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procollagen-proline 4-dioxygenase

Catalyzes the post-translational formation of 4-hydroxyproline in -Xaa-Pro-Gly- sequences in collagens and other proteins.

AlphaFold DB , UniProt , Accession Z4YHZ5, Species DANRE (Danio rerio, Zebrafish), Gene si:ch211-265g22.3, Length 490 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	36.2	Very low	39.6	Very low	230 Å²	230	146.6 Å²	146.6	100%	1.133	77%	0.769	S	S	*	*				0	-23.4	0	-139.6	171.9	-100.1	0	0	111.7	M3	M1-M3 PolarHBondContact O-N 3.3Å
2	A	43.3	Very low	39.3	Very low	83 Å²	83	144.8 Å²	144.8	69%	0.686	78%	0.775	S	S	*	*	G	3₁₀ helix	trans	-63.7	-26.2	174.6	0	0	0	0	0	116	K4 E5	A2-K4 PolarHBondContact O-N 3.07Å; A2-K4 VanDerWaalsContact O-N 3.14Å; A2-E5 PolarHBondContact O-N 3.11Å
3	M	42.4	Very low	39.4	Very low	161 Å²	161	141.8 Å²	141.8	79%	0.793	77%	0.772	S	S	*	*	G	3₁₀ helix	trans	-64.4	-16.7	-179	-81.5	177.6	71.8	0	0	115.8	M1 T7	M1-M3 PolarHBondContact O-N 3.3Å; M3-T7 PolarHBondContact O-OG1 2.85Å
4	K	38.1	Very low	39.3	Very low	175 Å²	175	148.6 Å²	148.6	76%	0.761	78%	0.781	S	S	*	*	G	3₁₀ helix	trans	-89.5	-12.6	-179.4	-82.4	-169.6	174.1	-173	0	113.9	A2	A2-K4 PolarHBondContact O-N 3.07Å; A2-K4 VanDerWaalsContact O-N 3.14Å
5	E	40.1	Very low	39.2	Very low	155 Å²	155	153.3 Å²	153.3	72%	0.724	79%	0.793	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-31	179.7	-65.5	-168.1	168.1	0	0	112.1	A2 T7	A2-E5 PolarHBondContact O-N 3.11Å; E5-T7 PolarHBondContact O-N 3.38Å
6	L	42.8	Very low	39.1	Very low	130 Å²	130	151.1 Å²	151.1	68%	0.681	79%	0.788	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	-28.7	177.8	-122.6	92.6	0	0	0	113.9
7	T	40.1	Very low	38.9	Very low	98 Å²	98	147.7 Å²	147.7	60%	0.601	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-14.5	-175	38.2	0	0	0	0	113.8	M3 E5	M3-T7 PolarHBondContact O-OG1 2.85Å; E5-T7 PolarHBondContact O-N 3.38Å
8	L	35.1	Very low	39	Very low	148 Å²	148	147.8 Å²	147.8	78%	0.775	78%	0.78	S	S	*	*	G	3₁₀ helix	trans	-85.2	-14.1	-176.1	-137	87.7	0	0	0	113.9
9	F	40.8	Very low	39.5	Very low	193 Å²	193	145.5 Å²	145.5	85%	0.846	77%	0.772	S	S	*	*	G	3₁₀ helix	trans	-85	-5.4	-178.1	-96.1	-82.6	0	0	0	114.8
10	V	42	Very low	40.6	Very low	113 Å²	113	146.3 Å²	146.3	69%	0.685	77%	0.771	S	S	*	*	G	3₁₀ helix	trans	-95.6	-0.2	-168.6	-176.4	0	0	0	0	114.6
11	V	34.9	Very low	42	Very low	127 Å²	127	142.7 Å²	142.7	77%	0.77	75%	0.75	S	S	*	*	S	Bend	trans	-111.5	8.1	-169.3	-166.3	0	0	0	0	115.5
12	C	35.9	Very low	44.1	Very low	125 Å²	125	133.9 Å²	133.9	85%	0.845	71%	0.706	S	S	*	*			trans	-131.1	54.1	179.2	-75.6	0	0	0	0	113.8
13	S	40.3	Very low	46.1	Very low	105 Å²	105	130.4 Å²	130.4	73%	0.734	68%	0.675	S	S	*	*			trans	-118.6	99.5	164.3	23.6	0	0	0	0	108.5
14	W	38.9	Very low	48.1	Very low	237 Å²	237	123.5 Å²	123.5	90%	0.898	64%	0.641	S	S	*	*			trans	-51.5	148.3	163.9	-79	42.4	0	0	0	109	V16	W14-V16 PolarHBondContact O-N 3.23Å
15	F	36.7	Very low	50.3	Low	220 Å²	220	115.1 Å²	115.1	97%	0.965	61%	0.605	S	S	*	*			trans	-58.8	74.8	169.8	-77.4	-94.3	0	0	0	110.3	S17	F15-S17 PolarHBondContact O-N 2.96Å
16	V	38	Very low	52.5	Low	117 Å²	117	107.8 Å²	107.8	71%	0.709	57%	0.57	S	S	*	*			trans	-72.7	112.8	157.1	-178.7	0	0	0	0	103.1	W14 I18	W14-V16 PolarHBondContact O-N 3.23Å; V16-I18 PolarHBondContact O-N 3.1Å
17	S	35.2	Very low	54.6	Low	94 Å²	94	103.6 Å²	103.6	66%	0.657	55%	0.55	S	S	*	*			trans	-44.9	110.6	162	-179.7	0	0	0	0	106.2	F15 T19	F15-S17 PolarHBondContact O-N 2.96Å; S17-T19 PolarHBondContact O-N 2.96Å
18	I	41.1	Very low	56.8	Low	150 Å²	150	99.5 Å²	99.5	77%	0.769	53%	0.525	S	S	*	.			trans	-64.9	88	172.1	-58.8	170.2	0	0	0	104	V16 E20	V16-I18 PolarHBondContact O-N 3.1Å; I18-E20 PolarHBondContact O-N 3.1Å
19	T	48.8	Very low	59.3	Low	103 Å²	103	93.1 Å²	93.1	63%	0.632	49%	0.491	S	S	*	.			trans	-60.6	119.2	159.4	45.7	0	0	0	0	104.4	S17 Q21	S17-T19 PolarHBondContact O-N 2.96Å; T19-Q21 PolarHBondContact O-N 2.61Å
20	E	60.6	Low	61.6	Low	162 Å²	162	86.1 Å²	86.1	76%	0.757	46%	0.464	S	S	*	.			trans	-40.9	112	171.2	-75.5	169.8	-179.2	0	0	108.2	I18 E22	I18-E20 PolarHBondContact O-N 3.1Å; E20-E22 PolarHBondContact O-N 3.47Å
21	Q	70.2	Confident	63.8	Low	71 Å²	71	83.4 Å²	83.4	33%	0.332	45%	0.45	S	S	.	.			trans	-86.1	111.9	-173.3	-174.6	168.7	-0.7	0	0	107.6	T19 F23	T19-Q21 PolarHBondContact O-N 2.61Å; Q21-F23 HydrophobicContact CB-CE2 4.47Å; Q21-F23 HydrophobicContact CB-CZ 4.35Å; Q21-F23 HydrophobicContact CG-CE1 4.18Å; Q21-F23 HydrophobicContact CG-CE2 4.43Å; Q21-F23 HydrophobicContact CG-CZ 4Å; Q21-F23 WeakPolarHBondContact O-CD2 3.1Å; Q21-F23 WeakPolarHBondContact O-CE2 3.47Å
22	E	80.6	Confident	66.3	Low	45 Å²	45	80.8 Å²	80.8	21%	0.21	43%	0.429	C	S	.	.			trans	-92	112.2	-176.6	-174.9	-164.6	-122.2	0	0	110.5	E20 F24 S25 Q29 R335 Q350	E20-E22 PolarHBondContact O-N 3.47Å; E22-F24 HydrophobicContact CG-CD1 3.44Å; E22-F24 VanDerWaalsContact CG-CD1 3.44Å; E22-F24 HydrophobicContact CG-CE1 3.19Å; E22-F24 HydrophobicContact CG-CG 4.46Å; E22-F24 HydrophobicContact CG-CZ 4.02Å; E22-F24 WeakPolarHBondContact OE1-CE1 3.47Å; E22-F24 WeakPolarHBondContact OE1-CZ 3.25Å; E22-S25 PolarHBondContact O-OG 2.94Å; E22-S25 WeakPolarHBondContact OE2-CB 3.33Å; E22-S25 PolarHBondContact OE2-OG 3.08Å; E22-Q29 PolarHBondContact O-OE1 3.45Å; E22-Q29 VanDerWaalsContact O-OE1 3.05Å; E22-R335 IonicContact OE1-CZ 3.52Å; E22-R335 IonicContact OE1-NH1 3.16Å; E22-R335 PolarHBondContact OE1-NH1 3.31Å; E22-R335 WeakPolarHBondContact OE2-CD 3.23Å; E22-R335 IonicContact OE2-CZ 2.68Å; E22-R335 IonicContact OE2-NE 3.92Å; E22-R335 IonicContact OE2-NH1 2.69Å; E22-R335 PolarHBondContact OE2-NH1 2.98Å; E22-Q350 PolarHBondContact O-NE2 3.36Å
23	F	85.8	Confident	68.9	Low	9 Å²	9	76.5 Å²	76.5	4%	0.039	40%	0.398	C	S	.	.			trans	-85.3	-40.5	-173.6	-64.4	-82.2	0	0	0	112.8	Q21 S25 S26 Q29 V30 L33 L120 P122 D126	Q21-F23 HydrophobicContact CB-CE2 4.47Å; Q21-F23 HydrophobicContact CB-CZ 4.35Å; Q21-F23 HydrophobicContact CG-CE1 4.18Å; Q21-F23 HydrophobicContact CG-CE2 4.43Å; Q21-F23 HydrophobicContact CG-CZ 4Å; Q21-F23 WeakPolarHBondContact O-CD2 3.1Å; Q21-F23 WeakPolarHBondContact O-CE2 3.47Å; F23-S25 PolarHBondContact O-N 2.83Å; F23-S26 PolarHBondContact O-N 2.81Å; F23-S26 VanDerWaalsContact O-N 3.13Å; F23-S26 VanDerWaalsContact O-O 3.12Å; F23-Q29 HydrophobicContact CD1-CB 4.21Å; F23-V30 HydrophobicContact CB-CG2 4.37Å; F23-V30 WeakPolarHBondContact O-CG2 3.32Å; F23-L33 HydrophobicContact CB-CD1 4.32Å; F23-L33 HydrophobicContact CD1-CD1 4.01Å; F23-L33 HydrophobicContact CD1-CD2 3.73Å; F23-L33 HydrophobicContact CD1-CG 3.93Å; F23-L33 HydrophobicContact CE1-CD2 3.49Å; F23-L33 VanDerWaalsContact CE1-CD2 3.49Å; F23-L33 HydrophobicContact CE1-CG 4.16Å; F23-L33 HydrophobicContact CE2-CD2 4.48Å; F23-L33 HydrophobicContact CG-CD1 4.14Å; F23-L33 HydrophobicContact CG-CD2 4.35Å; F23-L33 HydrophobicContact CZ-CD2 3.91Å; F23-L120 HydrophobicContact CZ-CB 4.06Å; F23-P122 HydrophobicContact CD2-CB 4.09Å; F23-P122 HydrophobicContact CD2-CG 4.05Å; F23-P122 HydrophobicContact CE2-CG 4.42Å; F23-P122 HydrophobicContact CG-CG 4.47Å; F23-D126 PolarHBondContact N-OD1 3.21Å
24	F	84.6	Confident	71.3	Confident	16 Å²	16	78.2 Å²	78.2	7%	0.07	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-22.2	-170.3	76.5	-92.5	0	0	0	113.9	E22 D126 S129 A130 R335 T348 G387 I388	E22-F24 HydrophobicContact CG-CD1 3.44Å; E22-F24 VanDerWaalsContact CG-CD1 3.44Å; E22-F24 HydrophobicContact CG-CE1 3.19Å; E22-F24 HydrophobicContact CG-CG 4.46Å; E22-F24 HydrophobicContact CG-CZ 4.02Å; E22-F24 WeakPolarHBondContact OE1-CE1 3.47Å; E22-F24 WeakPolarHBondContact OE1-CZ 3.25Å; F24-D126 PolarHBondContact N-OD1 3.01Å; F24-S129 VanDerWaalsContact CD1-CB 3.42Å; F24-S129 VanDerWaalsContact CD2-CB 3.45Å; F24-S129 WeakPolarHBondContact CE1-OG 3.42Å; F24-S129 VanDerWaalsContact CE2-CB 3.4Å; F24-S129 VanDerWaalsContact CG-CB 3.45Å; F24-S129 WeakPolarHBondContact CZ-OG 3.12Å; F24-A130 HydrophobicContact CB-CB 4.33Å; F24-R335 VanDerWaalsContact CE2-NH1 3.32Å; F24-T348 HydrophobicContact CD2-CG2 3.97Å; F24-T348 HydrophobicContact CE2-CG2 3.67Å; F24-G387 CarbonylContact O-C 3.49Å; F24-G387 VanDerWaalsContact O-CA 3.24Å; F24-G387 WeakPolarHBondContact O-CA 3.46Å; F24-I388 PolarHBondContact O-N 3.31Å
25	S	83.9	Confident	73.8	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-2.3	-174.7	69.9	0	0	0	0	114.9	E22 F23 S349 Q350 Y386 G387	E22-S25 PolarHBondContact O-OG 2.94Å; E22-S25 WeakPolarHBondContact OE2-CB 3.33Å; E22-S25 PolarHBondContact OE2-OG 3.08Å; F23-S25 PolarHBondContact O-N 2.83Å; S25-S349 WeakPolarHBondContact O-CA 3.43Å; S25-Q350 PolarHBondContact O-N 3Å; S25-Q350 VanDerWaalsContact OG-CG 3.28Å; S25-Q350 WeakPolarHBondContact OG-CG 3.33Å; S25-Q350 PolarHBondContact OG-NE2 2.93Å; S25-Y386 CarbonylContact O-C 3.59Å; S25-G387 VanDerWaalsContact O-CA 3.25Å; S25-G387 WeakPolarHBondContact O-CA 3.39Å; S25-G387 PolarHBondContact O-N 2.88Å
26	S	86.3	Confident	76.4	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	34%	0.336	C	S	.	.			trans	-142.3	117.8	173.9	171.4	0	0	0	0	111.3	F23 D28 Q29 V30 Q350 N385	F23-S26 PolarHBondContact O-N 2.81Å; F23-S26 VanDerWaalsContact O-N 3.13Å; F23-S26 VanDerWaalsContact O-O 3.12Å; S26-D28 PolarHBondContact O-N 3.01Å; S26-D28 PolarHBondContact OG-N 3.41Å; S26-Q29 PolarHBondContact O-N 3.36Å; S26-Q29 PolarHBondContact OG-N 3.31Å; S26-Q29 VanDerWaalsContact OG-N 3.11Å; S26-V30 WeakPolarHBondContact O-CG2 3.25Å; S26-V30 PolarHBondContact O-N 2.97Å; S26-Q350 VanDerWaalsContact CB-CD 3.44Å; S26-N385 VanDerWaalsContact CA-OD1 3.28Å; S26-N385 WeakPolarHBondContact CA-OD1 3.41Å; S26-N385 WeakPolarHBondContact CB-OD1 3.11Å; S26-N385 PolarHBondContact OG-OD1 3.22Å
