A0A061ACH3_CAEEL Loading...

Ligand-gated ion channel 50

AlphaFold DB , UniProt , Accession A0A061ACH3, Species CAEEL (Caenorhabditis elegans), Gene acc-1, Length 470 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.8	Very low	40.5	Very low	241 Å²	241	165.8 Å²	165.8	100%	1.187	82%	0.822	S	S	*	*				0	113.2	0	-93.7	166	162.9	0	0	105.4
2	T	35.6	Very low	41	Very low	146 Å²	146	164 Å²	164	90%	0.896	81%	0.812	S	S	*	*			cis	-153.8	162.2	39.9	27.9	0	0	0	0	110.6
3	R	34.6	Very low	41.7	Very low	229 Å²	229	159.2 Å²	159.2	86%	0.864	80%	0.797	S	S	*	*			trans	-94.2	137.4	-165.6	-152.1	176.4	-169.5	-176.3	2.7	109.6
4	W	36.1	Very low	42.4	Very low	219 Å²	219	152 Å²	152	83%	0.83	77%	0.769	S	S	*	*			trans	28.3	127.5	143.6	-66	78.8	0	0	0	121.1
5	M	33.2	Very low	42.8	Very low	183 Å²	183	150.2 Å²	150.2	90%	0.901	76%	0.755	S	S	*	*			trans	-137.1	128.5	133.8	-74.8	-173	74.6	0	0	110.1
6	S	40.8	Very low	43.4	Very low	92 Å²	92	147.4 Å²	147.4	64%	0.643	74%	0.742	S	S	*	*			trans	-90.1	141.3	-179.1	40	0	0	0	0	111.3
7	H	39.3	Very low	44	Very low	177 Å²	177	144 Å²	144	82%	0.819	73%	0.731	S	S	*	*			trans	-133.4	123.1	160.7	-90.7	-55.5	0	0	0	110.9	G9	H7-G9 PolarHBondContact O-N 3.37Å
8	P	49.6	Very low	44.3	Very low	125 Å²	125	142.8 Å²	142.8	81%	0.812	72%	0.722	S	S	*	*			trans	-91.1	93.3	-178.6	34.8	-27.7	0	0	0	109.2
9	G	46.2	Very low	44.6	Very low	54 Å²	54	141 Å²	141	56%	0.557	71%	0.714	S	S	*	*			trans	-141.1	-8.7	177.3	0	0	0	0	0	115	H7	H7-G9 PolarHBondContact O-N 3.37Å
10	W	45.2	Very low	44.9	Very low	230 Å²	230	140.3 Å²	140.3	87%	0.871	71%	0.711	S	S	*	*	S	Bend	trans	-111.5	1.1	-168.9	-80.5	73.2	0	0	0	114.9
11	I	47	Very low	44.9	Very low	128 Å²	128	136.4 Å²	136.4	66%	0.656	70%	0.697	S	S	*	*	H	α-helix	trans	-89.1	-20.5	-178.1	-58.8	175.3	0	0	0	112.1	S14	I11-S14 PolarHBondContact O-OG 2.77Å
12	M	46.2	Very low	45.3	Very low	144 Å²	144	132.1 Å²	132.1	71%	0.709	67%	0.674	S	S	*	*	H	α-helix	trans	-87.5	-14.7	-177.1	-74.8	-68.2	-76.7	0	0	114.6
13	V	51.2	Low	45.6	Very low	102 Å²	102	129.1 Å²	129.1	62%	0.618	66%	0.659	S	S	*	*	H	α-helix	trans	-91.7	-27.9	179.3	-177.3	0	0	0	0	111.8	T17	V13-T17 PolarHBondContact O-OG1 3.42Å; V13-T17 VanDerWaalsContact O-OG1 3.11Å
14	S	51.3	Low	46	Very low	58 Å²	58	122.4 Å²	122.4	41%	0.406	65%	0.647	S	S	.	*	H	α-helix	trans	-74.5	-33.4	176.2	59.7	0	0	0	0	113	I11 T17 E18	I11-S14 PolarHBondContact O-OG 2.77Å; S14-T17 PolarHBondContact O-OG1 3.1Å; S14-E18 PolarHBondContact O-N 3.14Å
15	F	48.2	Very low	46.3	Very low	125 Å²	125	119.9 Å²	119.9	55%	0.548	64%	0.642	S	S	.	*	H	α-helix	trans	-75.4	-30	-179.8	-113.8	-90.2	0	0	0	113.5	L19	F15-L19 HydrophobicContact CD1-CD1 4.36Å; F15-L19 PolarHBondContact O-N 3.26Å; F15-L19 VanDerWaalsContact O-N 3.13Å
16	L	52.1	Low	46.8	Very low	105 Å²	105	114.1 Å²	114.1	55%	0.55	63%	0.63	S	S	.	*	H	α-helix	trans	-76.8	-29.1	177.2	-101.6	147.5	0	0	0	112.7	L20	L16-L20 PolarHBondContact O-N 2.92Å
17	T	54	Low	47	Very low	90 Å²	90	117.3 Å²	117.3	55%	0.552	64%	0.638	S	S	*	*	H	α-helix	trans	-75.6	-29.5	171.2	44.1	0	0	0	0	113.2	V13 S14 S21	V13-T17 PolarHBondContact O-OG1 3.42Å; V13-T17 VanDerWaalsContact O-OG1 3.11Å; S14-T17 PolarHBondContact O-OG1 3.1Å; T17-S21 WeakPolarHBondContact O-CB 3.47Å; T17-S21 PolarHBondContact O-N 2.91Å; T17-S21 VanDerWaalsContact O-N 3.12Å
18	E	49.4	Very low	47.4	Very low	123 Å²	123	112.7 Å²	112.7	58%	0.575	63%	0.63	S	S	*	*	H	α-helix	trans	-75.6	-35.8	174.1	-80	-176.1	151	0	0	112.7	S14 S21 Q22	S14-E18 PolarHBondContact O-N 3.14Å; E18-S21 PolarHBondContact O-N 2.91Å; E18-Q22 PolarHBondContact O-N 3.11Å
19	L	50.3	Low	47.3	Very low	108 Å²	108	115.3 Å²	115.3	57%	0.565	63%	0.632	S	S	*	*	H	α-helix	trans	-71.9	-33.1	175.8	-97.2	145.5	0	0	0	113.7	F15 S23	F15-L19 HydrophobicContact CD1-CD1 4.36Å; F15-L19 PolarHBondContact O-N 3.26Å; F15-L19 VanDerWaalsContact O-N 3.13Å; L19-S23 PolarHBondContact O-N 2.99Å
20	L	50	Low	47.4	Very low	126 Å²	126	118.3 Å²	118.3	66%	0.66	64%	0.644	S	S	*	*	H	α-helix	trans	-80.6	-21.4	173.2	-71.1	170.4	0	0	0	113.2	L16	L16-L20 PolarHBondContact O-N 2.92Å
21	S	45.1	Very low	47.8	Very low	60 Å²	60	114.8 Å²	114.8	42%	0.42	64%	0.642	S	S	.	*	H	α-helix	trans	-75.7	-32.9	169.6	174.4	0	0	0	0	112.5	T17 E18	T17-S21 WeakPolarHBondContact O-CB 3.47Å; T17-S21 PolarHBondContact O-N 2.91Å; T17-S21 VanDerWaalsContact O-N 3.12Å; E18-S21 PolarHBondContact O-N 2.91Å
22	Q	45.2	Very low	48.4	Very low	150 Å²	150	115.1 Å²	115.1	70%	0.701	65%	0.645	S	S	*	*	H	α-helix	trans	-77.9	-25.5	174.5	-97.3	174.7	-6.7	0	0	113.9	E18	E18-Q22 PolarHBondContact O-N 3.11Å
23	S	42.8	Very low	49.9	Very low	83 Å²	83	115.9 Å²	115.9	58%	0.58	65%	0.652	S	S	*	*	S	Bend	trans	-81.6	-12.6	177.9	-167.5	0	0	0	0	114.7	L19	L19-S23 PolarHBondContact O-N 2.99Å
24	S	42.6	Very low	51.6	Low	89 Å²	89	113.7 Å²	113.7	62%	0.622	64%	0.64	S	S	*	*	S	Bend	trans	-95.3	-8.4	173.5	72.8	0	0	0	0	114	G26	S24-G26 VanDerWaalsContact C-N 3.3Å
25	K	41.8	Very low	53.4	Low	165 Å²	165	111.5 Å²	111.5	72%	0.717	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	2.8	172.5	-73.9	-176.2	177	179.1	0	113.9
26	G	43.5	Very low	55.4	Low	62 Å²	62	110.6 Å²	110.6	64%	0.639	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.3	0.6	-176.7	0	0	0	0	0	116.3	S24	S24-G26 VanDerWaalsContact C-N 3.3Å
27	I	46.3	Very low	57.2	Low	159 Å²	159	107.8 Å²	107.8	82%	0.815	61%	0.612	S	S	*	*	S	Bend	trans	-135.9	33.6	-176.2	-43.4	179.4	0	0	0	111.7
28	A	47.2	Very low	58.9	Low	80 Å²	80	108 Å²	108	66%	0.661	61%	0.614	S	S	*	*	S	Bend	trans	-139.4	29	170.7	0	0	0	0	0	113
29	Q	46.8	Very low	60.8	Low	181 Å²	181	108.1 Å²	108.1	85%	0.846	61%	0.614	S	S	*	*			trans	-134.7	63.6	169.6	-78.3	-174.8	-21.8	0	0	110.1
30	S	50	Low	62.7	Low	117 Å²	117	103 Å²	103	82%	0.818	59%	0.587	S	S	*	*			trans	-116.9	56.6	143.2	73	0	0	0	0	107.3
31	L	53.2	Low	64.6	Low	155 Å²	155	99.2 Å²	99.2	81%	0.812	57%	0.567	S	S	*	*			trans	-81.1	121.3	164.6	-129.1	84.6	0	0	0	105.6	N33	L31-N33 PolarHBondContact O-N 3.47Å
32	D	58.5	Low	66.7	Low	135 Å²	135	101.4 Å²	101.4	72%	0.722	57%	0.574	S	S	*	*			trans	-39.6	122	-179.4	-61.5	-54.6	0	0	0	112.4	C34	D32-C34 PolarHBondContact O-N 3.28Å
33	N	79.1	Confident	68.6	Low	161 Å²	161	96.3 Å²	96.3	86%	0.861	56%	0.558	S	S	*	*			trans	-64.4	100.4	167.4	-87.2	-14.1	0	0	0	107.4	L31	L31-N33 PolarHBondContact O-N 3.47Å
34	C	87	Confident	70.7	Confident	55 Å²	55	93 Å²	93	37%	0.372	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-89.7	150.5	175.5	61.8	0	0	0	0	110.8	D32 N101 C103	D32-C34 PolarHBondContact O-N 3.28Å; C34-N101 CarbonylContact C-O 3.58Å; C34-N101 VanDerWaalsContact CA-O 3.27Å; C34-N101 WeakPolarHBondContact CA-O 3.49Å; C34-N101 WeakPolarHBondContact CB-O 3.24Å; C34-C103 HydrophobicContact CB-CB 3.88Å; C34-C103 WeakPolarHBondContact CB-SG 3.4Å; C34-C103 PolarHBondContact O-SG 3.24Å; C34-C103 VanDerWaalsContact O-SG 3.4Å; C34-C103 VanDerWaalsContact SG-CA 3.51Å; C34-C103 WeakPolarHBondContact SG-CB 3.33Å; C34-C103 CovalentContact SG-SG 2.03Å; C34-C103 PolarHBondContact SG-SG 3.2Å
35	A	87.8	Confident	72.5	Confident	12 Å²	12	90.9 Å²	90.9	10%	0.099	52%	0.515	C	S	.	.	B	Isolated β-bridge	trans	-73.1	138	-179.4	0	0	0	0	0	112.1	I40 M100 N101 C103	A35-I40 HydrophobicContact CB-CD1 4.14Å; A35-I40 HydrophobicContact CB-CG1 4.06Å; A35-M100 HydrophobicContact CB-CB 4.29Å; A35-M100 WeakPolarHBondContact CB-O 3.41Å; A35-N101 PolarHBondContact N-O 3.46Å; A35-C103 PolarHBondContact O-N 3.07Å; A35-C103 PolarHBondContact O-SG 3.3Å
36	N	90.9	Very high	74.3	Confident	107 Å²	107	89.9 Å²	89.9	57%	0.572	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-75.8	147.8	178.3	-74.6	-37.9	0	0	0	111.6	T38 E39 I40	N36-T38 PolarHBondContact O-N 2.84Å; N36-T38 VanDerWaalsContact O-N 3.14Å; N36-E39 WeakPolarHBondContact O-CB 3.42Å; N36-E39 PolarHBondContact O-N 3.06Å; N36-I40 PolarHBondContact O-N 3.42Å
37	D	89.6	Confident	75.5	Confident	45 Å²	45	95.2 Å²	95.2	24%	0.241	52%	0.524	C	S	.	.	H	α-helix	trans	-52.2	-41.2	179.6	-60.2	-5	0	0	0	112	E39 I40 I41 K104	D37-E39 VanDerWaalsContact C-N 3.35Å; D37-E39 PolarHBondContact O-N 2.85Å; D37-I40 PolarHBondContact O-N 3.23Å; D37-I41 WeakPolarHBondContact O-CB 3.18Å; D37-I41 WeakPolarHBondContact O-CD1 3.38Å; D37-I41 WeakPolarHBondContact O-CG1 3.4Å; D37-I41 PolarHBondContact O-N 2.98Å; D37-K104 IonicContact OD2-NZ 3.16Å; D37-K104 PolarHBondContact OD2-NZ 2.84Å
38	T	89.8	Confident	77	Confident	96 Å²	96	92.4 Å²	92.4	59%	0.589	52%	0.519	S	S	*	.	H	α-helix	trans	-64.3	-36.6	178.7	-50.4	0	0	0	0	113.3	N36 N42	N36-T38 PolarHBondContact O-N 2.84Å; N36-T38 VanDerWaalsContact O-N 3.14Å; T38-N42 WeakPolarHBondContact O-CB 3.4Å; T38-N42 PolarHBondContact O-N 3.16Å; T38-N42 PolarHBondContact O-ND2 3.19Å
39	E	89.6	Confident	79	Confident	125 Å²	125	90.5 Å²	90.5	58%	0.584	50%	0.495	S	S	*	.	H	α-helix	trans	-68.9	-43.9	179.7	-167.2	171.2	-163.6	0	0	110.4	N36 D37 N42 A43	N36-E39 WeakPolarHBondContact O-CB 3.42Å; N36-E39 PolarHBondContact O-N 3.06Å; D37-E39 VanDerWaalsContact C-N 3.35Å; D37-E39 PolarHBondContact O-N 2.85Å; E39-N42 PolarHBondContact O-N 3.37Å; E39-A43 WeakPolarHBondContact O-CB 3.48Å; E39-A43 PolarHBondContact O-N 3.37Å
40	I	90.6	Very high	81.1	Confident	0 Å²	0	85.2 Å²	85.2	0%	0	47%	0.472	C	S	.	.	H	α-helix	trans	-62.4	-50	175	-62.7	161	0	0	0	110.6	A35 N36 D37 N42 A43 L44 Y97 M100 P102 I107	A35-I40 HydrophobicContact CB-CD1 4.14Å; A35-I40 HydrophobicContact CB-CG1 4.06Å; N36-I40 PolarHBondContact O-N 3.42Å; D37-I40 PolarHBondContact O-N 3.23Å; I40-N42 VanDerWaalsContact C-N 3.32Å; I40-N42 PolarHBondContact O-N 2.91Å; I40-A43 WeakPolarHBondContact O-CB 3.22Å; I40-A43 PolarHBondContact O-N 3.43Å; I40-A43 VanDerWaalsContact O-N 3.1Å; I40-L44 HydrophobicContact CG2-CD1 3.66Å; I40-L44 HydrophobicContact CG2-CG 4.11Å; I40-L44 WeakPolarHBondContact O-CB 3.34Å; I40-L44 VanDerWaalsContact O-CG 3.28Å; I40-L44 WeakPolarHBondContact O-CG 3.3Å; I40-L44 PolarHBondContact O-N 3.37Å; I40-Y97 HydrophobicContact CD1-CD2 4.08Å; I40-Y97 HydrophobicContact CD1-CE2 4.29Å; I40-Y97 HydrophobicContact CG1-CD2 4.38Å; I40-Y97 HydrophobicContact CG2-CD1 4.05Å; I40-Y97 HydrophobicContact CG2-CD2 3.58Å; I40-Y97 HydrophobicContact CG2-CE2 4.1Å; I40-Y97 HydrophobicContact CG2-CG 3.55Å; I40-M100 HydrophobicContact CG1-SD 4.42Å; I40-P102 HydrophobicContact CD1-CB 3.47Å; I40-P102 VanDerWaalsContact CD1-CB 3.47Å; I40-I107 HydrophobicContact CB-CD1 4.16Å; I40-I107 HydrophobicContact CD1-CD1 4.35Å; I40-I107 HydrophobicContact CG2-CD1 3.7Å
41	I	89.4	Confident	83	Confident	46 Å²	46	84 Å²	84	24%	0.236	45%	0.452	C	S	.	.	H	α-helix	trans	-60.2	-42.4	-178.5	-67.7	167.4	0	0	0	111.3	D37 A43 L44 L45 I107 F109	D37-I41 WeakPolarHBondContact O-CB 3.18Å; D37-I41 WeakPolarHBondContact O-CD1 3.38Å; D37-I41 WeakPolarHBondContact O-CG1 3.4Å; D37-I41 PolarHBondContact O-N 2.98Å; I41-A43 VanDerWaalsContact C-N 3.31Å; I41-A43 PolarHBondContact O-N 3.01Å; I41-L44 PolarHBondContact O-N 3.35Å; I41-L45 HydrophobicContact CG2-CD1 3.73Å; I41-L45 HydrophobicContact CG2-CG 4.34Å; I41-L45 WeakPolarHBondContact O-CB 3.47Å; I41-L45 WeakPolarHBondContact O-CG 3.1Å; I41-L45 PolarHBondContact O-N 3.45Å; I41-I107 HydrophobicContact CD1-CG2 4.06Å; I41-I107 HydrophobicContact CG1-CD1 4.43Å; I41-I107 HydrophobicContact CG1-CG2 4.26Å; I41-F109 HydrophobicContact CB-CE1 4.49Å; I41-F109 HydrophobicContact CD1-CE1 3.85Å; I41-F109 HydrophobicContact CD1-CZ 4.35Å; I41-F109 HydrophobicContact CG1-CE1 3.67Å; I41-F109 HydrophobicContact CG1-CZ 3.82Å; I41-F109 HydrophobicContact CG2-CE1 4.07Å
42	N	88.5	Confident	84.7	Confident	107 Å²	107	83.5 Å²	83.5	57%	0.572	45%	0.445	S	S	*	.	H	α-helix	trans	-67.9	-32.2	177.8	-73.4	-22.8	0	0	0	112.5	T38 E39 I40 K46	T38-N42 WeakPolarHBondContact O-CB 3.4Å; T38-N42 PolarHBondContact O-N 3.16Å; T38-N42 PolarHBondContact O-ND2 3.19Å; E39-N42 PolarHBondContact O-N 3.37Å; I40-N42 VanDerWaalsContact C-N 3.32Å; I40-N42 PolarHBondContact O-N 2.91Å; N42-K46 PolarHBondContact O-N 2.85Å
43	A	86.4	Confident	86.3	Confident	43 Å²	43	85.1 Å²	85.1	36%	0.355	44%	0.443	S	S	.	.	H	α-helix	trans	-71.2	-43.4	174.6	0	0	0	0	0	111.7	E39 I40 I41 M100	E39-A43 WeakPolarHBondContact O-CB 3.48Å; E39-A43 PolarHBondContact O-N 3.37Å; I40-A43 WeakPolarHBondContact O-CB 3.22Å; I40-A43 PolarHBondContact O-N 3.43Å; I40-A43 VanDerWaalsContact O-N 3.1Å; I41-A43 VanDerWaalsContact C-N 3.31Å; I41-A43 PolarHBondContact O-N 3.01Å; A43-M100 HydrophobicContact CB-CE 3.7Å; A43-M100 HydrophobicContact CB-SD 4.04Å
44	L	85.3	Confident	86.9	Confident	13 Å²	13	78.6 Å²	78.6	7%	0.068	41%	0.408	C	S	.	.	H	α-helix	trans	-68.4	-43.4	179.7	-69.2	176.5	0	0	0	112.9	I40 I41 K46 L95 Y97	I40-L44 HydrophobicContact CG2-CD1 3.66Å; I40-L44 HydrophobicContact CG2-CG 4.11Å; I40-L44 WeakPolarHBondContact O-CB 3.34Å; I40-L44 VanDerWaalsContact O-CG 3.28Å; I40-L44 WeakPolarHBondContact O-CG 3.3Å; I40-L44 PolarHBondContact O-N 3.37Å; I41-L44 PolarHBondContact O-N 3.35Å; L44-K46 VanDerWaalsContact C-N 3.33Å; L44-K46 PolarHBondContact O-N 3.2Å; L44-L95 HydrophobicContact CB-CD2 4.41Å; L44-L95 HydrophobicContact CD2-CB 4.42Å; L44-L95 HydrophobicContact CD2-CD2 4.24Å; L44-L95 WeakPolarHBondContact CD2-O 3.4Å; L44-Y97 HydrophobicContact CD1-CD1 3.77Å; L44-Y97 HydrophobicContact CD1-CE1 4.26Å; L44-Y97 HydrophobicContact CD1-CG 4.39Å; L44-Y97 HydrophobicContact CD2-CD1 4.31Å
45	L	81.9	Confident	87.2	Confident	45 Å²	45	77.4 Å²	77.4	24%	0.236	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	20.7	-175.4	-59.1	179.9	0	0	0	113.6	I41 V113 L117	I41-L45 HydrophobicContact CG2-CD1 3.73Å; I41-L45 HydrophobicContact CG2-CG 4.34Å; I41-L45 WeakPolarHBondContact O-CB 3.47Å; I41-L45 WeakPolarHBondContact O-CG 3.1Å; I41-L45 PolarHBondContact O-N 3.45Å; L45-V113 HydrophobicContact CD1-CG1 3.84Å; L45-V113 HydrophobicContact CD1-CG2 4.24Å; L45-V113 HydrophobicContact CD2-CG1 3.93Å; L45-L117 HydrophobicContact CD2-CD2 4.06Å
46	K	79.3	Confident	87.4	Confident	143 Å²	143	79.3 Å²	79.3	62%	0.622	41%	0.412	S	S	*	.	S	Bend	trans	-67	159.5	174.6	-162	172.6	-178.2	-179.8	0	110.3	N42 L44 S48 Y49	N42-K46 PolarHBondContact O-N 2.85Å; L44-K46 VanDerWaalsContact C-N 3.33Å; L44-K46 PolarHBondContact O-N 3.2Å; K46-S48 PolarHBondContact O-N 3.17Å; K46-Y49 PolarHBondContact O-N 3.22Å; K46-Y49 VanDerWaalsContact O-N 3.11Å
47	D	67.9	Low	87.4	Confident	174 Å²	174	80.9 Å²	80.9	93%	0.93	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-1.9	179.3	-64.1	-34.6	0	0	0	115.3
48	S	78.9	Confident	87.5	Confident	100 Å²	100	80.7 Å²	80.7	70%	0.699	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-25.2	174.3	48.5	0	0	0	0	114.1	K46 N50	K46-S48 PolarHBondContact O-N 3.17Å; S48-N50 PolarHBondContact O-N 2.95Å
49	Y	89.1	Confident	87.8	Confident	41 Å²	41	76.2 Å²	76.2	16%	0.161	39%	0.389	C	S	.	.			trans	-78.1	119.6	-179.9	-174.2	-88.8	0	0	0	110.6	K46 K51 D92 A94 L95 L117 W118	K46-Y49 PolarHBondContact O-N 3.22Å; K46-Y49 VanDerWaalsContact O-N 3.11Å; Y49-K51 HydrophobicContact CE1-CB 4.12Å; Y49-D92 VanDerWaalsContact CE2-OD2 3.24Å; Y49-D92 WeakPolarHBondContact CE2-OD2 3.2Å; Y49-D92 PolarHBondContact OH-OD2 2.64Å; Y49-A94 HydrophobicContact CD2-CB 3.98Å; Y49-A94 HydrophobicContact CE2-CB 3.99Å; Y49-L95 HydrophobicContact CD2-CD2 3.88Å; Y49-L95 HydrophobicContact CD2-CG 4.33Å; Y49-L95 HydrophobicContact CE2-CD1 4.18Å; Y49-L95 HydrophobicContact CE2-CD2 3.87Å; Y49-L95 HydrophobicContact CE2-CG 3.86Å; Y49-L117 HydrophobicContact CD1-CD2 4.25Å; Y49-L117 HydrophobicContact CE1-CB 4.47Å; Y49-L117 HydrophobicContact CE1-CD2 3.9Å; Y49-W118 WeakPolarHBondContact OH-CB 3.44Å; Y49-W118 PolarHBondContact OH-N 3.35Å; Y49-W118 VanDerWaalsContact OH-N 3.08Å
50	N	89.4	Confident	88.2	Confident	69 Å²	69	75.3 Å²	75.3	37%	0.369	39%	0.385	S	S	.	.			trans	-110.2	105	177.6	-177.8	-2.5	0	0	0	110.9	S48 H52 Y53	S48-N50 PolarHBondContact O-N 2.95Å; N50-H52 PolarHBondContact O-N 2.85Å; N50-H52 WeakPolarHBondContact OD1-CB 3.32Å; N50-H52 PolarHBondContact OD1-CD2 2.76Å; N50-H52 PolarHBondContact OD1-N 3.01Å; N50-Y53 HydrophobicContact CB-CD2 3.81Å; N50-Y53 HydrophobicContact CB-CE2 4.29Å; N50-Y53 VanDerWaalsContact ND2-CD2 3.3Å; N50-Y53 WeakPolarHBondContact ND2-CD2 2.94Å; N50-Y53 WeakPolarHBondContact ND2-CE2 3.37Å; N50-Y53 PolarHBondContact O-N 3.14Å; N50-Y53 VanDerWaalsContact O-N 3.17Å
51	K	90.4	Very high	88.5	Confident	92 Å²	92	75.3 Å²	75.3	40%	0.4	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-10.5	179	73	176.5	-173.1	174.1	0	116	Y49 Q115 R116 W118	Y49-K51 HydrophobicContact CE1-CB 4.12Å; K51-Q115 PolarHBondContact NZ-O 3.38Å; K51-R116 WeakPolarHBondContact CB-O 2.9Å; K51-W118 VanDerWaalsContact O-CD1 3.25Å
52	H	90	Very high	88.9	Confident	144 Å²	144	77.4 Å²	77.4	67%	0.667	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-14.5	179.6	-63	-70.7	0	0	0	112.7	N50	N50-H52 PolarHBondContact O-N 2.85Å; N50-H52 WeakPolarHBondContact OD1-CB 3.32Å; N50-H52 PolarHBondContact OD1-CD2 2.76Å; N50-H52 PolarHBondContact OD1-N 3.01Å
53	Y	90.8	Very high	89.3	Confident	170 Å²	170	72.3 Å²	72.3	67%	0.667	36%	0.363	S	S	*	.	S	Bend	trans	-88.8	137.3	173.1	-70.6	-59.1	0	0	0	110.6	N50 W118	N50-Y53 HydrophobicContact CB-CD2 3.81Å; N50-Y53 HydrophobicContact CB-CE2 4.29Å; N50-Y53 VanDerWaalsContact ND2-CD2 3.3Å; N50-Y53 WeakPolarHBondContact ND2-CD2 2.94Å; N50-Y53 WeakPolarHBondContact ND2-CE2 3.37Å; N50-Y53 PolarHBondContact O-N 3.14Å; N50-Y53 VanDerWaalsContact O-N 3.17Å; Y53-W118 VanDerWaalsContact O-CD1 3.27Å
54	I	93.1	Very high	89.8	Confident	24 Å²	24	70.7 Å²	70.7	12%	0.123	35%	0.348	C	S	.	.			trans	-72.7	132.9	174.9	-58.9	168.6	0	0	0	107.5	S56 T59 W118 Y185 E189	I54-S56 VanDerWaalsContact C-N 3.34Å; I54-S56 WeakPolarHBondContact CG2-O 3.43Å; I54-S56 PolarHBondContact O-N 3.13Å; I54-T59 VanDerWaalsContact CG2-OG1 3.31Å; I54-T59 WeakPolarHBondContact CG2-OG1 3.21Å; I54-W118 HydrophobicContact CG1-CZ2 4.31Å; I54-W118 HydrophobicContact CG2-CH2 4.49Å; I54-W118 HydrophobicContact CG2-CZ2 3.94Å; I54-Y185 HydrophobicContact CD1-CD1 4.01Å; I54-Y185 HydrophobicContact CD1-CE1 3.88Å; I54-Y185 HydrophobicContact CG1-CE1 4.06Å; I54-E189 HydrophobicContact CD1-CB 3.91Å; I54-E189 HydrophobicContact CD1-CG 3.89Å
55	P	92.1	Very high	90.4	Very high	29 Å²	29	70.1 Å²	70.1	19%	0.188	35%	0.345	C	S	.	.	S	Bend	trans	-61.6	-37.9	-175.9	-25.9	33.9	0	0	0	114.4	D92 W118	P55-D92 HydrophobicContact CB-CB 4.05Å; P55-D92 HydrophobicContact CG-CB 4.18Å; P55-W118 VanDerWaalsContact CD-CE3 3.45Å; P55-W118 HydrophobicContact CG-CB 4.42Å; P55-W118 HydrophobicContact CG-CD2 3.91Å; P55-W118 HydrophobicContact CG-CE3 3.6Å; P55-W118 HydrophobicContact CG-CG 4.28Å; P55-W118 HydrophobicContact CG-CZ3 4.13Å
56	S	91.8	Very high	91.1	Very high	53 Å²	53	71.8 Å²	71.8	37%	0.371	35%	0.348	S	S	.	.	S	Bend	trans	-144.5	152.8	180	175.5	0	0	0	0	111.4	I54 P58 T59	I54-S56 VanDerWaalsContact C-N 3.34Å; I54-S56 WeakPolarHBondContact CG2-O 3.43Å; I54-S56 PolarHBondContact O-N 3.13Å; S56-P58 VanDerWaalsContact C-C 3.44Å; S56-P58 CarbonylContact C-O 3.53Å; S56-P58 WeakPolarHBondContact CB-O 3.44Å; S56-P58 CarbonylContact O-C 3.37Å; S56-P58 PolarHBondContact OG-O 3.27Å; S56-T59 PolarHBondContact N-OG1 3.49Å; S56-T59 PolarHBondContact O-N 3.12Å; S56-T59 PolarHBondContact O-OG1 3.42Å
57	H	90.7	Very high	92	Very high	139 Å²	139	65 Å²	65	64%	0.644	32%	0.319	S	S	*	.	S	Bend	trans	-117.8	98	177.1	-67.1	-70.5	0	0	0	111
58	P	93.5	Very high	93.3	Very high	42 Å²	42	58.6 Å²	58.6	27%	0.273	28%	0.283	S	S	.	.	S	Bend	cis	-80.5	159.9	-5.2	33.3	-34.3	0	0	0	112.8	S56 E189 R191	S56-P58 VanDerWaalsContact C-C 3.44Å; S56-P58 CarbonylContact C-O 3.53Å; S56-P58 WeakPolarHBondContact CB-O 3.44Å; S56-P58 CarbonylContact O-C 3.37Å; S56-P58 PolarHBondContact OG-O 3.27Å; P58-E189 CarbonylContact C-O 3.52Å; P58-E189 VanDerWaalsContact CA-O 3.29Å; P58-E189 WeakPolarHBondContact CA-O 3.24Å; P58-R191 HydrophobicContact CB-CG 3.88Å; P58-R191 HydrophobicContact CG-CG 3.91Å
59	T	96.1	Very high	94.1	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.006	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	123.8	168.1	-62.2	0	0	0	0	108.8	I54 S56 V61 W90 W118 E189 V190 R191	I54-T59 VanDerWaalsContact CG2-OG1 3.31Å; I54-T59 WeakPolarHBondContact CG2-OG1 3.21Å; S56-T59 PolarHBondContact N-OG1 3.49Å; S56-T59 PolarHBondContact O-N 3.12Å; S56-T59 PolarHBondContact O-OG1 3.42Å; T59-V61 HydrophobicContact CG2-CG2 4.38Å; T59-W90 HydrophobicContact CG2-CB 4.12Å; T59-W118 HydrophobicContact CG2-CH2 3.99Å; T59-W118 HydrophobicContact CG2-CZ3 3.94Å; T59-E189 PolarHBondContact N-O 2.93Å; T59-V190 WeakPolarHBondContact O-CA 3.46Å; T59-R191 PolarHBondContact O-N 2.98Å
60	H	96.8	Very high	94.4	Very high	106 Å²	106	55.3 Å²	55.3	49%	0.491	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	118.1	178.5	-67.8	-79.1	0	0	0	110.6
61	V	97.4	Very high	94.7	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	114.4	178.9	-175.1	0	0	0	0	108.6	T59 V63 E88 F89 W90 P120 V190 R191 M192 Q193	T59-V61 HydrophobicContact CG2-CG2 4.38Å; V61-V63 HydrophobicContact CG1-CG2 4.05Å; V61-E88 HydrophobicContact CG1-CB 4.18Å; V61-F89 CarbonylContact C-O 3.58Å; V61-F89 WeakPolarHBondContact CA-O 3.49Å; V61-W90 HydrophobicContact CG2-CB 4.14Å; V61-P120 HydrophobicContact CG1-CG 4.38Å; V61-P120 HydrophobicContact CG2-CB 3.84Å; V61-P120 HydrophobicContact CG2-CG 4.31Å; V61-V190 HydrophobicContact CB-CG1 4.48Å; V61-V190 HydrophobicContact CG2-CG1 3.74Å; V61-R191 PolarHBondContact N-O 3.27Å; V61-M192 HydrophobicContact CB-CG 4.42Å; V61-M192 WeakPolarHBondContact O-CA 3.43Å; V61-Q193 PolarHBondContact O-N 2.96Å
62	R	97.3	Very high	94.9	Very high	90 Å²	90	52.8 Å²	52.8	34%	0.34	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	132.4	171.1	-66.2	-178.7	-67.9	110.4	3	109.1	E88 F89 Q193 N195	R62-E88 CarbonylContact O-C 3.56Å; R62-E88 WeakPolarHBondContact O-CA 3.35Å; R62-F89 HydrophobicContact CB-CB 4.3Å; R62-F89 PolarHBondContact N-O 3.27Å; R62-F89 PolarHBondContact O-N 3.44Å; R62-Q193 CarbonylContact C-O 3.58Å; R62-Q193 WeakPolarHBondContact CA-O 3.3Å; R62-Q193 HydrophobicContact CG-CG 3.92Å; R62-N195 PolarHBondContact NH1-OD1 2.89Å
63	V	97.8	Very high	95.2	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	136.4	-177.8	-177.5	0	0	0	0	110.3	V61 I86 N87 F180 M192 Q193 W194 N195 L233	V61-V63 HydrophobicContact CG1-CG2 4.05Å; V63-I86 HydrophobicContact CG1-CG2 4.06Å; V63-N87 VanDerWaalsContact CA-O 3.3Å; V63-N87 WeakPolarHBondContact CA-O 3.43Å; V63-F180 HydrophobicContact CG1-CD1 4.05Å; V63-F180 HydrophobicContact CG1-CE1 4.03Å; V63-F180 HydrophobicContact CG2-CD1 4.45Å; V63-F180 HydrophobicContact CG2-CE1 4.22Å; V63-M192 HydrophobicContact CG2-CE 3.85Å; V63-Q193 PolarHBondContact N-O 3.34Å; V63-W194 HydrophobicContact CG1-CZ3 4.33Å; V63-W194 CarbonylContact O-C 3.59Å; V63-N195 WeakPolarHBondContact O-CB 3.47Å; V63-N195 PolarHBondContact O-N 2.88Å; V63-L233 HydrophobicContact CB-CD1 3.81Å; V63-L233 HydrophobicContact CG1-CD1 4.48Å; V63-L233 HydrophobicContact CG2-CD1 3.94Å
64	D	96.9	Very high	95.3	Very high	8 Å²	8	40 Å²	40	4%	0.043	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	152.9	161.3	62.8	61.3	0	0	0	111.9	W66 N87 F89 N195 P199	D64-W66 PolarHBondContact OD1-NE1 2.74Å; D64-N87 PolarHBondContact N-O 2.98Å; D64-N87 PolarHBondContact O-N 3Å; D64-N87 VanDerWaalsContact OD1-CB 3.24Å; D64-N87 WeakPolarHBondContact OD1-CB 3.39Å; D64-N87 PolarHBondContact OD1-ND2 3.33Å; D64-F89 WeakPolarHBondContact OD2-CE2 3.33Å; D64-N195 HydrophobicContact CB-CB 3.83Å; D64-N195 PolarHBondContact OD2-ND2 3.31Å; D64-P199 WeakPolarHBondContact CA-O 3.41Å
65	M	97.4	Very high	95.3	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	122.6	-174.6	177.9	-172.7	-61.6	0	0	109.9	V67 L84 Y85 I86 F124 W194 P199 V200 I201 V235 F237	M65-V67 HydrophobicContact CG-CG2 4.34Å; M65-V67 HydrophobicContact SD-CG2 4.26Å; M65-L84 HydrophobicContact CE-CD2 4.33Å; M65-L84 HydrophobicContact CG-CB 4.5Å; M65-L84 HydrophobicContact CG-CD2 4.22Å; M65-L84 HydrophobicContact SD-CD2 3.91Å; M65-Y85 CarbonylContact C-O 3.54Å; M65-Y85 WeakPolarHBondContact CA-O 3.09Å; M65-I86 HydrophobicContact CB-CD1 3.86Å; M65-I86 HydrophobicContact CE-CD1 3.85Å; M65-I86 HydrophobicContact CG-CD1 3.73Å; M65-F124 HydrophobicContact CE-CE1 3.85Å; M65-F124 HydrophobicContact CE-CZ 3.97Å; M65-W194 HydrophobicContact CB-CZ3 4.49Å; M65-W194 HydrophobicContact CE-CH2 4.41Å; M65-P199 PolarHBondContact N-O 3.16Å; M65-V200 HydrophobicContact CB-CG2 4.3Å; M65-V200 CarbonylContact O-C 3.59Å; M65-V200 VanDerWaalsContact O-CA 3.28Å; M65-V200 WeakPolarHBondContact O-CA 3.27Å; M65-I201 PolarHBondContact O-N 3.31Å; M65-V235 HydrophobicContact CE-CG2 3.75Å; M65-V235 HydrophobicContact SD-CG2 4.09Å; M65-F237 HydrophobicContact SD-CZ 4.12Å
66	W	97.2	Very high	95.3	Very high	80 Å²	80	43.6 Å²	43.6	30%	0.303	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	110.7	173.6	-53	-3.1	0	0	0	109.5	D64 Q68 L84 Y85 N87 I201 L203	D64-W66 PolarHBondContact OD1-NE1 2.74Å; W66-Q68 PolarHBondContact O-N 3.48Å; W66-L84 CarbonylContact O-C 3.59Å; W66-L84 VanDerWaalsContact O-CA 3.29Å; W66-L84 WeakPolarHBondContact O-CA 3.39Å; W66-Y85 HydrophobicContact CB-CD2 4.44Å; W66-Y85 PolarHBondContact N-O 3.42Å; W66-Y85 PolarHBondContact O-N 2.96Å; W66-N87 VanDerWaalsContact CE2-ND2 3.27Å; W66-N87 PolarHBondContact NE1-ND2 3.46Å; W66-N87 VanDerWaalsContact NE1-ND2 3.18Å; W66-I201 CarbonylContact C-O 3.49Å; W66-I201 VanDerWaalsContact CA-O 3.27Å; W66-I201 WeakPolarHBondContact CA-O 3.42Å; W66-I201 HydrophobicContact CG-CB 4.28Å; W66-L203 HydrophobicContact CB-CD1 3.91Å; W66-L203 HydrophobicContact CB-CG 4.35Å
67	V	97.3	Very high	95.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	116.2	178.9	-175	0	0	0	0	108.9	M65 I82 V200 I201 L202 L203 I206 F237	M65-V67 HydrophobicContact CG-CG2 4.34Å; M65-V67 HydrophobicContact SD-CG2 4.26Å; V67-I82 HydrophobicContact CG1-CD1 3.69Å; V67-I82 HydrophobicContact CG1-CG1 3.89Å; V67-I82 HydrophobicContact CG2-CD1 4.18Å; V67-V200 HydrophobicContact CG2-CG1 4.17Å; V67-I201 PolarHBondContact N-O 3.06Å; V67-L202 HydrophobicContact CB-CD2 3.79Å; V67-L202 HydrophobicContact CG1-CD2 4.42Å; V67-L202 HydrophobicContact CG2-CD2 4.03Å; V67-L203 WeakPolarHBondContact O-CB 3.35Å; V67-L203 PolarHBondContact O-N 3.24Å; V67-I206 HydrophobicContact CB-CD1 4.23Å; V67-I206 HydrophobicContact CG1-CD1 3.38Å; V67-F237 HydrophobicContact CG2-CE1 3.99Å; V67-F237 HydrophobicContact CG2-CZ 4.07Å
68	Q	95.6	Very high	95.5	Very high	39 Å²	39	42 Å²	42	18%	0.182	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	-55.3	176.2	-174.3	-178.3	-29.1	0	0	109.7	W66 D83 Y85 R155 L203 K204	W66-Q68 PolarHBondContact O-N 3.48Å; Q68-D83 WeakPolarHBondContact CA-O 3.4Å; Q68-D83 HydrophobicContact CB-CB 4.47Å; Q68-D83 VanDerWaalsContact CB-O 3.3Å; Q68-D83 WeakPolarHBondContact CB-O 3.36Å; Q68-D83 PolarHBondContact N-O 3.23Å; Q68-Y85 HydrophobicContact CB-CD2 4.4Å; Q68-Y85 HydrophobicContact CB-CE2 4.01Å; Q68-Y85 HydrophobicContact CG-CE2 4.32Å; Q68-Y85 PolarHBondContact OE1-OH 3.31Å; Q68-R155 VanDerWaalsContact OE1-NE 3.17Å; Q68-L203 HydrophobicContact CB-CD1 3.99Å; Q68-L203 HydrophobicContact CG-CD1 4.46Å; Q68-K204 WeakPolarHBondContact O-CE 3.45Å; Q68-K204 WeakPolarHBondContact O-CG 3.48Å
69	E	95.3	Very high	95.7	Very high	62 Å²	62	41 Å²	41	29%	0.29	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	160.7	177.3	62	-164.7	144.8	0	0	112.6	I82 D83 K204	E69-I82 WeakPolarHBondContact O-CG1 3.33Å; E69-D83 HydrophobicContact CG-CB 3.98Å; E69-D83 PolarHBondContact N-O 3.18Å; E69-D83 VanDerWaalsContact N-O 3.1Å; E69-D83 PolarHBondContact O-N 3.27Å; E69-K204 VanDerWaalsContact CB-CE 3.49Å; E69-K204 IonicContact OE2-NZ 3.85Å; E69-K204 PolarHBondContact OE2-NZ 2.76Å
70	V	96.4	Very high	95.7	Very high	10 Å²	10	41 Å²	41	6%	0.061	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	116.8	166.2	178	0	0	0	0	106.4	V73 E81 I82 I206 L208 F239	V70-V73 HydrophobicContact CG1-CG2 4Å; V70-E81 CarbonylContact C-O 3.52Å; V70-E81 WeakPolarHBondContact CA-O 3.21Å; V70-E81 WeakPolarHBondContact CG1-O 3.24Å; V70-I82 HydrophobicContact CG2-CB 4.41Å; V70-I82 HydrophobicContact CG2-CD1 4.08Å; V70-I82 HydrophobicContact CG2-CG1 3.97Å; V70-I206 HydrophobicContact CB-CG2 3.72Å; V70-I206 HydrophobicContact CG2-CD1 4.02Å; V70-I206 HydrophobicContact CG2-CG2 3.8Å; V70-L208 HydrophobicContact CB-CD1 4.27Å; V70-L208 HydrophobicContact CG1-CD1 4.24Å; V70-L208 HydrophobicContact CG1-CD2 4.13Å; V70-F239 HydrophobicContact CB-CE1 4.43Å; V70-F239 HydrophobicContact CG1-CE1 4.05Å; V70-F239 HydrophobicContact CG1-CZ 4Å; V70-F239 HydrophobicContact CG2-CE1 4.11Å; V70-F239 HydrophobicContact CG2-CZ 4.04Å
71	T	94.4	Very high	95.7	Very high	68 Å²	68	38.3 Å²	38.3	42%	0.417	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	-43.9	-173.5	-74.2	0	0	0	0	111.1	E81 D83	T71-E81 HydrophobicContact CG2-CB 4.45Å; T71-E81 PolarHBondContact N-O 3.13Å; T71-D83 PolarHBondContact OG1-OD2 3.47Å
72	S	95.1	Very high	95.7	Very high	41 Å²	41	38.3 Å²	38.3	29%	0.287	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	154.5	-180	64.6	0	0	0	0	111.7	F80 E81	S72-F80 CarbonylContact O-C 3.54Å; S72-F80 VanDerWaalsContact O-CA 3.23Å; S72-F80 WeakPolarHBondContact O-CA 3.07Å; S72-F80 WeakPolarHBondContact O-CB 3.04Å; S72-E81 PolarHBondContact N-O 3Å; S72-E81 PolarHBondContact O-N 3.35Å
73	V	95.9	Very high	95.7	Very high	15 Å²	15	34.5 Å²	34.5	9%	0.091	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	115.9	168.3	178.8	0	0	0	0	105.5	V70 F80 M164 L208 F211 F239	V70-V73 HydrophobicContact CG1-CG2 4Å; V73-F80 HydrophobicContact CB-CB 4.49Å; V73-F80 HydrophobicContact CG2-CB 4.01Å; V73-M164 HydrophobicContact CG1-CE 3.48Å; V73-M164 VanDerWaalsContact CG1-CE 3.48Å; V73-L208 HydrophobicContact CG2-CD2 4.18Å; V73-F211 HydrophobicContact CB-CD2 3.87Å; V73-F211 HydrophobicContact CB-CE2 3.98Å; V73-F211 HydrophobicContact CB-CG 4.44Å; V73-F211 HydrophobicContact CG1-CD2 4.15Å; V73-F211 HydrophobicContact CG1-CE2 3.87Å; V73-F211 HydrophobicContact CG1-CZ 4.05Å; V73-F239 HydrophobicContact CG2-CD1 4.17Å; V73-F239 HydrophobicContact CG2-CD2 4.29Å; V73-F239 HydrophobicContact CG2-CE1 4.13Å; V73-F239 HydrophobicContact CG2-CE2 4.24Å; V73-F239 HydrophobicContact CG2-CG 4.24Å; V73-F239 HydrophobicContact CG2-CZ 4.17Å
74	S	94.4	Very high	95.7	Very high	29 Å²	29	34.4 Å²	34.4	20%	0.203	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	117.7	-171	173.7	0	0	0	0	110.9	L76 T77 Q78 D79 M164	S74-L76 VanDerWaalsContact C-N 3.34Å; S74-T77 WeakPolarHBondContact CB-OG1 3.05Å; S74-T77 PolarHBondContact OG-N 3.48Å; S74-T77 PolarHBondContact OG-OG1 2.9Å; S74-Q78 WeakPolarHBondContact O-CA 3.48Å; S74-Q78 PolarHBondContact O-N 3.48Å; S74-D79 PolarHBondContact N-O 2.91Å; S74-D79 PolarHBondContact O-N 3.31Å; S74-M164 VanDerWaalsContact O-CE 3.28Å; S74-M164 WeakPolarHBondContact O-CE 3.43Å
75	E	92.3	Very high	95.7	Very high	23 Å²	23	36.7 Å²	36.7	11%	0.107	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-30.2	174.5	-50.9	82.1	176.2	0	0	112	M164 L166 F211 R241 P298	E75-M164 HydrophobicContact CB-SD 4.03Å; E75-M164 HydrophobicContact CG-SD 3.77Å; E75-L166 HydrophobicContact CG-CD2 4.41Å; E75-F211 WeakPolarHBondContact OE1-CE2 3.1Å; E75-F211 WeakPolarHBondContact OE1-CZ 3.37Å; E75-R241 IonicContact OE1-CZ 2.78Å; E75-R241 IonicContact OE1-NH1 3.37Å; E75-R241 PolarHBondContact OE1-NH1 3.06Å; E75-R241 IonicContact OE1-NH2 3.91Å; E75-R241 PolarHBondContact OE1-NH2 2.7Å; E75-P298 HydrophobicContact CB-CG 4.08Å; E75-P298 WeakPolarHBondContact O-CB 3.5Å; E75-P298 VanDerWaalsContact O-CG 3.24Å; E75-P298 WeakPolarHBondContact O-CG 3.38Å
76	L	91.6	Very high	95.7	Very high	107 Å²	107	36.6 Å²	36.6	56%	0.56	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-41.9	-177.5	-68.6	175.8	0	0	0	111.6	S74	S74-L76 VanDerWaalsContact C-N 3.34Å
77	T	93.5	Very high	95.7	Very high	75 Å²	75	32.8 Å²	32.8	46%	0.46	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-7.5	-179.3	46	0	0	0	0	113.2	S74 D79 K128	S74-T77 WeakPolarHBondContact CB-OG1 3.05Å; S74-T77 PolarHBondContact OG-N 3.48Å; S74-T77 PolarHBondContact OG-OG1 2.9Å; T77-D79 WeakPolarHBondContact CB-OD1 3.28Å; T77-D79 WeakPolarHBondContact CB-OD2 3.4Å; T77-D79 PolarHBondContact OG1-OD1 3.5Å; T77-D79 PolarHBondContact OG1-OD2 2.88Å; T77-K128 PolarHBondContact O-NZ 3.39Å
78	Q	93.8	Very high	95.7	Very high	83 Å²	83	32.9 Å²	32.9	39%	0.388	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	51.3	-178	-59.6	-174.7	-64	0	0	111.7	S74 K128 C162	S74-Q78 WeakPolarHBondContact O-CA 3.48Å; S74-Q78 PolarHBondContact O-N 3.48Å; Q78-K128 PolarHBondContact O-NZ 3.05Å; Q78-K128 VanDerWaalsContact O-NZ 3.07Å; Q78-C162 CarbonylContact C-O 3.43Å; Q78-C162 WeakPolarHBondContact CB-O 3.33Å; Q78-C162 PolarHBondContact O-N 2.98Å
