	113.3	F781 E782 K783	F781-R785 HydrophobicContact CE1-CG 4.3Å; F781-R785 HydrophobicContact CE2-CG 3.92Å; F781-R785 VanDerWaalsContact CZ-CD 3.47Å; F781-R785 HydrophobicContact CZ-CG 3.8Å; F781-R785 WeakPolarHBondContact O-CG 3.43Å; F781-R785 PolarHBondContact O-N 3.33Å; F781-R785 VanDerWaalsContact O-N 3.07Å; E782-R785 PolarHBondContact O-N 3.12Å; E782-R785 IonicContact OE2-CZ 3.44Å; E782-R785 IonicContact OE2-NH1 2.69Å; E782-R785 PolarHBondContact OE2-NH1 2.97Å; K783-R785 VanDerWaalsContact C-N 3.31Å; K783-R785 PolarHBondContact O-N 3.23Å
786	T	90.3	Very high	94.2	Very high	85 Å²	85	37 Å²	37	52%	0.521	18%	0.183	S	C	.	.	H	α-helix	trans	-97	-21.9	-170.2	50.2	0	0	0	0	113.7	E782 K783	E782-T786 WeakPolarHBondContact O-CG2 3.1Å; E782-T786 PolarHBondContact O-N 3.35Å; E782-T786 PolarHBondContact O-OG1 2.64Å; K783-T786 PolarHBondContact O-N 3.15Å; K783-T786 PolarHBondContact O-OG1 3.06Å
787	T	90.6	Very high	94.2	Very high	30 Å²	30	37.3 Å²	37.3	18%	0.184	18%	0.184	C	C	.	.			trans	-71	137.2	-179.5	-171.2	0	0	0	0	113.1	K783 Q789 K793	K783-T787 WeakPolarHBondContact O-CB 3.46Å; K783-T787 WeakPolarHBondContact O-CG2 3.38Å; K783-T787 PolarHBondContact O-N 2.95Å; T787-Q789 PolarHBondContact OG1-N 2.98Å; T787-K793 HydrophobicContact CG2-CB 3.79Å; T787-K793 HydrophobicContact CG2-CD 4.46Å; T787-K793 HydrophobicContact CG2-CG 4.18Å
788	L	87.5	Confident	94	Very high	68 Å²	68	38.9 Å²	38.9	36%	0.356	20%	0.195	S	C	.	.			trans	-91.9	-8.4	170.9	-63.6	176.4	0	0	0	112.8	D264 K265 Q268	D264-L788 HydrophobicContact CB-CD1 4.33Å; K265-L788 WeakPolarHBondContact CE-O 3.1Å; Q268-L788 PolarHBondContact NE2-O 3.07Å
789	Q	89.6	Confident	94	Very high	39 Å²	39	35.4 Å²	35.4	18%	0.182	18%	0.177	C	C	.	.			trans	-91.1	115.9	-177.8	-70.7	165.9	4.3	0	0	110.7	D325 T787 S791 V792 K793	D325-Q789 VanDerWaalsContact OD2-CD 3.27Å; D325-Q789 PolarHBondContact OD2-NE2 3.43Å; T787-Q789 PolarHBondContact OG1-N 2.98Å; Q789-S791 PolarHBondContact O-N 3.5Å; Q789-V792 HydrophobicContact CB-CB 4.11Å; Q789-V792 HydrophobicContact CB-CG2 3.99Å; Q789-V792 PolarHBondContact O-N 2.99Å; Q789-V792 VanDerWaalsContact OE1-CG2 3.28Å; Q789-K793 WeakPolarHBondContact O-CB 3.5Å; Q789-K793 PolarHBondContact O-N 3Å
790	M	90.1	Very high	94	Very high	14 Å²	14	33.8 Å²	33.8	7%	0.069	17%	0.17	C	C	.	.	H	α-helix	trans	-72.5	-32.1	-172.4	-63.7	-54.5	-65.3	0	0	113.3	K265 E319 T320 K793 S794	K265-M790 PolarHBondContact NZ-SD 3.02Å; K265-M790 VanDerWaalsContact NZ-SD 3.35Å; E319-M790 HydrophobicContact CB-CB 4.41Å; E319-M790 HydrophobicContact CB-CG 3.78Å; E319-M790 WeakPolarHBondContact OE2-CE 3.27Å; E319-M790 WeakPolarHBondContact OE2-CG 3.31Å; T320-M790 HydrophobicContact CG2-CB 3.8Å; M790-K793 HydrophobicContact CE-CD 4.17Å; M790-K793 PolarHBondContact O-N 2.84Å; M790-K793 HydrophobicContact SD-CD 4.04Å; M790-S794 WeakPolarHBondContact O-CB 3.29Å; M790-S794 PolarHBondContact O-N 3.24Å
791	S	89	Confident	93.9	Very high	8 Å²	8	34 Å²	34	6%	0.056	17%	0.171	C	C	.	.	H	α-helix	trans	-65	-40.1	173.5	57.3	0	0	0	0	112.5	S329 Q789 R795	S329-S791 WeakPolarHBondContact OG-CB 3.32Å; S329-S791 PolarHBondContact OG-OG 2.79Å; Q789-S791 PolarHBondContact O-N 3.5Å; S791-R795 PolarHBondContact O-N 2.84Å; S791-R795 VanDerWaalsContact O-N 3.16Å; S791-R795 PolarHBondContact O-NE 3.39Å
792	V	92.7	Very high	93.7	Very high	17 Å²	17	35.4 Å²	35.4	10%	0.103	18%	0.182	C	C	.	.	H	α-helix	trans	-67.2	-46.3	172.8	177.4	0	0	0	0	110.4	R328 Q789 S794 R795 I796	R328-V792 HydrophobicContact CB-CG2 4.08Å; Q789-V792 HydrophobicContact CB-CB 4.11Å; Q789-V792 HydrophobicContact CB-CG2 3.99Å; Q789-V792 PolarHBondContact O-N 2.99Å; Q789-V792 VanDerWaalsContact OE1-CG2 3.28Å; V792-S794 VanDerWaalsContact C-N 3.3Å; V792-S794 PolarHBondContact O-N 2.97Å; V792-R795 PolarHBondContact O-N 3.37Å; V792-I796 HydrophobicContact CG1-CD1 3.77Å; V792-I796 HydrophobicContact CG1-CG1 4.3Å; V792-I796 WeakPolarHBondContact O-CG1 3.44Å; V792-I796 PolarHBondContact O-N 2.82Å
793	K	94.1	Very high	93.6	Very high	38 Å²	38	31.6 Å²	31.6	17%	0.165	16%	0.164	C	C	.	.	H	α-helix	trans	-56.5	-44.8	178.4	-165.9	167.8	-177.8	169.2	0	111.9	Y784 T787 Q789 M790 I796 K797	Y784-K793 HydrophobicContact CD2-CB 4.48Å; Y784-K793 HydrophobicContact CD2-CD 4.34Å; Y784-K793 HydrophobicContact CD2-CG 3.39Å; Y784-K793 WeakPolarHBondContact CD2-O 3.5Å; Y784-K793 HydrophobicContact CE2-CD 3.98Å; Y784-K793 VanDerWaalsContact CE2-CE 3.41Å; Y784-K793 HydrophobicContact CE2-CG 3.26Å; Y784-K793 HydrophobicContact CG-CG 4.22Å; Y784-K793 WeakPolarHBondContact O-CE 3.29Å; Y784-K793 VanDerWaalsContact OH-CE 3.31Å; Y784-K793 WeakPolarHBondContact OH-CE 3.17Å; T787-K793 HydrophobicContact CG2-CB 3.79Å; T787-K793 HydrophobicContact CG2-CD 4.46Å; T787-K793 HydrophobicContact CG2-CG 4.18Å; Q789-K793 WeakPolarHBondContact O-CB 3.5Å; Q789-K793 PolarHBondContact O-N 3Å; M790-K793 HydrophobicContact CE-CD 4.17Å; M790-K793 PolarHBondContact O-N 2.84Å; M790-K793 HydrophobicContact SD-CD 4.04Å; K793-I796 PolarHBondContact O-N 3.01Å; K793-K797 WeakPolarHBondContact O-CB 3.18Å; K793-K797 PolarHBondContact O-N 3.22Å
794	S	93.5	Very high	93.6	Very high	45 Å²	45	35.4 Å²	35.4	32%	0.315	18%	0.178	S	C	.	.	H	α-helix	trans	-61.2	-48.5	176.1	-172.1	0	0	0	0	112	M790 V792 I796 K797 S798	M790-S794 WeakPolarHBondContact O-CB 3.29Å; M790-S794 PolarHBondContact O-N 3.24Å; V792-S794 VanDerWaalsContact C-N 3.3Å; V792-S794 PolarHBondContact O-N 2.97Å; S794-I796 PolarHBondContact O-N 2.88Å; S794-K797 WeakPolarHBondContact O-CB 3.34Å; S794-K797 PolarHBondContact O-N 3.3Å; S794-S798 PolarHBondContact O-N 2.88Å; S794-S798 PolarHBondContact O-OG 3.13Å
795	R	94.4	Very high	93.6	Very high	30 Å²	30	36.4 Å²	36.4	11%	0.113	18%	0.184	C	C	.	.	H	α-helix	trans	-62	-41.3	177.5	-76.8	179.5	-68	166.4	-0.9	113.1	R328 V760 M764 S791 V792 S798 A799	R328-R795 PolarHBondContact O-NH2 3.43Å; V760-R795 PolarHBondContact O-NH1 3.06Å; M764-R795 HydrophobicContact SD-CB 4.48Å; S791-R795 PolarHBondContact O-N 2.84Å; S791-R795 VanDerWaalsContact O-N 3.16Å; S791-R795 PolarHBondContact O-NE 3.39Å; V792-R795 PolarHBondContact O-N 3.37Å; R795-S798 PolarHBondContact O-N 3.13Å; R795-A799 VanDerWaalsContact O-CB 3.32Å; R795-A799 WeakPolarHBondContact O-CB 3.22Å; R795-A799 PolarHBondContact O-N 2.67Å
796	I	97.2	Very high	93.8	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-63.2	-46.5	175.6	-65.2	171.2	0	0	0	110.3	F767 L780 K783 V792 K793 S794 S798 A799 M800	F767-I796 HydrophobicContact CD2-CG1 3.81Å; F767-I796 HydrophobicContact CE2-CD1 4.29Å; F767-I796 HydrophobicContact CE2-CG1 3.49Å; F767-I796 VanDerWaalsContact CE2-CG1 3.49Å; F767-I796 HydrophobicContact CZ-CG1 4.29Å; L780-I796 HydrophobicContact CB-CG2 3.94Å; L780-I796 HydrophobicContact CD2-CG1 4.24Å; L780-I796 HydrophobicContact CD2-CG2 4.17Å; L780-I796 WeakPolarHBondContact O-CG2 3.21Å; K783-I796 HydrophobicContact CB-CD1 3.98Å; V792-I796 HydrophobicContact CG1-CD1 3.77Å; V792-I796 HydrophobicContact CG1-CG1 4.3Å; V792-I796 WeakPolarHBondContact O-CG1 3.44Å; V792-I796 PolarHBondContact O-N 2.82Å; K793-I796 PolarHBondContact O-N 3.01Å; S794-I796 PolarHBondContact O-N 2.88Å; I796-S798 PolarHBondContact O-N 2.81Å; I796-A799 PolarHBondContact O-N 3.39Å; I796-M800 HydrophobicContact CG2-CE 3.87Å; I796-M800 HydrophobicContact CG2-CG 4.28Å; I796-M800 HydrophobicContact CG2-SD 4.02Å; I796-M800 WeakPolarHBondContact O-CG 3.46Å; I796-M800 PolarHBondContact O-N 3.34Å
797	K	96.9	Very high	94.2	Very high	6 Å²	6	36.1 Å²	36.1	3%	0.026	18%	0.184	C	C	.	.	H	α-helix	trans	-52	-54	175.2	180	-171.7	66.8	167.8	0	110.8	Y784 K793 S794 A799 M800 T801 M822 D826 D829 V830	Y784-K797 HydrophobicContact CD2-CB 4.28Å; Y784-K797 HydrophobicContact CE2-CB 3.99Å; K793-K797 WeakPolarHBondContact O-CB 3.18Å; K793-K797 PolarHBondContact O-N 3.22Å; S794-K797 WeakPolarHBondContact O-CB 3.34Å; S794-K797 PolarHBondContact O-N 3.3Å; K797-A799 PolarHBondContact O-N 3.38Å; K797-M800 PolarHBondContact O-N 3.35Å; K797-T801 PolarHBondContact O-N 3.23Å; K797-M822 HydrophobicContact CD-SD 4.44Å; K797-M822 HydrophobicContact CG-CE 4.49Å; K797-M822 HydrophobicContact CG-SD 4.39Å; K797-D826 HydrophobicContact CD-CB 3.83Å; K797-D826 IonicContact NZ-OD1 3.53Å; K797-D826 PolarHBondContact NZ-OD1 3.04Å; K797-D829 IonicContact NZ-OD2 3.5Å; K797-D829 PolarHBondContact NZ-OD2 3.27Å; K797-D829 VanDerWaalsContact NZ-OD2 3.08Å; K797-V830 HydrophobicContact CD-CG2 3.96Å; K797-V830 HydrophobicContact CG-CG2 4.11Å
798	S	95.8	Very high	94.5	Very high	36 Å²	36	36.5 Å²	36.5	25%	0.252	18%	0.183	S	C	.	.	H	α-helix	trans	-64.6	-36.1	-179.7	-59.6	0	0	0	0	113	S794 R795 I796 T801	S794-S798 PolarHBondContact O-N 2.88Å; S794-S798 PolarHBondContact O-OG 3.13Å; R795-S798 PolarHBondContact O-N 3.13Å; I796-S798 PolarHBondContact O-N 2.81Å; S798-T801 PolarHBondContact O-N 3.49Å; S798-T801 PolarHBondContact O-OG1 2.83Å
799	A	97.1	Very high	95	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-66.8	-40.9	177.6	0	0	0	0	0	111.9	M764 F767 V768 R795 I796 K797 T801 V802	M764-A799 HydrophobicContact CE-CB 4.42Å; M764-A799 HydrophobicContact SD-CB 4.2Å; F767-A799 HydrophobicContact CB-CB 3.51Å; V768-A799 HydrophobicContact CG2-CB 3.92Å; R795-A799 VanDerWaalsContact O-CB 3.32Å; R795-A799 WeakPolarHBondContact O-CB 3.22Å; R795-A799 PolarHBondContact O-N 2.67Å; I796-A799 PolarHBondContact O-N 3.39Å; K797-A799 PolarHBondContact O-N 3.38Å; A799-T801 VanDerWaalsContact C-N 3.25Å; A799-T801 PolarHBondContact O-N 3.39Å; A799-V802 PolarHBondContact O-N 3.45Å; A799-V802 VanDerWaalsContact O-N 3.17Å
800	M	97.7	Very high	95.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-64.3	-26.2	-179.9	-74.1	-174.4	-52.7	0	0	113.4	W777 L780 F781 Y784 I796 K797 V802 T803 M812	W777-M800 HydrophobicContact CD2-SD 4.47Å; W777-M800 HydrophobicContact CZ2-CB 4.42Å; W777-M800 HydrophobicContact CZ2-SD 4.15Å; W777-M800 PolarHBondContact NE1-O 3.19Å; L780-M800 HydrophobicContact CB-CG 4.13Å; L780-M800 HydrophobicContact CB-SD 4.16Å; F781-M800 HydrophobicContact CB-SD 3.76Å; F781-M800 HydrophobicContact CD2-CE 4.47Å; F781-M800 HydrophobicContact CD2-SD 4.47Å; Y784-M800 HydrophobicContact CD2-CE 4.34Å; Y784-M800 HydrophobicContact CG-CE 4.24Å; I796-M800 HydrophobicContact CG2-CE 3.87Å; I796-M800 HydrophobicContact CG2-CG 4.28Å; I796-M800 HydrophobicContact CG2-SD 4.02Å; I796-M800 WeakPolarHBondContact O-CG 3.46Å; I796-M800 PolarHBondContact O-N 3.34Å; K797-M800 PolarHBondContact O-N 3.35Å; M800-V802 VanDerWaalsContact C-N 3.27Å; M800-V802 PolarHBondContact O-N 3.26Å; M800-T803 VanDerWaalsContact O-CG2 3.29Å; M800-T803 WeakPolarHBondContact O-CG2 3.33Å; M800-M812 HydrophobicContact CB-CE 3.74Å; M800-M812 HydrophobicContact CB-SD 3.76Å; M800-M812 HydrophobicContact CE-CE 4.09Å
801	T	96.8	Very high	95.8	Very high	5 Å²	5	39.5 Å²	39.5	3%	0.031	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-11.1	176.9	55.4	0	0	0	0	114.2	K797 S798 A799 T803 L809 M812 V830 S833 V834 N837	K797-T801 PolarHBondContact O-N 3.23Å; S798-T801 PolarHBondContact O-N 3.49Å; S798-T801 PolarHBondContact O-OG1 2.83Å; A799-T801 VanDerWaalsContact C-N 3.25Å; A799-T801 PolarHBondContact O-N 3.39Å; T801-T803 VanDerWaalsContact C-N 3.33Å; T801-L809 VanDerWaalsContact O-CD2 3.24Å; T801-L809 WeakPolarHBondContact O-CD2 3.38Å; T801-M812 HydrophobicContact CG2-CE 3.54Å; T801-M812 HydrophobicContact CG2-SD 4.02Å; T801-V830 HydrophobicContact CG2-CG1 4.4Å; T801-S833 VanDerWaalsContact OG1-CB 3.27Å; T801-S833 WeakPolarHBondContact OG1-CB 3.35Å; T801-V834 HydrophobicContact CG2-CG2 4.3Å; T801-N837 PolarHBondContact O-ND2 2.97Å
802	V	93.7	Very high	96.2	Very high	59 Å²	59	39.1 Å²	39.1	36%	0.358	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-6.5	179.8	-174.5	0	0	0	0	112.2	V768 A799 M800	V768-V802 HydrophobicContact CG1-CB 4.12Å; V768-V802 HydrophobicContact CG1-CG1 3.71Å; V768-V802 HydrophobicContact CG2-CB 4.38Å; V768-V802 HydrophobicContact CG2-CG2 4.1Å; A799-V802 PolarHBondContact O-N 3.45Å; A799-V802 VanDerWaalsContact O-N 3.17Å; M800-V802 VanDerWaalsContact C-N 3.27Å; M800-V802 PolarHBondContact O-N 3.26Å
803	T	95.6	Very high	96.5	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.006	18%	0.183	C	C	.	.			trans	-60.2	153.3	-178.9	-166.6	0	0	0	0	113.1	A771 M800 T801 L805 K808 L809 N837	A771-T803 VanDerWaalsContact O-CB 3.31Å; A771-T803 WeakPolarHBondContact O-CB 3.47Å; A771-T803 PolarHBondContact O-OG1 2.84Å; M800-T803 VanDerWaalsContact O-CG2 3.29Å; M800-T803 WeakPolarHBondContact O-CG2 3.33Å; T801-T803 VanDerWaalsContact C-N 3.33Å; T803-L805 VanDerWaalsContact C-N 3.31Å; T803-L805 HydrophobicContact CG2-CB 4.05Å; T803-L805 WeakPolarHBondContact OG1-CG 3.35Å; T803-L805 PolarHBondContact OG1-N 3.27Å; T803-K808 HydrophobicContact CG2-CB 4.25Å; T803-L809 HydrophobicContact CG2-CD2 3.65Å; T803-L809 HydrophobicContact CG2-CG 3.97Å; T803-N837 PolarHBondContact O-ND2 3.23Å
804	Y	94.8	Very high	96.7	Very high	116 Å²	116	40.1 Å²	40.1	46%	0.455	19%	0.192	S	C	.	.	S	Bend	trans	-85.2	-6	170.8	58.5	-103.7	0	0	0	112.8	R772 K806	R772-Y804 HydrophobicContact CB-CD1 4.46Å; R772-Y804 HydrophobicContact CB-CE1 3.93Å; R772-Y804 WeakPolarHBondContact O-CE1 3.28Å; R772-Y804 PolarHBondContact O-OH 3.33Å; Y804-K806 PolarHBondContact O-N 2.91Å; Y804-K806 VanDerWaalsContact O-N 3.13Å
805	L	96.1	Very high	96.9	Very high	23 Å²	23	39.6 Å²	39.6	12%	0.12	18%	0.184	C	C	.	.			trans	-76.6	94.3	-178	-58.1	173.8	0	0	0	111	P774 T803 D807 K808 L809	P774-L805 HydrophobicContact CB-CD1 4.29Å; P774-L805 HydrophobicContact CG-CD1 4.01Å; P774-L805 HydrophobicContact CG-CD2 4.2Å; T803-L805 VanDerWaalsContact C-N 3.31Å; T803-L805 HydrophobicContact CG2-CB 4.05Å; T803-L805 WeakPolarHBondContact OG1-CG 3.35Å; T803-L805 PolarHBondContact OG1-N 3.27Å; L805-D807 VanDerWaalsContact C-N 3.28Å; L805-D807 PolarHBondContact O-N 3.15Å; L805-K808 HydrophobicContact CB-CB 4.02Å; L805-K808 HydrophobicContact CB-CG 3.73Å; L805-K808 HydrophobicContact CD1-CG 4.01Å; L805-K808 WeakPolarHBondContact O-CB 3.42Å; L805-K808 PolarHBondContact O-N 2.75Å; L805-L809 PolarHBondContact O-N 2.71Å; L805-L809 VanDerWaalsContact O-N 3.09Å