27	V	86.7	Confident	79.1	Confident	43 Å²	43	62.5 Å²	62.5	26%	0.261	33%	0.327	S	S	.	.	H	α-helix	trans	-62.2	-29.8	172.4	173.5	0	0	0	0	111.2	S31 N385 Y386 N465	V27-S31 PolarHBondContact O-N 2.58Å; V27-N385 PolarHBondContact N-OD1 2.95Å; V27-N385 VanDerWaalsContact N-OD1 3.12Å; V27-Y386 WeakPolarHBondContact CG2-O 3.32Å; V27-Y386 PolarHBondContact N-O 3.29Å; V27-N465 HydrophobicContact CG1-CB 4.04Å
28	D	87.2	Confident	81.9	Confident	12 Å²	12	63.5 Å²	63.5	6%	0.064	32%	0.321	C	S	.	.	H	α-helix	trans	-65.7	-44.2	173.5	-169.6	92.7	0	0	0	112	S26 S31 Q32 R330 N385 W467	S26-D28 PolarHBondContact O-N 3.01Å; S26-D28 PolarHBondContact OG-N 3.41Å; D28-S31 WeakPolarHBondContact O-CB 3.38Å; D28-S31 PolarHBondContact O-N 2.8Å; D28-S31 VanDerWaalsContact O-N 3.14Å; D28-S31 PolarHBondContact O-OG 3.37Å; D28-Q32 PolarHBondContact O-N 2.93Å; D28-Q32 PolarHBondContact OD2-NE2 3.48Å; D28-R330 IonicContact OD1-NE 3.61Å; D28-R330 PolarHBondContact OD1-NE 3.45Å; D28-R330 VanDerWaalsContact OD1-NE 3.16Å; D28-R330 WeakPolarHBondContact OD2-CD 3.42Å; D28-R330 WeakPolarHBondContact OD2-CG 3.44Å; D28-R330 IonicContact OD2-NE 3.54Å; D28-N385 PolarHBondContact N-OD1 3.46Å; D28-W467 HydrophobicContact CB-CH2 4.43Å; D28-W467 HydrophobicContact CB-CZ2 3.56Å; D28-W467 WeakPolarHBondContact OD1-CZ2 3.44Å
29	Q	86.2	Confident	84.3	Confident	13 Å²	13	60.4 Å²	60.4	6%	0.061	31%	0.307	C	S	.	.	H	α-helix	trans	-66.1	-40.5	175	-69.7	-163.6	-10.4	0	0	112.6	E22 F23 S26 S31 Q32	E22-Q29 PolarHBondContact O-OE1 3.45Å; E22-Q29 VanDerWaalsContact O-OE1 3.05Å; F23-Q29 HydrophobicContact CD1-CB 4.21Å; S26-Q29 PolarHBondContact O-N 3.36Å; S26-Q29 PolarHBondContact OG-N 3.31Å; S26-Q29 VanDerWaalsContact OG-N 3.11Å; Q29-S31 PolarHBondContact O-N 2.72Å; Q29-Q32 WeakPolarHBondContact O-CB 3.35Å; Q29-Q32 PolarHBondContact O-N 3.25Å
30	V	89.6	Confident	86.5	Confident	47 Å²	47	57.2 Å²	57.2	29%	0.285	29%	0.286	S	S	.	.	H	α-helix	trans	-56.8	-37.4	172	175.6	0	0	0	0	111	F23 S26 Q32 L33	F23-V30 HydrophobicContact CB-CG2 4.37Å; F23-V30 WeakPolarHBondContact O-CG2 3.32Å; S26-V30 WeakPolarHBondContact O-CG2 3.25Å; S26-V30 PolarHBondContact O-N 2.97Å; V30-Q32 PolarHBondContact O-N 3.49Å; V30-L33 VanDerWaalsContact O-CB 3.3Å; V30-L33 WeakPolarHBondContact O-CB 3.46Å; V30-L33 PolarHBondContact O-N 3.1Å; V30-L33 VanDerWaalsContact O-N 3.14Å
31	S	88	Confident	88.2	Confident	56 Å²	56	54.6 Å²	54.6	39%	0.392	28%	0.276	S	S	.	.	H	α-helix	trans	-65.7	-25	178.4	79.9	0	0	0	0	113.6	V27 D28 Q29 L33 F34	V27-S31 PolarHBondContact O-N 2.58Å; D28-S31 WeakPolarHBondContact O-CB 3.38Å; D28-S31 PolarHBondContact O-N 2.8Å; D28-S31 VanDerWaalsContact O-N 3.14Å; D28-S31 PolarHBondContact O-OG 3.37Å; Q29-S31 PolarHBondContact O-N 2.72Å; S31-L33 VanDerWaalsContact C-N 3.28Å; S31-L33 PolarHBondContact O-N 2.86Å; S31-F34 PolarHBondContact O-N 3.47Å
32	Q	86.5	Confident	89.3	Confident	72 Å²	72	56 Å²	56	34%	0.336	29%	0.286	S	S	.	.	H	α-helix	trans	-72.3	-24.7	176.8	-61	174.8	27.4	0	0	111.9	D28 Q29 V30 F34 N35 E36	D28-Q32 PolarHBondContact O-N 2.93Å; D28-Q32 PolarHBondContact OD2-NE2 3.48Å; Q29-Q32 WeakPolarHBondContact O-CB 3.35Å; Q29-Q32 PolarHBondContact O-N 3.25Å; V30-Q32 PolarHBondContact O-N 3.49Å; Q32-F34 PolarHBondContact O-N 3.32Å; Q32-N35 PolarHBondContact O-N 2.95Å; Q32-E36 PolarHBondContact O-N 2.84Å
33	L	91.5	Very high	89.9	Confident	34 Å²	34	55.6 Å²	55.6	18%	0.178	29%	0.287	C	S	.	.	H	α-helix	trans	-63.5	-21.4	177.9	-62	175.8	0	0	0	113.1	F23 V30 S31 E36 E37 L120 P122	F23-L33 HydrophobicContact CB-CD1 4.32Å; F23-L33 HydrophobicContact CD1-CD1 4.01Å; F23-L33 HydrophobicContact CD1-CD2 3.73Å; F23-L33 HydrophobicContact CD1-CG 3.93Å; F23-L33 HydrophobicContact CE1-CD2 3.49Å; F23-L33 VanDerWaalsContact CE1-CD2 3.49Å; F23-L33 HydrophobicContact CE1-CG 4.16Å; F23-L33 HydrophobicContact CE2-CD2 4.48Å; F23-L33 HydrophobicContact CG-CD1 4.14Å; F23-L33 HydrophobicContact CG-CD2 4.35Å; F23-L33 HydrophobicContact CZ-CD2 3.91Å; V30-L33 VanDerWaalsContact O-CB 3.3Å; V30-L33 WeakPolarHBondContact O-CB 3.46Å; V30-L33 PolarHBondContact O-N 3.1Å; V30-L33 VanDerWaalsContact O-N 3.14Å; S31-L33 VanDerWaalsContact C-N 3.28Å; S31-L33 PolarHBondContact O-N 2.86Å; L33-E36 PolarHBondContact O-N 2.72Å; L33-E37 WeakPolarHBondContact O-CB 3.45Å; L33-E37 PolarHBondContact O-N 3.38Å; L33-L120 WeakPolarHBondContact CD2-O 3.43Å; L33-P122 HydrophobicContact CD1-CG 3.6Å; L33-P122 HydrophobicContact CD2-CG 4.19Å
34	F	91.3	Very high	90.4	Very high	141 Å²	141	59.7 Å²	59.7	62%	0.618	31%	0.305	S	S	*	.	H	α-helix	trans	-61.4	-44.4	173.6	-82	-73.6	0	0	0	112.2	S31 Q32 E36 E37 E38	S31-F34 PolarHBondContact O-N 3.47Å; Q32-F34 PolarHBondContact O-N 3.32Å; F34-E36 VanDerWaalsContact C-N 3.29Å; F34-E37 PolarHBondContact O-N 2.86Å; F34-E38 PolarHBondContact O-N 2.9Å; F34-E38 VanDerWaalsContact O-N 3.08Å
35	N	90.7	Very high	90.9	Very high	101 Å²	101	61.9 Å²	61.9	54%	0.54	32%	0.322	S	S	.	.	H	α-helix	trans	-69.2	-34.4	177.7	-62.1	-36.5	0	0	0	110.5	Q32 N39	Q32-N35 PolarHBondContact O-N 2.95Å; N35-N39 WeakPolarHBondContact O-CB 3.34Å; N35-N39 PolarHBondContact O-N 3.12Å; N35-N39 PolarHBondContact O-ND2 2.65Å; N35-N39 VanDerWaalsContact O-ND2 3.13Å
36	E	91.5	Very high	91.3	Very high	31 Å²	31	67.1 Å²	67.1	15%	0.145	35%	0.349	C	S	.	.	H	α-helix	trans	-66.7	-42.6	175.7	-170	65	-168.7	0	0	111.8	Q32 L33 F34 E38 N39 L40 S119 L120	Q32-E36 PolarHBondContact O-N 2.84Å; L33-E36 PolarHBondContact O-N 2.72Å; F34-E36 VanDerWaalsContact C-N 3.29Å; E36-E38 PolarHBondContact O-N 3.28Å; E36-N39 PolarHBondContact O-N 2.78Å; E36-L40 HydrophobicContact CG-CD1 4.15Å; E36-L40 HydrophobicContact CG-CG 4.44Å; E36-L40 WeakPolarHBondContact O-CB 3.29Å; E36-L40 VanDerWaalsContact O-CG 3.27Å; E36-L40 WeakPolarHBondContact O-CG 3.29Å; E36-L40 PolarHBondContact O-N 3.29Å; E36-S119 WeakPolarHBondContact OE1-CA 3.15Å; E36-S119 WeakPolarHBondContact OE1-CB 3.44Å; E36-S119 PolarHBondContact OE1-OG 2.91Å; E36-L120 HydrophobicContact CG-CB 3.98Å; E36-L120 PolarHBondContact OE1-N 3.09Å; E36-L120 VanDerWaalsContact OE1-N 3.13Å
37	E	94.3	Very high	91.7	Very high	113 Å²	113	69.3 Å²	69.3	53%	0.528	36%	0.358	S	S	.	.	H	α-helix	trans	-61	-45.2	175.5	-176.3	178.8	-154	0	0	111.4	L33 F34 N39 L40 L41	L33-E37 WeakPolarHBondContact O-CB 3.45Å; L33-E37 PolarHBondContact O-N 3.38Å; F34-E37 PolarHBondContact O-N 2.86Å; E37-N39 VanDerWaalsContact C-N 3.35Å; E37-N39 PolarHBondContact O-N 3.17Å; E37-L40 PolarHBondContact O-N 3.01Å; E37-L41 HydrophobicContact CG-CD1 4.13Å; E37-L41 HydrophobicContact CG-CG 4.44Å; E37-L41 WeakPolarHBondContact O-CB 3.49Å; E37-L41 VanDerWaalsContact O-CG 3.28Å; E37-L41 WeakPolarHBondContact O-CG 3.34Å; E37-L41 PolarHBondContact O-N 2.73Å
38	E	94.3	Very high	92.1	Very high	114 Å²	114	70.7 Å²	70.7	53%	0.533	36%	0.363	S	S	.	.	H	α-helix	trans	-58.2	-47	175.2	-173.4	174.8	-168	0	0	111.2	F34 E36 L40 L41 D42	F34-E38 PolarHBondContact O-N 2.9Å; F34-E38 VanDerWaalsContact O-N 3.08Å; E36-E38 PolarHBondContact O-N 3.28Å; E38-L40 VanDerWaalsContact C-N 3.35Å; E38-L40 PolarHBondContact O-N 3.34Å; E38-L41 PolarHBondContact O-N 3.01Å; E38-D42 PolarHBondContact O-N 3.04Å
39	N	92.7	Very high	92.4	Very high	86 Å²	86	74.4 Å²	74.4	46%	0.46	38%	0.383	S	S	.	.	H	α-helix	trans	-61.2	-41.4	176.6	-70.1	-27.4	0	0	0	112.5	N35 E36 E37 T43	N35-N39 WeakPolarHBondContact O-CB 3.34Å; N35-N39 PolarHBondContact O-N 3.12Å; N35-N39 PolarHBondContact O-ND2 2.65Å; N35-N39 VanDerWaalsContact O-ND2 3.13Å; E36-N39 PolarHBondContact O-N 2.78Å; E37-N39 VanDerWaalsContact C-N 3.35Å; E37-N39 PolarHBondContact O-N 3.17Å; N39-T43 VanDerWaalsContact O-CB 3.27Å; N39-T43 WeakPolarHBondContact O-CB 3.35Å; N39-T43 PolarHBondContact O-N 2.89Å; N39-T43 PolarHBondContact O-OG1 3.28Å
40	L	94.3	Very high	92.6	Very high	36 Å²	36	74.7 Å²	74.7	19%	0.188	39%	0.388	C	S	.	.	H	α-helix	trans	-65.5	-42	177.9	-77.2	172.2	0	0	0	111.5	E36 E37 E38 T43 F44 L115 L116 S119 I121	E36-L40 HydrophobicContact CG-CD1 4.15Å; E36-L40 HydrophobicContact CG-CG 4.44Å; E36-L40 WeakPolarHBondContact O-CB 3.29Å; E36-L40 VanDerWaalsContact O-CG 3.27Å; E36-L40 WeakPolarHBondContact O-CG 3.29Å; E36-L40 PolarHBondContact O-N 3.29Å; E37-L40 PolarHBondContact O-N 3.01Å; E38-L40 VanDerWaalsContact C-N 3.35Å; E38-L40 PolarHBondContact O-N 3.34Å; L40-T43 PolarHBondContact O-N 2.86Å; L40-F44 VanDerWaalsContact O-CB 3.27Å; L40-F44 WeakPolarHBondContact O-CB 3.32Å; L40-F44 PolarHBondContact O-N 3.04Å; L40-L115 HydrophobicContact CD2-CD2 3.98Å; L40-L116 HydrophobicContact CD2-CD2 3.74Å; L40-S119 WeakPolarHBondContact CD2-OG 3.08Å; L40-I121 HydrophobicContact CD1-CD1 4.41Å; L40-I121 HydrophobicContact CD1-CG1 4.13Å
41	L	95.6	Very high	92.8	Very high	106 Å²	106	74.7 Å²	74.7	56%	0.555	39%	0.385	S	S	*	.	H	α-helix	trans	-63.7	-47.1	176.8	-74	171.8	0	0	0	111.6	E37 E38 T43 F44 S45	E37-L41 HydrophobicContact CG-CD1 4.13Å; E37-L41 HydrophobicContact CG-CG 4.44Å; E37-L41 WeakPolarHBondContact O-CB 3.49Å; E37-L41 VanDerWaalsContact O-CG 3.28Å; E37-L41 WeakPolarHBondContact O-CG 3.34Å; E37-L41 PolarHBondContact O-N 2.73Å; E38-L41 PolarHBondContact O-N 3.01Å; L41-T43 VanDerWaalsContact C-N 3.34Å; L41-T43 PolarHBondContact O-N 2.71Å; L41-F44 PolarHBondContact O-N 2.83Å; L41-S45 PolarHBondContact O-N 3.03Å