79	D	96.4	Very high	95.8	Very high	21 Å²	21	32.3 Å²	32.3	11%	0.112	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	169.4	176.2	42.4	39.1	0	0	0	112.2	S74 T77 K128 T159 G160	S74-D79 PolarHBondContact N-O 2.91Å; S74-D79 PolarHBondContact O-N 3.31Å; T77-D79 WeakPolarHBondContact CB-OD1 3.28Å; T77-D79 WeakPolarHBondContact CB-OD2 3.4Å; T77-D79 PolarHBondContact OG1-OD1 3.5Å; T77-D79 PolarHBondContact OG1-OD2 2.88Å; D79-K128 HydrophobicContact CB-CD 3.97Å; D79-K128 VanDerWaalsContact CB-NZ 3.35Å; D79-K128 IonicContact OD2-NZ 3.33Å; D79-K128 PolarHBondContact OD2-NZ 3.38Å; D79-T159 HydrophobicContact CB-CG2 3.91Å; D79-G160 WeakPolarHBondContact CA-O 3.49Å; D79-G160 WeakPolarHBondContact CB-O 3.5Å
80	F	96.9	Very high	95.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	144.5	170.7	69.1	-71.6	0	0	0	109.6	S72 V73 I82 T159 G160 C162 C176 L178 F237 F239	S72-F80 CarbonylContact O-C 3.54Å; S72-F80 VanDerWaalsContact O-CA 3.23Å; S72-F80 WeakPolarHBondContact O-CA 3.07Å; S72-F80 WeakPolarHBondContact O-CB 3.04Å; V73-F80 HydrophobicContact CB-CB 4.49Å; V73-F80 HydrophobicContact CG2-CB 4.01Å; F80-I82 HydrophobicContact CD2-CB 4.29Å; F80-I82 HydrophobicContact CD2-CG2 4.42Å; F80-I82 HydrophobicContact CE2-CB 4.27Å; F80-I82 HydrophobicContact CE2-CD1 4.4Å; F80-I82 HydrophobicContact CE2-CG2 4.07Å; F80-T159 CarbonylContact O-C 3.56Å; F80-T159 WeakPolarHBondContact O-CA 3.35Å; F80-G160 VanDerWaalsContact CD1-O 3.26Å; F80-G160 WeakPolarHBondContact CD1-O 3.32Å; F80-G160 PolarHBondContact N-O 2.91Å; F80-G160 PolarHBondContact O-N 3.29Å; F80-C162 HydrophobicContact CD1-CB 4.02Å; F80-C176 HydrophobicContact CD1-CB 3.64Å; F80-C176 HydrophobicContact CE1-CB 3.43Å; F80-C176 VanDerWaalsContact CE1-CB 3.43Å; F80-C176 HydrophobicContact CG-CB 4.34Å; F80-C176 HydrophobicContact CZ-CB 3.96Å; F80-L178 HydrophobicContact CE1-CD2 4.08Å; F80-L178 HydrophobicContact CE2-CD1 4.33Å; F80-L178 HydrophobicContact CE2-CD2 4.21Å; F80-L178 HydrophobicContact CE2-CG 4.25Å; F80-L178 HydrophobicContact CZ-CD1 4.22Å; F80-L178 HydrophobicContact CZ-CD2 3.45Å; F80-L178 VanDerWaalsContact CZ-CD2 3.45Å; F80-L178 HydrophobicContact CZ-CG 3.64Å; F80-F237 HydrophobicContact CE2-CD2 4.13Å; F80-F237 HydrophobicContact CZ-CD2 4.24Å; F80-F239 HydrophobicContact CD2-CE2 4.38Å; F80-F239 HydrophobicContact CD2-CZ 4.42Å
81	E	97.3	Very high	95.8	Very high	50 Å²	50	34.3 Å²	34.3	23%	0.234	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	130.6	174.8	-66	-169.5	-179.7	0	0	109.9	V70 T71 S72 K157 L158 T159	V70-E81 CarbonylContact C-O 3.52Å; V70-E81 WeakPolarHBondContact CA-O 3.21Å; V70-E81 WeakPolarHBondContact CG1-O 3.24Å; T71-E81 HydrophobicContact CG2-CB 4.45Å; T71-E81 PolarHBondContact N-O 3.13Å; S72-E81 PolarHBondContact N-O 3Å; S72-E81 PolarHBondContact O-N 3.35Å; E81-K157 WeakPolarHBondContact OE2-CE 3.46Å; E81-K157 IonicContact OE2-NZ 3.35Å; E81-K157 PolarHBondContact OE2-NZ 3.41Å; E81-L158 CarbonylContact C-O 3.58Å; E81-L158 WeakPolarHBondContact CA-O 3.23Å; E81-T159 HydrophobicContact CG-CG2 4.2Å
82	I	97.1	Very high	95.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	136.5	-176.8	-171	171.7	0	0	0	109.9	V67 E69 V70 F80 L84 L158 L178 F237	V67-I82 HydrophobicContact CG1-CD1 3.69Å; V67-I82 HydrophobicContact CG1-CG1 3.89Å; V67-I82 HydrophobicContact CG2-CD1 4.18Å; E69-I82 WeakPolarHBondContact O-CG1 3.33Å; V70-I82 HydrophobicContact CG2-CB 4.41Å; V70-I82 HydrophobicContact CG2-CD1 4.08Å; V70-I82 HydrophobicContact CG2-CG1 3.97Å; F80-I82 HydrophobicContact CD2-CB 4.29Å; F80-I82 HydrophobicContact CD2-CG2 4.42Å; F80-I82 HydrophobicContact CE2-CB 4.27Å; F80-I82 HydrophobicContact CE2-CD1 4.4Å; F80-I82 HydrophobicContact CE2-CG2 4.07Å; I82-L84 HydrophobicContact CD1-CD2 4.28Å; I82-L84 HydrophobicContact CG1-CD2 4.4Å; I82-L84 HydrophobicContact CG2-CD2 4.07Å; I82-L158 HydrophobicContact CG2-CB 3.85Å; I82-L158 HydrophobicContact CG2-CD2 4.16Å; I82-L158 HydrophobicContact CG2-CG 4.38Å; I82-L158 PolarHBondContact N-O 3.3Å; I82-L158 PolarHBondContact O-N 2.79Å; I82-L178 HydrophobicContact CG2-CD1 4.09Å; I82-F237 HydrophobicContact CD1-CE1 4.26Å; I82-F237 HydrophobicContact CD1-CE2 4.14Å; I82-F237 HydrophobicContact CD1-CZ 3.83Å
83	D	97.1	Very high	95.7	Very high	10 Å²	10	33.1 Å²	33.1	5%	0.053	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	123	171.1	-70.5	-69.5	0	0	0	107.9	Q68 E69 T71 H133 M156 K157	Q68-D83 WeakPolarHBondContact CA-O 3.4Å; Q68-D83 HydrophobicContact CB-CB 4.47Å; Q68-D83 VanDerWaalsContact CB-O 3.3Å; Q68-D83 WeakPolarHBondContact CB-O 3.36Å; Q68-D83 PolarHBondContact N-O 3.23Å; E69-D83 HydrophobicContact CG-CB 3.98Å; E69-D83 PolarHBondContact N-O 3.18Å; E69-D83 VanDerWaalsContact N-O 3.1Å; E69-D83 PolarHBondContact O-N 3.27Å; T71-D83 PolarHBondContact OG1-OD2 3.47Å; D83-H133 IonicContact OD1-CD2 2.8Å; D83-H133 IonicContact OD1-CE1 2.78Å; D83-H133 PolarHBondContact OD1-CE1 3.12Å; D83-H133 IonicContact OD1-NE2 3.99Å; D83-H133 PolarHBondContact OD1-NE2 3.22Å; D83-M156 WeakPolarHBondContact CA-O 3.25Å; D83-K157 WeakPolarHBondContact OD1-CA 3.12Å; D83-K157 VanDerWaalsContact OD1-CB 3.28Å; D83-K157 WeakPolarHBondContact OD1-CB 3.26Å; D83-K157 WeakPolarHBondContact OD1-CG 3.33Å
84	L	97.2	Very high	95.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	164.5	-172.4	59.9	74.4	0	0	0	111.5	M65 W66 I82 I86 F124 M156 L158 L178	M65-L84 HydrophobicContact CE-CD2 4.33Å; M65-L84 HydrophobicContact CG-CB 4.5Å; M65-L84 HydrophobicContact CG-CD2 4.22Å; M65-L84 HydrophobicContact SD-CD2 3.91Å; W66-L84 CarbonylContact O-C 3.59Å; W66-L84 VanDerWaalsContact O-CA 3.29Å; W66-L84 WeakPolarHBondContact O-CA 3.39Å; I82-L84 HydrophobicContact CD1-CD2 4.28Å; I82-L84 HydrophobicContact CG1-CD2 4.4Å; I82-L84 HydrophobicContact CG2-CD2 4.07Å; L84-I86 HydrophobicContact CD1-CD1 3.65Å; L84-I86 HydrophobicContact CD1-CG1 3.48Å; L84-I86 VanDerWaalsContact CD1-CG1 3.48Å; L84-F124 HydrophobicContact CD1-CE2 4.34Å; L84-F124 HydrophobicContact CD1-CZ 4.27Å; L84-F124 HydrophobicContact CD2-CZ 4.15Å; L84-M156 HydrophobicContact CD1-CB 4.33Å; L84-M156 PolarHBondContact N-O 3.23Å; L84-M156 PolarHBondContact O-N 2.95Å; L84-L158 HydrophobicContact CD2-CD2 4.24Å; L84-L178 HydrophobicContact CD2-CD1 4.12Å
85	Y	97.4	Very high	95.4	Very high	55 Å²	55	34.4 Å²	34.4	22%	0.216	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	133.5	167.2	-59.4	-98.6	0	0	0	108.8	M65 W66 Q68 N153 Y154 R155 L203	M65-Y85 CarbonylContact C-O 3.54Å; M65-Y85 WeakPolarHBondContact CA-O 3.09Å; W66-Y85 HydrophobicContact CB-CD2 4.44Å; W66-Y85 PolarHBondContact N-O 3.42Å; W66-Y85 PolarHBondContact O-N 2.96Å; Q68-Y85 HydrophobicContact CB-CD2 4.4Å; Q68-Y85 HydrophobicContact CB-CE2 4.01Å; Q68-Y85 HydrophobicContact CG-CE2 4.32Å; Q68-Y85 PolarHBondContact OE1-OH 3.31Å; Y85-N153 WeakPolarHBondContact CD1-OD1 3.42Å; Y85-Y154 CarbonylContact C-O 3.58Å; Y85-Y154 VanDerWaalsContact CA-O 3.25Å; Y85-Y154 WeakPolarHBondContact CA-O 3.1Å; Y85-R155 HydrophobicContact CD1-CB 3.7Å; Y85-R155 HydrophobicContact CD1-CG 3.89Å; Y85-R155 HydrophobicContact CE1-CB 3.56Å; Y85-R155 HydrophobicContact CE1-CG 3.46Å; Y85-R155 VanDerWaalsContact CE1-CG 3.46Å; Y85-R155 HydrophobicContact CE2-CG 4.4Å; Y85-R155 WeakPolarHBondContact OH-CD 3.46Å; Y85-R155 PolarHBondContact OH-NE 3.09Å; Y85-L203 HydrophobicContact CD2-CD1 3.75Å; Y85-L203 HydrophobicContact CE2-CD1 3.8Å
86	I	97.3	Very high	95.5	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	123	169.1	-62.2	-59.8	0	0	0	108.6	V63 M65 L84 E88 F124 N153 Y154 M156 F180	V63-I86 HydrophobicContact CG1-CG2 4.06Å; M65-I86 HydrophobicContact CB-CD1 3.86Å; M65-I86 HydrophobicContact CE-CD1 3.85Å; M65-I86 HydrophobicContact CG-CD1 3.73Å; L84-I86 HydrophobicContact CD1-CD1 3.65Å; L84-I86 HydrophobicContact CD1-CG1 3.48Å; L84-I86 VanDerWaalsContact CD1-CG1 3.48Å; I86-E88 HydrophobicContact CG2-CG 4.03Å; I86-F124 HydrophobicContact CD1-CE2 4.28Å; I86-F124 HydrophobicContact CD1-CZ 3.66Å; I86-F124 HydrophobicContact CG1-CE2 3.97Å; I86-F124 HydrophobicContact CG1-CZ 3.88Å; I86-N153 CarbonylContact O-C 3.6Å; I86-N153 VanDerWaalsContact O-CA 3.3Å; I86-N153 WeakPolarHBondContact O-CA 3.44Å; I86-Y154 PolarHBondContact N-O 2.85Å; I86-Y154 PolarHBondContact O-N 3.08Å; I86-M156 HydrophobicContact CG1-SD 4.45Å; I86-F180 HydrophobicContact CG2-CE1 4.02Å; I86-F180 HydrophobicContact CG2-CE2 4.37Å; I86-F180 HydrophobicContact CG2-CZ 3.75Å
87	N	97.2	Very high	95.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	133.3	171.4	-59.6	-75.7	0	0	0	109.7	V63 D64 W66 F89 W151 T152 N153	V63-N87 VanDerWaalsContact CA-O 3.3Å; V63-N87 WeakPolarHBondContact CA-O 3.43Å; D64-N87 PolarHBondContact N-O 2.98Å; D64-N87 PolarHBondContact O-N 3Å; D64-N87 VanDerWaalsContact OD1-CB 3.24Å; D64-N87 WeakPolarHBondContact OD1-CB 3.39Å; D64-N87 PolarHBondContact OD1-ND2 3.33Å; W66-N87 VanDerWaalsContact CE2-ND2 3.27Å; W66-N87 PolarHBondContact NE1-ND2 3.46Å; W66-N87 VanDerWaalsContact NE1-ND2 3.18Å; N87-F89 HydrophobicContact CB-CE2 3.63Å; N87-F89 HydrophobicContact CB-CZ 3.99Å; N87-W151 PolarHBondContact OD1-NE1 3.46Å; N87-T152 CarbonylContact C-O 3.58Å; N87-T152 VanDerWaalsContact CA-O 3.24Å; N87-T152 WeakPolarHBondContact CA-O 3.43Å; N87-N153 WeakPolarHBondContact OD1-CB 3.27Å; N87-N153 PolarHBondContact OD1-ND2 3.43Å
88	E	97.4	Very high	95.4	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	137	173.6	-39.4	179.5	126.7	0	0	109	V61 R62 I86 W90 T122 W151 T152 F180	V61-E88 HydrophobicContact CG1-CB 4.18Å; R62-E88 CarbonylContact O-C 3.56Å; R62-E88 WeakPolarHBondContact O-CA 3.35Å; I86-E88 HydrophobicContact CG2-CG 4.03Å; E88-W90 HydrophobicContact CB-CE3 4.31Å; E88-W90 HydrophobicContact CB-CZ3 4.18Å; E88-T122 VanDerWaalsContact OE1-CB 3.3Å; E88-T122 WeakPolarHBondContact OE1-CB 3.37Å; E88-T122 WeakPolarHBondContact OE1-CG2 3.36Å; E88-T122 PolarHBondContact OE1-OG1 3.44Å; E88-W151 WeakPolarHBondContact O-CA 3.46Å; E88-T152 WeakPolarHBondContact CB-OG1 3.47Å; E88-T152 PolarHBondContact N-O 3.43Å; E88-T152 PolarHBondContact O-N 3.26Å; E88-T152 PolarHBondContact OE2-OG1 3.4Å; E88-F180 WeakPolarHBondContact OE1-CE1 3.44Å; E88-F180 WeakPolarHBondContact OE1-CZ 3.2Å
89	F	96.9	Very high	95.2	Very high	28 Å²	28	36.2 Å²	36.2	12%	0.123	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	123	179	-53.3	-93.9	0	0	0	109.2	V61 R62 D64 N87 L150 W151	V61-F89 CarbonylContact C-O 3.58Å; V61-F89 WeakPolarHBondContact CA-O 3.49Å; R62-F89 HydrophobicContact CB-CB 4.3Å; R62-F89 PolarHBondContact N-O 3.27Å; R62-F89 PolarHBondContact O-N 3.44Å; D64-F89 WeakPolarHBondContact OD2-CE2 3.33Å; N87-F89 HydrophobicContact CB-CE2 3.63Å; N87-F89 HydrophobicContact CB-CZ 3.99Å; F89-L150 VanDerWaalsContact CA-O 3.3Å; F89-L150 WeakPolarHBondContact CA-O 3.18Å; F89-W151 HydrophobicContact CD1-CB 3.74Å; F89-W151 AromaticContact CD1-CD1 3.79Å; F89-W151 AromaticContact CD1-CG 3.79Å; F89-W151 HydrophobicContact CD1-CG 3.79Å; F89-W151 HydrophobicContact CE1-CB 3.72Å; F89-W151 AromaticContact CE1-CD1 3.23Å; F89-W151 AromaticContact CE1-CD2 3.72Å; F89-W151 HydrophobicContact CE1-CD2 3.72Å; F89-W151 AromaticContact CE1-CE2 3.98Å; F89-W151 AromaticContact CE1-CG 3.27Å; F89-W151 HydrophobicContact CE1-CG 3.27Å; F89-W151 AromaticContact CE1-NE1 3.69Å; F89-W151 AromaticContact CZ-CD1 3.48Å; F89-W151 VanDerWaalsContact CZ-CD1 3.48Å; F89-W151 HydrophobicContact CZ-CD2 4.22Å; F89-W151 AromaticContact CZ-CE2 3.98Å; F89-W151 AromaticContact CZ-CG 3.95Å; F89-W151 HydrophobicContact CZ-CG 3.95Å; F89-W151 AromaticContact CZ-NE1 3.52Å
90	W	96.8	Very high	94.8	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.015	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	170.6	172.2	71.9	96.9	0	0	0	109.7	T59 V61 E88 W118 L119 T149 L150 T152	T59-W90 HydrophobicContact CG2-CB 4.12Å; V61-W90 HydrophobicContact CG2-CB 4.14Å; E88-W90 HydrophobicContact CB-CE3 4.31Å; E88-W90 HydrophobicContact CB-CZ3 4.18Å; W90-W118 AromaticContact NE1-CE3 3.95Å; W90-L119 HydrophobicContact CH2-CD2 3.98Å; W90-L119 HydrophobicContact CZ2-CD2 4.22Å; W90-T149 CarbonylContact O-C 3.36Å; W90-T149 WeakPolarHBondContact O-CA 3.49Å; W90-L150 HydrophobicContact CD2-CB 4.01Å; W90-L150 HydrophobicContact CE3-CB 4.31Å; W90-L150 HydrophobicContact CH2-CB 4.2Å; W90-L150 HydrophobicContact CH2-CD2 4.46Å; W90-L150 HydrophobicContact CZ2-CB 3.86Å; W90-L150 HydrophobicContact CZ2-CD2 3.68Å; W90-L150 HydrophobicContact CZ2-CG 4.27Å; W90-L150 HydrophobicContact CZ3-CB 4.39Å; W90-L150 PolarHBondContact N-O 2.87Å; W90-L150 PolarHBondContact O-N 3.19Å; W90-T152 HydrophobicContact CH2-CG2 3.37Å; W90-T152 HydrophobicContact CZ3-CG2 3.58Å; W90-T152 WeakPolarHBondContact CZ3-OG1 3.39Å
91	E	95.8	Very high	94.5	Very high	110 Å²	110	42.9 Å²	42.9	51%	0.514	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	133	180	-168.1	174.7	174.1	0	0	109.4
92	D	95	Very high	94.2	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.021	22%	0.224	C	C	.	.			trans	-122.9	106	174.6	-171.4	-20.4	0	0	0	109.5	Y49 P55 A94 L95 G148 L150	Y49-D92 VanDerWaalsContact CE2-OD2 3.24Å; Y49-D92 WeakPolarHBondContact CE2-OD2 3.2Å; Y49-D92 PolarHBondContact OH-OD2 2.64Å; P55-D92 HydrophobicContact CB-CB 4.05Å; P55-D92 HydrophobicContact CG-CB 4.18Å; D92-A94 PolarHBondContact O-N 2.98Å; D92-A94 VanDerWaalsContact O-N 3.14Å; D92-A94 WeakPolarHBondContact OD1-CB 3.3Å; D92-A94 PolarHBondContact OD1-N 3.4Å; D92-L95 HydrophobicContact CB-CB 4.33Å; D92-L95 HydrophobicContact CB-CD1 4.01Å; D92-L95 HydrophobicContact CB-CG 4.21Å; D92-L95 PolarHBondContact O-N 2.98Å; D92-G148 PolarHBondContact N-O 3.33Å; D92-L150 HydrophobicContact CB-CD1 3.48Å; D92-L150 VanDerWaalsContact CB-CD1 3.48Å
93	P	92.8	Very high	93.8	Very high	79 Å²	79	44.3 Å²	44.3	51%	0.513	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-58.4	-25.1	179.3	-25.9	35.2	0	0	0	114	L95 V96	P93-L95 PolarHBondContact O-N 3.14Å; P93-V96 WeakPolarHBondContact O-CG2 3.13Å
94	A	91.6	Very high	93.5	Very high	68 Å²	68	48.9 Å²	48.9	56%	0.562	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-75.5	-12.6	178.8	0	0	0	0	0	113	Y49 D92	Y49-A94 HydrophobicContact CD2-CB 3.98Å; Y49-A94 HydrophobicContact CE2-CB 3.99Å; D92-A94 PolarHBondContact O-N 2.98Å; D92-A94 VanDerWaalsContact O-N 3.14Å; D92-A94 WeakPolarHBondContact OD1-CB 3.3Å; D92-A94 PolarHBondContact OD1-N 3.4Å
95	L	92.2	Very high	93.2	Very high	3 Å²	3	58 Å²	58	2%	0.016	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-106.8	12.5	-178.7	-61.7	176.2	0	0	0	113.5	L44 Y49 D92 P93 Y97 L117 V144 L150	L44-L95 HydrophobicContact CB-CD2 4.41Å; L44-L95 HydrophobicContact CD2-CB 4.42Å; L44-L95 HydrophobicContact CD2-CD2 4.24Å; L44-L95 WeakPolarHBondContact CD2-O 3.4Å; Y49-L95 HydrophobicContact CD2-CD2 3.88Å; Y49-L95 HydrophobicContact CD2-CG 4.33Å; Y49-L95 HydrophobicContact CE2-CD1 4.18Å; Y49-L95 HydrophobicContact CE2-CD2 3.87Å; Y49-L95 HydrophobicContact CE2-CG 3.86Å; D92-L95 HydrophobicContact CB-CB 4.33Å; D92-L95 HydrophobicContact CB-CD1 4.01Å; D92-L95 HydrophobicContact CB-CG 4.21Å; D92-L95 PolarHBondContact O-N 2.98Å; P93-L95 PolarHBondContact O-N 3.14Å; L95-Y97 WeakPolarHBondContact O-CD1 3.32Å; L95-L117 HydrophobicContact CD1-CD1 4.19Å; L95-L117 HydrophobicContact CD1-CD2 3.98Å; L95-L117 HydrophobicContact CD2-CD2 4.18Å; L95-V144 HydrophobicContact CB-CG1 4.32Å; L95-L150 HydrophobicContact CD1-CD1 3.92Å; L95-L150 HydrophobicContact CD1-CD2 3.73Å; L95-L150 HydrophobicContact CD1-CG 4.27Å
96	V	93.4	Very high	93	Very high	54 Å²	54	58.8 Å²	58.8	33%	0.327	31%	0.305	S	S	.	.			trans	-71.5	131	174.3	-179.4	0	0	0	0	109.7	P93 E98	P93-V96 WeakPolarHBondContact O-CG2 3.13Å; V96-E98 HydrophobicContact CG1-CB 4.45Å
97	Y	92.3	Very high	92.8	Very high	1 Å²	1	59.2 Å²	59.2	0%	0.004	31%	0.307	C	S	.	.			trans	-134.8	14.4	178.7	62.7	-90.8	0	0	0	113.4	I40 L44 L95 D99 M100 P102 R105 I107 V144 F145 S146	I40-Y97 HydrophobicContact CD1-CD2 4.08Å; I40-Y97 HydrophobicContact CD1-CE2 4.29Å; I40-Y97 HydrophobicContact CG1-CD2 4.38Å; I40-Y97 HydrophobicContact CG2-CD1 4.05Å; I40-Y97 HydrophobicContact CG2-CD2 3.58Å; I40-Y97 HydrophobicContact CG2-CE2 4.1Å; I40-Y97 HydrophobicContact CG2-CG 3.55Å; L44-Y97 HydrophobicContact CD1-CD1 3.77Å; L44-Y97 HydrophobicContact CD1-CE1 4.26Å; L44-Y97 HydrophobicContact CD1-CG 4.39Å; L44-Y97 HydrophobicContact CD2-CD1 4.31Å; L95-Y97 WeakPolarHBondContact O-CD1 3.32Å; Y97-D99 PolarHBondContact O-N 3.49Å; Y97-M100 WeakPolarHBondContact O-CB 3.38Å; Y97-M100 PolarHBondContact O-N 2.88Å; Y97-M100 VanDerWaalsContact O-N 3.09Å; Y97-P102 HydrophobicContact CD2-CB 3.74Å; Y97-P102 HydrophobicContact CD2-CG 3.79Å; Y97-P102 HydrophobicContact CE2-CB 3.68Å; Y97-P102 HydrophobicContact CE2-CG 3.76Å; Y97-R105 PolarHBondContact OH-O 3.02Å; Y97-I107 HydrophobicContact CE2-CD1 4.22Å; Y97-V144 HydrophobicContact CE1-CG1 4.16Å; Y97-V144 PolarHBondContact OH-O 3.43Å; Y97-F145 VanDerWaalsContact CE1-O 3.3Å; Y97-F145 WeakPolarHBondContact CE1-O 3.49Å; Y97-S146 PolarHBondContact N-O 3Å; Y97-S146 VanDerWaalsContact N-O 3.08Å; Y97-S146 PolarHBondContact OH-N 3.04Å
98	E	91.9	Very high	92.6	Very high	110 Å²	110	63 Å²	63	51%	0.514	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-58.1	-36.2	177.8	-170.5	161.8	-162.8	0	0	112.4	V96 M100 N101 S146	V96-E98 HydrophobicContact CG1-CB 4.45Å; E98-M100 PolarHBondContact O-N 3.41Å; E98-M100 VanDerWaalsContact O-N 3.13Å; E98-N101 PolarHBondContact O-N 3.46Å; E98-N101 VanDerWaalsContact O-N 3.08Å; E98-S146 PolarHBondContact N-O 3.25Å; E98-S146 VanDerWaalsContact N-O 3.12Å
99	D	89.8	Confident	92.3	Very high	161 Å²	161	64.2 Å²	64.2	86%	0.861	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-62.2	-20	177.7	-64.6	-30.7	0	0	0	113.7	Y97 N101	Y97-D99 PolarHBondContact O-N 3.49Å; D99-N101 PolarHBondContact O-N 3.23Å
100	M	87.9	Confident	91.9	Very high	77 Å²	77	66.7 Å²	66.7	38%	0.379	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-82.5	2.3	178.6	-56.7	-176.1	-165.8	0	0	112.8	A35 I40 A43 Y97 E98	A35-M100 HydrophobicContact CB-CB 4.29Å; A35-M100 WeakPolarHBondContact CB-O 3.41Å; I40-M100 HydrophobicContact CG1-SD 4.42Å; A43-M100 HydrophobicContact CB-CE 3.7Å; A43-M100 HydrophobicContact CB-SD 4.04Å; Y97-M100 WeakPolarHBondContact O-CB 3.38Å; Y97-M100 PolarHBondContact O-N 2.88Å; Y97-M100 VanDerWaalsContact O-N 3.09Å; E98-M100 PolarHBondContact O-N 3.41Å; E98-M100 VanDerWaalsContact O-N 3.13Å
101	N	90.3	Very high	91.4	Very high	85 Å²	85	67.8 Å²	67.8	46%	0.455	36%	0.36	S	S	.	.			trans	50.4	64.1	-175.9	-170.1	29.2	0	0	0	112.4	C34 A35 E98 D99	C34-N101 CarbonylContact C-O 3.58Å; C34-N101 VanDerWaalsContact CA-O 3.27Å; C34-N101 WeakPolarHBondContact CA-O 3.49Å; C34-N101 WeakPolarHBondContact CB-O 3.24Å; A35-N101 PolarHBondContact N-O 3.46Å; E98-N101 PolarHBondContact O-N 3.46Å; E98-N101 VanDerWaalsContact O-N 3.08Å; D99-N101 PolarHBondContact O-N 3.23Å
102	P	90.6	Very high	91.1	Very high	20 Å²	20	69.3 Å²	69.3	13%	0.13	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-72.9	141.4	-169.6	32.8	-38.3	0	0	0	112.3	I40 Y97 K104	I40-P102 HydrophobicContact CD1-CB 3.47Å; I40-P102 VanDerWaalsContact CD1-CB 3.47Å; Y97-P102 HydrophobicContact CD2-CB 3.74Å; Y97-P102 HydrophobicContact CD2-CG 3.79Å; Y97-P102 HydrophobicContact CE2-CB 3.68Å; Y97-P102 HydrophobicContact CE2-CG 3.76Å; P102-K104 WeakPolarHBondContact CB-O 3.3Å; P102-K104 PolarHBondContact O-N 2.94Å
103	C	89.8	Confident	90.9	Very high	60 Å²	60	70.4 Å²	70.4	41%	0.405	37%	0.371	S	S	.	.	S	Bend	trans	-63.1	-29.3	175.3	-59.1	0	0	0	0	112.4	C34 A35	C34-C103 HydrophobicContact CB-CB 3.88Å; C34-C103 WeakPolarHBondContact CB-SG 3.4Å; C34-C103 PolarHBondContact O-SG 3.24Å; C34-C103 VanDerWaalsContact O-SG 3.4Å; C34-C103 VanDerWaalsContact SG-CA 3.51Å; C34-C103 WeakPolarHBondContact SG-CB 3.33Å; C34-C103 CovalentContact SG-SG 2.03Å; C34-C103 PolarHBondContact SG-SG 3.2Å; A35-C103 PolarHBondContact O-N 3.07Å; A35-C103 PolarHBondContact O-SG 3.3Å
104	K	90	Very high	90.8	Very high	106 Å²	106	67.1 Å²	67.1	46%	0.461	35%	0.349	S	S	.	.			trans	-125.1	136	175.5	-64.6	178.5	-168	154	0	109.8	D37 P102 N106	D37-K104 IonicContact OD2-NZ 3.16Å; D37-K104 PolarHBondContact OD2-NZ 2.84Å; P102-K104 WeakPolarHBondContact CB-O 3.3Å; P102-K104 PolarHBondContact O-N 2.94Å; K104-N106 PolarHBondContact O-N 3.3Å
105	R	90.8	Very high	90.7	Very high	192 Å²	192	69.4 Å²	69.4	73%	0.725	35%	0.349	S	S	*	.	S	Bend	trans	-82.6	-0.8	178.2	-63.1	-175.4	-178.6	171	-1.9	113.8	Y97 F145 S146	Y97-R105 PolarHBondContact OH-O 3.02Å; R105-F145 CarbonylContact O-C 3.55Å; R105-F145 WeakPolarHBondContact O-CA 3.3Å; R105-S146 PolarHBondContact O-N 3.44Å
106	N	94.1	Very high	90.7	Very high	71 Å²	71	77.1 Å²	77.1	38%	0.38	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	138.2	178.6	58	-5.9	0	0	0	111.3	K104 M143 V144 F145	K104-N106 PolarHBondContact O-N 3.3Å; N106-M143 HydrophobicContact CB-CE 4.37Å; N106-M143 HydrophobicContact CB-CG 4.07Å; N106-M143 HydrophobicContact CB-SD 3.88Å; N106-V144 WeakPolarHBondContact CA-O 3.29Å; N106-F145 HydrophobicContact CB-CD1 3.95Å; N106-F145 HydrophobicContact CB-CE1 4.08Å
107	I	92.8	Very high	90.7	Very high	9 Å²	9	74.9 Å²	74.9	5%	0.046	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	125.9	178.5	-58.2	174.6	0	0	0	108	I40 I41 Y97 F109 M143 V144	I40-I107 HydrophobicContact CB-CD1 4.16Å; I40-I107 HydrophobicContact CD1-CD1 4.35Å; I40-I107 HydrophobicContact CG2-CD1 3.7Å; I41-I107 HydrophobicContact CD1-CG2 4.06Å; I41-I107 HydrophobicContact CG1-CD1 4.43Å; I41-I107 HydrophobicContact CG1-CG2 4.26Å; Y97-I107 HydrophobicContact CE2-CD1 4.22Å; I107-F109 HydrophobicContact CB-CE2 3.98Å; I107-F109 HydrophobicContact CB-CZ 4.15Å; I107-F109 HydrophobicContact CG2-CD2 4.31Å; I107-F109 HydrophobicContact CG2-CE1 3.94Å; I107-F109 HydrophobicContact CG2-CE2 3.67Å; I107-F109 HydrophobicContact CG2-CZ 3.48Å; I107-F109 VanDerWaalsContact CG2-CZ 3.48Å; I107-M143 WeakPolarHBondContact O-CA 2.78Å; I107-V144 PolarHBondContact N-O 3.47Å; I107-V144 PolarHBondContact O-N 3.19Å
108	S	93.1	Very high	90.8	Very high	79 Å²	79	74.9 Å²	74.9	55%	0.552	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.6	138.7	175.6	58.5	0	0	0	0	111.1	L142	S108-L142 CarbonylContact C-O 3.59Å; S108-L142 WeakPolarHBondContact CA-O 3.07Å
109	F	90.9	Very high	90.9	Very high	27 Å²	27	71.5 Å²	71.5	12%	0.118	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	159.3	-177.8	-66.1	-77.2	0	0	0	112.5	I41 I107 V113 L142 V144	I41-F109 HydrophobicContact CB-CE1 4.49Å; I41-F109 HydrophobicContact CD1-CE1 3.85Å; I41-F109 HydrophobicContact CD1-CZ 4.35Å; I41-F109 HydrophobicContact CG1-CE1 3.67Å; I41-F109 HydrophobicContact CG1-CZ 3.82Å; I41-F109 HydrophobicContact CG2-CE1 4.07Å; I107-F109 HydrophobicContact CB-CE2 3.98Å; I107-F109 HydrophobicContact CB-CZ 4.15Å; I107-F109 HydrophobicContact CG2-CD2 4.31Å; I107-F109 HydrophobicContact CG2-CE1 3.94Å; I107-F109 HydrophobicContact CG2-CE2 3.67Å; I107-F109 HydrophobicContact CG2-CZ 3.48Å; I107-F109 VanDerWaalsContact CG2-CZ 3.48Å; F109-V113 HydrophobicContact CB-CB 4Å; F109-V113 HydrophobicContact CB-CG1 4.2Å; F109-V113 HydrophobicContact CB-CG2 4.39Å; F109-V113 HydrophobicContact CD1-CB 4.13Å; F109-V113 HydrophobicContact CD1-CG1 3.85Å; F109-V113 HydrophobicContact CD1-CG2 3.92Å; F109-V113 HydrophobicContact CE1-CG1 4.32Å; F109-V113 HydrophobicContact CG-CB 4.26Å; F109-V113 HydrophobicContact CG-CG1 3.99Å; F109-L142 HydrophobicContact CB-CB 4.23Å; F109-L142 HydrophobicContact CB-CD2 3.8Å; F109-L142 HydrophobicContact CB-CG 4.08Å; F109-L142 HydrophobicContact CD2-CD2 4.21Å; F109-L142 HydrophobicContact CD2-CG 4.29Å; F109-L142 HydrophobicContact CG-CD2 4.33Å; F109-L142 PolarHBondContact N-O 2.83Å; F109-V144 HydrophobicContact CD2-CB 4.48Å; F109-V144 HydrophobicContact CD2-CG2 3.8Å; F109-V144 HydrophobicContact CE2-CB 3.95Å; F109-V144 HydrophobicContact CE2-CG2 3.59Å
110	D	87.5	Confident	91.1	Very high	80 Å²	80	63.9 Å²	63.9	43%	0.428	31%	0.308	S	S	.	.			trans	-86.7	167.3	173.3	-168	19.2	0	0	0	111.5	K112 V113 L114	D110-K112 PolarHBondContact O-N 2.99Å; D110-K112 VanDerWaalsContact O-N 3.1Å; D110-V113 PolarHBondContact O-N 2.9Å; D110-V113 VanDerWaalsContact O-N 3.08Å; D110-L114 PolarHBondContact O-N 2.96Å
111	D	88.1	Confident	91.4	Very high	27 Å²	27	63.2 Å²	63.2	14%	0.144	31%	0.306	C	S	.	.	H	α-helix	trans	-56.8	-29.6	-176.8	84.6	-35	0	0	0	113.6	V113 L114 Q115 K138 V140	D111-V113 VanDerWaalsContact C-N 3.3Å; D111-V113 PolarHBondContact O-N 3.32Å; D111-L114 WeakPolarHBondContact O-CB 3.37Å; D111-L114 PolarHBondContact O-N 2.73Å; D111-Q115 PolarHBondContact O-N 3.45Å; D111-K138 WeakPolarHBondContact OD2-CD 3.46Å; D111-V140 HydrophobicContact CB-CB 4.4Å
112	K	88.9	Confident	91.7	Very high	143 Å²	143	60.6 Å²	60.6	62%	0.622	29%	0.293	S	S	*	.	H	α-helix	trans	-63.4	-35.4	179.1	-62.8	178.9	-173.5	163.8	0	112.8	D110	D110-K112 PolarHBondContact O-N 2.99Å; D110-K112 VanDerWaalsContact O-N 3.1Å
113	V	90.2	Very high	91.9	Very high	26 Å²	26	61.6 Å²	61.6	16%	0.158	30%	0.3	C	S	.	.	H	α-helix	trans	-76	-39.2	177.7	176.8	0	0	0	0	109.6	L45 F109 D110 D111 Q115 R116 L117 L142	L45-V113 HydrophobicContact CD1-CG1 3.84Å; L45-V113 HydrophobicContact CD1-CG2 4.24Å; L45-V113 HydrophobicContact CD2-CG1 3.93Å; F109-V113 HydrophobicContact CB-CB 4Å; F109-V113 HydrophobicContact CB-CG1 4.2Å; F109-V113 HydrophobicContact CB-CG2 4.39Å; F109-V113 HydrophobicContact CD1-CB 4.13Å; F109-V113 HydrophobicContact CD1-CG1 3.85Å; F109-V113 HydrophobicContact CD1-CG2 3.92Å; F109-V113 HydrophobicContact CE1-CG1 4.32Å; F109-V113 HydrophobicContact CG-CB 4.26Å; F109-V113 HydrophobicContact CG-CG1 3.99Å; D110-V113 PolarHBondContact O-N 2.9Å; D110-V113 VanDerWaalsContact O-N 3.08Å; D111-V113 VanDerWaalsContact C-N 3.3Å; D111-V113 PolarHBondContact O-N 3.32Å; V113-Q115 PolarHBondContact O-N 2.95Å; V113-R116 WeakPolarHBondContact O-CA 3.48Å; V113-R116 WeakPolarHBondContact O-CB 3.25Å; V113-R116 PolarHBondContact O-N 3.16Å; V113-L117 PolarHBondContact O-N 2.62Å; V113-L142 HydrophobicContact CG1-CD2 4.44Å
114	L	91.1	Very high	92.3	Very high	10 Å²	10	59 Å²	59	5%	0.052	28%	0.282	C	S	.	.	H	α-helix	trans	-54.8	-40.4	176.6	-173.5	70.9	0	0	0	112.4	D110 D111 R116 L117 L119 V140 L142 T152 Y154	D110-L114 PolarHBondContact O-N 2.96Å; D111-L114 WeakPolarHBondContact O-CB 3.37Å; D111-L114 PolarHBondContact O-N 2.73Å; L114-R116 PolarHBondContact O-N 2.78Å; L114-R116 VanDerWaalsContact O-N 3.15Å; L114-L117 PolarHBondContact O-N 3.35Å; L114-L117 VanDerWaalsContact O-N 3.08Å; L114-L119 HydrophobicContact CD1-CD2 3.47Å; L114-L119 VanDerWaalsContact CD1-CD2 3.47Å; L114-L119 HydrophobicContact CG-CD1 4.34Å; L114-L119 HydrophobicContact CG-CD2 3.9Å; L114-V140 HydrophobicContact CD2-CG1 3.43Å; L114-V140 VanDerWaalsContact CD2-CG1 3.43Å; L114-L142 HydrophobicContact CB-CD2 4.01Å; L114-L142 HydrophobicContact CD1-CB 4.23Å; L114-L142 HydrophobicContact CD1-CD1 3.93Å; L114-L142 HydrophobicContact CD1-CD2 3.8Å; L114-L142 HydrophobicContact CD1-CG 4.19Å; L114-T152 HydrophobicContact CD1-CG2 3.58Å; L114-Y154 HydrophobicContact CD2-CE1 4.01Å
115	Q	89.9	Confident	92.6	Very high	116 Å²	116	57.3 Å²	57.3	54%	0.542	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-13.9	177.3	-67.2	174.3	21.1	0	0	114.7	K51 D111 V113	K51-Q115 PolarHBondContact NZ-O 3.38Å; D111-Q115 PolarHBondContact O-N 3.45Å; V113-Q115 PolarHBondContact O-N 2.95Å
116	R	91.4	Very high	92.8	Very high	165 Å²	165	50.2 Å²	50.2	62%	0.623	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-12.7	175.6	-60.3	-177.8	179	-168.8	-2.1	112.8	K51 V113 L114	K51-R116 WeakPolarHBondContact CB-O 2.9Å; V113-R116 WeakPolarHBondContact O-CA 3.48Å; V113-R116 WeakPolarHBondContact O-CB 3.25Å; V113-R116 PolarHBondContact O-N 3.16Å; L114-R116 PolarHBondContact O-N 2.78Å; L114-R116 VanDerWaalsContact O-N 3.15Å
117	L	93	Very high	92.9	Very high	7 Å²	7	48.6 Å²	48.6	4%	0.037	25%	0.248	C	C	.	.	S	Bend	trans	-93.8	160.5	178.7	-58.7	-178	0	0	0	111	L45 Y49 L95 V113 L114 L142 L150	L45-L117 HydrophobicContact CD2-CD2 4.06Å; Y49-L117 HydrophobicContact CD1-CD2 4.25Å; Y49-L117 HydrophobicContact CE1-CB 4.47Å; Y49-L117 HydrophobicContact CE1-CD2 3.9Å; L95-L117 HydrophobicContact CD1-CD1 4.19Å; L95-L117 HydrophobicContact CD1-CD2 3.98Å; L95-L117 HydrophobicContact CD2-CD2 4.18Å; V113-L117 PolarHBondContact O-N 2.62Å; L114-L117 PolarHBondContact O-N 3.35Å; L114-L117 VanDerWaalsContact O-N 3.08Å; L117-L142 HydrophobicContact CD1-CD2 3.73Å; L117-L150 HydrophobicContact CD1-CD2 3.84Å
118	W	94.9	Very high	93	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.008	27%	0.268	C	S	.	.			trans	-68.5	141.5	167.5	178.8	92.8	0	0	0	109.6	Y49 K51 Y53 I54 P55 T59 W90 P120 Y185 V190	Y49-W118 WeakPolarHBondContact OH-CB 3.44Å; Y49-W118 PolarHBondContact OH-N 3.35Å; Y49-W118 VanDerWaalsContact OH-N 3.08Å; K51-W118 VanDerWaalsContact O-CD1 3.25Å; Y53-W118 VanDerWaalsContact O-CD1 3.27Å; I54-W118 HydrophobicContact CG1-CZ2 4.31Å; I54-W118 HydrophobicContact CG2-CH2 4.49Å; I54-W118 HydrophobicContact CG2-CZ2 3.94Å; P55-W118 VanDerWaalsContact CD-CE3 3.45Å; P55-W118 HydrophobicContact CG-CB 4.42Å; P55-W118 HydrophobicContact CG-CD2 3.91Å; P55-W118 HydrophobicContact CG-CE3 3.6Å; P55-W118 HydrophobicContact CG-CG 4.28Å; P55-W118 HydrophobicContact CG-CZ3 4.13Å; T59-W118 HydrophobicContact CG2-CH2 3.99Å; T59-W118 HydrophobicContact CG2-CZ3 3.94Å; W90-W118 AromaticContact NE1-CE3 3.95Å; W118-P120 HydrophobicContact CH2-CB 3.94Å; W118-P120 HydrophobicContact CZ3-CB 4.18Å; W118-Y185 HydrophobicContact CZ2-CD2 4.13Å; W118-Y185 AromaticContact CZ2-CE2 3.69Å; W118-Y185 HydrophobicContact CZ2-CE2 3.69Å; W118-Y185 AromaticContact NE1-CZ 3.62Å; W118-Y185 PolarHBondContact NE1-OH 3.01Å; W118-Y185 VanDerWaalsContact NE1-OH 3.12Å; W118-V190 HydrophobicContact CH2-CG2 3.87Å; W118-V190 HydrophobicContact CZ2-CG2 3.99Å
119	L	94.6	Very high	93.1	Very high	39 Å²	39	52.9 Å²	52.9	20%	0.204	27%	0.265	C	S	.	.			trans	-128.6	146.3	178.3	-60.9	174.4	0	0	0	109.7	W90 L114 N121	W90-L119 HydrophobicContact CH2-CD2 3.98Å; W90-L119 HydrophobicContact CZ2-CD2 4.22Å; L114-L119 HydrophobicContact CD1-CD2 3.47Å; L114-L119 VanDerWaalsContact CD1-CD2 3.47Å; L114-L119 HydrophobicContact CG-CD1 4.34Å; L114-L119 HydrophobicContact CG-CD2 3.9Å; L119-N121 PolarHBondContact O-N 3.02Å
120	P	94.4	Very high	93.4	Very high	1 Å²	1	54 Å²	54	1%	0.006	28%	0.279	C	S	.	.			trans	-69.8	0.2	177.5	30.3	-36	0	0	0	113.9	V61 W118 T122 Y185	V61-P120 HydrophobicContact CG1-CG 4.38Å; V61-P120 HydrophobicContact CG2-CB 3.84Å; V61-P120 HydrophobicContact CG2-CG 4.31Å; W118-P120 HydrophobicContact CH2-CB 3.94Å; W118-P120 HydrophobicContact CZ3-CB 4.18Å; P120-T122 HydrophobicContact CB-CG2 4.02Å; P120-T122 HydrophobicContact CG-CG2 4.03Å; P120-T122 PolarHBondContact O-N 3.15Å; P120-Y185 WeakPolarHBondContact O-CD2 3.33Å
121	N	93.8	Very high	93.8	Very high	62 Å²	62	52.6 Å²	52.6	33%	0.332	28%	0.279	S	S	.	.			trans	49.5	52.3	176	-65.3	-39.2	0	0	0	113.2	L119 F183 N184 Y185	L119-N121 PolarHBondContact O-N 3.02Å; N121-F183 WeakPolarHBondContact O-CB 3.46Å; N121-F183 PolarHBondContact O-N 3.26Å; N121-N184 HydrophobicContact CB-CB 4.41Å; N121-N184 PolarHBondContact ND2-ND2 3.45Å; N121-Y185 HydrophobicContact CB-CE2 4.14Å; N121-Y185 WeakPolarHBondContact ND2-CE2 3.4Å; N121-Y185 PolarHBondContact ND2-OH 3.45Å
122	T	95.5	Very high	94.2	Very high	31 Å²	31	54.3 Å²	54.3	19%	0.19	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	151.4	-176.7	52.4	0	0	0	0	112.3	E88 P120 F180 E181 M192	E88-T122 VanDerWaalsContact OE1-CB 3.3Å; E88-T122 WeakPolarHBondContact OE1-CB 3.37Å; E88-T122 WeakPolarHBondContact OE1-CG2 3.36Å; E88-T122 PolarHBondContact OE1-OG1 3.44Å; P120-T122 HydrophobicContact CB-CG2 4.02Å; P120-T122 HydrophobicContact CG-CG2 4.03Å; P120-T122 PolarHBondContact O-N 3.15Å; T122-F180 HydrophobicContact CG2-CE1 4.05Å; T122-F180 HydrophobicContact CG2-CZ 4.28Å; T122-F180 WeakPolarHBondContact OG1-CZ 3.31Å; T122-E181 CarbonylContact C-O 3.56Å; T122-E181 WeakPolarHBondContact CA-O 3.41Å; T122-M192 HydrophobicContact CG2-CE 3.61Å; T122-M192 HydrophobicContact CG2-SD 3.92Å
123	C	96	Very high	94.5	Very high	40 Å²	40	49.7 Å²	49.7	27%	0.27	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	166.9	177.4	72.3	0	0	0	0	112.8	I125 F180 E181	C123-I125 PolarHBondContact O-N 3.05Å; C123-F180 WeakPolarHBondContact O-CA 3.3Å; C123-F180 WeakPolarHBondContact O-CD2 3.45Å; C123-E181 PolarHBondContact N-O 3.44Å; C123-E181 PolarHBondContact O-N 3.06Å