806	K	96.8	Very high	97	Very high	121 Å²	121	38.1 Å²	38.1	53%	0.526	18%	0.179	S	C	.	.	H	α-helix	trans	-58.7	-34.9	-174.8	-69.1	-173.6	179.4	-177.4	0	114.2	Y804 K808 L809 K810 H839 L843	Y804-K806 PolarHBondContact O-N 2.91Å; Y804-K806 VanDerWaalsContact O-N 3.13Å; K806-K808 VanDerWaalsContact C-N 3.35Å; K806-L809 PolarHBondContact O-N 3.45Å; K806-K810 WeakPolarHBondContact O-CB 3Å; K806-K810 PolarHBondContact O-N 3.4Å; K806-H839 WeakPolarHBondContact CE-O 3.41Å; K806-L843 HydrophobicContact CB-CD1 4.02Å; K806-L843 HydrophobicContact CG-CD1 4.24Å
807	D	97.4	Very high	97	Very high	102 Å²	102	39.8 Å²	39.8	55%	0.545	19%	0.188	S	C	.	.	H	α-helix	trans	-62.6	-41.9	175.5	61.8	-54.7	0	0	0	111.4	L805 W811	L805-D807 VanDerWaalsContact C-N 3.28Å; L805-D807 PolarHBondContact O-N 3.15Å; D807-W811 VanDerWaalsContact O-CB 3.28Å; D807-W811 WeakPolarHBondContact O-CB 3.14Å; D807-W811 PolarHBondContact O-N 2.95Å
808	K	97.9	Very high	96.9	Very high	37 Å²	37	44.2 Å²	44.2	16%	0.161	21%	0.21	C	C	.	.	H	α-helix	trans	-68	-42	176.4	-59	-63.4	-173.6	167.6	0	112.1	W777 D778 T803 L805 K806 K810 W811 M812	W777-K808 HydrophobicContact CD2-CB 4.21Å; W777-K808 HydrophobicContact CD2-CD 3.94Å; W777-K808 HydrophobicContact CD2-CG 4.03Å; W777-K808 HydrophobicContact CE3-CD 3.65Å; W777-K808 HydrophobicContact CE3-CG 4.26Å; W777-K808 HydrophobicContact CG-CG 4.44Å; W777-K808 HydrophobicContact CH2-CB 4.47Å; W777-K808 HydrophobicContact CH2-CD 3.99Å; W777-K808 HydrophobicContact CZ2-CB 3.91Å; W777-K808 HydrophobicContact CZ2-CD 4.23Å; W777-K808 HydrophobicContact CZ2-CG 4.44Å; W777-K808 HydrophobicContact CZ3-CD 3.7Å; D778-K808 IonicContact OD1-NZ 3.95Å; D778-K808 PolarHBondContact OD1-NZ 3.11Å; D778-K808 IonicContact OD2-NZ 3.48Å; T803-K808 HydrophobicContact CG2-CB 4.25Å; L805-K808 HydrophobicContact CB-CB 4.02Å; L805-K808 HydrophobicContact CB-CG 3.73Å; L805-K808 HydrophobicContact CD1-CG 4.01Å; L805-K808 WeakPolarHBondContact O-CB 3.42Å; L805-K808 PolarHBondContact O-N 2.75Å; K806-K808 VanDerWaalsContact C-N 3.35Å; K808-K810 PolarHBondContact O-N 3.37Å; K808-W811 PolarHBondContact O-N 3.11Å; K808-M812 WeakPolarHBondContact O-CG 3.41Å; K808-M812 PolarHBondContact O-N 3.44Å
809	L	98.3	Very high	96.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59.9	-46.7	175.9	-62.5	176.8	0	0	0	111.6	T801 T803 L805 K806 M812 M813 V834 L843	T801-L809 VanDerWaalsContact O-CD2 3.24Å; T801-L809 WeakPolarHBondContact O-CD2 3.38Å; T803-L809 HydrophobicContact CG2-CD2 3.65Å; T803-L809 HydrophobicContact CG2-CG 3.97Å; L805-L809 PolarHBondContact O-N 2.71Å; L805-L809 VanDerWaalsContact O-N 3.09Å; K806-L809 PolarHBondContact O-N 3.45Å; L809-M812 PolarHBondContact O-N 3.39Å; L809-M813 PolarHBondContact O-N 3.38Å; L809-V834 HydrophobicContact CB-CG1 4.16Å; L809-V834 HydrophobicContact CB-CG2 4.36Å; L809-V834 HydrophobicContact CD2-CG2 4.14Å; L809-L843 HydrophobicContact CB-CD1 4.48Å
810	K	98.1	Very high	96.5	Very high	109 Å²	109	51.3 Å²	51.3	47%	0.474	25%	0.245	S	C	.	.	H	α-helix	trans	-60.7	-47.7	176	-179.9	175	171.9	176.3	0	111.2	K806 K808 M812 M813 E814	K806-K810 WeakPolarHBondContact O-CB 3Å; K806-K810 PolarHBondContact O-N 3.4Å; K808-K810 PolarHBondContact O-N 3.37Å; K810-M812 VanDerWaalsContact C-N 3.32Å; K810-M812 PolarHBondContact O-N 2.9Å; K810-M813 PolarHBondContact O-N 3.32Å; K810-E814 WeakPolarHBondContact CE-OE1 3.48Å; K810-E814 IonicContact NZ-OE1 3.92Å; K810-E814 WeakPolarHBondContact O-CG 3.42Å; K810-E814 PolarHBondContact O-N 3.29Å; K810-E814 VanDerWaalsContact O-N 3.07Å
811	W	97.9	Very high	96.2	Very high	75 Å²	75	53.7 Å²	53.7	28%	0.284	26%	0.26	S	S	.	.	H	α-helix	trans	-58.2	-42.1	178.7	-179.8	89.8	0	0	0	112.1	W777 F781 D807 K808 M813 E814 Q815 V821	W777-W811 AromaticContact CH2-CE3 3.69Å; W777-W811 HydrophobicContact CH2-CE3 3.69Å; W777-W811 AromaticContact CH2-CZ3 3.72Å; W777-W811 HydrophobicContact CH2-CZ3 3.72Å; W777-W811 HydrophobicContact CZ2-CE3 4.32Å; W777-W811 HydrophobicContact CZ2-CZ3 4.48Å; F781-W811 HydrophobicContact CD2-CH2 4.06Å; F781-W811 HydrophobicContact CD2-CZ3 4.15Å; F781-W811 AromaticContact CE1-CH2 3.88Å; F781-W811 HydrophobicContact CE1-CH2 3.88Å; F781-W811 HydrophobicContact CE1-CZ2 4.31Å; F781-W811 AromaticContact CE2-CH2 3.35Å; F781-W811 HydrophobicContact CE2-CH2 3.35Å; F781-W811 HydrophobicContact CE2-CZ2 4.44Å; F781-W811 AromaticContact CE2-CZ3 3.83Å; F781-W811 HydrophobicContact CE2-CZ3 3.83Å; F781-W811 AromaticContact CZ-CH2 3.24Å; F781-W811 HydrophobicContact CZ-CH2 3.24Å; F781-W811 AromaticContact CZ-CZ2 3.93Å; F781-W811 HydrophobicContact CZ-CZ2 3.93Å; F781-W811 HydrophobicContact CZ-CZ3 4.13Å; D807-W811 VanDerWaalsContact O-CB 3.28Å; D807-W811 WeakPolarHBondContact O-CB 3.14Å; D807-W811 PolarHBondContact O-N 2.95Å; K808-W811 PolarHBondContact O-N 3.11Å; W811-M813 PolarHBondContact O-N 3.26Å; W811-E814 PolarHBondContact O-N 3.11Å; W811-Q815 HydrophobicContact CD2-CG 3.69Å; W811-Q815 HydrophobicContact CE3-CG 3.98Å; W811-Q815 HydrophobicContact CG-CG 4.34Å; W811-Q815 HydrophobicContact CH2-CB 4.34Å; W811-Q815 HydrophobicContact CH2-CG 3.59Å; W811-Q815 HydrophobicContact CZ2-CG 3.35Å; W811-Q815 HydrophobicContact CZ3-CB 4.45Å; W811-Q815 HydrophobicContact CZ3-CG 3.92Å; W811-Q815 WeakPolarHBondContact O-CG 3.43Å; W811-Q815 PolarHBondContact O-N 3.49Å; W811-V821 HydrophobicContact CH2-CG1 4.25Å
812	M	98.1	Very high	96.1	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-60.4	-46.6	177.9	-72.6	-178.9	76.5	0	0	112.3	W777 M800 T801 K808 L809 K810 E814 Q815 S816 M822 V830	W777-M812 HydrophobicContact CH2-CG 4.48Å; W777-M812 HydrophobicContact CZ2-CG 3.77Å; W777-M812 HydrophobicContact CZ2-SD 3.82Å; M800-M812 HydrophobicContact CB-CE 3.74Å; M800-M812 HydrophobicContact CB-SD 3.76Å; M800-M812 HydrophobicContact CE-CE 4.09Å; T801-M812 HydrophobicContact CG2-CE 3.54Å; T801-M812 HydrophobicContact CG2-SD 4.02Å; K808-M812 WeakPolarHBondContact O-CG 3.41Å; K808-M812 PolarHBondContact O-N 3.44Å; L809-M812 PolarHBondContact O-N 3.39Å; K810-M812 VanDerWaalsContact C-N 3.32Å; K810-M812 PolarHBondContact O-N 2.9Å; M812-E814 PolarHBondContact O-N 3.49Å; M812-Q815 PolarHBondContact O-N 3.05Å; M812-S816 WeakPolarHBondContact O-CB 3.42Å; M812-S816 PolarHBondContact O-N 3.36Å; M812-S816 PolarHBondContact O-OG 2.85Å; M812-M822 HydrophobicContact CE-CE 3.91Å; M812-V830 HydrophobicContact CB-CG1 3.97Å
813	M	98.3	Very high	96.1	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-60.7	-45.8	177.4	-67.4	-174.8	-66.4	0	0	111.1	L809 K810 W811 Q815 S816 L817 V830 V831 V834 L843 A844 F847	L809-M813 PolarHBondContact O-N 3.38Å; K810-M813 PolarHBondContact O-N 3.32Å; W811-M813 PolarHBondContact O-N 3.26Å; M813-Q815 PolarHBondContact O-N 3.31Å; M813-S816 WeakPolarHBondContact CA-OG 3.44Å; M813-S816 PolarHBondContact O-N 3.4Å; M813-S816 PolarHBondContact O-OG 3.03Å; M813-L817 PolarHBondContact O-N 3Å; M813-V830 HydrophobicContact CG-CG1 4.06Å; M813-V831 HydrophobicContact CG-CG2 4.17Å; M813-V831 HydrophobicContact SD-CG2 4.3Å; M813-V834 HydrophobicContact CE-CG1 3.94Å; M813-V834 HydrophobicContact CG-CG2 4.15Å; M813-V834 HydrophobicContact SD-CB 4.04Å; M813-V834 HydrophobicContact SD-CG1 3.88Å; M813-V834 HydrophobicContact SD-CG2 4.28Å; M813-L843 HydrophobicContact CE-CB 3.97Å; M813-A844 HydrophobicContact SD-CB 4.22Å; M813-F847 HydrophobicContact CB-CD1 4.16Å; M813-F847 HydrophobicContact CB-CD2 3.91Å; M813-F847 HydrophobicContact CB-CE1 4.02Å; M813-F847 HydrophobicContact CB-CE2 3.77Å; M813-F847 HydrophobicContact CB-CG 4.1Å; M813-F847 HydrophobicContact CB-CZ 3.82Å; M813-F847 HydrophobicContact CE-CB 4.09Å; M813-F847 HydrophobicContact CE-CG 4.33Å; M813-F847 WeakPolarHBondContact O-CZ 3.44Å; M813-F847 HydrophobicContact SD-CB 4.05Å; M813-F847 HydrophobicContact SD-CD1 4.16Å; M813-F847 HydrophobicContact SD-CG 4.03Å
814	E	97.9	Very high	96.2	Very high	75 Å²	75	53.1 Å²	53.1	35%	0.35	25%	0.254	S	S	.	.	H	α-helix	trans	-60.4	-45.6	177.1	-69.8	171.9	169.2	0	0	112.3	K810 W811 M812 L817 I818 F847	K810-E814 WeakPolarHBondContact CE-OE1 3.48Å; K810-E814 IonicContact NZ-OE1 3.92Å; K810-E814 WeakPolarHBondContact O-CG 3.42Å; K810-E814 PolarHBondContact O-N 3.29Å; K810-E814 VanDerWaalsContact O-N 3.07Å; W811-E814 PolarHBondContact O-N 3.11Å; M812-E814 PolarHBondContact O-N 3.49Å; E814-L817 PolarHBondContact O-N 3.22Å; E814-I818 WeakPolarHBondContact O-CG1 3.44Å; E814-I818 PolarHBondContact O-N 2.92Å; E814-F847 HydrophobicContact CG-CE2 4.25Å
815	Q	97.6	Very high	96.2	Very high	34 Å²	34	47.9 Å²	47.9	16%	0.159	23%	0.233	C	C	.	.	H	α-helix	trans	-68.4	-36.9	179.2	-67.7	-48.7	-67.6	0	0	113.2	W811 M812 M813 L817 I818 G819	W811-Q815 HydrophobicContact CD2-CG 3.69Å; W811-Q815 HydrophobicContact CE3-CG 3.98Å; W811-Q815 HydrophobicContact CG-CG 4.34Å; W811-Q815 HydrophobicContact CH2-CB 4.34Å; W811-Q815 HydrophobicContact CH2-CG 3.59Å; W811-Q815 HydrophobicContact CZ2-CG 3.35Å; W811-Q815 HydrophobicContact CZ3-CB 4.45Å; W811-Q815 HydrophobicContact CZ3-CG 3.92Å; W811-Q815 WeakPolarHBondContact O-CG 3.43Å; W811-Q815 PolarHBondContact O-N 3.49Å; M812-Q815 PolarHBondContact O-N 3.05Å; M813-Q815 PolarHBondContact O-N 3.31Å; Q815-L817 VanDerWaalsContact C-N 3.28Å; Q815-L817 PolarHBondContact O-N 3.11Å; Q815-I818 PolarHBondContact O-N 2.83Å; Q815-G819 PolarHBondContact O-N 3.26Å
816	S	97.3	Very high	96.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-67.9	-28.8	174.8	60	0	0	0	0	112.6	M812 M813 T824 L827	M812-S816 WeakPolarHBondContact O-CB 3.42Å; M812-S816 PolarHBondContact O-N 3.36Å; M812-S816 PolarHBondContact O-OG 2.85Å; M813-S816 WeakPolarHBondContact CA-OG 3.44Å; M813-S816 PolarHBondContact O-N 3.4Å; M813-S816 PolarHBondContact O-OG 3.03Å; S816-T824 VanDerWaalsContact O-CA 3.23Å; S816-T824 WeakPolarHBondContact O-CA 3.41Å; S816-L827 WeakPolarHBondContact OG-CD1 3.31Å
817	L	96.8	Very high	96.3	Very high	36 Å²	36	41.8 Å²	41.8	19%	0.188	21%	0.207	C	C	.	.	H	α-helix	trans	-72.3	-39.2	171.8	-176.4	67.2	0	0	0	111.8	M813 E814 Q815 L827 F847 N851 T854	M813-L817 PolarHBondContact O-N 3Å; E814-L817 PolarHBondContact O-N 3.22Å; Q815-L817 VanDerWaalsContact C-N 3.28Å; Q815-L817 PolarHBondContact O-N 3.11Å; L817-L827 HydrophobicContact CB-CD1 4.27Å; L817-L827 HydrophobicContact CB-CD2 4.4Å; L817-L827 HydrophobicContact CD1-CD2 3.71Å; L817-F847 HydrophobicContact CB-CZ 3.97Å; L817-F847 HydrophobicContact CD2-CE2 4.39Å; L817-F847 HydrophobicContact CD2-CZ 3.89Å; L817-F847 HydrophobicContact CG-CZ 4.46Å; L817-N851 HydrophobicContact CD2-CB 4.11Å; L817-N851 WeakPolarHBondContact CD2-OD1 3.46Å; L817-T854 HydrophobicContact CD1-CG2 3.93Å
818	I	96	Very high	96.3	Very high	98 Å²	98	37.3 Å²	37.3	50%	0.503	18%	0.183	S	C	.	.	H	α-helix	trans	-65.4	-40.7	176.8	-68.9	164.6	0	0	0	111.6	E814 Q815 E820	E814-I818 WeakPolarHBondContact O-CG1 3.44Å; E814-I818 PolarHBondContact O-N 2.92Å; Q815-I818 PolarHBondContact O-N 2.83Å; I818-E820 HydrophobicContact CG2-CB 4.23Å; I818-E820 HydrophobicContact CG2-CG 3.97Å
819	G	94.5	Very high	96.2	Very high	21 Å²	21	38.1 Å²	38.1	22%	0.216	19%	0.189	C	C	.	.			trans	89.3	-8.2	173	0	0	0	0	0	116.4	Q815 M822 T824	Q815-G819 PolarHBondContact O-N 3.26Å; G819-M822 CarbonylContact C-O 3.56Å; G819-M822 WeakPolarHBondContact CA-O 3.43Å; G819-T824 VanDerWaalsContact CA-OG1 3.27Å; G819-T824 WeakPolarHBondContact CA-OG1 3.14Å
820	E	90.1	Very high	96.2	Very high	165 Å²	165	38.2 Å²	38.2	77%	0.771	19%	0.189	S	C	*	.	S	Bend	trans	-80.9	-48	-174.2	-70	-173.3	178.8	0	0	113.7	I818	I818-E820 HydrophobicContact CG2-CB 4.23Å; I818-E820 HydrophobicContact CG2-CG 3.97Å
821	V	90.3	Very high	96.3	Very high	50 Å²	50	33 Å²	33	30%	0.303	17%	0.167	S	C	.	.	S	Bend	trans	-90.9	-41.3	-178.9	174	0	0	0	0	110.6	F781 W811	F781-V821 HydrophobicContact CE2-CG1 3.72Å; F781-V821 HydrophobicContact CZ-CG1 3.59Å; W811-V821 HydrophobicContact CH2-CG1 4.25Å
822	M	94.1	Very high	96.3	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	15%	0.153	C	C	.	.	S	Bend	trans	-123.2	121.4	176	-175.4	171.6	-56.8	0	0	107.2	Y784 K797 M812 G819 D826 V830	Y784-M822 HydrophobicContact CE1-CE 4.42Å; Y784-M822 WeakPolarHBondContact OH-CG 3.06Å; K797-M822 HydrophobicContact CD-SD 4.44Å; K797-M822 HydrophobicContact CG-CE 4.49Å; K797-M822 HydrophobicContact CG-SD 4.39Å; M812-M822 HydrophobicContact CE-CE 3.91Å; G819-M822 CarbonylContact C-O 3.56Å; G819-M822 WeakPolarHBondContact CA-O 3.43Å; M822-D826 HydrophobicContact CG-CB 4.14Å; M822-V830 HydrophobicContact SD-CG2 3.56Å; M822-V830 VanDerWaalsContact SD-CG2 3.56Å
823	K	94.8	Very high	96.2	Very high	33 Å²	33	31.1 Å²	31.1	14%	0.143	17%	0.165	C	C	.	.			trans	-64.9	144.1	-170.9	-73.9	178.8	162.9	-110.5	0	109.9	S156 P302 D303 Q825 D826	S156-K823 PolarHBondContact O-NZ 3.2Å; P302-K823 VanDerWaalsContact C-NZ 3.28Å; P302-K823 WeakPolarHBondContact O-CD 3.48Å; P302-K823 WeakPolarHBondContact O-CE 3.41Å; P302-K823 PolarHBondContact O-NZ 3.02Å; D303-K823 WeakPolarHBondContact OD1-CD 3.24Å; D303-K823 IonicContact OD1-NZ 3.69Å; D303-K823 PolarHBondContact OD1-NZ 3.05Å; D303-K823 IonicContact OD2-NZ 3.49Å; D303-K823 PolarHBondContact OD2-NZ 2.86Å; K823-Q825 HydrophobicContact CB-CG 3.96Å; K823-Q825 PolarHBondContact O-N 3.3Å; K823-Q825 VanDerWaalsContact O-N 3.11Å; K823-D826 VanDerWaalsContact O-CB 3.29Å; K823-D826 WeakPolarHBondContact O-CB 3.5Å; K823-D826 PolarHBondContact O-N 3.34Å
824	T	97.1	Very high	96.2	Very high	19 Å²	19	31.1 Å²	31.1	12%	0.117	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-63.1	-23.3	-177.7	-45.6	0	0	0	0	113.2	S816 G819 D826 L827 K858 F859	S816-T824 VanDerWaalsContact O-CA 3.23Å; S816-T824 WeakPolarHBondContact O-CA 3.41Å; G819-T824 VanDerWaalsContact CA-OG1 3.27Å; G819-T824 WeakPolarHBondContact CA-OG1 3.14Å; T824-D826 PolarHBondContact O-N 2.88Å; T824-D826 VanDerWaalsContact O-N 3.11Å; T824-L827 HydrophobicContact CG2-CB 4.49Å; T824-L827 VanDerWaalsContact O-CB 3.26Å; T824-L827 WeakPolarHBondContact O-CB 3.23Å; T824-L827 PolarHBondContact O-N 3.5Å; T824-K858 HydrophobicContact CG2-CD 4.4Å; T824-K858 HydrophobicContact CG2-CG 3.82Å; T824-F859 HydrophobicContact CG2-CE2 4.31Å; T824-F859 HydrophobicContact CG2-CZ 4.12Å; T824-F859 WeakPolarHBondContact O-CZ 3.5Å