42	D	94.6	Very high	93.1	Very high	100 Å²	100	76.5 Å²	76.5	54%	0.535	39%	0.387	S	S	.	.	H	α-helix	trans	-61.7	-44.8	177.5	-82	-8.3	0	0	0	111.2	E38 F44 S45 L46	E38-D42 PolarHBondContact O-N 3.04Å; D42-F44 VanDerWaalsContact C-N 3.35Å; D42-F44 PolarHBondContact O-N 2.93Å; D42-S45 WeakPolarHBondContact O-CB 3.21Å; D42-S45 PolarHBondContact O-N 2.78Å; D42-L46 WeakPolarHBondContact O-CG 3.42Å; D42-L46 PolarHBondContact O-N 2.8Å
43	T	92.9	Very high	93.3	Very high	38 Å²	38	77.9 Å²	77.9	23%	0.233	39%	0.393	C	S	.	.	H	α-helix	trans	-61.4	-44.4	176.3	-60.8	0	0	0	0	111.5	N39 L40 L41 S45 L46 Y47 F112 L115	N39-T43 VanDerWaalsContact O-CB 3.27Å; N39-T43 WeakPolarHBondContact O-CB 3.35Å; N39-T43 PolarHBondContact O-N 2.89Å; N39-T43 PolarHBondContact O-OG1 3.28Å; L40-T43 PolarHBondContact O-N 2.86Å; L41-T43 VanDerWaalsContact C-N 3.34Å; L41-T43 PolarHBondContact O-N 2.71Å; T43-S45 VanDerWaalsContact C-N 3.31Å; T43-S45 PolarHBondContact O-N 2.72Å; T43-L46 PolarHBondContact O-N 2.67Å; T43-Y47 PolarHBondContact O-N 3Å; T43-F112 HydrophobicContact CG2-CD2 4.1Å; T43-F112 HydrophobicContact CG2-CE2 4.2Å; T43-L115 HydrophobicContact CG2-CD1 3.4Å; T43-L115 VanDerWaalsContact CG2-CD1 3.4Å; T43-L115 HydrophobicContact CG2-CD2 3.83Å; T43-L115 HydrophobicContact CG2-CG 4.19Å
44	F	95.6	Very high	93.1	Very high	95 Å²	95	76.4 Å²	76.4	42%	0.417	39%	0.386	S	S	.	.	H	α-helix	trans	-65.9	-36.5	179.4	-173.5	-127.4	0	0	0	111.6	L40 L41 D42 Y47 I48 F112	L40-F44 VanDerWaalsContact O-CB 3.27Å; L40-F44 WeakPolarHBondContact O-CB 3.32Å; L40-F44 PolarHBondContact O-N 3.04Å; L41-F44 PolarHBondContact O-N 2.83Å; D42-F44 VanDerWaalsContact C-N 3.35Å; D42-F44 PolarHBondContact O-N 2.93Å; F44-Y47 AromaticContact CD2-CD1 3.93Å; F44-Y47 HydrophobicContact CD2-CD1 3.93Å; F44-Y47 AromaticContact CE2-CD1 3.92Å; F44-Y47 HydrophobicContact CE2-CD1 3.92Å; F44-Y47 HydrophobicContact CE2-CE1 4.37Å; F44-Y47 WeakPolarHBondContact O-CB 3.25Å; F44-Y47 PolarHBondContact O-N 3.24Å; F44-I48 HydrophobicContact CD1-CD1 3.91Å; F44-I48 HydrophobicContact CE1-CD1 3.7Å; F44-I48 HydrophobicContact CE1-CG1 4.48Å; F44-I48 HydrophobicContact CE2-CD1 4.47Å; F44-I48 HydrophobicContact CE2-CG1 4.4Å; F44-I48 HydrophobicContact CG-CD1 4.39Å; F44-I48 HydrophobicContact CZ-CD1 4Å; F44-I48 HydrophobicContact CZ-CG1 4.32Å; F44-I48 WeakPolarHBondContact O-CG1 3.22Å; F44-I48 PolarHBondContact O-N 3.36Å; F44-F112 HydrophobicContact CB-CE2 4.17Å; F44-F112 HydrophobicContact CB-CZ 4.27Å; F44-F112 AromaticContact CD2-CE1 3.99Å; F44-F112 HydrophobicContact CD2-CE1 3.99Å; F44-F112 AromaticContact CD2-CE2 3.95Å; F44-F112 HydrophobicContact CD2-CE2 3.95Å; F44-F112 AromaticContact CD2-CZ 3.49Å; F44-F112 HydrophobicContact CD2-CZ 3.49Å; F44-F112 VanDerWaalsContact CD2-CZ 3.49Å; F44-F112 HydrophobicContact CE2-CE1 4.32Å; F44-F112 HydrophobicContact CE2-CZ 4.22Å; F44-F112 HydrophobicContact CG-CZ 4.23Å
45	S	96.1	Very high	93.1	Very high	61 Å²	61	73.8 Å²	73.8	43%	0.427	38%	0.377	S	S	.	.	H	α-helix	trans	-59.8	-46.8	171.8	-171.3	0	0	0	0	111.9	L41 D42 T43 Y47 I48 D49	L41-S45 PolarHBondContact O-N 3.03Å; D42-S45 WeakPolarHBondContact O-CB 3.21Å; D42-S45 PolarHBondContact O-N 2.78Å; T43-S45 VanDerWaalsContact C-N 3.31Å; T43-S45 PolarHBondContact O-N 2.72Å; S45-Y47 VanDerWaalsContact C-N 3.31Å; S45-Y47 PolarHBondContact O-N 3.38Å; S45-I48 PolarHBondContact O-N 2.94Å; S45-D49 PolarHBondContact O-N 2.99Å
46	L	92.6	Very high	93.2	Very high	111 Å²	111	74.7 Å²	74.7	58%	0.581	38%	0.377	S	S	*	.	H	α-helix	trans	-62.9	-38.1	176.5	-69	173.3	0	0	0	112.4	D42 T43 D49 A50	D42-L46 WeakPolarHBondContact O-CG 3.42Å; D42-L46 PolarHBondContact O-N 2.8Å; T43-L46 PolarHBondContact O-N 2.67Å; L46-D49 PolarHBondContact O-N 2.92Å; L46-A50 WeakPolarHBondContact O-CB 3.39Å; L46-A50 PolarHBondContact O-N 2.83Å; L46-A50 VanDerWaalsContact O-N 3.08Å
47	Y	93.5	Very high	93	Very high	45 Å²	45	76.5 Å²	76.5	18%	0.176	38%	0.384	C	S	.	.	H	α-helix	trans	-61.8	-46	174.1	172.7	-115.6	0	0	0	111.4	T43 F44 S45 D49 A50 E51 L108 F112	T43-Y47 PolarHBondContact O-N 3Å; F44-Y47 AromaticContact CD2-CD1 3.93Å; F44-Y47 HydrophobicContact CD2-CD1 3.93Å; F44-Y47 AromaticContact CE2-CD1 3.92Å; F44-Y47 HydrophobicContact CE2-CD1 3.92Å; F44-Y47 HydrophobicContact CE2-CE1 4.37Å; F44-Y47 WeakPolarHBondContact O-CB 3.25Å; F44-Y47 PolarHBondContact O-N 3.24Å; S45-Y47 VanDerWaalsContact C-N 3.31Å; S45-Y47 PolarHBondContact O-N 3.38Å; Y47-D49 PolarHBondContact O-N 3.26Å; Y47-A50 PolarHBondContact O-N 3.09Å; Y47-E51 HydrophobicContact CD2-CG 4.15Å; Y47-E51 HydrophobicContact CE1-CG 4.42Å; Y47-E51 HydrophobicContact CE2-CG 3.61Å; Y47-E51 WeakPolarHBondContact O-CG 3.46Å; Y47-E51 PolarHBondContact O-N 3.29Å; Y47-L108 HydrophobicContact CD2-CB 3.91Å; Y47-L108 HydrophobicContact CE2-CB 4.08Å; Y47-F112 HydrophobicContact CD1-CD1 4.23Å; Y47-F112 HydrophobicContact CD1-CG 4.22Å; Y47-F112 HydrophobicContact CD2-CB 4.03Å; Y47-F112 HydrophobicContact CD2-CG 4.44Å; Y47-F112 HydrophobicContact CE1-CD1 4.34Å; Y47-F112 HydrophobicContact CE2-CB 4.33Å; Y47-F112 HydrophobicContact CG-CB 4.2Å; Y47-F112 HydrophobicContact CG-CD2 4.33Å; Y47-F112 HydrophobicContact CG-CG 4.12Å
48	I	94.7	Very high	92.8	Very high	72 Å²	72	74.8 Å²	74.8	37%	0.369	38%	0.377	S	S	.	.	H	α-helix	trans	-58.1	-48.8	175.6	-70.9	164.9	0	0	0	110.9	F44 S45 A50 E51 E52	F44-I48 HydrophobicContact CD1-CD1 3.91Å; F44-I48 HydrophobicContact CE1-CD1 3.7Å; F44-I48 HydrophobicContact CE1-CG1 4.48Å; F44-I48 HydrophobicContact CE2-CD1 4.47Å; F44-I48 HydrophobicContact CE2-CG1 4.4Å; F44-I48 HydrophobicContact CG-CD1 4.39Å; F44-I48 HydrophobicContact CZ-CD1 4Å; F44-I48 HydrophobicContact CZ-CG1 4.32Å; F44-I48 WeakPolarHBondContact O-CG1 3.22Å; F44-I48 PolarHBondContact O-N 3.36Å; S45-I48 PolarHBondContact O-N 2.94Å; I48-A50 VanDerWaalsContact C-N 3.31Å; I48-A50 PolarHBondContact O-N 3.28Å; I48-E51 PolarHBondContact O-N 3Å; I48-E52 HydrophobicContact CG2-CG 4.36Å; I48-E52 WeakPolarHBondContact O-CG 3.32Å; I48-E52 PolarHBondContact O-N 2.73Å
49	D	94.2	Very high	92.6	Very high	90 Å²	90	75.5 Å²	75.5	48%	0.481	38%	0.378	S	S	.	.	H	α-helix	trans	-59.9	-41.4	-179	-76.3	-26.2	0	0	0	112.2	S45 L46 Y47 E52 E53	S45-D49 PolarHBondContact O-N 2.99Å; L46-D49 PolarHBondContact O-N 2.92Å; Y47-D49 PolarHBondContact O-N 3.26Å; D49-E52 PolarHBondContact O-N 3.49Å; D49-E53 PolarHBondContact O-N 2.92Å
50	A	90.7	Very high	92.4	Very high	20 Å²	20	74.8 Å²	74.8	17%	0.165	38%	0.38	C	S	.	.	H	α-helix	trans	-65.1	-43.3	177.2	0	0	0	0	0	112.1	L46 Y47 I48 E53 N54 L108	L46-A50 WeakPolarHBondContact O-CB 3.39Å; L46-A50 PolarHBondContact O-N 2.83Å; L46-A50 VanDerWaalsContact O-N 3.08Å; Y47-A50 PolarHBondContact O-N 3.09Å; I48-A50 VanDerWaalsContact C-N 3.31Å; I48-A50 PolarHBondContact O-N 3.28Å; A50-E53 PolarHBondContact O-N 3.36Å; A50-N54 WeakPolarHBondContact O-CB 3.45Å; A50-N54 PolarHBondContact O-N 3.4Å; A50-L108 HydrophobicContact CB-CD1 3.5Å; A50-L108 HydrophobicContact CB-CG 4.31Å
51	E	93.5	Very high	92.1	Very high	47 Å²	47	74.5 Å²	74.5	22%	0.22	38%	0.378	C	S	.	.	H	α-helix	trans	-68.2	-36	176.6	-70.3	-56.6	148.9	0	0	112.1	Y47 I48 N54 L55 S107 L108	Y47-E51 HydrophobicContact CD2-CG 4.15Å; Y47-E51 HydrophobicContact CE1-CG 4.42Å; Y47-E51 HydrophobicContact CE2-CG 3.61Å; Y47-E51 WeakPolarHBondContact O-CG 3.46Å; Y47-E51 PolarHBondContact O-N 3.29Å; I48-E51 PolarHBondContact O-N 3Å; E51-N54 WeakPolarHBondContact O-CB 3.2Å; E51-N54 PolarHBondContact O-N 3Å; E51-L55 WeakPolarHBondContact O-CB 3.4Å; E51-L55 PolarHBondContact O-N 2.89Å; E51-S107 WeakPolarHBondContact OE1-CA 3.33Å; E51-S107 VanDerWaalsContact OE1-CB 3.24Å; E51-S107 WeakPolarHBondContact OE1-CB 3.35Å; E51-S107 PolarHBondContact OE1-OG 3Å; E51-L108 PolarHBondContact OE1-N 2.97Å
52	E	93.8	Very high	91.7	Very high	93 Å²	93	74 Å²	74	44%	0.435	38%	0.376	S	S	.	.	H	α-helix	trans	-62.5	-43.7	172.6	-78.3	-154.1	163.2	0	0	112.4	I48 D49 N54 L55 K56	I48-E52 HydrophobicContact CG2-CG 4.36Å; I48-E52 WeakPolarHBondContact O-CG 3.32Å; I48-E52 PolarHBondContact O-N 2.73Å; D49-E52 PolarHBondContact O-N 3.49Å; E52-N54 VanDerWaalsContact C-N 3.3Å; E52-L55 PolarHBondContact O-N 3.11Å; E52-K56 WeakPolarHBondContact O-CB 3.31Å; E52-K56 VanDerWaalsContact O-CG 3.26Å; E52-K56 WeakPolarHBondContact O-CG 3.09Å; E52-K56 PolarHBondContact O-N 3Å; E52-K56 IonicContact OE2-NZ 2.96Å; E52-K56 PolarHBondContact OE2-NZ 3.44Å
53	E	90.5	Very high	91.4	Very high	101 Å²	101	74 Å²	74	47%	0.472	38%	0.375	S	S	.	.	H	α-helix	trans	-62	-42.7	176.3	-167.4	-171.6	151.5	0	0	110.5	D49 A50 L55 K56 K57	D49-E53 PolarHBondContact O-N 2.92Å; A50-E53 PolarHBondContact O-N 3.36Å; E53-L55 VanDerWaalsContact C-N 3.35Å; E53-L55 PolarHBondContact O-N 3.34Å; E53-K56 PolarHBondContact O-N 2.77Å; E53-K57 WeakPolarHBondContact O-CG 3.36Å; E53-K57 PolarHBondContact O-N 2.73Å; E53-K57 WeakPolarHBondContact OE1-CE 3.41Å; E53-K57 IonicContact OE1-NZ 2.72Å; E53-K57 PolarHBondContact OE1-NZ 3.02Å
54	N	88.8	Confident	90.9	Very high	4 Å²	4	77.9 Å²	77.9	2%	0.021	39%	0.394	C	S	.	.	H	α-helix	trans	-60.6	-45.4	175.6	-162.2	20.5	0	0	0	111.4	A50 E51 E52 K56 K57 M58 Q105	A50-N54 WeakPolarHBondContact O-CB 3.45Å; A50-N54 PolarHBondContact O-N 3.4Å; E51-N54 WeakPolarHBondContact O-CB 3.2Å; E51-N54 PolarHBondContact O-N 3Å; E52-N54 VanDerWaalsContact C-N 3.3Å; N54-K56 PolarHBondContact O-N 2.63Å; N54-K57 WeakPolarHBondContact O-CB 3.39Å; N54-K57 PolarHBondContact O-N 3.36Å; N54-M58 WeakPolarHBondContact ND2-CE 3.37Å; N54-M58 WeakPolarHBondContact O-CG 3.4Å; N54-M58 PolarHBondContact O-N 3.25Å; N54-Q105 PolarHBondContact ND2-O 3.36Å; N54-Q105 PolarHBondContact OD1-N 3.39Å; N54-Q105 PolarHBondContact OD1-O 3.31Å