124	F	97.3	Very high	94.7	Very high	7 Å²	7	54.7 Å²	54.7	3%	0.031	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	100	168.2	-71.1	-78.7	0	0	0	110.3	M65 L84 I86 N126 S127 M156 L158 L178 T179 F180	M65-F124 HydrophobicContact CE-CE1 3.85Å; M65-F124 HydrophobicContact CE-CZ 3.97Å; L84-F124 HydrophobicContact CD1-CE2 4.34Å; L84-F124 HydrophobicContact CD1-CZ 4.27Å; L84-F124 HydrophobicContact CD2-CZ 4.15Å; I86-F124 HydrophobicContact CD1-CE2 4.28Å; I86-F124 HydrophobicContact CD1-CZ 3.66Å; I86-F124 HydrophobicContact CG1-CE2 3.97Å; I86-F124 HydrophobicContact CG1-CZ 3.88Å; F124-N126 VanDerWaalsContact C-N 3.27Å; F124-N126 PolarHBondContact O-N 2.98Å; F124-S127 WeakPolarHBondContact O-CB 3.44Å; F124-S127 PolarHBondContact O-N 3.41Å; F124-S127 PolarHBondContact O-OG 3.33Å; F124-M156 HydrophobicContact CE2-SD 4.42Å; F124-L158 HydrophobicContact CB-CD1 4.02Å; F124-L158 HydrophobicContact CB-CD2 4.41Å; F124-L158 HydrophobicContact CD1-CD2 3.89Å; F124-L158 HydrophobicContact CD2-CD1 3.74Å; F124-L158 HydrophobicContact CD2-CD2 3.75Å; F124-L158 HydrophobicContact CD2-CG 4.39Å; F124-L158 HydrophobicContact CE1-CD2 4Å; F124-L158 HydrophobicContact CE2-CD1 4.44Å; F124-L158 HydrophobicContact CE2-CD2 3.86Å; F124-L158 HydrophobicContact CG-CD1 3.98Å; F124-L158 HydrophobicContact CG-CD2 3.75Å; F124-L158 HydrophobicContact CZ-CD2 3.97Å; F124-L178 HydrophobicContact CD1-CB 4.15Å; F124-L178 HydrophobicContact CE1-CB 4.09Å; F124-L178 HydrophobicContact CE1-CD1 4.29Å; F124-T179 CarbonylContact C-O 3.59Å; F124-T179 VanDerWaalsContact CA-O 3.28Å; F124-T179 WeakPolarHBondContact CA-O 3.47Å; F124-F180 HydrophobicContact CD1-CB 4.11Å; F124-F180 AromaticContact CD1-CD2 3.82Å; F124-F180 HydrophobicContact CD1-CD2 3.82Å; F124-F180 HydrophobicContact CD1-CG 4.47Å; F124-F180 AromaticContact CD2-CD2 3.91Å; F124-F180 HydrophobicContact CD2-CD2 3.91Å; F124-F180 HydrophobicContact CD2-CE2 4.19Å; F124-F180 HydrophobicContact CE1-CB 3.96Å; F124-F180 AromaticContact CE1-CD2 3.76Å; F124-F180 HydrophobicContact CE1-CD2 3.76Å; F124-F180 HydrophobicContact CE1-CG 4.24Å; F124-F180 AromaticContact CE2-CD2 3.83Å; F124-F180 HydrophobicContact CE2-CD2 3.83Å; F124-F180 HydrophobicContact CE2-CE2 4.03Å; F124-F180 AromaticContact CG-CD2 3.91Å; F124-F180 HydrophobicContact CG-CD2 3.91Å; F124-F180 AromaticContact CZ-CD2 3.77Å; F124-F180 HydrophobicContact CZ-CD2 3.77Å; F124-F180 HydrophobicContact CZ-CE2 4.31Å; F124-F180 HydrophobicContact CZ-CG 4.48Å
125	I	95.6	Very high	94.6	Very high	69 Å²	69	58.7 Å²	58.7	35%	0.354	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-31.8	-173.1	54.3	149.7	0	0	0	113.6	C123 T179 E181	C123-I125 PolarHBondContact O-N 3.05Å; I125-T179 HydrophobicContact CD1-CG2 3.78Å; I125-T179 HydrophobicContact CG1-CG2 3.83Å; I125-T179 PolarHBondContact N-O 2.94Å; I125-E181 WeakPolarHBondContact CD1-OE2 3.11Å; I125-E181 HydrophobicContact CG2-CB 4.05Å; I125-E181 WeakPolarHBondContact CG2-OE2 3.22Å
126	N	95.8	Very high	94.6	Very high	43 Å²	43	59 Å²	59	23%	0.23	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-0.4	-178	73.3	-28.5	0	0	0	112.9	F124 P161 Y177 T179	F124-N126 VanDerWaalsContact C-N 3.27Å; F124-N126 PolarHBondContact O-N 2.98Å; N126-P161 HydrophobicContact CB-CG 4.21Å; N126-P161 WeakPolarHBondContact O-CD 3.32Å; N126-P161 WeakPolarHBondContact O-CG 3.12Å; N126-Y177 PolarHBondContact ND2-O 3.47Å; N126-T179 PolarHBondContact OD1-N 3.16Å; N126-T179 VanDerWaalsContact OD1-N 3.11Å
127	S	96.1	Very high	94.6	Very high	38 Å²	38	57.3 Å²	57.3	27%	0.266	33%	0.328	S	S	.	.			trans	-66	139.5	-176	66.4	0	0	0	0	112.9	F124 L158	F124-S127 WeakPolarHBondContact O-CB 3.44Å; F124-S127 PolarHBondContact O-N 3.41Å; F124-S127 PolarHBondContact O-OG 3.33Å; S127-L158 VanDerWaalsContact CB-CD1 3.47Å
128	K	95.3	Very high	94.6	Very high	106 Å²	106	61.1 Å²	61.1	46%	0.461	34%	0.344	S	S	.	.	S	Bend	trans	-79.9	-37.9	170.5	-72.6	178.3	172.3	172	0	111.3	T77 Q78 D79 T159	T77-K128 PolarHBondContact O-NZ 3.39Å; Q78-K128 PolarHBondContact O-NZ 3.05Å; Q78-K128 VanDerWaalsContact O-NZ 3.07Å; D79-K128 HydrophobicContact CB-CD 3.97Å; D79-K128 VanDerWaalsContact CB-NZ 3.35Å; D79-K128 IonicContact OD2-NZ 3.33Å; D79-K128 PolarHBondContact OD2-NZ 3.38Å; K128-T159 HydrophobicContact CB-CG2 4.28Å; K128-T159 HydrophobicContact CD-CG2 4.48Å; K128-T159 PolarHBondContact N-O 2.61Å
129	S	95.8	Very high	94.5	Very high	71 Å²	71	62.4 Å²	62.4	50%	0.497	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	139.6	176.4	-171.5	0	0	0	0	108.8	T159	S129-T159 PolarHBondContact N-O 3.28Å; S129-T159 PolarHBondContact O-N 3.35Å
130	A	96.3	Very high	94.5	Very high	50 Å²	50	61.5 Å²	61.5	41%	0.413	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	129.7	176.5	0	0	0	0	0	108.5	L158	A130-L158 HydrophobicContact CB-CD1 3.51Å
131	A	96.1	Very high	94.4	Very high	52 Å²	52	64.6 Å²	64.6	43%	0.43	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	135.4	177.8	0	0	0	0	0	110.4	M156 K157	A131-M156 CarbonylContact O-C 3.55Å; A131-M156 WeakPolarHBondContact O-CA 3.48Å; A131-K157 PolarHBondContact N-O 3.42Å; A131-K157 PolarHBondContact O-N 3.37Å
132	I	95.9	Very high	94.5	Very high	63 Å²	63	61.7 Å²	61.7	32%	0.323	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	136.9	169.5	-63.4	167.7	0	0	0	107.7	V140 Y154 M156	I132-V140 HydrophobicContact CD1-CG2 4.38Å; I132-V140 HydrophobicContact CG2-CG2 3.92Å; I132-Y154 HydrophobicContact CD1-CD1 4.1Å; I132-M156 HydrophobicContact CG1-CE 4.1Å; I132-M156 HydrophobicContact CG1-CG 4.17Å
133	H	95.2	Very high	94.5	Very high	46 Å²	46	61.4 Å²	61.4	21%	0.213	34%	0.342	C	S	.	.			trans	-67.5	140.2	178.6	-81.7	-88.6	0	0	0	111.5	D83 N139 R155 K157	D83-H133 IonicContact OD1-CD2 2.8Å; D83-H133 IonicContact OD1-CE1 2.78Å; D83-H133 PolarHBondContact OD1-CE1 3.12Å; D83-H133 IonicContact OD1-NE2 3.99Å; D83-H133 PolarHBondContact OD1-NE2 3.22Å; H133-N139 HydrophobicContact CB-CB 4.27Å; H133-N139 WeakPolarHBondContact CB-ND2 3.11Å; H133-N139 WeakPolarHBondContact O-CB 3.42Å; H133-N139 PolarHBondContact O-N 3.28Å; H133-R155 HydrophobicContact CB-CG 4.28Å; H133-R155 PolarHBondContact N-O 3.47Å; H133-K157 PolarHBondContact CD2-N 2.87Å
134	E	94.3	Very high	94.5	Very high	131 Å²	131	59.7 Å²	59.7	61%	0.612	33%	0.33	S	S	*	.	B	Isolated β-bridge	trans	-127.6	107.3	177.3	-58.9	-170	164.6	0	0	110.1	F137 K138	E134-F137 CarbonylContact C-O 3.57Å; E134-F137 WeakPolarHBondContact CA-O 3.43Å; E134-K138 HydrophobicContact CG-CG 3.95Å; E134-K138 WeakPolarHBondContact OE1-CE 3.39Å; E134-K138 WeakPolarHBondContact OE1-CG 3.45Å
135	S	89	Confident	94.4	Very high	93 Å²	93	62.3 Å²	62.3	65%	0.65	34%	0.342	S	S	*	.	S	Bend	trans	-172.7	110.3	170.9	-166.5	0	0	0	0	111.5	F137	S135-F137 VanDerWaalsContact C-N 3.34Å; S135-F137 PolarHBondContact N-O 3Å
136	P	91.2	Very high	94.4	Very high	122 Å²	122	59.6 Å²	59.6	79%	0.792	33%	0.329	S	S	*	.	S	Bend	cis	-81.2	-5.8	-10.7	31.9	-30.8	0	0	0	113.9
137	F	91.4	Very high	94.3	Very high	131 Å²	131	60.6 Å²	60.6	58%	0.575	33%	0.334	S	S	*	.	S	Bend	trans	-128.9	175.5	175.8	47.2	-96.5	0	0	0	109.5	E134 S135 N139	E134-F137 CarbonylContact C-O 3.57Å; E134-F137 WeakPolarHBondContact CA-O 3.43Å; S135-F137 VanDerWaalsContact C-N 3.34Å; S135-F137 PolarHBondContact N-O 3Å; F137-N139 PolarHBondContact O-N 3.02Å; F137-N139 PolarHBondContact O-OD1 3.22Å
138	K	92.4	Very high	94.1	Very high	87 Å²	87	58.8 Å²	58.8	38%	0.378	32%	0.322	S	S	.	.	B	Isolated β-bridge	trans	-63.3	123.7	176.2	-74.1	-177.1	175.1	-177.1	0	110.2	D111 E134 V140	D111-K138 WeakPolarHBondContact OD2-CD 3.46Å; E134-K138 HydrophobicContact CG-CG 3.95Å; E134-K138 WeakPolarHBondContact OE1-CE 3.39Å; E134-K138 WeakPolarHBondContact OE1-CG 3.45Å; K138-V140 HydrophobicContact CB-CG2 4.32Å; K138-V140 PolarHBondContact O-N 2.94Å
139	N	93.3	Very high	94.2	Very high	29 Å²	29	54.8 Å²	54.8	16%	0.155	31%	0.306	C	S	.	.			trans	-79.8	69.7	-178.6	-67.4	-20.9	0	0	0	110.6	H133 F137 R155	H133-N139 HydrophobicContact CB-CB 4.27Å; H133-N139 WeakPolarHBondContact CB-ND2 3.11Å; H133-N139 WeakPolarHBondContact O-CB 3.42Å; H133-N139 PolarHBondContact O-N 3.28Å; F137-N139 PolarHBondContact O-N 3.02Å; F137-N139 PolarHBondContact O-OD1 3.22Å; N139-R155 HydrophobicContact CB-CB 3.8Å; N139-R155 PolarHBondContact O-N 3.48Å; N139-R155 VanDerWaalsContact O-N 3.12Å
140	V	94.2	Very high	94.2	Very high	19 Å²	19	51.4 Å²	51.4	12%	0.115	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	128.8	175.1	-175.3	0	0	0	0	107.5	D111 L114 I132 K138 N153 Y154	D111-V140 HydrophobicContact CB-CB 4.4Å; L114-V140 HydrophobicContact CD2-CG1 3.43Å; L114-V140 VanDerWaalsContact CD2-CG1 3.43Å; I132-V140 HydrophobicContact CD1-CG2 4.38Å; I132-V140 HydrophobicContact CG2-CG2 3.92Å; K138-V140 HydrophobicContact CB-CG2 4.32Å; K138-V140 PolarHBondContact O-N 2.94Å; V140-N153 WeakPolarHBondContact CA-O 3.37Å; V140-Y154 HydrophobicContact CB-CD1 4.38Å; V140-Y154 HydrophobicContact CG1-CD1 3.75Å; V140-Y154 HydrophobicContact CG1-CE1 3.59Å; V140-Y154 HydrophobicContact CG2-CD1 3.88Å; V140-Y154 HydrophobicContact CG2-CE1 4.27Å
141	F	92.8	Very high	94.2	Very high	67 Å²	67	51.8 Å²	51.8	29%	0.294	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	133.9	177.2	166.5	-88.4	0	0	0	108.9	M143 W151 T152 N153	F141-M143 HydrophobicContact CE1-CB 3.72Å; F141-M143 HydrophobicContact CE2-CE 4.33Å; F141-M143 HydrophobicContact CZ-CB 3.73Å; F141-M143 HydrophobicContact CZ-CE 3.68Å; F141-M143 HydrophobicContact CZ-SD 4.22Å; F141-W151 HydrophobicContact CD1-CD2 4.5Å; F141-W151 AromaticContact CE1-CD2 3.85Å; F141-W151 HydrophobicContact CE1-CD2 3.85Å; F141-W151 AromaticContact CE1-CE3 3.65Å; F141-W151 HydrophobicContact CE1-CE3 3.65Å; F141-W151 HydrophobicContact CE1-CH2 4.11Å; F141-W151 HydrophobicContact CE1-CZ2 4.3Å; F141-W151 AromaticContact CE1-CZ3 3.78Å; F141-W151 HydrophobicContact CE1-CZ3 3.78Å; F141-W151 HydrophobicContact CZ-CE3 4.31Å; F141-W151 HydrophobicContact CZ-CZ3 4.18Å; F141-T152 CarbonylContact O-C 3.6Å; F141-T152 VanDerWaalsContact O-CA 3.3Å; F141-T152 WeakPolarHBondContact O-CA 3.1Å; F141-N153 HydrophobicContact CB-CB 4.1Å; F141-N153 HydrophobicContact CD1-CB 4Å; F141-N153 PolarHBondContact N-O 3.21Å; F141-N153 PolarHBondContact O-N 2.88Å
142	L	95.3	Very high	94.2	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	130.8	174.7	169	63	0	0	0	108.5	S108 F109 V113 L114 L117 V144 L150 W151 T152	S108-L142 CarbonylContact C-O 3.59Å; S108-L142 WeakPolarHBondContact CA-O 3.07Å; F109-L142 HydrophobicContact CB-CB 4.23Å; F109-L142 HydrophobicContact CB-CD2 3.8Å; F109-L142 HydrophobicContact CB-CG 4.08Å; F109-L142 HydrophobicContact CD2-CD2 4.21Å; F109-L142 HydrophobicContact CD2-CG 4.29Å; F109-L142 HydrophobicContact CG-CD2 4.33Å; F109-L142 PolarHBondContact N-O 2.83Å; V113-L142 HydrophobicContact CG1-CD2 4.44Å; L114-L142 HydrophobicContact CB-CD2 4.01Å; L114-L142 HydrophobicContact CD1-CB 4.23Å; L114-L142 HydrophobicContact CD1-CD1 3.93Å; L114-L142 HydrophobicContact CD1-CD2 3.8Å; L114-L142 HydrophobicContact CD1-CG 4.19Å; L117-L142 HydrophobicContact CD1-CD2 3.73Å; L142-V144 HydrophobicContact CD1-CG2 4.32Å; L142-V144 HydrophobicContact CG-CG2 4.48Å; L142-L150 HydrophobicContact CD1-CD2 4.21Å; L142-W151 CarbonylContact C-O 3.47Å; L142-W151 WeakPolarHBondContact CA-O 3.38Å; L142-T152 HydrophobicContact CD1-CG2 3.96Å
143	M	95.6	Very high	94.2	Very high	25 Å²	25	47.2 Å²	47.2	12%	0.123	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	131.3	171.4	-180	168.6	-81.5	0	0	110.1	N106 I107 F141 F145 L150 W151	N106-M143 HydrophobicContact CB-CE 4.37Å; N106-M143 HydrophobicContact CB-CG 4.07Å; N106-M143 HydrophobicContact CB-SD 3.88Å; I107-M143 WeakPolarHBondContact O-CA 2.78Å; F141-M143 HydrophobicContact CE1-CB 3.72Å; F141-M143 HydrophobicContact CE2-CE 4.33Å; F141-M143 HydrophobicContact CZ-CB 3.73Å; F141-M143 HydrophobicContact CZ-CE 3.68Å; F141-M143 HydrophobicContact CZ-SD 4.22Å; M143-F145 HydrophobicContact CG-CE2 4.08Å; M143-F145 HydrophobicContact CG-CZ 4.11Å; M143-F145 HydrophobicContact SD-CE1 4.09Å; M143-F145 HydrophobicContact SD-CE2 4.27Å; M143-F145 HydrophobicContact SD-CZ 3.72Å; M143-L150 WeakPolarHBondContact O-CA 3.3Å; M143-W151 HydrophobicContact CB-CB 4.45Å; M143-W151 HydrophobicContact CB-CE3 4.34Å; M143-W151 PolarHBondContact N-O 3.48Å; M143-W151 PolarHBondContact O-N 2.91Å; M143-W151 HydrophobicContact SD-CE3 4.14Å; M143-W151 HydrophobicContact SD-CZ3 4.39Å
144	V	95.3	Very high	94.2	Very high	3 Å²	3	46.6 Å²	46.6	2%	0.018	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	123.2	175.3	-172.6	0	0	0	0	108.8	L95 Y97 N106 I107 F109 L142 L150	L95-V144 HydrophobicContact CB-CG1 4.32Å; Y97-V144 HydrophobicContact CE1-CG1 4.16Å; Y97-V144 PolarHBondContact OH-O 3.43Å; N106-V144 WeakPolarHBondContact CA-O 3.29Å; I107-V144 PolarHBondContact N-O 3.47Å; I107-V144 PolarHBondContact O-N 3.19Å; F109-V144 HydrophobicContact CD2-CB 4.48Å; F109-V144 HydrophobicContact CD2-CG2 3.8Å; F109-V144 HydrophobicContact CE2-CB 3.95Å; F109-V144 HydrophobicContact CE2-CG2 3.59Å; L142-V144 HydrophobicContact CD1-CG2 4.32Å; L142-V144 HydrophobicContact CG-CG2 4.48Å; V144-L150 HydrophobicContact CG2-CD2 4.21Å; V144-L150 HydrophobicContact CG2-CG 4.23Å
145	F	96.1	Very high	94.3	Very high	63 Å²	63	43.5 Å²	43.5	28%	0.276	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	156.1	178.3	-66.2	-88.1	0	0	0	111.1	Y97 R105 N106 M143 N147 G148 T149 W151	Y97-F145 VanDerWaalsContact CE1-O 3.3Å; Y97-F145 WeakPolarHBondContact CE1-O 3.49Å; R105-F145 CarbonylContact O-C 3.55Å; R105-F145 WeakPolarHBondContact O-CA 3.3Å; N106-F145 HydrophobicContact CB-CD1 3.95Å; N106-F145 HydrophobicContact CB-CE1 4.08Å; M143-F145 HydrophobicContact CG-CE2 4.08Å; M143-F145 HydrophobicContact CG-CZ 4.11Å; M143-F145 HydrophobicContact SD-CE1 4.09Å; M143-F145 HydrophobicContact SD-CE2 4.27Å; M143-F145 HydrophobicContact SD-CZ 3.72Å; F145-N147 WeakPolarHBondContact CB-OD1 3.49Å; F145-N147 PolarHBondContact O-N 3.47Å; F145-N147 VanDerWaalsContact O-N 3.15Å; F145-G148 PolarHBondContact O-N 2.91Å; F145-T149 HydrophobicContact CD2-CG2 4.2Å; F145-T149 WeakPolarHBondContact CD2-O 3.47Å; F145-T149 PolarHBondContact N-O 3.01Å; F145-W151 HydrophobicContact CE2-CB 4.03Å; F145-W151 HydrophobicContact CZ-CE3 4.39Å
146	S	94.3	Very high	94.6	Very high	11 Å²	11	40.5 Å²	40.5	8%	0.077	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-28	-176.8	57.6	0	0	0	0	114.2	Y97 E98 R105 G148	Y97-S146 PolarHBondContact N-O 3Å; Y97-S146 VanDerWaalsContact N-O 3.08Å; Y97-S146 PolarHBondContact OH-N 3.04Å; E98-S146 PolarHBondContact N-O 3.25Å; E98-S146 VanDerWaalsContact N-O 3.12Å; R105-S146 PolarHBondContact O-N 3.44Å; S146-G148 PolarHBondContact O-N 3.09Å
147	N	94.3	Very high	94.9	Very high	65 Å²	65	38.3 Å²	38.3	35%	0.348	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	7.5	176.6	71.8	-27.7	0	0	0	113.8	F145 T149	F145-N147 WeakPolarHBondContact CB-OD1 3.49Å; F145-N147 PolarHBondContact O-N 3.47Å; F145-N147 VanDerWaalsContact O-N 3.15Å; N147-T149 VanDerWaalsContact C-N 3.3Å; N147-T149 PolarHBondContact ND2-OG1 3.46Å; N147-T149 PolarHBondContact O-N 2.96Å; N147-T149 WeakPolarHBondContact OD1-CB 3.44Å; N147-T149 PolarHBondContact OD1-N 3.22Å; N147-T149 VanDerWaalsContact OD1-N 3.15Å; N147-T149 PolarHBondContact OD1-OG1 3.39Å
148	G	92.9	Very high	95.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	79.2	6.8	-178.3	0	0	0	0	0	114.6	D92 F145 S146 L150	D92-G148 PolarHBondContact N-O 3.33Å; F145-G148 PolarHBondContact O-N 2.91Å; S146-G148 PolarHBondContact O-N 3.09Å; G148-L150 VanDerWaalsContact O-CD1 3.23Å; G148-L150 WeakPolarHBondContact O-CD1 2.97Å
149	T	95.9	Very high	95.5	Very high	22 Å²	22	28.8 Å²	28.8	14%	0.135	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	135.7	169.3	-58.4	0	0	0	0	110.2	W90 F145 N147	W90-T149 CarbonylContact O-C 3.36Å; W90-T149 WeakPolarHBondContact O-CA 3.49Å; F145-T149 HydrophobicContact CD2-CG2 4.2Å; F145-T149 WeakPolarHBondContact CD2-O 3.47Å; F145-T149 PolarHBondContact N-O 3.01Å; N147-T149 VanDerWaalsContact C-N 3.3Å; N147-T149 PolarHBondContact ND2-OG1 3.46Å; N147-T149 PolarHBondContact O-N 2.96Å; N147-T149 WeakPolarHBondContact OD1-CB 3.44Å; N147-T149 PolarHBondContact OD1-N 3.22Å; N147-T149 VanDerWaalsContact OD1-N 3.15Å; N147-T149 PolarHBondContact OD1-OG1 3.39Å
150	L	96.1	Very high	95.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	142	173.1	-67.6	90.4	0	0	0	109.2	F89 W90 D92 L95 L117 L142 M143 V144 G148	F89-L150 VanDerWaalsContact CA-O 3.3Å; F89-L150 WeakPolarHBondContact CA-O 3.18Å; W90-L150 HydrophobicContact CD2-CB 4.01Å; W90-L150 HydrophobicContact CE3-CB 4.31Å; W90-L150 HydrophobicContact CH2-CB 4.2Å; W90-L150 HydrophobicContact CH2-CD2 4.46Å; W90-L150 HydrophobicContact CZ2-CB 3.86Å; W90-L150 HydrophobicContact CZ2-CD2 3.68Å; W90-L150 HydrophobicContact CZ2-CG 4.27Å; W90-L150 HydrophobicContact CZ3-CB 4.39Å; W90-L150 PolarHBondContact N-O 2.87Å; W90-L150 PolarHBondContact O-N 3.19Å; D92-L150 HydrophobicContact CB-CD1 3.48Å; D92-L150 VanDerWaalsContact CB-CD1 3.48Å; L95-L150 HydrophobicContact CD1-CD1 3.92Å; L95-L150 HydrophobicContact CD1-CD2 3.73Å; L95-L150 HydrophobicContact CD1-CG 4.27Å; L117-L150 HydrophobicContact CD1-CD2 3.84Å; L142-L150 HydrophobicContact CD1-CD2 4.21Å; M143-L150 WeakPolarHBondContact O-CA 3.3Å; V144-L150 HydrophobicContact CG2-CD2 4.21Å; V144-L150 HydrophobicContact CG2-CG 4.23Å; G148-L150 VanDerWaalsContact O-CD1 3.23Å; G148-L150 WeakPolarHBondContact O-CD1 2.97Å
151	W	96.6	Very high	95.8	Very high	57 Å²	57	28.6 Å²	28.6	22%	0.216	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	115.4	170	172.4	25.2	0	0	0	108.7	N87 E88 F89 F141 L142 M143 F145	N87-W151 PolarHBondContact OD1-NE1 3.46Å; E88-W151 WeakPolarHBondContact O-CA 3.46Å; F89-W151 HydrophobicContact CD1-CB 3.74Å; F89-W151 AromaticContact CD1-CD1 3.79Å; F89-W151 AromaticContact CD1-CG 3.79Å; F89-W151 HydrophobicContact CD1-CG 3.79Å; F89-W151 HydrophobicContact CE1-CB 3.72Å; F89-W151 AromaticContact CE1-CD1 3.23Å; F89-W151 AromaticContact CE1-CD2 3.72Å; F89-W151 HydrophobicContact CE1-CD2 3.72Å; F89-W151 AromaticContact CE1-CE2 3.98Å; F89-W151 AromaticContact CE1-CG 3.27Å; F89-W151 HydrophobicContact CE1-CG 3.27Å; F89-W151 AromaticContact CE1-NE1 3.69Å; F89-W151 AromaticContact CZ-CD1 3.48Å; F89-W151 VanDerWaalsContact CZ-CD1 3.48Å; F89-W151 HydrophobicContact CZ-CD2 4.22Å; F89-W151 AromaticContact CZ-CE2 3.98Å; F89-W151 AromaticContact CZ-CG 3.95Å; F89-W151 HydrophobicContact CZ-CG 3.95Å; F89-W151 AromaticContact CZ-NE1 3.52Å; F141-W151 HydrophobicContact CD1-CD2 4.5Å; F141-W151 AromaticContact CE1-CD2 3.85Å; F141-W151 HydrophobicContact CE1-CD2 3.85Å; F141-W151 AromaticContact CE1-CE3 3.65Å; F141-W151 HydrophobicContact CE1-CE3 3.65Å; F141-W151 HydrophobicContact CE1-CH2 4.11Å; F141-W151 HydrophobicContact CE1-CZ2 4.3Å; F141-W151 AromaticContact CE1-CZ3 3.78Å; F141-W151 HydrophobicContact CE1-CZ3 3.78Å; F141-W151 HydrophobicContact CZ-CE3 4.31Å; F141-W151 HydrophobicContact CZ-CZ3 4.18Å; L142-W151 CarbonylContact C-O 3.47Å; L142-W151 WeakPolarHBondContact CA-O 3.38Å; M143-W151 HydrophobicContact CB-CB 4.45Å; M143-W151 HydrophobicContact CB-CE3 4.34Å; M143-W151 PolarHBondContact N-O 3.48Å; M143-W151 PolarHBondContact O-N 2.91Å; M143-W151 HydrophobicContact SD-CE3 4.14Å; M143-W151 HydrophobicContact SD-CZ3 4.39Å; F145-W151 HydrophobicContact CE2-CB 4.03Å; F145-W151 HydrophobicContact CZ-CE3 4.39Å
152	T	96.3	Very high	95.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	144.9	167.7	54.9	0	0	0	0	110.4	N87 E88 W90 L114 F141 L142	N87-T152 CarbonylContact C-O 3.58Å; N87-T152 VanDerWaalsContact CA-O 3.24Å; N87-T152 WeakPolarHBondContact CA-O 3.43Å; E88-T152 WeakPolarHBondContact CB-OG1 3.47Å; E88-T152 PolarHBondContact N-O 3.43Å; E88-T152 PolarHBondContact O-N 3.26Å; E88-T152 PolarHBondContact OE2-OG1 3.4Å; W90-T152 HydrophobicContact CH2-CG2 3.37Å; W90-T152 HydrophobicContact CZ3-CG2 3.58Å; W90-T152 WeakPolarHBondContact CZ3-OG1 3.39Å; L114-T152 HydrophobicContact CD1-CG2 3.58Å; F141-T152 CarbonylContact O-C 3.6Å; F141-T152 VanDerWaalsContact O-CA 3.3Å; F141-T152 WeakPolarHBondContact O-CA 3.1Å; L142-T152 HydrophobicContact CD1-CG2 3.96Å
153	N	95.8	Very high	95.8	Very high	20 Å²	20	31.4 Å²	31.4	11%	0.107	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	123.2	171.7	173.2	-91.8	0	0	0	109.2	Y85 I86 N87 V140 F141	Y85-N153 WeakPolarHBondContact CD1-OD1 3.42Å; I86-N153 CarbonylContact O-C 3.6Å; I86-N153 VanDerWaalsContact O-CA 3.3Å; I86-N153 WeakPolarHBondContact O-CA 3.44Å; N87-N153 WeakPolarHBondContact OD1-CB 3.27Å; N87-N153 PolarHBondContact OD1-ND2 3.43Å; V140-N153 WeakPolarHBondContact CA-O 3.37Å; F141-N153 HydrophobicContact CB-CB 4.1Å; F141-N153 HydrophobicContact CD1-CB 4Å; F141-N153 PolarHBondContact N-O 3.21Å; F141-N153 PolarHBondContact O-N 2.88Å
154	Y	95.8	Very high	95.6	Very high	33 Å²	33	30.3 Å²	30.3	13%	0.129	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	121.2	177.7	-57.3	-85.3	0	0	0	109.6	Y85 I86 L114 I132 V140	Y85-Y154 CarbonylContact C-O 3.58Å; Y85-Y154 VanDerWaalsContact CA-O 3.25Å; Y85-Y154 WeakPolarHBondContact CA-O 3.1Å; I86-Y154 PolarHBondContact N-O 2.85Å; I86-Y154 PolarHBondContact O-N 3.08Å; L114-Y154 HydrophobicContact CD2-CE1 4.01Å; I132-Y154 HydrophobicContact CD1-CD1 4.1Å; V140-Y154 HydrophobicContact CB-CD1 4.38Å; V140-Y154 HydrophobicContact CG1-CD1 3.75Å; V140-Y154 HydrophobicContact CG1-CE1 3.59Å; V140-Y154 HydrophobicContact CG2-CD1 3.88Å; V140-Y154 HydrophobicContact CG2-CE1 4.27Å
155	R	96.4	Very high	95.5	Very high	66 Å²	66	36 Å²	36	25%	0.249	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	115.3	169.9	-171.4	-176.6	177.7	-156.4	-11	109.6	Q68 Y85 H133 N139	Q68-R155 VanDerWaalsContact OE1-NE 3.17Å; Y85-R155 HydrophobicContact CD1-CB 3.7Å; Y85-R155 HydrophobicContact CD1-CG 3.89Å; Y85-R155 HydrophobicContact CE1-CB 3.56Å; Y85-R155 HydrophobicContact CE1-CG 3.46Å; Y85-R155 VanDerWaalsContact CE1-CG 3.46Å; Y85-R155 HydrophobicContact CE2-CG 4.4Å; Y85-R155 WeakPolarHBondContact OH-CD 3.46Å; Y85-R155 PolarHBondContact OH-NE 3.09Å; H133-R155 HydrophobicContact CB-CG 4.28Å; H133-R155 PolarHBondContact N-O 3.47Å; N139-R155 HydrophobicContact CB-CB 3.8Å; N139-R155 PolarHBondContact O-N 3.48Å; N139-R155 VanDerWaalsContact O-N 3.12Å
156	M	95.6	Very high	95.3	Very high	30 Å²	30	33.1 Å²	33.1	15%	0.148	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	141.7	-169.5	-50.6	-179.1	76.8	0	0	111.9	D83 L84 I86 F124 A131 I132	D83-M156 WeakPolarHBondContact CA-O 3.25Å; L84-M156 HydrophobicContact CD1-CB 4.33Å; L84-M156 PolarHBondContact N-O 3.23Å; L84-M156 PolarHBondContact O-N 2.95Å; I86-M156 HydrophobicContact CG1-SD 4.45Å; F124-M156 HydrophobicContact CE2-SD 4.42Å; A131-M156 CarbonylContact O-C 3.55Å; A131-M156 WeakPolarHBondContact O-CA 3.48Å; I132-M156 HydrophobicContact CG1-CE 4.1Å; I132-M156 HydrophobicContact CG1-CG 4.17Å
157	K	97.1	Very high	95.1	Very high	76 Å²	76	39 Å²	39	33%	0.33	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	125.3	160.5	-173.9	172.5	-178	-175.7	0	108.4	E81 D83 A131 H133	E81-K157 WeakPolarHBondContact OE2-CE 3.46Å; E81-K157 IonicContact OE2-NZ 3.35Å; E81-K157 PolarHBondContact OE2-NZ 3.41Å; D83-K157 WeakPolarHBondContact OD1-CA 3.12Å; D83-K157 VanDerWaalsContact OD1-CB 3.28Å; D83-K157 WeakPolarHBondContact OD1-CB 3.26Å; D83-K157 WeakPolarHBondContact OD1-CG 3.33Å; A131-K157 PolarHBondContact N-O 3.42Å; A131-K157 PolarHBondContact O-N 3.37Å; H133-K157 PolarHBondContact CD2-N 2.87Å
158	L	97.3	Very high	94.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	136.6	-174.7	-173.7	72.8	0	0	0	110.6	E81 I82 L84 F124 S127 A130 L178	E81-L158 CarbonylContact C-O 3.58Å; E81-L158 WeakPolarHBondContact CA-O 3.23Å; I82-L158 HydrophobicContact CG2-CB 3.85Å; I82-L158 HydrophobicContact CG2-CD2 4.16Å; I82-L158 HydrophobicContact CG2-CG 4.38Å; I82-L158 PolarHBondContact N-O 3.3Å; I82-L158 PolarHBondContact O-N 2.79Å; L84-L158 HydrophobicContact CD2-CD2 4.24Å; F124-L158 HydrophobicContact CB-CD1 4.02Å; F124-L158 HydrophobicContact CB-CD2 4.41Å; F124-L158 HydrophobicContact CD1-CD2 3.89Å; F124-L158 HydrophobicContact CD2-CD1 3.74Å; F124-L158 HydrophobicContact CD2-CD2 3.75Å; F124-L158 HydrophobicContact CD2-CG 4.39Å; F124-L158 HydrophobicContact CE1-CD2 4Å; F124-L158 HydrophobicContact CE2-CD1 4.44Å; F124-L158 HydrophobicContact CE2-CD2 3.86Å; F124-L158 HydrophobicContact CG-CD1 3.98Å; F124-L158 HydrophobicContact CG-CD2 3.75Å; F124-L158 HydrophobicContact CZ-CD2 3.97Å; S127-L158 VanDerWaalsContact CB-CD1 3.47Å; A130-L158 HydrophobicContact CB-CD1 3.51Å; L158-L178 HydrophobicContact CD2-CD1 3.58Å; L158-L178 HydrophobicContact CD2-CD2 3.66Å; L158-L178 HydrophobicContact CD2-CG 4.2Å
159	T	98	Very high	94.9	Very high	18 Å²	18	38.7 Å²	38.7	11%	0.11	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	107.1	169.3	-53	0	0	0	0	108.3	D79 F80 E81 K128 S129	D79-T159 HydrophobicContact CB-CG2 3.91Å; F80-T159 CarbonylContact O-C 3.56Å; F80-T159 WeakPolarHBondContact O-CA 3.35Å; E81-T159 HydrophobicContact CG-CG2 4.2Å; K128-T159 HydrophobicContact CB-CG2 4.28Å; K128-T159 HydrophobicContact CD-CG2 4.48Å; K128-T159 PolarHBondContact N-O 2.61Å; S129-T159 PolarHBondContact N-O 3.28Å; S129-T159 PolarHBondContact O-N 3.35Å
160	G	97	Very high	94.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	146.9	178.5	0	0	0	0	0	112.1	D79 F80	D79-G160 WeakPolarHBondContact CA-O 3.49Å; D79-G160 WeakPolarHBondContact CB-O 3.5Å; F80-G160 VanDerWaalsContact CD1-O 3.26Å; F80-G160 WeakPolarHBondContact CD1-O 3.32Å; F80-G160 PolarHBondContact N-O 2.91Å; F80-G160 PolarHBondContact O-N 3.29Å
161	P	96.9	Very high	94.5	Very high	43 Å²	43	38 Å²	38	28%	0.279	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	146.8	171.8	31.1	-35.3	0	0	0	110.1	N126	N126-P161 HydrophobicContact CB-CG 4.21Å; N126-P161 WeakPolarHBondContact O-CD 3.32Å; N126-P161 WeakPolarHBondContact O-CG 3.12Å
162	C	95.9	Very high	94.2	Very high	3 Å²	3	35.7 Å²	35.7	2%	0.02	17%	0.166	C	C	.	.			trans	-137.4	110.4	172.1	-170.1	0	0	0	0	110	Q78 F80 M164 C176	Q78-C162 CarbonylContact C-O 3.43Å; Q78-C162 WeakPolarHBondContact CB-O 3.33Å; Q78-C162 PolarHBondContact O-N 2.98Å; F80-C162 HydrophobicContact CD1-CB 4.02Å; C162-M164 HydrophobicContact CB-CE 4.02Å; C162-M164 HydrophobicContact CB-CG 4.36Å; C162-M164 PolarHBondContact O-N 3.3Å; C162-C176 HydrophobicContact CB-CB 3.63Å; C162-C176 WeakPolarHBondContact CB-SG 3.05Å; C162-C176 VanDerWaalsContact SG-CA 3.54Å; C162-C176 WeakPolarHBondContact SG-CB 3.42Å; C162-C176 CovalentContact SG-SG 2.03Å; C162-C176 PolarHBondContact SG-SG 2.97Å
163	D	92.3	Very high	94	Very high	124 Å²	124	38 Å²	38	66%	0.663	18%	0.176	S	C	*	.			trans	-77.1	93.5	175.9	-175.3	23	0	0	0	110.3
164	M	92.6	Very high	93.9	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.015	17%	0.171	C	C	.	.			trans	-83.8	125.8	-173.6	-61.5	-174.4	-167.8	0	0	112.5	V73 S74 E75 C162 L166 Q174 Y302	V73-M164 HydrophobicContact CG1-CE 3.48Å; V73-M164 VanDerWaalsContact CG1-CE 3.48Å; S74-M164 VanDerWaalsContact O-CE 3.28Å; S74-M164 WeakPolarHBondContact O-CE 3.43Å; E75-M164 HydrophobicContact CB-SD 4.03Å; E75-M164 HydrophobicContact CG-SD 3.77Å; C162-M164 HydrophobicContact CB-CE 4.02Å; C162-M164 HydrophobicContact CB-CG 4.36Å; C162-M164 PolarHBondContact O-N 3.3Å; M164-L166 HydrophobicContact CB-CD2 4.28Å; M164-L166 HydrophobicContact CB-CG 4.48Å; M164-Q174 HydrophobicContact CB-CG 4.33Å; M164-Q174 HydrophobicContact CG-CB 4.4Å; M164-Q174 HydrophobicContact CG-CG 4.1Å; M164-Q174 HydrophobicContact SD-CG 4.34Å; M164-Y302 PolarHBondContact O-OH 2.86Å
165	K	91.8	Very high	93.8	Very high	122 Å²	122	37.5 Å²	37.5	53%	0.53	17%	0.173	S	C	.	.			trans	-94.3	101.1	173.9	-65.7	179.3	-176.3	171.8	0	109.7	Q174	K165-Q174 PolarHBondContact O-NE2 3.16Å
166	L	92.1	Very high	93.8	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.01	16%	0.162	C	C	.	.			trans	-92.9	11.7	-173.3	-59.3	177.3	0	0	0	114.6	E75 M164 R168 F169 P298 V300 Y302 K304	E75-L166 HydrophobicContact CG-CD2 4.41Å; M164-L166 HydrophobicContact CB-CD2 4.28Å; M164-L166 HydrophobicContact CB-CG 4.48Å; L166-R168 PolarHBondContact O-N 3.19Å; L166-R168 VanDerWaalsContact O-N 3.13Å; L166-F169 HydrophobicContact CB-CB 4.31Å; L166-F169 HydrophobicContact CD2-CD2 4.47Å; L166-F169 VanDerWaalsContact O-CB 3.23Å; L166-F169 WeakPolarHBondContact O-CB 3.36Å; L166-F169 PolarHBondContact O-N 3.03Å; L166-P298 HydrophobicContact CD1-CG 3.39Å; L166-V300 HydrophobicContact CD1-CG1 4.24Å; L166-Y302 HydrophobicContact CB-CE2 4.15Å; L166-Y302 PolarHBondContact N-OH 3.31Å; L166-K304 HydrophobicContact CB-CD 4.18Å; L166-K304 WeakPolarHBondContact O-CG 3.44Å
167	K	91.1	Very high	93.9	Very high	136 Å²	136	37.2 Å²	37.2	59%	0.591	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-36.3	-177.1	-71.9	-177.7	179.7	177.2	0	112.6	Y302 K304 A305	K167-Y302 HydrophobicContact CB-CE2 4.48Å; K167-Y302 HydrophobicContact CG-CD2 3.63Å; K167-Y302 HydrophobicContact CG-CE2 3.76Å; K167-Y302 HydrophobicContact CG-CG 4.3Å; K167-K304 CarbonylContact O-C 3.58Å; K167-K304 WeakPolarHBondContact O-CA 3.38Å; K167-A305 PolarHBondContact O-N 3.48Å
168	R	90.1	Very high	93.8	Very high	56 Å²	56	33.6 Å²	33.6	21%	0.211	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	11.6	-178.8	-67.1	-171.5	178.7	161.6	-2.4	114.3	L166 F171 Y453 S456 Y460	L166-R168 PolarHBondContact O-N 3.19Å; L166-R168 VanDerWaalsContact O-N 3.13Å; R168-F171 CarbonylContact O-C 3.58Å; R168-F171 WeakPolarHBondContact O-CA 3.23Å; R168-F171 PolarHBondContact O-N 2.71Å; R168-Y453 HydrophobicContact CG-CD1 4.43Å; R168-S456 PolarHBondContact NH1-O 3.14Å; R168-S456 PolarHBondContact NH2-O 3.49Å; R168-S456 PolarHBondContact NH2-OG 3.06Å; R168-Y460 VanDerWaalsContact NH1-CB 3.26Å
169	F	92.1	Very high	93.8	Very high	1 Å²	1	34.2 Å²	34.2	0%	0.004	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	129.5	-180	176.2	-88.2	0	0	0	112	L166 Y246 L297 I306	L166-F169 HydrophobicContact CB-CB 4.31Å; L166-F169 HydrophobicContact CD2-CD2 4.47Å; L166-F169 VanDerWaalsContact O-CB 3.23Å; L166-F169 WeakPolarHBondContact O-CB 3.36Å; L166-F169 PolarHBondContact O-N 3.03Å; F169-Y246 HydrophobicContact CE1-CD1 4.22Å; F169-Y246 HydrophobicContact CE1-CE1 4.28Å; F169-Y246 HydrophobicContact CE2-CE1 4.05Å; F169-Y246 AromaticContact CE2-CZ 3.97Å; F169-Y246 AromaticContact CZ-CD1 3.67Å; F169-Y246 HydrophobicContact CZ-CD1 3.67Å; F169-Y246 AromaticContact CZ-CE1 3.34Å; F169-Y246 HydrophobicContact CZ-CE1 3.34Å; F169-Y246 HydrophobicContact CZ-CE2 4.44Å; F169-Y246 HydrophobicContact CZ-CG 4.36Å; F169-Y246 AromaticContact CZ-CZ 3.75Å; F169-L297 HydrophobicContact CD1-CD1 4.02Å; F169-L297 HydrophobicContact CD1-CD2 4.21Å; F169-L297 HydrophobicContact CD2-CD2 3.91Å; F169-L297 HydrophobicContact CE1-CD1 3.57Å; F169-L297 HydrophobicContact CE1-CD2 3.91Å; F169-L297 HydrophobicContact CE1-CG 4.25Å; F169-L297 HydrophobicContact CE2-CD2 3.57Å; F169-L297 HydrophobicContact CG-CD2 4.2Å; F169-L297 HydrophobicContact CZ-CD1 3.95Å; F169-L297 HydrophobicContact CZ-CD2 3.56Å; F169-L297 HydrophobicContact CZ-CG 4.13Å; F169-I306 HydrophobicContact CD1-CB 4.19Å; F169-I306 HydrophobicContact CD1-CD1 4.43Å; F169-I306 HydrophobicContact CD1-CG2 3.74Å; F169-I306 HydrophobicContact CE1-CD1 3.98Å; F169-I306 HydrophobicContact CE1-CG2 4.2Å; F169-I306 PolarHBondContact O-N 2.83Å
170	P	92.3	Very high	93.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	cis	-97.3	12.4	6.7	39.4	-37.5	0	0	0	115.2	D172 R241 Y246 Y251	P170-D172 VanDerWaalsContact C-N 3.26Å; P170-D172 PolarHBondContact O-N 3.17Å; P170-R241 WeakPolarHBondContact O-CD 3.49Å; P170-Y246 HydrophobicContact CB-CD1 4.49Å; P170-Y246 HydrophobicContact CB-CD2 3.71Å; P170-Y246 HydrophobicContact CB-CE2 4.33Å; P170-Y246 HydrophobicContact CB-CG 3.78Å; P170-Y246 HydrophobicContact CG-CD2 4.46Å; P170-Y246 HydrophobicContact CG-CG 4.2Å; P170-Y251 HydrophobicContact CG-CE2 4.09Å