825	Q	95.8	Very high	96.2	Very high	5 Å²	5	27.5 Å²	27.5	2%	0.023	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-60.3	-19.7	172.2	76.3	-178	18.6	0	0	113.6	F149 P302 D303 F304 R318 K823	F149-Q825 HydrophobicContact CE1-CB 4.2Å; F149-Q825 HydrophobicContact CZ-CB 4.08Å; P302-Q825 PolarHBondContact O-OE1 2.83Å; D303-Q825 VanDerWaalsContact CA-OE1 3.25Å; F304-Q825 PolarHBondContact O-OE1 3.37Å; R318-Q825 PolarHBondContact NH1-O 3.39Å; R318-Q825 VanDerWaalsContact NH1-O 3.15Å; R318-Q825 PolarHBondContact NH2-O 3.18Å; K823-Q825 HydrophobicContact CB-CG 3.96Å; K823-Q825 PolarHBondContact O-N 3.3Å; K823-Q825 VanDerWaalsContact O-N 3.11Å
826	D	95.7	Very high	96.1	Very high	17 Å²	17	31 Å²	31	9%	0.091	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-89.7	-12.4	178.4	-66.3	-51.8	0	0	0	112.9	K797 M822 K823 T824 D829 V830	K797-D826 HydrophobicContact CD-CB 3.83Å; K797-D826 IonicContact NZ-OD1 3.53Å; K797-D826 PolarHBondContact NZ-OD1 3.04Å; M822-D826 HydrophobicContact CG-CB 4.14Å; K823-D826 VanDerWaalsContact O-CB 3.29Å; K823-D826 WeakPolarHBondContact O-CB 3.5Å; K823-D826 PolarHBondContact O-N 3.34Å; T824-D826 PolarHBondContact O-N 2.88Å; T824-D826 VanDerWaalsContact O-N 3.11Å; D826-D829 PolarHBondContact O-N 3.45Å; D826-V830 VanDerWaalsContact O-CG2 3.31Å; D826-V830 WeakPolarHBondContact O-CG2 3.42Å; D826-V830 PolarHBondContact O-N 2.86Å; D826-V830 VanDerWaalsContact O-N 3.1Å
827	L	97.6	Very high	96	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-54.4	-46.5	-176.6	176.1	69.3	0	0	0	113	S816 L817 T824 D829 V830 V831 F847 M855 F859	S816-L827 WeakPolarHBondContact OG-CD1 3.31Å; L817-L827 HydrophobicContact CB-CD1 4.27Å; L817-L827 HydrophobicContact CB-CD2 4.4Å; L817-L827 HydrophobicContact CD1-CD2 3.71Å; T824-L827 HydrophobicContact CG2-CB 4.49Å; T824-L827 VanDerWaalsContact O-CB 3.26Å; T824-L827 WeakPolarHBondContact O-CB 3.23Å; T824-L827 PolarHBondContact O-N 3.5Å; L827-D829 PolarHBondContact O-N 3.07Å; L827-V830 PolarHBondContact O-N 3.32Å; L827-V831 HydrophobicContact CD1-CG2 3.6Å; L827-V831 HydrophobicContact CG-CG2 4.13Å; L827-V831 WeakPolarHBondContact O-CG2 3.48Å; L827-V831 PolarHBondContact O-N 3Å; L827-F847 HydrophobicContact CD1-CE1 3.96Å; L827-F847 HydrophobicContact CD1-CZ 4.24Å; L827-M855 HydrophobicContact CD2-CE 4.37Å; L827-M855 HydrophobicContact CD2-CG 4.47Å; L827-F859 HydrophobicContact CB-CZ 4.35Å; L827-F859 HydrophobicContact CD2-CE2 3.97Å; L827-F859 HydrophobicContact CD2-CZ 4.47Å
828	P	97.8	Very high	95.8	Very high	7 Å²	7	31.9 Å²	31.9	5%	0.045	17%	0.167	C	C	.	.	H	α-helix	trans	-57.9	-47.5	-179.9	-25.6	36.4	0	0	0	112.7	V830 V831 V832 F859 Y868 M869	P828-V830 VanDerWaalsContact C-N 3.33Å; P828-V830 PolarHBondContact O-N 3.34Å; P828-V831 PolarHBondContact O-N 3.09Å; P828-V832 WeakPolarHBondContact O-CB 2.85Å; P828-V832 WeakPolarHBondContact O-CG2 2.96Å; P828-V832 PolarHBondContact O-N 3.02Å; P828-F859 HydrophobicContact CG-CE1 3.83Å; P828-F859 HydrophobicContact CG-CZ 3.9Å; P828-Y868 HydrophobicContact CB-CD1 3.97Å; P828-Y868 HydrophobicContact CB-CE1 4.45Å; P828-M869 HydrophobicContact CB-CG 3.86Å; P828-M869 HydrophobicContact CB-SD 4.25Å; P828-M869 HydrophobicContact CG-CG 4.49Å; P828-M869 HydrophobicContact CG-SD 4.31Å
829	D	97.1	Very high	95.7	Very high	55 Å²	55	31.9 Å²	31.9	29%	0.294	17%	0.165	S	C	.	.	H	α-helix	trans	-61.3	-41.4	178.2	-67.1	-26	0	0	0	112.4	K797 D826 L827 S833	K797-D829 IonicContact NZ-OD2 3.5Å; K797-D829 PolarHBondContact NZ-OD2 3.27Å; K797-D829 VanDerWaalsContact NZ-OD2 3.08Å; D826-D829 PolarHBondContact O-N 3.45Å; L827-D829 PolarHBondContact O-N 3.07Å; D829-S833 WeakPolarHBondContact O-CB 3.38Å; D829-S833 PolarHBondContact O-N 3.43Å; D829-S833 PolarHBondContact O-OG 3.45Å
830	V	98.2	Very high	95.9	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.006	16%	0.155	C	C	.	.	H	α-helix	trans	-66.1	-49.9	-179.2	172.8	0	0	0	0	110.1	K797 T801 M812 M813 M822 D826 L827 P828 V832 S833 V834	K797-V830 HydrophobicContact CD-CG2 3.96Å; K797-V830 HydrophobicContact CG-CG2 4.11Å; T801-V830 HydrophobicContact CG2-CG1 4.4Å; M812-V830 HydrophobicContact CB-CG1 3.97Å; M813-V830 HydrophobicContact CG-CG1 4.06Å; M822-V830 HydrophobicContact SD-CG2 3.56Å; M822-V830 VanDerWaalsContact SD-CG2 3.56Å; D826-V830 VanDerWaalsContact O-CG2 3.31Å; D826-V830 WeakPolarHBondContact O-CG2 3.42Å; D826-V830 PolarHBondContact O-N 2.86Å; D826-V830 VanDerWaalsContact O-N 3.1Å; L827-V830 PolarHBondContact O-N 3.32Å; P828-V830 VanDerWaalsContact C-N 3.33Å; P828-V830 PolarHBondContact O-N 3.34Å; V830-V832 PolarHBondContact O-N 2.86Å; V830-S833 PolarHBondContact O-N 2.67Å; V830-V834 HydrophobicContact CG1-CG2 4.47Å; V830-V834 WeakPolarHBondContact O-CB 3.28Å; V830-V834 VanDerWaalsContact O-CG2 3.23Å; V830-V834 WeakPolarHBondContact O-CG2 3.24Å; V830-V834 PolarHBondContact O-N 2.95Å
831	V	98.4	Very high	96.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61.5	-45.7	-179.4	171.7	0	0	0	0	110.8	M813 L827 P828 V834 G835 A844 F847 M869 V873	M813-V831 HydrophobicContact CG-CG2 4.17Å; M813-V831 HydrophobicContact SD-CG2 4.3Å; L827-V831 HydrophobicContact CD1-CG2 3.6Å; L827-V831 HydrophobicContact CG-CG2 4.13Å; L827-V831 WeakPolarHBondContact O-CG2 3.48Å; L827-V831 PolarHBondContact O-N 3Å; P828-V831 PolarHBondContact O-N 3.09Å; V831-V834 PolarHBondContact O-N 2.7Å; V831-G835 PolarHBondContact O-N 3.29Å; V831-A844 HydrophobicContact CG1-CB 4.46Å; V831-F847 HydrophobicContact CG2-CD1 3.95Å; V831-F847 HydrophobicContact CG2-CE1 3.86Å; V831-M869 HydrophobicContact CB-SD 4.46Å; V831-V873 HydrophobicContact CG1-CG2 3.66Å
832	V	98.4	Very high	96.5	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-66.2	-41.3	177.9	173.2	0	0	0	0	111.6	P828 V830 V834 G835 R836 Y868	P828-V832 WeakPolarHBondContact O-CB 2.85Å; P828-V832 WeakPolarHBondContact O-CG2 2.96Å; P828-V832 PolarHBondContact O-N 3.02Å; V830-V832 PolarHBondContact O-N 2.86Å; V832-V834 VanDerWaalsContact C-N 3.34Å; V832-V834 PolarHBondContact O-N 2.68Å; V832-G835 WeakPolarHBondContact O-CA 3.28Å; V832-G835 PolarHBondContact O-N 3.22Å; V832-G835 VanDerWaalsContact O-N 3.11Å; V832-R836 WeakPolarHBondContact O-CG 3.09Å; V832-R836 PolarHBondContact O-N 3.43Å; V832-Y868 HydrophobicContact CB-CE1 3.92Å; V832-Y868 HydrophobicContact CG1-CE1 4.28Å; V832-Y868 HydrophobicContact CG1-CE2 4.05Å; V832-Y868 HydrophobicContact CG2-CD1 3.82Å; V832-Y868 HydrophobicContact CG2-CD2 4.47Å; V832-Y868 HydrophobicContact CG2-CE1 3.65Å; V832-Y868 HydrophobicContact CG2-CE2 4.3Å; V832-Y868 HydrophobicContact CG2-CG 4.25Å; V832-Y868 WeakPolarHBondContact CG2-O 3.27Å
833	S	97.4	Very high	96.7	Very high	36 Å²	36	30.2 Å²	30.2	25%	0.252	15%	0.147	S	C	.	.	H	α-helix	trans	-64.2	-38.9	177.7	-60.5	0	0	0	0	112.1	T801 D829 V830 R836 N837	T801-S833 VanDerWaalsContact OG1-CB 3.27Å; T801-S833 WeakPolarHBondContact OG1-CB 3.35Å; D829-S833 WeakPolarHBondContact O-CB 3.38Å; D829-S833 PolarHBondContact O-N 3.43Å; D829-S833 PolarHBondContact O-OG 3.45Å; V830-S833 PolarHBondContact O-N 2.67Å; S833-R836 PolarHBondContact O-N 3.25Å; S833-N837 PolarHBondContact O-N 3.35Å
834	V	98.1	Very high	96.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-67.6	-37.2	171.8	177.6	0	0	0	0	111	T801 L809 M813 V830 V831 V832 R836 N837 G840 Y841 A844	T801-V834 HydrophobicContact CG2-CG2 4.3Å; L809-V834 HydrophobicContact CB-CG1 4.16Å; L809-V834 HydrophobicContact CB-CG2 4.36Å; L809-V834 HydrophobicContact CD2-CG2 4.14Å; M813-V834 HydrophobicContact CE-CG1 3.94Å; M813-V834 HydrophobicContact CG-CG2 4.15Å; M813-V834 HydrophobicContact SD-CB 4.04Å; M813-V834 HydrophobicContact SD-CG1 3.88Å; M813-V834 HydrophobicContact SD-CG2 4.28Å; V830-V834 HydrophobicContact CG1-CG2 4.47Å; V830-V834 WeakPolarHBondContact O-CB 3.28Å; V830-V834 VanDerWaalsContact O-CG2 3.23Å; V830-V834 WeakPolarHBondContact O-CG2 3.24Å; V830-V834 PolarHBondContact O-N 2.95Å; V831-V834 PolarHBondContact O-N 2.7Å; V832-V834 VanDerWaalsContact C-N 3.34Å; V832-V834 PolarHBondContact O-N 2.68Å; V834-R836 VanDerWaalsContact C-N 3.28Å; V834-R836 PolarHBondContact O-N 3.31Å; V834-N837 VanDerWaalsContact O-CB 3.31Å; V834-N837 WeakPolarHBondContact O-CB 3.25Å; V834-N837 PolarHBondContact O-N 2.79Å; V834-N837 VanDerWaalsContact O-N 3.11Å; V834-G840 CarbonylContact O-C 3.54Å; V834-G840 WeakPolarHBondContact O-CA 3.46Å; V834-Y841 PolarHBondContact O-N 3.07Å; V834-A844 HydrophobicContact CB-CB 4.36Å; V834-A844 HydrophobicContact CG1-CB 4.12Å
835	G	97.2	Very high	96.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-58.6	-35.9	173.4	0	0	0	0	0	113.7	V831 V832 N837 Y841	V831-G835 PolarHBondContact O-N 3.29Å; V832-G835 WeakPolarHBondContact O-CA 3.28Å; V832-G835 PolarHBondContact O-N 3.22Å; V832-G835 VanDerWaalsContact O-N 3.11Å; G835-N837 VanDerWaalsContact C-N 3.35Å; G835-Y841 WeakPolarHBondContact O-CB 3.42Å
836	R	95.3	Very high	97	Very high	107 Å²	107	31.3 Å²	31.3	40%	0.404	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-7	177.2	-67.8	175.6	176.1	-174.9	-1.3	114	K680 V832 S833 V834	K680-R836 PolarHBondContact NZ-O 3.04Å; V832-R836 WeakPolarHBondContact O-CG 3.09Å; V832-R836 PolarHBondContact O-N 3.43Å; S833-R836 PolarHBondContact O-N 3.25Å; V834-R836 VanDerWaalsContact C-N 3.28Å; V834-R836 PolarHBondContact O-N 3.31Å
837	N	95.1	Very high	97.2	Very high	8 Å²	8	31.4 Å²	31.4	4%	0.043	15%	0.153	C	C	.	.	S	Bend	trans	-82.8	127.1	177.5	-175.6	-40.8	0	0	0	110.3	T801 T803 S833 V834 G835 H839 G840 Y841	T801-N837 PolarHBondContact O-ND2 2.97Å; T803-N837 PolarHBondContact O-ND2 3.23Å; S833-N837 PolarHBondContact O-N 3.35Å; V834-N837 VanDerWaalsContact O-CB 3.31Å; V834-N837 WeakPolarHBondContact O-CB 3.25Å; V834-N837 PolarHBondContact O-N 2.79Å; V834-N837 VanDerWaalsContact O-N 3.11Å; G835-N837 VanDerWaalsContact C-N 3.35Å; N837-H839 PolarHBondContact O-N 3.3Å; N837-H839 VanDerWaalsContact O-N 3.1Å; N837-H839 WeakPolarHBondContact OD1-CB 3.38Å; N837-H839 PolarHBondContact OD1-N 3.43Å; N837-G840 PolarHBondContact O-N 2.98Å; N837-G840 PolarHBondContact OD1-N 3.07Å; N837-Y841 PolarHBondContact O-N 3.39Å
838	P	93.1	Very high	97.2	Very high	46 Å²	46	31.4 Å²	31.4	30%	0.299	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-27.6	178.5	-26.5	35.4	0	0	0	114.6	E683 Y841	E683-P838 HydrophobicContact CB-CB 4.4Å; E683-P838 HydrophobicContact CB-CG 4.22Å; E683-P838 HydrophobicContact CG-CG 4.05Å; E683-P838 WeakPolarHBondContact OE2-CG 3.18Å; P838-Y841 VanDerWaalsContact O-CD1 3.3Å; P838-Y841 WeakPolarHBondContact O-CD1 3.43Å; P838-Y841 WeakPolarHBondContact O-CE1 3.27Å
839	H	94.5	Very high	97.2	Very high	98 Å²	98	34.6 Å²	34.6	45%	0.454	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-12.4	177.3	-54.9	-70.3	0	0	0	113.2	K806 N837	K806-H839 WeakPolarHBondContact CE-O 3.41Å; N837-H839 PolarHBondContact O-N 3.3Å; N837-H839 VanDerWaalsContact O-N 3.1Å; N837-H839 WeakPolarHBondContact OD1-CB 3.38Å; N837-H839 PolarHBondContact OD1-N 3.43Å
840	G	96.9	Very high	97.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.5	-19.3	-171.5	0	0	0	0	0	115.8	V834 N837 K842 L843 A844	V834-G840 CarbonylContact O-C 3.54Å; V834-G840 WeakPolarHBondContact O-CA 3.46Å; N837-G840 PolarHBondContact O-N 2.98Å; N837-G840 PolarHBondContact OD1-N 3.07Å; G840-K842 PolarHBondContact O-N 3.47Å; G840-L843 WeakPolarHBondContact O-CA 3.49Å; G840-L843 VanDerWaalsContact O-CB 3.29Å; G840-L843 WeakPolarHBondContact O-CB 3.24Å; G840-L843 PolarHBondContact O-N 3.25Å; G840-A844 PolarHBondContact O-N 3.01Å
841	Y	96.8	Very high	97.2	Very high	31 Å²	31	37.7 Å²	37.7	12%	0.122	19%	0.192	C	C	.	.	H	α-helix	trans	-55.3	-43.5	-168.7	73.3	-88.4	0	0	0	114.6	K684 V834 G835 N837 P838 L843 A844 W845 Y877 M882	K684-Y841 HydrophobicContact CB-CE1 4.47Å; K684-Y841 HydrophobicContact CB-CE2 4.22Å; K684-Y841 HydrophobicContact CD-CD1 4.47Å; K684-Y841 HydrophobicContact CD-CD2 3.87Å; K684-Y841 HydrophobicContact CD-CE2 4.32Å; K684-Y841 HydrophobicContact CD-CG 3.94Å; K684-Y841 HydrophobicContact CG-CD1 4.03Å; K684-Y841 HydrophobicContact CG-CD2 4.11Å; K684-Y841 HydrophobicContact CG-CE1 4.15Å; K684-Y841 HydrophobicContact CG-CE2 4.21Å; K684-Y841 HydrophobicContact CG-CG 4Å; V834-Y841 PolarHBondContact O-N 3.07Å; G835-Y841 WeakPolarHBondContact O-CB 3.42Å; N837-Y841 PolarHBondContact O-N 3.39Å; P838-Y841 VanDerWaalsContact O-CD1 3.3Å; P838-Y841 WeakPolarHBondContact O-CD1 3.43Å; P838-Y841 WeakPolarHBondContact O-CE1 3.27Å; Y841-L843 PolarHBondContact O-N 3.34Å; Y841-A844 PolarHBondContact O-N 3.35Å; Y841-W845 PolarHBondContact O-N 2.95Å; Y841-Y877 AromaticContact CD2-CE1 3.74Å; Y841-Y877 HydrophobicContact CD2-CE1 3.74Å; Y841-Y877 HydrophobicContact CE2-CE1 4.41Å; Y841-M882 HydrophobicContact CE2-CE 4.31Å
842	K	96.6	Very high	97.2	Very high	125 Å²	125	38 Å²	38	54%	0.543	19%	0.193	S	C	.	.	H	α-helix	trans	-65.1	-38.8	175.3	-65.1	-171.4	172.3	174.7	0	112.3	G840 A844 W845 D846	G840-K842 PolarHBondContact O-N 3.47Å; K842-A844 VanDerWaalsContact C-N 3.33Å; K842-A844 PolarHBondContact O-N 3.19Å; K842-W845 PolarHBondContact O-N 3.01Å; K842-D846 WeakPolarHBondContact O-CB 3.34Å; K842-D846 PolarHBondContact O-N 3.39Å
843	L	98.2	Very high	97	Very high	47 Å²	47	43.8 Å²	43.8	25%	0.246	22%	0.22	C	C	.	.	H	α-helix	trans	-63.3	-41.3	178.6	-56.9	175.6	0	0	0	111	K806 L809 M813 G840 Y841 F847	K806-L843 HydrophobicContact CB-CD1 4.02Å; K806-L843 HydrophobicContact CG-CD1 4.24Å; L809-L843 HydrophobicContact CB-CD1 4.48Å; M813-L843 HydrophobicContact CE-CB 3.97Å; G840-L843 WeakPolarHBondContact O-CA 3.49Å; G840-L843 VanDerWaalsContact O-CB 3.29Å; G840-L843 WeakPolarHBondContact O-CB 3.24Å; G840-L843 PolarHBondContact O-N 3.25Å; Y841-L843 PolarHBondContact O-N 3.34Å; L843-F847 WeakPolarHBondContact O-CB 3.32Å; L843-F847 PolarHBondContact O-N 3.22Å
844	A	98.4	Very high	97	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-64.9	-43	177.8	0	0	0	0	0	111.9	M813 V831 V834 G840 Y841 K842 F847 L848 V873	M813-A844 HydrophobicContact SD-CB 4.22Å; V831-A844 HydrophobicContact CG1-CB 4.46Å; V834-A844 HydrophobicContact CB-CB 4.36Å; V834-A844 HydrophobicContact CG1-CB 4.12Å; G840-A844 PolarHBondContact O-N 3.01Å; Y841-A844 PolarHBondContact O-N 3.35Å; K842-A844 VanDerWaalsContact C-N 3.33Å; K842-A844 PolarHBondContact O-N 3.19Å; A844-F847 PolarHBondContact O-N 3.11Å; A844-L848 WeakPolarHBondContact O-CB 3.4Å; A844-L848 PolarHBondContact O-N 2.77Å; A844-V873 HydrophobicContact CB-CG1 4.27Å; A844-V873 HydrophobicContact CB-CG2 4.13Å