55	L	91.2	Very high	90.4	Very high	85 Å²	85	74.6 Å²	74.6	45%	0.445	38%	0.381	S	S	.	.	H	α-helix	trans	-63.6	-39.7	176.8	-174.5	63.7	0	0	0	112.1	E51 E52 E53 M58 K59	E51-L55 WeakPolarHBondContact O-CB 3.4Å; E51-L55 PolarHBondContact O-N 2.89Å; E52-L55 PolarHBondContact O-N 3.11Å; E53-L55 VanDerWaalsContact C-N 3.35Å; E53-L55 PolarHBondContact O-N 3.34Å; L55-M58 PolarHBondContact O-N 3.01Å; L55-K59 HydrophobicContact CG-CD 4.26Å; L55-K59 WeakPolarHBondContact O-CB 3.49Å; L55-K59 WeakPolarHBondContact O-CG 3.39Å; L55-K59 PolarHBondContact O-N 3.08Å
56	K	91.4	Very high	89.8	Confident	121 Å²	121	77.4 Å²	77.4	53%	0.526	39%	0.387	S	S	.	.	H	α-helix	trans	-60.9	-43.2	174.5	-74.3	163.1	-169.6	153.4	0	110.8	E52 E53 N54 S60	E52-K56 WeakPolarHBondContact O-CB 3.31Å; E52-K56 VanDerWaalsContact O-CG 3.26Å; E52-K56 WeakPolarHBondContact O-CG 3.09Å; E52-K56 PolarHBondContact O-N 3Å; E52-K56 IonicContact OE2-NZ 2.96Å; E52-K56 PolarHBondContact OE2-NZ 3.44Å; E53-K56 PolarHBondContact O-N 2.77Å; N54-K56 PolarHBondContact O-N 2.63Å; K56-S60 WeakPolarHBondContact O-CB 3.42Å; K56-S60 PolarHBondContact O-N 2.6Å; K56-S60 PolarHBondContact O-OG 2.7Å
57	K	88.2	Confident	89.3	Confident	68 Å²	68	78.5 Å²	78.5	30%	0.296	39%	0.393	S	S	.	.	H	α-helix	trans	-62.4	-47.2	173.9	-69.9	169.8	-174.6	160.7	0	111.5	E53 N54 K59 S60 L61	E53-K57 WeakPolarHBondContact O-CG 3.36Å; E53-K57 PolarHBondContact O-N 2.73Å; E53-K57 WeakPolarHBondContact OE1-CE 3.41Å; E53-K57 IonicContact OE1-NZ 2.72Å; E53-K57 PolarHBondContact OE1-NZ 3.02Å; N54-K57 WeakPolarHBondContact O-CB 3.39Å; N54-K57 PolarHBondContact O-N 3.36Å; K57-K59 PolarHBondContact O-N 3.21Å; K57-S60 PolarHBondContact O-N 2.88Å; K57-L61 WeakPolarHBondContact O-CG 3.29Å; K57-L61 PolarHBondContact O-N 2.97Å
58	M	88.9	Confident	88.4	Confident	77 Å²	77	78.4 Å²	78.4	38%	0.379	41%	0.405	S	S	.	.	H	α-helix	trans	-58.4	-46.5	176.8	-72.1	177.5	-172.1	0	0	112.4	N54 L55 S60 L61 L62 T104	N54-M58 WeakPolarHBondContact ND2-CE 3.37Å; N54-M58 WeakPolarHBondContact O-CG 3.4Å; N54-M58 PolarHBondContact O-N 3.25Å; L55-M58 PolarHBondContact O-N 3.01Å; M58-S60 VanDerWaalsContact C-N 3.32Å; M58-S60 PolarHBondContact O-N 3.48Å; M58-L61 PolarHBondContact O-N 3.42Å; M58-L62 WeakPolarHBondContact O-CB 3.49Å; M58-L62 PolarHBondContact O-N 2.86Å; M58-T104 HydrophobicContact CE-CG2 4.13Å; M58-T104 HydrophobicContact CG-CG2 3.51Å
59	K	91.4	Very high	87.2	Confident	129 Å²	129	77.8 Å²	77.8	56%	0.561	41%	0.408	S	S	*	.	H	α-helix	trans	-61	-41.1	176.5	-76.2	173.7	177	173.5	0	112	L55 K57 L62 L63	L55-K59 HydrophobicContact CG-CD 4.26Å; L55-K59 WeakPolarHBondContact O-CB 3.49Å; L55-K59 WeakPolarHBondContact O-CG 3.39Å; L55-K59 PolarHBondContact O-N 3.08Å; K57-K59 PolarHBondContact O-N 3.21Å; K59-L62 PolarHBondContact O-N 2.94Å; K59-L63 PolarHBondContact O-N 3.23Å
60	S	88.4	Confident	85.9	Confident	71 Å²	71	76.6 Å²	76.6	50%	0.497	40%	0.398	S	S	.	.	H	α-helix	trans	-67.5	-41.9	179.2	-56.5	0	0	0	0	111.7	K56 K57 M58 L63 L64	K56-S60 WeakPolarHBondContact O-CB 3.42Å; K56-S60 PolarHBondContact O-N 2.6Å; K56-S60 PolarHBondContact O-OG 2.7Å; K57-S60 PolarHBondContact O-N 2.88Å; M58-S60 VanDerWaalsContact C-N 3.32Å; M58-S60 PolarHBondContact O-N 3.48Å; S60-L63 PolarHBondContact O-N 3.04Å; S60-L64 WeakPolarHBondContact O-CG 3.28Å; S60-L64 PolarHBondContact O-N 3.41Å; S60-L64 VanDerWaalsContact O-N 3.09Å
61	L	86.8	Confident	84.5	Confident	30 Å²	30	81.4 Å²	81.4	16%	0.157	43%	0.431	C	S	.	.	H	α-helix	trans	-62.1	-44.5	173.2	-73.8	162.7	0	0	0	111.6	K57 M58 L63 L64 L65 I100 F103 T104	K57-L61 WeakPolarHBondContact O-CG 3.29Å; K57-L61 PolarHBondContact O-N 2.97Å; M58-L61 PolarHBondContact O-N 3.42Å; L61-L63 VanDerWaalsContact C-N 3.32Å; L61-L63 PolarHBondContact O-N 2.91Å; L61-L64 PolarHBondContact O-N 2.86Å; L61-L65 WeakPolarHBondContact O-CG 3.33Å; L61-L65 PolarHBondContact O-N 2.89Å; L61-I100 HydrophobicContact CD1-CG1 4.41Å; L61-F103 HydrophobicContact CD1-CB 3.6Å; L61-F103 HydrophobicContact CD2-CB 3.91Å; L61-F103 HydrophobicContact CD2-CD2 4.32Å; L61-F103 HydrophobicContact CD2-CG 4.24Å; L61-F103 HydrophobicContact CG-CB 4.33Å; L61-T104 HydrophobicContact CD1-CG2 3.78Å
62	L	87.6	Confident	83.1	Confident	97 Å²	97	86.3 Å²	86.3	51%	0.508	46%	0.458	S	S	.	.	H	α-helix	trans	-58.7	-44.5	176.7	179.3	62.5	0	0	0	111.5	M58 K59 L64 L65 Q66	M58-L62 WeakPolarHBondContact O-CB 3.49Å; M58-L62 PolarHBondContact O-N 2.86Å; K59-L62 PolarHBondContact O-N 2.94Å; L62-L64 PolarHBondContact O-N 3.32Å; L62-L65 PolarHBondContact O-N 3.35Å; L62-Q66 HydrophobicContact CD1-CG 4.4Å; L62-Q66 WeakPolarHBondContact O-CG 3.39Å; L62-Q66 PolarHBondContact O-N 2.79Å
63	L	88	Confident	81.7	Confident	98 Å²	98	83.6 Å²	83.6	51%	0.513	45%	0.449	S	S	.	.	H	α-helix	trans	-61.2	-43.9	177.2	-177.1	66.1	0	0	0	111.9	K59 S60 L61 L65 Q66 L67	K59-L63 PolarHBondContact O-N 3.23Å; S60-L63 PolarHBondContact O-N 3.04Å; L61-L63 VanDerWaalsContact C-N 3.32Å; L61-L63 PolarHBondContact O-N 2.91Å; L63-L65 VanDerWaalsContact C-N 3.35Å; L63-L65 PolarHBondContact O-N 3.33Å; L63-Q66 PolarHBondContact O-N 2.81Å; L63-L67 HydrophobicContact CG-CD1 4.36Å; L63-L67 WeakPolarHBondContact O-CG 3.35Å; L63-L67 PolarHBondContact O-N 2.89Å
64	L	83.9	Confident	80.9	Confident	120 Å²	120	88.8 Å²	88.8	63%	0.628	47%	0.473	S	S	*	.	H	α-helix	trans	-60.8	-43.3	175.5	-72.7	172.2	0	0	0	111.9	S60 L61 L62 Q66 L67 G68	S60-L64 WeakPolarHBondContact O-CG 3.28Å; S60-L64 PolarHBondContact O-N 3.41Å; S60-L64 VanDerWaalsContact O-N 3.09Å; L61-L64 PolarHBondContact O-N 2.86Å; L62-L64 PolarHBondContact O-N 3.32Å; L64-Q66 VanDerWaalsContact C-N 3.33Å; L64-Q66 PolarHBondContact O-N 3.18Å; L64-L67 PolarHBondContact O-N 3.19Å; L64-G68 PolarHBondContact O-N 3.01Å
65	L	83.5	Confident	80.4	Confident	27 Å²	27	90 Å²	90	14%	0.141	48%	0.482	C	S	.	.	H	α-helix	trans	-63	-39.4	176.4	-70.7	173.1	0	0	0	112.1	L61 L62 L63 S69 E96 W97 I100	L61-L65 WeakPolarHBondContact O-CG 3.33Å; L61-L65 PolarHBondContact O-N 2.89Å; L62-L65 PolarHBondContact O-N 3.35Å; L63-L65 VanDerWaalsContact C-N 3.35Å; L63-L65 PolarHBondContact O-N 3.33Å; L65-S69 PolarHBondContact O-N 2.61Å; L65-S69 VanDerWaalsContact O-N 3.13Å; L65-E96 HydrophobicContact CD2-CB 3.68Å; L65-E96 HydrophobicContact CD2-CG 4.32Å; L65-W97 HydrophobicContact CD1-CZ2 4.41Å; L65-I100 HydrophobicContact CD1-CD1 3.74Å
66	Q	85	Confident	79.9	Confident	120 Å²	120	89.9 Å²	89.9	56%	0.561	49%	0.486	S	S	*	.	H	α-helix	trans	-66.9	-46.5	177.3	-75.3	176.2	-21.2	0	0	112	L62 L63 L64 G68 S69	L62-Q66 HydrophobicContact CD1-CG 4.4Å; L62-Q66 WeakPolarHBondContact O-CG 3.39Å; L62-Q66 PolarHBondContact O-N 2.79Å; L63-Q66 PolarHBondContact O-N 2.81Å; L64-Q66 VanDerWaalsContact C-N 3.33Å; L64-Q66 PolarHBondContact O-N 3.18Å; Q66-G68 VanDerWaalsContact C-N 3.28Å; Q66-G68 PolarHBondContact O-N 2.95Å; Q66-S69 VanDerWaalsContact O-CB 3.3Å; Q66-S69 WeakPolarHBondContact O-CB 3.33Å; Q66-S69 PolarHBondContact O-N 2.62Å; Q66-S69 VanDerWaalsContact O-N 3.1Å
67	L	81.4	Confident	79.5	Confident	134 Å²	134	91.6 Å²	91.6	70%	0.702	50%	0.496	S	S	*	.	H	α-helix	trans	-61.7	-36.4	176.2	-74.1	171.6	0	0	0	112.5	L63 L64 S69	L63-L67 HydrophobicContact CG-CD1 4.36Å; L63-L67 WeakPolarHBondContact O-CG 3.35Å; L63-L67 PolarHBondContact O-N 2.89Å; L64-L67 PolarHBondContact O-N 3.19Å; L67-S69 VanDerWaalsContact C-N 3.29Å
68	G	73.9	Confident	79.2	Confident	42 Å²	42	94.4 Å²	94.4	43%	0.433	51%	0.51	S	S	.	.	H	α-helix	trans	-76.8	-13.4	176.8	0	0	0	0	0	114	L64 Q66 R92	L64-G68 PolarHBondContact O-N 3.01Å; Q66-G68 VanDerWaalsContact C-N 3.28Å; Q66-G68 PolarHBondContact O-N 2.95Å; G68-R92 PolarHBondContact O-NH1 3.39Å
69	S	70.5	Confident	78.8	Confident	60 Å²	60	92.8 Å²	92.8	42%	0.42	51%	0.505	S	S	.	.	S	Bend	trans	-69	149.5	-177.9	-162.9	0	0	0	0	111.8	L65 Q66 L67 S71 R92	L65-S69 PolarHBondContact O-N 2.61Å; L65-S69 VanDerWaalsContact O-N 3.13Å; Q66-S69 VanDerWaalsContact O-CB 3.3Å; Q66-S69 WeakPolarHBondContact O-CB 3.33Å; Q66-S69 PolarHBondContact O-N 2.62Å; Q66-S69 VanDerWaalsContact O-N 3.1Å; L67-S69 VanDerWaalsContact C-N 3.29Å; S69-S71 PolarHBondContact O-N 2.72Å; S69-R92 VanDerWaalsContact CA-NH1 3.35Å
70	F	66.2	Low	78.5	Confident	65 Å²	65	89.7 Å²	89.7	29%	0.285	49%	0.493	S	S	.	.			trans	-70.2	123.9	169.4	-66.4	-83.2	0	0	0	107	N72 M80 A85 K88 L89	F70-N72 PolarHBondContact O-N 3.33Å; F70-M80 HydrophobicContact CE2-CE 4.44Å; F70-A85 HydrophobicContact CE1-CB 4.35Å; F70-A85 HydrophobicContact CZ-CB 4.27Å; F70-K88 HydrophobicContact CZ-CB 4.38Å; F70-L89 HydrophobicContact CD2-CD1 4.42Å; F70-L89 HydrophobicContact CE2-CB 3.95Å; F70-L89 HydrophobicContact CE2-CD1 4.25Å
71	S	62.3	Low	78.3	Confident	121 Å²	121	95.3 Å²	95.3	85%	0.846	50%	0.503	S	S	*	.			trans	-58	101.2	171.8	-56.8	0	0	0	0	108.5	S69	S69-S71 PolarHBondContact O-N 2.72Å
72	N	62.9	Low	78.2	Confident	150 Å²	150	97.7 Å²	97.7	80%	0.802	52%	0.516	S	S	*	.			trans	15	77.9	172.4	-160.3	18.8	0	0	0	114.3	F70 Q74	F70-N72 PolarHBondContact O-N 3.33Å; N72-Q74 PolarHBondContact O-N 2.66Å