171	F	91.2	Very high	93.8	Very high	7 Å²	7	34 Å²	34	3%	0.031	16%	0.157	C	C	.	.	S	Bend	trans	-94.8	52.8	178.1	-46.6	-69.7	0	0	0	110.2	R168 Y243 V247 Y251 W450 L454 L457	R168-F171 CarbonylContact O-C 3.58Å; R168-F171 WeakPolarHBondContact O-CA 3.23Å; R168-F171 PolarHBondContact O-N 2.71Å; F171-Y243 AromaticContact CD1-CD1 3.87Å; F171-Y243 HydrophobicContact CD1-CD1 3.87Å; F171-Y243 HydrophobicContact CD1-CD2 4.13Å; F171-Y243 HydrophobicContact CD1-CE1 4.47Å; F171-Y243 AromaticContact CD1-CG 3.67Å; F171-Y243 HydrophobicContact CD1-CG 3.67Å; F171-Y243 HydrophobicContact CE1-CD1 4.21Å; F171-Y243 AromaticContact CE1-CD2 3.6Å; F171-Y243 HydrophobicContact CE1-CD2 3.6Å; F171-Y243 HydrophobicContact CE1-CE2 4.2Å; F171-Y243 AromaticContact CE1-CG 3.59Å; F171-Y243 HydrophobicContact CE1-CG 3.59Å; F171-V247 HydrophobicContact CE1-CG2 4.3Å; F171-V247 HydrophobicContact CZ-CG2 4.26Å; F171-Y251 HydrophobicContact CZ-CE2 4.42Å; F171-W450 HydrophobicContact CE1-CZ3 4.11Å; F171-W450 HydrophobicContact CE2-CH2 4.46Å; F171-W450 AromaticContact CE2-CZ3 3.89Å; F171-W450 HydrophobicContact CE2-CZ3 3.89Å; F171-W450 HydrophobicContact CZ-CE3 4.41Å; F171-W450 AromaticContact CZ-CH2 3.86Å; F171-W450 HydrophobicContact CZ-CH2 3.86Å; F171-W450 AromaticContact CZ-CZ3 3.36Å; F171-W450 HydrophobicContact CZ-CZ3 3.36Å; F171-L454 HydrophobicContact CD1-CD2 4.13Å; F171-L454 HydrophobicContact CE1-CD2 4.38Å; F171-L454 HydrophobicContact CG-CD2 4.42Å; F171-L457 HydrophobicContact CB-CD1 3.84Å; F171-L457 WeakPolarHBondContact O-CD1 3.35Å
172	D	91.1	Very high	93.7	Very high	9 Å²	9	32 Å²	32	5%	0.048	14%	0.144	C	C	.	.			trans	-117	155.4	-173.1	58.6	-43.2	0	0	0	112.1	P170 Q174 R241	P170-D172 VanDerWaalsContact C-N 3.26Å; P170-D172 PolarHBondContact O-N 3.17Å; D172-Q174 PolarHBondContact OD2-NE2 2.99Å; D172-R241 PolarHBondContact O-N 3.16Å; D172-R241 VanDerWaalsContact OD1-CD 3.31Å; D172-R241 WeakPolarHBondContact OD1-CD 3.35Å; D172-R241 IonicContact OD1-CZ 2.73Å; D172-R241 IonicContact OD1-NE 3.19Å; D172-R241 PolarHBondContact OD1-NE 3.08Å; D172-R241 IonicContact OD2-CZ 3.36Å; D172-R241 IonicContact OD2-NE 3.16Å; D172-R241 PolarHBondContact OD2-NE 3.41Å; D172-R241 IonicContact OD2-NH2 3.47Å; D172-R241 PolarHBondContact OD2-NH2 3.24Å
173	K	91.8	Very high	93.6	Very high	49 Å²	49	38.5 Å²	38.5	21%	0.213	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	137.4	168.6	-74	175.8	179.9	176.4	0	106.9	F239 E240 F461	K173-F239 CarbonylContact C-O 3.58Å; K173-F239 WeakPolarHBondContact CA-O 3.34Å; K173-E240 WeakPolarHBondContact CE-OE2 3.23Å; K173-E240 HydrophobicContact CG-CB 3.87Å; K173-E240 HydrophobicContact CG-CG 3.82Å; K173-F461 HydrophobicContact CB-CE1 4.09Å; K173-F461 HydrophobicContact CB-CE2 3.52Å; K173-F461 HydrophobicContact CB-CZ 3.22Å; K173-F461 HydrophobicContact CD-CD1 4.26Å; K173-F461 HydrophobicContact CD-CD2 3.91Å; K173-F461 HydrophobicContact CD-CE1 3.96Å; K173-F461 HydrophobicContact CD-CE2 3.6Å; K173-F461 HydrophobicContact CD-CG 4.25Å; K173-F461 HydrophobicContact CD-CZ 3.65Å; K173-F461 HydrophobicContact CG-CE2 4.06Å; K173-F461 HydrophobicContact CG-CZ 4.05Å
174	Q	93.7	Very high	93.7	Very high	3 Å²	3	37 Å²	37	1%	0.014	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	131.8	-177	-57.9	-54.9	-24.6	0	0	109.4	M164 K165 D172 F211 V238 F239	M164-Q174 HydrophobicContact CB-CG 4.33Å; M164-Q174 HydrophobicContact CG-CB 4.4Å; M164-Q174 HydrophobicContact CG-CG 4.1Å; M164-Q174 HydrophobicContact SD-CG 4.34Å; K165-Q174 PolarHBondContact O-NE2 3.16Å; D172-Q174 PolarHBondContact OD2-NE2 2.99Å; Q174-F211 HydrophobicContact CG-CE1 4.42Å; Q174-V238 CarbonylContact O-C 3.54Å; Q174-V238 WeakPolarHBondContact O-CA 3.34Å; Q174-F239 PolarHBondContact N-O 2.96Å; Q174-F239 PolarHBondContact O-N 3.38Å
175	K	94.3	Very high	93.8	Very high	40 Å²	40	38.4 Å²	38.4	17%	0.174	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	122	173.7	-64.1	-171.5	178.1	-178.6	0	108.1	Y177 F237 V238 D464 D468	K175-Y177 HydrophobicContact CB-CE2 4.45Å; K175-F237 CarbonylContact C-O 3.55Å; K175-F237 WeakPolarHBondContact CA-O 3.43Å; K175-V238 HydrophobicContact CG-CG2 4.21Å; K175-D464 PolarHBondContact NZ-O 3.11Å; K175-D468 IonicContact NZ-OD2 2.75Å
176	C	96.3	Very high	93.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	142.1	177.8	-47.8	0	0	0	0	109.8	F80 C162 A236 F237 F239	F80-C176 HydrophobicContact CD1-CB 3.64Å; F80-C176 HydrophobicContact CE1-CB 3.43Å; F80-C176 VanDerWaalsContact CE1-CB 3.43Å; F80-C176 HydrophobicContact CG-CB 4.34Å; F80-C176 HydrophobicContact CZ-CB 3.96Å; C162-C176 HydrophobicContact CB-CB 3.63Å; C162-C176 WeakPolarHBondContact CB-SG 3.05Å; C162-C176 VanDerWaalsContact SG-CA 3.54Å; C162-C176 WeakPolarHBondContact SG-CB 3.42Å; C162-C176 CovalentContact SG-SG 2.03Å; C162-C176 PolarHBondContact SG-SG 2.97Å; C176-A236 CarbonylContact O-C 3.12Å; C176-A236 WeakPolarHBondContact O-CA 3.44Å; C176-F237 PolarHBondContact N-O 3.06Å; C176-F237 PolarHBondContact O-N 3.11Å; C176-F239 HydrophobicContact CB-CE2 4.23Å
177	Y	96.2	Very high	94.1	Very high	89 Å²	89	35.9 Å²	35.9	35%	0.349	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	142.3	-173.1	-56.4	-83.1	0	0	0	111.3	N126 K175 T234 V235 A236	N126-Y177 PolarHBondContact ND2-O 3.47Å; K175-Y177 HydrophobicContact CB-CE2 4.45Å; Y177-T234 HydrophobicContact CD1-CG2 4.16Å; Y177-V235 CarbonylContact C-O 3.45Å; Y177-V235 WeakPolarHBondContact CA-O 3.32Å; Y177-A236 HydrophobicContact CD1-CB 3.58Å; Y177-A236 HydrophobicContact CE1-CB 3.5Å; Y177-A236 VanDerWaalsContact CE1-CB 3.5Å
178	L	96.8	Very high	94.2	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	126.9	163.7	-63.6	-179.3	0	0	0	108.6	F80 I82 L84 F124 L158 T234 V235 F237	F80-L178 HydrophobicContact CE1-CD2 4.08Å; F80-L178 HydrophobicContact CE2-CD1 4.33Å; F80-L178 HydrophobicContact CE2-CD2 4.21Å; F80-L178 HydrophobicContact CE2-CG 4.25Å; F80-L178 HydrophobicContact CZ-CD1 4.22Å; F80-L178 HydrophobicContact CZ-CD2 3.45Å; F80-L178 VanDerWaalsContact CZ-CD2 3.45Å; F80-L178 HydrophobicContact CZ-CG 3.64Å; I82-L178 HydrophobicContact CG2-CD1 4.09Å; L84-L178 HydrophobicContact CD2-CD1 4.12Å; F124-L178 HydrophobicContact CD1-CB 4.15Å; F124-L178 HydrophobicContact CE1-CB 4.09Å; F124-L178 HydrophobicContact CE1-CD1 4.29Å; L158-L178 HydrophobicContact CD2-CD1 3.58Å; L158-L178 HydrophobicContact CD2-CD2 3.66Å; L158-L178 HydrophobicContact CD2-CG 4.2Å; L178-T234 CarbonylContact O-C 3.48Å; L178-T234 VanDerWaalsContact O-CA 3.25Å; L178-T234 WeakPolarHBondContact O-CA 3.32Å; L178-V235 PolarHBondContact N-O 3.4Å; L178-V235 PolarHBondContact O-N 2.97Å; L178-F237 HydrophobicContact CD1-CE2 3.79Å; L178-F237 HydrophobicContact CG-CE2 4.09Å
179	T	96.9	Very high	94.4	Very high	13 Å²	13	32.1 Å²	32.1	8%	0.08	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	125.8	176.1	-57.4	0	0	0	0	109.4	F124 I125 N126 E232 T234	F124-T179 CarbonylContact C-O 3.59Å; F124-T179 VanDerWaalsContact CA-O 3.28Å; F124-T179 WeakPolarHBondContact CA-O 3.47Å; I125-T179 HydrophobicContact CD1-CG2 3.78Å; I125-T179 HydrophobicContact CG1-CG2 3.83Å; I125-T179 PolarHBondContact N-O 2.94Å; N126-T179 PolarHBondContact OD1-N 3.16Å; N126-T179 VanDerWaalsContact OD1-N 3.11Å; T179-E232 HydrophobicContact CG2-CB 3.78Å; T179-E232 HydrophobicContact CG2-CG 3.82Å; T179-T234 PolarHBondContact OG1-OG1 3.38Å
180	F	97.3	Very high	94.7	Very high	5 Å²	5	32 Å²	32	2%	0.022	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	133.8	179.9	-166.4	-109.3	0	0	0	109.8	V63 I86 E88 T122 C123 F124 M192 L233	V63-F180 HydrophobicContact CG1-CD1 4.05Å; V63-F180 HydrophobicContact CG1-CE1 4.03Å; V63-F180 HydrophobicContact CG2-CD1 4.45Å; V63-F180 HydrophobicContact CG2-CE1 4.22Å; I86-F180 HydrophobicContact CG2-CE1 4.02Å; I86-F180 HydrophobicContact CG2-CE2 4.37Å; I86-F180 HydrophobicContact CG2-CZ 3.75Å; E88-F180 WeakPolarHBondContact OE1-CE1 3.44Å; E88-F180 WeakPolarHBondContact OE1-CZ 3.2Å; T122-F180 HydrophobicContact CG2-CE1 4.05Å; T122-F180 HydrophobicContact CG2-CZ 4.28Å; T122-F180 WeakPolarHBondContact OG1-CZ 3.31Å; C123-F180 WeakPolarHBondContact O-CA 3.3Å; C123-F180 WeakPolarHBondContact O-CD2 3.45Å; F124-F180 HydrophobicContact CD1-CB 4.11Å; F124-F180 AromaticContact CD1-CD2 3.82Å; F124-F180 HydrophobicContact CD1-CD2 3.82Å; F124-F180 HydrophobicContact CD1-CG 4.47Å; F124-F180 AromaticContact CD2-CD2 3.91Å; F124-F180 HydrophobicContact CD2-CD2 3.91Å; F124-F180 HydrophobicContact CD2-CE2 4.19Å; F124-F180 HydrophobicContact CE1-CB 3.96Å; F124-F180 AromaticContact CE1-CD2 3.76Å; F124-F180 HydrophobicContact CE1-CD2 3.76Å; F124-F180 HydrophobicContact CE1-CG 4.24Å; F124-F180 AromaticContact CE2-CD2 3.83Å; F124-F180 HydrophobicContact CE2-CD2 3.83Å; F124-F180 HydrophobicContact CE2-CE2 4.03Å; F124-F180 AromaticContact CG-CD2 3.91Å; F124-F180 HydrophobicContact CG-CD2 3.91Å; F124-F180 AromaticContact CZ-CD2 3.77Å; F124-F180 HydrophobicContact CZ-CD2 3.77Å; F124-F180 HydrophobicContact CZ-CE2 4.31Å; F124-F180 HydrophobicContact CZ-CG 4.48Å; F180-M192 HydrophobicContact CD1-CE 3.56Å; F180-M192 HydrophobicContact CE1-CE 3.7Å; F180-L233 HydrophobicContact CB-CB 4.43Å; F180-L233 PolarHBondContact N-O 3.02Å; F180-L233 WeakPolarHBondContact O-CB 3.48Å; F180-L233 PolarHBondContact O-N 3.46Å
181	E	96.4	Very high	94.9	Very high	8 Å²	8	35.5 Å²	35.5	4%	0.037	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	159.2	-168.2	-174.9	-175	160.8	0	0	110.6	T122 C123 I125 M192 Y225 W230 E232	T122-E181 CarbonylContact C-O 3.56Å; T122-E181 WeakPolarHBondContact CA-O 3.41Å; C123-E181 PolarHBondContact N-O 3.44Å; C123-E181 PolarHBondContact O-N 3.06Å; I125-E181 WeakPolarHBondContact CD1-OE2 3.11Å; I125-E181 HydrophobicContact CG2-CB 4.05Å; I125-E181 WeakPolarHBondContact CG2-OE2 3.22Å; E181-M192 VanDerWaalsContact C-SD 3.57Å; E181-Y225 VanDerWaalsContact OE1-CE2 3.29Å; E181-Y225 WeakPolarHBondContact OE1-CE2 3.32Å; E181-Y225 PolarHBondContact OE2-OH 3.13Å; E181-W230 HydrophobicContact CG-CB 4.19Å; E181-W230 HydrophobicContact CG-CG 4.4Å; E181-W230 WeakPolarHBondContact OE1-CB 3.24Å; E181-E232 HydrophobicContact CG-CG 4.37Å
182	S	95.8	Very high	95.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	117.7	168.1	48.3	0	0	0	0	110.8	N184 Y185 M192 W230	S182-N184 PolarHBondContact O-N 3.44Å; S182-Y185 PolarHBondContact OG-O 2.63Å; S182-M192 PolarHBondContact N-SD 3.25Å; S182-W230 PolarHBondContact O-NE1 3.3Å
183	F	94.2	Very high	95.4	Very high	141 Å²	141	39.5 Å²	39.5	62%	0.618	19%	0.194	S	C	*	.	S	Bend	trans	-70.3	-37.9	-173.8	-169.5	-105.9	0	0	0	113.3	N121	N121-F183 WeakPolarHBondContact O-CB 3.46Å; N121-F183 PolarHBondContact O-N 3.26Å
184	N	93.3	Very high	95.7	Very high	91 Å²	91	38 Å²	38	49%	0.487	19%	0.187	S	C	.	.	S	Bend	trans	-102.6	-24.1	-172	-70.6	-26.4	0	0	0	114.1	N121 S182	N121-N184 HydrophobicContact CB-CB 4.41Å; N121-N184 PolarHBondContact ND2-ND2 3.45Å; S182-N184 PolarHBondContact O-N 3.44Å
185	Y	94.7	Very high	95.8	Very high	33 Å²	33	39.3 Å²	39.3	13%	0.129	19%	0.194	C	C	.	.			trans	-112.3	129.7	-167	-58.5	-62.6	0	0	0	110.7	I54 W118 P120 N121 S182 E189 V190 W230	I54-Y185 HydrophobicContact CD1-CD1 4.01Å; I54-Y185 HydrophobicContact CD1-CE1 3.88Å; I54-Y185 HydrophobicContact CG1-CE1 4.06Å; W118-Y185 HydrophobicContact CZ2-CD2 4.13Å; W118-Y185 AromaticContact CZ2-CE2 3.69Å; W118-Y185 HydrophobicContact CZ2-CE2 3.69Å; W118-Y185 AromaticContact NE1-CZ 3.62Å; W118-Y185 PolarHBondContact NE1-OH 3.01Å; W118-Y185 VanDerWaalsContact NE1-OH 3.12Å; P120-Y185 WeakPolarHBondContact O-CD2 3.33Å; N121-Y185 HydrophobicContact CB-CE2 4.14Å; N121-Y185 WeakPolarHBondContact ND2-CE2 3.4Å; N121-Y185 PolarHBondContact ND2-OH 3.45Å; S182-Y185 PolarHBondContact OG-O 2.63Å; Y185-E189 HydrophobicContact CD1-CB 4.23Å; Y185-E189 WeakPolarHBondContact CD1-OE2 3.23Å; Y185-V190 VanDerWaalsContact CB-CG2 3.49Å; Y185-V190 HydrophobicContact CD2-CG2 3.78Å; Y185-V190 HydrophobicContact CG-CG2 3.72Å; Y185-W230 VanDerWaalsContact O-CD1 3.29Å; Y185-W230 PolarHBondContact O-NE1 3.09Å
186	N	95.4	Very high	95.7	Very high	47 Å²	47	44.1 Å²	44.1	25%	0.251	22%	0.217	S	C	.	.			trans	-81.6	175.9	175.3	69.3	22.4	0	0	0	111.4	G188 E189 V190 W229 W230	N186-G188 PolarHBondContact O-N 3.15Å; N186-G188 VanDerWaalsContact O-N 3.1Å; N186-G188 WeakPolarHBondContact OD1-CA 3.26Å; N186-G188 PolarHBondContact OD1-N 3.47Å; N186-E189 PolarHBondContact O-N 3.09Å; N186-E189 PolarHBondContact OD1-N 3.34Å; N186-V190 PolarHBondContact O-N 3.33Å; N186-V190 VanDerWaalsContact O-O 3.13Å; N186-W229 WeakPolarHBondContact CB-O 3.42Å; N186-W230 HydrophobicContact CB-CD2 4.19Å; N186-W230 HydrophobicContact CB-CE3 4.21Å; N186-W230 HydrophobicContact CB-CH2 3.76Å; N186-W230 HydrophobicContact CB-CZ2 3.79Å; N186-W230 HydrophobicContact CB-CZ3 4.02Å
187	T	95.2	Very high	95.4	Very high	24 Å²	24	48.6 Å²	48.6	15%	0.147	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-22.7	176.9	48.1	0	0	0	0	115	E189 V190 R191 W229	T187-E189 VanDerWaalsContact C-N 3.34Å; T187-V190 WeakPolarHBondContact CA-O 3.34Å; T187-R191 WeakPolarHBondContact O-CD 3.21Å; T187-W229 WeakPolarHBondContact CB-O 3.49Å; T187-W229 HydrophobicContact CG2-CB 4.22Å; T187-W229 VanDerWaalsContact CG2-O 3.32Å; T187-W229 WeakPolarHBondContact CG2-O 3.42Å; T187-W229 PolarHBondContact N-O 3.38Å; T187-W229 WeakPolarHBondContact OG1-CB 3.09Å; T187-W229 PolarHBondContact OG1-O 3.5Å
188	G	93.6	Very high	95.2	Very high	48 Å²	48	52.1 Å²	52.1	50%	0.495	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-24.3	175.8	0	0	0	0	0	113.2	N186	N186-G188 PolarHBondContact O-N 3.15Å; N186-G188 VanDerWaalsContact O-N 3.1Å; N186-G188 WeakPolarHBondContact OD1-CA 3.26Å; N186-G188 PolarHBondContact OD1-N 3.47Å
189	E	94.9	Very high	95.1	Very high	65 Å²	65	53 Å²	53	30%	0.304	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-45.6	-177.5	-70.6	176.6	136.1	0	0	111.8	I54 P58 T59 Y185 N186 T187	I54-E189 HydrophobicContact CD1-CB 3.91Å; I54-E189 HydrophobicContact CD1-CG 3.89Å; P58-E189 CarbonylContact C-O 3.52Å; P58-E189 VanDerWaalsContact CA-O 3.29Å; P58-E189 WeakPolarHBondContact CA-O 3.24Å; T59-E189 PolarHBondContact N-O 2.93Å; Y185-E189 HydrophobicContact CD1-CB 4.23Å; Y185-E189 WeakPolarHBondContact CD1-OE2 3.23Å; N186-E189 PolarHBondContact O-N 3.09Å; N186-E189 PolarHBondContact OD1-N 3.34Å; T187-E189 VanDerWaalsContact C-N 3.34Å
190	V	96.6	Very high	95	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	127.8	-178.7	174	0	0	0	0	109.1	T59 V61 W118 Y185 N186 T187 M192	T59-V190 WeakPolarHBondContact O-CA 3.46Å; V61-V190 HydrophobicContact CB-CG1 4.48Å; V61-V190 HydrophobicContact CG2-CG1 3.74Å; W118-V190 HydrophobicContact CH2-CG2 3.87Å; W118-V190 HydrophobicContact CZ2-CG2 3.99Å; Y185-V190 VanDerWaalsContact CB-CG2 3.49Å; Y185-V190 HydrophobicContact CD2-CG2 3.78Å; Y185-V190 HydrophobicContact CG-CG2 3.72Å; N186-V190 PolarHBondContact O-N 3.33Å; N186-V190 VanDerWaalsContact O-O 3.13Å; T187-V190 WeakPolarHBondContact CA-O 3.34Å; V190-M192 HydrophobicContact CG1-CG 4.02Å
191	R	96.8	Very high	94.9	Very high	73 Å²	73	55.4 Å²	55.4	28%	0.275	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	119.2	171.2	-69.4	-57.4	-53.5	-143.4	4.9	109.7	P58 T59 V61 T187 E222 D231	P58-R191 HydrophobicContact CB-CG 3.88Å; P58-R191 HydrophobicContact CG-CG 3.91Å; T59-R191 PolarHBondContact O-N 2.98Å; V61-R191 PolarHBondContact N-O 3.27Å; T187-R191 WeakPolarHBondContact O-CD 3.21Å; R191-E222 IonicContact CZ-OE1 2.7Å; R191-E222 IonicContact NH1-OE1 2.7Å; R191-E222 PolarHBondContact NH1-OE1 3.21Å; R191-E222 IonicContact NH2-OE1 2.76Å; R191-E222 PolarHBondContact NH2-OE1 2.84Å; R191-D231 VanDerWaalsContact CA-OD2 3.23Å; R191-D231 WeakPolarHBondContact CA-OD2 3.49Å; R191-D231 WeakPolarHBondContact CD-OD2 3.44Å; R191-D231 IonicContact CZ-OD1 2.77Å; R191-D231 VanDerWaalsContact CZ-OD1 3.25Å; R191-D231 IonicContact CZ-OD2 3.28Å; R191-D231 IonicContact NE-OD1 2.81Å; R191-D231 IonicContact NE-OD2 2.75Å; R191-D231 PolarHBondContact NE-OD2 3.02Å; R191-D231 IonicContact NH2-OD1 2.9Å; R191-D231 PolarHBondContact NH2-OD1 2.97Å; R191-D231 IonicContact NH2-OD2 2.76Å; R191-D231 PolarHBondContact NH2-OD2 3.25Å
192	M	96.9	Very high	94.9	Very high	8 Å²	8	58 Å²	58	4%	0.039	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	135.5	178.5	-64.1	-174.8	66.9	0	0	110.7	V61 V63 T122 F180 E181 S182 V190 D231 L233	V61-M192 HydrophobicContact CB-CG 4.42Å; V61-M192 WeakPolarHBondContact O-CA 3.43Å; V63-M192 HydrophobicContact CG2-CE 3.85Å; T122-M192 HydrophobicContact CG2-CE 3.61Å; T122-M192 HydrophobicContact CG2-SD 3.92Å; F180-M192 HydrophobicContact CD1-CE 3.56Å; F180-M192 HydrophobicContact CE1-CE 3.7Å; E181-M192 VanDerWaalsContact C-SD 3.57Å; S182-M192 PolarHBondContact N-SD 3.25Å; V190-M192 HydrophobicContact CG1-CG 4.02Å; M192-D231 HydrophobicContact CB-CB 3.88Å; M192-D231 PolarHBondContact N-OD2 3.3Å; M192-L233 HydrophobicContact CB-CD1 4.08Å; M192-L233 HydrophobicContact CB-CG 4.22Å; M192-L233 HydrophobicContact CE-CD1 4.08Å
193	Q	96.7	Very high	94.8	Very high	92 Å²	92	62.4 Å²	62.4	43%	0.43	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	148.6	177.1	61.9	-175.8	-9	0	0	111.3	V61 R62 V63	V61-Q193 PolarHBondContact O-N 2.96Å; R62-Q193 CarbonylContact C-O 3.58Å; R62-Q193 WeakPolarHBondContact CA-O 3.3Å; R62-Q193 HydrophobicContact CG-CG 3.92Å; V63-Q193 PolarHBondContact N-O 3.34Å
194	W	97.2	Very high	94.7	Very high	17 Å²	17	60.5 Å²	60.5	6%	0.064	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	137.3	171.5	-74	120.6	0	0	0	111.5	V63 M65 P199 I219 L233 V235	V63-W194 HydrophobicContact CG1-CZ3 4.33Å; V63-W194 CarbonylContact O-C 3.59Å; M65-W194 HydrophobicContact CB-CZ3 4.49Å; M65-W194 HydrophobicContact CE-CH2 4.41Å; W194-P199 HydrophobicContact CB-CB 3.79Å; W194-P199 HydrophobicContact CD2-CB 3.98Å; W194-P199 HydrophobicContact CE3-CB 3.94Å; W194-P199 HydrophobicContact CG-CB 3.94Å; W194-I219 PolarHBondContact NE1-O 3.24Å; W194-L233 HydrophobicContact CD2-CB 4.35Å; W194-L233 HydrophobicContact CD2-CD1 4.3Å; W194-L233 HydrophobicContact CD2-CD2 4.42Å; W194-L233 HydrophobicContact CE3-CD1 4.42Å; W194-L233 HydrophobicContact CG-CD2 4.29Å; W194-L233 HydrophobicContact CH2-CB 3.99Å; W194-L233 HydrophobicContact CZ2-CB 3.52Å; W194-V235 HydrophobicContact CH2-CG2 3.39Å; W194-V235 HydrophobicContact CZ2-CG2 3.55Å; W194-V235 HydrophobicContact CZ3-CG2 4.39Å
195	N	95.6	Very high	94.6	Very high	30 Å²	30	66 Å²	66	16%	0.16	32%	0.32	C	S	.	.			trans	-68.7	133	173.1	-156.6	19.3	0	0	0	109.7	R62 V63 D64 Y198 P199	R62-N195 PolarHBondContact NH1-OD1 2.89Å; V63-N195 WeakPolarHBondContact O-CB 3.47Å; V63-N195 PolarHBondContact O-N 2.88Å; D64-N195 HydrophobicContact CB-CB 3.83Å; D64-N195 PolarHBondContact OD2-ND2 3.31Å; N195-Y198 CarbonylContact O-C 3.58Å; N195-P199 WeakPolarHBondContact O-CA 3.43Å
196	Q	92.6	Very high	94.5	Very high	142 Å²	142	64.9 Å²	64.9	66%	0.664	32%	0.316	S	S	*	.	S	Bend	trans	-107.4	144.1	-178.6	-67	-69.9	-12.2	0	0	110
197	P	90.5	Very high	94.2	Very high	94 Å²	94	68.1 Å²	68.1	61%	0.61	33%	0.33	S	S	*	.	S	Bend	cis	-90	-4.3	5.9	34.7	-34.8	0	0	0	114.8	P199	P197-P199 VanDerWaalsContact O-CD 3.27Å; P197-P199 WeakPolarHBondContact O-CD 3.47Å
198	Y	92.3	Very high	94.1	Very high	162 Å²	162	67.7 Å²	67.7	64%	0.635	33%	0.327	S	S	*	.			trans	-116.8	89.8	-172.9	-57.8	-62.9	0	0	0	111.5	N195	N195-Y198 CarbonylContact O-C 3.58Å
199	P	93.7	Very high	93.9	Very high	19 Å²	19	71 Å²	71	12%	0.123	34%	0.339	C	S	.	.	S	Bend	trans	-75.1	-33.4	-178.6	30.3	-36.9	0	0	0	112.7	D64 M65 W194 N195 P197 V218	D64-P199 WeakPolarHBondContact CA-O 3.41Å; M65-P199 PolarHBondContact N-O 3.16Å; W194-P199 HydrophobicContact CB-CB 3.79Å; W194-P199 HydrophobicContact CD2-CB 3.98Å; W194-P199 HydrophobicContact CE3-CB 3.94Å; W194-P199 HydrophobicContact CG-CB 3.94Å; N195-P199 WeakPolarHBondContact O-CA 3.43Å; P197-P199 VanDerWaalsContact O-CD 3.27Å; P197-P199 WeakPolarHBondContact O-CD 3.47Å; P199-V218 HydrophobicContact CB-CG1 4.19Å; P199-V218 HydrophobicContact CB-CG2 4.16Å; P199-V218 HydrophobicContact CG-CB 4.38Å; P199-V218 HydrophobicContact CG-CG1 3.96Å; P199-V218 HydrophobicContact CG-CG2 3.64Å
200	V	95.8	Very high	93.7	Very high	10 Å²	10	71.7 Å²	71.7	6%	0.061	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	129.2	177.9	175.9	0	0	0	0	109.1	M65 V67 F216 V218 V235	M65-V200 HydrophobicContact CB-CG2 4.3Å; M65-V200 CarbonylContact O-C 3.59Å; M65-V200 VanDerWaalsContact O-CA 3.28Å; M65-V200 WeakPolarHBondContact O-CA 3.27Å; V67-V200 HydrophobicContact CG2-CG1 4.17Å; V200-F216 HydrophobicContact CB-CD2 4.05Å; V200-F216 HydrophobicContact CB-CE2 3.74Å; V200-F216 HydrophobicContact CG1-CD2 3.99Å; V200-F216 HydrophobicContact CG1-CE2 3.87Å; V200-F216 HydrophobicContact CG1-CZ 4.38Å; V200-V218 HydrophobicContact CB-CG1 4.33Å; V200-V218 HydrophobicContact CG2-CG1 3.47Å; V200-V218 VanDerWaalsContact CG2-CG1 3.47Å; V200-V235 HydrophobicContact CG2-CG1 3.99Å; V200-V235 HydrophobicContact CG2-CG2 3.79Å
201	I	95.6	Very high	93.5	Very high	60 Å²	60	71.8 Å²	71.8	31%	0.308	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	128.1	179.2	-65.3	163.3	0	0	0	108.8	M65 W66 V67	M65-I201 PolarHBondContact O-N 3.31Å; W66-I201 CarbonylContact C-O 3.49Å; W66-I201 VanDerWaalsContact CA-O 3.27Å; W66-I201 WeakPolarHBondContact CA-O 3.42Å; W66-I201 HydrophobicContact CG-CB 4.28Å; V67-I201 PolarHBondContact N-O 3.06Å
202	L	95.4	Very high	93.4	Very high	63 Å²	63	71.8 Å²	71.8	33%	0.33	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	116.3	173	-56.4	-178.6	0	0	0	109	V67 K204 I206 L213 F216	V67-L202 HydrophobicContact CB-CD2 3.79Å; V67-L202 HydrophobicContact CG1-CD2 4.42Å; V67-L202 HydrophobicContact CG2-CD2 4.03Å; L202-K204 VanDerWaalsContact C-N 3.29Å; L202-K204 PolarHBondContact O-N 3.12Å; L202-I206 HydrophobicContact CD2-CD1 4.03Å; L202-L213 HydrophobicContact CD1-CD2 4.18Å; L202-L213 HydrophobicContact CD2-CD2 4.26Å; L202-F216 HydrophobicContact CD1-CD1 4.11Å; L202-F216 HydrophobicContact CD1-CE1 3.72Å; L202-F216 HydrophobicContact CD2-CD1 4.5Å; L202-F216 HydrophobicContact CD2-CE1 4.38Å; L202-F216 HydrophobicContact CG-CD1 4.46Å; L202-F216 HydrophobicContact CG-CE1 3.93Å
203	L	94.3	Very high	93.2	Very high	91 Å²	91	72.7 Å²	72.7	48%	0.476	35%	0.353	S	S	.	.	S	Bend	trans	-68.9	-29.4	179.2	-78.7	147.9	0	0	0	112.4	W66 V67 Q68 Y85	W66-L203 HydrophobicContact CB-CD1 3.91Å; W66-L203 HydrophobicContact CB-CG 4.35Å; V67-L203 WeakPolarHBondContact O-CB 3.35Å; V67-L203 PolarHBondContact O-N 3.24Å; Q68-L203 HydrophobicContact CB-CD1 3.99Å; Q68-L203 HydrophobicContact CG-CD1 4.46Å; Y85-L203 HydrophobicContact CD2-CD1 3.75Å; Y85-L203 HydrophobicContact CE2-CD1 3.8Å
204	K	92.8	Very high	93	Very high	102 Å²	102	71.7 Å²	71.7	44%	0.443	35%	0.352	S	S	.	.	S	Bend	trans	-145.5	163.4	172.9	64.6	-179.6	178.2	-176.2	0	110.3	Q68 E69 L202 I206	Q68-K204 WeakPolarHBondContact O-CE 3.45Å; Q68-K204 WeakPolarHBondContact O-CG 3.48Å; E69-K204 VanDerWaalsContact CB-CE 3.49Å; E69-K204 IonicContact OE2-NZ 3.85Å; E69-K204 PolarHBondContact OE2-NZ 2.76Å; L202-K204 VanDerWaalsContact C-N 3.29Å; L202-K204 PolarHBondContact O-N 3.12Å; K204-I206 PolarHBondContact O-N 3.15Å
205	R	90.4	Very high	92.8	Very high	206 Å²	206	75.4 Å²	75.4	78%	0.777	37%	0.374	S	S	*	.			trans	-64.2	126	168.5	179.9	178.7	-84.7	-107.1	-4.3	109.1	E207	R205-E207 WeakPolarHBondContact CD-OE1 3.42Å; R205-E207 HydrophobicContact CG-CG 4.06Å
206	I	91.8	Very high	92.7	Very high	9 Å²	9	77.1 Å²	77.1	5%	0.046	38%	0.38	C	S	.	.			trans	-92.8	109.2	-176	-54.1	-174.4	0	0	0	109.3	V67 V70 L202 K204 L208 L213	V67-I206 HydrophobicContact CB-CD1 4.23Å; V67-I206 HydrophobicContact CG1-CD1 3.38Å; V70-I206 HydrophobicContact CB-CG2 3.72Å; V70-I206 HydrophobicContact CG2-CD1 4.02Å; V70-I206 HydrophobicContact CG2-CG2 3.8Å; L202-I206 HydrophobicContact CD2-CD1 4.03Å; K204-I206 PolarHBondContact O-N 3.15Å; I206-L208 HydrophobicContact CG2-CD1 4.07Å; I206-L213 HydrophobicContact CB-CB 4.1Å; I206-L213 HydrophobicContact CB-CD2 4.21Å; I206-L213 HydrophobicContact CD1-CD2 3.89Å; I206-L213 HydrophobicContact CG1-CD2 4.36Å; I206-L213 HydrophobicContact CG2-CB 4.37Å; I206-L213 PolarHBondContact O-N 3.41Å
207	E	89.6	Confident	92.8	Very high	115 Å²	115	72.9 Å²	72.9	54%	0.537	37%	0.366	S	S	.	.	B	Isolated β-bridge	trans	-126.4	126	175.5	-60.3	-161.4	-172.4	0	0	110.1	R205 R242	R205-E207 WeakPolarHBondContact CD-OE1 3.42Å; R205-E207 HydrophobicContact CG-CG 4.06Å; E207-R242 IonicContact OE2-NH2 3.81Å; E207-R242 PolarHBondContact OE2-NH2 2.87Å
208	L	92.4	Very high	93	Very high	16 Å²	16	70.8 Å²	70.8	8%	0.084	35%	0.351	C	S	.	.			trans	-106.3	160.9	171.9	-60.8	96.3	0	0	0	109.6	V70 V73 I206 D210 F211 F239 R242	V70-L208 HydrophobicContact CB-CD1 4.27Å; V70-L208 HydrophobicContact CG1-CD1 4.24Å; V70-L208 HydrophobicContact CG1-CD2 4.13Å; V73-L208 HydrophobicContact CG2-CD2 4.18Å; I206-L208 HydrophobicContact CG2-CD1 4.07Å; L208-D210 VanDerWaalsContact C-N 3.31Å; L208-D210 PolarHBondContact O-N 2.95Å; L208-F211 CarbonylContact C-O 3.56Å; L208-F211 VanDerWaalsContact CA-O 3.32Å; L208-F211 WeakPolarHBondContact CA-O 3.45Å; L208-F211 HydrophobicContact CB-CB 4.27Å; L208-F211 WeakPolarHBondContact CB-O 3.44Å; L208-F211 HydrophobicContact CD1-CB 4.32Å; L208-F211 PolarHBondContact N-O 3Å; L208-F239 HydrophobicContact CD1-CE1 4.42Å; L208-R242 PolarHBondContact O-NE 2.98Å
209	P	90.1	Very high	93.1	Very high	117 Å²	117	65.8 Å²	65.8	76%	0.76	34%	0.335	S	S	*	.	S	Bend	trans	-58.8	-41.2	174.7	-26.1	35.7	0	0	0	113.2	R242	P209-R242 WeakPolarHBondContact O-CD 3.35Å
210	D	90	Very high	93.2	Very high	79 Å²	79	67.9 Å²	67.9	42%	0.422	35%	0.354	S	S	.	.	S	Bend	trans	-101	-17.6	-175.5	-63.3	-38.1	0	0	0	113.4	L208 R241 R242	L208-D210 VanDerWaalsContact C-N 3.31Å; L208-D210 PolarHBondContact O-N 2.95Å; D210-R241 WeakPolarHBondContact O-CA 3.32Å; D210-R242 PolarHBondContact O-N 3.17Å
211	F	93.9	Very high	93.1	Very high	2 Å²	2	70.5 Å²	70.5	1%	0.009	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	156.5	-175.6	-69.6	-87.2	0	0	0	112.6	V73 E75 Q174 L208 F239 E240 R241	V73-F211 HydrophobicContact CB-CD2 3.87Å; V73-F211 HydrophobicContact CB-CE2 3.98Å; V73-F211 HydrophobicContact CB-CG 4.44Å; V73-F211 HydrophobicContact CG1-CD2 4.15Å; V73-F211 HydrophobicContact CG1-CE2 3.87Å; V73-F211 HydrophobicContact CG1-CZ 4.05Å; E75-F211 WeakPolarHBondContact OE1-CE2 3.1Å; E75-F211 WeakPolarHBondContact OE1-CZ 3.37Å; Q174-F211 HydrophobicContact CG-CE1 4.42Å; L208-F211 CarbonylContact C-O 3.56Å; L208-F211 VanDerWaalsContact CA-O 3.32Å; L208-F211 WeakPolarHBondContact CA-O 3.45Å; L208-F211 HydrophobicContact CB-CB 4.27Å; L208-F211 WeakPolarHBondContact CB-O 3.44Å; L208-F211 HydrophobicContact CD1-CB 4.32Å; L208-F211 PolarHBondContact N-O 3Å; F211-F239 HydrophobicContact CB-CB 4.43Å; F211-F239 HydrophobicContact CD1-CB 3.93Å; F211-F239 HydrophobicContact CG-CB 4.46Å; F211-E240 CarbonylContact C-O 3.58Å; F211-E240 WeakPolarHBondContact CA-O 3.21Å; F211-R241 HydrophobicContact CD1-CB 4.16Å; F211-R241 HydrophobicContact CE1-CB 3.94Å; F211-R241 HydrophobicContact CE1-CG 4.4Å; F211-R241 VanDerWaalsContact CZ-CZ 3.48Å; F211-R241 VanDerWaalsContact CZ-NH2 3.29Å
212	K	92.9	Very high	93.1	Very high	74 Å²	74	72.4 Å²	72.4	32%	0.322	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	139.3	165	59.3	177.3	-179.3	179	0	108.9	V214 F239 E240	K212-V214 HydrophobicContact CD-CG2 4.24Å; K212-V214 HydrophobicContact CG-CG2 3.97Å; K212-V214 PolarHBondContact O-N 3.44Å; K212-F239 CarbonylContact O-C 3.6Å; K212-F239 WeakPolarHBondContact O-CA 3.45Å; K212-E240 WeakPolarHBondContact CE-OE1 3.39Å; K212-E240 VanDerWaalsContact CE-OE2 3.23Å; K212-E240 WeakPolarHBondContact CE-OE2 3.28Å; K212-E240 HydrophobicContact CG-CB 4.04Å; K212-E240 PolarHBondContact N-O 3.13Å; K212-E240 IonicContact NZ-OE1 2.73Å; K212-E240 PolarHBondContact NZ-OE1 3.22Å; K212-E240 IonicContact NZ-OE2 3.56Å; K212-E240 PolarHBondContact NZ-OE2 3.08Å; K212-E240 PolarHBondContact O-N 3.22Å
213	L	94.1	Very high	93.1	Very high	27 Å²	27	73.5 Å²	73.5	14%	0.141	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	119.9	168.8	-178.2	67.3	0	0	0	107.9	L202 I206 F237 F239	L202-L213 HydrophobicContact CD1-CD2 4.18Å; L202-L213 HydrophobicContact CD2-CD2 4.26Å; I206-L213 HydrophobicContact CB-CB 4.1Å; I206-L213 HydrophobicContact CB-CD2 4.21Å; I206-L213 HydrophobicContact CD1-CD2 3.89Å; I206-L213 HydrophobicContact CG1-CD2 4.36Å; I206-L213 HydrophobicContact CG2-CB 4.37Å; I206-L213 PolarHBondContact O-N 3.41Å; L213-F237 HydrophobicContact CD1-CB 4.01Å; L213-F237 HydrophobicContact CD1-CD1 4.09Å; L213-F237 HydrophobicContact CD2-CD1 4.4Å; L213-F239 HydrophobicContact CB-CD1 4.28Å; L213-F239 HydrophobicContact CB-CE1 4.21Å; L213-F239 HydrophobicContact CD1-CD1 4.07Å; L213-F239 HydrophobicContact CD1-CE1 3.84Å; L213-F239 HydrophobicContact CD1-CZ 4.24Å
214	V	92.1	Very high	93.2	Very high	70 Å²	70	74 Å²	74	42%	0.424	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	-42.9	-176.4	178.2	0	0	0	0	111.5	K212 V238 E240	K212-V214 HydrophobicContact CD-CG2 4.24Å; K212-V214 HydrophobicContact CG-CG2 3.97Å; K212-V214 PolarHBondContact O-N 3.44Å; V214-V238 PolarHBondContact N-O 3.32Å; V214-E240 HydrophobicContact CG2-CB 3.39Å; V214-E240 HydrophobicContact CG2-CG 4.43Å; V214-E240 WeakPolarHBondContact CG2-OE2 3.34Å
215	N	92.7	Very high	93.2	Very high	96 Å²	96	72.6 Å²	72.6	51%	0.513	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	161.6	-179.3	-160.9	12.4	0	0	0	110.4	V238	N215-V238 HydrophobicContact CB-CB 4.3Å; N215-V238 HydrophobicContact CB-CG2 4.35Å; N215-V238 WeakPolarHBondContact O-CB 3.32Å; N215-V238 PolarHBondContact O-N 3.47Å
216	F	94	Very high	93.4	Very high	65 Å²	65	69.6 Å²	69.6	29%	0.285	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	151.3	165.5	62.9	-88.9	0	0	0	109.4	V200 L202 A236 F237	V200-F216 HydrophobicContact CB-CD2 4.05Å; V200-F216 HydrophobicContact CB-CE2 3.74Å; V200-F216 HydrophobicContact CG1-CD2 3.99Å; V200-F216 HydrophobicContact CG1-CE2 3.87Å; V200-F216 HydrophobicContact CG1-CZ 4.38Å; L202-F216 HydrophobicContact CD1-CD1 4.11Å; L202-F216 HydrophobicContact CD1-CE1 3.72Å; L202-F216 HydrophobicContact CD2-CD1 4.5Å; L202-F216 HydrophobicContact CD2-CE1 4.38Å; L202-F216 HydrophobicContact CG-CD1 4.46Å; L202-F216 HydrophobicContact CG-CE1 3.93Å; F216-A236 CarbonylContact C-O 3.57Å; F216-A236 WeakPolarHBondContact CA-O 3.12Å; F216-A236 WeakPolarHBondContact CB-O 3.49Å; F216-F237 HydrophobicContact CB-CD1 4.14Å; F216-F237 HydrophobicContact CB-CE1 4.48Å
217	S	94.6	Very high	93.4	Very high	54 Å²	54	72.8 Å²	72.8	38%	0.378	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	155	173.2	58	0	0	0	0	110.1	V235 A236	S217-V235 WeakPolarHBondContact O-CA 3.41Å; S217-A236 PolarHBondContact N-O 2.95Å; S217-A236 PolarHBondContact O-N 3.12Å
218	V	95.1	Very high	93.6	Very high	50 Å²	50	68.1 Å²	68.1	30%	0.303	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	144.4	177.1	-58.5	0	0	0	0	109.6	P199 V200 T234 V235	P199-V218 HydrophobicContact CB-CG1 4.19Å; P199-V218 HydrophobicContact CB-CG2 4.16Å; P199-V218 HydrophobicContact CG-CB 4.38Å; P199-V218 HydrophobicContact CG-CG1 3.96Å; P199-V218 HydrophobicContact CG-CG2 3.64Å; V200-V218 HydrophobicContact CB-CG1 4.33Å; V200-V218 HydrophobicContact CG2-CG1 3.47Å; V200-V218 VanDerWaalsContact CG2-CG1 3.47Å; V218-T234 CarbonylContact C-O 3.52Å; V218-T234 WeakPolarHBondContact CA-O 3.35Å; V218-V235 HydrophobicContact CG1-CG1 4.44Å; V218-V235 HydrophobicContact CG1-CG2 4.24Å
219	I	94.1	Very high	93.8	Very high	57 Å²	57	73.3 Å²	73.3	29%	0.292	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	140.2	179.6	-61.4	173.5	0	0	0	106.8	W194 V221 T234	W194-I219 PolarHBondContact NE1-O 3.24Å; I219-V221 HydrophobicContact CG2-CG1 3.62Å; I219-T234 PolarHBondContact N-O 2.67Å; I219-T234 PolarHBondContact O-N 3.26Å
220	A	95.3	Very high	94.1	Very high	62 Å²	62	68.9 Å²	68.9	51%	0.512	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	121.8	169	0	0	0	0	0	107.5	E232 L233	A220-E232 WeakPolarHBondContact CA-O 3.25Å; A220-L233 HydrophobicContact CB-CD2 3.7Å
221	V	94.8	Very high	94.5	Very high	66 Å²	66	65.5 Å²	65.5	40%	0.4	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	148.9	-175	-73.7	0	0	0	0	110.8	I219 E232	I219-V221 HydrophobicContact CG2-CG1 3.62Å; V221-E232 HydrophobicContact CG2-CB 4.09Å; V221-E232 PolarHBondContact N-O 3.46Å; V221-E232 PolarHBondContact O-N 3.43Å
222	E	95.7	Very high	94.6	Very high	99 Å²	99	66.4 Å²	66.4	46%	0.463	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	121.2	169.9	-68.8	-176.4	170.9	0	0	109.4	R191 W229 W230	R191-E222 IonicContact CZ-OE1 2.7Å; R191-E222 IonicContact NH1-OE1 2.7Å; R191-E222 PolarHBondContact NH1-OE1 3.21Å; R191-E222 IonicContact NH2-OE1 2.76Å; R191-E222 PolarHBondContact NH2-OE1 2.84Å; E222-W229 HydrophobicContact CB-CE3 4.22Å; E222-W230 CarbonylContact C-O 3.59Å; E222-W230 VanDerWaalsContact CA-O 3.32Å; E222-W230 WeakPolarHBondContact CA-O 3.4Å