845	W	98.3	Very high	96.8	Very high	3 Å²	3	45.8 Å²	45.8	1%	0.011	23%	0.23	C	C	.	.	H	α-helix	trans	-64.2	-46.2	175.7	173.3	-120.1	0	0	0	112.8	Y841 K842 F847 L848 R849 V873 T874 Y877 E885 I886 F889 F890	Y841-W845 PolarHBondContact O-N 2.95Å; K842-W845 PolarHBondContact O-N 3.01Å; W845-F847 VanDerWaalsContact C-N 3.28Å; W845-F847 PolarHBondContact O-N 3.46Å; W845-L848 HydrophobicContact CE3-CD2 4.37Å; W845-L848 HydrophobicContact CZ3-CD2 4Å; W845-L848 PolarHBondContact O-N 2.82Å; W845-R849 HydrophobicContact CD2-CG 4.11Å; W845-R849 VanDerWaalsContact CE2-CD 3.49Å; W845-R849 HydrophobicContact CE3-CG 4.25Å; W845-R849 HydrophobicContact CH2-CG 3.79Å; W845-R849 HydrophobicContact CZ2-CG 3.63Å; W845-R849 HydrophobicContact CZ3-CG 4.1Å; W845-R849 WeakPolarHBondContact O-CG 3.32Å; W845-R849 PolarHBondContact O-N 3.49Å; W845-V873 HydrophobicContact CB-CG1 3.85Å; W845-V873 HydrophobicContact CE3-CG1 4.2Å; W845-T874 HydrophobicContact CE3-CG2 4.03Å; W845-T874 HydrophobicContact CZ3-CG2 4.04Å; W845-Y877 WeakPolarHBondContact CB-OH 3.46Å; W845-E885 VanDerWaalsContact NE1-CD 3.33Å; W845-E885 PolarHBondContact NE1-OE1 3.34Å; W845-I886 HydrophobicContact CD2-CD1 3.74Å; W845-I886 VanDerWaalsContact CE2-CD1 3.47Å; W845-I886 HydrophobicContact CE3-CD1 3.76Å; W845-I886 HydrophobicContact CH2-CD1 3.32Å; W845-I886 HydrophobicContact CH2-CG1 4.5Å; W845-I886 HydrophobicContact CH2-CG2 4.46Å; W845-I886 HydrophobicContact CZ2-CD1 3.26Å; W845-I886 HydrophobicContact CZ2-CG1 4.43Å; W845-I886 HydrophobicContact CZ3-CD1 3.56Å; W845-F889 HydrophobicContact CH2-CB 4.02Å; W845-F889 AromaticContact CH2-CD1 3.66Å; W845-F889 HydrophobicContact CH2-CD1 3.66Å; W845-F889 HydrophobicContact CH2-CE1 4.48Å; W845-F889 HydrophobicContact CH2-CG 4.06Å; W845-F889 HydrophobicContact CZ2-CB 4.02Å; W845-F889 HydrophobicContact CZ2-CD1 4.41Å; W845-F889 HydrophobicContact CZ2-CG 4.38Å; W845-F889 HydrophobicContact CZ3-CD1 4.38Å; W845-F890 HydrophobicContact CH2-CE2 4.19Å; W845-F890 HydrophobicContact CH2-CZ 4.39Å; W845-F890 HydrophobicContact CZ3-CE2 4.28Å; W845-F890 HydrophobicContact CZ3-CZ 4.22Å
846	D	98.3	Very high	96.7	Very high	77 Å²	77	46.7 Å²	46.7	41%	0.412	24%	0.235	S	C	.	.	H	α-helix	trans	-60	-41.7	175.6	-69.7	-20.3	0	0	0	111.5	K842 R849 A850	K842-D846 WeakPolarHBondContact O-CB 3.34Å; K842-D846 PolarHBondContact O-N 3.39Å; D846-R849 IonicContact OD1-CZ 2.59Å; D846-R849 IonicContact OD1-NH2 3.33Å; D846-R849 PolarHBondContact OD1-NH2 2.63Å; D846-A850 VanDerWaalsContact O-CB 3.25Å; D846-A850 WeakPolarHBondContact O-CB 3.27Å; D846-A850 PolarHBondContact O-N 2.83Å
847	F	98.6	Very high	96.6	Very high	19 Å²	19	49.7 Å²	49.7	8%	0.083	25%	0.251	C	S	.	.	H	α-helix	trans	-64.6	-45.1	177.8	-178.7	-91.2	0	0	0	112.3	M813 E814 L817 L827 V831 L843 A844 W845 A850 N851 M855	M813-F847 HydrophobicContact CB-CD1 4.16Å; M813-F847 HydrophobicContact CB-CD2 3.91Å; M813-F847 HydrophobicContact CB-CE1 4.02Å; M813-F847 HydrophobicContact CB-CE2 3.77Å; M813-F847 HydrophobicContact CB-CG 4.1Å; M813-F847 HydrophobicContact CB-CZ 3.82Å; M813-F847 HydrophobicContact CE-CB 4.09Å; M813-F847 HydrophobicContact CE-CG 4.33Å; M813-F847 WeakPolarHBondContact O-CZ 3.44Å; M813-F847 HydrophobicContact SD-CB 4.05Å; M813-F847 HydrophobicContact SD-CD1 4.16Å; M813-F847 HydrophobicContact SD-CG 4.03Å; E814-F847 HydrophobicContact CG-CE2 4.25Å; L817-F847 HydrophobicContact CB-CZ 3.97Å; L817-F847 HydrophobicContact CD2-CE2 4.39Å; L817-F847 HydrophobicContact CD2-CZ 3.89Å; L817-F847 HydrophobicContact CG-CZ 4.46Å; L827-F847 HydrophobicContact CD1-CE1 3.96Å; L827-F847 HydrophobicContact CD1-CZ 4.24Å; V831-F847 HydrophobicContact CG2-CD1 3.95Å; V831-F847 HydrophobicContact CG2-CE1 3.86Å; L843-F847 WeakPolarHBondContact O-CB 3.32Å; L843-F847 PolarHBondContact O-N 3.22Å; A844-F847 PolarHBondContact O-N 3.11Å; W845-F847 VanDerWaalsContact C-N 3.28Å; W845-F847 PolarHBondContact O-N 3.46Å; F847-A850 PolarHBondContact O-N 2.91Å; F847-N851 WeakPolarHBondContact CD2-ND2 3.48Å; F847-N851 WeakPolarHBondContact O-CB 3.3Å; F847-N851 PolarHBondContact O-N 3.43Å; F847-N851 VanDerWaalsContact O-N 3.11Å; F847-N851 PolarHBondContact O-ND2 3.16Å; F847-M855 HydrophobicContact CD1-CE 3.58Å; F847-M855 HydrophobicContact CE1-CE 3.28Å; F847-M855 HydrophobicContact CZ-CE 4.36Å
848	L	97.9	Very high	96.6	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-60.2	-48.6	177.9	-175.2	151.9	0	0	0	110.9	A844 W845 A850 N851 W852 M855 M869 V873 F889	A844-L848 WeakPolarHBondContact O-CB 3.4Å; A844-L848 PolarHBondContact O-N 2.77Å; W845-L848 HydrophobicContact CE3-CD2 4.37Å; W845-L848 HydrophobicContact CZ3-CD2 4Å; W845-L848 PolarHBondContact O-N 2.82Å; L848-A850 PolarHBondContact O-N 3.41Å; L848-N851 PolarHBondContact O-N 3.47Å; L848-W852 HydrophobicContact CD2-CE3 3.75Å; L848-W852 HydrophobicContact CD2-CZ3 3.94Å; L848-W852 HydrophobicContact CG-CE3 4.37Å; L848-W852 PolarHBondContact O-N 3.35Å; L848-M855 HydrophobicContact CG-SD 4.37Å; L848-M869 HydrophobicContact CD1-CB 4.14Å; L848-V873 HydrophobicContact CD1-CB 4.45Å; L848-V873 HydrophobicContact CD1-CG2 4.26Å; L848-F889 HydrophobicContact CD2-CE1 4.3Å
849	R	97.6	Very high	96.7	Very high	74 Å²	74	49.3 Å²	49.3	28%	0.279	24%	0.244	S	C	.	.	H	α-helix	trans	-60.3	-47.5	177.1	-71.4	-168.4	-68.5	-164.4	-5.2	112.7	W845 D846 N851 E885 F889	W845-R849 HydrophobicContact CD2-CG 4.11Å; W845-R849 VanDerWaalsContact CE2-CD 3.49Å; W845-R849 HydrophobicContact CE3-CG 4.25Å; W845-R849 HydrophobicContact CH2-CG 3.79Å; W845-R849 HydrophobicContact CZ2-CG 3.63Å; W845-R849 HydrophobicContact CZ3-CG 4.1Å; W845-R849 WeakPolarHBondContact O-CG 3.32Å; W845-R849 PolarHBondContact O-N 3.49Å; D846-R849 IonicContact OD1-CZ 2.59Å; D846-R849 IonicContact OD1-NH2 3.33Å; D846-R849 PolarHBondContact OD1-NH2 2.63Å; R849-N851 PolarHBondContact O-N 3.45Å; R849-E885 IonicContact CZ-OE1 3.38Å; R849-E885 IonicContact NH1-OE1 3.47Å; R849-E885 PolarHBondContact NH1-OE1 3.21Å; R849-E885 IonicContact NH2-OE1 2.95Å; R849-E885 PolarHBondContact NH2-OE1 2.96Å; R849-F889 HydrophobicContact CB-CD2 4.2Å; R849-F889 HydrophobicContact CB-CE2 3.98Å; R849-F889 HydrophobicContact CB-CZ 4.3Å; R849-F889 HydrophobicContact CG-CB 4.5Å; R849-F889 HydrophobicContact CG-CD1 4.05Å; R849-F889 HydrophobicContact CG-CD2 3.77Å; R849-F889 HydrophobicContact CG-CE1 4.2Å; R849-F889 HydrophobicContact CG-CE2 3.94Å; R849-F889 HydrophobicContact CG-CG 3.82Å; R849-F889 HydrophobicContact CG-CZ 4.16Å
850	A	98.1	Very high	96.5	Very high	81 Å²	81	46.2 Å²	46.2	67%	0.669	23%	0.231	S	C	*	.	H	α-helix	trans	-66.4	-25.1	-175.9	0	0	0	0	0	113.1	D846 F847 L848	D846-A850 VanDerWaalsContact O-CB 3.25Å; D846-A850 WeakPolarHBondContact O-CB 3.27Å; D846-A850 PolarHBondContact O-N 2.83Å; F847-A850 PolarHBondContact O-N 2.91Å; L848-A850 PolarHBondContact O-N 3.41Å
851	N	98.1	Very high	96.4	Very high	40 Å²	40	47.3 Å²	47.3	21%	0.214	24%	0.237	C	C	.	.	H	α-helix	trans	-117.1	11.6	-173.3	-62.5	-77.4	0	0	0	114	L817 F847 L848 R849 H853 T854 M855	L817-N851 HydrophobicContact CD2-CB 4.11Å; L817-N851 WeakPolarHBondContact CD2-OD1 3.46Å; F847-N851 WeakPolarHBondContact CD2-ND2 3.48Å; F847-N851 WeakPolarHBondContact O-CB 3.3Å; F847-N851 PolarHBondContact O-N 3.43Å; F847-N851 VanDerWaalsContact O-N 3.11Å; F847-N851 PolarHBondContact O-ND2 3.16Å; L848-N851 PolarHBondContact O-N 3.47Å; R849-N851 PolarHBondContact O-N 3.45Å; N851-H853 PolarHBondContact O-N 3.38Å; N851-T854 WeakPolarHBondContact O-CB 3.13Å; N851-T854 PolarHBondContact O-N 2.87Å; N851-M855 HydrophobicContact CB-CE 4.12Å; N851-M855 WeakPolarHBondContact O-CG 3.34Å; N851-M855 PolarHBondContact O-N 3.13Å
852	W	97.6	Very high	96.3	Very high	6 Å²	6	45.9 Å²	45.9	2%	0.023	23%	0.231	C	C	.	.	H	α-helix	trans	-49.9	-50.9	-173.4	-177.6	-109.7	0	0	0	113.9	L848 T854 M855 I856 V866 V870 F889 F890 L893 T897 M901	L848-W852 HydrophobicContact CD2-CE3 3.75Å; L848-W852 HydrophobicContact CD2-CZ3 3.94Å; L848-W852 HydrophobicContact CG-CE3 4.37Å; L848-W852 PolarHBondContact O-N 3.35Å; W852-T854 VanDerWaalsContact C-N 3.31Å; W852-T854 PolarHBondContact O-N 3Å; W852-M855 WeakPolarHBondContact O-CB 3.29Å; W852-M855 PolarHBondContact O-N 3.06Å; W852-M855 VanDerWaalsContact O-N 3.13Å; W852-I856 HydrophobicContact CD2-CG2 4.04Å; W852-I856 HydrophobicContact CE3-CG2 4.49Å; W852-I856 HydrophobicContact CH2-CG2 4.32Å; W852-I856 HydrophobicContact CZ2-CG2 3.84Å; W852-I856 PolarHBondContact O-N 3.33Å; W852-V866 HydrophobicContact CH2-CG1 3.75Å; W852-V866 HydrophobicContact CZ3-CG1 4.16Å; W852-V870 HydrophobicContact CH2-CG2 3.73Å; W852-V870 HydrophobicContact CZ3-CG2 3.68Å; W852-F889 HydrophobicContact CB-CZ 3.88Å; W852-F889 HydrophobicContact CD2-CE1 4.36Å; W852-F889 HydrophobicContact CD2-CZ 4.2Å; W852-F889 HydrophobicContact CE3-CE1 4.46Å; W852-F889 AromaticContact CG-CZ 3.89Å; W852-F889 HydrophobicContact CG-CZ 3.89Å; W852-F890 HydrophobicContact CH2-CE1 4.06Å; W852-F890 HydrophobicContact CZ2-CE1 4.45Å; W852-F890 HydrophobicContact CZ3-CE1 4.28Å; W852-L893 HydrophobicContact CZ2-CD1 4.02Å; W852-T897 PolarHBondContact NE1-O 2.94Å; W852-M901 HydrophobicContact CH2-CE 3.56Å; W852-M901 HydrophobicContact CZ2-CE 3.53Å
853	H	96	Very high	96.2	Very high	122 Å²	122	40 Å²	40	57%	0.565	21%	0.206	S	C	*	.	H	α-helix	trans	-61.6	-37.8	-179.7	-69.2	-61.9	0	0	0	113.3	N851 I856 K857	N851-H853 PolarHBondContact O-N 3.38Å; H853-I856 WeakPolarHBondContact O-CG1 3.46Å; H853-K857 WeakPolarHBondContact O-CB 3.39Å; H853-K857 PolarHBondContact O-N 3.24Å
854	T	95.6	Very high	96	Very high	76 Å²	76	42.4 Å²	42.4	47%	0.466	22%	0.219	S	C	.	.	H	α-helix	trans	-66.8	-41	176.2	-53.1	0	0	0	0	110.7	L817 N851 W852 K858	L817-T854 HydrophobicContact CD1-CG2 3.93Å; N851-T854 WeakPolarHBondContact O-CB 3.13Å; N851-T854 PolarHBondContact O-N 2.87Å; W852-T854 VanDerWaalsContact C-N 3.31Å; W852-T854 PolarHBondContact O-N 3Å; T854-K858 WeakPolarHBondContact O-CB 3.47Å; T854-K858 PolarHBondContact O-N 3.38Å
855	M	94.8	Very high	95.9	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-65.2	-51.5	179.3	-68.4	173.6	172.2	0	0	111.8	L827 F847 L848 N851 W852 K857 K858 F859 M869	L827-M855 HydrophobicContact CD2-CE 4.37Å; L827-M855 HydrophobicContact CD2-CG 4.47Å; F847-M855 HydrophobicContact CD1-CE 3.58Å; F847-M855 HydrophobicContact CE1-CE 3.28Å; F847-M855 HydrophobicContact CZ-CE 4.36Å; L848-M855 HydrophobicContact CG-SD 4.37Å; N851-M855 HydrophobicContact CB-CE 4.12Å; N851-M855 WeakPolarHBondContact O-CG 3.34Å; N851-M855 PolarHBondContact O-N 3.13Å; W852-M855 WeakPolarHBondContact O-CB 3.29Å; W852-M855 PolarHBondContact O-N 3.06Å; W852-M855 VanDerWaalsContact O-N 3.13Å; M855-K857 PolarHBondContact O-N 3.25Å; M855-K858 PolarHBondContact O-N 2.96Å; M855-F859 WeakPolarHBondContact O-CD2 3.41Å; M855-F859 PolarHBondContact O-N 2.9Å; M855-M869 HydrophobicContact CB-CE 4.42Å; M855-M869 HydrophobicContact CE-SD 4.47Å; M855-M869 HydrophobicContact CG-CE 4.5Å; M855-M869 HydrophobicContact SD-CE 4.27Å; M855-M869 HydrophobicContact SD-SD 4.31Å
856	I	94.6	Very high	95.9	Very high	19 Å²	19	43 Å²	43	10%	0.097	22%	0.224	C	C	.	.	H	α-helix	trans	-66.9	-25.7	-178.2	67.9	177.5	0	0	0	112.2	W852 H853 D860 L861	W852-I856 HydrophobicContact CD2-CG2 4.04Å; W852-I856 HydrophobicContact CE3-CG2 4.49Å; W852-I856 HydrophobicContact CH2-CG2 4.32Å; W852-I856 HydrophobicContact CZ2-CG2 3.84Å; W852-I856 PolarHBondContact O-N 3.33Å; H853-I856 WeakPolarHBondContact O-CG1 3.46Å; I856-D860 WeakPolarHBondContact O-CA 3.46Å; I856-D860 PolarHBondContact O-N 3.03Å; I856-L861 HydrophobicContact CB-CD2 3.89Å; I856-L861 HydrophobicContact CB-CG 4.27Å; I856-L861 HydrophobicContact CD1-CD2 4.2Å; I856-L861 HydrophobicContact CG2-CD2 3.6Å; I856-L861 HydrophobicContact CG2-CG 4.5Å
857	K	93.1	Very high	95.8	Very high	171 Å²	171	40.2 Å²	40.2	74%	0.743	21%	0.21	S	C	*	.	H	α-helix	trans	-72.1	-30.4	171.2	-175	178.3	177.8	-174.9	0	112.5	H853 M855	H853-K857 WeakPolarHBondContact O-CB 3.39Å; H853-K857 PolarHBondContact O-N 3.24Å; M855-K857 PolarHBondContact O-N 3.25Å
858	K	94.9	Very high	95.7	Very high	44 Å²	44	43 Å²	43	19%	0.191	22%	0.221	C	C	.	.	H	α-helix	trans	-86.5	-35.7	-177.6	-176.8	53.8	169	160.6	0	112.7	D147 S148 F149 T824 T854 M855	D147-K858 PolarHBondContact O-NZ 2.83Å; S148-K858 PolarHBondContact OG-O 2.96Å; F149-K858 HydrophobicContact CD2-CD 4.39Å; F149-K858 HydrophobicContact CE2-CD 3.97Å; F149-K858 HydrophobicContact CE2-CG 4.07Å; F149-K858 HydrophobicContact CZ-CD 4.48Å; F149-K858 VanDerWaalsContact CZ-CE 3.41Å; T824-K858 HydrophobicContact CG2-CD 4.4Å; T824-K858 HydrophobicContact CG2-CG 3.82Å; T854-K858 WeakPolarHBondContact O-CB 3.47Å; T854-K858 PolarHBondContact O-N 3.38Å; M855-K858 PolarHBondContact O-N 2.96Å
859	F	95	Very high	95.8	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.009	22%	0.222	C	C	.	.	H	α-helix	trans	-112.7	-10.3	-174.4	-65.1	-83.3	0	0	0	114.8	F149 Q305 T824 L827 P828 M855 S863 S865 V866 M869	F149-F859 HydrophobicContact CD2-CD1 4.33Å; F149-F859 HydrophobicContact CD2-CE1 4.24Å; F149-F859 HydrophobicContact CE2-CD1 4.14Å; F149-F859 AromaticContact CE2-CE1 3.65Å; F149-F859 HydrophobicContact CE2-CE1 3.65Å; F149-F859 HydrophobicContact CE2-CZ 4.06Å; Q305-F859 HydrophobicContact CG-CD1 4.2Å; Q305-F859 PolarHBondContact NE2-O 3.31Å; Q305-F859 VanDerWaalsContact NE2-O 3.13Å; T824-F859 HydrophobicContact CG2-CE2 4.31Å; T824-F859 HydrophobicContact CG2-CZ 4.12Å; T824-F859 WeakPolarHBondContact O-CZ 3.5Å; L827-F859 HydrophobicContact CB-CZ 4.35Å; L827-F859 HydrophobicContact CD2-CE2 3.97Å; L827-F859 HydrophobicContact CD2-CZ 4.47Å; P828-F859 HydrophobicContact CG-CE1 3.83Å; P828-F859 HydrophobicContact CG-CZ 3.9Å; M855-F859 WeakPolarHBondContact O-CD2 3.41Å; M855-F859 PolarHBondContact O-N 2.9Å; F859-S863 WeakPolarHBondContact O-CB 3.49Å; F859-S863 PolarHBondContact O-OG 3.07Å; F859-S865 VanDerWaalsContact CD1-CB 3.47Å; F859-V866 HydrophobicContact CB-CG2 3.89Å; F859-M869 HydrophobicContact CD2-CE 4.29Å