73	P	65.6	Low	78.2	Confident	35 Å²	35	98 Å²	98	23%	0.227	52%	0.524	C	S	.	.			trans	-60.3	127	-175.9	21.3	-29.6	0	0	0	109.5	S75 P76 T79	P73-S75 PolarHBondContact O-N 3.09Å; P73-P76 HydrophobicContact CG-CG 4.39Å; P73-T79 HydrophobicContact CB-CG2 4.24Å; P73-T79 WeakPolarHBondContact CB-OG1 3.49Å
74	Q	72.5	Confident	78.2	Confident	210 Å²	210	97.1 Å²	97.1	98%	0.981	52%	0.523	S	S	*	.	S	Bend	trans	-55.1	-27.6	179.2	-70.7	-170.9	-12	0	0	112.3	N72	N72-Q74 PolarHBondContact O-N 2.66Å
75	S	79.3	Confident	78.3	Confident	30 Å²	30	91.7 Å²	91.7	21%	0.21	50%	0.495	C	S	.	.			trans	-137.4	105.2	167.8	175.9	0	0	0	0	110.2	P73 E77 E78 T79	P73-S75 PolarHBondContact O-N 3.09Å; S75-E77 PolarHBondContact O-N 3.45Å; S75-E78 PolarHBondContact O-N 3.03Å; S75-E78 WeakPolarHBondContact OG-CG 3.27Å; S75-E78 PolarHBondContact OG-N 3.08Å; S75-T79 PolarHBondContact O-N 2.96Å; S75-T79 VanDerWaalsContact O-N 3.08Å; S75-T79 PolarHBondContact O-OG1 3.39Å
76	P	80.7	Confident	78.5	Confident	83 Å²	83	91.7 Å²	91.7	54%	0.539	50%	0.499	S	S	.	.	H	α-helix	trans	-57.2	-38.3	173.8	-25.2	34.2	0	0	0	112.4	P73 T79 M80	P73-P76 HydrophobicContact CG-CG 4.39Å; P76-T79 PolarHBondContact O-N 3.3Å; P76-M80 WeakPolarHBondContact O-CB 3.47Å; P76-M80 VanDerWaalsContact O-CG 3.23Å; P76-M80 WeakPolarHBondContact O-CG 3.39Å; P76-M80 PolarHBondContact O-N 3.34Å
77	E	82.1	Confident	78.7	Confident	156 Å²	156	92.2 Å²	92.2	73%	0.729	50%	0.5	S	S	*	.	H	α-helix	trans	-62.1	-44.9	178.3	-69.6	-173.6	175.5	0	0	111.9	S75 R81	S75-E77 PolarHBondContact O-N 3.45Å; E77-R81 WeakPolarHBondContact O-CG 3.43Å; E77-R81 PolarHBondContact O-N 3Å
78	E	81.3	Confident	79	Confident	127 Å²	127	91.8 Å²	91.8	59%	0.593	49%	0.492	S	S	*	.	H	α-helix	trans	-67	-40.7	177.6	-72.3	177.1	171.5	0	0	112	S75 M80 R81	S75-E78 PolarHBondContact O-N 3.03Å; S75-E78 WeakPolarHBondContact OG-CG 3.27Å; S75-E78 PolarHBondContact OG-N 3.08Å; E78-M80 VanDerWaalsContact C-N 3.32Å; E78-M80 PolarHBondContact O-N 2.97Å; E78-R81 WeakPolarHBondContact O-CB 3.34Å; E78-R81 PolarHBondContact O-N 3.06Å
79	T	82.1	Confident	79.6	Confident	44 Å²	44	92 Å²	92	27%	0.27	48%	0.483	S	S	.	.	H	α-helix	trans	-65.8	-36.8	-179.7	-52.1	0	0	0	0	111.5	P73 S75 P76 R81 D82 A85	P73-T79 HydrophobicContact CB-CG2 4.24Å; P73-T79 WeakPolarHBondContact CB-OG1 3.49Å; S75-T79 PolarHBondContact O-N 2.96Å; S75-T79 VanDerWaalsContact O-N 3.08Å; S75-T79 PolarHBondContact O-OG1 3.39Å; P76-T79 PolarHBondContact O-N 3.3Å; T79-R81 VanDerWaalsContact C-N 3.27Å; T79-R81 PolarHBondContact O-N 3.28Å; T79-D82 PolarHBondContact O-N 2.81Å; T79-A85 WeakPolarHBondContact O-CB 3.27Å
80	M	84.9	Confident	80.5	Confident	63 Å²	63	94.8 Å²	94.8	31%	0.31	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-1.9	178.6	-64.1	-61.5	101.8	0	0	113.7	F70 P76 E78 D82 A85 A86 L89	F70-M80 HydrophobicContact CE2-CE 4.44Å; P76-M80 WeakPolarHBondContact O-CB 3.47Å; P76-M80 VanDerWaalsContact O-CG 3.23Å; P76-M80 WeakPolarHBondContact O-CG 3.39Å; P76-M80 PolarHBondContact O-N 3.34Å; E78-M80 VanDerWaalsContact C-N 3.32Å; E78-M80 PolarHBondContact O-N 2.97Å; M80-D82 PolarHBondContact O-N 2.94Å; M80-A85 HydrophobicContact CE-CB 4.03Å; M80-A86 HydrophobicContact SD-CB 4.3Å; M80-L89 HydrophobicContact CE-CD2 4.38Å; M80-L89 HydrophobicContact SD-CB 4.42Å; M80-L89 HydrophobicContact SD-CD2 3.71Å
81	R	84.1	Confident	81.5	Confident	189 Å²	189	97.8 Å²	97.8	71%	0.713	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-22.7	167.2	-69.2	178.9	-179	-179	1.7	112.4	E77 E78 T79 P83	E77-R81 WeakPolarHBondContact O-CG 3.43Å; E77-R81 PolarHBondContact O-N 3Å; E78-R81 WeakPolarHBondContact O-CB 3.34Å; E78-R81 PolarHBondContact O-N 3.06Å; T79-R81 VanDerWaalsContact C-N 3.27Å; T79-R81 PolarHBondContact O-N 3.28Å; R81-P83 VanDerWaalsContact O-CD 3.26Å; R81-P83 WeakPolarHBondContact O-CD 3.37Å
82	D	85	Confident	82.6	Confident	80 Å²	80	94.3 Å²	94.3	43%	0.428	47%	0.474	S	S	.	.	S	Bend	trans	-77	112.5	169.8	173.8	15.3	0	0	0	109.9	T79 M80 V84 A85 A86	T79-D82 PolarHBondContact O-N 2.81Å; M80-D82 PolarHBondContact O-N 2.94Å; D82-V84 PolarHBondContact O-N 3.47Å; D82-V84 VanDerWaalsContact O-N 3.13Å; D82-V84 WeakPolarHBondContact OD1-CB 3.36Å; D82-V84 PolarHBondContact OD1-N 3.09Å; D82-A85 HydrophobicContact CB-CB 3.89Å; D82-A85 PolarHBondContact O-N 3.1Å; D82-A85 VanDerWaalsContact O-N 3.09Å; D82-A85 PolarHBondContact OD2-N 2.83Å; D82-A86 PolarHBondContact O-N 3.46Å
83	P	86.9	Confident	83.7	Confident	104 Å²	104	91 Å²	91	68%	0.675	46%	0.456	S	S	*	.	H	α-helix	trans	-57.8	-28.1	178.1	-22.9	34.9	0	0	0	113.1	R81 F87	R81-P83 VanDerWaalsContact O-CD 3.26Å; R81-P83 WeakPolarHBondContact O-CD 3.37Å; P83-F87 VanDerWaalsContact O-CB 3.31Å; P83-F87 WeakPolarHBondContact O-CB 3.38Å; P83-F87 PolarHBondContact O-N 3.18Å
84	V	87.9	Confident	84.7	Confident	79 Å²	79	98.3 Å²	98.3	48%	0.479	48%	0.479	S	S	.	.	H	α-helix	trans	-72.5	-42.6	177.2	-179.6	0	0	0	0	110.9	D82 F87 K88	D82-V84 PolarHBondContact O-N 3.47Å; D82-V84 VanDerWaalsContact O-N 3.13Å; D82-V84 WeakPolarHBondContact OD1-CB 3.36Å; D82-V84 PolarHBondContact OD1-N 3.09Å; V84-F87 PolarHBondContact O-N 2.95Å; V84-K88 HydrophobicContact CG1-CD 4.32Å; V84-K88 HydrophobicContact CG1-CG 4.49Å; V84-K88 WeakPolarHBondContact O-CB 3.4Å; V84-K88 WeakPolarHBondContact O-CG 3.41Å; V84-K88 PolarHBondContact O-N 2.9Å
85	A	86	Confident	85.2	Confident	7 Å²	7	93.2 Å²	93.2	6%	0.058	46%	0.455	C	S	.	.	H	α-helix	trans	-62	-44.7	174.2	0	0	0	0	0	111.6	F70 T79 M80 D82 K88 L89	F70-A85 HydrophobicContact CE1-CB 4.35Å; F70-A85 HydrophobicContact CZ-CB 4.27Å; T79-A85 WeakPolarHBondContact O-CB 3.27Å; M80-A85 HydrophobicContact CE-CB 4.03Å; D82-A85 HydrophobicContact CB-CB 3.89Å; D82-A85 PolarHBondContact O-N 3.1Å; D82-A85 VanDerWaalsContact O-N 3.09Å; D82-A85 PolarHBondContact OD2-N 2.83Å; A85-K88 PolarHBondContact O-N 3.38Å; A85-L89 PolarHBondContact O-N 3.02Å
86	A	87.5	Confident	85.4	Confident	27 Å²	27	95.9 Å²	95.9	22%	0.223	46%	0.464	C	S	.	.	H	α-helix	trans	-60.4	-47.4	175.1	0	0	0	0	0	111.8	M80 D82 K88 L89 L90	M80-A86 HydrophobicContact SD-CB 4.3Å; D82-A86 PolarHBondContact O-N 3.46Å; A86-K88 PolarHBondContact O-N 2.89Å; A86-L89 PolarHBondContact O-N 3.42Å; A86-L90 WeakPolarHBondContact O-CG 3.37Å; A86-L90 PolarHBondContact O-N 3.1Å
87	F	89.9	Confident	85.5	Confident	130 Å²	130	98.6 Å²	98.6	57%	0.57	46%	0.464	S	S	*	.	H	α-helix	trans	-59.9	-44.6	175.1	173.1	-98.8	0	0	0	112.4	P83 V84 L89 L90 K91	P83-F87 VanDerWaalsContact O-CB 3.31Å; P83-F87 WeakPolarHBondContact O-CB 3.38Å; P83-F87 PolarHBondContact O-N 3.18Å; V84-F87 PolarHBondContact O-N 2.95Å; F87-L89 PolarHBondContact O-N 3.37Å; F87-L90 PolarHBondContact O-N 2.87Å; F87-K91 HydrophobicContact CE1-CD 4.13Å; F87-K91 HydrophobicContact CZ-CD 4.2Å; F87-K91 VanDerWaalsContact O-CB 3.28Å; F87-K91 WeakPolarHBondContact O-CB 3.16Å; F87-K91 PolarHBondContact O-N 3.26Å
88	K	87.5	Confident	85.5	Confident	126 Å²	126	95 Å²	95	55%	0.548	45%	0.453	S	S	.	.	H	α-helix	trans	-61	-43.5	177.5	-79.4	-179.9	177.6	-179.7	0	111.6	F70 V84 A85 A86 R92	F70-K88 HydrophobicContact CZ-CB 4.38Å; V84-K88 HydrophobicContact CG1-CD 4.32Å; V84-K88 HydrophobicContact CG1-CG 4.49Å; V84-K88 WeakPolarHBondContact O-CB 3.4Å; V84-K88 WeakPolarHBondContact O-CG 3.41Å; V84-K88 PolarHBondContact O-N 2.9Å; A85-K88 PolarHBondContact O-N 3.38Å; A86-K88 PolarHBondContact O-N 2.89Å; K88-R92 VanDerWaalsContact O-CB 3.28Å; K88-R92 WeakPolarHBondContact O-CB 3.45Å; K88-R92 PolarHBondContact O-N 2.92Å
89	L	86.9	Confident	85.4	Confident	45 Å²	45	90.3 Å²	90.3	24%	0.236	43%	0.431	C	S	.	.	H	α-helix	trans	-61.6	-51.5	176.2	-177.9	59	0	0	0	111.3	F70 M80 A85 A86 F87 K91 R92 L93	F70-L89 HydrophobicContact CD2-CD1 4.42Å; F70-L89 HydrophobicContact CE2-CB 3.95Å; F70-L89 HydrophobicContact CE2-CD1 4.25Å; M80-L89 HydrophobicContact CE-CD2 4.38Å; M80-L89 HydrophobicContact SD-CB 4.42Å; M80-L89 HydrophobicContact SD-CD2 3.71Å; A85-L89 PolarHBondContact O-N 3.02Å; A86-L89 PolarHBondContact O-N 3.42Å; F87-L89 PolarHBondContact O-N 3.37Å; L89-K91 PolarHBondContact O-N 3.19Å; L89-R92 VanDerWaalsContact CD1-NH2 3.26Å; L89-R92 PolarHBondContact O-N 2.87Å; L89-L93 HydrophobicContact CD1-CD1 3.95Å; L89-L93 HydrophobicContact CD1-CG 4.03Å; L89-L93 HydrophobicContact CG-CD1 4.04Å; L89-L93 HydrophobicContact CG-CG 4.45Å; L89-L93 WeakPolarHBondContact O-CB 3.39Å; L89-L93 WeakPolarHBondContact O-CG 3.42Å; L89-L93 PolarHBondContact O-N 2.92Å
90	L	89	Confident	85.3	Confident	120 Å²	120	90.5 Å²	90.5	63%	0.628	43%	0.43	S	S	*	.	H	α-helix	trans	-58.1	-46.9	179	-72.5	172.8	0	0	0	111.6	A86 F87 L93 R94	A86-L90 WeakPolarHBondContact O-CG 3.37Å; A86-L90 PolarHBondContact O-N 3.1Å; F87-L90 PolarHBondContact O-N 2.87Å; L90-L93 PolarHBondContact O-N 3.48Å; L90-R94 VanDerWaalsContact O-CB 3.26Å; L90-R94 WeakPolarHBondContact O-CB 3.26Å; L90-R94 PolarHBondContact O-N 2.81Å
91	K	88.1	Confident	84.7	Confident	128 Å²	128	90.9 Å²	90.9	56%	0.557	44%	0.443	S	S	*	.	H	α-helix	trans	-61.5	-45.5	177.5	-175.1	-175.8	176.9	-173.2	0	111.3	F87 L89 R94 H95	F87-K91 HydrophobicContact CE1-CD 4.13Å; F87-K91 HydrophobicContact CZ-CD 4.2Å; F87-K91 VanDerWaalsContact O-CB 3.28Å; F87-K91 WeakPolarHBondContact O-CB 3.16Å; F87-K91 PolarHBondContact O-N 3.26Å; L89-K91 PolarHBondContact O-N 3.19Å; K91-R94 PolarHBondContact O-N 2.96Å; K91-H95 WeakPolarHBondContact O-CB 3.47Å; K91-H95 PolarHBondContact O-N 3.47Å