223	Q	94.9	Very high	94.8	Very high	87 Å²	87	63 Å²	63	41%	0.407	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	133.8	-179.7	-173.8	64	7.7	0	0	111	Y225 W229 W230 E232	Q223-Y225 HydrophobicContact CB-CE2 4.06Å; Q223-Y225 HydrophobicContact CG-CD2 4.39Å; Q223-Y225 HydrophobicContact CG-CE2 3.82Å; Q223-W229 WeakPolarHBondContact O-CA 3.36Å; Q223-W230 PolarHBondContact N-O 3.15Å; Q223-W230 PolarHBondContact O-N 3.3Å; Q223-E232 HydrophobicContact CB-CG 3.94Å; Q223-E232 WeakPolarHBondContact CB-OE1 3.42Å; Q223-E232 WeakPolarHBondContact CG-OE1 3.3Å
224	M	95.8	Very high	95	Very high	100 Å²	100	62.4 Å²	62.4	49%	0.493	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	120.5	177.2	-175.7	63.7	175.9	0	0	110.9	W229	M224-W229 HydrophobicContact CB-CD2 4.2Å; M224-W229 HydrophobicContact CB-CE3 3.86Å; M224-W229 HydrophobicContact CB-CH2 3.87Å; M224-W229 HydrophobicContact CB-CZ2 4.19Å; M224-W229 HydrophobicContact CB-CZ3 3.7Å; M224-W229 HydrophobicContact CG-CH2 4.44Å; M224-W229 HydrophobicContact CG-CZ2 4.29Å; M224-W229 HydrophobicContact SD-CD2 3.7Å; M224-W229 HydrophobicContact SD-CE3 4.35Å; M224-W229 HydrophobicContact SD-CG 3.95Å; M224-W229 HydrophobicContact SD-CZ2 3.87Å
225	Y	94	Very high	95.2	Very high	74 Å²	74	59.1 Å²	59.1	29%	0.29	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	163.6	169	-71.4	-81.4	0	0	0	110.5	E181 Q223 A227 G228 W230 E232	E181-Y225 VanDerWaalsContact OE1-CE2 3.29Å; E181-Y225 WeakPolarHBondContact OE1-CE2 3.32Å; E181-Y225 PolarHBondContact OE2-OH 3.13Å; Q223-Y225 HydrophobicContact CB-CE2 4.06Å; Q223-Y225 HydrophobicContact CG-CD2 4.39Å; Q223-Y225 HydrophobicContact CG-CE2 3.82Å; Y225-A227 PolarHBondContact O-N 2.75Å; Y225-G228 PolarHBondContact N-O 2.91Å; Y225-G228 PolarHBondContact O-N 2.87Å; Y225-W230 HydrophobicContact CD2-CB 3.96Å; Y225-W230 HydrophobicContact CD2-CD2 4.04Å; Y225-W230 AromaticContact CD2-CE3 3.78Å; Y225-W230 HydrophobicContact CD2-CE3 3.78Å; Y225-W230 HydrophobicContact CD2-CG 4.12Å; Y225-W230 HydrophobicContact CE2-CB 4Å; Y225-W230 HydrophobicContact CE2-CG 4.4Å; Y225-W230 HydrophobicContact CG-CE3 4.26Å; Y225-E232 PolarHBondContact OH-OE1 2.94Å
226	P	93.4	Very high	95.4	Very high	142 Å²	142	54.7 Å²	54.7	92%	0.922	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-24.5	175.4	-27.5	36	0	0	0	114.4
227	A	91.9	Very high	95.4	Very high	77 Å²	77	51.6 Å²	51.6	64%	0.636	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	1.8	-179.7	0	0	0	0	0	114.2	Y225 W230	Y225-A227 PolarHBondContact O-N 2.75Å; A227-W230 VanDerWaalsContact C-CZ3 3.48Å; A227-W230 HydrophobicContact CB-CH2 3.52Å; A227-W230 HydrophobicContact CB-CZ3 3.9Å
228	G	94.4	Very high	95.5	Very high	16 Å²	16	49.8 Å²	49.8	17%	0.165	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	126	-158.7	-173.4	0	0	0	0	0	114.4	Y225 W230	Y225-G228 PolarHBondContact N-O 2.91Å; Y225-G228 PolarHBondContact O-N 2.87Å; G228-W230 VanDerWaalsContact C-CE3 3.47Å; G228-W230 VanDerWaalsContact O-CE3 3.29Å; G228-W230 WeakPolarHBondContact O-CZ3 3.02Å
229	W	96.6	Very high	95.5	Very high	126 Å²	126	47.4 Å²	47.4	48%	0.477	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	137.1	-176.6	-64.6	91.4	0	0	0	112.1	N186 T187 E222 Q223 M224	N186-W229 WeakPolarHBondContact CB-O 3.42Å; T187-W229 WeakPolarHBondContact CB-O 3.49Å; T187-W229 HydrophobicContact CG2-CB 4.22Å; T187-W229 VanDerWaalsContact CG2-O 3.32Å; T187-W229 WeakPolarHBondContact CG2-O 3.42Å; T187-W229 PolarHBondContact N-O 3.38Å; T187-W229 WeakPolarHBondContact OG1-CB 3.09Å; T187-W229 PolarHBondContact OG1-O 3.5Å; E222-W229 HydrophobicContact CB-CE3 4.22Å; Q223-W229 WeakPolarHBondContact O-CA 3.36Å; M224-W229 HydrophobicContact CB-CD2 4.2Å; M224-W229 HydrophobicContact CB-CE3 3.86Å; M224-W229 HydrophobicContact CB-CH2 3.87Å; M224-W229 HydrophobicContact CB-CZ2 4.19Å; M224-W229 HydrophobicContact CB-CZ3 3.7Å; M224-W229 HydrophobicContact CG-CH2 4.44Å; M224-W229 HydrophobicContact CG-CZ2 4.29Å; M224-W229 HydrophobicContact SD-CD2 3.7Å; M224-W229 HydrophobicContact SD-CE3 4.35Å; M224-W229 HydrophobicContact SD-CG 3.95Å; M224-W229 HydrophobicContact SD-CZ2 3.87Å
230	W	96.8	Very high	95.4	Very high	23 Å²	23	46.6 Å²	46.6	9%	0.087	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	149.5	177.4	-86.4	-109.3	0	0	0	111.7	E181 S182 Y185 N186 E222 Q223 Y225 A227 G228	E181-W230 HydrophobicContact CG-CB 4.19Å; E181-W230 HydrophobicContact CG-CG 4.4Å; E181-W230 WeakPolarHBondContact OE1-CB 3.24Å; S182-W230 PolarHBondContact O-NE1 3.3Å; Y185-W230 VanDerWaalsContact O-CD1 3.29Å; Y185-W230 PolarHBondContact O-NE1 3.09Å; N186-W230 HydrophobicContact CB-CD2 4.19Å; N186-W230 HydrophobicContact CB-CE3 4.21Å; N186-W230 HydrophobicContact CB-CH2 3.76Å; N186-W230 HydrophobicContact CB-CZ2 3.79Å; N186-W230 HydrophobicContact CB-CZ3 4.02Å; E222-W230 CarbonylContact C-O 3.59Å; E222-W230 VanDerWaalsContact CA-O 3.32Å; E222-W230 WeakPolarHBondContact CA-O 3.4Å; Q223-W230 PolarHBondContact N-O 3.15Å; Q223-W230 PolarHBondContact O-N 3.3Å; Y225-W230 HydrophobicContact CD2-CB 3.96Å; Y225-W230 HydrophobicContact CD2-CD2 4.04Å; Y225-W230 AromaticContact CD2-CE3 3.78Å; Y225-W230 HydrophobicContact CD2-CE3 3.78Å; Y225-W230 HydrophobicContact CD2-CG 4.12Å; Y225-W230 HydrophobicContact CE2-CB 4Å; Y225-W230 HydrophobicContact CE2-CG 4.4Å; Y225-W230 HydrophobicContact CG-CE3 4.26Å; A227-W230 VanDerWaalsContact C-CZ3 3.48Å; A227-W230 HydrophobicContact CB-CH2 3.52Å; A227-W230 HydrophobicContact CB-CZ3 3.9Å; G228-W230 VanDerWaalsContact C-CE3 3.47Å; G228-W230 VanDerWaalsContact O-CE3 3.29Å; G228-W230 WeakPolarHBondContact O-CZ3 3.02Å
231	D	97.1	Very high	95.4	Very high	8 Å²	8	43.8 Å²	43.8	4%	0.043	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	113.3	171.8	-74.7	-36.7	0	0	0	109.3	R191 M192	R191-D231 VanDerWaalsContact CA-OD2 3.23Å; R191-D231 WeakPolarHBondContact CA-OD2 3.49Å; R191-D231 WeakPolarHBondContact CD-OD2 3.44Å; R191-D231 IonicContact CZ-OD1 2.77Å; R191-D231 VanDerWaalsContact CZ-OD1 3.25Å; R191-D231 IonicContact CZ-OD2 3.28Å; R191-D231 IonicContact NE-OD1 2.81Å; R191-D231 IonicContact NE-OD2 2.75Å; R191-D231 PolarHBondContact NE-OD2 3.02Å; R191-D231 IonicContact NH2-OD1 2.9Å; R191-D231 PolarHBondContact NH2-OD1 2.97Å; R191-D231 IonicContact NH2-OD2 2.76Å; R191-D231 PolarHBondContact NH2-OD2 3.25Å; M192-D231 HydrophobicContact CB-CB 3.88Å; M192-D231 PolarHBondContact N-OD2 3.3Å
232	E	96.9	Very high	95.3	Very high	22 Å²	22	45.2 Å²	45.2	10%	0.103	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	125.8	174.5	-74.8	-172.5	-175.8	0	0	111.1	T179 E181 A220 V221 Q223 Y225	T179-E232 HydrophobicContact CG2-CB 3.78Å; T179-E232 HydrophobicContact CG2-CG 3.82Å; E181-E232 HydrophobicContact CG-CG 4.37Å; A220-E232 WeakPolarHBondContact CA-O 3.25Å; V221-E232 HydrophobicContact CG2-CB 4.09Å; V221-E232 PolarHBondContact N-O 3.46Å; V221-E232 PolarHBondContact O-N 3.43Å; Q223-E232 HydrophobicContact CB-CG 3.94Å; Q223-E232 WeakPolarHBondContact CB-OE1 3.42Å; Q223-E232 WeakPolarHBondContact CG-OE1 3.3Å; Y225-E232 PolarHBondContact OH-OE1 2.94Å
233	L	97.6	Very high	95	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	102.7	174.2	-59.9	-171.1	0	0	0	109.3	V63 F180 M192 W194 A220	V63-L233 HydrophobicContact CB-CD1 3.81Å; V63-L233 HydrophobicContact CG1-CD1 4.48Å; V63-L233 HydrophobicContact CG2-CD1 3.94Å; F180-L233 HydrophobicContact CB-CB 4.43Å; F180-L233 PolarHBondContact N-O 3.02Å; F180-L233 WeakPolarHBondContact O-CB 3.48Å; F180-L233 PolarHBondContact O-N 3.46Å; M192-L233 HydrophobicContact CB-CD1 4.08Å; M192-L233 HydrophobicContact CB-CG 4.22Å; M192-L233 HydrophobicContact CE-CD1 4.08Å; W194-L233 HydrophobicContact CD2-CB 4.35Å; W194-L233 HydrophobicContact CD2-CD1 4.3Å; W194-L233 HydrophobicContact CD2-CD2 4.42Å; W194-L233 HydrophobicContact CE3-CD1 4.42Å; W194-L233 HydrophobicContact CG-CD2 4.29Å; W194-L233 HydrophobicContact CH2-CB 3.99Å; W194-L233 HydrophobicContact CZ2-CB 3.52Å; A220-L233 HydrophobicContact CB-CD2 3.7Å
234	T	96.9	Very high	94.8	Very high	16 Å²	16	43.5 Å²	43.5	10%	0.098	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	134.9	-176.3	-55.3	0	0	0	0	112.3	Y177 L178 T179 V218 I219	Y177-T234 HydrophobicContact CD1-CG2 4.16Å; L178-T234 CarbonylContact O-C 3.48Å; L178-T234 VanDerWaalsContact O-CA 3.25Å; L178-T234 WeakPolarHBondContact O-CA 3.32Å; T179-T234 PolarHBondContact OG1-OG1 3.38Å; V218-T234 CarbonylContact C-O 3.52Å; V218-T234 WeakPolarHBondContact CA-O 3.35Å; I219-T234 PolarHBondContact N-O 2.67Å; I219-T234 PolarHBondContact O-N 3.26Å
235	V	96.6	Very high	94.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	128.2	169.4	-172.4	0	0	0	0	109.4	M65 Y177 L178 W194 V200 S217 V218 F237	M65-V235 HydrophobicContact CE-CG2 3.75Å; M65-V235 HydrophobicContact SD-CG2 4.09Å; Y177-V235 CarbonylContact C-O 3.45Å; Y177-V235 WeakPolarHBondContact CA-O 3.32Å; L178-V235 PolarHBondContact N-O 3.4Å; L178-V235 PolarHBondContact O-N 2.97Å; W194-V235 HydrophobicContact CH2-CG2 3.39Å; W194-V235 HydrophobicContact CZ2-CG2 3.55Å; W194-V235 HydrophobicContact CZ3-CG2 4.39Å; V200-V235 HydrophobicContact CG2-CG1 3.99Å; V200-V235 HydrophobicContact CG2-CG2 3.79Å; S217-V235 WeakPolarHBondContact O-CA 3.41Å; V218-V235 HydrophobicContact CG1-CG1 4.44Å; V218-V235 HydrophobicContact CG1-CG2 4.24Å; V235-F237 HydrophobicContact CB-CE2 4Å; V235-F237 HydrophobicContact CB-CZ 4.21Å; V235-F237 HydrophobicContact CG1-CD2 4.24Å; V235-F237 HydrophobicContact CG1-CE1 3.98Å; V235-F237 HydrophobicContact CG1-CE2 3.64Å; V235-F237 HydrophobicContact CG1-CZ 3.5Å; V235-F237 VanDerWaalsContact CG1-CZ 3.5Å
236	A	96.2	Very high	94.5	Very high	4 Å²	4	42.5 Å²	42.5	3%	0.033	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	121.9	173.2	0	0	0	0	0	110.1	C176 Y177 F216 S217	C176-A236 CarbonylContact O-C 3.12Å; C176-A236 WeakPolarHBondContact O-CA 3.44Å; Y177-A236 HydrophobicContact CD1-CB 3.58Å; Y177-A236 HydrophobicContact CE1-CB 3.5Å; Y177-A236 VanDerWaalsContact CE1-CB 3.5Å; F216-A236 CarbonylContact C-O 3.57Å; F216-A236 WeakPolarHBondContact CA-O 3.12Å; F216-A236 WeakPolarHBondContact CB-O 3.49Å; S217-A236 PolarHBondContact N-O 2.95Å; S217-A236 PolarHBondContact O-N 3.12Å
237	F	95.9	Very high	94.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	128.6	174.8	-62.4	-81.4	0	0	0	110.3	M65 V67 F80 I82 K175 C176 L178 L213 F216 V235 F239	M65-F237 HydrophobicContact SD-CZ 4.12Å; V67-F237 HydrophobicContact CG2-CE1 3.99Å; V67-F237 HydrophobicContact CG2-CZ 4.07Å; F80-F237 HydrophobicContact CE2-CD2 4.13Å; F80-F237 HydrophobicContact CZ-CD2 4.24Å; I82-F237 HydrophobicContact CD1-CE1 4.26Å; I82-F237 HydrophobicContact CD1-CE2 4.14Å; I82-F237 HydrophobicContact CD1-CZ 3.83Å; K175-F237 CarbonylContact C-O 3.55Å; K175-F237 WeakPolarHBondContact CA-O 3.43Å; C176-F237 PolarHBondContact N-O 3.06Å; C176-F237 PolarHBondContact O-N 3.11Å; L178-F237 HydrophobicContact CD1-CE2 3.79Å; L178-F237 HydrophobicContact CG-CE2 4.09Å; L213-F237 HydrophobicContact CD1-CB 4.01Å; L213-F237 HydrophobicContact CD1-CD1 4.09Å; L213-F237 HydrophobicContact CD2-CD1 4.4Å; F216-F237 HydrophobicContact CB-CD1 4.14Å; F216-F237 HydrophobicContact CB-CE1 4.48Å; V235-F237 HydrophobicContact CB-CE2 4Å; V235-F237 HydrophobicContact CB-CZ 4.21Å; V235-F237 HydrophobicContact CG1-CD2 4.24Å; V235-F237 HydrophobicContact CG1-CE1 3.98Å; V235-F237 HydrophobicContact CG1-CE2 3.64Å; V235-F237 HydrophobicContact CG1-CZ 3.5Å; V235-F237 VanDerWaalsContact CG1-CZ 3.5Å; F237-F239 HydrophobicContact CB-CD2 4.35Å; F237-F239 HydrophobicContact CB-CE2 3.62Å; F237-F239 HydrophobicContact CB-CZ 3.89Å
238	V	95.3	Very high	94.5	Very high	16 Å²	16	39 Å²	39	10%	0.097	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	105.4	179.7	-170.3	0	0	0	0	110.1	Q174 K175 V214 N215 F461	Q174-V238 CarbonylContact O-C 3.54Å; Q174-V238 WeakPolarHBondContact O-CA 3.34Å; K175-V238 HydrophobicContact CG-CG2 4.21Å; V214-V238 PolarHBondContact N-O 3.32Å; N215-V238 HydrophobicContact CB-CB 4.3Å; N215-V238 HydrophobicContact CB-CG2 4.35Å; N215-V238 WeakPolarHBondContact O-CB 3.32Å; N215-V238 PolarHBondContact O-N 3.47Å; V238-F461 HydrophobicContact CG1-CE1 4.23Å
239	F	95.3	Very high	94.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	131.1	177.3	-60.9	-76.5	0	0	0	111	V70 V73 F80 K173 Q174 C176 L208 F211 K212 L213 F237	V70-F239 HydrophobicContact CB-CE1 4.43Å; V70-F239 HydrophobicContact CG1-CE1 4.05Å; V70-F239 HydrophobicContact CG1-CZ 4Å; V70-F239 HydrophobicContact CG2-CE1 4.11Å; V70-F239 HydrophobicContact CG2-CZ 4.04Å; V73-F239 HydrophobicContact CG2-CD1 4.17Å; V73-F239 HydrophobicContact CG2-CD2 4.29Å; V73-F239 HydrophobicContact CG2-CE1 4.13Å; V73-F239 HydrophobicContact CG2-CE2 4.24Å; V73-F239 HydrophobicContact CG2-CG 4.24Å; V73-F239 HydrophobicContact CG2-CZ 4.17Å; F80-F239 HydrophobicContact CD2-CE2 4.38Å; F80-F239 HydrophobicContact CD2-CZ 4.42Å; K173-F239 CarbonylContact C-O 3.58Å; K173-F239 WeakPolarHBondContact CA-O 3.34Å; Q174-F239 PolarHBondContact N-O 2.96Å; Q174-F239 PolarHBondContact O-N 3.38Å; C176-F239 HydrophobicContact CB-CE2 4.23Å; L208-F239 HydrophobicContact CD1-CE1 4.42Å; F211-F239 HydrophobicContact CB-CB 4.43Å; F211-F239 HydrophobicContact CD1-CB 3.93Å; F211-F239 HydrophobicContact CG-CB 4.46Å; K212-F239 CarbonylContact O-C 3.6Å; K212-F239 WeakPolarHBondContact O-CA 3.45Å; L213-F239 HydrophobicContact CB-CD1 4.28Å; L213-F239 HydrophobicContact CB-CE1 4.21Å; L213-F239 HydrophobicContact CD1-CD1 4.07Å; L213-F239 HydrophobicContact CD1-CE1 3.84Å; L213-F239 HydrophobicContact CD1-CZ 4.24Å; F237-F239 HydrophobicContact CB-CD2 4.35Å; F237-F239 HydrophobicContact CB-CE2 3.62Å; F237-F239 HydrophobicContact CB-CZ 3.89Å
240	E	93	Very high	94	Very high	39 Å²	39	38.1 Å²	38.1	18%	0.182	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	131.2	172.2	-176.4	-176.5	137.1	0	0	110.1	K173 F211 K212 V214	K173-E240 WeakPolarHBondContact CE-OE2 3.23Å; K173-E240 HydrophobicContact CG-CB 3.87Å; K173-E240 HydrophobicContact CG-CG 3.82Å; F211-E240 CarbonylContact C-O 3.58Å; F211-E240 WeakPolarHBondContact CA-O 3.21Å; K212-E240 WeakPolarHBondContact CE-OE1 3.39Å; K212-E240 VanDerWaalsContact CE-OE2 3.23Å; K212-E240 WeakPolarHBondContact CE-OE2 3.28Å; K212-E240 HydrophobicContact CG-CB 4.04Å; K212-E240 PolarHBondContact N-O 3.13Å; K212-E240 IonicContact NZ-OE1 2.73Å; K212-E240 PolarHBondContact NZ-OE1 3.22Å; K212-E240 IonicContact NZ-OE2 3.56Å; K212-E240 PolarHBondContact NZ-OE2 3.08Å; K212-E240 PolarHBondContact O-N 3.22Å; V214-E240 HydrophobicContact CG2-CB 3.39Å; V214-E240 HydrophobicContact CG2-CG 4.43Å; V214-E240 WeakPolarHBondContact CG2-OE2 3.34Å
241	R	93.6	Very high	93.8	Very high	3 Å²	3	37.1 Å²	37.1	1%	0.011	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	138.6	179.7	-173.9	-178.7	-58.3	-76.3	-4.9	111.8	E75 P170 D172 D210 F211 Y243 Y246	E75-R241 IonicContact OE1-CZ 2.78Å; E75-R241 IonicContact OE1-NH1 3.37Å; E75-R241 PolarHBondContact OE1-NH1 3.06Å; E75-R241 IonicContact OE1-NH2 3.91Å; E75-R241 PolarHBondContact OE1-NH2 2.7Å; P170-R241 WeakPolarHBondContact O-CD 3.49Å; D172-R241 PolarHBondContact O-N 3.16Å; D172-R241 VanDerWaalsContact OD1-CD 3.31Å; D172-R241 WeakPolarHBondContact OD1-CD 3.35Å; D172-R241 IonicContact OD1-CZ 2.73Å; D172-R241 IonicContact OD1-NE 3.19Å; D172-R241 PolarHBondContact OD1-NE 3.08Å; D172-R241 IonicContact OD2-CZ 3.36Å; D172-R241 IonicContact OD2-NE 3.16Å; D172-R241 PolarHBondContact OD2-NE 3.41Å; D172-R241 IonicContact OD2-NH2 3.47Å; D172-R241 PolarHBondContact OD2-NH2 3.24Å; D210-R241 WeakPolarHBondContact O-CA 3.32Å; F211-R241 HydrophobicContact CD1-CB 4.16Å; F211-R241 HydrophobicContact CE1-CB 3.94Å; F211-R241 HydrophobicContact CE1-CG 4.4Å; F211-R241 VanDerWaalsContact CZ-CZ 3.48Å; F211-R241 VanDerWaalsContact CZ-NH2 3.29Å; R241-Y243 PolarHBondContact O-N 3.47Å; R241-Y246 HydrophobicContact CG-CE2 4.21Å; R241-Y246 PolarHBondContact NH1-OH 3Å
242	R	92.8	Very high	93.7	Very high	97 Å²	97	40.7 Å²	40.7	37%	0.366	20%	0.198	S	C	.	.			trans	-82.9	93.5	169	-64.5	-179.2	-174.7	-110.5	9	109.6	E207 L208 P209 D210 G244	E207-R242 IonicContact OE2-NH2 3.81Å; E207-R242 PolarHBondContact OE2-NH2 2.87Å; L208-R242 PolarHBondContact O-NE 2.98Å; P209-R242 WeakPolarHBondContact O-CD 3.35Å; D210-R242 PolarHBondContact O-N 3.17Å; R242-G244 VanDerWaalsContact C-N 3.26Å; R242-G244 PolarHBondContact O-N 2.94Å
243	Y	91	Very high	93.5	Very high	113 Å²	113	41.5 Å²	41.5	44%	0.443	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-10.7	-174	61.9	-99.3	0	0	0	115.4	F171 R241 W245 Y246 V247	F171-Y243 AromaticContact CD1-CD1 3.87Å; F171-Y243 HydrophobicContact CD1-CD1 3.87Å; F171-Y243 HydrophobicContact CD1-CD2 4.13Å; F171-Y243 HydrophobicContact CD1-CE1 4.47Å; F171-Y243 AromaticContact CD1-CG 3.67Å; F171-Y243 HydrophobicContact CD1-CG 3.67Å; F171-Y243 HydrophobicContact CE1-CD1 4.21Å; F171-Y243 AromaticContact CE1-CD2 3.6Å; F171-Y243 HydrophobicContact CE1-CD2 3.6Å; F171-Y243 HydrophobicContact CE1-CE2 4.2Å; F171-Y243 AromaticContact CE1-CG 3.59Å; F171-Y243 HydrophobicContact CE1-CG 3.59Å; R241-Y243 PolarHBondContact O-N 3.47Å; Y243-W245 PolarHBondContact O-N 3.28Å; Y243-Y246 PolarHBondContact O-N 2.76Å; Y243-Y246 VanDerWaalsContact O-N 3.09Å; Y243-V247 HydrophobicContact CD2-CG2 3.8Å; Y243-V247 HydrophobicContact CE2-CG2 4.47Å; Y243-V247 PolarHBondContact O-N 3.26Å
244	G	90.9	Very high	93.4	Very high	37 Å²	37	41.5 Å²	41.5	38%	0.381	21%	0.205	S	C	.	.	H	α-helix	trans	-57.6	-42.3	-170.3	0	0	0	0	0	114.1	R242 Y246 V247 L248	R242-G244 VanDerWaalsContact C-N 3.26Å; R242-G244 PolarHBondContact O-N 2.94Å; G244-Y246 PolarHBondContact O-N 3.09Å; G244-V247 PolarHBondContact O-N 3.05Å; G244-L248 WeakPolarHBondContact O-CG 3.16Å; G244-L248 PolarHBondContact O-N 2.92Å; G244-L248 VanDerWaalsContact O-N 3.07Å
245	W	91.6	Very high	93.2	Very high	121 Å²	121	42.7 Å²	42.7	46%	0.458	21%	0.21	S	C	.	.	H	α-helix	trans	-61.8	-43.6	176.6	-179.7	90.7	0	0	0	112.1	Y243 V247 L248 Q249	Y243-W245 PolarHBondContact O-N 3.28Å; W245-V247 VanDerWaalsContact C-N 3.33Å; W245-V247 PolarHBondContact O-N 3.3Å; W245-L248 PolarHBondContact O-N 3.43Å; W245-Q249 HydrophobicContact CD2-CG 4.41Å; W245-Q249 VanDerWaalsContact CZ2-CD 3.49Å; W245-Q249 HydrophobicContact CZ2-CG 4.38Å; W245-Q249 VanDerWaalsContact NE1-CD 3.26Å; W245-Q249 WeakPolarHBondContact O-CB 3.49Å; W245-Q249 PolarHBondContact O-N 3.32Å
246	Y	91.8	Very high	93.1	Very high	32 Å²	32	46.3 Å²	46.3	13%	0.125	23%	0.232	C	C	.	.	H	α-helix	trans	-66.1	-34.8	178.5	-60.9	-80.6	0	0	0	112.5	F169 P170 R241 Y243 G244 G250 Y251	F169-Y246 HydrophobicContact CE1-CD1 4.22Å; F169-Y246 HydrophobicContact CE1-CE1 4.28Å; F169-Y246 HydrophobicContact CE2-CE1 4.05Å; F169-Y246 AromaticContact CE2-CZ 3.97Å; F169-Y246 AromaticContact CZ-CD1 3.67Å; F169-Y246 HydrophobicContact CZ-CD1 3.67Å; F169-Y246 AromaticContact CZ-CE1 3.34Å; F169-Y246 HydrophobicContact CZ-CE1 3.34Å; F169-Y246 HydrophobicContact CZ-CE2 4.44Å; F169-Y246 HydrophobicContact CZ-CG 4.36Å; F169-Y246 AromaticContact CZ-CZ 3.75Å; P170-Y246 HydrophobicContact CB-CD1 4.49Å; P170-Y246 HydrophobicContact CB-CD2 3.71Å; P170-Y246 HydrophobicContact CB-CE2 4.33Å; P170-Y246 HydrophobicContact CB-CG 3.78Å; P170-Y246 HydrophobicContact CG-CD2 4.46Å; P170-Y246 HydrophobicContact CG-CG 4.2Å; R241-Y246 HydrophobicContact CG-CE2 4.21Å; R241-Y246 PolarHBondContact NH1-OH 3Å; Y243-Y246 PolarHBondContact O-N 2.76Å; Y243-Y246 VanDerWaalsContact O-N 3.09Å; G244-Y246 PolarHBondContact O-N 3.09Å; Y246-G250 WeakPolarHBondContact O-CA 3.44Å; Y246-G250 PolarHBondContact O-N 3.29Å; Y246-Y251 PolarHBondContact O-N 3.4Å
247	V	92.3	Very high	93	Very high	31 Å²	31	46.8 Å²	46.8	19%	0.188	24%	0.235	C	C	.	.	I	π-helix	trans	-65.6	-48	174.3	173.5	0	0	0	0	110.7	F171 Y243 G244 W245 Y251 I252 W450	F171-V247 HydrophobicContact CE1-CG2 4.3Å; F171-V247 HydrophobicContact CZ-CG2 4.26Å; Y243-V247 HydrophobicContact CD2-CG2 3.8Å; Y243-V247 HydrophobicContact CE2-CG2 4.47Å; Y243-V247 PolarHBondContact O-N 3.26Å; G244-V247 PolarHBondContact O-N 3.05Å; W245-V247 VanDerWaalsContact C-N 3.33Å; W245-V247 PolarHBondContact O-N 3.3Å; V247-Y251 HydrophobicContact CG2-CD2 4.27Å; V247-Y251 WeakPolarHBondContact O-CB 3.39Å; V247-Y251 PolarHBondContact O-N 3.07Å; V247-Y251 VanDerWaalsContact O-N 3.16Å; V247-I252 HydrophobicContact CG1-CG1 4.5Å; V247-I252 PolarHBondContact O-N 3.16Å; V247-W450 HydrophobicContact CG2-CH2 4.48Å
248	L	91.9	Very high	92.9	Very high	114 Å²	114	47 Å²	47	60%	0.597	24%	0.236	S	C	*	.	I	π-helix	trans	-67.8	-39.4	-178.3	-67.8	177	0	0	0	113.2	G244 W245 I252 P253	G244-L248 WeakPolarHBondContact O-CG 3.16Å; G244-L248 PolarHBondContact O-N 2.92Å; G244-L248 VanDerWaalsContact O-N 3.07Å; W245-L248 PolarHBondContact O-N 3.43Å; L248-I252 HydrophobicContact CD2-CD1 3.65Å; L248-P253 VanDerWaalsContact O-CD 3.3Å; L248-P253 WeakPolarHBondContact O-CD 3.49Å
249	Q	90	Very high	92.8	Very high	113 Å²	113	49 Å²	49	53%	0.528	25%	0.247	S	C	.	.	I	π-helix	trans	-95.5	-27.4	-175.9	-63	-153.8	2.7	0	0	114.3	W245 P253	W245-Q249 HydrophobicContact CD2-CG 4.41Å; W245-Q249 VanDerWaalsContact CZ2-CD 3.49Å; W245-Q249 HydrophobicContact CZ2-CG 4.38Å; W245-Q249 VanDerWaalsContact NE1-CD 3.26Å; W245-Q249 WeakPolarHBondContact O-CB 3.49Å; W245-Q249 PolarHBondContact O-N 3.32Å; Q249-P253 WeakPolarHBondContact O-CG 3.26Å
250	G	90.7	Very high	92.6	Very high	10 Å²	10	52 Å²	52	10%	0.103	26%	0.263	C	S	.	.	I	π-helix	trans	-100.8	-58.9	-179.2	0	0	0	0	0	112.7	Y246 T254	Y246-G250 WeakPolarHBondContact O-CA 3.44Å; Y246-G250 PolarHBondContact O-N 3.29Å; G250-T254 WeakPolarHBondContact O-CB 3.28Å; G250-T254 WeakPolarHBondContact O-CG2 2.97Å; G250-T254 PolarHBondContact O-N 3.18Å; G250-T254 PolarHBondContact O-OG1 3.32Å
251	Y	93.1	Very high	92.6	Very high	3 Å²	3	50.3 Å²	50.3	1%	0.012	26%	0.256	C	S	.	.	I	π-helix	trans	-73.8	-49.9	-171.5	-72.1	-99.9	0	0	0	112.8	P170 F171 Y246 V247 T254 M255 I306 W309 Y449 W450	P170-Y251 HydrophobicContact CG-CE2 4.09Å; F171-Y251 HydrophobicContact CZ-CE2 4.42Å; Y246-Y251 PolarHBondContact O-N 3.4Å; V247-Y251 HydrophobicContact CG2-CD2 4.27Å; V247-Y251 WeakPolarHBondContact O-CB 3.39Å; V247-Y251 PolarHBondContact O-N 3.07Å; V247-Y251 VanDerWaalsContact O-N 3.16Å; Y251-T254 PolarHBondContact O-N 2.75Å; Y251-T254 PolarHBondContact O-OG1 2.77Å; Y251-M255 WeakPolarHBondContact O-CG 3.23Å; Y251-M255 PolarHBondContact O-N 3.25Å; Y251-I306 HydrophobicContact CE2-CD1 4.45Å; Y251-W309 AromaticContact CD1-CD2 3.63Å; Y251-W309 HydrophobicContact CD1-CD2 3.63Å; Y251-W309 AromaticContact CD1-CE2 3.36Å; Y251-W309 HydrophobicContact CD1-CE3 4.03Å; Y251-W309 HydrophobicContact CD1-CG 4.07Å; Y251-W309 AromaticContact CD1-CH2 3.71Å; Y251-W309 HydrophobicContact CD1-CH2 3.71Å; Y251-W309 AromaticContact CD1-CZ2 3.39Å; Y251-W309 HydrophobicContact CD1-CZ2 3.39Å; Y251-W309 HydrophobicContact CD1-CZ3 4.09Å; Y251-W309 AromaticContact CD1-NE1 3.8Å; Y251-W309 HydrophobicContact CE1-CB 4.21Å; Y251-W309 AromaticContact CE1-CD2 3.59Å; Y251-W309 HydrophobicContact CE1-CD2 3.59Å; Y251-W309 AromaticContact CE1-CE2 3.85Å; Y251-W309 AromaticContact CE1-CE3 3.87Å; Y251-W309 HydrophobicContact CE1-CE3 3.87Å; Y251-W309 AromaticContact CE1-CG 3.76Å; Y251-W309 HydrophobicContact CE1-CG 3.76Å; Y251-W309 HydrophobicContact CE1-CH2 4.32Å; Y251-W309 HydrophobicContact CE1-CZ2 4.19Å; Y251-W309 HydrophobicContact CE1-CZ3 4.25Å; Y251-W309 HydrophobicContact CG-CZ2 4.24Å; Y251-Y449 AromaticContact CE1-CE1 3.76Å; Y251-Y449 HydrophobicContact CE1-CE1 3.76Å; Y251-Y449 AromaticContact CE1-CZ 3.97Å; Y251-Y449 PolarHBondContact OH-OH 3.42Å; Y251-W450 AromaticContact CD1-CH2 3.83Å; Y251-W450 HydrophobicContact CD1-CH2 3.83Å; Y251-W450 AromaticContact CD1-CZ2 3.74Å; Y251-W450 HydrophobicContact CD1-CZ2 3.74Å; Y251-W450 HydrophobicContact CE1-CH2 4.09Å; Y251-W450 HydrophobicContact CE1-CZ2 4.2Å; Y251-W450 HydrophobicContact CG-CH2 4.25Å; Y251-W450 HydrophobicContact CG-CZ2 4.39Å
252	I	93.8	Very high	92.5	Very high	82 Å²	82	52.2 Å²	52.2	42%	0.421	26%	0.263	S	S	.	.	H	α-helix	trans	-61.1	-48.3	-176.6	-66.5	179.6	0	0	0	112.4	V247 L248 T254 M255 V256	V247-I252 HydrophobicContact CG1-CG1 4.5Å; V247-I252 PolarHBondContact O-N 3.16Å; L248-I252 HydrophobicContact CD2-CD1 3.65Å; I252-T254 VanDerWaalsContact C-N 3.34Å; I252-T254 PolarHBondContact O-N 3.24Å; I252-M255 WeakPolarHBondContact O-CB 3.4Å; I252-M255 PolarHBondContact O-N 2.78Å; I252-V256 WeakPolarHBondContact O-CG2 3.46Å; I252-V256 PolarHBondContact O-N 2.82Å
253	P	94.1	Very high	92.4	Very high	40 Å²	40	51.4 Å²	51.4	26%	0.26	27%	0.265	S	S	.	.	H	α-helix	trans	-63.5	-39.5	-179.6	-26.7	39.2	0	0	0	112.6	L248 Q249 M255 V256 T257	L248-P253 VanDerWaalsContact O-CD 3.3Å; L248-P253 WeakPolarHBondContact O-CD 3.49Å; Q249-P253 WeakPolarHBondContact O-CG 3.26Å; P253-M255 VanDerWaalsContact C-N 3.34Å; P253-V256 PolarHBondContact O-N 2.83Å; P253-T257 PolarHBondContact O-N 2.81Å; P253-T257 PolarHBondContact O-OG1 3Å
254	T	94.1	Very high	92.3	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.006	25%	0.245	C	C	.	.	H	α-helix	trans	-66.5	-36.8	177.6	54.4	0	0	0	0	111.5	G250 Y251 I252 T257 I258 M286 Q289 W309 M310	G250-T254 WeakPolarHBondContact O-CB 3.28Å; G250-T254 WeakPolarHBondContact O-CG2 2.97Å; G250-T254 PolarHBondContact O-N 3.18Å; G250-T254 PolarHBondContact O-OG1 3.32Å; Y251-T254 PolarHBondContact O-N 2.75Å; Y251-T254 PolarHBondContact O-OG1 2.77Å; I252-T254 VanDerWaalsContact C-N 3.34Å; I252-T254 PolarHBondContact O-N 3.24Å; T254-T257 PolarHBondContact O-N 3.38Å; T254-I258 WeakPolarHBondContact O-CD1 3.17Å; T254-I258 WeakPolarHBondContact O-CG1 2.89Å; T254-I258 PolarHBondContact O-N 2.98Å; T254-I258 VanDerWaalsContact O-N 3.08Å; T254-M286 HydrophobicContact CG2-CE 4.36Å; T254-M286 HydrophobicContact CG2-SD 3.87Å; T254-Q289 HydrophobicContact CG2-CB 4.3Å; T254-W309 PolarHBondContact OG1-NE1 3.11Å; T254-M310 HydrophobicContact CG2-CE 3.84Å; T254-M310 HydrophobicContact CG2-SD 3.53Å; T254-M310 VanDerWaalsContact CG2-SD 3.53Å
255	M	93.6	Very high	92.2	Very high	41 Å²	41	44.8 Å²	44.8	20%	0.202	23%	0.229	C	C	.	.	H	α-helix	trans	-61	-47.6	173.3	-56.9	-119.4	92.2	0	0	111.6	Y251 I252 P253 T257 I258 V259 W309 Y442 N446	Y251-M255 WeakPolarHBondContact O-CG 3.23Å; Y251-M255 PolarHBondContact O-N 3.25Å; I252-M255 WeakPolarHBondContact O-CB 3.4Å; I252-M255 PolarHBondContact O-N 2.78Å; P253-M255 VanDerWaalsContact C-N 3.34Å; M255-T257 VanDerWaalsContact C-N 3.31Å; M255-T257 PolarHBondContact O-N 3.47Å; M255-I258 PolarHBondContact O-N 2.7Å; M255-V259 VanDerWaalsContact O-CG2 3.32Å; M255-V259 WeakPolarHBondContact O-CG2 3.22Å; M255-V259 PolarHBondContact O-N 3.45Å; M255-W309 HydrophobicContact CE-CH2 2.93Å; M255-W309 HydrophobicContact CE-CZ2 3.04Å; M255-W309 HydrophobicContact CE-CZ3 3.86Å; M255-W309 HydrophobicContact CG-CH2 4.18Å; M255-W309 HydrophobicContact CG-CZ2 3.58Å; M255-W309 HydrophobicContact SD-CH2 3.44Å; M255-W309 WeakPolarHBondContact SD-CH2 3.39Å; M255-W309 HydrophobicContact SD-CZ2 3.49Å; M255-W309 WeakPolarHBondContact SD-CZ2 3.44Å; M255-Y442 WeakPolarHBondContact CA-OH 3.5Å; M255-Y442 HydrophobicContact CE-CE1 3.62Å; M255-Y442 HydrophobicContact CE-CE2 3.89Å; M255-Y442 WeakPolarHBondContact CE-OH 3.37Å; M255-N446 WeakPolarHBondContact CE-ND2 3.42Å; M255-N446 WeakPolarHBondContact CE-OD1 3.27Å
256	V	93.9	Very high	92	Very high	76 Å²	76	46.7 Å²	46.7	46%	0.461	24%	0.237	S	C	.	.	H	α-helix	trans	-61.5	-40.8	178.1	173.5	0	0	0	0	110.7	I252 P253 I258 V259 I260	I252-V256 WeakPolarHBondContact O-CG2 3.46Å; I252-V256 PolarHBondContact O-N 2.82Å; P253-V256 PolarHBondContact O-N 2.83Å; V256-I258 VanDerWaalsContact C-N 3.33Å; V256-I258 PolarHBondContact O-N 3.35Å; V256-V259 CarbonylContact O-C 3.49Å; V256-V259 PolarHBondContact O-N 2.95Å; V256-I260 HydrophobicContact CG1-CD1 3.85Å; V256-I260 HydrophobicContact CG1-CG1 4.38Å; V256-I260 VanDerWaalsContact O-CG1 3.3Å; V256-I260 WeakPolarHBondContact O-CG1 3.11Å; V256-I260 PolarHBondContact O-N 3.31Å
257	T	94.3	Very high	91.7	Very high	14 Å²	14	48 Å²	48	9%	0.086	25%	0.246	C	C	.	.	H	α-helix	trans	-60.4	-40.5	176.1	-58.6	0	0	0	0	112.5	P253 T254 M255 I260 S261 S282 A285 I317	P253-T257 PolarHBondContact O-N 2.81Å; P253-T257 PolarHBondContact O-OG1 3Å; T254-T257 PolarHBondContact O-N 3.38Å; M255-T257 VanDerWaalsContact C-N 3.31Å; M255-T257 PolarHBondContact O-N 3.47Å; T257-I260 PolarHBondContact O-N 3.47Å; T257-S261 PolarHBondContact O-N 3.39Å; T257-S261 VanDerWaalsContact O-N 3.12Å; T257-S282 VanDerWaalsContact CG2-O 3.26Å; T257-S282 WeakPolarHBondContact CG2-O 3.28Å; T257-A285 HydrophobicContact CG2-CB 4.09Å; T257-I317 HydrophobicContact CG2-CD1 4.11Å
258	I	93.9	Very high	91.2	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.021	26%	0.258	C	S	.	.	H	α-helix	trans	-69	-37.8	176.8	-66.9	158.6	0	0	0	111.1	T254 M255 V256 I260 S261 G313 F316 I317 Y442	T254-I258 WeakPolarHBondContact O-CD1 3.17Å; T254-I258 WeakPolarHBondContact O-CG1 2.89Å; T254-I258 PolarHBondContact O-N 2.98Å; T254-I258 VanDerWaalsContact O-N 3.08Å; M255-I258 PolarHBondContact O-N 2.7Å; V256-I258 VanDerWaalsContact C-N 3.33Å; V256-I258 PolarHBondContact O-N 3.35Å; I258-I260 VanDerWaalsContact C-N 3.31Å; I258-I260 PolarHBondContact O-N 3.05Å; I258-S261 PolarHBondContact O-N 3.48Å; I258-S261 PolarHBondContact O-OG 2.92Å; I258-G313 VanDerWaalsContact CD1-CA 3.46Å; I258-F316 HydrophobicContact CG2-CB 4.41Å; I258-I317 HydrophobicContact CG1-CD1 4.04Å; I258-I317 HydrophobicContact CG1-CG1 4.09Å; I258-Y442 HydrophobicContact CB-CE2 4.48Å; I258-Y442 HydrophobicContact CD1-CE2 3.85Å; I258-Y442 WeakPolarHBondContact CD1-OH 3.36Å; I258-Y442 HydrophobicContact CG2-CD2 4.23Å; I258-Y442 HydrophobicContact CG2-CE1 4.1Å; I258-Y442 HydrophobicContact CG2-CE2 3.84Å; I258-Y442 HydrophobicContact CG2-CG 4.49Å
259	V	92.8	Very high	90.5	Very high	57 Å²	57	44.3 Å²	44.3	35%	0.345	24%	0.237	S	C	.	.	H	α-helix	trans	-65	-35	172.2	174.7	0	0	0	0	110.9	M255 V256 S261 W262	M255-V259 VanDerWaalsContact O-CG2 3.32Å; M255-V259 WeakPolarHBondContact O-CG2 3.22Å; M255-V259 PolarHBondContact O-N 3.45Å; V256-V259 CarbonylContact O-C 3.49Å; V256-V259 PolarHBondContact O-N 2.95Å; V259-S261 VanDerWaalsContact C-N 3.34Å; V259-S261 PolarHBondContact O-N 2.97Å; V259-W262 HydrophobicContact CB-CZ2 4.08Å; V259-W262 HydrophobicContact CG1-CZ2 3.95Å; V259-W262 HydrophobicContact CG2-CH2 4.16Å; V259-W262 HydrophobicContact CG2-CZ2 3.63Å; V259-W262 PolarHBondContact O-NE1 3.44Å
260	I	92.5	Very high	90.1	Very high	64 Å²	64	50 Å²	50	33%	0.328	25%	0.253	S	S	.	.	H	α-helix	trans	-67.8	-36.5	176.8	-70	164.1	0	0	0	111.1	V256 T257 I258 W262 I263 L278	V256-I260 HydrophobicContact CG1-CD1 3.85Å; V256-I260 HydrophobicContact CG1-CG1 4.38Å; V256-I260 VanDerWaalsContact O-CG1 3.3Å; V256-I260 WeakPolarHBondContact O-CG1 3.11Å; V256-I260 PolarHBondContact O-N 3.31Å; T257-I260 PolarHBondContact O-N 3.47Å; I258-I260 VanDerWaalsContact C-N 3.31Å; I258-I260 PolarHBondContact O-N 3.05Å; I260-W262 VanDerWaalsContact C-N 3.29Å; I260-W262 PolarHBondContact O-N 3.42Å; I260-I263 HydrophobicContact CG1-CD1 4.43Å; I260-I263 WeakPolarHBondContact O-CB 3.37Å; I260-I263 PolarHBondContact O-N 3.43Å; I260-I263 VanDerWaalsContact O-N 3.16Å; I260-L278 HydrophobicContact CG2-CD2 4.29Å
261	S	93	Very high	89.9	Confident	4 Å²	4	51.2 Å²	51.2	3%	0.028	26%	0.263	C	S	.	.	H	α-helix	trans	-63.5	-33.9	-177.5	72.3	0	0	0	0	112.9	T257 I258 V259 S264	T257-S261 PolarHBondContact O-N 3.39Å; T257-S261 VanDerWaalsContact O-N 3.12Å; I258-S261 PolarHBondContact O-N 3.48Å; I258-S261 PolarHBondContact O-OG 2.92Å; V259-S261 VanDerWaalsContact C-N 3.34Å; V259-S261 PolarHBondContact O-N 2.97Å; S261-S264 WeakPolarHBondContact O-CB 3.38Å; S261-S264 PolarHBondContact O-OG 2.92Å