860	D	92.3	Very high	95.8	Very high	32 Å²	32	39.7 Å²	39.7	17%	0.171	21%	0.208	C	C	.	.			trans	65.8	148.9	-169.4	-65.4	-23.7	0	0	0	115.9	H150 F176 I856 S863 V866	H150-D860 IonicContact CE1-OD1 3.31Å; H150-D860 IonicContact CE1-OD2 2.86Å; H150-D860 PolarHBondContact CE1-OD2 3.07Å; H150-D860 IonicContact ND1-OD2 2.68Å; H150-D860 PolarHBondContact ND1-OD2 3.34Å; H150-D860 IonicContact NE2-OD2 2.67Å; H150-D860 PolarHBondContact NE2-OD2 3.16Å; F176-D860 WeakPolarHBondContact CE1-OD2 3.39Å; F176-D860 WeakPolarHBondContact CZ-OD2 3.44Å; I856-D860 WeakPolarHBondContact O-CA 3.46Å; I856-D860 PolarHBondContact O-N 3.03Å; D860-S863 WeakPolarHBondContact O-CB 3.44Å; D860-S863 PolarHBondContact O-N 3.31Å; D860-S863 PolarHBondContact O-OG 3.43Å; D860-V866 VanDerWaalsContact O-CG2 3.31Å; D860-V866 WeakPolarHBondContact O-CG2 3.32Å
861	L	94.3	Very high	95.7	Very high	23 Å²	23	37.6 Å²	37.6	12%	0.12	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	146.6	170.1	-67.2	175.4	0	0	0	110.6	T417 I856 S863 E896 M901	T417-L861 HydrophobicContact CG2-CB 3.84Å; I856-L861 HydrophobicContact CB-CD2 3.89Å; I856-L861 HydrophobicContact CB-CG 4.27Å; I856-L861 HydrophobicContact CD1-CD2 4.2Å; I856-L861 HydrophobicContact CG2-CD2 3.6Å; I856-L861 HydrophobicContact CG2-CG 4.5Å; L861-S863 PolarHBondContact O-N 3.33Å; L861-E896 WeakPolarHBondContact CD1-O 3.45Å; L861-M901 HydrophobicContact CB-SD 4.12Å; L861-M901 HydrophobicContact CD2-CE 4.04Å; L861-M901 HydrophobicContact CD2-SD 3.61Å; L861-M901 HydrophobicContact CG-SD 4.47Å
862	G	93.4	Very high	95.6	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.01	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.2	-12.5	-178.6	0	0	0	0	0	114.4	Q420 E421 M901	Q420-G862 CarbonylContact C-O 3.51Å; Q420-G862 VanDerWaalsContact C-O 3.25Å; E421-G862 PolarHBondContact N-O 2.76Å; G862-M901 PolarHBondContact N-SD 3.33Å
863	S	95.7	Very high	95.6	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.007	18%	0.176	C	C	.	.			trans	-64.2	147.2	177.8	69.2	0	0	0	0	112.3	F859 D860 L861 S865 V866 S867	F859-S863 WeakPolarHBondContact O-CB 3.49Å; F859-S863 PolarHBondContact O-OG 3.07Å; D860-S863 WeakPolarHBondContact O-CB 3.44Å; D860-S863 PolarHBondContact O-N 3.31Å; D860-S863 PolarHBondContact O-OG 3.43Å; L861-S863 PolarHBondContact O-N 3.33Å; S863-S865 PolarHBondContact O-N 3.4Å; S863-S865 VanDerWaalsContact O-N 3.15Å; S863-V866 PolarHBondContact O-N 3.1Å; S863-V866 VanDerWaalsContact O-N 3.09Å; S863-V866 PolarHBondContact OG-N 2.98Å; S863-S867 PolarHBondContact O-N 3.44Å; S863-S867 VanDerWaalsContact O-N 3.07Å; S863-S867 PolarHBondContact O-OG 3.2Å
864	N	94.1	Very high	95.7	Very high	98 Å²	98	29.8 Å²	29.8	52%	0.524	15%	0.149	S	C	.	.	H	α-helix	trans	-55.8	-33.4	174.4	-172.1	12.7	0	0	0	112	V866 S867 Y868	N864-V866 PolarHBondContact O-N 3.08Å; N864-S867 PolarHBondContact O-N 3.4Å; N864-Y868 WeakPolarHBondContact O-CB 3.4Å; N864-Y868 PolarHBondContact O-N 2.95Å
865	S	96.4	Very high	95.5	Very high	15 Å²	15	28 Å²	28	11%	0.105	14%	0.137	C	C	.	.	H	α-helix	trans	-62.5	-42.2	177	-55.7	0	0	0	0	113.3	Q305 F859 S863 M869	Q305-S865 PolarHBondContact NE2-OG 2.97Å; F859-S865 VanDerWaalsContact CD1-CB 3.47Å; S863-S865 PolarHBondContact O-N 3.4Å; S863-S865 VanDerWaalsContact O-N 3.15Å; S865-M869 WeakPolarHBondContact O-CG 3.47Å; S865-M869 PolarHBondContact O-N 2.91Å
866	V	97.2	Very high	95.5	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.006	14%	0.144	C	C	.	.	H	α-helix	trans	-70.8	-45.8	177.1	172.9	0	0	0	0	110.2	W852 F859 D860 S863 N864 Y868 M869 V870 M901	W852-V866 HydrophobicContact CH2-CG1 3.75Å; W852-V866 HydrophobicContact CZ3-CG1 4.16Å; F859-V866 HydrophobicContact CB-CG2 3.89Å; D860-V866 VanDerWaalsContact O-CG2 3.31Å; D860-V866 WeakPolarHBondContact O-CG2 3.32Å; S863-V866 PolarHBondContact O-N 3.1Å; S863-V866 VanDerWaalsContact O-N 3.09Å; S863-V866 PolarHBondContact OG-N 2.98Å; N864-V866 PolarHBondContact O-N 3.08Å; V866-Y868 VanDerWaalsContact C-N 3.34Å; V866-Y868 PolarHBondContact O-N 3.36Å; V866-M869 HydrophobicContact CG2-CE 4.46Å; V866-M869 PolarHBondContact O-N 3.5Å; V866-V870 HydrophobicContact CG1-CG2 4.28Å; V866-V870 WeakPolarHBondContact O-CG2 3.34Å; V866-V870 PolarHBondContact O-N 2.61Å; V866-M901 HydrophobicContact CG1-CE 4.02Å; V866-M901 HydrophobicContact CG1-SD 4.25Å
867	S	96.8	Very high	95.7	Very high	18 Å²	18	28.9 Å²	28.9	13%	0.126	14%	0.141	C	C	.	.	H	α-helix	trans	-57.9	-44.9	176.8	-64.5	0	0	0	0	112.1	S863 N864 M869 V870 L871	S863-S867 PolarHBondContact O-N 3.44Å; S863-S867 VanDerWaalsContact O-N 3.07Å; S863-S867 PolarHBondContact O-OG 3.2Å; N864-S867 PolarHBondContact O-N 3.4Å; S867-M869 PolarHBondContact O-N 3.39Å; S867-V870 PolarHBondContact O-N 3.1Å; S867-L871 WeakPolarHBondContact O-CB 3.49Å; S867-L871 WeakPolarHBondContact O-CG 3.39Å; S867-L871 PolarHBondContact O-N 2.89Å
868	Y	97.4	Very high	95.9	Very high	79 Å²	79	20.8 Å²	20.8	31%	0.31	11%	0.106	S	C	.	.	H	α-helix	trans	-61	-41.5	176.3	178.3	-121	0	0	0	112.8	P828 V832 N864 V866 G872	P828-Y868 HydrophobicContact CB-CD1 3.97Å; P828-Y868 HydrophobicContact CB-CE1 4.45Å; V832-Y868 HydrophobicContact CB-CE1 3.92Å; V832-Y868 HydrophobicContact CG1-CE1 4.28Å; V832-Y868 HydrophobicContact CG1-CE2 4.05Å; V832-Y868 HydrophobicContact CG2-CD1 3.82Å; V832-Y868 HydrophobicContact CG2-CD2 4.47Å; V832-Y868 HydrophobicContact CG2-CE1 3.65Å; V832-Y868 HydrophobicContact CG2-CE2 4.3Å; V832-Y868 HydrophobicContact CG2-CG 4.25Å; V832-Y868 WeakPolarHBondContact CG2-O 3.27Å; N864-Y868 WeakPolarHBondContact O-CB 3.4Å; N864-Y868 PolarHBondContact O-N 2.95Å; V866-Y868 VanDerWaalsContact C-N 3.34Å; V866-Y868 PolarHBondContact O-N 3.36Å; Y868-G872 WeakPolarHBondContact O-CA 3.39Å; Y868-G872 PolarHBondContact O-N 3.46Å
869	M	98	Very high	96	Very high	3 Å²	3	19.7 Å²	19.7	2%	0.015	10%	0.103	C	C	.	.	H	α-helix	trans	-66.6	-46	175.2	-74.3	-171.8	-67.5	0	0	112.2	P828 V831 L848 M855 F859 S865 V866 S867 V873	P828-M869 HydrophobicContact CB-CG 3.86Å; P828-M869 HydrophobicContact CB-SD 4.25Å; P828-M869 HydrophobicContact CG-CG 4.49Å; P828-M869 HydrophobicContact CG-SD 4.31Å; V831-M869 HydrophobicContact CB-SD 4.46Å; L848-M869 HydrophobicContact CD1-CB 4.14Å; M855-M869 HydrophobicContact CB-CE 4.42Å; M855-M869 HydrophobicContact CE-SD 4.47Å; M855-M869 HydrophobicContact CG-CE 4.5Å; M855-M869 HydrophobicContact SD-CE 4.27Å; M855-M869 HydrophobicContact SD-SD 4.31Å; F859-M869 HydrophobicContact CD2-CE 4.29Å; S865-M869 WeakPolarHBondContact O-CG 3.47Å; S865-M869 PolarHBondContact O-N 2.91Å; V866-M869 HydrophobicContact CG2-CE 4.46Å; V866-M869 PolarHBondContact O-N 3.5Å; S867-M869 PolarHBondContact O-N 3.39Å; M869-V873 WeakPolarHBondContact O-CB 3.3Å; M869-V873 WeakPolarHBondContact O-CG2 3.35Å; M869-V873 PolarHBondContact O-N 3.06Å; M869-V873 VanDerWaalsContact O-N 3.13Å
870	V	97.9	Very high	96.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-60.1	-54.2	179.7	168.3	0	0	0	0	110.4	W852 V866 S867 T874 F890 T907	W852-V870 HydrophobicContact CH2-CG2 3.73Å; W852-V870 HydrophobicContact CZ3-CG2 3.68Å; V866-V870 HydrophobicContact CG1-CG2 4.28Å; V866-V870 WeakPolarHBondContact O-CG2 3.34Å; V866-V870 PolarHBondContact O-N 2.61Å; S867-V870 PolarHBondContact O-N 3.1Å; V870-T874 WeakPolarHBondContact O-CB 3.29Å; V870-T874 WeakPolarHBondContact O-CG2 3.41Å; V870-T874 PolarHBondContact O-N 2.91Å; V870-T874 PolarHBondContact O-OG1 3.03Å; V870-F890 HydrophobicContact CG1-CE2 4.19Å; V870-F890 HydrophobicContact CG1-CZ 3.75Å; V870-F890 HydrophobicContact CG2-CE1 4.36Å; V870-F890 HydrophobicContact CG2-CZ 4.1Å; V870-T907 WeakPolarHBondContact CG1-OG1 3.36Å
871	L	96.5	Very high	96.3	Very high	37 Å²	37	32.6 Å²	32.6	19%	0.194	16%	0.155	C	C	.	.	H	α-helix	trans	-66	-48.3	-179.7	-67.1	167.6	0	0	0	111	S867 V873 T874 N875 C903 Q906	S867-L871 WeakPolarHBondContact O-CB 3.49Å; S867-L871 WeakPolarHBondContact O-CG 3.39Å; S867-L871 PolarHBondContact O-N 2.89Å; L871-V873 VanDerWaalsContact C-N 3.28Å; L871-V873 PolarHBondContact O-N 3.4Å; L871-T874 PolarHBondContact O-N 3.35Å; L871-T874 VanDerWaalsContact O-N 3.13Å; L871-N875 WeakPolarHBondContact O-CB 3.25Å; L871-N875 PolarHBondContact O-N 3.17Å; L871-N875 PolarHBondContact O-OD1 2.99Å; L871-C903 HydrophobicContact CD1-CB 4.39Å; L871-C903 HydrophobicContact CG-CB 4.31Å; L871-Q906 HydrophobicContact CD2-CB 3.9Å
872	G	96.5	Very high	96.5	Very high	3 Å²	3	32.6 Å²	32.6	3%	0.031	15%	0.154	C	C	.	.	H	α-helix	trans	-66.1	-24.8	-174	0	0	0	0	0	115	Y868	Y868-G872 WeakPolarHBondContact O-CA 3.39Å; Y868-G872 PolarHBondContact O-N 3.46Å
873	V	97.7	Very high	96.7	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.006	16%	0.158	C	C	.	.	H	α-helix	trans	-84.3	-27.6	175.3	171.8	0	0	0	0	112.2	V831 A844 W845 L848 M869 L871	V831-V873 HydrophobicContact CG1-CG2 3.66Å; A844-V873 HydrophobicContact CB-CG1 4.27Å; A844-V873 HydrophobicContact CB-CG2 4.13Å; W845-V873 HydrophobicContact CB-CG1 3.85Å; W845-V873 HydrophobicContact CE3-CG1 4.2Å; L848-V873 HydrophobicContact CD1-CB 4.45Å; L848-V873 HydrophobicContact CD1-CG2 4.26Å; M869-V873 WeakPolarHBondContact O-CB 3.3Å; M869-V873 WeakPolarHBondContact O-CG2 3.35Å; M869-V873 PolarHBondContact O-N 3.06Å; M869-V873 VanDerWaalsContact O-N 3.13Å; L871-V873 VanDerWaalsContact C-N 3.28Å; L871-V873 PolarHBondContact O-N 3.4Å
874	T	96.7	Very high	96.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-113.9	-23.4	-166.8	63.3	0	0	0	0	114.5	W845 V870 L871 Q876 Y877 I886 T907	W845-T874 HydrophobicContact CE3-CG2 4.03Å; W845-T874 HydrophobicContact CZ3-CG2 4.04Å; V870-T874 WeakPolarHBondContact O-CB 3.29Å; V870-T874 WeakPolarHBondContact O-CG2 3.41Å; V870-T874 PolarHBondContact O-N 2.91Å; V870-T874 PolarHBondContact O-OG1 3.03Å; L871-T874 PolarHBondContact O-N 3.35Å; L871-T874 VanDerWaalsContact O-N 3.13Å; T874-Q876 PolarHBondContact O-N 3.42Å; T874-Y877 VanDerWaalsContact O-CB 3.32Å; T874-Y877 WeakPolarHBondContact O-CB 3.43Å; T874-Y877 PolarHBondContact O-N 2.61Å; T874-I886 HydrophobicContact CG2-CD1 3.62Å; T874-I886 HydrophobicContact CG2-CG1 4.35Å; T874-T907 HydrophobicContact CG2-CG2 4.29Å; T874-T907 WeakPolarHBondContact OG1-CG2 3.12Å; T874-T907 PolarHBondContact OG1-OG1 3.46Å
875	N	92.7	Very high	96.9	Very high	40 Å²	40	38.5 Å²	38.5	21%	0.214	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-8	-171.4	71.8	-9.2	0	0	0	115.6	L871 T910 N914	L871-N875 WeakPolarHBondContact O-CB 3.25Å; L871-N875 PolarHBondContact O-N 3.17Å; L871-N875 PolarHBondContact O-OD1 2.99Å; N875-T910 HydrophobicContact CB-CG2 3.99Å; N875-N914 PolarHBondContact O-ND2 2.76Å
876	Q	95.4	Very high	96.9	Very high	32 Å²	32	37.8 Å²	37.8	15%	0.15	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	8.6	175.1	-69.6	173.5	-0.6	0	0	112.8	K684 T874	K684-Q876 HydrophobicContact CD-CB 4.19Å; T874-Q876 PolarHBondContact O-N 3.42Å
877	Y	97.4	Very high	96.9	Very high	5 Å²	5	41.4 Å²	41.4	2%	0.02	19%	0.187	C	C	.	.			trans	-79.4	143.3	173	-69.5	-0.6	0	0	0	110.4	K684 Y841 W845 T874 M882 I886 N914	K684-Y877 HydrophobicContact CD-CD1 3.69Å; K684-Y877 HydrophobicContact CD-CE1 3.78Å; Y841-Y877 AromaticContact CD2-CE1 3.74Å; Y841-Y877 HydrophobicContact CD2-CE1 3.74Å; Y841-Y877 HydrophobicContact CE2-CE1 4.41Å; W845-Y877 WeakPolarHBondContact CB-OH 3.46Å; T874-Y877 VanDerWaalsContact O-CB 3.32Å; T874-Y877 WeakPolarHBondContact O-CB 3.43Å; T874-Y877 PolarHBondContact O-N 2.61Å; Y877-M882 HydrophobicContact CD1-SD 3.86Å; Y877-M882 HydrophobicContact CD2-CB 3.87Å; Y877-M882 HydrophobicContact CD2-CG 4.25Å; Y877-M882 HydrophobicContact CD2-SD 4.23Å; Y877-M882 HydrophobicContact CG-CB 4.09Å; Y877-M882 HydrophobicContact CG-CG 4.25Å; Y877-M882 HydrophobicContact CG-SD 3.65Å; Y877-I886 HydrophobicContact CD2-CD1 4.02Å; Y877-I886 HydrophobicContact CD2-CG1 4.07Å; Y877-I886 HydrophobicContact CE2-CD1 3.84Å; Y877-I886 HydrophobicContact CE2-CG1 4.39Å; Y877-N914 WeakPolarHBondContact O-CB 3.49Å; Y877-N914 PolarHBondContact O-ND2 2.72Å
878	S	96.9	Very high	96.9	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.014	21%	0.207	C	C	.	.			trans	-147.3	22.7	-168.5	63.6	0	0	0	0	113.8	R685 I915	R685-S878 PolarHBondContact NH1-O 2.91Å; R685-S878 PolarHBondContact NH1-OG 2.6Å; S878-I915 VanDerWaalsContact C-CG1 3.45Å; S878-I915 WeakPolarHBondContact O-CG1 3.28Å
879	T	97.3	Very high	96.9	Very high	20 Å²	20	41.9 Å²	41.9	12%	0.123	20%	0.198	C	C	.	.	S	Bend	trans	-127.1	155.6	174.2	90.7	0	0	0	0	111.9	E881 M882 L883	T879-E881 VanDerWaalsContact C-N 3.26Å; T879-E881 WeakPolarHBondContact CB-OE2 3.38Å; T879-E881 PolarHBondContact O-N 2.91Å; T879-E881 PolarHBondContact OG1-N 3.19Å; T879-E881 PolarHBondContact OG1-OE2 3.39Å; T879-M882 HydrophobicContact CG2-CE 4.49Å; T879-M882 HydrophobicContact CG2-SD 4.15Å; T879-M882 PolarHBondContact O-N 3.1Å; T879-M882 WeakPolarHBondContact OG1-CG 3.04Å; T879-M882 PolarHBondContact OG1-N 3.49Å; T879-L883 PolarHBondContact O-N 2.97Å
880	R	97.5	Very high	96.9	Very high	174 Å²	174	41.8 Å²	41.8	66%	0.657	20%	0.198	S	C	*	.	H	α-helix	trans	-64.1	-34	178.7	-63.8	-178.8	-174.4	-177.6	1.9	111.9	L883 Q884 I915	R880-L883 PolarHBondContact O-N 2.91Å; R880-Q884 WeakPolarHBondContact O-CB 2.94Å; R880-Q884 PolarHBondContact O-N 3.47Å; R880-I915 HydrophobicContact CG-CD1 4.26Å; R880-I915 HydrophobicContact CG-CG2 4.46Å
881	E	97.3	Very high	96.7	Very high	132 Å²	132	46.8 Å²	46.8	62%	0.617	23%	0.225	S	C	*	.	H	α-helix	trans	-66.3	-44.6	176.8	-57.4	71.4	-153.9	0	0	110.9	T879 Q884 E885	T879-E881 VanDerWaalsContact C-N 3.26Å; T879-E881 WeakPolarHBondContact CB-OE2 3.38Å; T879-E881 PolarHBondContact O-N 2.91Å; T879-E881 PolarHBondContact OG1-N 3.19Å; T879-E881 PolarHBondContact OG1-OE2 3.39Å; E881-Q884 PolarHBondContact O-N 2.9Å; E881-E885 PolarHBondContact O-N 3.17Å
882	M	97.1	Very high	96.7	Very high	23 Å²	23	49.1 Å²	49.1	11%	0.113	24%	0.244	C	C	.	.	H	α-helix	trans	-60.5	-48.2	174.3	-69.1	175.8	174.8	0	0	110.5	K684 Y841 Y877 T879 Q884 E885 I886	K684-M882 HydrophobicContact CB-CE 4.29Å; K684-M882 WeakPolarHBondContact O-CE 3.48Å; Y841-M882 HydrophobicContact CE2-CE 4.31Å; Y877-M882 HydrophobicContact CD1-SD 3.86Å; Y877-M882 HydrophobicContact CD2-CB 3.87Å; Y877-M882 HydrophobicContact CD2-CG 4.25Å; Y877-M882 HydrophobicContact CD2-SD 4.23Å; Y877-M882 HydrophobicContact CG-CB 4.09Å; Y877-M882 HydrophobicContact CG-CG 4.25Å; Y877-M882 HydrophobicContact CG-SD 3.65Å; T879-M882 HydrophobicContact CG2-CE 4.49Å; T879-M882 HydrophobicContact CG2-SD 4.15Å; T879-M882 PolarHBondContact O-N 3.1Å; T879-M882 WeakPolarHBondContact OG1-CG 3.04Å; T879-M882 PolarHBondContact OG1-N 3.49Å; M882-Q884 VanDerWaalsContact C-N 3.32Å; M882-Q884 PolarHBondContact O-N 2.83Å; M882-E885 WeakPolarHBondContact O-CB 3.32Å; M882-E885 PolarHBondContact O-N 3.01Å; M882-E885 VanDerWaalsContact O-N 3.17Å; M882-I886 WeakPolarHBondContact O-CG1 3.17Å; M882-I886 PolarHBondContact O-N 2.61Å