92	R	84.1	Confident	84.4	Confident	47 Å²	47	89.4 Å²	89.4	18%	0.177	44%	0.442	C	S	.	.	H	α-helix	trans	-62.4	-49.6	178.7	-170.9	-179	72.8	-147.9	2.6	111.1	G68 S69 K88 L89 R94 E96	G68-R92 PolarHBondContact O-NH1 3.39Å; S69-R92 VanDerWaalsContact CA-NH1 3.35Å; K88-R92 VanDerWaalsContact O-CB 3.28Å; K88-R92 WeakPolarHBondContact O-CB 3.45Å; K88-R92 PolarHBondContact O-N 2.92Å; L89-R92 VanDerWaalsContact CD1-NH2 3.26Å; L89-R92 PolarHBondContact O-N 2.87Å; R92-R94 VanDerWaalsContact C-N 3.34Å; R92-R94 PolarHBondContact O-N 3.32Å; R92-E96 HydrophobicContact CG-CG 3.86Å; R92-E96 WeakPolarHBondContact O-CB 3.14Å; R92-E96 WeakPolarHBondContact O-CG 3.38Å; R92-E96 PolarHBondContact O-N 2.83Å
93	L	86.2	Confident	83.8	Confident	82 Å²	82	91.6 Å²	91.6	43%	0.429	45%	0.448	S	S	.	.	H	α-helix	trans	-61.4	-41.8	177.7	-70.1	180	0	0	0	111.9	L89 L90 W97	L89-L93 HydrophobicContact CD1-CD1 3.95Å; L89-L93 HydrophobicContact CD1-CG 4.03Å; L89-L93 HydrophobicContact CG-CD1 4.04Å; L89-L93 HydrophobicContact CG-CG 4.45Å; L89-L93 WeakPolarHBondContact O-CB 3.39Å; L89-L93 WeakPolarHBondContact O-CG 3.42Å; L89-L93 PolarHBondContact O-N 2.92Å; L90-L93 PolarHBondContact O-N 3.48Å; L93-W97 WeakPolarHBondContact O-CB 3.49Å
94	R	86.6	Confident	83.2	Confident	188 Å²	188	88.1 Å²	88.1	71%	0.709	43%	0.425	S	S	*	.	H	α-helix	trans	-73.3	-43.5	179.6	179.6	60.5	-176.6	-157.8	0.8	113.2	L90 K91 R92 V98	L90-R94 VanDerWaalsContact O-CB 3.26Å; L90-R94 WeakPolarHBondContact O-CB 3.26Å; L90-R94 PolarHBondContact O-N 2.81Å; K91-R94 PolarHBondContact O-N 2.96Å; R92-R94 VanDerWaalsContact C-N 3.34Å; R92-R94 PolarHBondContact O-N 3.32Å; R94-V98 WeakPolarHBondContact O-CB 3.39Å; R94-V98 WeakPolarHBondContact O-CG2 3.5Å
95	H	83.9	Confident	82.5	Confident	103 Å²	103	88 Å²	88	48%	0.477	42%	0.419	S	S	.	.	H	α-helix	trans	-84.7	-48.3	-171.4	-169.2	77.3	0	0	0	112.2	K91 N99	K91-H95 WeakPolarHBondContact O-CB 3.47Å; K91-H95 PolarHBondContact O-N 3.47Å; H95-N99 WeakPolarHBondContact O-CB 3.26Å; H95-N99 PolarHBondContact O-N 2.8Å; H95-N99 PolarHBondContact O-ND2 3.19Å
96	E	82.1	Confident	82.2	Confident	85 Å²	85	95.7 Å²	95.7	40%	0.397	45%	0.454	S	S	.	.	H	α-helix	trans	-73.2	-45.3	-173.7	-54.8	-61.3	149.7	0	0	110.9	L65 R92 N99 I100	L65-E96 HydrophobicContact CD2-CB 3.68Å; L65-E96 HydrophobicContact CD2-CG 4.32Å; R92-E96 HydrophobicContact CG-CG 3.86Å; R92-E96 WeakPolarHBondContact O-CB 3.14Å; R92-E96 WeakPolarHBondContact O-CG 3.38Å; R92-E96 PolarHBondContact O-N 2.83Å; E96-N99 PolarHBondContact O-N 2.89Å; E96-I100 PolarHBondContact O-N 2.82Å
97	W	82.7	Confident	82.1	Confident	140 Å²	140	96.8 Å²	96.8	53%	0.53	46%	0.46	S	S	.	.	H	α-helix	trans	-74.6	-35.4	-177.6	-69.1	79.8	0	0	0	113.4	L65 L93 N99 I100	L65-W97 HydrophobicContact CD1-CZ2 4.41Å; L93-W97 WeakPolarHBondContact O-CB 3.49Å; W97-N99 VanDerWaalsContact C-N 3.26Å; W97-N99 PolarHBondContact O-N 2.85Å; W97-I100 VanDerWaalsContact O-CG2 3.26Å; W97-I100 WeakPolarHBondContact O-CG2 3.4Å; W97-I100 PolarHBondContact O-N 2.84Å
98	V	82.2	Confident	82	Confident	82 Å²	82	93 Å²	93	50%	0.497	45%	0.445	S	S	.	.	H	α-helix	trans	-68.6	-29.1	177.2	174.9	0	0	0	0	111.4	R94	R94-V98 WeakPolarHBondContact O-CB 3.39Å; R94-V98 WeakPolarHBondContact O-CG2 3.5Å
99	N	79.1	Confident	82.1	Confident	27 Å²	27	93 Å²	93	14%	0.144	44%	0.443	C	S	.	.	H	α-helix	trans	-95.8	-5.5	179.6	-65.9	-46.3	0	0	0	113.7	H95 E96 W97 A101 K102 F103	H95-N99 WeakPolarHBondContact O-CB 3.26Å; H95-N99 PolarHBondContact O-N 2.8Å; H95-N99 PolarHBondContact O-ND2 3.19Å; E96-N99 PolarHBondContact O-N 2.89Å; W97-N99 VanDerWaalsContact C-N 3.26Å; W97-N99 PolarHBondContact O-N 2.85Å; N99-A101 PolarHBondContact O-N 3.46Å; N99-K102 HydrophobicContact CB-CD 4.47Å; N99-K102 WeakPolarHBondContact O-CB 3.45Å; N99-K102 PolarHBondContact O-N 2.82Å; N99-K102 PolarHBondContact OD1-NZ 2.86Å; N99-F103 HydrophobicContact CB-CD2 4.39Å; N99-F103 HydrophobicContact CB-CE2 3.95Å; N99-F103 VanDerWaalsContact O-CD2 3.23Å; N99-F103 WeakPolarHBondContact O-CD2 3.31Å; N99-F103 PolarHBondContact O-N 3.42Å
100	I	80.9	Confident	82.3	Confident	48 Å²	48	97.9 Å²	97.9	25%	0.246	47%	0.465	C	S	.	.	H	α-helix	trans	-54.9	-43.5	-176.7	-154.8	173.4	0	0	0	111.7	L61 L65 E96 W97 K102 F103 T104	L61-I100 HydrophobicContact CD1-CG1 4.41Å; L65-I100 HydrophobicContact CD1-CD1 3.74Å; E96-I100 PolarHBondContact O-N 2.82Å; W97-I100 VanDerWaalsContact O-CG2 3.26Å; W97-I100 WeakPolarHBondContact O-CG2 3.4Å; W97-I100 PolarHBondContact O-N 2.84Å; I100-K102 PolarHBondContact O-N 2.8Å; I100-F103 PolarHBondContact O-N 2.79Å; I100-T104 PolarHBondContact O-N 2.8Å; I100-T104 VanDerWaalsContact O-N 3.13Å; I100-T104 PolarHBondContact O-OG1 3.21Å
101	A	72.8	Confident	82.4	Confident	71 Å²	71	96.8 Å²	96.8	59%	0.587	46%	0.456	S	S	*	.	H	α-helix	trans	-64.7	-20.5	179.4	0	0	0	0	0	113.4	N99 T104	N99-A101 PolarHBondContact O-N 3.46Å; A101-T104 WeakPolarHBondContact CA-OG1 3.17Å; A101-T104 PolarHBondContact O-OG1 2.99Å
102	K	78.4	Confident	82.5	Confident	159 Å²	159	92 Å²	92	69%	0.691	44%	0.435	S	S	*	.	H	α-helix	trans	-82.4	-22.4	175.7	-60.4	177.6	-178.5	164.9	0	112.6	N99 I100	N99-K102 HydrophobicContact CB-CD 4.47Å; N99-K102 WeakPolarHBondContact O-CB 3.45Å; N99-K102 PolarHBondContact O-N 2.82Å; N99-K102 PolarHBondContact OD1-NZ 2.86Å; I100-K102 PolarHBondContact O-N 2.8Å
103	F	72	Confident	82.9	Confident	125 Å²	125	92.9 Å²	92.9	55%	0.548	44%	0.441	S	S	.	.	H	α-helix	trans	-94.5	-19.9	178.9	-66.7	-69.9	0	0	0	112.7	L61 N99 I100	L61-F103 HydrophobicContact CD1-CB 3.6Å; L61-F103 HydrophobicContact CD2-CB 3.91Å; L61-F103 HydrophobicContact CD2-CD2 4.32Å; L61-F103 HydrophobicContact CD2-CG 4.24Å; L61-F103 HydrophobicContact CG-CB 4.33Å; N99-F103 HydrophobicContact CB-CD2 4.39Å; N99-F103 HydrophobicContact CB-CE2 3.95Å; N99-F103 VanDerWaalsContact O-CD2 3.23Å; N99-F103 WeakPolarHBondContact O-CD2 3.31Å; N99-F103 PolarHBondContact O-N 3.42Å; I100-F103 PolarHBondContact O-N 2.79Å
104	T	73.8	Confident	83.2	Confident	31 Å²	31	92.2 Å²	92.2	19%	0.19	44%	0.441	C	S	.	.	S	Bend	trans	-88.1	136	166.9	57.5	0	0	0	0	109.1	M58 L61 I100 A101	M58-T104 HydrophobicContact CE-CG2 4.13Å; M58-T104 HydrophobicContact CG-CG2 3.51Å; L61-T104 HydrophobicContact CD1-CG2 3.78Å; I100-T104 PolarHBondContact O-N 2.8Å; I100-T104 VanDerWaalsContact O-N 3.13Å; I100-T104 PolarHBondContact O-OG1 3.21Å; A101-T104 WeakPolarHBondContact CA-OG1 3.17Å; A101-T104 PolarHBondContact O-OG1 2.99Å
105	Q	72.9	Confident	83.4	Confident	76 Å²	76	86.1 Å²	86.1	36%	0.355	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-74.7	149.6	173.6	-166.2	167.2	-23.7	0	0	109	N54 S107	N54-Q105 PolarHBondContact ND2-O 3.36Å; N54-Q105 PolarHBondContact OD1-N 3.39Å; N54-Q105 PolarHBondContact OD1-O 3.31Å; Q105-S107 PolarHBondContact O-N 3Å
106	Q	79.6	Confident	83.8	Confident	170 Å²	170	83.5 Å²	83.5	79%	0.794	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-61.9	136.7	165.7	-79.6	180	-29.7	0	0	108.3	L108	Q106-L108 PolarHBondContact O-N 2.83Å
107	S	85.9	Confident	84.1	Confident	50 Å²	50	85.4 Å²	85.4	35%	0.35	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-58.5	139.3	173.4	172.2	0	0	0	0	109.2	E51 Q105 Y109	E51-S107 WeakPolarHBondContact OE1-CA 3.33Å; E51-S107 VanDerWaalsContact OE1-CB 3.24Å; E51-S107 WeakPolarHBondContact OE1-CB 3.35Å; E51-S107 PolarHBondContact OE1-OG 3Å; Q105-S107 PolarHBondContact O-N 3Å; S107-Y109 PolarHBondContact O-N 3.24Å; S107-Y109 WeakPolarHBondContact OG-CB 3.36Å; S107-Y109 PolarHBondContact OG-N 2.97Å
108	L	87.5	Confident	84.4	Confident	49 Å²	49	87.5 Å²	87.5	26%	0.257	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	14.4	176.7	-62.5	-174.8	0	0	0	112.4	Y47 A50 E51 Q106 Q110 E111 F112	Y47-L108 HydrophobicContact CD2-CB 3.91Å; Y47-L108 HydrophobicContact CE2-CB 4.08Å; A50-L108 HydrophobicContact CB-CD1 3.5Å; A50-L108 HydrophobicContact CB-CG 4.31Å; E51-L108 PolarHBondContact OE1-N 2.97Å; Q106-L108 PolarHBondContact O-N 2.83Å; L108-Q110 VanDerWaalsContact C-N 3.3Å; L108-Q110 PolarHBondContact O-N 3.15Å; L108-E111 VanDerWaalsContact C-OE2 3.28Å; L108-E111 VanDerWaalsContact CA-OE2 3.25Å; L108-E111 WeakPolarHBondContact CA-OE2 3.41Å; L108-E111 PolarHBondContact O-N 2.87Å; L108-F112 PolarHBondContact O-N 3.35Å
109	Y	90.5	Very high	84.7	Confident	126 Å²	126	84.7 Å²	84.7	49%	0.494	42%	0.418	S	S	.	.	H	α-helix	trans	-56.5	-43.1	-176.9	173.6	-103.6	0	0	0	112.1	S107 F112 Q113	S107-Y109 PolarHBondContact O-N 3.24Å; S107-Y109 WeakPolarHBondContact OG-CB 3.36Å; S107-Y109 PolarHBondContact OG-N 2.97Å; Y109-F112 PolarHBondContact O-N 3.1Å; Y109-Q113 HydrophobicContact CD1-CG 4.33Å; Y109-Q113 HydrophobicContact CD2-CG 4.33Å; Y109-Q113 HydrophobicContact CE1-CG 3.89Å; Y109-Q113 HydrophobicContact CE2-CG 3.88Å; Y109-Q113 VanDerWaalsContact O-CG 3.29Å; Y109-Q113 WeakPolarHBondContact O-CG 3.48Å; Y109-Q113 PolarHBondContact O-N 3.36Å
110	Q	90.9	Very high	85.1	Confident	149 Å²	149	86.8 Å²	86.8	70%	0.696	43%	0.428	S	S	*	.	H	α-helix	trans	-68.9	-38.8	-178.6	-70.3	-174.9	-17.1	0	0	111.8	L108 Q113 T114	L108-Q110 VanDerWaalsContact C-N 3.3Å; L108-Q110 PolarHBondContact O-N 3.15Å; Q110-Q113 PolarHBondContact O-N 3.3Å; Q110-T114 WeakPolarHBondContact O-CB 3.29Å; Q110-T114 PolarHBondContact O-N 3.06Å; Q110-T114 PolarHBondContact O-OG1 3.16Å
111	E	89.4	Confident	85.5	Confident	96 Å²	96	88.6 Å²	88.6	45%	0.449	44%	0.437	S	S	.	.	H	α-helix	trans	-64.2	-41.6	175.1	-65.6	86.1	160.9	0	0	111.1	L108 T114 L115	L108-E111 VanDerWaalsContact C-OE2 3.28Å; L108-E111 VanDerWaalsContact CA-OE2 3.25Å; L108-E111 WeakPolarHBondContact CA-OE2 3.41Å; L108-E111 PolarHBondContact O-N 2.87Å; E111-T114 PolarHBondContact O-N 2.82Å; E111-L115 PolarHBondContact O-N 3.06Å