262	W	90.4	Very high	89.5	Confident	43 Å²	43	54.2 Å²	54.2	16%	0.163	28%	0.278	C	S	.	.	H	α-helix	trans	-82.3	-7.3	178.8	68.5	28.3	0	0	0	114.7	V259 I260 S264 F265 F438 P439 Y442	V259-W262 HydrophobicContact CB-CZ2 4.08Å; V259-W262 HydrophobicContact CG1-CZ2 3.95Å; V259-W262 HydrophobicContact CG2-CH2 4.16Å; V259-W262 HydrophobicContact CG2-CZ2 3.63Å; V259-W262 PolarHBondContact O-NE1 3.44Å; I260-W262 VanDerWaalsContact C-N 3.29Å; I260-W262 PolarHBondContact O-N 3.42Å; W262-S264 PolarHBondContact O-N 3.04Å; W262-S264 VanDerWaalsContact O-N 3.17Å; W262-F265 HydrophobicContact CB-CD2 3.58Å; W262-F265 HydrophobicContact CB-CE2 3.42Å; W262-F265 VanDerWaalsContact CB-CE2 3.42Å; W262-F265 HydrophobicContact CB-CZ 4.36Å; W262-F265 WeakPolarHBondContact O-CB 3.48Å; W262-F265 WeakPolarHBondContact O-CD2 3.04Å; W262-F265 WeakPolarHBondContact O-CG 3.43Å; W262-F265 PolarHBondContact O-N 3.48Å; W262-F438 HydrophobicContact CE3-CB 4.24Å; W262-P439 HydrophobicContact CD2-CG 4.03Å; W262-P439 HydrophobicContact CE3-CB 4.24Å; W262-P439 HydrophobicContact CE3-CG 3.64Å; W262-P439 HydrophobicContact CH2-CB 3.74Å; W262-P439 HydrophobicContact CH2-CG 3.89Å; W262-P439 HydrophobicContact CZ2-CB 4.4Å; W262-P439 HydrophobicContact CZ2-CG 4.23Å; W262-P439 HydrophobicContact CZ3-CB 3.69Å; W262-P439 HydrophobicContact CZ3-CG 3.62Å; W262-Y442 HydrophobicContact CH2-CD1 4.24Å; W262-Y442 HydrophobicContact CZ3-CD1 4.15Å
263	I	89.9	Confident	89.4	Confident	79 Å²	79	55.3 Å²	55.3	41%	0.405	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-60.8	-26.6	173.6	-65.9	174.4	0	0	0	109.6	I260 F265 Y266 L267 L278	I260-I263 HydrophobicContact CG1-CD1 4.43Å; I260-I263 WeakPolarHBondContact O-CB 3.37Å; I260-I263 PolarHBondContact O-N 3.43Å; I260-I263 VanDerWaalsContact O-N 3.16Å; I263-F265 PolarHBondContact O-N 3.16Å; I263-Y266 PolarHBondContact O-N 3.46Å; I263-Y266 VanDerWaalsContact O-N 3.07Å; I263-L267 PolarHBondContact O-N 2.99Å; I263-L278 HydrophobicContact CG2-CD1 4.4Å
264	S	89	Confident	89.2	Confident	4 Å²	4	55.2 Å²	55.2	3%	0.028	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-53.5	-31.3	172.8	64.9	0	0	0	0	114.2	S261 W262 Y266 L267 R275	S261-S264 WeakPolarHBondContact O-CB 3.38Å; S261-S264 PolarHBondContact O-OG 2.92Å; W262-S264 PolarHBondContact O-N 3.04Å; W262-S264 VanDerWaalsContact O-N 3.17Å; S264-Y266 VanDerWaalsContact C-N 3.31Å; S264-Y266 PolarHBondContact O-N 3.44Å; S264-L267 PolarHBondContact O-N 2.77Å; S264-R275 PolarHBondContact O-NE 2.8Å; S264-R275 VanDerWaalsContact O-NE 3.08Å
265	F	89.5	Confident	89.1	Confident	8 Å²	8	55.3 Å²	55.3	4%	0.035	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-71.2	-26.4	179.4	-52.7	-35.7	0	0	0	112.9	W262 I263 E323 A435 F438	W262-F265 HydrophobicContact CB-CD2 3.58Å; W262-F265 HydrophobicContact CB-CE2 3.42Å; W262-F265 VanDerWaalsContact CB-CE2 3.42Å; W262-F265 HydrophobicContact CB-CZ 4.36Å; W262-F265 WeakPolarHBondContact O-CB 3.48Å; W262-F265 WeakPolarHBondContact O-CD2 3.04Å; W262-F265 WeakPolarHBondContact O-CG 3.43Å; W262-F265 PolarHBondContact O-N 3.48Å; I263-F265 PolarHBondContact O-N 3.16Å; F265-E323 HydrophobicContact CD1-CG 4.41Å; F265-E323 HydrophobicContact CE1-CB 4.15Å; F265-E323 HydrophobicContact CE1-CG 3.85Å; F265-A435 HydrophobicContact CB-CB 4.1Å; F265-F438 HydrophobicContact CE2-CB 3.82Å; F265-F438 HydrophobicContact CE2-CD1 4.27Å; F265-F438 AromaticContact CE2-CD2 3.58Å; F265-F438 HydrophobicContact CE2-CD2 3.58Å; F265-F438 HydrophobicContact CE2-CE2 4.14Å; F265-F438 AromaticContact CE2-CG 3.64Å; F265-F438 HydrophobicContact CE2-CG 3.64Å; F265-F438 HydrophobicContact CZ-CD1 4.22Å; F265-F438 AromaticContact CZ-CD2 3.63Å; F265-F438 HydrophobicContact CZ-CD2 3.63Å; F265-F438 HydrophobicContact CZ-CE1 4.26Å; F265-F438 AromaticContact CZ-CE2 3.69Å; F265-F438 HydrophobicContact CZ-CE2 3.69Å; F265-F438 AromaticContact CZ-CG 3.9Å; F265-F438 HydrophobicContact CZ-CG 3.9Å; F265-F438 HydrophobicContact CZ-CZ 4.01Å
266	Y	87.4	Confident	89	Confident	161 Å²	161	56 Å²	56	63%	0.631	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-19.4	180	-64.4	-84.1	0	0	0	113.1	I263 S264 A435	I263-Y266 PolarHBondContact O-N 3.46Å; I263-Y266 VanDerWaalsContact O-N 3.07Å; S264-Y266 VanDerWaalsContact C-N 3.31Å; S264-Y266 PolarHBondContact O-N 3.44Å; Y266-A435 HydrophobicContact CE1-CB 4.34Å
267	L	86.4	Confident	88.9	Confident	59 Å²	59	57.8 Å²	57.8	31%	0.309	31%	0.305	S	S	.	.	S	Bend	trans	-68.9	147.5	172.2	-75.4	160.9	0	0	0	109.1	I263 S264 A274 R275 L278	I263-L267 PolarHBondContact O-N 2.99Å; S264-L267 PolarHBondContact O-N 2.77Å; L267-A274 HydrophobicContact CD1-CB 4.48Å; L267-R275 HydrophobicContact CB-CG 4.14Å; L267-R275 HydrophobicContact CD1-CG 4.34Å; L267-R275 PolarHBondContact O-NE 3.05Å; L267-R275 PolarHBondContact O-NH2 3.48Å; L267-L278 HydrophobicContact CD1-CD1 3.54Å
268	G	81.1	Confident	88.8	Confident	44 Å²	44	59.2 Å²	59.2	45%	0.454	31%	0.312	S	S	.	.			trans	-64.6	150	179.4	0	0	0	0	0	113.3	R270 A271 R275	G268-R270 PolarHBondContact O-N 2.92Å; G268-A271 PolarHBondContact O-N 3.29Å; G268-R275 VanDerWaalsContact C-NH2 3.31Å; G268-R275 PolarHBondContact O-NE 2.97Å
269	P	77.4	Confident	88.7	Confident	23 Å²	23	59.1 Å²	59.1	15%	0.149	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-15	-174.9	22.4	-33.3	0	0	0	114.6	R275 V327 P427 E428	P269-R275 VanDerWaalsContact CA-NH2 3.28Å; P269-R275 VanDerWaalsContact N-NH2 3.2Å; P269-V327 HydrophobicContact CB-CG1 4.14Å; P269-P427 HydrophobicContact CB-CB 4.3Å; P269-E428 HydrophobicContact CG-CG 4.04Å
270	R	80.3	Confident	88.7	Confident	232 Å²	232	59.8 Å²	59.8	88%	0.875	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-15.9	177.3	-58.2	-175.4	-170.3	173.4	4.2	113.4	G268 I272	G268-R270 PolarHBondContact O-N 2.92Å; R270-I272 VanDerWaalsContact C-N 3.32Å; R270-I272 PolarHBondContact O-N 3.42Å
271	A	86.9	Confident	88.8	Confident	37 Å²	37	61.1 Å²	61.1	31%	0.306	32%	0.324	S	S	.	.			trans	-91.5	51.3	-176.8	0	0	0	0	0	112.9	G268 P273 A274 R275	G268-A271 PolarHBondContact O-N 3.29Å; A271-P273 VanDerWaalsContact C-CD 3.47Å; A271-A274 HydrophobicContact CB-CB 4.49Å; A271-A274 PolarHBondContact O-N 2.94Å; A271-R275 PolarHBondContact O-N 3.27Å
272	I	86.2	Confident	88.9	Confident	65 Å²	65	61.2 Å²	61.2	33%	0.333	33%	0.325	S	S	.	.	H	α-helix	trans	-53.3	-45.4	-177	-56.7	174	0	0	0	112.7	R270 A274 R275 T276	R270-I272 VanDerWaalsContact C-N 3.32Å; R270-I272 PolarHBondContact O-N 3.42Å; I272-A274 VanDerWaalsContact C-N 3.35Å; I272-A274 PolarHBondContact O-N 2.9Å; I272-R275 PolarHBondContact O-N 2.85Å; I272-T276 PolarHBondContact O-N 2.89Å; I272-T276 PolarHBondContact O-OG1 3.24Å
273	P	89.9	Confident	89.1	Confident	106 Å²	106	61.4 Å²	61.4	69%	0.688	33%	0.329	S	S	*	.	H	α-helix	trans	-60	-41.1	-178.4	-24.5	35.1	0	0	0	113.7	A271 M277	A271-P273 VanDerWaalsContact C-CD 3.47Å; P273-M277 WeakPolarHBondContact O-CB 3.29Å; P273-M277 PolarHBondContact O-N 2.91Å
274	A	91	Very high	89.3	Confident	38 Å²	38	63.1 Å²	63.1	31%	0.314	34%	0.338	S	S	.	.	H	α-helix	trans	-66.9	-42.5	179.4	0	0	0	0	0	111.5	L267 A271 I272 M277 L278	L267-A274 HydrophobicContact CD1-CB 4.48Å; A271-A274 HydrophobicContact CB-CB 4.49Å; A271-A274 PolarHBondContact O-N 2.94Å; I272-A274 VanDerWaalsContact C-N 3.35Å; I272-A274 PolarHBondContact O-N 2.9Å; A274-M277 PolarHBondContact O-N 2.83Å; A274-L278 WeakPolarHBondContact O-CG 3.4Å; A274-L278 PolarHBondContact O-N 2.85Å; A274-L278 VanDerWaalsContact O-N 3.13Å
275	R	90.9	Very high	89.6	Confident	2 Å²	2	64.7 Å²	64.7	1%	0.008	35%	0.351	C	S	.	.	H	α-helix	trans	-63.7	-44.7	177.1	-66.1	-176.8	173.9	-163.4	1.2	112	S264 L267 G268 P269 A271 I272 M277 L278 G279 L324 D431	S264-R275 PolarHBondContact O-NE 2.8Å; S264-R275 VanDerWaalsContact O-NE 3.08Å; L267-R275 HydrophobicContact CB-CG 4.14Å; L267-R275 HydrophobicContact CD1-CG 4.34Å; L267-R275 PolarHBondContact O-NE 3.05Å; L267-R275 PolarHBondContact O-NH2 3.48Å; G268-R275 VanDerWaalsContact C-NH2 3.31Å; G268-R275 PolarHBondContact O-NE 2.97Å; P269-R275 VanDerWaalsContact CA-NH2 3.28Å; P269-R275 VanDerWaalsContact N-NH2 3.2Å; A271-R275 PolarHBondContact O-N 3.27Å; I272-R275 PolarHBondContact O-N 2.85Å; R275-M277 VanDerWaalsContact C-N 3.35Å; R275-M277 PolarHBondContact O-N 2.93Å; R275-L278 PolarHBondContact O-N 2.87Å; R275-G279 PolarHBondContact O-N 2.6Å; R275-G279 VanDerWaalsContact O-N 3.11Å; R275-L324 HydrophobicContact CB-CD1 3.64Å; R275-L324 HydrophobicContact CB-CD2 4.27Å; R275-L324 HydrophobicContact CG-CD1 4.45Å; R275-D431 IonicContact CZ-OD1 2.85Å; R275-D431 IonicContact CZ-OD2 2.6Å; R275-D431 IonicContact NH1-OD1 3.25Å; R275-D431 PolarHBondContact NH1-OD1 3.39Å; R275-D431 IonicContact NH1-OD2 3.15Å; R275-D431 PolarHBondContact NH1-OD2 2.95Å; R275-D431 IonicContact NH2-OD1 2.74Å; R275-D431 PolarHBondContact NH2-OD1 3.01Å; R275-D431 VanDerWaalsContact NH2-OD1 3.16Å; R275-D431 IonicContact NH2-OD2 3.46Å; R275-D431 PolarHBondContact NH2-OD2 3.14Å
276	T	91.3	Very high	89.8	Confident	57 Å²	57	64.3 Å²	64.3	35%	0.35	35%	0.349	S	S	.	.	H	α-helix	trans	-60.7	-44.5	177	-53	0	0	0	0	111.4	I272 L278 G279 V280	I272-T276 PolarHBondContact O-N 2.89Å; I272-T276 PolarHBondContact O-OG1 3.24Å; T276-L278 PolarHBondContact O-N 2.78Å; T276-G279 PolarHBondContact O-N 3.29Å; T276-V280 HydrophobicContact CG2-CG2 4.09Å; T276-V280 WeakPolarHBondContact O-CB 3.46Å; T276-V280 WeakPolarHBondContact O-CG2 3.48Å; T276-V280 PolarHBondContact O-N 2.84Å
277	M	92.8	Very high	90	Very high	113 Å²	113	59.8 Å²	59.8	56%	0.557	34%	0.339	S	S	*	.	H	α-helix	trans	-60.3	-45.3	179.4	-175.4	178.6	69.1	0	0	111.9	P273 A274 R275 N281	P273-M277 WeakPolarHBondContact O-CB 3.29Å; P273-M277 PolarHBondContact O-N 2.91Å; A274-M277 PolarHBondContact O-N 2.83Å; R275-M277 VanDerWaalsContact C-N 3.35Å; R275-M277 PolarHBondContact O-N 2.93Å; M277-N281 WeakPolarHBondContact O-CB 3.4Å; M277-N281 PolarHBondContact O-N 2.86Å; M277-N281 PolarHBondContact O-ND2 2.91Å
278	L	92.5	Very high	90.3	Very high	43 Å²	43	64.3 Å²	64.3	23%	0.225	36%	0.356	C	S	.	.	H	α-helix	trans	-63.5	-45.6	178.5	-69.9	173.3	0	0	0	112.3	I260 I263 L267 A274 R275 T276 S282	I260-L278 HydrophobicContact CG2-CD2 4.29Å; I263-L278 HydrophobicContact CG2-CD1 4.4Å; L267-L278 HydrophobicContact CD1-CD1 3.54Å; A274-L278 WeakPolarHBondContact O-CG 3.4Å; A274-L278 PolarHBondContact O-N 2.85Å; A274-L278 VanDerWaalsContact O-N 3.13Å; R275-L278 PolarHBondContact O-N 2.87Å; T276-L278 PolarHBondContact O-N 2.78Å; L278-S282 WeakPolarHBondContact O-CB 3.24Å; L278-S282 PolarHBondContact O-N 2.82Å; L278-S282 PolarHBondContact O-OG 2.03Å
279	G	91.9	Very high	90.8	Very high	2 Å²	2	64.2 Å²	64.2	2%	0.021	34%	0.344	C	S	.	.	H	α-helix	trans	-67.6	-45.5	-179	0	0	0	0	0	113.2	R275 T276 S282 L283	R275-G279 PolarHBondContact O-N 2.6Å; R275-G279 VanDerWaalsContact O-N 3.11Å; T276-G279 PolarHBondContact O-N 3.29Å; G279-S282 PolarHBondContact O-N 3.46Å; G279-L283 PolarHBondContact O-N 2.85Å
280	V	93.2	Very high	91.5	Very high	72 Å²	72	65.5 Å²	65.5	44%	0.436	35%	0.347	S	S	.	.	H	α-helix	trans	-67.5	-43	-179.8	174.1	0	0	0	0	111.3	T276 S282 L283 L284 L321	T276-V280 HydrophobicContact CG2-CG2 4.09Å; T276-V280 WeakPolarHBondContact O-CB 3.46Å; T276-V280 WeakPolarHBondContact O-CG2 3.48Å; T276-V280 PolarHBondContact O-N 2.84Å; V280-S282 VanDerWaalsContact C-N 3.3Å; V280-S282 PolarHBondContact O-N 2.84Å; V280-L283 PolarHBondContact O-N 3.38Å; V280-L284 PolarHBondContact O-N 3.05Å; V280-L321 HydrophobicContact CG2-CD2 4.36Å
281	N	94.3	Very high	91.9	Very high	91 Å²	91	55.8 Å²	55.8	49%	0.487	32%	0.319	S	S	.	.	H	α-helix	trans	-64.6	-36.4	177.1	-71.9	-7.1	0	0	0	111.8	M277 L284 A285	M277-N281 WeakPolarHBondContact O-CB 3.4Å; M277-N281 PolarHBondContact O-N 2.86Å; M277-N281 PolarHBondContact O-ND2 2.91Å; N281-L284 PolarHBondContact O-N 2.96Å; N281-A285 WeakPolarHBondContact O-CB 3.42Å; N281-A285 PolarHBondContact O-N 3.45Å
282	S	94.8	Very high	92.1	Very high	6 Å²	6	58.1 Å²	58.1	4%	0.042	33%	0.327	C	S	.	.	H	α-helix	trans	-65.2	-42.3	175.3	-58.2	0	0	0	0	111.6	T257 L278 G279 V280 A285 M286	T257-S282 VanDerWaalsContact CG2-O 3.26Å; T257-S282 WeakPolarHBondContact CG2-O 3.28Å; L278-S282 WeakPolarHBondContact O-CB 3.24Å; L278-S282 PolarHBondContact O-N 2.82Å; L278-S282 PolarHBondContact O-OG 2.03Å; G279-S282 PolarHBondContact O-N 3.46Å; V280-S282 VanDerWaalsContact C-N 3.3Å; V280-S282 PolarHBondContact O-N 2.84Å; S282-A285 PolarHBondContact O-N 3.44Å; S282-M286 WeakPolarHBondContact O-CB 3.3Å; S282-M286 PolarHBondContact O-N 3.47Å
283	L	93.9	Very high	92.2	Very high	47 Å²	47	56.2 Å²	56.2	25%	0.246	32%	0.317	C	S	.	.	H	α-helix	trans	-64.9	-41.2	176.6	-175.6	62.6	0	0	0	111.9	G279 V280 M286 T287 M314 I317 L321	G279-L283 PolarHBondContact O-N 2.85Å; V280-L283 PolarHBondContact O-N 3.38Å; L283-M286 PolarHBondContact O-N 2.77Å; L283-T287 WeakPolarHBondContact O-CB 3.29Å; L283-T287 PolarHBondContact O-N 2.83Å; L283-T287 PolarHBondContact O-OG1 3.41Å; L283-M314 HydrophobicContact CD1-CG 3.89Å; L283-I317 HydrophobicContact CB-CG2 3.87Å; L283-I317 HydrophobicContact CD1-CG2 4.24Å; L283-L321 HydrophobicContact CB-CD1 4.42Å; L283-L321 HydrophobicContact CD2-CD1 3.93Å
284	L	94.6	Very high	92.1	Very high	115 Å²	115	54.7 Å²	54.7	60%	0.602	30%	0.302	S	S	*	.	H	α-helix	trans	-62.9	-46.1	175.6	-179.3	62.4	0	0	0	111.4	V280 N281 M286 T287 F288	V280-L284 PolarHBondContact O-N 3.05Å; N281-L284 PolarHBondContact O-N 2.96Å; L284-M286 PolarHBondContact O-N 3Å; L284-T287 PolarHBondContact O-N 3.04Å; L284-F288 WeakPolarHBondContact O-CB 3.27Å; L284-F288 PolarHBondContact O-N 3.2Å
285	A	94.6	Very high	92	Very high	37 Å²	37	62.9 Å²	62.9	31%	0.306	33%	0.325	S	S	.	.	H	α-helix	trans	-59.7	-45.1	176.9	0	0	0	0	0	111.8	T257 N281 S282 T287 F288 Q289	T257-A285 HydrophobicContact CG2-CB 4.09Å; N281-A285 WeakPolarHBondContact O-CB 3.42Å; N281-A285 PolarHBondContact O-N 3.45Å; S282-A285 PolarHBondContact O-N 3.44Å; A285-T287 PolarHBondContact O-N 2.74Å; A285-F288 PolarHBondContact O-N 2.75Å; A285-Q289 WeakPolarHBondContact O-CG 3.33Å; A285-Q289 PolarHBondContact O-N 2.73Å
286	M	93.5	Very high	91.8	Very high	0 Å²	0	67 Å²	67	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-61.8	-42.6	177	-170.8	66.3	178.7	0	0	112.1	T254 S282 L283 L284 Q289 F290 M310 M314 I317	T254-M286 HydrophobicContact CG2-CE 4.36Å; T254-M286 HydrophobicContact CG2-SD 3.87Å; S282-M286 WeakPolarHBondContact O-CB 3.3Å; S282-M286 PolarHBondContact O-N 3.47Å; L283-M286 PolarHBondContact O-N 2.77Å; L284-M286 PolarHBondContact O-N 3Å; M286-Q289 PolarHBondContact O-N 3.31Å; M286-F290 WeakPolarHBondContact O-CB 3.41Å; M286-F290 PolarHBondContact O-N 3.44Å; M286-M310 HydrophobicContact CE-CB 4.12Å; M286-M310 HydrophobicContact CE-CE 3.51Å; M286-M310 HydrophobicContact CE-CG 4.43Å; M286-M310 WeakPolarHBondContact CE-O 3.44Å; M286-M310 HydrophobicContact CE-SD 3.5Å; M286-M310 WeakPolarHBondContact CE-SD 3.46Å; M286-M310 HydrophobicContact CG-CE 4.38Å; M286-M310 HydrophobicContact SD-CE 3.72Å; M286-M310 HydrophobicContact SD-SD 4.26Å; M286-M314 HydrophobicContact CG-CB 4.47Å; M286-I317 HydrophobicContact CB-CD1 3.8Å; M286-I317 HydrophobicContact CG-CD1 4.03Å
287	T	92.7	Very high	91.7	Very high	66 Å²	66	64.9 Å²	64.9	41%	0.405	33%	0.334	S	S	.	.	H	α-helix	trans	-66.7	-39.2	178.4	-54	0	0	0	0	111.5	L283 L284 A285 F290 G291	L283-T287 WeakPolarHBondContact O-CB 3.29Å; L283-T287 PolarHBondContact O-N 2.83Å; L283-T287 PolarHBondContact O-OG1 3.41Å; L284-T287 PolarHBondContact O-N 3.04Å; A285-T287 PolarHBondContact O-N 2.74Å; T287-F290 PolarHBondContact O-N 3.08Å; T287-G291 PolarHBondContact O-N 3.05Å
288	F	92.9	Very high	91.6	Very high	155 Å²	155	60.4 Å²	60.4	68%	0.68	31%	0.313	S	S	*	.	H	α-helix	trans	-64.2	-45.8	175.6	-179.1	-95.5	0	0	0	111.9	L284 A285 F290 G291 N292	L284-F288 WeakPolarHBondContact O-CB 3.27Å; L284-F288 PolarHBondContact O-N 3.2Å; A285-F288 PolarHBondContact O-N 2.75Å; F288-F290 VanDerWaalsContact C-N 3.34Å; F288-F290 PolarHBondContact O-N 3.24Å; F288-G291 PolarHBondContact O-N 3.45Å; F288-N292 PolarHBondContact O-N 2.97Å
289	Q	92	Very high	91.4	Very high	41 Å²	41	70.2 Å²	70.2	19%	0.192	35%	0.347	C	S	.	.	H	α-helix	trans	-60.6	-42.4	176.1	-75.7	164.9	-16.8	0	0	111.9	T254 A285 M286 G291 N292 I293 M310	T254-Q289 HydrophobicContact CG2-CB 4.3Å; A285-Q289 WeakPolarHBondContact O-CG 3.33Å; A285-Q289 PolarHBondContact O-N 2.73Å; M286-Q289 PolarHBondContact O-N 3.31Å; Q289-G291 VanDerWaalsContact C-N 3.34Å; Q289-G291 PolarHBondContact O-N 3.4Å; Q289-N292 PolarHBondContact O-N 3.33Å; Q289-I293 WeakPolarHBondContact O-CG1 3.44Å; Q289-I293 PolarHBondContact O-N 2.94Å; Q289-M310 HydrophobicContact CB-CE 4.01Å
290	F	90.6	Very high	91.3	Very high	51 Å²	51	72 Å²	72	22%	0.224	36%	0.357	C	S	.	.	H	α-helix	trans	-59.8	-44.4	175.4	-176	-118.3	0	0	0	111.8	M286 T287 F288 N292 I293 I294 M310	M286-F290 WeakPolarHBondContact O-CB 3.41Å; M286-F290 PolarHBondContact O-N 3.44Å; T287-F290 PolarHBondContact O-N 3.08Å; F288-F290 VanDerWaalsContact C-N 3.34Å; F288-F290 PolarHBondContact O-N 3.24Å; F290-N292 VanDerWaalsContact C-N 3.34Å; F290-N292 PolarHBondContact O-N 3.23Å; F290-I293 PolarHBondContact O-N 2.82Å; F290-I294 HydrophobicContact CD1-CD1 3.62Å; F290-I294 HydrophobicContact CD2-CD1 4.03Å; F290-I294 HydrophobicContact CE1-CD1 3.24Å; F290-I294 HydrophobicContact CE2-CD1 3.69Å; F290-I294 HydrophobicContact CE2-CG1 4.32Å; F290-I294 HydrophobicContact CG-CD1 4.02Å; F290-I294 HydrophobicContact CZ-CD1 3.3Å; F290-I294 HydrophobicContact CZ-CG1 4.35Å; F290-I294 WeakPolarHBondContact O-CG1 3.4Å; F290-I294 PolarHBondContact O-N 2.65Å; F290-I294 VanDerWaalsContact O-N 3.08Å; F290-M310 HydrophobicContact CB-CE 3.68Å; F290-M310 HydrophobicContact CD2-CB 3.6Å; F290-M310 HydrophobicContact CD2-CE 4.37Å; F290-M310 HydrophobicContact CD2-CG 3.94Å; F290-M310 HydrophobicContact CE2-CB 4.04Å
291	G	90	Very high	91.2	Very high	28 Å²	28	74.7 Å²	74.7	29%	0.289	38%	0.379	S	S	.	.	H	α-helix	trans	-62.2	-37.9	175.4	0	0	0	0	0	113.4	T287 F288 Q289 R295	T287-G291 PolarHBondContact O-N 3.05Å; F288-G291 PolarHBondContact O-N 3.45Å; Q289-G291 VanDerWaalsContact C-N 3.34Å; Q289-G291 PolarHBondContact O-N 3.4Å; G291-R295 VanDerWaalsContact O-CG 3.3Å; G291-R295 WeakPolarHBondContact O-CG 3.32Å; G291-R295 PolarHBondContact O-N 3.02Å
292	N	90.3	Very high	91.1	Very high	86 Å²	86	73.8 Å²	73.8	46%	0.46	37%	0.369	S	S	.	.	H	α-helix	trans	-65.8	-44.5	177.2	-167.3	27.1	0	0	0	111.8	F288 Q289 F290 R295 N296	F288-N292 PolarHBondContact O-N 2.97Å; Q289-N292 PolarHBondContact O-N 3.33Å; F290-N292 VanDerWaalsContact C-N 3.34Å; F290-N292 PolarHBondContact O-N 3.23Å; N292-R295 PolarHBondContact O-N 3.01Å; N292-N296 PolarHBondContact O-ND2 2.9Å
293	I	88.9	Confident	91	Very high	24 Å²	24	78 Å²	78	12%	0.123	40%	0.395	C	S	.	.	H	α-helix	trans	-62.8	-46	178.9	-69.5	162.5	0	0	0	111.2	Q289 F290 R295 N296 L297 I306 M310	Q289-I293 WeakPolarHBondContact O-CG1 3.44Å; Q289-I293 PolarHBondContact O-N 2.94Å; F290-I293 PolarHBondContact O-N 2.82Å; I293-R295 VanDerWaalsContact C-N 3.27Å; I293-R295 PolarHBondContact O-N 3.34Å; I293-N296 PolarHBondContact O-N 2.9Å; I293-L297 HydrophobicContact CG2-CD1 3.7Å; I293-L297 WeakPolarHBondContact O-CD1 3.32Å; I293-I306 HydrophobicContact CD1-CD1 3.95Å; I293-I306 HydrophobicContact CD1-CG1 4.39Å; I293-I306 HydrophobicContact CG1-CD1 4.38Å; I293-I306 HydrophobicContact CG2-CD1 3.69Å; I293-I306 HydrophobicContact CG2-CG1 4.25Å; I293-I306 HydrophobicContact CG2-CG2 4.4Å; I293-M310 HydrophobicContact CD1-CE 4.34Å; I293-M310 HydrophobicContact CD1-CG 4.41Å; I293-M310 HydrophobicContact CD1-SD 4.14Å
294	I	88.1	Confident	90.9	Very high	74 Å²	74	76.5 Å²	76.5	38%	0.379	39%	0.386	S	S	.	.	H	α-helix	trans	-63.1	-32.8	-178.2	-73.1	166.9	0	0	0	112.4	F290 N296 L297	F290-I294 HydrophobicContact CD1-CD1 3.62Å; F290-I294 HydrophobicContact CD2-CD1 4.03Å; F290-I294 HydrophobicContact CE1-CD1 3.24Å; F290-I294 HydrophobicContact CE2-CD1 3.69Å; F290-I294 HydrophobicContact CE2-CG1 4.32Å; F290-I294 HydrophobicContact CG-CD1 4.02Å; F290-I294 HydrophobicContact CZ-CD1 3.3Å; F290-I294 HydrophobicContact CZ-CG1 4.35Å; F290-I294 WeakPolarHBondContact O-CG1 3.4Å; F290-I294 PolarHBondContact O-N 2.65Å; F290-I294 VanDerWaalsContact O-N 3.08Å; I294-N296 VanDerWaalsContact C-N 3.28Å; I294-N296 PolarHBondContact O-N 2.8Å; I294-L297 PolarHBondContact O-N 2.88Å; I294-L297 VanDerWaalsContact O-O 3.12Å
295	R	87.8	Confident	90.8	Very high	210 Å²	210	71 Å²	71	79%	0.792	36%	0.358	S	S	*	.	H	α-helix	trans	-69.7	-27.1	-179.1	-74.4	173.7	-177.7	-168.3	0.9	113.2	G291 N292 I293 L297	G291-R295 VanDerWaalsContact O-CG 3.3Å; G291-R295 WeakPolarHBondContact O-CG 3.32Å; G291-R295 PolarHBondContact O-N 3.02Å; N292-R295 PolarHBondContact O-N 3.01Å; I293-R295 VanDerWaalsContact C-N 3.27Å; I293-R295 PolarHBondContact O-N 3.34Å; R295-L297 VanDerWaalsContact C-N 3.33Å
296	N	87.1	Confident	90.7	Very high	89 Å²	89	69.4 Å²	69.4	48%	0.476	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	1.7	-178.2	-61.5	-22.6	0	0	0	112.7	N292 I293 I294	N292-N296 PolarHBondContact O-ND2 2.9Å; I293-N296 PolarHBondContact O-N 2.9Å; I294-N296 VanDerWaalsContact C-N 3.28Å; I294-N296 PolarHBondContact O-N 2.8Å
297	L	88.6	Confident	90.7	Very high	13 Å²	13	70.3 Å²	70.3	7%	0.068	35%	0.349	C	S	.	.	S	Bend	trans	-121.8	147.1	-176.6	-78.6	160.7	0	0	0	110.7	F169 I293 I294 R295	F169-L297 HydrophobicContact CD1-CD1 4.02Å; F169-L297 HydrophobicContact CD1-CD2 4.21Å; F169-L297 HydrophobicContact CD2-CD2 3.91Å; F169-L297 HydrophobicContact CE1-CD1 3.57Å; F169-L297 HydrophobicContact CE1-CD2 3.91Å; F169-L297 HydrophobicContact CE1-CG 4.25Å; F169-L297 HydrophobicContact CE2-CD2 3.57Å; F169-L297 HydrophobicContact CG-CD2 4.2Å; F169-L297 HydrophobicContact CZ-CD1 3.95Å; F169-L297 HydrophobicContact CZ-CD2 3.56Å; F169-L297 HydrophobicContact CZ-CG 4.13Å; I293-L297 HydrophobicContact CG2-CD1 3.7Å; I293-L297 WeakPolarHBondContact O-CD1 3.32Å; I294-L297 PolarHBondContact O-N 2.88Å; I294-L297 VanDerWaalsContact O-O 3.12Å; R295-L297 VanDerWaalsContact C-N 3.33Å
298	P	90.7	Very high	90.7	Very high	18 Å²	18	69.5 Å²	69.5	12%	0.117	34%	0.343	C	S	.	.			trans	-64.2	152.9	173.1	30.1	-37.9	0	0	0	110.5	E75 L166 V300	E75-P298 HydrophobicContact CB-CG 4.08Å; E75-P298 WeakPolarHBondContact O-CB 3.5Å; E75-P298 VanDerWaalsContact O-CG 3.24Å; E75-P298 WeakPolarHBondContact O-CG 3.38Å; L166-P298 HydrophobicContact CD1-CG 3.39Å; P298-V300 PolarHBondContact O-N 3.49Å
299	R	89.1	Confident	90.8	Very high	250 Å²	250	62.3 Å²	62.3	94%	0.943	31%	0.312	S	S	*	.			trans	-75.9	112.8	175.4	-63.8	-179.8	-178.6	179.8	1.1	109
300	V	90.2	Very high	90.8	Very high	38 Å²	38	60.4 Å²	60.4	23%	0.23	30%	0.303	C	S	.	.			trans	-119.6	148.3	174.4	-64.4	0	0	0	0	110	L166 P298 Y302 K304	L166-V300 HydrophobicContact CD1-CG1 4.24Å; P298-V300 PolarHBondContact O-N 3.49Å; V300-Y302 HydrophobicContact CB-CD1 4.3Å; V300-Y302 HydrophobicContact CB-CE1 3.91Å; V300-Y302 HydrophobicContact CB-CE2 4.17Å; V300-Y302 HydrophobicContact CG1-CE1 4.21Å; V300-Y302 HydrophobicContact CG2-CD2 4.23Å; V300-Y302 HydrophobicContact CG2-CE2 3.91Å; V300-K304 HydrophobicContact CG2-CD 3.85Å; V300-K304 HydrophobicContact CG2-CG 4.07Å
301	S	91.2	Very high	91	Very high	129 Å²	129	62.6 Å²	62.6	90%	0.902	32%	0.316	S	S	*	.	S	Bend	trans	-81.9	-18.1	-176.7	55.3	0	0	0	0	114
302	Y	92.1	Very high	91.2	Very high	72 Å²	72	62.2 Å²	62.2	28%	0.282	31%	0.31	S	S	.	.	S	Bend	trans	-94.5	158.6	-179.3	54	-99.8	0	0	0	112.5	M164 L166 K167 V300 K304	M164-Y302 PolarHBondContact O-OH 2.86Å; L166-Y302 HydrophobicContact CB-CE2 4.15Å; L166-Y302 PolarHBondContact N-OH 3.31Å; K167-Y302 HydrophobicContact CB-CE2 4.48Å; K167-Y302 HydrophobicContact CG-CD2 3.63Å; K167-Y302 HydrophobicContact CG-CE2 3.76Å; K167-Y302 HydrophobicContact CG-CG 4.3Å; V300-Y302 HydrophobicContact CB-CD1 4.3Å; V300-Y302 HydrophobicContact CB-CE1 3.91Å; V300-Y302 HydrophobicContact CB-CE2 4.17Å; V300-Y302 HydrophobicContact CG1-CE1 4.21Å; V300-Y302 HydrophobicContact CG2-CD2 4.23Å; V300-Y302 HydrophobicContact CG2-CE2 3.91Å; Y302-K304 HydrophobicContact CE2-CG 4.41Å
303	V	91.3	Very high	91.3	Very high	94 Å²	94	58.1 Å²	58.1	57%	0.57	29%	0.288	S	S	*	.	P	Polyproline II helix	trans	-75.3	128.9	179.3	-176.9	0	0	0	0	110.4	D307 V308	V303-D307 HydrophobicContact CG1-CB 4.18Å; V303-V308 HydrophobicContact CG1-CG2 3.62Å
304	K	92.9	Very high	91.6	Very high	16 Å²	16	59.5 Å²	59.5	7%	0.07	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-95.1	157.1	174.9	-57	178.5	-64.4	-54.6	0	110.9	L166 K167 V300 Y302 I306 D307 V308	L166-K304 HydrophobicContact CB-CD 4.18Å; L166-K304 WeakPolarHBondContact O-CG 3.44Å; K167-K304 CarbonylContact O-C 3.58Å; K167-K304 WeakPolarHBondContact O-CA 3.38Å; V300-K304 HydrophobicContact CG2-CD 3.85Å; V300-K304 HydrophobicContact CG2-CG 4.07Å; Y302-K304 HydrophobicContact CE2-CG 4.41Å; K304-I306 VanDerWaalsContact C-N 3.28Å; K304-I306 HydrophobicContact CB-CG2 4.14Å; K304-I306 PolarHBondContact O-N 2.83Å; K304-D307 WeakPolarHBondContact CB-OD2 3.41Å; K304-D307 PolarHBondContact N-OD2 2.84Å; K304-D307 VanDerWaalsContact NZ-CG 3.32Å; K304-D307 IonicContact NZ-OD1 3.38Å; K304-D307 PolarHBondContact NZ-OD1 3.43Å; K304-D307 VanDerWaalsContact NZ-OD1 3.16Å; K304-D307 IonicContact NZ-OD2 3.53Å; K304-D307 PolarHBondContact NZ-OD2 3.39Å; K304-D307 WeakPolarHBondContact O-CA 3.39Å; K304-D307 WeakPolarHBondContact O-CB 3.23Å; K304-D307 PolarHBondContact O-N 2.89Å; K304-V308 PolarHBondContact O-N 3.27Å; K304-V308 VanDerWaalsContact O-N 3.17Å
305	A	92.8	Very high	91.9	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-54.5	-44.6	176.6	0	0	0	0	0	112.3	K167 D307 V308 W309 Y449 Y453	K167-A305 PolarHBondContact O-N 3.48Å; A305-D307 VanDerWaalsContact C-N 3.27Å; A305-D307 PolarHBondContact O-N 2.79Å; A305-V308 WeakPolarHBondContact O-CB 3.29Å; A305-V308 PolarHBondContact O-N 2.97Å; A305-V308 VanDerWaalsContact O-N 3.15Å; A305-W309 PolarHBondContact O-N 2.99Å; A305-W309 VanDerWaalsContact O-N 3.09Å; A305-Y449 PolarHBondContact O-OH 2.9Å; A305-Y453 HydrophobicContact CB-CD1 3.62Å; A305-Y453 HydrophobicContact CB-CD2 4.34Å; A305-Y453 HydrophobicContact CB-CE1 3.32Å; A305-Y453 HydrophobicContact CB-CE2 4.1Å; A305-Y453 HydrophobicContact CB-CG 4.13Å
306	I	92.6	Very high	92.2	Very high	4 Å²	4	52.2 Å²	52.2	2%	0.021	27%	0.27	C	S	.	.	H	α-helix	trans	-61.1	-32	174.9	-161.2	158.5	0	0	0	113.4	F169 Y251 I293 K304 W309 M310	F169-I306 HydrophobicContact CD1-CB 4.19Å; F169-I306 HydrophobicContact CD1-CD1 4.43Å; F169-I306 HydrophobicContact CD1-CG2 3.74Å; F169-I306 HydrophobicContact CE1-CD1 3.98Å; F169-I306 HydrophobicContact CE1-CG2 4.2Å; F169-I306 PolarHBondContact O-N 2.83Å; Y251-I306 HydrophobicContact CE2-CD1 4.45Å; I293-I306 HydrophobicContact CD1-CD1 3.95Å; I293-I306 HydrophobicContact CD1-CG1 4.39Å; I293-I306 HydrophobicContact CG1-CD1 4.38Å; I293-I306 HydrophobicContact CG2-CD1 3.69Å; I293-I306 HydrophobicContact CG2-CG1 4.25Å; I293-I306 HydrophobicContact CG2-CG2 4.4Å; K304-I306 VanDerWaalsContact C-N 3.28Å; K304-I306 HydrophobicContact CB-CG2 4.14Å; K304-I306 PolarHBondContact O-N 2.83Å; I306-W309 WeakPolarHBondContact O-CB 3.36Å; I306-W309 PolarHBondContact O-N 2.86Å; I306-M310 HydrophobicContact CG1-CG 4.42Å; I306-M310 WeakPolarHBondContact O-CB 3.47Å; I306-M310 VanDerWaalsContact O-CG 3.23Å; I306-M310 WeakPolarHBondContact O-CG 3.16Å; I306-M310 PolarHBondContact O-N 2.81Å
307	D	92.9	Very high	92.6	Very high	19 Å²	19	48 Å²	48	10%	0.102	25%	0.247	C	C	.	.	H	α-helix	trans	-69.1	-40.3	177	-57.2	-31.6	0	0	0	110.2	V303 K304 A305 W309 M310 L311	V303-D307 HydrophobicContact CG1-CB 4.18Å; K304-D307 WeakPolarHBondContact CB-OD2 3.41Å; K304-D307 PolarHBondContact N-OD2 2.84Å; K304-D307 VanDerWaalsContact NZ-CG 3.32Å; K304-D307 IonicContact NZ-OD1 3.38Å; K304-D307 PolarHBondContact NZ-OD1 3.43Å; K304-D307 VanDerWaalsContact NZ-OD1 3.16Å; K304-D307 IonicContact NZ-OD2 3.53Å; K304-D307 PolarHBondContact NZ-OD2 3.39Å; K304-D307 WeakPolarHBondContact O-CA 3.39Å; K304-D307 WeakPolarHBondContact O-CB 3.23Å; K304-D307 PolarHBondContact O-N 2.89Å; A305-D307 VanDerWaalsContact C-N 3.27Å; A305-D307 PolarHBondContact O-N 2.79Å; D307-W309 VanDerWaalsContact C-N 3.32Å; D307-W309 PolarHBondContact O-N 3.18Å; D307-M310 PolarHBondContact O-N 3Å; D307-L311 VanDerWaalsContact O-CB 3.29Å; D307-L311 WeakPolarHBondContact O-CB 3.41Å; D307-L311 VanDerWaalsContact O-CG 3.23Å; D307-L311 WeakPolarHBondContact O-CG 3.36Å; D307-L311 PolarHBondContact O-N 2.97Å
308	V	93.8	Very high	92.8	Very high	48 Å²	48	52.8 Å²	52.8	29%	0.291	27%	0.267	S	S	.	.	H	α-helix	trans	-59.9	-44.5	175.2	178.5	0	0	0	0	110.7	V303 K304 A305 S312	V303-V308 HydrophobicContact CG1-CG2 3.62Å; K304-V308 PolarHBondContact O-N 3.27Å; K304-V308 VanDerWaalsContact O-N 3.17Å; A305-V308 WeakPolarHBondContact O-CB 3.29Å; A305-V308 PolarHBondContact O-N 2.97Å; A305-V308 VanDerWaalsContact O-N 3.15Å; V308-S312 WeakPolarHBondContact O-CB 3.19Å; V308-S312 PolarHBondContact O-N 2.9Å; V308-S312 PolarHBondContact O-OG 2.9Å
309	W	93.8	Very high	92.9	Very high	4 Å²	4	55 Å²	55	2%	0.015	28%	0.278	C	S	.	.	H	α-helix	trans	-59.7	-48.4	175.3	179.7	-94.2	0	0	0	112.8	Y251 T254 M255 A305 I306 D307 S312 G313 F445 Y449 W450	Y251-W309 AromaticContact CD1-CD2 3.63Å; Y251-W309 HydrophobicContact CD1-CD2 3.63Å; Y251-W309 AromaticContact CD1-CE2 3.36Å; Y251-W309 HydrophobicContact CD1-CE3 4.03Å; Y251-W309 HydrophobicContact CD1-CG 4.07Å; Y251-W309 AromaticContact CD1-CH2 3.71Å; Y251-W309 HydrophobicContact CD1-CH2 3.71Å; Y251-W309 AromaticContact CD1-CZ2 3.39Å; Y251-W309 HydrophobicContact CD1-CZ2 3.39Å; Y251-W309 HydrophobicContact CD1-CZ3 4.09Å; Y251-W309 AromaticContact CD1-NE1 3.8Å; Y251-W309 HydrophobicContact CE1-CB 4.21Å; Y251-W309 AromaticContact CE1-CD2 3.59Å; Y251-W309 HydrophobicContact CE1-CD2 3.59Å; Y251-W309 AromaticContact CE1-CE2 3.85Å; Y251-W309 AromaticContact CE1-CE3 3.87Å; Y251-W309 HydrophobicContact CE1-CE3 3.87Å; Y251-W309 AromaticContact CE1-CG 3.76Å; Y251-W309 HydrophobicContact CE1-CG 3.76Å; Y251-W309 HydrophobicContact CE1-CH2 4.32Å; Y251-W309 HydrophobicContact CE1-CZ2 4.19Å; Y251-W309 HydrophobicContact CE1-CZ3 4.25Å; Y251-W309 HydrophobicContact CG-CZ2 4.24Å; T254-W309 PolarHBondContact OG1-NE1 3.11Å; M255-W309 HydrophobicContact CE-CH2 2.93Å; M255-W309 HydrophobicContact CE-CZ2 3.04Å; M255-W309 HydrophobicContact CE-CZ3 3.86Å; M255-W309 HydrophobicContact CG-CH2 4.18Å; M255-W309 HydrophobicContact CG-CZ2 3.58Å; M255-W309 HydrophobicContact SD-CH2 3.44Å; M255-W309 WeakPolarHBondContact SD-CH2 3.39Å; M255-W309 HydrophobicContact SD-CZ2 3.49Å; M255-W309 WeakPolarHBondContact SD-CZ2 3.44Å; A305-W309 PolarHBondContact O-N 2.99Å; A305-W309 VanDerWaalsContact O-N 3.09Å; I306-W309 WeakPolarHBondContact O-CB 3.36Å; I306-W309 PolarHBondContact O-N 2.86Å; D307-W309 VanDerWaalsContact C-N 3.32Å; D307-W309 PolarHBondContact O-N 3.18Å; W309-S312 PolarHBondContact O-OG 2.91Å; W309-G313 PolarHBondContact O-N 3.1Å; W309-F445 AromaticContact CE3-CE1 3.7Å; W309-F445 HydrophobicContact CE3-CE1 3.7Å; W309-F445 HydrophobicContact CE3-CZ 4.11Å; W309-F445 AromaticContact CZ3-CE1 3.98Å; W309-F445 HydrophobicContact CZ3-CE1 3.98Å; W309-Y449 HydrophobicContact CB-CE2 4.08Å; W309-Y449 AromaticContact CE3-CD1 3.65Å; W309-Y449 HydrophobicContact CE3-CD1 3.65Å; W309-Y449 HydrophobicContact CE3-CD2 4.15Å; W309-Y449 AromaticContact CE3-CE1 3.62Å; W309-Y449 HydrophobicContact CE3-CE1 3.62Å; W309-Y449 HydrophobicContact CE3-CE2 4.11Å; W309-Y449 AromaticContact CE3-CG 3.94Å; W309-Y449 HydrophobicContact CE3-CG 3.94Å; W309-Y449 AromaticContact CE3-CZ 3.87Å; W309-Y449 AromaticContact CZ3-CD1 3.63Å; W309-Y449 HydrophobicContact CZ3-CD1 3.63Å; W309-Y449 AromaticContact CZ3-CE1 3.9Å; W309-Y449 HydrophobicContact CZ3-CE1 3.9Å; W309-Y449 HydrophobicContact CZ3-CG 4.12Å; W309-W450 AromaticContact CH2-CZ2 3.89Å; W309-W450 HydrophobicContact CH2-CZ2 3.89Å; W309-W450 AromaticContact CH2-NE1 3.8Å; W309-W450 HydrophobicContact CZ3-CZ2 4.19Å; W309-W450 AromaticContact CZ3-NE1 3.79Å
310	M	93.2	Very high	93.1	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-69.7	-39.6	-176.7	-67.5	-61	-69.4	0	0	112	T254 M286 Q289 F290 I293 I306 D307 M314	T254-M310 HydrophobicContact CG2-CE 3.84Å; T254-M310 HydrophobicContact CG2-SD 3.53Å; T254-M310 VanDerWaalsContact CG2-SD 3.53Å; M286-M310 HydrophobicContact CE-CB 4.12Å; M286-M310 HydrophobicContact CE-CE 3.51Å; M286-M310 HydrophobicContact CE-CG 4.43Å; M286-M310 WeakPolarHBondContact CE-O 3.44Å; M286-M310 HydrophobicContact CE-SD 3.5Å; M286-M310 WeakPolarHBondContact CE-SD 3.46Å; M286-M310 HydrophobicContact CG-CE 4.38Å; M286-M310 HydrophobicContact SD-CE 3.72Å; M286-M310 HydrophobicContact SD-SD 4.26Å; Q289-M310 HydrophobicContact CB-CE 4.01Å; F290-M310 HydrophobicContact CB-CE 3.68Å; F290-M310 HydrophobicContact CD2-CB 3.6Å; F290-M310 HydrophobicContact CD2-CE 4.37Å; F290-M310 HydrophobicContact CD2-CG 3.94Å; F290-M310 HydrophobicContact CE2-CB 4.04Å; I293-M310 HydrophobicContact CD1-CE 4.34Å; I293-M310 HydrophobicContact CD1-CG 4.41Å; I293-M310 HydrophobicContact CD1-SD 4.14Å; I306-M310 HydrophobicContact CG1-CG 4.42Å; I306-M310 WeakPolarHBondContact O-CB 3.47Å; I306-M310 VanDerWaalsContact O-CG 3.23Å; I306-M310 WeakPolarHBondContact O-CG 3.16Å; I306-M310 PolarHBondContact O-N 2.81Å; D307-M310 PolarHBondContact O-N 3Å; M310-M314 WeakPolarHBondContact O-CB 3.39Å; M310-M314 PolarHBondContact O-N 2.89Å