883	L	97.8	Very high	96.7	Very high	18 Å²	18	49.9 Å²	49.9	9%	0.094	25%	0.247	C	C	.	.	H	α-helix	trans	-57.1	-45.1	177.2	179.2	58.6	0	0	0	112.2	T879 R880 E885 I886 R887 Y908 I911 E912 I915	T879-L883 PolarHBondContact O-N 2.97Å; R880-L883 PolarHBondContact O-N 2.91Å; L883-E885 VanDerWaalsContact C-N 3.32Å; L883-E885 PolarHBondContact O-N 2.89Å; L883-I886 PolarHBondContact O-N 3.49Å; L883-R887 HydrophobicContact CD1-CG 4.25Å; L883-R887 WeakPolarHBondContact O-CB 3.26Å; L883-R887 WeakPolarHBondContact O-CG 3.26Å; L883-R887 PolarHBondContact O-N 2.91Å; L883-Y908 HydrophobicContact CD1-CD1 4.28Å; L883-I911 HydrophobicContact CB-CG2 3.77Å; L883-I911 HydrophobicContact CD1-CB 4.12Å; L883-I911 HydrophobicContact CD1-CG2 4.04Å; L883-I911 HydrophobicContact CG-CG2 4.36Å; L883-E912 HydrophobicContact CD2-CG 3.55Å; L883-I915 HydrophobicContact CB-CD1 4.23Å; L883-I915 HydrophobicContact CD2-CD1 4.07Å
884	Q	97.8	Very high	96.6	Very high	133 Å²	133	53.5 Å²	53.5	62%	0.621	27%	0.269	S	S	*	.	H	α-helix	trans	-63.5	-38.5	178.6	-174	176.8	9.9	0	0	111.9	R880 E881 M882 S888	R880-Q884 WeakPolarHBondContact O-CB 2.94Å; R880-Q884 PolarHBondContact O-N 3.47Å; E881-Q884 PolarHBondContact O-N 2.9Å; M882-Q884 VanDerWaalsContact C-N 3.32Å; M882-Q884 PolarHBondContact O-N 2.83Å; Q884-S888 WeakPolarHBondContact O-CB 3.39Å; Q884-S888 PolarHBondContact O-N 3.05Å; Q884-S888 PolarHBondContact O-OG 3.13Å
885	E	96.9	Very high	96.2	Very high	72 Å²	72	59.9 Å²	59.9	34%	0.336	30%	0.299	S	S	.	.	H	α-helix	trans	-62.9	-45.1	174.7	-176.8	178.4	-178	0	0	111.9	W845 R849 E881 M882 L883 S888 F889	W845-E885 VanDerWaalsContact NE1-CD 3.33Å; W845-E885 PolarHBondContact NE1-OE1 3.34Å; R849-E885 IonicContact CZ-OE1 3.38Å; R849-E885 IonicContact NH1-OE1 3.47Å; R849-E885 PolarHBondContact NH1-OE1 3.21Å; R849-E885 IonicContact NH2-OE1 2.95Å; R849-E885 PolarHBondContact NH2-OE1 2.96Å; E881-E885 PolarHBondContact O-N 3.17Å; M882-E885 WeakPolarHBondContact O-CB 3.32Å; M882-E885 PolarHBondContact O-N 3.01Å; M882-E885 VanDerWaalsContact O-N 3.17Å; L883-E885 VanDerWaalsContact C-N 3.32Å; L883-E885 PolarHBondContact O-N 2.89Å; E885-S888 PolarHBondContact O-N 2.73Å; E885-F889 PolarHBondContact O-N 3.04Å
886	I	96.9	Very high	96	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-62	-49.2	177	-61.3	-52.4	0	0	0	110.6	W845 T874 Y877 M882 L883 S888 F889 F890 T907 Y908 I911	W845-I886 HydrophobicContact CD2-CD1 3.74Å; W845-I886 VanDerWaalsContact CE2-CD1 3.47Å; W845-I886 HydrophobicContact CE3-CD1 3.76Å; W845-I886 HydrophobicContact CH2-CD1 3.32Å; W845-I886 HydrophobicContact CH2-CG1 4.5Å; W845-I886 HydrophobicContact CH2-CG2 4.46Å; W845-I886 HydrophobicContact CZ2-CD1 3.26Å; W845-I886 HydrophobicContact CZ2-CG1 4.43Å; W845-I886 HydrophobicContact CZ3-CD1 3.56Å; T874-I886 HydrophobicContact CG2-CD1 3.62Å; T874-I886 HydrophobicContact CG2-CG1 4.35Å; Y877-I886 HydrophobicContact CD2-CD1 4.02Å; Y877-I886 HydrophobicContact CD2-CG1 4.07Å; Y877-I886 HydrophobicContact CE2-CD1 3.84Å; Y877-I886 HydrophobicContact CE2-CG1 4.39Å; M882-I886 WeakPolarHBondContact O-CG1 3.17Å; M882-I886 PolarHBondContact O-N 2.61Å; L883-I886 PolarHBondContact O-N 3.49Å; I886-S888 PolarHBondContact O-N 3.31Å; I886-F889 PolarHBondContact O-N 3.22Å; I886-F890 HydrophobicContact CG2-CD2 3.48Å; I886-F890 VanDerWaalsContact CG2-CD2 3.48Å; I886-F890 HydrophobicContact CG2-CE2 3.52Å; I886-F890 PolarHBondContact O-N 3.19Å; I886-F890 VanDerWaalsContact O-N 3.07Å; I886-T907 HydrophobicContact CG2-CG2 3.82Å; I886-Y908 HydrophobicContact CG2-CD1 4.32Å; I886-Y908 HydrophobicContact CG2-CE1 3.98Å; I886-I911 HydrophobicContact CB-CD1 4.47Å; I886-I911 HydrophobicContact CG1-CD1 3.91Å
887	R	97.3	Very high	95.9	Very high	78 Å²	78	65.7 Å²	65.7	29%	0.294	33%	0.327	S	S	.	.	H	α-helix	trans	-57.9	-46.3	177	-75.7	179.6	174.6	-80.1	2.4	111.9	L883 F889 F890 D891 Y908 E912	L883-R887 HydrophobicContact CD1-CG 4.25Å; L883-R887 WeakPolarHBondContact O-CB 3.26Å; L883-R887 WeakPolarHBondContact O-CG 3.26Å; L883-R887 PolarHBondContact O-N 2.91Å; R887-F889 PolarHBondContact O-N 3.33Å; R887-F890 PolarHBondContact O-N 2.96Å; R887-D891 WeakPolarHBondContact O-CB 3.39Å; R887-D891 PolarHBondContact O-N 3.13Å; R887-Y908 HydrophobicContact CB-CE1 4.27Å; R887-Y908 HydrophobicContact CG-CD1 3.86Å; R887-Y908 HydrophobicContact CG-CE1 3.51Å; R887-Y908 HydrophobicContact CG-CE2 4.42Å; R887-Y908 HydrophobicContact CG-CG 4.46Å; R887-E912 IonicContact CZ-OE1 2.72Å; R887-E912 IonicContact NE-OE1 2.69Å; R887-E912 IonicContact NH2-OE1 3.74Å; R887-E912 PolarHBondContact NH2-OE1 2.91Å
888	S	96.8	Very high	95.6	Very high	76 Å²	76	65.6 Å²	65.6	53%	0.531	33%	0.327	S	S	.	.	H	α-helix	trans	-57.8	-35.3	-180	-58.7	0	0	0	0	112.8	Q884 E885 I886 S892	Q884-S888 WeakPolarHBondContact O-CB 3.39Å; Q884-S888 PolarHBondContact O-N 3.05Å; Q884-S888 PolarHBondContact O-OG 3.13Å; E885-S888 PolarHBondContact O-N 2.73Å; I886-S888 PolarHBondContact O-N 3.31Å; S888-S892 WeakPolarHBondContact O-CB 3.27Å
889	F	97.4	Very high	95.5	Very high	30 Å²	30	67.3 Å²	67.3	13%	0.132	34%	0.339	C	S	.	.	H	α-helix	trans	-75.2	-55.8	176.9	174.8	-107.9	0	0	0	111.8	W845 L848 R849 W852 E885 I886 R887 D891 S892 L893	W845-F889 HydrophobicContact CH2-CB 4.02Å; W845-F889 AromaticContact CH2-CD1 3.66Å; W845-F889 HydrophobicContact CH2-CD1 3.66Å; W845-F889 HydrophobicContact CH2-CE1 4.48Å; W845-F889 HydrophobicContact CH2-CG 4.06Å; W845-F889 HydrophobicContact CZ2-CB 4.02Å; W845-F889 HydrophobicContact CZ2-CD1 4.41Å; W845-F889 HydrophobicContact CZ2-CG 4.38Å; W845-F889 HydrophobicContact CZ3-CD1 4.38Å; L848-F889 HydrophobicContact CD2-CE1 4.3Å; R849-F889 HydrophobicContact CB-CD2 4.2Å; R849-F889 HydrophobicContact CB-CE2 3.98Å; R849-F889 HydrophobicContact CB-CZ 4.3Å; R849-F889 HydrophobicContact CG-CB 4.5Å; R849-F889 HydrophobicContact CG-CD1 4.05Å; R849-F889 HydrophobicContact CG-CD2 3.77Å; R849-F889 HydrophobicContact CG-CE1 4.2Å; R849-F889 HydrophobicContact CG-CE2 3.94Å; R849-F889 HydrophobicContact CG-CG 3.82Å; R849-F889 HydrophobicContact CG-CZ 4.16Å; W852-F889 HydrophobicContact CB-CZ 3.88Å; W852-F889 HydrophobicContact CD2-CE1 4.36Å; W852-F889 HydrophobicContact CD2-CZ 4.2Å; W852-F889 HydrophobicContact CE3-CE1 4.46Å; W852-F889 AromaticContact CG-CZ 3.89Å; W852-F889 HydrophobicContact CG-CZ 3.89Å; E885-F889 PolarHBondContact O-N 3.04Å; I886-F889 PolarHBondContact O-N 3.22Å; R887-F889 PolarHBondContact O-N 3.33Å; F889-D891 PolarHBondContact O-N 3.43Å; F889-S892 WeakPolarHBondContact O-CB 3.41Å; F889-S892 PolarHBondContact O-N 2.8Å; F889-S892 VanDerWaalsContact O-N 3.11Å; F889-S892 PolarHBondContact O-OG 2.89Å; F889-L893 HydrophobicContact CE1-CD1 4.5Å; F889-L893 HydrophobicContact CZ-CD2 4.36Å
890	F	96.5	Very high	95.2	Very high	2 Å²	2	74 Å²	74	1%	0.009	37%	0.366	C	S	.	.	H	α-helix	trans	-70.2	-32.4	-174.1	-71.8	-54.1	0	0	0	113	W845 W852 V870 I886 R887 S892 L893 I904 Y908	W845-F890 HydrophobicContact CH2-CE2 4.19Å; W845-F890 HydrophobicContact CH2-CZ 4.39Å; W845-F890 HydrophobicContact CZ3-CE2 4.28Å; W845-F890 HydrophobicContact CZ3-CZ 4.22Å; W852-F890 HydrophobicContact CH2-CE1 4.06Å; W852-F890 HydrophobicContact CZ2-CE1 4.45Å; W852-F890 HydrophobicContact CZ3-CE1 4.28Å; V870-F890 HydrophobicContact CG1-CE2 4.19Å; V870-F890 HydrophobicContact CG1-CZ 3.75Å; V870-F890 HydrophobicContact CG2-CE1 4.36Å; V870-F890 HydrophobicContact CG2-CZ 4.1Å; I886-F890 HydrophobicContact CG2-CD2 3.48Å; I886-F890 VanDerWaalsContact CG2-CD2 3.48Å; I886-F890 HydrophobicContact CG2-CE2 3.52Å; I886-F890 PolarHBondContact O-N 3.19Å; I886-F890 VanDerWaalsContact O-N 3.07Å; R887-F890 PolarHBondContact O-N 2.96Å; F890-S892 PolarHBondContact O-N 3.23Å; F890-L893 HydrophobicContact CD1-CD1 3.73Å; F890-L893 HydrophobicContact CE1-CD1 4.48Å; F890-L893 WeakPolarHBondContact O-CB 3.42Å; F890-L893 PolarHBondContact O-N 3.25Å; F890-L893 VanDerWaalsContact O-N 3.16Å; F890-I904 HydrophobicContact CB-CD1 4.15Å; F890-I904 HydrophobicContact CB-CG2 3.7Å; F890-I904 HydrophobicContact CD1-CD1 3.59Å; F890-I904 HydrophobicContact CD1-CG1 3.85Å; F890-I904 HydrophobicContact CD2-CG1 4.36Å; F890-I904 HydrophobicContact CD2-CG2 3.96Å; F890-I904 HydrophobicContact CE1-CD1 4.18Å; F890-I904 HydrophobicContact CE1-CG1 4.1Å; F890-I904 HydrophobicContact CG-CD1 3.95Å; F890-I904 HydrophobicContact CG-CG1 4.01Å; F890-I904 HydrophobicContact CG-CG2 3.84Å; F890-I904 HydrophobicContact CZ-CG1 4.48Å; F890-Y908 VanDerWaalsContact CB-OH 3.29Å; F890-Y908 WeakPolarHBondContact CB-OH 3.45Å; F890-Y908 HydrophobicContact CD2-CE1 4.28Å
891	D	94.8	Very high	95.1	Very high	105 Å²	105	66 Å²	66	56%	0.561	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-16.2	174.3	-61.8	-14.1	0	0	0	112.2	R887 F889 L893 Y908	R887-D891 WeakPolarHBondContact O-CB 3.39Å; R887-D891 PolarHBondContact O-N 3.13Å; F889-D891 PolarHBondContact O-N 3.43Å; D891-L893 VanDerWaalsContact C-N 3.32Å; D891-Y908 PolarHBondContact OD1-OH 3.46Å
892	S	96.2	Very high	95.1	Very high	85 Å²	85	61.8 Å²	61.8	59%	0.594	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-11.8	173.5	80.3	0	0	0	0	113.6	S888 F889 F890	S888-S892 WeakPolarHBondContact O-CB 3.27Å; F889-S892 WeakPolarHBondContact O-CB 3.41Å; F889-S892 PolarHBondContact O-N 2.8Å; F889-S892 VanDerWaalsContact O-N 3.11Å; F889-S892 PolarHBondContact O-OG 2.89Å; F890-S892 PolarHBondContact O-N 3.23Å
893	L	96.3	Very high	95	Very high	20 Å²	20	60.7 Å²	60.7	11%	0.105	31%	0.31	C	S	.	.			trans	-77.2	155.6	179.5	-58.4	-179	0	0	0	111.4	W852 F889 F890 D891 T897 S899	W852-L893 HydrophobicContact CZ2-CD1 4.02Å; F889-L893 HydrophobicContact CE1-CD1 4.5Å; F889-L893 HydrophobicContact CZ-CD2 4.36Å; F890-L893 HydrophobicContact CD1-CD1 3.73Å; F890-L893 HydrophobicContact CE1-CD1 4.48Å; F890-L893 WeakPolarHBondContact O-CB 3.42Å; F890-L893 PolarHBondContact O-N 3.25Å; F890-L893 VanDerWaalsContact O-N 3.16Å; D891-L893 VanDerWaalsContact C-N 3.32Å; L893-T897 WeakPolarHBondContact CB-OG1 3.45Å; L893-S899 VanDerWaalsContact O-CB 3.3Å; L893-S899 WeakPolarHBondContact O-CB 3.2Å
894	T	94.8	Very high	94.9	Very high	76 Å²	76	60.1 Å²	60.1	47%	0.466	31%	0.307	S	S	.	.			trans	-92.7	170.6	168.8	65.5	0	0	0	0	109.7	E896 T897 G898 S899	T894-E896 VanDerWaalsContact C-N 3.28Å; T894-E896 PolarHBondContact O-N 3.42Å; T894-T897 PolarHBondContact N-OG1 3.32Å; T894-T897 CarbonylContact O-C 3.59Å; T894-T897 PolarHBondContact O-N 3.35Å; T894-T897 PolarHBondContact O-OG1 2.84Å; T894-T897 WeakPolarHBondContact OG1-CG2 3.35Å; T894-T897 PolarHBondContact OG1-N 2.69Å; T894-T897 PolarHBondContact OG1-OG1 3.32Å; T894-G898 PolarHBondContact O-N 2.82Å; T894-S899 VanDerWaalsContact C-OG 3.23Å; T894-S899 WeakPolarHBondContact O-CB 3.22Å; T894-S899 PolarHBondContact O-N 2.89Å; T894-S899 PolarHBondContact O-OG 3.26Å
895	E	89.1	Confident	94.8	Very high	134 Å²	134	57.9 Å²	57.9	63%	0.626	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-59.3	-42.4	174.4	-173.3	173.2	167.6	0	0	111.4	T897 G898 S899 K900	E895-T897 PolarHBondContact O-N 3.48Å; E895-T897 VanDerWaalsContact O-N 3.17Å; E895-G898 PolarHBondContact O-N 3.41Å; E895-G898 VanDerWaalsContact O-N 3.11Å; E895-S899 PolarHBondContact N-OG 3.05Å; E895-K900 HydrophobicContact CG-CG 4.1Å
896	E	88.7	Confident	94.7	Very high	172 Å²	172	55.1 Å²	55.1	80%	0.804	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-63.6	-18.4	175.4	-63	-178.1	174.3	0	0	113.8	L861 T894	L861-E896 WeakPolarHBondContact CD1-O 3.45Å; T894-E896 VanDerWaalsContact C-N 3.28Å; T894-E896 PolarHBondContact O-N 3.42Å
897	T	92.9	Very high	94.7	Very high	23 Å²	23	55.1 Å²	55.1	14%	0.141	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-111	8.1	177.9	66.7	0	0	0	0	112.9	W852 L893 T894 E895	W852-T897 PolarHBondContact NE1-O 2.94Å; L893-T897 WeakPolarHBondContact CB-OG1 3.45Å; T894-T897 PolarHBondContact N-OG1 3.32Å; T894-T897 CarbonylContact O-C 3.59Å; T894-T897 PolarHBondContact O-N 3.35Å; T894-T897 PolarHBondContact O-OG1 2.84Å; T894-T897 WeakPolarHBondContact OG1-CG2 3.35Å; T894-T897 PolarHBondContact OG1-N 2.69Å; T894-T897 PolarHBondContact OG1-OG1 3.32Å; E895-T897 PolarHBondContact O-N 3.48Å; E895-T897 VanDerWaalsContact O-N 3.17Å
898	G	92.4	Very high	94.6	Very high	2 Å²	2	51.8 Å²	51.8	2%	0.021	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	106.8	11.6	165.5	0	0	0	0	0	116.8	T894 E895 K900 M901 I904	T894-G898 PolarHBondContact O-N 2.82Å; E895-G898 PolarHBondContact O-N 3.41Å; E895-G898 VanDerWaalsContact O-N 3.11Å; G898-K900 PolarHBondContact O-N 2.84Å; G898-M901 WeakPolarHBondContact O-CG 3.34Å; G898-M901 PolarHBondContact O-N 2.98Å; G898-I904 WeakPolarHBondContact O-CD1 3.43Å
899	S	92.9	Very high	94.5	Very high	38 Å²	38	49.1 Å²	49.1	27%	0.266	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-12.3	-176.2	68.7	0	0	0	0	115.5	L893 T894 E895	L893-S899 VanDerWaalsContact O-CB 3.3Å; L893-S899 WeakPolarHBondContact O-CB 3.2Å; T894-S899 VanDerWaalsContact C-OG 3.23Å; T894-S899 WeakPolarHBondContact O-CB 3.22Å; T894-S899 PolarHBondContact O-N 2.89Å; T894-S899 PolarHBondContact O-OG 3.26Å; E895-S899 PolarHBondContact N-OG 3.05Å
900	K	92.8	Very high	94.4	Very high	162 Å²	162	48.7 Å²	48.7	70%	0.704	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.7	4.4	179.5	-63	-59.7	-173.3	-176.8	0	114.4	E895 G898	E895-K900 HydrophobicContact CG-CG 4.1Å; G898-K900 PolarHBondContact O-N 2.84Å
901	M	95.3	Very high	94.4	Very high	5 Å²	5	48.6 Å²	48.6	3%	0.025	25%	0.249	C	C	.	.			trans	-66.6	137.6	-178.5	-69.9	-172.4	-55.1	0	0	112.2	T417 E421 W852 L861 G862 V866 G898 C903 I904	T417-M901 HydrophobicContact CG2-CG 4.44Å; E421-M901 WeakPolarHBondContact OE1-CA 3.45Å; E421-M901 WeakPolarHBondContact OE1-CB 3.03Å; W852-M901 HydrophobicContact CH2-CE 3.56Å; W852-M901 HydrophobicContact CZ2-CE 3.53Å; L861-M901 HydrophobicContact CB-SD 4.12Å; L861-M901 HydrophobicContact CD2-CE 4.04Å; L861-M901 HydrophobicContact CD2-SD 3.61Å; L861-M901 HydrophobicContact CG-SD 4.47Å; G862-M901 PolarHBondContact N-SD 3.33Å; V866-M901 HydrophobicContact CG1-CE 4.02Å; V866-M901 HydrophobicContact CG1-SD 4.25Å; G898-M901 WeakPolarHBondContact O-CG 3.34Å; G898-M901 PolarHBondContact O-N 2.98Å; M901-C903 VanDerWaalsContact C-N 3.28Å; M901-C903 PolarHBondContact O-N 2.91Å; M901-I904 HydrophobicContact CB-CD1 4.25Å; M901-I904 HydrophobicContact CB-CG1 4.35Å; M901-I904 HydrophobicContact CE-CD1 4.07Å; M901-I904 HydrophobicContact CE-CG1 4.4Å; M901-I904 WeakPolarHBondContact O-CB 3.41Å; M901-I904 PolarHBondContact O-N 2.9Å; M901-I904 VanDerWaalsContact O-N 3.15Å