112	F	91.8	Very high	86.3	Confident	28 Å²	28	87.5 Å²	87.5	12%	0.123	43%	0.425	C	S	.	.	H	α-helix	trans	-66.4	-43.5	175.6	-177.7	-112	0	0	0	112.2	T43 F44 Y47 L108 Y109 T114 L115 L116	T43-F112 HydrophobicContact CG2-CD2 4.1Å; T43-F112 HydrophobicContact CG2-CE2 4.2Å; F44-F112 HydrophobicContact CB-CE2 4.17Å; F44-F112 HydrophobicContact CB-CZ 4.27Å; F44-F112 AromaticContact CD2-CE1 3.99Å; F44-F112 HydrophobicContact CD2-CE1 3.99Å; F44-F112 AromaticContact CD2-CE2 3.95Å; F44-F112 HydrophobicContact CD2-CE2 3.95Å; F44-F112 AromaticContact CD2-CZ 3.49Å; F44-F112 HydrophobicContact CD2-CZ 3.49Å; F44-F112 VanDerWaalsContact CD2-CZ 3.49Å; F44-F112 HydrophobicContact CE2-CE1 4.32Å; F44-F112 HydrophobicContact CE2-CZ 4.22Å; F44-F112 HydrophobicContact CG-CZ 4.23Å; Y47-F112 HydrophobicContact CD1-CD1 4.23Å; Y47-F112 HydrophobicContact CD1-CG 4.22Å; Y47-F112 HydrophobicContact CD2-CB 4.03Å; Y47-F112 HydrophobicContact CD2-CG 4.44Å; Y47-F112 HydrophobicContact CE1-CD1 4.34Å; Y47-F112 HydrophobicContact CE2-CB 4.33Å; Y47-F112 HydrophobicContact CG-CB 4.2Å; Y47-F112 HydrophobicContact CG-CD2 4.33Å; Y47-F112 HydrophobicContact CG-CG 4.12Å; L108-F112 PolarHBondContact O-N 3.35Å; Y109-F112 PolarHBondContact O-N 3.1Å; F112-T114 VanDerWaalsContact C-N 3.33Å; F112-T114 PolarHBondContact O-N 3.42Å; F112-L115 WeakPolarHBondContact O-CB 3.48Å; F112-L115 PolarHBondContact O-N 2.9Å; F112-L116 HydrophobicContact CD1-CD1 4.13Å; F112-L116 HydrophobicContact CE1-CD1 3.63Å; F112-L116 HydrophobicContact CE1-CD2 4.47Å; F112-L116 HydrophobicContact CE1-CG 4.13Å; F112-L116 HydrophobicContact CE2-CD2 4.36Å; F112-L116 HydrophobicContact CE2-CG 4.47Å; F112-L116 HydrophobicContact CZ-CD1 4.01Å; F112-L116 HydrophobicContact CZ-CD2 3.99Å; F112-L116 HydrophobicContact CZ-CG 4.1Å; F112-L116 WeakPolarHBondContact O-CG 3.37Å; F112-L116 PolarHBondContact O-N 3.28Å
113	Q	91.8	Very high	86.8	Confident	65 Å²	65	85.1 Å²	85.1	30%	0.304	42%	0.416	S	S	.	.	H	α-helix	trans	-59.8	-44.9	173.9	-70.2	-61.2	-58.7	0	0	111.5	Y109 Q110 L115 L116 D117	Y109-Q113 HydrophobicContact CD1-CG 4.33Å; Y109-Q113 HydrophobicContact CD2-CG 4.33Å; Y109-Q113 HydrophobicContact CE1-CG 3.89Å; Y109-Q113 HydrophobicContact CE2-CG 3.88Å; Y109-Q113 VanDerWaalsContact O-CG 3.29Å; Y109-Q113 WeakPolarHBondContact O-CG 3.48Å; Y109-Q113 PolarHBondContact O-N 3.36Å; Q110-Q113 PolarHBondContact O-N 3.3Å; Q113-L115 PolarHBondContact O-N 2.88Å; Q113-L116 PolarHBondContact O-N 3.47Å; Q113-L116 VanDerWaalsContact O-N 3.13Å; Q113-D117 VanDerWaalsContact O-CG 3.29Å; Q113-D117 PolarHBondContact O-N 3.19Å
114	T	92.1	Very high	87.6	Confident	69 Å²	69	84.6 Å²	84.6	42%	0.423	42%	0.418	S	S	.	.	H	α-helix	trans	-58.5	-40.7	176.8	-55.6	0	0	0	0	110.8	Q110 E111 F112 D117 Y118	Q110-T114 WeakPolarHBondContact O-CB 3.29Å; Q110-T114 PolarHBondContact O-N 3.06Å; Q110-T114 PolarHBondContact O-OG1 3.16Å; E111-T114 PolarHBondContact O-N 2.82Å; F112-T114 VanDerWaalsContact C-N 3.33Å; F112-T114 PolarHBondContact O-N 3.42Å; T114-D117 PolarHBondContact O-N 3.48Å; T114-Y118 HydrophobicContact CG2-CD2 3.83Å; T114-Y118 HydrophobicContact CG2-CE2 3.58Å; T114-Y118 WeakPolarHBondContact O-CD2 3.49Å; T114-Y118 PolarHBondContact O-N 3.1Å
115	L	91.6	Very high	88.3	Confident	60 Å²	60	88.6 Å²	88.6	31%	0.314	44%	0.435	S	S	.	.	H	α-helix	trans	-64.2	-45	176.3	-176.4	147	0	0	0	112	L40 T43 E111 F112 Q113 D117 Y118 S119	L40-L115 HydrophobicContact CD2-CD2 3.98Å; T43-L115 HydrophobicContact CG2-CD1 3.4Å; T43-L115 VanDerWaalsContact CG2-CD1 3.4Å; T43-L115 HydrophobicContact CG2-CD2 3.83Å; T43-L115 HydrophobicContact CG2-CG 4.19Å; E111-L115 PolarHBondContact O-N 3.06Å; F112-L115 WeakPolarHBondContact O-CB 3.48Å; F112-L115 PolarHBondContact O-N 2.9Å; Q113-L115 PolarHBondContact O-N 2.88Å; L115-D117 VanDerWaalsContact C-N 3.28Å; L115-D117 PolarHBondContact O-N 3.07Å; L115-Y118 CarbonylContact O-C 3.54Å; L115-Y118 PolarHBondContact O-N 2.87Å; L115-Y118 VanDerWaalsContact O-N 3.1Å; L115-S119 PolarHBondContact O-N 3.38Å; L115-S119 PolarHBondContact O-OG 3.29Å
116	L	91.2	Very high	89	Confident	47 Å²	47	85.7 Å²	85.7	25%	0.246	42%	0.422	C	S	.	.	H	α-helix	trans	-59.1	-39.9	175.3	-66.1	178.9	0	0	0	112.1	L40 F112 Q113 Y118 S119 I121	L40-L116 HydrophobicContact CD2-CD2 3.74Å; F112-L116 HydrophobicContact CD1-CD1 4.13Å; F112-L116 HydrophobicContact CE1-CD1 3.63Å; F112-L116 HydrophobicContact CE1-CD2 4.47Å; F112-L116 HydrophobicContact CE1-CG 4.13Å; F112-L116 HydrophobicContact CE2-CD2 4.36Å; F112-L116 HydrophobicContact CE2-CG 4.47Å; F112-L116 HydrophobicContact CZ-CD1 4.01Å; F112-L116 HydrophobicContact CZ-CD2 3.99Å; F112-L116 HydrophobicContact CZ-CG 4.1Å; F112-L116 WeakPolarHBondContact O-CG 3.37Å; F112-L116 PolarHBondContact O-N 3.28Å; Q113-L116 PolarHBondContact O-N 3.47Å; Q113-L116 VanDerWaalsContact O-N 3.13Å; L116-Y118 PolarHBondContact O-N 2.8Å; L116-S119 PolarHBondContact O-N 3.17Å; L116-I121 HydrophobicContact CB-CD1 4.44Å; L116-I121 HydrophobicContact CD2-CD1 4.02Å
117	D	89.4	Confident	89.5	Confident	125 Å²	125	81.6 Å²	81.6	67%	0.668	40%	0.404	S	S	*	.	H	α-helix	trans	-64.5	-24	178	-67.7	-23.1	0	0	0	113	Q113 T114 L115	Q113-D117 VanDerWaalsContact O-CG 3.29Å; Q113-D117 PolarHBondContact O-N 3.19Å; T114-D117 PolarHBondContact O-N 3.48Å; L115-D117 VanDerWaalsContact C-N 3.28Å; L115-D117 PolarHBondContact O-N 3.07Å
118	Y	88	Confident	89.8	Confident	184 Å²	184	80.8 Å²	80.8	72%	0.722	40%	0.396	S	S	*	.	H	α-helix	trans	-101.9	-6.5	177.1	-72.1	-64.8	0	0	0	113.9	T114 L115 L116	T114-Y118 HydrophobicContact CG2-CD2 3.83Å; T114-Y118 HydrophobicContact CG2-CE2 3.58Å; T114-Y118 WeakPolarHBondContact O-CD2 3.49Å; T114-Y118 PolarHBondContact O-N 3.1Å; L115-Y118 CarbonylContact O-C 3.54Å; L115-Y118 PolarHBondContact O-N 2.87Å; L115-Y118 VanDerWaalsContact O-N 3.1Å; L116-Y118 PolarHBondContact O-N 2.8Å
119	S	88.6	Confident	89.9	Confident	24 Å²	24	79 Å²	79	17%	0.168	39%	0.387	C	S	.	.	S	Bend	trans	-77.9	154.2	179.4	-92.9	0	0	0	0	111.9	E36 L40 L115 L116 I121	E36-S119 WeakPolarHBondContact OE1-CA 3.15Å; E36-S119 WeakPolarHBondContact OE1-CB 3.44Å; E36-S119 PolarHBondContact OE1-OG 2.91Å; L40-S119 WeakPolarHBondContact CD2-OG 3.08Å; L115-S119 PolarHBondContact O-N 3.38Å; L115-S119 PolarHBondContact O-OG 3.29Å; L116-S119 PolarHBondContact O-N 3.17Å; S119-I121 VanDerWaalsContact C-N 3.26Å; S119-I121 PolarHBondContact O-N 2.89Å
120	L	87.3	Confident	89.9	Confident	70 Å²	70	74 Å²	74	37%	0.366	37%	0.372	S	S	.	.			trans	-81.8	72.8	178.2	-63.9	178.4	0	0	0	110.3	F23 L33 E36	F23-L120 HydrophobicContact CZ-CB 4.06Å; L33-L120 WeakPolarHBondContact CD2-O 3.43Å; E36-L120 HydrophobicContact CG-CB 3.98Å; E36-L120 PolarHBondContact OE1-N 3.09Å; E36-L120 VanDerWaalsContact OE1-N 3.13Å
121	I	89.3	Confident	90.1	Very high	86 Å²	86	67 Å²	67	44%	0.441	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-98	123.8	178.5	-61.6	173.2	0	0	0	109	L40 L116 S119	L40-I121 HydrophobicContact CD1-CD1 4.41Å; L40-I121 HydrophobicContact CD1-CG1 4.13Å; L116-I121 HydrophobicContact CB-CD1 4.44Å; L116-I121 HydrophobicContact CD2-CD1 4.02Å; S119-I121 VanDerWaalsContact C-N 3.26Å; S119-I121 PolarHBondContact O-N 2.89Å
122	P	90.7	Very high	90.2	Very high	49 Å²	49	64.6 Å²	64.6	32%	0.318	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-58.6	145.8	177	-25.5	34.7	0	0	0	113.2	F23 L33 D126	F23-P122 HydrophobicContact CD2-CB 4.09Å; F23-P122 HydrophobicContact CD2-CG 4.05Å; F23-P122 HydrophobicContact CE2-CG 4.42Å; F23-P122 HydrophobicContact CG-CG 4.47Å; L33-P122 HydrophobicContact CD1-CG 3.6Å; L33-P122 HydrophobicContact CD2-CG 4.19Å; P122-D126 HydrophobicContact CB-CB 3.97Å
123	E	88.7	Confident	90.2	Very high	108 Å²	108	63.7 Å²	63.7	51%	0.505	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-83.2	169.3	177	-64	-168.1	179.2	0	0	111.9	E125 D126 I127	E123-E125 PolarHBondContact O-N 3.38Å; E123-D126 PolarHBondContact N-OD2 3.37Å; E123-D126 WeakPolarHBondContact O-CB 3.35Å; E123-D126 PolarHBondContact O-N 3.21Å; E123-D126 VanDerWaalsContact O-N 3.13Å; E123-I127 PolarHBondContact O-N 2.77Å
124	L	88.3	Confident	90.3	Very high	115 Å²	115	62.5 Å²	62.5	60%	0.602	33%	0.325	S	S	*	.	H	α-helix	trans	-58.1	-33.8	175.4	-174.9	62.9	0	0	0	111.9	D126 I127 N128 Y161	L124-D126 VanDerWaalsContact C-N 3.35Å; L124-I127 PolarHBondContact O-N 3.11Å; L124-N128 PolarHBondContact O-N 2.92Å; L124-Y161 VanDerWaalsContact CD1-OH 3.26Å; L124-Y161 WeakPolarHBondContact CD1-OH 3.43Å
125	E	87.7	Confident	90.3	Very high	115 Å²	115	59.2 Å²	59.2	54%	0.537	30%	0.304	S	S	.	.	H	α-helix	trans	-66.8	-34.8	178.8	-172.5	59.1	-165.2	0	0	112.6	E123 I127 N128 S129	E123-E125 PolarHBondContact O-N 3.38Å; E125-I127 VanDerWaalsContact C-N 3.3Å; E125-I127 PolarHBondContact O-N 2.79Å; E125-N128 PolarHBondContact O-N 2.79Å; E125-S129 VanDerWaalsContact O-CB 3.23Å; E125-S129 WeakPolarHBondContact O-CB 3.12Å; E125-S129 PolarHBondContact O-N 3.4Å; E125-S129 PolarHBondContact O-OG 2.79Å
126	D	88.7	Confident	90.3	Very high	15 Å²	15	56.9 Å²	56.9	8%	0.08	30%	0.295	C	S	.	.	H	α-helix	trans	-61.4	-41.9	173.5	-72.2	-67.1	0	0	0	111.2	F23 F24 P122 E123 L124 A130	F23-D126 PolarHBondContact N-OD1 3.21Å; F24-D126 PolarHBondContact N-OD1 3.01Å; P122-D126 HydrophobicContact CB-CB 3.97Å; E123-D126 PolarHBondContact N-OD2 3.37Å; E123-D126 WeakPolarHBondContact O-CB 3.35Å; E123-D126 PolarHBondContact O-N 3.21Å; E123-D126 VanDerWaalsContact O-N 3.13Å; L124-D126 VanDerWaalsContact C-N 3.35Å; D126-A130 VanDerWaalsContact O-CB 3.23Å; D126-A130 WeakPolarHBondContact O-CB 3.35Å; D126-A130 PolarHBondContact O-N 2.88Å