311	L	93.7	Very high	93.2	Very high	96 Å²	96	43 Å²	43	50%	0.503	23%	0.231	S	C	.	.	H	α-helix	trans	-68.5	-40.9	177.1	-70.8	173.4	0	0	0	112.1	D307 M314 L315	D307-L311 VanDerWaalsContact O-CB 3.29Å; D307-L311 WeakPolarHBondContact O-CB 3.41Å; D307-L311 VanDerWaalsContact O-CG 3.23Å; D307-L311 WeakPolarHBondContact O-CG 3.36Å; D307-L311 PolarHBondContact O-N 2.97Å; L311-M314 PolarHBondContact O-N 2.98Å; L311-L315 WeakPolarHBondContact O-CB 3.17Å; L311-L315 PolarHBondContact O-N 3.07Å
312	S	93.8	Very high	93.2	Very high	21 Å²	21	41.2 Å²	41.2	15%	0.147	21%	0.211	C	C	.	.	H	α-helix	trans	-65.6	-43.3	175.6	70.4	0	0	0	0	111.1	V308 W309 M314 L315 F316 F445	V308-S312 WeakPolarHBondContact O-CB 3.19Å; V308-S312 PolarHBondContact O-N 2.9Å; V308-S312 PolarHBondContact O-OG 2.9Å; W309-S312 PolarHBondContact O-OG 2.91Å; S312-M314 PolarHBondContact O-N 3.28Å; S312-L315 WeakPolarHBondContact O-CB 3.13Å; S312-L315 PolarHBondContact O-N 3.02Å; S312-L315 VanDerWaalsContact O-N 3.16Å; S312-F316 WeakPolarHBondContact O-CD2 3.3Å; S312-F316 PolarHBondContact O-N 3.33Å; S312-F445 VanDerWaalsContact OG-CE1 3.3Å; S312-F445 WeakPolarHBondContact OG-CE1 3.47Å; S312-F445 WeakPolarHBondContact OG-CE2 3.09Å; S312-F445 WeakPolarHBondContact OG-CZ 3.36Å
313	G	93.9	Very high	93.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-60.3	-43.8	175.4	0	0	0	0	0	113	I258 W309 L315 F316 I317	I258-G313 VanDerWaalsContact CD1-CA 3.46Å; W309-G313 PolarHBondContact O-N 3.1Å; G313-L315 VanDerWaalsContact C-N 3.31Å; G313-L315 PolarHBondContact O-N 2.84Å; G313-F316 PolarHBondContact O-N 3.29Å; G313-I317 WeakPolarHBondContact O-CG1 3.32Å; G313-I317 PolarHBondContact O-N 3.46Å
314	M	93.7	Very high	93.1	Very high	52 Å²	52	34.8 Å²	34.8	26%	0.256	18%	0.178	S	C	.	.	H	α-helix	trans	-61.8	-39.8	174.3	-172.3	178.9	-67.1	0	0	111.7	L283 M286 M310 L311 S312 I317 F318	L283-M314 HydrophobicContact CD1-CG 3.89Å; M286-M314 HydrophobicContact CG-CB 4.47Å; M310-M314 WeakPolarHBondContact O-CB 3.39Å; M310-M314 PolarHBondContact O-N 2.89Å; L311-M314 PolarHBondContact O-N 2.98Å; S312-M314 PolarHBondContact O-N 3.28Å; M314-I317 PolarHBondContact O-N 2.85Å; M314-F318 VanDerWaalsContact O-CB 3.3Å; M314-F318 WeakPolarHBondContact O-CB 3.47Å; M314-F318 PolarHBondContact O-N 3.01Å
315	L	94.3	Very high	93	Very high	99 Å²	99	37 Å²	37	52%	0.518	20%	0.199	S	C	.	.	H	α-helix	trans	-63.1	-43.2	175.2	-179.5	64.6	0	0	0	111.8	L311 S312 G313 F318 L319	L311-L315 WeakPolarHBondContact O-CB 3.17Å; L311-L315 PolarHBondContact O-N 3.07Å; S312-L315 WeakPolarHBondContact O-CB 3.13Å; S312-L315 PolarHBondContact O-N 3.02Å; S312-L315 VanDerWaalsContact O-N 3.16Å; G313-L315 VanDerWaalsContact C-N 3.31Å; G313-L315 PolarHBondContact O-N 2.84Å; L315-F318 PolarHBondContact O-N 2.97Å; L315-L319 HydrophobicContact CD1-CD1 4.48Å; L315-L319 HydrophobicContact CD1-CG 4.37Å; L315-L319 HydrophobicContact CG-CD1 4.22Å; L315-L319 WeakPolarHBondContact O-CB 3.44Å; L315-L319 VanDerWaalsContact O-CG 3.27Å; L315-L319 WeakPolarHBondContact O-CG 3.3Å; L315-L319 PolarHBondContact O-N 3.44Å
316	F	94.3	Very high	92.7	Very high	33 Å²	33	39.8 Å²	39.8	15%	0.145	22%	0.216	C	C	.	.	H	α-helix	trans	-61.6	-44.9	176.2	-80	-70.3	0	0	0	112.3	I258 S312 G313 F318 L319 S320 F438 A441 Y442 F445	I258-F316 HydrophobicContact CG2-CB 4.41Å; S312-F316 WeakPolarHBondContact O-CD2 3.3Å; S312-F316 PolarHBondContact O-N 3.33Å; G313-F316 PolarHBondContact O-N 3.29Å; F316-F318 VanDerWaalsContact C-N 3.35Å; F316-F318 PolarHBondContact O-N 2.77Å; F316-L319 PolarHBondContact O-N 2.96Å; F316-S320 PolarHBondContact O-N 2.83Å; F316-F438 HydrophobicContact CD1-CD1 4.34Å; F316-A441 HydrophobicContact CE1-CB 4.06Å; F316-Y442 AromaticContact CD2-CD2 3.94Å; F316-Y442 HydrophobicContact CD2-CD2 3.94Å; F316-Y442 HydrophobicContact CD2-CE2 4.39Å; F316-Y442 AromaticContact CE2-CD2 3.89Å; F316-Y442 HydrophobicContact CE2-CD2 3.89Å; F316-Y442 HydrophobicContact CG-CD2 4.47Å; F316-Y442 HydrophobicContact CZ-CD2 4.34Å; F316-F445 HydrophobicContact CE2-CB 4.25Å; F316-F445 HydrophobicContact CE2-CD1 4.43Å; F316-F445 HydrophobicContact CE2-CG 4.21Å; F316-F445 HydrophobicContact CZ-CB 4.29Å
317	I	94.9	Very high	92.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-63.7	-42.8	176.2	-63.6	168.8	0	0	0	110.3	T257 I258 L283 M286 G313 M314 L319 S320 L321	T257-I317 HydrophobicContact CG2-CD1 4.11Å; I258-I317 HydrophobicContact CG1-CD1 4.04Å; I258-I317 HydrophobicContact CG1-CG1 4.09Å; L283-I317 HydrophobicContact CB-CG2 3.87Å; L283-I317 HydrophobicContact CD1-CG2 4.24Å; M286-I317 HydrophobicContact CB-CD1 3.8Å; M286-I317 HydrophobicContact CG-CD1 4.03Å; G313-I317 WeakPolarHBondContact O-CG1 3.32Å; G313-I317 PolarHBondContact O-N 3.46Å; M314-I317 PolarHBondContact O-N 2.85Å; I317-L319 VanDerWaalsContact C-N 3.35Å; I317-L319 PolarHBondContact O-N 2.88Å; I317-S320 WeakPolarHBondContact O-CB 3.24Å; I317-S320 PolarHBondContact O-N 3.04Å; I317-S320 VanDerWaalsContact O-N 3.15Å; I317-S320 PolarHBondContact O-OG 2.78Å; I317-L321 PolarHBondContact O-N 2.81Å; I317-L321 VanDerWaalsContact O-N 3.09Å
318	F	94.1	Very high	92.1	Very high	113 Å²	113	39.8 Å²	39.8	50%	0.496	22%	0.221	S	C	.	.	H	α-helix	trans	-61.4	-42.2	176.8	178.7	-98.7	0	0	0	112.3	M314 L315 F316 S320 L321 L322	M314-F318 VanDerWaalsContact O-CB 3.3Å; M314-F318 WeakPolarHBondContact O-CB 3.47Å; M314-F318 PolarHBondContact O-N 3.01Å; L315-F318 PolarHBondContact O-N 2.97Å; F316-F318 VanDerWaalsContact C-N 3.35Å; F316-F318 PolarHBondContact O-N 2.77Å; F318-S320 VanDerWaalsContact C-N 3.28Å; F318-S320 PolarHBondContact O-N 2.89Å; F318-L321 WeakPolarHBondContact O-CB 3.45Å; F318-L321 PolarHBondContact O-N 3.18Å; F318-L321 VanDerWaalsContact O-N 3.16Å; F318-L322 PolarHBondContact O-N 2.82Å
319	L	93.3	Very high	91.7	Very high	65 Å²	65	42.1 Å²	42.1	34%	0.34	23%	0.227	S	C	.	.	H	α-helix	trans	-63.8	-33.6	175.3	-71.9	173.5	0	0	0	112.1	L315 F316 I317 L322 E323 F438	L315-L319 HydrophobicContact CD1-CD1 4.48Å; L315-L319 HydrophobicContact CD1-CG 4.37Å; L315-L319 HydrophobicContact CG-CD1 4.22Å; L315-L319 WeakPolarHBondContact O-CB 3.44Å; L315-L319 VanDerWaalsContact O-CG 3.27Å; L315-L319 WeakPolarHBondContact O-CG 3.3Å; L315-L319 PolarHBondContact O-N 3.44Å; F316-L319 PolarHBondContact O-N 2.96Å; I317-L319 VanDerWaalsContact C-N 3.35Å; I317-L319 PolarHBondContact O-N 2.88Å; L319-L322 HydrophobicContact CD2-CD2 4.39Å; L319-L322 PolarHBondContact O-N 2.73Å; L319-E323 PolarHBondContact O-N 2.81Å; L319-F438 HydrophobicContact CB-CE1 3.67Å; L319-F438 HydrophobicContact CB-CZ 3.81Å
320	S	92	Very high	91.2	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.014	23%	0.234	C	C	.	.	H	α-helix	trans	-66.6	-35.8	173.1	80.2	0	0	0	0	112.6	F316 I317 F318 E323 L324	F316-S320 PolarHBondContact O-N 2.83Å; I317-S320 WeakPolarHBondContact O-CB 3.24Å; I317-S320 PolarHBondContact O-N 3.04Å; I317-S320 VanDerWaalsContact O-N 3.15Å; I317-S320 PolarHBondContact O-OG 2.78Å; F318-S320 VanDerWaalsContact C-N 3.28Å; F318-S320 PolarHBondContact O-N 2.89Å; S320-E323 WeakPolarHBondContact O-CB 3.45Å; S320-E323 PolarHBondContact O-N 2.82Å; S320-L324 PolarHBondContact O-N 2.89Å; S320-L324 VanDerWaalsContact O-N 3.15Å
321	L	92.4	Very high	90.5	Very high	34 Å²	34	44.9 Å²	44.9	18%	0.178	25%	0.245	C	C	.	.	H	α-helix	trans	-71.2	-34.4	173.6	-73.4	173.4	0	0	0	112.2	V280 L283 I317 F318 E323 L324 A325	V280-L321 HydrophobicContact CG2-CD2 4.36Å; L283-L321 HydrophobicContact CB-CD1 4.42Å; L283-L321 HydrophobicContact CD2-CD1 3.93Å; I317-L321 PolarHBondContact O-N 2.81Å; I317-L321 VanDerWaalsContact O-N 3.09Å; F318-L321 WeakPolarHBondContact O-CB 3.45Å; F318-L321 PolarHBondContact O-N 3.18Å; F318-L321 VanDerWaalsContact O-N 3.16Å; L321-E323 VanDerWaalsContact C-N 3.34Å; L321-L324 HydrophobicContact CD2-CD2 4.46Å; L321-L324 WeakPolarHBondContact O-CB 3.3Å; L321-L324 PolarHBondContact O-N 2.9Å; L321-A325 PolarHBondContact O-N 2.85Å
322	L	92.1	Very high	89.7	Confident	92 Å²	92	48.4 Å²	48.4	48%	0.482	25%	0.251	S	S	.	.	H	α-helix	trans	-66.1	-40	174.8	-172.5	69.2	0	0	0	111.2	F318 L319 A325 V326	F318-L322 PolarHBondContact O-N 2.82Å; L319-L322 HydrophobicContact CD2-CD2 4.39Å; L319-L322 PolarHBondContact O-N 2.73Å; L322-A325 WeakPolarHBondContact O-CB 3.38Å; L322-A325 PolarHBondContact O-N 2.83Å; L322-V326 WeakPolarHBondContact O-CG2 3.39Å; L322-V326 PolarHBondContact O-N 2.8Å
323	E	91.2	Very high	88.7	Confident	14 Å²	14	50 Å²	50	7%	0.065	26%	0.259	C	S	.	.	H	α-helix	trans	-56.7	-49.4	172.5	-171	-74.1	156.5	0	0	110.9	F265 L319 S320 L321 A325 V326 V327 S434	F265-E323 HydrophobicContact CD1-CG 4.41Å; F265-E323 HydrophobicContact CE1-CB 4.15Å; F265-E323 HydrophobicContact CE1-CG 3.85Å; L319-E323 PolarHBondContact O-N 2.81Å; S320-E323 WeakPolarHBondContact O-CB 3.45Å; S320-E323 PolarHBondContact O-N 2.82Å; L321-E323 VanDerWaalsContact C-N 3.34Å; E323-A325 VanDerWaalsContact C-N 3.28Å; E323-A325 PolarHBondContact O-N 3.48Å; E323-V326 CarbonylContact O-C 3.51Å; E323-V326 WeakPolarHBondContact O-CA 3.28Å; E323-V326 WeakPolarHBondContact O-CB 3.4Å; E323-V326 PolarHBondContact O-N 2.84Å; E323-V327 PolarHBondContact O-N 2.85Å; E323-V327 WeakPolarHBondContact OE1-CG2 3.45Å; E323-S434 WeakPolarHBondContact CG-OG 3.46Å
324	L	89.3	Confident	87.4	Confident	16 Å²	16	55.7 Å²	55.7	8%	0.084	29%	0.285	C	S	.	.	H	α-helix	trans	-57.3	-41.1	175.8	173.3	64.1	0	0	0	112.3	R275 S320 L321 V326 V327 G328	R275-L324 HydrophobicContact CB-CD1 3.64Å; R275-L324 HydrophobicContact CB-CD2 4.27Å; R275-L324 HydrophobicContact CG-CD1 4.45Å; S320-L324 PolarHBondContact O-N 2.89Å; S320-L324 VanDerWaalsContact O-N 3.15Å; L321-L324 HydrophobicContact CD2-CD2 4.46Å; L321-L324 WeakPolarHBondContact O-CB 3.3Å; L321-L324 PolarHBondContact O-N 2.9Å; L324-V326 VanDerWaalsContact C-N 3.31Å; L324-V326 PolarHBondContact O-N 2.95Å; L324-V327 PolarHBondContact O-N 3.04Å; L324-G328 PolarHBondContact O-N 3.47Å
325	A	90.1	Very high	85.8	Confident	62 Å²	62	56.5 Å²	56.5	51%	0.512	31%	0.307	S	S	.	.	H	α-helix	trans	-63.9	-38	176.9	0	0	0	0	0	111.8	L321 L322 E323 F329	L321-A325 PolarHBondContact O-N 2.85Å; L322-A325 WeakPolarHBondContact O-CB 3.38Å; L322-A325 PolarHBondContact O-N 2.83Å; E323-A325 VanDerWaalsContact C-N 3.28Å; E323-A325 PolarHBondContact O-N 3.48Å; A325-F329 WeakPolarHBondContact O-CB 3.25Å; A325-F329 PolarHBondContact O-N 2.72Å
326	V	88.3	Confident	83.9	Confident	60 Å²	60	56.9 Å²	56.9	36%	0.364	31%	0.309	S	S	.	.	H	α-helix	trans	-67	-48.6	175.2	174	0	0	0	0	110.8	L322 E323 L324 G328 F329 M330	L322-V326 WeakPolarHBondContact O-CG2 3.39Å; L322-V326 PolarHBondContact O-N 2.8Å; E323-V326 CarbonylContact O-C 3.51Å; E323-V326 WeakPolarHBondContact O-CA 3.28Å; E323-V326 WeakPolarHBondContact O-CB 3.4Å; E323-V326 PolarHBondContact O-N 2.84Å; L324-V326 VanDerWaalsContact C-N 3.31Å; L324-V326 PolarHBondContact O-N 2.95Å; V326-G328 PolarHBondContact O-N 2.85Å; V326-F329 PolarHBondContact O-N 3.13Å; V326-M330 HydrophobicContact CG1-CE 4.14Å; V326-M330 HydrophobicContact CG1-SD 4.31Å; V326-M330 WeakPolarHBondContact O-CG 3.35Å; V326-M330 PolarHBondContact O-N 2.84Å
327	V	86.9	Confident	81.7	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.006	34%	0.335	C	S	.	.	H	α-helix	trans	-62.2	-42.8	177.6	175.1	0	0	0	0	111.6	P269 E323 L324 F329 M330 S331 P427 V430	P269-V327 HydrophobicContact CB-CG1 4.14Å; E323-V327 PolarHBondContact O-N 2.85Å; E323-V327 WeakPolarHBondContact OE1-CG2 3.45Å; L324-V327 PolarHBondContact O-N 3.04Å; V327-F329 VanDerWaalsContact C-N 3.34Å; V327-F329 PolarHBondContact O-N 3.48Å; V327-M330 HydrophobicContact CB-CE 4.46Å; V327-M330 HydrophobicContact CG2-CE 4.05Å; V327-M330 PolarHBondContact O-N 2.84Å; V327-S331 WeakPolarHBondContact O-CB 3.13Å; V327-S331 PolarHBondContact O-N 2.81Å; V327-P427 HydrophobicContact CG1-CB 4.06Å; V327-V430 HydrophobicContact CG2-CB 4.46Å; V327-V430 HydrophobicContact CG2-CG1 4.15Å
328	G	86.1	Confident	79.8	Confident	21 Å²	21	66 Å²	66	22%	0.216	37%	0.371	C	S	.	.	H	α-helix	trans	-61.2	-40.4	175.2	0	0	0	0	0	112.7	L324 V326 R332	L324-G328 PolarHBondContact O-N 3.47Å; V326-G328 PolarHBondContact O-N 2.85Å; G328-R332 WeakPolarHBondContact O-CB 3.46Å; G328-R332 PolarHBondContact O-N 2.55Å; G328-R332 VanDerWaalsContact O-N 3.09Å
329	F	84.8	Confident	77.9	Confident	97 Å²	97	70.1 Å²	70.1	43%	0.425	39%	0.389	S	S	.	.	H	α-helix	trans	-67.2	-40.1	175.5	179.9	-101.1	0	0	0	112.6	A325 V326 V327 N333	A325-F329 WeakPolarHBondContact O-CB 3.25Å; A325-F329 PolarHBondContact O-N 2.72Å; V326-F329 PolarHBondContact O-N 3.13Å; V327-F329 VanDerWaalsContact C-N 3.34Å; V327-F329 PolarHBondContact O-N 3.48Å; F329-N333 WeakPolarHBondContact CD1-ND2 3.3Å; F329-N333 WeakPolarHBondContact CE1-ND2 3.4Å; F329-N333 VanDerWaalsContact CZ-ND2 3.28Å; F329-N333 WeakPolarHBondContact CZ-ND2 3.31Å; F329-N333 VanDerWaalsContact O-CG 3.27Å; F329-N333 PolarHBondContact O-N 3.22Å; F329-N333 PolarHBondContact O-ND2 2.76Å
330	M	82.4	Confident	75.8	Confident	29 Å²	29	73.3 Å²	73.3	14%	0.143	41%	0.411	C	S	.	.	H	α-helix	trans	-66.6	-47.6	176.4	-69	-173.4	-53.4	0	0	111.5	V326 V327 R332 N333 E334 P427 V430	V326-M330 HydrophobicContact CG1-CE 4.14Å; V326-M330 HydrophobicContact CG1-SD 4.31Å; V326-M330 WeakPolarHBondContact O-CG 3.35Å; V326-M330 PolarHBondContact O-N 2.84Å; V327-M330 HydrophobicContact CB-CE 4.46Å; V327-M330 HydrophobicContact CG2-CE 4.05Å; V327-M330 PolarHBondContact O-N 2.84Å; M330-R332 VanDerWaalsContact C-N 3.28Å; M330-R332 PolarHBondContact O-N 2.66Å; M330-N333 PolarHBondContact O-N 2.8Å; M330-E334 PolarHBondContact O-N 3.5Å; M330-E334 VanDerWaalsContact O-N 3.08Å; M330-P427 HydrophobicContact CE-CB 4.19Å; M330-V430 HydrophobicContact CE-CB 4.01Å; M330-V430 HydrophobicContact CE-CG1 4.4Å; M330-V430 HydrophobicContact CE-CG2 3.68Å; M330-V430 HydrophobicContact SD-CG2 4.3Å
331	S	79.2	Confident	73.6	Confident	36 Å²	36	82.6 Å²	82.6	25%	0.252	45%	0.451	S	S	.	.	H	α-helix	trans	-57.6	-40.2	177.5	179.8	0	0	0	0	112	V327 N333 E334	V327-S331 WeakPolarHBondContact O-CB 3.13Å; V327-S331 PolarHBondContact O-N 2.81Å; S331-N333 VanDerWaalsContact C-N 3.31Å; S331-N333 PolarHBondContact O-N 2.74Å; S331-E334 PolarHBondContact O-N 3.17Å
332	R	77.3	Confident	71.3	Confident	169 Å²	169	90.8 Å²	90.8	64%	0.638	49%	0.485	S	S	*	.	H	α-helix	trans	-63.6	-35.4	174.7	-170.2	175.5	72.6	168.8	0.8	112.9	G328 M330 L336	G328-R332 WeakPolarHBondContact O-CB 3.46Å; G328-R332 PolarHBondContact O-N 2.55Å; G328-R332 VanDerWaalsContact O-N 3.09Å; M330-R332 VanDerWaalsContact C-N 3.28Å; M330-R332 PolarHBondContact O-N 2.66Å; R332-L336 WeakPolarHBondContact O-CD1 3.41Å
333	N	72.3	Confident	68.7	Low	56 Å²	56	97.9 Å²	97.9	30%	0.299	51%	0.506	S	S	.	.	H	α-helix	trans	-78.8	-25.7	-178	-70	-26.6	0	0	0	113.2	F329 M330 S331 G335 L336	F329-N333 WeakPolarHBondContact CD1-ND2 3.3Å; F329-N333 WeakPolarHBondContact CE1-ND2 3.4Å; F329-N333 VanDerWaalsContact CZ-ND2 3.28Å; F329-N333 WeakPolarHBondContact CZ-ND2 3.31Å; F329-N333 VanDerWaalsContact O-CG 3.27Å; F329-N333 PolarHBondContact O-N 3.22Å; F329-N333 PolarHBondContact O-ND2 2.76Å; M330-N333 PolarHBondContact O-N 2.8Å; S331-N333 VanDerWaalsContact C-N 3.31Å; S331-N333 PolarHBondContact O-N 2.74Å; N333-G335 PolarHBondContact O-N 3.48Å; N333-L336 PolarHBondContact O-N 2.82Å
334	E	67.5	Low	66.3	Low	119 Å²	119	106.6 Å²	106.6	56%	0.556	54%	0.543	S	S	*	.	H	α-helix	trans	-66.1	-26.2	172.3	-69.5	-176.5	154.1	0	0	112.4	M330 S331 L336 P427	M330-E334 PolarHBondContact O-N 3.5Å; M330-E334 VanDerWaalsContact O-N 3.08Å; S331-E334 PolarHBondContact O-N 3.17Å; E334-L336 VanDerWaalsContact C-N 3.34Å; E334-P427 WeakPolarHBondContact OE1-CD 3.38Å
335	G	59.3	Low	64	Low	69 Å²	69	117 Å²	117	71%	0.711	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-6.1	175.8	0	0	0	0	0	115.6	N333	N333-G335 PolarHBondContact O-N 3.48Å
336	L	53.5	Low	61.5	Low	106 Å²	106	121.9 Å²	121.9	56%	0.555	59%	0.593	S	S	*	*	S	Bend	trans	-89.4	131.3	175.9	-89.2	90.9	0	0	0	110.9	R332 N333 E334	R332-L336 WeakPolarHBondContact O-CD1 3.41Å; N333-L336 PolarHBondContact O-N 2.82Å; E334-L336 VanDerWaalsContact C-N 3.34Å
337	P	49.4	Very low	59.1	Low	108 Å²	108	127.3 Å²	127.3	70%	0.701	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-58.5	141.3	176.8	23.3	-31.8	0	0	0	110.5	K339	P337-K339 PolarHBondContact O-N 2.93Å; P337-K339 VanDerWaalsContact O-N 3.14Å
338	P	54.4	Low	56.7	Low	117 Å²	117	133.5 Å²	133.5	76%	0.76	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-58.2	123.6	-177.4	21.1	-30	0	0	0	109.4	V340	P338-V340 PolarHBondContact O-N 3.1Å
339	K	55.2	Low	54.2	Low	199 Å²	199	139.4 Å²	139.4	87%	0.865	68%	0.675	S	S	*	*			trans	-60.7	101.9	171.6	-75.1	-170.2	176.1	-175.3	0	107.9	P337 K341	P337-K339 PolarHBondContact O-N 2.93Å; P337-K339 VanDerWaalsContact O-N 3.14Å; K339-K341 PolarHBondContact O-N 2.88Å
340	V	47.7	Very low	51.7	Low	132 Å²	132	141.9 Å²	141.9	80%	0.8	69%	0.692	S	S	*	*			trans	-49.4	113.5	171	179.1	0	0	0	0	107.4	P338 K342	P338-V340 PolarHBondContact O-N 3.1Å; V340-K342 PolarHBondContact O-N 2.9Å
341	K	45.5	Very low	49.3	Very low	198 Å²	198	149.6 Å²	149.6	86%	0.861	73%	0.728	S	S	*	*			trans	-60	110.1	172.9	-82	177.6	177.1	171.6	0	107	K339 R343	K339-K341 PolarHBondContact O-N 2.88Å; K341-R343 PolarHBondContact O-N 2.7Å
342	K	44.5	Very low	46.9	Very low	205 Å²	205	151.5 Å²	151.5	89%	0.891	75%	0.753	S	S	*	*			trans	-58.9	105.5	162.7	-82	-171	176.3	-176	0	107	V340 K344	V340-K342 PolarHBondContact O-N 2.9Å; K342-K344 PolarHBondContact O-N 3.36Å; K342-K344 VanDerWaalsContact O-N 3.1Å
343	R	38.8	Very low	44.6	Very low	242 Å²	242	152.4 Å²	152.4	91%	0.913	76%	0.762	S	S	*	*			trans	-56.6	110.5	170.2	-176	173.7	151.7	174.2	-6.6	106.5	K341 R345	K341-R343 PolarHBondContact O-N 2.7Å; R343-R345 PolarHBondContact O-N 2.79Å; R343-R345 VanDerWaalsContact O-N 3.14Å
344	K	40.1	Very low	42.4	Very low	196 Å²	196	154.2 Å²	154.2	85%	0.852	78%	0.779	S	S	*	*			trans	-57.7	117.4	171.3	-98.3	-174.5	168.8	-168.2	0	106.9	K342 Q346	K342-K344 PolarHBondContact O-N 3.36Å; K342-K344 VanDerWaalsContact O-N 3.1Å; K344-Q346 PolarHBondContact O-N 2.95Å
345	R	40.4	Very low	40.5	Very low	235 Å²	235	157.5 Å²	157.5	89%	0.887	79%	0.786	S	S	*	*			trans	-59	125.3	158.8	-108.4	179.7	175.1	-175.1	-3	106.1	R343 E347	R343-R345 PolarHBondContact O-N 2.79Å; R343-R345 VanDerWaalsContact O-N 3.14Å; R345-E347 PolarHBondContact O-N 3.25Å
346	Q	38.1	Very low	39.1	Very low	164 Å²	164	162.5 Å²	162.5	77%	0.766	79%	0.788	S	S	*	*			trans	-79.5	106.5	169.4	-166.4	166.2	-24.2	0	0	104.6	K344	K344-Q346 PolarHBondContact O-N 2.95Å
347	E	38.5	Very low	38	Very low	175 Å²	175	162.8 Å²	162.8	82%	0.818	80%	0.799	S	S	*	*			trans	-79.5	107.3	164.1	-80.2	166.6	165.4	0	0	105.6	R345	R345-E347 PolarHBondContact O-N 3.25Å
348	D	36.1	Very low	37	Very low	130 Å²	130	165 Å²	165	70%	0.695	80%	0.802	S	S	*	*			trans	-106.7	107.5	160.1	-73	-34.2	0	0	0	105.3
349	D	33.1	Very low	36	Very low	145 Å²	145	167.1 Å²	167.1	78%	0.775	80%	0.802	S	S	*	*			trans	-69.4	146.9	158.5	-59.4	-40.6	0	0	0	106.8
350	D	32.3	Very low	34.7	Very low	149 Å²	149	163.6 Å²	163.6	80%	0.797	80%	0.797	S	S	*	*			cis	-169.8	175.9	31.1	-130.4	-25.1	0	0	0	109.4
351	E	32.3	Very low	34.1	Very low	192 Å²	192	162.5 Å²	162.5	90%	0.897	80%	0.795	S	S	*	*			trans	99.3	110.4	165.8	-59.9	-86.2	154.7	0	0	118.1
352	G	29.4	Very low	34	Very low	75 Å²	75	158.7 Å²	158.7	77%	0.773	79%	0.791	S	S	*	*			trans	142.7	72.2	153.9	0	0	0	0	0	118
353	F	28.8	Very low	33.3	Very low	189 Å²	189	155.6 Å²	155.6	83%	0.829	78%	0.779	S	S	*	*			trans	9	130.8	142.5	-142.4	-98.9	0	0	0	119.5
354	S	25.1	Very low	32.9	Very low	93 Å²	93	151.5 Å²	151.5	65%	0.65	78%	0.775	S	S	*	*				148.5	113.3	125.9	177.8	0	0	0	0	116.3
355	W	29	Very low	32.5	Very low	189 Å²	189	148.8 Å²	148.8	72%	0.716	77%	0.765	S	S	*	*			trans	52.9	128.2	143.3	-63.5	111.7	0	0	0	123.6
356	K	28.8	Very low	32.3	Very low	173 Å²	173	144 Å²	144	75%	0.752	76%	0.757	S	S	*	*			trans	55.5	112.3	132.9	-81	161.9	177.2	178.2	0	119.3
357	S	30.7	Very low	32	Very low	112 Å²	112	145.6 Å²	145.6	78%	0.783	76%	0.756	S	S	*	*				158.6	105.7	118.7	57.2	0	0	0	0	107.5
358	M	28.2	Very low	31.6	Very low	156 Å²	156	143.1 Å²	143.1	77%	0.768	74%	0.744	S	S	*	*				62.7	125.5	79.2	-164.6	83.6	141	0	0	112.9
359	Q	33.6	Very low	31.2	Very low	161 Å²	161	144.9 Å²	144.9	75%	0.752	75%	0.746	S	S	*	*			trans	76.9	132.6	164.8	-74.7	152.5	-12.2	0	0	116
360	T	28	Very low	31.3	Very low	124 Å²	124	149.7 Å²	149.7	76%	0.761	75%	0.753	S	S	*	*			cis	-171.8	137.7	12	13.7	0	0	0	0	108.1
361	S	35.4	Very low	31.4	Very low	109 Å²	109	146.9 Å²	146.9	76%	0.762	74%	0.741	S	S	*	*			trans	-68.8	156.4	147.8	-60.4	0	0	0	0	109
362	P	42.7	Very low	31.4	Very low	119 Å²	119	144.4 Å²	144.4	77%	0.773	73%	0.734	S	S	*	*				-138.1	132.7	91.1	21.3	-0.2	0	0	0	111.7
363	H	29.1	Very low	31.6	Very low	140 Å²	140	148 Å²	148	65%	0.648	73%	0.729	S	S	*	*				64	110.7	90.3	-154.3	-84.7	0	0	0	113.8	E365	H363-E365 VanDerWaalsContact CE1-CG 3.47Å; H363-E365 WeakPolarHBondContact CE1-CG 3.5Å; H363-E365 IonicContact CE1-OE1 3.79Å
364	L	31.9	Very low	31.8	Very low	156 Å²	156	148.2 Å²	148.2	82%	0.817	72%	0.724	S	S	*	*			trans	-177.3	93.6	139.3	-116.5	101.7	0	0	0	106.1
365	E	31.3	Very low	32.3	Very low	138 Å²	138	149.1 Å²	149.1	65%	0.645	73%	0.725	S	S	*	*				80.7	137	87	-84.1	-153.7	160	0	0	115.6	H363	H363-E365 VanDerWaalsContact CE1-CG 3.47Å; H363-E365 WeakPolarHBondContact CE1-CG 3.5Å; H363-E365 IonicContact CE1-OE1 3.79Å
366	L	36.5	Very low	32.4	Very low	136 Å²	136	146.4 Å²	146.4	71%	0.712	73%	0.725	S	S	*	*			trans	94.5	103.1	158.3	-63.1	136.1	0	0	0	116.6
367	R	31.4	Very low	32.5	Very low	197 Å²	197	142.9 Å²	142.9	74%	0.743	72%	0.722	S	S	*	*				61.1	131	85.9	-105.7	177.9	164.3	-139.1	10.8	110
368	Q	30.3	Very low	32.6	Very low	123 Å²	123	144.9 Å²	144.9	58%	0.575	72%	0.723	S	S	*	*			cis	-175.4	136.9	31	-147.7	147.9	-11.9	0	0	107.8
369	F	27.4	Very low	32.7	Very low	167 Å²	167	148.9 Å²	148.9	73%	0.732	73%	0.73	S	S	*	*			trans	34.8	126	130.8	-88.3	-101.1	0	0	0	121.7	V371	F369-V371 HydrophobicContact CD1-CG2 3.76Å; F369-V371 HydrophobicContact CE1-CG2 4.4Å
370	W	34.4	Very low	32.5	Very low	245 Å²	245	148.7 Å²	148.7	93%	0.928	73%	0.734	S	S	*	*				-147.1	104.1	120.6	-87.6	93.3	0	0	0	106.5
371	V	34.3	Very low	32.6	Very low	90 Å²	90	149.7 Å²	149.7	55%	0.545	73%	0.734	S	S	.	*				59.1	89.5	87.4	-173.4	0	0	0	0	114.3	F369	F369-V371 HydrophobicContact CD1-CG2 3.76Å; F369-V371 HydrophobicContact CE1-CG2 4.4Å
372	D	33.9	Very low	32.4	Very low	141 Å²	141	149.6 Å²	149.6	75%	0.754	73%	0.734	S	S	*	*				66.2	151.6	104.7	-141.7	14	0	0	0	122.4
373	K	33.5	Very low	31.8	Very low	151 Å²	151	148 Å²	148	66%	0.657	73%	0.731	S	S	*	*			trans	81.8	130.7	167.2	-74.4	178.5	161.3	166.9	0	117.7
374	R	32.5	Very low	31.9	Very low	192 Å²	192	148 Å²	148	73%	0.725	74%	0.74	S	S	*	*			cis	-170.1	137.7	24.7	-129.6	-172.2	-117.5	-169.1	2.2	114.2
375	V	36.1	Very low	32.2	Very low	112 Å²	112	145.9 Å²	145.9	68%	0.679	74%	0.736	S	S	*	*				73.1	140.4	126.3	152.2	0	0	0	0	118.9
376	N	29.9	Very low	33.3	Very low	132 Å²	132	144.7 Å²	144.7	71%	0.706	74%	0.74	S	S	*	*			cis	-158	164.7	6.6	-104.8	-15.7	0	0	0	105.9
377	S	31.4	Very low	33	Very low	99 Å²	99	145.2 Å²	145.2	69%	0.692	75%	0.749	S	S	*	*			cis	-168	134.9	49.5	62	0	0	0	0	112.5
378	L	33.3	Very low	32.9	Very low	155 Å²	155	144 Å²	144	81%	0.812	75%	0.751	S	S	*	*				40.7	115.2	126.5	-66.2	155	0	0	0	118.8
379	R	29.4	Very low	32.8	Very low	240 Å²	240	143.1 Å²	143.1	91%	0.906	75%	0.751	S	S	*	*				147.3	107.7	98.6	-166.4	169.1	175.7	171.7	-3.1	110.7
380	N	29.9	Very low	32.9	Very low	156 Å²	156	144.4 Å²	144.4	83%	0.834	75%	0.752	S	S	*	*			trans	-120	141.2	160	-108.1	4	0	0	0	107
381	D	30.1	Very low	32.8	Very low	145 Å²	145	137.1 Å²	137.1	78%	0.775	74%	0.744	S	S	*	*			trans	-170.6	117.8	145.1	-101.1	-30.1	0	0	0	107.9
382	S	31.1	Very low	33.1	Very low	107 Å²	107	138.2 Å²	138.2	75%	0.748	75%	0.753	S	S	*	*				78.9	132.7	91.3	-59.6	0	0	0	0	111.6
383	A	30.3	Very low	32.8	Very low	87 Å²	87	139.5 Å²	139.5	72%	0.719	76%	0.756	S	S	*	*			cis	-174.2	-169.3	2.1	0	0	0	0	0	108.4
384	V	30.8	Very low	32.4	Very low	138 Å²	138	140.5 Å²	140.5	84%	0.836	76%	0.764	S	S	*	*			trans	87.8	151.6	160.6	-118	0	0	0	0	119.2
385	P	38.4	Very low	32.4	Very low	112 Å²	112	139 Å²	139	73%	0.727	77%	0.769	S	S	*	*				-135.4	-146.9	-102.6	45.4	-21.5	0	0	0	112.9
386	P	53.7	Low	31.9	Very low	114 Å²	114	142.4 Å²	142.4	74%	0.74	78%	0.778	S	S	*	*				-111.5	162.8	-120.8	38.4	-19.8	0	0	0	115.6
387	V	31.8	Very low	32.2	Very low	146 Å²	146	144.7 Å²	144.7	89%	0.885	78%	0.784	S	S	*	*			trans	-144.8	129.3	154.9	-174.9	0	0	0	0	111.9
388	E	28.1	Very low	32.5	Very low	172 Å²	172	145.4 Å²	145.4	80%	0.804	79%	0.786	S	S	*	*			trans	-34.6	141.7	163.9	-109.5	160.1	-179.7	0	0	120
389	D	27.7	Very low	32.5	Very low	104 Å²	104	146.9 Å²	146.9	56%	0.556	78%	0.782	S	S	*	*				106.9	140.1	120.8	-115.5	-19.7	0	0	0	124.4
390	Y	31.3	Very low	32.3	Very low	194 Å²	194	144.2 Å²	144.2	76%	0.761	78%	0.78	S	S	*	*			trans	70.3	106.5	161.1	-57	-66.6	0	0	0	124.4
391	A	31.7	Very low	32.5	Very low	92 Å²	92	142.5 Å²	142.5	76%	0.76	77%	0.771	S	S	*	*				71.9	153.1	109.8	0	0	0	0	0	122.6
392	P	40	Very low	33	Very low	113 Å²	113	142.2 Å²	142.2	73%	0.734	77%	0.768	S	S	*	*			trans	-122.3	-165.5	-145.5	43.5	-29.2	0	0	0	115.9
393	M	27.2	Very low	33.6	Very low	168 Å²	168	143.4 Å²	143.4	83%	0.828	77%	0.771	S	S	*	*			trans	89	139.8	165.9	-117.7	177.5	-46.8	0	0	115.1
394	E	25.4	Very low	33.9	Very low	173 Å²	173	148.3 Å²	148.3	81%	0.808	78%	0.776	S	S	*	*			cis	-148.5	139.3	34.2	-72.7	170.3	126.4	0	0	110.3
395	L	33.3	Very low	34.3	Very low	159 Å²	159	151.7 Å²	151.7	83%	0.832	77%	0.774	S	S	*	*				58.7	105.7	85.7	-149.9	89.1	0	0	0	116
396	E	25.5	Very low	34.4	Very low	185 Å²	185	156.8 Å²	156.8	86%	0.864	78%	0.779	S	S	*	*				178.3	129.2	119.9	-98.8	-175	159.2	0	0	112.4
397	Q	34.8	Very low	33.9	Very low	180 Å²	180	159.6 Å²	159.6	84%	0.841	78%	0.782	S	S	*	*			trans	-88.7	162.6	160.6	-79.6	-173.8	-0.4	0	0	108
398	P	39.4	Very low	34.3	Very low	114 Å²	114	161.6 Å²	161.6	74%	0.74	78%	0.778	S	S	*	*			cis	-155.8	163.5	45.4	37.8	-13	0	0	0	120.1
399	Y	31.5	Very low	35.2	Very low	185 Å²	185	162.3 Å²	162.3	73%	0.725	77%	0.774	S	S	*	*			trans	44	126.7	149.7	-105.4	-92.8	0	0	0	123.4
400	Q	26.1	Very low	36.1	Very low	184 Å²	184	164.7 Å²	164.7	86%	0.86	78%	0.779	S	S	*	*				-144.7	130.7	124.5	-83	-153.8	-16.6	0	0	112.7
401	N	35.1	Very low	36.8	Very low	121 Å²	121	163.7 Å²	163.7	65%	0.647	77%	0.774	S	S	*	*			trans	-70.2	125.7	169.9	-88.8	-37.5	0	0	0	110.9
402	I	39.2	Very low	37.6	Very low	138 Å²	138	164 Å²	164	71%	0.708	76%	0.761	S	S	*	*			trans	-118.8	90.2	161.6	-59	179.8	0	0	0	109.7	K404	I402-K404 HydrophobicContact CG2-CB 3.97Å; I402-K404 HydrophobicContact CG2-CG 4.43Å; I402-K404 PolarHBondContact O-N 2.96Å
403	T	43.8	Very low	38.3	Very low	133 Å²	133	161.7 Å²	161.7	82%	0.816	75%	0.747	S	S	*	*			trans	-69.5	69.8	162.4	39.6	0	0	0	0	110.8
404	K	37.6	Very low	39.6	Very low	190 Å²	190	155.4 Å²	155.4	83%	0.826	73%	0.726	S	S	*	*			trans	-139	33.7	170.6	-77.4	-168.5	177.3	176.6	0	114.6	I402	I402-K404 HydrophobicContact CG2-CB 3.97Å; I402-K404 HydrophobicContact CG2-CG 4.43Å; I402-K404 PolarHBondContact O-N 2.96Å
405	R	38.8	Very low	41.2	Very low	209 Å²	209	151 Å²	151	79%	0.789	71%	0.707	S	S	*	*			trans	-118.3	8.1	-178.7	-124.1	177	-176.7	-176.9	1.9	116
406	R	41.1	Very low	42.3	Very low	219 Å²	219	151.5 Å²	151.5	83%	0.826	70%	0.698	S	S	*	*	S	Bend	trans	-99	-17.3	-168.5	-135.6	171.5	-178.6	166.8	-0.7	115.9
407	E	43.4	Very low	43.8	Very low	173 Å²	173	150.1 Å²	150.1	81%	0.808	69%	0.69	S	S	*	*	H	α-helix	trans	-86.8	-40.9	-179.1	-72.8	-173.9	148.8	0	0	114.2	R409 K410	E407-R409 PolarHBondContact O-N 2.73Å; E407-R409 VanDerWaalsContact O-N 3.16Å; E407-K410 PolarHBondContact O-N 2.91Å; E407-K410 VanDerWaalsContact O-N 3.11Å
408	K	38.6	Very low	44.7	Very low	187 Å²	187	149.5 Å²	149.5	81%	0.813	68%	0.684	S	S	*	*	H	α-helix	trans	-62	-25.1	177.7	-84.6	-174.7	175.1	-179.8	0	114.1	M412	K408-M412 WeakPolarHBondContact O-CG 3.13Å; K408-M412 PolarHBondContact O-N 2.96Å
409	R	47.2	Very low	45.5	Very low	188 Å²	188	152.2 Å²	152.2	71%	0.709	68%	0.68	S	S	*	*	H	α-helix	trans	-75.4	-31.1	176.1	-83.8	-179.4	178.7	165.9	-0.3	113	E407 S413	E407-R409 PolarHBondContact O-N 2.73Å; E407-R409 VanDerWaalsContact O-N 3.16Å; R409-S413 WeakPolarHBondContact O-CB 3.34Å; R409-S413 PolarHBondContact O-N 2.99Å; R409-S413 PolarHBondContact O-OG 3.27Å
410	K	46	Very low	46.5	Very low	153 Å²	153	151.2 Å²	151.2	67%	0.665	68%	0.675	S	S	*	*	H	α-helix	trans	-71	-44.3	-179.6	-76.2	-174.9	178.3	-179.4	0	111.3	E407 S413 G414	E407-K410 PolarHBondContact O-N 2.91Å; E407-K410 VanDerWaalsContact O-N 3.11Å; K410-S413 WeakPolarHBondContact CA-OG 3.38Å; K410-S413 PolarHBondContact O-N 2.76Å; K410-S413 PolarHBondContact O-OG 2.48Å; K410-G414 PolarHBondContact O-N 2.83Å
411	W	46.8	Very low	47.8	Very low	174 Å²	174	145.3 Å²	145.3	66%	0.659	66%	0.657	S	S	*	*	H	α-helix	trans	-62.8	-46.8	176.4	-173.3	80.5	0	0	0	112.3	S413 G414 L415	W411-S413 VanDerWaalsContact C-N 3.31Å; W411-S413 PolarHBondContact O-N 3.33Å; W411-G414 PolarHBondContact O-N 2.89Å; W411-L415 HydrophobicContact CD2-CD1 3.82Å; W411-L415 HydrophobicContact CE3-CD1 4.19Å; W411-L415 HydrophobicContact CG-CD1 4.4Å; W411-L415 HydrophobicContact CH2-CD1 4.02Å; W411-L415 HydrophobicContact CZ2-CD1 3.62Å; W411-L415 HydrophobicContact CZ3-CD1 4.28Å; W411-L415 PolarHBondContact O-N 2.8Å
412	M	47.8	Very low	48.5	Very low	99 Å²	99	144.2 Å²	144.2	49%	0.488	65%	0.649	S	S	.	*	H	α-helix	trans	-64.9	-31.7	174.9	-72.1	-68.3	-78.9	0	0	113.1	K408 R416	K408-M412 WeakPolarHBondContact O-CG 3.13Å; K408-M412 PolarHBondContact O-N 2.96Å; M412-R416 WeakPolarHBondContact O-CB 3.48Å; M412-R416 WeakPolarHBondContact O-CG 3.41Å; M412-R416 PolarHBondContact O-N 2.84Å
413	S	55.1	Low	49.1	Very low	63 Å²	63	146.6 Å²	146.6	44%	0.441	65%	0.649	S	S	.	*	H	α-helix	trans	-74.1	-34.4	174.4	77.2	0	0	0	0	112.6	R409 K410 W411 R416 K417	R409-S413 WeakPolarHBondContact O-CB 3.34Å; R409-S413 PolarHBondContact O-N 2.99Å; R409-S413 PolarHBondContact O-OG 3.27Å; K410-S413 WeakPolarHBondContact CA-OG 3.38Å; K410-S413 PolarHBondContact O-N 2.76Å; K410-S413 PolarHBondContact O-OG 2.48Å; W411-S413 VanDerWaalsContact C-N 3.31Å; W411-S413 PolarHBondContact O-N 3.33Å; S413-R416 CarbonylContact O-C 3.6Å; S413-R416 PolarHBondContact O-N 2.96Å; S413-K417 WeakPolarHBondContact O-CB 3.23Å; S413-K417 PolarHBondContact O-N 3.07Å
414	G	55.7	Low	49.6	Very low	37 Å²	37	148.6 Å²	148.6	38%	0.381	65%	0.649	S	S	.	*	H	α-helix	trans	-67.9	-44.6	174.7	0	0	0	0	0	111.6	K410 W411 K417 K418	K410-G414 PolarHBondContact O-N 2.83Å; W411-G414 PolarHBondContact O-N 2.89Å; G414-K417 PolarHBondContact O-N 3.04Å; G414-K418 PolarHBondContact O-N 3.33Å
415	L	57.4	Low	50.6	Low	79 Å²	79	142.3 Å²	142.3	41%	0.414	63%	0.625	S	S	.	*	H	α-helix	trans	-58.7	-47.6	168.7	-102	95.9	0	0	0	111.1	W411 K417 K418 W419	W411-L415 HydrophobicContact CD2-CD1 3.82Å; W411-L415 HydrophobicContact CE3-CD1 4.19Å; W411-L415 HydrophobicContact CG-CD1 4.4Å; W411-L415 HydrophobicContact CH2-CD1 4.02Å; W411-L415 HydrophobicContact CZ2-CD1 3.62Å; W411-L415 HydrophobicContact CZ3-CD1 4.28Å; W411-L415 PolarHBondContact O-N 2.8Å; L415-K417 VanDerWaalsContact C-N 3.26Å; L415-K417 PolarHBondContact O-N 3.35Å; L415-K418 PolarHBondContact O-N 3.15Å; L415-W419 VanDerWaalsContact O-CB 3.3Å; L415-W419 WeakPolarHBondContact O-CB 3.3Å; L415-W419 PolarHBondContact O-N 3.12Å
416	R	57.1	Low	52	Low	170 Å²	170	140.4 Å²	140.4	64%	0.642	62%	0.617	S	S	*	*	H	α-helix	trans	-63	-27	176.1	-86	179.4	175.5	169.2	-0.5	114.2	M412 S413 R420	M412-R416 WeakPolarHBondContact O-CB 3.48Å; M412-R416 WeakPolarHBondContact O-CG 3.41Å; M412-R416 PolarHBondContact O-N 2.84Å; S413-R416 CarbonylContact O-C 3.6Å; S413-R416 PolarHBondContact O-N 2.96Å; R416-R420 WeakPolarHBondContact O-CB 3.46Å; R416-R420 WeakPolarHBondContact O-CG 3.41Å; R416-R420 PolarHBondContact O-N 2.78Å; R416-R420 PolarHBondContact O-NE 3.38Å