902	R	95.5	Very high	94.5	Very high	43 Å²	43	46.6 Å²	46.6	16%	0.162	24%	0.236	C	C	.	.	H	α-helix	trans	-57.3	-40.1	179.8	-170.9	-173.7	-61.5	149	2.3	112.1	S405 H407 E421 D424 I904 Q905 Q906	S405-R902 WeakPolarHBondContact O-CG 3.46Å; H407-R902 PolarHBondContact CD2-NH1 3.3Å; H407-R902 PolarHBondContact NE2-NH1 2.78Å; E421-R902 PolarHBondContact O-NH1 2.91Å; E421-R902 PolarHBondContact OE1-N 3.27Å; D424-R902 IonicContact OD2-NH1 2.86Å; D424-R902 PolarHBondContact OD2-NH1 3.44Å; R902-I904 PolarHBondContact O-N 3.46Å; R902-I904 VanDerWaalsContact O-N 3.16Å; R902-Q905 PolarHBondContact O-N 3.17Å; R902-Q906 HydrophobicContact CG-CG 4.42Å; R902-Q906 PolarHBondContact O-N 3.21Å
903	C	96.1	Very high	94.3	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.007	21%	0.208	C	C	.	.	H	α-helix	trans	-62	-24	-178.7	64.4	0	0	0	0	114	L871 M901 T907	L871-C903 HydrophobicContact CD1-CB 4.39Å; L871-C903 HydrophobicContact CG-CB 4.31Å; M901-C903 VanDerWaalsContact C-N 3.28Å; M901-C903 PolarHBondContact O-N 2.91Å; C903-T907 WeakPolarHBondContact O-CB 3.25Å; C903-T907 PolarHBondContact O-N 3.11Å; C903-T907 PolarHBondContact O-OG1 2.82Å
904	I	96.3	Very high	94.3	Very high	6 Å²	6	42.3 Å²	42.3	3%	0.031	21%	0.207	C	C	.	.	H	α-helix	trans	-70.9	-44.7	174.2	-65.3	174.3	0	0	0	110.1	F890 G898 M901 R902 T907 Y908	F890-I904 HydrophobicContact CB-CD1 4.15Å; F890-I904 HydrophobicContact CB-CG2 3.7Å; F890-I904 HydrophobicContact CD1-CD1 3.59Å; F890-I904 HydrophobicContact CD1-CG1 3.85Å; F890-I904 HydrophobicContact CD2-CG1 4.36Å; F890-I904 HydrophobicContact CD2-CG2 3.96Å; F890-I904 HydrophobicContact CE1-CD1 4.18Å; F890-I904 HydrophobicContact CE1-CG1 4.1Å; F890-I904 HydrophobicContact CG-CD1 3.95Å; F890-I904 HydrophobicContact CG-CG1 4.01Å; F890-I904 HydrophobicContact CG-CG2 3.84Å; F890-I904 HydrophobicContact CZ-CG1 4.48Å; G898-I904 WeakPolarHBondContact O-CD1 3.43Å; M901-I904 HydrophobicContact CB-CD1 4.25Å; M901-I904 HydrophobicContact CB-CG1 4.35Å; M901-I904 HydrophobicContact CE-CD1 4.07Å; M901-I904 HydrophobicContact CE-CG1 4.4Å; M901-I904 WeakPolarHBondContact O-CB 3.41Å; M901-I904 PolarHBondContact O-N 2.9Å; M901-I904 VanDerWaalsContact O-N 3.15Å; R902-I904 PolarHBondContact O-N 3.46Å; R902-I904 VanDerWaalsContact O-N 3.16Å; I904-T907 WeakPolarHBondContact O-CB 3.5Å; I904-T907 PolarHBondContact O-N 3.45Å; I904-Y908 HydrophobicContact CG2-CD2 4.4Å; I904-Y908 HydrophobicContact CG2-CE1 4.04Å; I904-Y908 HydrophobicContact CG2-CE2 3.71Å; I904-Y908 PolarHBondContact O-N 3.09Å
905	Q	95	Very high	94.4	Very high	86 Å²	86	39.5 Å²	39.5	40%	0.402	19%	0.189	S	C	.	.	H	α-helix	trans	-66.4	-42.2	177	-176.7	63.3	23.9	0	0	111.1	R902 T907 Y908 E909	R902-Q905 PolarHBondContact O-N 3.17Å; Q905-T907 PolarHBondContact O-N 2.83Å; Q905-Y908 PolarHBondContact O-N 3.19Å; Q905-Y908 VanDerWaalsContact O-N 3.13Å; Q905-E909 PolarHBondContact NE2-OE1 3.5Å; Q905-E909 WeakPolarHBondContact O-CG 3.22Å; Q905-E909 PolarHBondContact O-N 3.03Å
906	Q	95.3	Very high	94.6	Very high	13 Å²	13	36.1 Å²	36.1	6%	0.061	17%	0.17	C	C	.	.	H	α-helix	trans	-57.1	-39.6	173	-70.5	170.3	-16.7	0	0	111.8	V400 L403 S405 L871 R902 T910	V400-Q906 VanDerWaalsContact CG1-NE2 3.35Å; L403-Q906 HydrophobicContact CD1-CB 4.13Å; L403-Q906 HydrophobicContact CD1-CG 4.17Å; S405-Q906 WeakPolarHBondContact OG-CA 3.46Å; S405-Q906 VanDerWaalsContact OG-CG 3.24Å; S405-Q906 WeakPolarHBondContact OG-CG 3.3Å; L871-Q906 HydrophobicContact CD2-CB 3.9Å; R902-Q906 HydrophobicContact CG-CG 4.42Å; R902-Q906 PolarHBondContact O-N 3.21Å; Q906-T910 VanDerWaalsContact O-CB 3.27Å; Q906-T910 WeakPolarHBondContact O-CB 3.48Å; Q906-T910 PolarHBondContact O-N 2.99Å; Q906-T910 PolarHBondContact O-OG1 2.91Å
907	T	95.9	Very high	94.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61.5	-46.5	174.9	-69.2	0	0	0	0	111.8	V870 T874 I886 C903 I904 Q905 T910 I911	V870-T907 WeakPolarHBondContact CG1-OG1 3.36Å; T874-T907 HydrophobicContact CG2-CG2 4.29Å; T874-T907 WeakPolarHBondContact OG1-CG2 3.12Å; T874-T907 PolarHBondContact OG1-OG1 3.46Å; I886-T907 HydrophobicContact CG2-CG2 3.82Å; C903-T907 WeakPolarHBondContact O-CB 3.25Å; C903-T907 PolarHBondContact O-N 3.11Å; C903-T907 PolarHBondContact O-OG1 2.82Å; I904-T907 WeakPolarHBondContact O-CB 3.5Å; I904-T907 PolarHBondContact O-N 3.45Å; Q905-T907 PolarHBondContact O-N 2.83Å; T907-T910 PolarHBondContact O-N 3.17Å; T907-I911 HydrophobicContact CG2-CD1 3.79Å; T907-I911 VanDerWaalsContact O-CG1 3.32Å; T907-I911 WeakPolarHBondContact O-CG1 3.47Å; T907-I911 PolarHBondContact O-N 3.31Å
908	Y	95.8	Very high	95	Very high	9 Å²	9	27.9 Å²	27.9	4%	0.035	13%	0.13	C	C	.	.	H	α-helix	trans	-60.5	-50	178.3	-61.6	-25.1	0	0	0	111.4	L883 I886 R887 F890 D891 I904 Q905 T910 I911 E912	L883-Y908 HydrophobicContact CD1-CD1 4.28Å; I886-Y908 HydrophobicContact CG2-CD1 4.32Å; I886-Y908 HydrophobicContact CG2-CE1 3.98Å; R887-Y908 HydrophobicContact CB-CE1 4.27Å; R887-Y908 HydrophobicContact CG-CD1 3.86Å; R887-Y908 HydrophobicContact CG-CE1 3.51Å; R887-Y908 HydrophobicContact CG-CE2 4.42Å; R887-Y908 HydrophobicContact CG-CG 4.46Å; F890-Y908 VanDerWaalsContact CB-OH 3.29Å; F890-Y908 WeakPolarHBondContact CB-OH 3.45Å; F890-Y908 HydrophobicContact CD2-CE1 4.28Å; D891-Y908 PolarHBondContact OD1-OH 3.46Å; I904-Y908 HydrophobicContact CG2-CD2 4.4Å; I904-Y908 HydrophobicContact CG2-CE1 4.04Å; I904-Y908 HydrophobicContact CG2-CE2 3.71Å; I904-Y908 PolarHBondContact O-N 3.09Å; Q905-Y908 PolarHBondContact O-N 3.19Å; Q905-Y908 VanDerWaalsContact O-N 3.13Å; Y908-T910 VanDerWaalsContact C-N 3.33Å; Y908-T910 PolarHBondContact O-N 3.28Å; Y908-I911 PolarHBondContact O-N 3.31Å; Y908-E912 WeakPolarHBondContact O-CB 3.46Å; Y908-E912 VanDerWaalsContact O-CG 3.27Å; Y908-E912 WeakPolarHBondContact O-CG 3.34Å; Y908-E912 PolarHBondContact O-N 3.36Å
909	E	95.1	Very high	95.1	Very high	19 Å²	19	32.2 Å²	32.2	9%	0.089	15%	0.152	C	C	.	.	H	α-helix	trans	-62.4	-40.9	-179.5	-69.7	175.1	-170.4	0	0	111.7	L403 S404 S405 Q905 E912 D913	L403-E909 WeakPolarHBondContact CB-OE2 2.86Å; L403-E909 HydrophobicContact CD2-CB 4.3Å; S404-E909 PolarHBondContact N-OE2 3.24Å; S404-E909 PolarHBondContact OG-OE1 3.25Å; S404-E909 PolarHBondContact OG-OE2 3.22Å; S404-E909 VanDerWaalsContact OG-OE2 3.11Å; S405-E909 WeakPolarHBondContact CB-OE1 3.4Å; S405-E909 VanDerWaalsContact CB-OE2 3.28Å; S405-E909 WeakPolarHBondContact CB-OE2 3.48Å; S405-E909 PolarHBondContact N-OE1 3.37Å; S405-E909 PolarHBondContact N-OE2 3.37Å; S405-E909 VanDerWaalsContact OG-CD 3.26Å; S405-E909 PolarHBondContact OG-OE2 3.2Å; Q905-E909 PolarHBondContact NE2-OE1 3.5Å; Q905-E909 WeakPolarHBondContact O-CG 3.22Å; Q905-E909 PolarHBondContact O-N 3.03Å; E909-E912 PolarHBondContact O-N 3.41Å; E909-D913 WeakPolarHBondContact O-CB 3.31Å; E909-D913 PolarHBondContact O-N 2.87Å
910	T	95.5	Very high	95.1	Very high	21 Å²	21	34.4 Å²	34.4	13%	0.129	16%	0.164	C	C	.	.	H	α-helix	trans	-64.1	-44.3	177.8	-59.4	0	0	0	0	111.9	N875 Q906 T907 Y908 D913 N914	N875-T910 HydrophobicContact CB-CG2 3.99Å; Q906-T910 VanDerWaalsContact O-CB 3.27Å; Q906-T910 WeakPolarHBondContact O-CB 3.48Å; Q906-T910 PolarHBondContact O-N 2.99Å; Q906-T910 PolarHBondContact O-OG1 2.91Å; T907-T910 PolarHBondContact O-N 3.17Å; Y908-T910 VanDerWaalsContact C-N 3.33Å; Y908-T910 PolarHBondContact O-N 3.28Å; T910-D913 PolarHBondContact O-N 3.49Å; T910-N914 WeakPolarHBondContact O-CB 3.5Å; T910-N914 PolarHBondContact O-N 3.15Å; T910-N914 PolarHBondContact O-ND2 2.69Å
911	I	96.5	Very high	95.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-68.2	-39.1	178.5	-65.4	166.8	0	0	0	110.7	L883 I886 T907 Y908 N914 I915	L883-I911 HydrophobicContact CB-CG2 3.77Å; L883-I911 HydrophobicContact CD1-CB 4.12Å; L883-I911 HydrophobicContact CD1-CG2 4.04Å; L883-I911 HydrophobicContact CG-CG2 4.36Å; I886-I911 HydrophobicContact CB-CD1 4.47Å; I886-I911 HydrophobicContact CG1-CD1 3.91Å; T907-I911 HydrophobicContact CG2-CD1 3.79Å; T907-I911 VanDerWaalsContact O-CG1 3.32Å; T907-I911 WeakPolarHBondContact O-CG1 3.47Å; T907-I911 PolarHBondContact O-N 3.31Å; Y908-I911 PolarHBondContact O-N 3.31Å; I911-N914 PolarHBondContact O-N 2.96Å; I911-I915 HydrophobicContact CG2-CD1 3.98Å; I911-I915 HydrophobicContact CG2-CG1 4.43Å; I911-I915 WeakPolarHBondContact O-CD1 3.43Å; I911-I915 VanDerWaalsContact O-CG1 3.25Å; I911-I915 WeakPolarHBondContact O-CG1 3.33Å; I911-I915 PolarHBondContact O-N 3.49Å
912	E	95.3	Very high	95.3	Very high	64 Å²	64	27.5 Å²	27.5	30%	0.299	14%	0.135	S	C	.	.	H	α-helix	trans	-61.5	-44.1	175.2	-75.3	171.8	-177.5	0	0	111.6	L883 R887 Y908 E909 I915 R916	L883-E912 HydrophobicContact CD2-CG 3.55Å; R887-E912 IonicContact CZ-OE1 2.72Å; R887-E912 IonicContact NE-OE1 2.69Å; R887-E912 IonicContact NH2-OE1 3.74Å; R887-E912 PolarHBondContact NH2-OE1 2.91Å; Y908-E912 WeakPolarHBondContact O-CB 3.46Å; Y908-E912 VanDerWaalsContact O-CG 3.27Å; Y908-E912 WeakPolarHBondContact O-CG 3.34Å; Y908-E912 PolarHBondContact O-N 3.36Å; E909-E912 PolarHBondContact O-N 3.41Å; E912-I915 PolarHBondContact O-N 3.35Å; E912-R916 WeakPolarHBondContact O-CB 3.46Å; E912-R916 PolarHBondContact O-N 3Å
913	D	93.8	Very high	95.3	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-63.7	-43.4	174.6	-169	59	0	0	0	112	R546 E909 T910 I915 R916 W917	R546-D913 IonicContact CZ-OD2 2.77Å; R546-D913 IonicContact NE-OD2 3.58Å; R546-D913 PolarHBondContact NE-OD2 2.87Å; R546-D913 IonicContact NH2-OD2 3.6Å; R546-D913 PolarHBondContact NH2-OD2 3.15Å; E909-D913 WeakPolarHBondContact O-CB 3.31Å; E909-D913 PolarHBondContact O-N 2.87Å; T910-D913 PolarHBondContact O-N 3.49Å; D913-I915 PolarHBondContact O-N 2.83Å; D913-R916 PolarHBondContact O-N 2.94Å; D913-R916 IonicContact OD1-NE 2.65Å; D913-W917 VanDerWaalsContact O-CB 3.26Å; D913-W917 WeakPolarHBondContact O-CB 3.38Å; D913-W917 PolarHBondContact O-N 3.35Å
914	N	96	Very high	95.3	Very high	14 Å²	14	32.1 Å²	32.1	8%	0.075	17%	0.166	C	C	.	.	H	α-helix	trans	-58.5	-45.3	174.2	-72.5	-22.1	0	0	0	112	L681 N875 Y877 T910 I911 R916 W917 T918	L681-N914 HydrophobicContact CD2-CB 4.16Å; N875-N914 PolarHBondContact O-ND2 2.76Å; Y877-N914 WeakPolarHBondContact O-CB 3.49Å; Y877-N914 PolarHBondContact O-ND2 2.72Å; T910-N914 WeakPolarHBondContact O-CB 3.5Å; T910-N914 PolarHBondContact O-N 3.15Å; T910-N914 PolarHBondContact O-ND2 2.69Å; I911-N914 PolarHBondContact O-N 2.96Å; N914-R916 PolarHBondContact O-N 3.34Å; N914-W917 PolarHBondContact O-N 2.95Å; N914-T918 WeakPolarHBondContact O-CB 3.31Å; N914-T918 WeakPolarHBondContact O-CG2 3.43Å; N914-T918 PolarHBondContact O-N 3.29Å; N914-T918 PolarHBondContact O-OG1 2.92Å
915	I	96.1	Very high	95.3	Very high	16 Å²	16	31.8 Å²	31.8	8%	0.082	17%	0.165	C	C	.	.	H	α-helix	trans	-56.6	-53.2	176.9	-70.3	161.1	0	0	0	109.4	S878 R880 L883 I911 E912 D913 W917 T918 D919	S878-I915 VanDerWaalsContact C-CG1 3.45Å; S878-I915 WeakPolarHBondContact O-CG1 3.28Å; R880-I915 HydrophobicContact CG-CD1 4.26Å; R880-I915 HydrophobicContact CG-CG2 4.46Å; L883-I915 HydrophobicContact CB-CD1 4.23Å; L883-I915 HydrophobicContact CD2-CD1 4.07Å; I911-I915 HydrophobicContact CG2-CD1 3.98Å; I911-I915 HydrophobicContact CG2-CG1 4.43Å; I911-I915 WeakPolarHBondContact O-CD1 3.43Å; I911-I915 VanDerWaalsContact O-CG1 3.25Å; I911-I915 WeakPolarHBondContact O-CG1 3.33Å; I911-I915 PolarHBondContact O-N 3.49Å; E912-I915 PolarHBondContact O-N 3.35Å; D913-I915 PolarHBondContact O-N 2.83Å; I915-W917 PolarHBondContact O-N 3.47Å; I915-T918 PolarHBondContact O-N 3.33Å; I915-T918 PolarHBondContact O-OG1 3.41Å; I915-D919 WeakPolarHBondContact O-CB 3.39Å; I915-D919 PolarHBondContact O-N 3.26Å
916	R	94.2	Very high	95.3	Very high	63 Å²	63	32.1 Å²	32.1	24%	0.238	17%	0.166	C	C	.	.	H	α-helix	trans	-60.3	-44.8	-177.7	-158.8	-151.5	-41.5	-69.5	-6.6	112.5	D548 E912 D913 N914 T920	D548-R916 WeakPolarHBondContact OD1-CD 3.48Å; D548-R916 IonicContact OD1-NE 3.06Å; D548-R916 WeakPolarHBondContact OD2-CD 3.45Å; D548-R916 IonicContact OD2-CZ 3.02Å; D548-R916 IonicContact OD2-NE 3.37Å; D548-R916 IonicContact OD2-NH1 2.75Å; D548-R916 PolarHBondContact OD2-NH1 3.19Å; E912-R916 WeakPolarHBondContact O-CB 3.46Å; E912-R916 PolarHBondContact O-N 3Å; D913-R916 PolarHBondContact O-N 2.94Å; D913-R916 IonicContact OD1-NE 2.65Å; N914-R916 PolarHBondContact O-N 3.34Å; R916-T920 WeakPolarHBondContact O-CB 3.45Å; R916-T920 PolarHBondContact O-N 2.91Å; R916-T920 PolarHBondContact O-OG1 3.43Å
917	W	94.9	Very high	95.4	Very high	20 Å²	20	34.3 Å²	34.3	8%	0.076	19%	0.187	C	C	.	.	H	α-helix	trans	-62	-48.9	177.1	-168.9	103.6	0	0	0	110.4	L649 L678 L681 D913 N914 I915 T920 N921 F922	L649-W917 HydrophobicContact CD1-CZ2 4.1Å; L678-W917 HydrophobicContact CD1-CH2 4.36Å; L678-W917 HydrophobicContact CD2-CH2 3.37Å; L678-W917 HydrophobicContact CD2-CZ2 3.54Å; L678-W917 HydrophobicContact CD2-CZ3 4.13Å; L678-W917 HydrophobicContact CG-CH2 4.33Å; L681-W917 HydrophobicContact CD1-CE3 4.34Å; D913-W917 VanDerWaalsContact O-CB 3.26Å; D913-W917 WeakPolarHBondContact O-CB 3.38Å; D913-W917 PolarHBondContact O-N 3.35Å; N914-W917 PolarHBondContact O-N 2.95Å; I915-W917 PolarHBondContact O-N 3.47Å; W917-T920 PolarHBondContact O-N 3.25Å; W917-N921 HydrophobicContact CD2-CB 3.96Å; W917-N921 HydrophobicContact CE3-CB 3.94Å; W917-N921 HydrophobicContact CH2-CB 3.73Å; W917-N921 HydrophobicContact CZ2-CB 3.82Å; W917-N921 HydrophobicContact CZ3-CB 3.82Å; W917-N921 PolarHBondContact NE1-ND2 3.23Å; W917-N921 WeakPolarHBondContact O-CB 3.47Å; W917-N921 PolarHBondContact O-N 2.94Å; W917-N921 PolarHBondContact O-ND2 3.36Å; W917-F922 HydrophobicContact CE3-CD1 4.4Å; W917-F922 HydrophobicContact CE3-CE1 4.27Å; W917-F922 AromaticContact CZ3-CD1 3.69Å; W917-F922 HydrophobicContact CZ3-CD1 3.69Å; W917-F922 AromaticContact CZ3-CE1 3.63Å; W917-F922 HydrophobicContact CZ3-CE1 3.63Å