417	K	56.3	Low	53.4	Low	157 Å²	157	130.3 Å²	130.3	68%	0.683	58%	0.58	S	S	*	*	H	α-helix	trans	-77.8	-43.8	176.1	-135.9	178.8	-178.6	-173.3	0	110.1	S413 G414 L415 W419 R420 A421	S413-K417 WeakPolarHBondContact O-CB 3.23Å; S413-K417 PolarHBondContact O-N 3.07Å; G414-K417 PolarHBondContact O-N 3.04Å; L415-K417 VanDerWaalsContact C-N 3.26Å; L415-K417 PolarHBondContact O-N 3.35Å; K417-W419 VanDerWaalsContact C-N 3.33Å; K417-W419 PolarHBondContact O-N 3.12Å; K417-R420 PolarHBondContact O-N 3.42Å; K417-A421 PolarHBondContact O-N 2.88Å
418	K	55.5	Low	55	Low	167 Å²	167	127.5 Å²	127.5	73%	0.726	57%	0.567	S	S	*	*	H	α-helix	trans	-59.8	-39.8	169	-99.6	-175.7	171.9	-177.2	0	112.3	G414 L415 A421 M422	G414-K418 PolarHBondContact O-N 3.33Å; L415-K418 PolarHBondContact O-N 3.15Å; K418-A421 PolarHBondContact O-N 3.08Å; K418-M422 WeakPolarHBondContact O-CB 3.3Å; K418-M422 PolarHBondContact O-N 3.38Å
419	W	54.3	Low	57.1	Low	171 Å²	171	121 Å²	121	65%	0.648	54%	0.543	S	S	*	.	H	α-helix	trans	-69.3	-32.3	176.4	-124	73.9	0	0	0	112.9	L415 K417 R423	L415-W419 VanDerWaalsContact O-CB 3.3Å; L415-W419 WeakPolarHBondContact O-CB 3.3Å; L415-W419 PolarHBondContact O-N 3.12Å; K417-W419 VanDerWaalsContact C-N 3.33Å; K417-W419 PolarHBondContact O-N 3.12Å; W419-R423 PolarHBondContact O-N 3.33Å
420	R	54.4	Low	58.8	Low	164 Å²	164	113.1 Å²	113.1	62%	0.619	52%	0.516	S	S	*	.	H	α-helix	trans	-73.7	-34.9	172.5	-85.6	-173.8	-80.5	-167.2	-0.9	112.4	R416 K417 R423	R416-R420 WeakPolarHBondContact O-CB 3.46Å; R416-R420 WeakPolarHBondContact O-CG 3.41Å; R416-R420 PolarHBondContact O-N 2.78Å; R416-R420 PolarHBondContact O-NE 3.38Å; K417-R420 PolarHBondContact O-N 3.42Å; R420-R423 VanDerWaalsContact O-CB 3.22Å; R420-R423 WeakPolarHBondContact O-CB 3.41Å; R420-R423 PolarHBondContact O-N 3.15Å
421	A	52.7	Low	60.6	Low	59 Å²	59	106.3 Å²	106.3	49%	0.488	49%	0.486	S	S	.	.	H	α-helix	trans	-68.4	-36.8	170.8	0	0	0	0	0	112.1	K417 K418 R423 E424	K417-A421 PolarHBondContact O-N 2.88Å; K418-A421 PolarHBondContact O-N 3.08Å; A421-R423 PolarHBondContact O-N 3.21Å; A421-R423 VanDerWaalsContact O-N 3.17Å; A421-E424 PolarHBondContact O-N 2.85Å
422	M	49.9	Very low	62.5	Low	98 Å²	98	104.2 Å²	104.2	48%	0.483	48%	0.482	S	S	.	.	G	3₁₀ helix	trans	-58.4	-23.9	169.6	-90.6	-91.6	-79	0	0	113.5	K418 E424 L425	K418-M422 WeakPolarHBondContact O-CB 3.3Å; K418-M422 PolarHBondContact O-N 3.38Å; M422-E424 VanDerWaalsContact C-N 3.28Å; M422-E424 PolarHBondContact O-N 3.4Å; M422-L425 HydrophobicContact CB-CD1 4.49Å; M422-L425 HydrophobicContact CG-CD1 4.42Å; M422-L425 PolarHBondContact O-N 3.35Å; M422-L425 HydrophobicContact SD-CD1 4.18Å
423	R	51.3	Low	64.4	Low	189 Å²	189	106.5 Å²	106.5	71%	0.713	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-78.6	-10.4	-178.3	-146.3	175.3	178.7	165.1	1.2	113.5	W419 R420 A421	W419-R423 PolarHBondContact O-N 3.33Å; R420-R423 VanDerWaalsContact O-CB 3.22Å; R420-R423 WeakPolarHBondContact O-CB 3.41Å; R420-R423 PolarHBondContact O-N 3.15Å; A421-R423 PolarHBondContact O-N 3.21Å; A421-R423 VanDerWaalsContact O-N 3.17Å
424	E	54.2	Low	66	Low	175 Å²	175	104.2 Å²	104.2	82%	0.818	47%	0.47	S	S	*	.	G	3₁₀ helix	trans	-96.5	-2.2	173.2	-72.9	177.8	175.8	0	0	112.7	A421 M422	A421-E424 PolarHBondContact O-N 2.85Å; M422-E424 VanDerWaalsContact C-N 3.28Å; M422-E424 PolarHBondContact O-N 3.4Å
425	L	58.8	Low	67.6	Low	58 Å²	58	103 Å²	103	30%	0.304	46%	0.457	S	S	.	.	S	Bend	trans	-75	128	172	-80.5	106	0	0	0	110.3	M422 T429 V430	M422-L425 HydrophobicContact CB-CD1 4.49Å; M422-L425 HydrophobicContact CG-CD1 4.42Å; M422-L425 PolarHBondContact O-N 3.35Å; M422-L425 HydrophobicContact SD-CD1 4.18Å; L425-T429 HydrophobicContact CD2-CG2 3.9Å; L425-V430 HydrophobicContact CB-CG2 4.36Å; L425-V430 HydrophobicContact CD2-CG2 4.39Å
426	R	68.4	Low	69.1	Low	169 Å²	169	103.5 Å²	103.5	64%	0.638	46%	0.459	S	S	*	.			trans	-65.5	145.9	168.4	-72.2	179.6	179.4	177.2	0.3	109.4	E428 T429 V430	R426-E428 PolarHBondContact O-N 2.96Å; R426-T429 WeakPolarHBondContact O-CB 3.46Å; R426-T429 PolarHBondContact O-N 3.43Å; R426-V430 PolarHBondContact O-N 2.86Å
427	P	71.4	Confident	70.8	Confident	6 Å²	6	101.7 Å²	101.7	4%	0.039	46%	0.456	C	S	.	.	H	α-helix	trans	-55.7	-37.1	176.6	21	-31.6	0	0	0	112.1	P269 V327 M330 E334 T429 V430 D431	P269-P427 HydrophobicContact CB-CB 4.3Å; V327-P427 HydrophobicContact CG1-CB 4.06Å; M330-P427 HydrophobicContact CE-CB 4.19Å; E334-P427 WeakPolarHBondContact OE1-CD 3.38Å; P427-T429 PolarHBondContact O-N 2.87Å; P427-V430 PolarHBondContact O-N 2.88Å; P427-V430 VanDerWaalsContact O-N 3.12Å; P427-D431 PolarHBondContact O-N 3.49Å; P427-D431 VanDerWaalsContact O-N 3.12Å
428	E	76.2	Confident	72.5	Confident	115 Å²	115	95.1 Å²	95.1	54%	0.537	43%	0.427	S	S	.	.	H	α-helix	trans	-59.9	-32.3	175.6	-62	173.3	177.2	0	0	113.1	P269 R426 F432	P269-E428 HydrophobicContact CG-CG 4.04Å; R426-E428 PolarHBondContact O-N 2.96Å; E428-F432 WeakPolarHBondContact O-CB 3.44Å; E428-F432 PolarHBondContact O-N 2.88Å; E428-F432 VanDerWaalsContact O-N 3.13Å
429	T	81.8	Confident	74.3	Confident	50 Å²	50	88.8 Å²	88.8	31%	0.307	40%	0.403	S	S	.	.	H	α-helix	trans	-72.9	-35.3	178.4	-49.5	0	0	0	0	111.2	L425 R426 P427 F432 Y433	L425-T429 HydrophobicContact CD2-CG2 3.9Å; R426-T429 WeakPolarHBondContact O-CB 3.46Å; R426-T429 PolarHBondContact O-N 3.43Å; P427-T429 PolarHBondContact O-N 2.87Å; T429-F432 PolarHBondContact O-N 2.84Å; T429-Y433 HydrophobicContact CG2-CD2 3.82Å; T429-Y433 HydrophobicContact CG2-CE2 3.49Å; T429-Y433 VanDerWaalsContact CG2-CE2 3.49Å; T429-Y433 WeakPolarHBondContact O-CD2 3.46Å; T429-Y433 PolarHBondContact O-N 2.83Å; T429-Y433 VanDerWaalsContact O-N 3.13Å
430	V	83.3	Confident	76.1	Confident	23 Å²	23	84 Å²	84	14%	0.139	39%	0.394	C	S	.	.	H	α-helix	trans	-68.8	-45.4	176.7	175.9	0	0	0	0	110.6	V327 M330 L425 R426 P427 F432 Y433 S434	V327-V430 HydrophobicContact CG2-CB 4.46Å; V327-V430 HydrophobicContact CG2-CG1 4.15Å; M330-V430 HydrophobicContact CE-CB 4.01Å; M330-V430 HydrophobicContact CE-CG1 4.4Å; M330-V430 HydrophobicContact CE-CG2 3.68Å; M330-V430 HydrophobicContact SD-CG2 4.3Å; L425-V430 HydrophobicContact CB-CG2 4.36Å; L425-V430 HydrophobicContact CD2-CG2 4.39Å; R426-V430 PolarHBondContact O-N 2.86Å; P427-V430 PolarHBondContact O-N 2.88Å; P427-V430 VanDerWaalsContact O-N 3.12Å; V430-F432 VanDerWaalsContact C-N 3.29Å; V430-F432 PolarHBondContact O-N 2.64Å; V430-Y433 PolarHBondContact O-N 3.17Å; V430-S434 WeakPolarHBondContact O-CB 3.34Å; V430-S434 PolarHBondContact O-N 3.03Å; V430-S434 PolarHBondContact O-OG 3.12Å
431	D	85.1	Confident	78	Confident	9 Å²	9	77.3 Å²	77.3	5%	0.048	37%	0.373	C	S	.	.	H	α-helix	trans	-56.6	-43.5	174.9	-72.2	-44.4	0	0	0	111.3	R275 P427 S434 A435	R275-D431 IonicContact CZ-OD1 2.85Å; R275-D431 IonicContact CZ-OD2 2.6Å; R275-D431 IonicContact NH1-OD1 3.25Å; R275-D431 PolarHBondContact NH1-OD1 3.39Å; R275-D431 IonicContact NH1-OD2 3.15Å; R275-D431 PolarHBondContact NH1-OD2 2.95Å; R275-D431 IonicContact NH2-OD1 2.74Å; R275-D431 PolarHBondContact NH2-OD1 3.01Å; R275-D431 VanDerWaalsContact NH2-OD1 3.16Å; R275-D431 IonicContact NH2-OD2 3.46Å; R275-D431 PolarHBondContact NH2-OD2 3.14Å; P427-D431 PolarHBondContact O-N 3.49Å; P427-D431 VanDerWaalsContact O-N 3.12Å; D431-S434 PolarHBondContact O-N 3.41Å; D431-A435 WeakPolarHBondContact O-CB 3.24Å; D431-A435 PolarHBondContact O-N 3.4Å
432	F	86.4	Confident	80	Confident	131 Å²	131	75.3 Å²	75.3	58%	0.575	35%	0.353	S	S	*	.	H	α-helix	trans	-62.9	-45.6	179	-178	-97.6	0	0	0	113	E428 T429 V430 A435 I436	E428-F432 WeakPolarHBondContact O-CB 3.44Å; E428-F432 PolarHBondContact O-N 2.88Å; E428-F432 VanDerWaalsContact O-N 3.13Å; T429-F432 PolarHBondContact O-N 2.84Å; V430-F432 VanDerWaalsContact C-N 3.29Å; V430-F432 PolarHBondContact O-N 2.64Å; F432-A435 PolarHBondContact O-N 3.08Å; F432-I436 HydrophobicContact CD1-CD1 4.36Å; F432-I436 HydrophobicContact CE1-CD1 3.79Å; F432-I436 HydrophobicContact CZ-CD1 3.88Å
433	Y	87.3	Confident	82	Confident	146 Å²	146	76.8 Å²	76.8	57%	0.573	36%	0.36	S	S	*	.	H	α-helix	trans	-67.3	-40.1	176.8	-77.6	-63	0	0	0	111.9	T429 V430 A435 I436 F437	T429-Y433 HydrophobicContact CG2-CD2 3.82Å; T429-Y433 HydrophobicContact CG2-CE2 3.49Å; T429-Y433 VanDerWaalsContact CG2-CE2 3.49Å; T429-Y433 WeakPolarHBondContact O-CD2 3.46Å; T429-Y433 PolarHBondContact O-N 2.83Å; T429-Y433 VanDerWaalsContact O-N 3.13Å; V430-Y433 PolarHBondContact O-N 3.17Å; Y433-A435 VanDerWaalsContact C-N 3.35Å; Y433-A435 PolarHBondContact O-N 2.98Å; Y433-I436 PolarHBondContact O-N 3.13Å; Y433-F437 VanDerWaalsContact O-CB 3.3Å; Y433-F437 WeakPolarHBondContact O-CB 3.3Å; Y433-F437 PolarHBondContact O-N 3.31Å
434	S	89.1	Confident	84.1	Confident	15 Å²	15	73.4 Å²	73.4	11%	0.105	36%	0.356	C	S	.	.	H	α-helix	trans	-62.6	-40.6	176.5	-63.3	0	0	0	0	111.9	E323 V430 D431 I436 F437 F438	E323-S434 WeakPolarHBondContact CG-OG 3.46Å; V430-S434 WeakPolarHBondContact O-CB 3.34Å; V430-S434 PolarHBondContact O-N 3.03Å; V430-S434 PolarHBondContact O-OG 3.12Å; D431-S434 PolarHBondContact O-N 3.41Å; S434-I436 PolarHBondContact O-N 3.09Å; S434-F437 PolarHBondContact O-N 3.08Å; S434-F438 WeakPolarHBondContact O-CD2 3.32Å; S434-F438 PolarHBondContact O-N 2.96Å
435	A	88.3	Confident	86.1	Confident	12 Å²	12	66.8 Å²	66.8	10%	0.099	32%	0.324	C	S	.	.	H	α-helix	trans	-60.9	-24.9	177.8	0	0	0	0	0	113.8	F265 Y266 D431 F432 Y433 P439	F265-A435 HydrophobicContact CB-CB 4.1Å; Y266-A435 HydrophobicContact CE1-CB 4.34Å; D431-A435 WeakPolarHBondContact O-CB 3.24Å; D431-A435 PolarHBondContact O-N 3.4Å; F432-A435 PolarHBondContact O-N 3.08Å; Y433-A435 VanDerWaalsContact C-N 3.35Å; Y433-A435 PolarHBondContact O-N 2.98Å; A435-P439 WeakPolarHBondContact O-CD 3.37Å; A435-P439 VanDerWaalsContact O-CG 3.24Å; A435-P439 WeakPolarHBondContact O-CG 3.12Å
436	I	89.9	Confident	87.7	Confident	89 Å²	89	65.3 Å²	65.3	46%	0.456	32%	0.317	S	S	.	.	H	α-helix	trans	-94.3	-43.3	175.8	-60.7	170.6	0	0	0	110.7	F432 Y433 S434 T440	F432-I436 HydrophobicContact CD1-CD1 4.36Å; F432-I436 HydrophobicContact CE1-CD1 3.79Å; F432-I436 HydrophobicContact CZ-CD1 3.88Å; Y433-I436 PolarHBondContact O-N 3.13Å; S434-I436 PolarHBondContact O-N 3.09Å; I436-T440 HydrophobicContact CG2-CG2 4.35Å; I436-T440 WeakPolarHBondContact O-CB 3.46Å; I436-T440 VanDerWaalsContact O-CG2 3.24Å; I436-T440 WeakPolarHBondContact O-CG2 3.45Å; I436-T440 PolarHBondContact O-N 3.35Å; I436-T440 PolarHBondContact O-OG1 2.89Å
437	F	92.1	Very high	88.9	Confident	132 Å²	132	62.2 Å²	62.2	58%	0.579	31%	0.312	S	S	*	.	H	α-helix	trans	-66.5	-44.3	-173.8	178.3	-100.7	0	0	0	113.1	Y433 S434 T440 A441	Y433-F437 VanDerWaalsContact O-CB 3.3Å; Y433-F437 WeakPolarHBondContact O-CB 3.3Å; Y433-F437 PolarHBondContact O-N 3.31Å; S434-F437 PolarHBondContact O-N 3.08Å; F437-T440 WeakPolarHBondContact CA-OG1 3.34Å; F437-T440 PolarHBondContact O-N 2.89Å; F437-T440 PolarHBondContact O-OG1 3.25Å; F437-A441 HydrophobicContact CE1-CB 4.48Å; F437-A441 HydrophobicContact CZ-CB 4.42Å; F437-A441 WeakPolarHBondContact O-CB 3.37Å; F437-A441 PolarHBondContact O-N 3.49Å
438	F	92.9	Very high	89.9	Confident	19 Å²	19	65.2 Å²	65.2	8%	0.083	33%	0.333	C	S	.	.	H	α-helix	trans	-66	-48.8	-176.8	-82.6	-100.4	0	0	0	112.7	W262 F265 F316 L319 S434 T440 A441 Y442	W262-F438 HydrophobicContact CE3-CB 4.24Å; F265-F438 HydrophobicContact CE2-CB 3.82Å; F265-F438 HydrophobicContact CE2-CD1 4.27Å; F265-F438 AromaticContact CE2-CD2 3.58Å; F265-F438 HydrophobicContact CE2-CD2 3.58Å; F265-F438 HydrophobicContact CE2-CE2 4.14Å; F265-F438 AromaticContact CE2-CG 3.64Å; F265-F438 HydrophobicContact CE2-CG 3.64Å; F265-F438 HydrophobicContact CZ-CD1 4.22Å; F265-F438 AromaticContact CZ-CD2 3.63Å; F265-F438 HydrophobicContact CZ-CD2 3.63Å; F265-F438 HydrophobicContact CZ-CE1 4.26Å; F265-F438 AromaticContact CZ-CE2 3.69Å; F265-F438 HydrophobicContact CZ-CE2 3.69Å; F265-F438 AromaticContact CZ-CG 3.9Å; F265-F438 HydrophobicContact CZ-CG 3.9Å; F265-F438 HydrophobicContact CZ-CZ 4.01Å; F316-F438 HydrophobicContact CD1-CD1 4.34Å; L319-F438 HydrophobicContact CB-CE1 3.67Å; L319-F438 HydrophobicContact CB-CZ 3.81Å; S434-F438 WeakPolarHBondContact O-CD2 3.32Å; S434-F438 PolarHBondContact O-N 2.96Å; F438-T440 PolarHBondContact O-N 2.82Å; F438-A441 PolarHBondContact O-N 3.08Å; F438-Y442 VanDerWaalsContact O-CB 3.26Å; F438-Y442 WeakPolarHBondContact O-CB 3.45Å; F438-Y442 PolarHBondContact O-N 3.44Å
439	P	92.4	Very high	90.7	Very high	34 Å²	34	60 Å²	60	22%	0.221	31%	0.308	C	S	.	.	H	α-helix	trans	-58.7	-43.2	173.3	-25.7	35.3	0	0	0	114.6	W262 A435 Y442 M443	W262-P439 HydrophobicContact CD2-CG 4.03Å; W262-P439 HydrophobicContact CE3-CB 4.24Å; W262-P439 HydrophobicContact CE3-CG 3.64Å; W262-P439 HydrophobicContact CH2-CB 3.74Å; W262-P439 HydrophobicContact CH2-CG 3.89Å; W262-P439 HydrophobicContact CZ2-CB 4.4Å; W262-P439 HydrophobicContact CZ2-CG 4.23Å; W262-P439 HydrophobicContact CZ3-CB 3.69Å; W262-P439 HydrophobicContact CZ3-CG 3.62Å; A435-P439 WeakPolarHBondContact O-CD 3.37Å; A435-P439 VanDerWaalsContact O-CG 3.24Å; A435-P439 WeakPolarHBondContact O-CG 3.12Å; P439-Y442 PolarHBondContact O-N 3.01Å; P439-M443 VanDerWaalsContact O-CB 3.32Å; P439-M443 WeakPolarHBondContact O-CB 3.45Å; P439-M443 PolarHBondContact O-N 3.15Å
440	T	92.5	Very high	91.2	Very high	72 Å²	72	60.5 Å²	60.5	44%	0.442	31%	0.305	S	S	.	.	H	α-helix	trans	-67.1	-45.1	-179.9	51.4	0	0	0	0	111.8	I436 F437 F438 Y442 M443 L444	I436-T440 HydrophobicContact CG2-CG2 4.35Å; I436-T440 WeakPolarHBondContact O-CB 3.46Å; I436-T440 VanDerWaalsContact O-CG2 3.24Å; I436-T440 WeakPolarHBondContact O-CG2 3.45Å; I436-T440 PolarHBondContact O-N 3.35Å; I436-T440 PolarHBondContact O-OG1 2.89Å; F437-T440 WeakPolarHBondContact CA-OG1 3.34Å; F437-T440 PolarHBondContact O-N 2.89Å; F437-T440 PolarHBondContact O-OG1 3.25Å; F438-T440 PolarHBondContact O-N 2.82Å; T440-Y442 VanDerWaalsContact C-N 3.31Å; T440-Y442 PolarHBondContact O-N 2.82Å; T440-M443 PolarHBondContact O-N 3.34Å; T440-L444 WeakPolarHBondContact O-CG 3.43Å; T440-L444 PolarHBondContact O-N 3.32Å
441	A	93.9	Very high	91.4	Very high	23 Å²	23	62.8 Å²	62.8	19%	0.19	32%	0.321	C	S	.	.	H	α-helix	trans	-61.5	-40.1	175.8	0	0	0	0	0	112.1	F316 F437 F438 L444 F445	F316-A441 HydrophobicContact CE1-CB 4.06Å; F437-A441 HydrophobicContact CE1-CB 4.48Å; F437-A441 HydrophobicContact CZ-CB 4.42Å; F437-A441 WeakPolarHBondContact O-CB 3.37Å; F437-A441 PolarHBondContact O-N 3.49Å; F438-A441 PolarHBondContact O-N 3.08Å; A441-L444 PolarHBondContact O-N 3.24Å; A441-F445 PolarHBondContact O-N 3.41Å
442	Y	94.1	Very high	91.6	Very high	16 Å²	16	68.4 Å²	68.4	6%	0.063	35%	0.346	C	S	.	.	H	α-helix	trans	-70.9	-36.6	178.4	-173.4	-120.4	0	0	0	113.2	M255 I258 W262 F316 F438 P439 T440 F445 N446	M255-Y442 WeakPolarHBondContact CA-OH 3.5Å; M255-Y442 HydrophobicContact CE-CE1 3.62Å; M255-Y442 HydrophobicContact CE-CE2 3.89Å; M255-Y442 WeakPolarHBondContact CE-OH 3.37Å; I258-Y442 HydrophobicContact CB-CE2 4.48Å; I258-Y442 HydrophobicContact CD1-CE2 3.85Å; I258-Y442 WeakPolarHBondContact CD1-OH 3.36Å; I258-Y442 HydrophobicContact CG2-CD2 4.23Å; I258-Y442 HydrophobicContact CG2-CE1 4.1Å; I258-Y442 HydrophobicContact CG2-CE2 3.84Å; I258-Y442 HydrophobicContact CG2-CG 4.49Å; W262-Y442 HydrophobicContact CH2-CD1 4.24Å; W262-Y442 HydrophobicContact CZ3-CD1 4.15Å; F316-Y442 AromaticContact CD2-CD2 3.94Å; F316-Y442 HydrophobicContact CD2-CD2 3.94Å; F316-Y442 HydrophobicContact CD2-CE2 4.39Å; F316-Y442 AromaticContact CE2-CD2 3.89Å; F316-Y442 HydrophobicContact CE2-CD2 3.89Å; F316-Y442 HydrophobicContact CG-CD2 4.47Å; F316-Y442 HydrophobicContact CZ-CD2 4.34Å; F438-Y442 VanDerWaalsContact O-CB 3.26Å; F438-Y442 WeakPolarHBondContact O-CB 3.45Å; F438-Y442 PolarHBondContact O-N 3.44Å; P439-Y442 PolarHBondContact O-N 3.01Å; T440-Y442 VanDerWaalsContact C-N 3.31Å; T440-Y442 PolarHBondContact O-N 2.82Å; Y442-F445 HydrophobicContact CD2-CD1 4.26Å; Y442-F445 HydrophobicContact CE2-CD1 4.32Å; Y442-F445 PolarHBondContact O-N 3.37Å; Y442-N446 PolarHBondContact O-N 2.9Å; Y442-N446 PolarHBondContact O-ND2 2.03Å
443	M	93.6	Very high	91.6	Very high	129 Å²	129	63.6 Å²	63.6	64%	0.635	32%	0.324	S	S	*	.	H	α-helix	trans	-64.1	-43	173.7	-170.2	176.6	-174.3	0	0	111	P439 T440 F445 N446 I447	P439-M443 VanDerWaalsContact O-CB 3.32Å; P439-M443 WeakPolarHBondContact O-CB 3.45Å; P439-M443 PolarHBondContact O-N 3.15Å; T440-M443 PolarHBondContact O-N 3.34Å; M443-F445 VanDerWaalsContact C-N 3.35Å; M443-F445 PolarHBondContact O-N 2.91Å; M443-N446 PolarHBondContact O-N 3.24Å; M443-I447 HydrophobicContact CG-CD1 4.29Å; M443-I447 WeakPolarHBondContact O-CG1 3.03Å; M443-I447 PolarHBondContact O-N 2.8Å
444	L	95.1	Very high	91.4	Very high	119 Å²	119	60.5 Å²	60.5	62%	0.623	32%	0.317	S	S	*	.	H	α-helix	trans	-61.5	-42	173.3	-71.5	172.3	0	0	0	112.1	T440 A441 N446 I447 S448	T440-L444 WeakPolarHBondContact O-CG 3.43Å; T440-L444 PolarHBondContact O-N 3.32Å; A441-L444 PolarHBondContact O-N 3.24Å; L444-N446 VanDerWaalsContact C-N 3.35Å; L444-I447 PolarHBondContact O-N 3.35Å; L444-S448 PolarHBondContact O-N 3.1Å; L444-S448 PolarHBondContact O-OG 2.89Å
445	F	94.7	Very high	90.6	Very high	36 Å²	36	63.9 Å²	63.9	16%	0.158	34%	0.337	C	S	.	.	H	α-helix	trans	-60.2	-43.2	173.7	170.2	-99	0	0	0	111.9	W309 S312 F316 A441 Y442 M443 S448 Y449	W309-F445 AromaticContact CE3-CE1 3.7Å; W309-F445 HydrophobicContact CE3-CE1 3.7Å; W309-F445 HydrophobicContact CE3-CZ 4.11Å; W309-F445 AromaticContact CZ3-CE1 3.98Å; W309-F445 HydrophobicContact CZ3-CE1 3.98Å; S312-F445 VanDerWaalsContact OG-CE1 3.3Å; S312-F445 WeakPolarHBondContact OG-CE1 3.47Å; S312-F445 WeakPolarHBondContact OG-CE2 3.09Å; S312-F445 WeakPolarHBondContact OG-CZ 3.36Å; F316-F445 HydrophobicContact CE2-CB 4.25Å; F316-F445 HydrophobicContact CE2-CD1 4.43Å; F316-F445 HydrophobicContact CE2-CG 4.21Å; F316-F445 HydrophobicContact CZ-CB 4.29Å; A441-F445 PolarHBondContact O-N 3.41Å; Y442-F445 HydrophobicContact CD2-CD1 4.26Å; Y442-F445 HydrophobicContact CE2-CD1 4.32Å; Y442-F445 PolarHBondContact O-N 3.37Å; M443-F445 VanDerWaalsContact C-N 3.35Å; M443-F445 PolarHBondContact O-N 2.91Å; F445-S448 PolarHBondContact O-N 2.87Å; F445-S448 PolarHBondContact O-OG 2.99Å; F445-Y449 HydrophobicContact CE2-CD2 4.37Å; F445-Y449 AromaticContact CZ-CD2 3.85Å; F445-Y449 HydrophobicContact CZ-CD2 3.85Å; F445-Y449 HydrophobicContact CZ-CG 4.17Å; F445-Y449 WeakPolarHBondContact O-CB 3.36Å; F445-Y449 PolarHBondContact O-N 3.47Å
446	N	93.6	Very high	89.2	Confident	26 Å²	26	64.1 Å²	64.1	14%	0.139	34%	0.338	C	S	.	.	H	α-helix	trans	-61.7	-49.2	177	-88.4	-86.3	0	0	0	111.4	M255 Y442 M443 L444 S448 Y449 W450	M255-N446 WeakPolarHBondContact CE-ND2 3.42Å; M255-N446 WeakPolarHBondContact CE-OD1 3.27Å; Y442-N446 PolarHBondContact O-N 2.9Å; Y442-N446 PolarHBondContact O-ND2 2.03Å; M443-N446 PolarHBondContact O-N 3.24Å; L444-N446 VanDerWaalsContact C-N 3.35Å; N446-S448 VanDerWaalsContact C-N 3.32Å; N446-S448 PolarHBondContact O-N 3.28Å; N446-Y449 PolarHBondContact O-N 3.19Å; N446-W450 WeakPolarHBondContact O-CB 3.07Å; N446-W450 PolarHBondContact O-N 3.24Å; N446-W450 PolarHBondContact OD1-NE1 3.39Å
447	I	93.3	Very high	87.7	Confident	105 Å²	105	62 Å²	62	54%	0.538	33%	0.328	S	S	.	.	H	α-helix	trans	-58.3	-46.9	179.8	-66.8	165.6	0	0	0	110.3	M443 L444 S451	M443-I447 HydrophobicContact CG-CD1 4.29Å; M443-I447 WeakPolarHBondContact O-CG1 3.03Å; M443-I447 PolarHBondContact O-N 2.8Å; L444-I447 PolarHBondContact O-N 3.35Å; I447-S451 WeakPolarHBondContact O-CB 3.15Å; I447-S451 PolarHBondContact O-N 3.08Å
448	S	92.7	Very high	85.9	Confident	68 Å²	68	59.5 Å²	59.5	48%	0.476	33%	0.326	S	S	.	.	H	α-helix	trans	-67.8	-42.6	179.8	65.2	0	0	0	0	112.7	L444 F445 N446 F452	L444-S448 PolarHBondContact O-N 3.1Å; L444-S448 PolarHBondContact O-OG 2.89Å; F445-S448 PolarHBondContact O-N 2.87Å; F445-S448 PolarHBondContact O-OG 2.99Å; N446-S448 VanDerWaalsContact C-N 3.32Å; N446-S448 PolarHBondContact O-N 3.28Å; S448-F452 VanDerWaalsContact O-CB 3.25Å; S448-F452 WeakPolarHBondContact O-CB 3.28Å; S448-F452 PolarHBondContact O-N 3.2Å
449	Y	93.1	Very high	84.1	Confident	6 Å²	6	65.3 Å²	65.3	2%	0.024	35%	0.353	C	S	.	.	H	α-helix	trans	-61.3	-55.2	178.9	179.8	-90.7	0	0	0	111.6	Y251 A305 W309 F445 N446 F452 Y453	Y251-Y449 AromaticContact CE1-CE1 3.76Å; Y251-Y449 HydrophobicContact CE1-CE1 3.76Å; Y251-Y449 AromaticContact CE1-CZ 3.97Å; Y251-Y449 PolarHBondContact OH-OH 3.42Å; A305-Y449 PolarHBondContact O-OH 2.9Å; W309-Y449 HydrophobicContact CB-CE2 4.08Å; W309-Y449 AromaticContact CE3-CD1 3.65Å; W309-Y449 HydrophobicContact CE3-CD1 3.65Å; W309-Y449 HydrophobicContact CE3-CD2 4.15Å; W309-Y449 AromaticContact CE3-CE1 3.62Å; W309-Y449 HydrophobicContact CE3-CE1 3.62Å; W309-Y449 HydrophobicContact CE3-CE2 4.11Å; W309-Y449 AromaticContact CE3-CG 3.94Å; W309-Y449 HydrophobicContact CE3-CG 3.94Å; W309-Y449 AromaticContact CE3-CZ 3.87Å; W309-Y449 AromaticContact CZ3-CD1 3.63Å; W309-Y449 HydrophobicContact CZ3-CD1 3.63Å; W309-Y449 AromaticContact CZ3-CE1 3.9Å; W309-Y449 HydrophobicContact CZ3-CE1 3.9Å; W309-Y449 HydrophobicContact CZ3-CG 4.12Å; F445-Y449 HydrophobicContact CE2-CD2 4.37Å; F445-Y449 AromaticContact CZ-CD2 3.85Å; F445-Y449 HydrophobicContact CZ-CD2 3.85Å; F445-Y449 HydrophobicContact CZ-CG 4.17Å; F445-Y449 WeakPolarHBondContact O-CB 3.36Å; F445-Y449 PolarHBondContact O-N 3.47Å; N446-Y449 PolarHBondContact O-N 3.19Å; Y449-F452 PolarHBondContact O-N 3.11Å; Y449-Y453 HydrophobicContact CD1-CD2 4.25Å; Y449-Y453 AromaticContact CD2-CD2 3.62Å; Y449-Y453 HydrophobicContact CD2-CD2 3.62Å; Y449-Y453 AromaticContact CD2-CE2 3.55Å; Y449-Y453 HydrophobicContact CD2-CE2 3.55Å; Y449-Y453 HydrophobicContact CE1-CD2 4.09Å; Y449-Y453 AromaticContact CE2-CD2 3.43Å; Y449-Y453 HydrophobicContact CE2-CD2 3.43Å; Y449-Y453 VanDerWaalsContact CE2-CD2 3.43Å; Y449-Y453 AromaticContact CE2-CE2 3.28Å; Y449-Y453 HydrophobicContact CE2-CE2 3.28Å; Y449-Y453 HydrophobicContact CG-CD2 4.02Å; Y449-Y453 HydrophobicContact CG-CE2 4.38Å; Y449-Y453 AromaticContact CZ-CD2 3.67Å; Y449-Y453 AromaticContact CZ-CE2 3.94Å; Y449-Y453 WeakPolarHBondContact O-CD2 3.49Å; Y449-Y453 PolarHBondContact O-N 2.77Å
450	W	91.1	Very high	82.2	Confident	61 Å²	61	67.7 Å²	67.7	23%	0.231	36%	0.359	C	S	.	.	H	α-helix	trans	-66.8	-40	-177.8	-68.5	112.9	0	0	0	111.4	F171 V247 Y251 W309 N446 F452 L454	F171-W450 HydrophobicContact CE1-CZ3 4.11Å; F171-W450 HydrophobicContact CE2-CH2 4.46Å; F171-W450 AromaticContact CE2-CZ3 3.89Å; F171-W450 HydrophobicContact CE2-CZ3 3.89Å; F171-W450 HydrophobicContact CZ-CE3 4.41Å; F171-W450 AromaticContact CZ-CH2 3.86Å; F171-W450 HydrophobicContact CZ-CH2 3.86Å; F171-W450 AromaticContact CZ-CZ3 3.36Å; F171-W450 HydrophobicContact CZ-CZ3 3.36Å; V247-W450 HydrophobicContact CG2-CH2 4.48Å; Y251-W450 AromaticContact CD1-CH2 3.83Å; Y251-W450 HydrophobicContact CD1-CH2 3.83Å; Y251-W450 AromaticContact CD1-CZ2 3.74Å; Y251-W450 HydrophobicContact CD1-CZ2 3.74Å; Y251-W450 HydrophobicContact CE1-CH2 4.09Å; Y251-W450 HydrophobicContact CE1-CZ2 4.2Å; Y251-W450 HydrophobicContact CG-CH2 4.25Å; Y251-W450 HydrophobicContact CG-CZ2 4.39Å; W309-W450 AromaticContact CH2-CZ2 3.89Å; W309-W450 HydrophobicContact CH2-CZ2 3.89Å; W309-W450 AromaticContact CH2-NE1 3.8Å; W309-W450 HydrophobicContact CZ3-CZ2 4.19Å; W309-W450 AromaticContact CZ3-NE1 3.79Å; N446-W450 WeakPolarHBondContact O-CB 3.07Å; N446-W450 PolarHBondContact O-N 3.24Å; N446-W450 PolarHBondContact OD1-NE1 3.39Å; W450-F452 PolarHBondContact O-N 3.49Å; W450-L454 HydrophobicContact CB-CD1 4.38Å; W450-L454 HydrophobicContact CE3-CD1 3.85Å; W450-L454 HydrophobicContact CE3-CG 4.15Å; W450-L454 WeakPolarHBondContact O-CB 3.46Å; W450-L454 WeakPolarHBondContact O-CG 3.08Å; W450-L454 PolarHBondContact O-N 3.26Å
451	S	89	Confident	80.4	Confident	70 Å²	70	65.8 Å²	65.8	49%	0.49	34%	0.344	S	S	.	.	H	α-helix	trans	-60.9	-43.8	174.7	-172.4	0	0	0	0	111.6	I447 T455	I447-S451 WeakPolarHBondContact O-CB 3.15Å; I447-S451 PolarHBondContact O-N 3.08Å; S451-T455 WeakPolarHBondContact O-CB 3.36Å; S451-T455 PolarHBondContact O-N 3.1Å; S451-T455 VanDerWaalsContact O-N 3.14Å; S451-T455 PolarHBondContact O-OG1 3.18Å
452	F	89.4	Confident	78.3	Confident	127 Å²	127	70 Å²	70	56%	0.557	36%	0.364	S	S	*	.	H	α-helix	trans	-67.7	-50.6	-179.4	-179	-100.4	0	0	0	112	S448 Y449 W450 S456	S448-F452 VanDerWaalsContact O-CB 3.25Å; S448-F452 WeakPolarHBondContact O-CB 3.28Å; S448-F452 PolarHBondContact O-N 3.2Å; Y449-F452 PolarHBondContact O-N 3.11Å; W450-F452 PolarHBondContact O-N 3.49Å; F452-S456 VanDerWaalsContact O-CB 3.24Å; F452-S456 WeakPolarHBondContact O-CB 3.49Å; F452-S456 PolarHBondContact O-N 2.96Å; F452-S456 PolarHBondContact O-OG 3.41Å
453	Y	86	Confident	76.3	Confident	30 Å²	30	75.4 Å²	75.4	12%	0.118	39%	0.39	C	S	.	.	H	α-helix	trans	-79.3	-25	-173	-74.1	-70.2	0	0	0	114.4	R168 A305 Y449	R168-Y453 HydrophobicContact CG-CD1 4.43Å; A305-Y453 HydrophobicContact CB-CD1 3.62Å; A305-Y453 HydrophobicContact CB-CD2 4.34Å; A305-Y453 HydrophobicContact CB-CE1 3.32Å; A305-Y453 HydrophobicContact CB-CE2 4.1Å; A305-Y453 HydrophobicContact CB-CG 4.13Å; Y449-Y453 HydrophobicContact CD1-CD2 4.25Å; Y449-Y453 AromaticContact CD2-CD2 3.62Å; Y449-Y453 HydrophobicContact CD2-CD2 3.62Å; Y449-Y453 AromaticContact CD2-CE2 3.55Å; Y449-Y453 HydrophobicContact CD2-CE2 3.55Å; Y449-Y453 HydrophobicContact CE1-CD2 4.09Å; Y449-Y453 AromaticContact CE2-CD2 3.43Å; Y449-Y453 HydrophobicContact CE2-CD2 3.43Å; Y449-Y453 VanDerWaalsContact CE2-CD2 3.43Å; Y449-Y453 AromaticContact CE2-CE2 3.28Å; Y449-Y453 HydrophobicContact CE2-CE2 3.28Å; Y449-Y453 HydrophobicContact CG-CD2 4.02Å; Y449-Y453 HydrophobicContact CG-CE2 4.38Å; Y449-Y453 AromaticContact CZ-CD2 3.67Å; Y449-Y453 AromaticContact CZ-CE2 3.94Å; Y449-Y453 WeakPolarHBondContact O-CD2 3.49Å; Y449-Y453 PolarHBondContact O-N 2.77Å
454	L	82.3	Confident	74.2	Confident	82 Å²	82	71.2 Å²	71.2	43%	0.429	37%	0.37	S	S	.	.	H	α-helix	trans	-88.9	-39.8	175.6	-63.4	175.3	0	0	0	112.9	F171 W450 L457	F171-L454 HydrophobicContact CD1-CD2 4.13Å; F171-L454 HydrophobicContact CE1-CD2 4.38Å; F171-L454 HydrophobicContact CG-CD2 4.42Å; W450-L454 HydrophobicContact CB-CD1 4.38Å; W450-L454 HydrophobicContact CE3-CD1 3.85Å; W450-L454 HydrophobicContact CE3-CG 4.15Å; W450-L454 WeakPolarHBondContact O-CB 3.46Å; W450-L454 WeakPolarHBondContact O-CG 3.08Å; W450-L454 PolarHBondContact O-N 3.26Å; L454-L457 VanDerWaalsContact O-CB 3.3Å; L454-L457 WeakPolarHBondContact O-CB 3.47Å; L454-L457 PolarHBondContact O-N 2.93Å
455	T	73.3	Confident	71.9	Confident	85 Å²	85	69.4 Å²	69.4	52%	0.521	36%	0.363	S	S	.	.	H	α-helix	trans	-73.7	-41	-175.9	-44	0	0	0	0	111.7	S451 L457 S458	S451-T455 WeakPolarHBondContact O-CB 3.36Å; S451-T455 PolarHBondContact O-N 3.1Å; S451-T455 VanDerWaalsContact O-N 3.14Å; S451-T455 PolarHBondContact O-OG1 3.18Å; T455-L457 PolarHBondContact O-N 3.4Å; T455-L457 VanDerWaalsContact O-N 3.09Å; T455-S458 PolarHBondContact O-N 3.05Å; T455-S458 PolarHBondContact O-OG 3.42Å
456	S	59.3	Low	69.3	Low	18 Å²	18	73.2 Å²	73.2	13%	0.126	39%	0.385	C	S	.	.	H	α-helix	trans	-69.2	-5.4	178.5	68.9	0	0	0	0	114.3	R168 F452 S458 Y460	R168-S456 PolarHBondContact NH1-O 3.14Å; R168-S456 PolarHBondContact NH2-O 3.49Å; R168-S456 PolarHBondContact NH2-OG 3.06Å; F452-S456 VanDerWaalsContact O-CB 3.24Å; F452-S456 WeakPolarHBondContact O-CB 3.49Å; F452-S456 PolarHBondContact O-N 2.96Å; F452-S456 PolarHBondContact O-OG 3.41Å; S456-S458 VanDerWaalsContact C-N 3.32Å; S456-Y460 PolarHBondContact O-N 3.19Å
457	L	58.4	Low	67.1	Low	45 Å²	45	77.9 Å²	77.9	24%	0.236	41%	0.409	C	S	.	.	H	α-helix	trans	-72.1	-26.7	174.8	-162.3	132.2	0	0	0	112.4	F171 L454 T455	F171-L457 HydrophobicContact CB-CD1 3.84Å; F171-L457 WeakPolarHBondContact O-CD1 3.35Å; L454-L457 VanDerWaalsContact O-CB 3.3Å; L454-L457 WeakPolarHBondContact O-CB 3.47Å; L454-L457 PolarHBondContact O-N 2.93Å; T455-L457 PolarHBondContact O-N 3.4Å; T455-L457 VanDerWaalsContact O-N 3.09Å
458	S	54.2	Low	64.6	Low	78 Å²	78	77 Å²	77	55%	0.545	41%	0.405	S	S	.	.	H	α-helix	trans	-77	-47.6	174.1	66.3	0	0	0	0	111.6	T455 S456	T455-S458 PolarHBondContact O-N 3.05Å; T455-S458 PolarHBondContact O-OG 3.42Å; S456-S458 VanDerWaalsContact C-N 3.32Å
459	E	54.8	Low	61.7	Low	141 Å²	141	80.9 Å²	80.9	66%	0.659	42%	0.416	S	S	*	.	H	α-helix	trans	-74	-37	-167.4	-144.9	166.9	-161.7	0	0	114.1	F461 D462	E459-F461 VanDerWaalsContact C-N 3.31Å; E459-F461 PolarHBondContact O-N 3.23Å; E459-D462 PolarHBondContact O-N 3.41Å
460	Y	52.7	Low	59	Low	85 Å²	85	90.2 Å²	90.2	33%	0.333	48%	0.477	S	S	.	.	H	α-helix	trans	-70.5	-24.2	-178.6	-178.6	-93.3	0	0	0	113.6	R168 S456 D464	R168-Y460 VanDerWaalsContact NH1-CB 3.26Å; S456-Y460 PolarHBondContact O-N 3.19Å; Y460-D464 WeakPolarHBondContact CE1-OD2 3.49Å; Y460-D464 VanDerWaalsContact CZ-OD2 3.23Å; Y460-D464 PolarHBondContact O-N 3.49Å; Y460-D464 PolarHBondContact OH-OD2 2.98Å
461	F	53.7	Low	57.4	Low	32 Å²	32	91.7 Å²	91.7	14%	0.14	49%	0.49	C	S	.	.	H	α-helix	trans	-82.7	-26.5	179.8	-99.2	-88.2	0	0	0	113.1	K173 V238 E459 E463 V465	K173-F461 HydrophobicContact CB-CE1 4.09Å; K173-F461 HydrophobicContact CB-CE2 3.52Å; K173-F461 HydrophobicContact CB-CZ 3.22Å; K173-F461 HydrophobicContact CD-CD1 4.26Å; K173-F461 HydrophobicContact CD-CD2 3.91Å; K173-F461 HydrophobicContact CD-CE1 3.96Å; K173-F461 HydrophobicContact CD-CE2 3.6Å; K173-F461 HydrophobicContact CD-CG 4.25Å; K173-F461 HydrophobicContact CD-CZ 3.65Å; K173-F461 HydrophobicContact CG-CE2 4.06Å; K173-F461 HydrophobicContact CG-CZ 4.05Å; V238-F461 HydrophobicContact CG1-CE1 4.23Å; E459-F461 VanDerWaalsContact C-N 3.31Å; E459-F461 PolarHBondContact O-N 3.23Å; F461-E463 VanDerWaalsContact C-N 3.27Å; F461-E463 PolarHBondContact O-N 3.12Å; F461-V465 WeakPolarHBondContact O-CB 3.41Å; F461-V465 WeakPolarHBondContact O-CG2 3.36Å; F461-V465 PolarHBondContact O-N 3.25Å; F461-V465 VanDerWaalsContact O-N 3.12Å
462	D	50.8	Low	55.7	Low	111 Å²	111	92.8 Å²	92.8	59%	0.594	49%	0.49	S	S	*	.	H	α-helix	trans	-69.8	-27.5	174.2	-73.9	-30	0	0	0	111.7	E459 N466	E459-D462 PolarHBondContact O-N 3.41Å; D462-N466 WeakPolarHBondContact O-CB 3.39Å; D462-N466 PolarHBondContact O-N 3Å; D462-N466 PolarHBondContact O-ND2 3.27Å
463	E	51.4	Low	53.9	Low	130 Å²	130	90.9 Å²	90.9	61%	0.607	49%	0.486	S	S	*	.	H	α-helix	trans	-75.4	-49.4	173.5	-72.1	-176	156.6	0	0	112.2	F461 V465 N466 I467	F461-E463 VanDerWaalsContact C-N 3.27Å; F461-E463 PolarHBondContact O-N 3.12Å; E463-V465 PolarHBondContact O-N 3.13Å; E463-N466 PolarHBondContact O-N 3.44Å; E463-I467 WeakPolarHBondContact O-CD1 3.18Å; E463-I467 VanDerWaalsContact O-CG1 3.25Å; E463-I467 WeakPolarHBondContact O-CG1 3.39Å; E463-I467 PolarHBondContact O-N 3.38Å
464	D	48.7	Very low	52	Low	41 Å²	41	94.5 Å²	94.5	22%	0.219	51%	0.508	C	S	.	.	H	α-helix	trans	-72.1	-9.6	-179.9	-86.8	-12.3	0	0	0	113.4	K175 Y460	K175-D464 PolarHBondContact NZ-O 3.11Å; Y460-D464 WeakPolarHBondContact CE1-OD2 3.49Å; Y460-D464 VanDerWaalsContact CZ-OD2 3.23Å; Y460-D464 PolarHBondContact O-N 3.49Å; Y460-D464 PolarHBondContact OH-OD2 2.98Å
465	V	47.6	Very low	50.1	Low	80 Å²	80	95.3 Å²	95.3	49%	0.485	51%	0.513	S	S	.	.	H	α-helix	trans	-90.1	-30.7	171.1	169.9	0	0	0	0	111.5	F461 E463	F461-V465 WeakPolarHBondContact O-CB 3.41Å; F461-V465 WeakPolarHBondContact O-CG2 3.36Å; F461-V465 PolarHBondContact O-N 3.25Å; F461-V465 VanDerWaalsContact O-N 3.12Å; E463-V465 PolarHBondContact O-N 3.13Å
466	N	39.5	Very low	48.5	Very low	117 Å²	117	96 Å²	96	63%	0.626	51%	0.512	S	S	*	.	H	α-helix	trans	-85.3	-14.3	-179.6	-80.9	-46.2	0	0	0	114.1	D462 E463	D462-N466 WeakPolarHBondContact O-CB 3.39Å; D462-N466 PolarHBondContact O-N 3Å; D462-N466 PolarHBondContact O-ND2 3.27Å; E463-N466 PolarHBondContact O-N 3.44Å
467	I	47.5	Very low	47.8	Very low	124 Å²	124	101.6 Å²	101.6	64%	0.636	54%	0.54	S	S	*	.	S	Bend	trans	-84	-17.2	180	-65.1	163.8	0	0	0	112.4	E463	E463-I467 WeakPolarHBondContact O-CD1 3.18Å; E463-I467 VanDerWaalsContact O-CG1 3.25Å; E463-I467 WeakPolarHBondContact O-CG1 3.39Å; E463-I467 PolarHBondContact O-N 3.38Å
468	D	41.6	Very low	46.9	Very low	85 Å²	85	105.9 Å²	105.9	46%	0.455	56%	0.563	S	S	.	*	S	Bend	trans	-105.4	15.8	-176.7	-68.6	-30.3	0	0	0	114	K175	K175-D468 IonicContact NZ-OD2 2.75Å
469	Q	30.5	Very low	46.3	Very low	150 Å²	150	108.3 Å²	108.3	70%	0.701	56%	0.564	S	S	*	*			trans	-103.7	124.5	162.8	-70.1	-165	-50	0	0	108.8
470	P	37.4	Very low	45.6	Very low	203 Å²	203	105.3 Å²	105.3	100%	1.318	56%	0.556	S	S	*	*			trans	-62	0	175.8	26.6	-33.7	0	0	0	112.8

Retrieved 470 of 470 residues in 394.1 ms (Link to these results)

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