918	T	95.1	Very high	95.4	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.018	19%	0.19	C	C	.	.	H	α-helix	trans	-65.7	-42.7	-178.3	58.7	0	0	0	0	112.7	L681 N914 I915 T920 F922	L681-T918 HydrophobicContact CB-CG2 4.26Å; L681-T918 HydrophobicContact CD1-CG2 3.8Å; N914-T918 WeakPolarHBondContact O-CB 3.31Å; N914-T918 WeakPolarHBondContact O-CG2 3.43Å; N914-T918 PolarHBondContact O-N 3.29Å; N914-T918 PolarHBondContact O-OG1 2.92Å; I915-T918 PolarHBondContact O-N 3.33Å; I915-T918 PolarHBondContact O-OG1 3.41Å; T918-T920 PolarHBondContact O-N 2.86Å; T918-F922 HydrophobicContact CG2-CD1 4.3Å; T918-F922 HydrophobicContact CG2-CD2 4.11Å; T918-F922 HydrophobicContact CG2-CE1 3.71Å; T918-F922 HydrophobicContact CG2-CE2 3.48Å; T918-F922 VanDerWaalsContact CG2-CE2 3.48Å; T918-F922 HydrophobicContact CG2-CZ 3.27Å; T918-F922 VanDerWaalsContact O-CB 3.32Å; T918-F922 WeakPolarHBondContact O-CB 3.42Å; T918-F922 WeakPolarHBondContact O-CG 3.49Å; T918-F922 PolarHBondContact O-N 3.22Å; T918-F922 VanDerWaalsContact O-N 3.13Å
919	D	93.9	Very high	95.4	Very high	92 Å²	92	35.1 Å²	35.1	49%	0.492	19%	0.19	S	C	.	.	H	α-helix	trans	-59.3	-35.8	177.6	-76	-9.5	0	0	0	111.8	I915	I915-D919 WeakPolarHBondContact O-CB 3.39Å; I915-D919 PolarHBondContact O-N 3.26Å
920	T	93.9	Very high	95.3	Very high	85 Å²	85	38.1 Å²	38.1	52%	0.521	21%	0.207	S	C	.	.	H	α-helix	trans	-85.5	-44.2	-178.2	-54.2	0	0	0	0	112.7	R916 W917 T918	R916-T920 WeakPolarHBondContact O-CB 3.45Å; R916-T920 PolarHBondContact O-N 2.91Å; R916-T920 PolarHBondContact O-OG1 3.43Å; W917-T920 PolarHBondContact O-N 3.25Å; T918-T920 PolarHBondContact O-N 2.86Å
921	N	96.1	Very high	95.1	Very high	10 Å²	10	45 Å²	45	5%	0.053	24%	0.235	C	C	.	.	H	α-helix	trans	-102	-23.1	-161.7	-69.8	-54.2	0	0	0	114.3	L649 W917 L924 L925	L649-N921 HydrophobicContact CD2-CB 4.1Å; L649-N921 WeakPolarHBondContact CD2-O 3.27Å; W917-N921 HydrophobicContact CD2-CB 3.96Å; W917-N921 HydrophobicContact CE3-CB 3.94Å; W917-N921 HydrophobicContact CH2-CB 3.73Å; W917-N921 HydrophobicContact CZ2-CB 3.82Å; W917-N921 HydrophobicContact CZ3-CB 3.82Å; W917-N921 PolarHBondContact NE1-ND2 3.23Å; W917-N921 WeakPolarHBondContact O-CB 3.47Å; W917-N921 PolarHBondContact O-N 2.94Å; W917-N921 PolarHBondContact O-ND2 3.36Å; N921-L924 PolarHBondContact O-N 3.13Å; N921-L925 WeakPolarHBondContact O-CB 3.32Å; N921-L925 PolarHBondContact O-N 3.28Å
922	F	95.6	Very high	94.4	Very high	12 Å²	12	48.2 Å²	48.2	5%	0.053	25%	0.25	C	C	.	.	H	α-helix	trans	-61.2	-43.6	178.2	-77	-7.8	0	0	0	114	L681 M682 M687 W917 T918 L924 L925 E926	L681-F922 HydrophobicContact CB-CZ 4.01Å; M682-F922 HydrophobicContact CE-CD1 3.89Å; M682-F922 HydrophobicContact CE-CE1 3.56Å; M682-F922 HydrophobicContact CE-CZ 4.08Å; M682-F922 HydrophobicContact CG-CE1 4.08Å; M682-F922 HydrophobicContact CG-CE2 4.17Å; M682-F922 HydrophobicContact CG-CZ 3.62Å; M687-F922 HydrophobicContact CE-CB 4.27Å; M687-F922 HydrophobicContact CE-CD2 3.47Å; M687-F922 VanDerWaalsContact CE-CD2 3.47Å; M687-F922 HydrophobicContact CE-CE2 3.92Å; M687-F922 HydrophobicContact CE-CG 4.08Å; M687-F922 HydrophobicContact SD-CD2 3.49Å; M687-F922 WeakPolarHBondContact SD-CD2 3.45Å; M687-F922 HydrophobicContact SD-CE2 3.39Å; M687-F922 WeakPolarHBondContact SD-CE2 3.39Å; M687-F922 HydrophobicContact SD-CZ 4.42Å; W917-F922 HydrophobicContact CE3-CD1 4.4Å; W917-F922 HydrophobicContact CE3-CE1 4.27Å; W917-F922 AromaticContact CZ3-CD1 3.69Å; W917-F922 HydrophobicContact CZ3-CD1 3.69Å; W917-F922 AromaticContact CZ3-CE1 3.63Å; W917-F922 HydrophobicContact CZ3-CE1 3.63Å; T918-F922 HydrophobicContact CG2-CD1 4.3Å; T918-F922 HydrophobicContact CG2-CD2 4.11Å; T918-F922 HydrophobicContact CG2-CE1 3.71Å; T918-F922 HydrophobicContact CG2-CE2 3.48Å; T918-F922 VanDerWaalsContact CG2-CE2 3.48Å; T918-F922 HydrophobicContact CG2-CZ 3.27Å; T918-F922 VanDerWaalsContact O-CB 3.32Å; T918-F922 WeakPolarHBondContact O-CB 3.42Å; T918-F922 WeakPolarHBondContact O-CG 3.49Å; T918-F922 PolarHBondContact O-N 3.22Å; T918-F922 VanDerWaalsContact O-N 3.13Å; F922-L924 VanDerWaalsContact C-N 3.27Å; F922-L924 PolarHBondContact O-N 2.93Å; F922-L925 PolarHBondContact O-N 3.4Å; F922-E926 PolarHBondContact O-N 2.92Å
923	P	95	Very high	93.4	Very high	78 Å²	78	48.6 Å²	48.6	51%	0.506	25%	0.252	S	S	.	.	H	α-helix	trans	-62.3	-35.6	175.2	-23.6	35	0	0	0	112.8	A927	P923-A927 WeakPolarHBondContact O-CB 3.35Å; P923-A927 PolarHBondContact O-N 3.1Å; P923-A927 VanDerWaalsContact O-N 3.1Å
924	L	95.8	Very high	91.4	Very high	62 Å²	62	56.9 Å²	56.9	33%	0.325	29%	0.29	S	S	.	.	H	α-helix	trans	-69.4	-40.7	177.1	-61.1	178.5	0	0	0	111.4	L649 N921 F922 A927 W928	L649-L924 HydrophobicContact CD2-CB 4.13Å; N921-L924 PolarHBondContact O-N 3.13Å; F922-L924 VanDerWaalsContact C-N 3.27Å; F922-L924 PolarHBondContact O-N 2.93Å; L924-A927 PolarHBondContact O-N 2.96Å; L924-W928 WeakPolarHBondContact O-CB 3.34Å; L924-W928 PolarHBondContact O-N 3.37Å
925	L	96.8	Very high	88.8	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-62.4	-47.5	177	-179	57	0	0	0	111.1	L649 L653 L678 M682 M694 N921 F922 A927 W928 L929	L649-L925 HydrophobicContact CD2-CB 3.75Å; L649-L925 HydrophobicContact CD2-CD1 4.42Å; L653-L925 HydrophobicContact CD1-CD1 3.75Å; L653-L925 HydrophobicContact CD2-CD1 4.36Å; L678-L925 HydrophobicContact CB-CD2 4.46Å; L678-L925 HydrophobicContact CD1-CD2 4.39Å; M682-L925 HydrophobicContact CE-CD2 3.36Å; M694-L925 HydrophobicContact SD-CD1 3.99Å; M694-L925 HydrophobicContact SD-CD2 4.41Å; N921-L925 WeakPolarHBondContact O-CB 3.32Å; N921-L925 PolarHBondContact O-N 3.28Å; F922-L925 PolarHBondContact O-N 3.4Å; L925-A927 PolarHBondContact O-N 3Å; L925-W928 PolarHBondContact O-N 3.43Å; L925-L929 HydrophobicContact CD1-CD1 3.97Å; L925-L929 HydrophobicContact CD1-CG 4.12Å; L925-L929 HydrophobicContact CG-CD1 3.97Å; L925-L929 WeakPolarHBondContact O-CB 3.39Å; L925-L929 WeakPolarHBondContact O-CG 3.49Å; L925-L929 PolarHBondContact O-N 2.96Å
926	E	95.9	Very high	85.8	Confident	92 Å²	92	69.1 Å²	69.1	43%	0.43	35%	0.353	S	S	.	.	H	α-helix	trans	-59.3	-47.4	176.5	-178.7	174.8	-142.4	0	0	111.4	L690 F922 W928 L929 N930	L690-E926 HydrophobicContact CD1-CB 3.78Å; L690-E926 HydrophobicContact CD1-CG 4.18Å; L690-E926 HydrophobicContact CD2-CB 4.32Å; F922-E926 PolarHBondContact O-N 2.92Å; E926-W928 VanDerWaalsContact C-N 3.33Å; E926-W928 PolarHBondContact O-N 2.69Å; E926-L929 PolarHBondContact O-N 3.15Å; E926-N930 WeakPolarHBondContact O-CB 3.19Å; E926-N930 VanDerWaalsContact O-CG 3.23Å; E926-N930 PolarHBondContact O-N 3.2Å; E926-N930 PolarHBondContact O-ND2 3.35Å; E926-N930 VanDerWaalsContact O-ND2 3.15Å
927	A	95.6	Very high	83.2	Confident	60 Å²	60	70 Å²	70	50%	0.496	37%	0.367	S	S	.	.	H	α-helix	trans	-61	-41.1	176.8	0	0	0	0	0	112.4	P923 L924 L925 K931	P923-A927 WeakPolarHBondContact O-CB 3.35Å; P923-A927 PolarHBondContact O-N 3.1Å; P923-A927 VanDerWaalsContact O-N 3.1Å; L924-A927 PolarHBondContact O-N 2.96Å; L925-A927 PolarHBondContact O-N 3Å; A927-K931 PolarHBondContact O-N 2.78Å
928	W	96.7	Very high	80.4	Confident	16 Å²	16	77.1 Å²	77.1	6%	0.061	40%	0.401	C	S	.	.	H	α-helix	trans	-67.5	-45.5	178.7	-172.2	98.8	0	0	0	111.7	L653 D654 L657 Y697 L924 L925 E926 K931 H932	L653-W928 HydrophobicContact CB-CD2 3.83Å; L653-W928 VanDerWaalsContact CB-CE2 3.48Å; L653-W928 HydrophobicContact CB-CE3 4.28Å; L653-W928 HydrophobicContact CB-CG 4.32Å; L653-W928 HydrophobicContact CB-CH2 4.14Å; L653-W928 HydrophobicContact CB-CZ2 3.67Å; L653-W928 HydrophobicContact CB-CZ3 4.42Å; L653-W928 HydrophobicContact CD1-CB 3.95Å; L653-W928 HydrophobicContact CD1-CD2 3.59Å; L653-W928 HydrophobicContact CD1-CE3 3.82Å; L653-W928 HydrophobicContact CD1-CG 3.65Å; L653-W928 HydrophobicContact CG-CD2 4.33Å; D654-W928 PolarHBondContact OD1-NE1 2.96Å; L657-W928 HydrophobicContact CD1-CZ2 4.28Å; L657-W928 HydrophobicContact CD2-CH2 3.84Å; L657-W928 HydrophobicContact CD2-CZ2 4.06Å; L657-W928 HydrophobicContact CG-CH2 4.43Å; L657-W928 HydrophobicContact CG-CZ2 4.21Å; Y697-W928 HydrophobicContact CD2-CZ3 4.18Å; Y697-W928 HydrophobicContact CE1-CZ3 4.33Å; Y697-W928 AromaticContact CE2-CH2 3.68Å; Y697-W928 HydrophobicContact CE2-CH2 3.68Å; Y697-W928 AromaticContact CE2-CZ3 3.72Å; Y697-W928 HydrophobicContact CE2-CZ3 3.72Å; Y697-W928 AromaticContact CZ-CH2 3.67Å; Y697-W928 AromaticContact CZ-CZ3 3.81Å; L924-W928 WeakPolarHBondContact O-CB 3.34Å; L924-W928 PolarHBondContact O-N 3.37Å; L925-W928 PolarHBondContact O-N 3.43Å; E926-W928 VanDerWaalsContact C-N 3.33Å; E926-W928 PolarHBondContact O-N 2.69Å; W928-K931 PolarHBondContact O-N 3.18Å; W928-H932 AromaticContact CD1-CE1 3.77Å; W928-H932 AromaticContact CD1-ND1 4Å; W928-H932 AromaticContact CD2-CE1 3.91Å; W928-H932 AromaticContact CD2-ND1 3.48Å; W928-H932 AromaticContact CE2-CE1 3.41Å; W928-H932 VanDerWaalsContact CE2-CE1 3.41Å; W928-H932 AromaticContact CE2-ND1 3.39Å; W928-H932 AromaticContact CE3-ND1 3.95Å; W928-H932 AromaticContact CG-ND1 3.87Å; W928-H932 HydrophobicContact CH2-CB 4.46Å; W928-H932 AromaticContact CZ2-CE1 3.84Å; W928-H932 AromaticContact CZ2-ND1 3.79Å; W928-H932 HydrophobicContact CZ3-CB 4.36Å; W928-H932 AromaticContact NE1-CE1 3.32Å; W928-H932 PolarHBondContact NE1-CE1 3.15Å; W928-H932 VanDerWaalsContact NE1-CE1 3.32Å; W928-H932 AromaticContact NE1-ND1 3.72Å; W928-H932 PolarHBondContact O-N 3.41Å; W928-H932 PolarHBondContact O-ND1 3.22Å
929	L	95.4	Very high	77.6	Confident	9 Å²	9	85.9 Å²	85.9	5%	0.047	44%	0.442	C	S	.	.	H	α-helix	trans	-62.8	-44.2	177.9	-73.7	170.5	0	0	0	111.5	L690 Q693 M694 Y697 L925 E926 K931 H932 Q933	L690-L929 HydrophobicContact CD1-CD1 3.79Å; Q693-L929 HydrophobicContact CB-CD1 4.28Å; M694-L929 HydrophobicContact CB-CD1 4.29Å; M694-L929 HydrophobicContact SD-CD1 4.2Å; M694-L929 HydrophobicContact SD-CD2 4.4Å; Y697-L929 HydrophobicContact CD1-CD2 4.3Å; Y697-L929 HydrophobicContact CD2-CD2 4.32Å; Y697-L929 HydrophobicContact CG-CD2 3.87Å; L925-L929 HydrophobicContact CD1-CD1 3.97Å; L925-L929 HydrophobicContact CD1-CG 4.12Å; L925-L929 HydrophobicContact CG-CD1 3.97Å; L925-L929 WeakPolarHBondContact O-CB 3.39Å; L925-L929 WeakPolarHBondContact O-CG 3.49Å; L925-L929 PolarHBondContact O-N 2.96Å; E926-L929 PolarHBondContact O-N 3.15Å; L929-K931 VanDerWaalsContact C-N 3.26Å; L929-K931 PolarHBondContact O-N 2.97Å; L929-H932 CarbonylContact O-C 3.6Å; L929-H932 PolarHBondContact O-N 2.98Å; L929-H932 VanDerWaalsContact O-N 3.09Å; L929-Q933 PolarHBondContact O-N 2.97Å
930	N	92.6	Very high	74.9	Confident	82 Å²	82	89.1 Å²	89.1	44%	0.439	46%	0.459	S	S	.	.	H	α-helix	trans	-60.7	-35	177.1	-74.5	-29.3	0	0	0	112.5	E926	E926-N930 WeakPolarHBondContact O-CB 3.19Å; E926-N930 VanDerWaalsContact O-CG 3.23Å; E926-N930 PolarHBondContact O-N 3.2Å; E926-N930 PolarHBondContact O-ND2 3.35Å; E926-N930 VanDerWaalsContact O-ND2 3.15Å
931	K	91.3	Very high	72.1	Confident	165 Å²	165	91.3 Å²	91.3	72%	0.717	47%	0.467	S	S	*	.	H	α-helix	trans	-70.2	-30.6	176	-175.2	-176.8	174.1	-166.7	0	112.9	A927 W928 L929	A927-K931 PolarHBondContact O-N 2.78Å; W928-K931 PolarHBondContact O-N 3.18Å; L929-K931 VanDerWaalsContact C-N 3.26Å; L929-K931 PolarHBondContact O-N 2.97Å
932	H	83.4	Confident	70.9	Confident	68 Å²	68	95.4 Å²	95.4	32%	0.315	49%	0.487	S	S	.	.	H	α-helix	trans	-102.2	1.8	-173.6	-65.9	92.8	0	0	0	114.2	W928 L929 H934	W928-H932 AromaticContact CD1-CE1 3.77Å; W928-H932 AromaticContact CD1-ND1 4Å; W928-H932 AromaticContact CD2-CE1 3.91Å; W928-H932 AromaticContact CD2-ND1 3.48Å; W928-H932 AromaticContact CE2-CE1 3.41Å; W928-H932 VanDerWaalsContact CE2-CE1 3.41Å; W928-H932 AromaticContact CE2-ND1 3.39Å; W928-H932 AromaticContact CE3-ND1 3.95Å; W928-H932 AromaticContact CG-ND1 3.87Å; W928-H932 HydrophobicContact CH2-CB 4.46Å; W928-H932 AromaticContact CZ2-CE1 3.84Å; W928-H932 AromaticContact CZ2-ND1 3.79Å; W928-H932 HydrophobicContact CZ3-CB 4.36Å; W928-H932 AromaticContact NE1-CE1 3.32Å; W928-H932 PolarHBondContact NE1-CE1 3.15Å; W928-H932 VanDerWaalsContact NE1-CE1 3.32Å; W928-H932 AromaticContact NE1-ND1 3.72Å; W928-H932 PolarHBondContact O-N 3.41Å; W928-H932 PolarHBondContact O-ND1 3.22Å; L929-H932 CarbonylContact O-C 3.6Å; L929-H932 PolarHBondContact O-N 2.98Å; L929-H932 VanDerWaalsContact O-N 3.09Å; H932-H934 PolarHBondContact O-N 3.1Å; H932-H934 VanDerWaalsContact O-N 3.15Å
933	Q	73.2	Confident	69.6	Low	72 Å²	72	99.8 Å²	99.8	34%	0.336	51%	0.51	S	S	.	.			trans	-65.7	112.3	170.2	-83.9	-179.2	11.9	0	0	111.5	Q693 L929	Q693-Q933 VanDerWaalsContact CD-NE2 3.33Å; Q693-Q933 VanDerWaalsContact NE2-NE2 3.14Å; L929-Q933 PolarHBondContact O-N 2.97Å
934	H	52.1	Low	68.2	Low	176 Å²	176	101 Å²	101	82%	0.815	51%	0.511	S	S	*	.	S	Bend	trans	-103.3	50.6	165.1	-84.4	42.5	0	0	0	110.9	H932	H932-H934 PolarHBondContact O-N 3.1Å; H932-H934 VanDerWaalsContact O-N 3.15Å
935	K	41.5	Very low	66.6	Low	178 Å²	178	103.3 Å²	103.3	77%	0.774	52%	0.522	S	S	*	.	S	Bend	trans	161.8	152.1	158.6	-94.5	161.1	-175.1	-179.4	0	110.1
936	P	33.9	Very low	64.7	Low	108 Å²	108	109.8 Å²	109.8	70%	0.701	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-65.6	152.6	-177.2	27.7	-33.2	0	0	0	111.9	H938	P936-H938 PolarHBondContact O-N 3.34Å
937	P	38.3	Very low	62.6	Low	82 Å²	82	110.9 Å²	110.9	53%	0.532	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-62.4	134.3	-179.7	24.6	-31.6	0	0	0	110.8	E939	P937-E939 PolarHBondContact O-N 3.33Å
938	H	37.1	Very low	60.2	Low	169 Å²	169	114.6 Å²	114.6	78%	0.782	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-68	118.4	165.7	-79.2	-74.7	0	0	0	108.1	P936 D940	P936-H938 PolarHBondContact O-N 3.34Å; H938-D940 PolarHBondContact O-N 3.32Å
939	E	35.6	Very low	57.4	Low	188 Å²	188	122.2 Å²	122.2	88%	0.879	61%	0.606	S	S	*	*	S	Bend	trans	-74.7	7.3	-173.2	-88	-176	159.5	0	0	115.6	P937	P937-E939 PolarHBondContact O-N 3.33Å
940	D	37.9	Very low	54.3	Low	160 Å²	160	131.6 Å²	131.6	86%	0.856	65%	0.653	S	S	*	*			trans	-137.3	95.2	173.7	-77.3	-45.1	0	0	0	110	H938	H938-D940 PolarHBondContact O-N 3.32Å
941	L	34.3	Very low	50.8	Low	131 Å²	131	136.1 Å²	136.1	69%	0.686	67%	0.672	S	S	*	*			trans	-142	0	171.8	-99.7	171.4	0	0	0	112.3	N692 N734	N692-L941 PolarHBondContact ND2-O 3.31Å; N734-L941 HydrophobicContact CB-CD2 3.74Å

Retrieved 941 of 941 residues in 2191.9 ms (Link to these results)

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