127	I	90.8	Very high	90.3	Very high	84 Å²	84	55 Å²	55	43%	0.431	29%	0.285	S	S	.	.	H	α-helix	trans	-68.9	-44.2	-180	-53.6	174.8	0	0	0	110.3	E123 L124 E125 A130 A131 Y161	E123-I127 PolarHBondContact O-N 2.77Å; L124-I127 PolarHBondContact O-N 3.11Å; E125-I127 VanDerWaalsContact C-N 3.3Å; E125-I127 PolarHBondContact O-N 2.79Å; I127-A130 PolarHBondContact O-N 2.8Å; I127-A131 WeakPolarHBondContact O-CB 3.21Å; I127-A131 PolarHBondContact O-N 2.92Å; I127-Y161 HydrophobicContact CG2-CD1 4.29Å; I127-Y161 HydrophobicContact CG2-CE1 3.58Å
128	N	92	Very high	90.4	Very high	32 Å²	32	49 Å²	49	17%	0.171	25%	0.253	C	S	.	.	H	α-helix	trans	-59.6	-48	175.9	-73.2	-16.3	0	0	0	111.5	L124 E125 A130 A131 L132 Y161	L124-N128 PolarHBondContact O-N 2.92Å; E125-N128 PolarHBondContact O-N 2.79Å; N128-A130 PolarHBondContact O-N 2.83Å; N128-A131 WeakPolarHBondContact O-CB 3.47Å; N128-A131 PolarHBondContact O-N 3.3Å; N128-L132 PolarHBondContact O-N 3.25Å; N128-Y161 PolarHBondContact OD1-OH 3.27Å
129	S	88.4	Confident	90.5	Very high	11 Å²	11	43 Å²	43	8%	0.077	23%	0.232	C	C	.	.	H	α-helix	trans	-67.7	-35	179.8	-72.4	0	0	0	0	112.6	F24 E125 L132 G133	F24-S129 VanDerWaalsContact CD1-CB 3.42Å; F24-S129 VanDerWaalsContact CD2-CB 3.45Å; F24-S129 WeakPolarHBondContact CE1-OG 3.42Å; F24-S129 VanDerWaalsContact CE2-CB 3.4Å; F24-S129 VanDerWaalsContact CG-CB 3.45Å; F24-S129 WeakPolarHBondContact CZ-OG 3.12Å; E125-S129 VanDerWaalsContact O-CB 3.23Å; E125-S129 WeakPolarHBondContact O-CB 3.12Å; E125-S129 PolarHBondContact O-N 3.4Å; E125-S129 PolarHBondContact O-OG 2.79Å; S129-L132 PolarHBondContact O-N 3.12Å; S129-G133 PolarHBondContact O-N 3Å
130	A	91.9	Very high	90.6	Very high	21 Å²	21	42 Å²	42	17%	0.174	22%	0.224	C	C	.	.	H	α-helix	trans	-63.3	-43.7	170.9	0	0	0	0	0	111.7	F24 D126 I127 N128 G133 L134 I388	F24-A130 HydrophobicContact CB-CB 4.33Å; D126-A130 VanDerWaalsContact O-CB 3.23Å; D126-A130 WeakPolarHBondContact O-CB 3.35Å; D126-A130 PolarHBondContact O-N 2.88Å; I127-A130 PolarHBondContact O-N 2.8Å; N128-A130 PolarHBondContact O-N 2.83Å; A130-G133 WeakPolarHBondContact O-CA 3.08Å; A130-G133 PolarHBondContact O-N 3.11Å; A130-G133 VanDerWaalsContact O-N 3.14Å; A130-L134 PolarHBondContact O-N 2.86Å; A130-I388 HydrophobicContact CB-CD1 3.76Å
131	A	94.2	Very high	90.8	Very high	4 Å²	4	40 Å²	40	3%	0.033	21%	0.212	C	C	.	.	H	α-helix	trans	-61.7	-42.9	174.5	0	0	0	0	0	111.4	I127 N128 G133 L134 I135 I162 V165	I127-A131 WeakPolarHBondContact O-CB 3.21Å; I127-A131 PolarHBondContact O-N 2.92Å; N128-A131 WeakPolarHBondContact O-CB 3.47Å; N128-A131 PolarHBondContact O-N 3.3Å; A131-G133 VanDerWaalsContact C-N 3.29Å; A131-G133 PolarHBondContact O-N 2.86Å; A131-L134 WeakPolarHBondContact O-CB 3.47Å; A131-L134 PolarHBondContact O-N 2.69Å; A131-L134 VanDerWaalsContact O-N 3.16Å; A131-I135 WeakPolarHBondContact O-CD1 3.18Å; A131-I135 VanDerWaalsContact O-CG1 3.31Å; A131-I135 WeakPolarHBondContact O-CG1 3.26Å; A131-I135 PolarHBondContact O-N 2.92Å; A131-I162 HydrophobicContact CB-CG1 4.16Å; A131-I162 HydrophobicContact CB-CG2 4.4Å; A131-V165 HydrophobicContact CB-CB 4.13Å; A131-V165 HydrophobicContact CB-CG1 4.09Å; A131-V165 HydrophobicContact CB-CG2 4.05Å
132	L	92	Very high	91	Very high	44 Å²	44	38.1 Å²	38.1	23%	0.23	20%	0.201	C	C	.	.	H	α-helix	trans	-60.8	-37	172.2	-79.9	172.7	0	0	0	112.7	N128 S129 I135 G136 V165 E169	N128-L132 PolarHBondContact O-N 3.25Å; S129-L132 PolarHBondContact O-N 3.12Å; L132-I135 HydrophobicContact CD2-CD1 4.26Å; L132-I135 PolarHBondContact O-N 3.27Å; L132-G136 PolarHBondContact O-N 2.89Å; L132-V165 HydrophobicContact CD2-CG1 4.13Å; L132-V165 HydrophobicContact CG-CG1 3.84Å; L132-E169 HydrophobicContact CD1-CG 4.46Å; L132-E169 HydrophobicContact CD2-CB 4.32Å; L132-E169 HydrophobicContact CD2-CG 3.7Å
133	G	90.9	Very high	91.1	Very high	10 Å²	10	37.1 Å²	37.1	10%	0.103	19%	0.193	C	C	.	.	H	α-helix	trans	-58.3	-46.8	171.5	0	0	0	0	0	112.1	S129 A130 A131 G136 L137	S129-G133 PolarHBondContact O-N 3Å; A130-G133 WeakPolarHBondContact O-CA 3.08Å; A130-G133 PolarHBondContact O-N 3.11Å; A130-G133 VanDerWaalsContact O-N 3.14Å; A131-G133 VanDerWaalsContact C-N 3.29Å; A131-G133 PolarHBondContact O-N 2.86Å; G133-G136 PolarHBondContact O-N 2.86Å; G133-L137 WeakPolarHBondContact O-CG 3.47Å; G133-L137 PolarHBondContact O-N 2.74Å
134	L	93.8	Very high	91.5	Very high	39 Å²	39	35.4 Å²	35.4	20%	0.204	18%	0.182	C	C	.	.	H	α-helix	trans	-63.1	-41.4	175.5	-63	-179.7	0	0	0	112.3	A130 A131 G136 L137 Q138 I148 I162 I388	A130-L134 PolarHBondContact O-N 2.86Å; A131-L134 WeakPolarHBondContact O-CB 3.47Å; A131-L134 PolarHBondContact O-N 2.69Å; A131-L134 VanDerWaalsContact O-N 3.16Å; L134-G136 VanDerWaalsContact C-N 3.34Å; L134-L137 HydrophobicContact CD2-CD1 4.31Å; L134-L137 WeakPolarHBondContact O-CB 3.31Å; L134-L137 PolarHBondContact O-N 2.72Å; L134-Q138 PolarHBondContact O-N 2.72Å; L134-Q138 VanDerWaalsContact O-N 3.12Å; L134-I148 HydrophobicContact CD2-CG2 4.12Å; L134-I162 HydrophobicContact CD1-CD1 3.65Å; L134-I388 HydrophobicContact CD2-CG2 4.18Å; L134-I388 HydrophobicContact CG-CG2 4.48Å
135	I	93.3	Very high	91.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-65	-40.6	176.1	-63	155.6	0	0	0	110.5	A131 L132 L137 Q138 E139 I162 V165 A166 K171 H174	A131-I135 WeakPolarHBondContact O-CD1 3.18Å; A131-I135 VanDerWaalsContact O-CG1 3.31Å; A131-I135 WeakPolarHBondContact O-CG1 3.26Å; A131-I135 PolarHBondContact O-N 2.92Å; L132-I135 HydrophobicContact CD2-CD1 4.26Å; L132-I135 PolarHBondContact O-N 3.27Å; I135-L137 VanDerWaalsContact C-N 3.27Å; I135-L137 PolarHBondContact O-N 3.38Å; I135-Q138 WeakPolarHBondContact O-CB 3.22Å; I135-Q138 PolarHBondContact O-N 3.47Å; I135-E139 WeakPolarHBondContact O-CG 3.29Å; I135-E139 PolarHBondContact O-N 2.03Å; I135-I162 HydrophobicContact CD1-CG2 4.13Å; I135-I162 HydrophobicContact CG1-CG2 3.95Å; I135-V165 HydrophobicContact CD1-CG1 4.35Å; I135-A166 HydrophobicContact CD1-CB 3.56Å; I135-A166 HydrophobicContact CG1-CB 4.2Å; I135-K171 HydrophobicContact CG2-CD 3.49Å; I135-K171 VanDerWaalsContact CG2-CD 3.49Å; I135-H174 HydrophobicContact CG2-CB 4.06Å
136	G	90.4	Very high	92.3	Very high	11 Å²	11	29.9 Å²	29.9	11%	0.113	15%	0.153	C	C	.	.	H	α-helix	trans	-60.8	-34.8	174.1	0	0	0	0	0	112.8	L132 G133 L134 E139 I140	L132-G136 PolarHBondContact O-N 2.89Å; G133-G136 PolarHBondContact O-N 2.86Å; L134-G136 VanDerWaalsContact C-N 3.34Å; G136-E139 PolarHBondContact O-N 3.47Å; G136-I140 WeakPolarHBondContact O-CG1 3.42Å; G136-I140 PolarHBondContact O-N 2.8Å; G136-I140 VanDerWaalsContact O-N 3.08Å
137	L	92.3	Very high	92.6	Very high	7 Å²	7	32.4 Å²	32.4	4%	0.037	17%	0.167	C	C	.	.	H	α-helix	trans	-65.3	-40.7	171.3	-68	172.6	0	0	0	112	G133 L134 I135 Y141 P460 V461 L462	G133-L137 WeakPolarHBondContact O-CG 3.47Å; G133-L137 PolarHBondContact O-N 2.74Å; L134-L137 HydrophobicContact CD2-CD1 4.31Å; L134-L137 WeakPolarHBondContact O-CB 3.31Å; L134-L137 PolarHBondContact O-N 2.72Å; I135-L137 VanDerWaalsContact C-N 3.27Å; I135-L137 PolarHBondContact O-N 3.38Å; L137-Y141 HydrophobicContact CD2-CD2 4.02Å; L137-Y141 HydrophobicContact CD2-CE2 3.97Å; L137-Y141 WeakPolarHBondContact O-CB 3.27Å; L137-Y141 PolarHBondContact O-N 2.8Å; L137-P460 HydrophobicContact CD2-CB 3.58Å; L137-V461 WeakPolarHBondContact CD2-O 2.93Å; L137-L462 HydrophobicContact CB-CD1 4.31Å; L137-L462 HydrophobicContact CD1-CD1 4Å; L137-L462 HydrophobicContact CD2-CB 4.33Å; L137-L462 HydrophobicContact CD2-CD1 4.15Å; L137-L462 HydrophobicContact CG-CD1 4.4Å
138	Q	91.6	Very high	92.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.9	-45.1	175.3	-63.8	-179.6	-71.9	0	0	112	L134 I135 K142 L143 I148 W178	L134-Q138 PolarHBondContact O-N 2.72Å; L134-Q138 VanDerWaalsContact O-N 3.12Å; I135-Q138 WeakPolarHBondContact O-CB 3.22Å; I135-Q138 PolarHBondContact O-N 3.47Å; Q138-K142 WeakPolarHBondContact O-CA 3.36Å; Q138-K142 PolarHBondContact O-N 3.16Å; Q138-L143 WeakPolarHBondContact CB-O 3.16Å; Q138-L143 WeakPolarHBondContact CG-O 3.47Å; Q138-L143 PolarHBondContact NE2-O 3.23Å; Q138-L143 PolarHBondContact O-N 3.28Å; Q138-I148 HydrophobicContact CG-CD1 3.29Å; Q138-W178 VanDerWaalsContact CD-NE1 3.33Å
139	E	89.6	Confident	92.8	Very high	58 Å²	58	29.2 Å²	29.2	27%	0.271	15%	0.151	S	C	.	.	H	α-helix	trans	-60.9	-51.5	179.9	-72.3	171.9	171.6	0	0	111.2	I135 G136 K171 H174	I135-E139 WeakPolarHBondContact O-CG 3.29Å; I135-E139 PolarHBondContact O-N 2.03Å; G136-E139 PolarHBondContact O-N 3.47Å; E139-K171 VanDerWaalsContact OE1-CD 3.23Å; E139-K171 WeakPolarHBondContact OE1-CD 3.42Å; E139-K171 WeakPolarHBondContact OE1-CE 3.11Å; E139-K171 IonicContact OE1-NZ 2.81Å; E139-K171 PolarHBondContact OE1-NZ 2.61Å; E139-K171 IonicContact OE2-NZ 2.62Å; E139-K171 PolarHBondContact OE2-NZ 3.28Å; E139-H174 VanDerWaalsContact CG-CE1 3.45Å; E139-H174 WeakPolarHBondContact CG-CE1 3.07Å
140	I	90	Very high	92.9	Very high	2 Å²	2	36 Å²	36	1%	0.01	18%	0.179	C	C	.	.	H	α-helix	trans	-71.7	-45.3	-174.8	-63.5	-62	0	0	0	111.4	G136 Y262 E263 C266 R267 P460	G136-I140 WeakPolarHBondContact O-CG1 3.42Å; G136-I140 PolarHBondContact O-N 2.8Å; G136-I140 VanDerWaalsContact O-N 3.08Å; I140-Y262 HydrophobicContact CD1-CD1 4.33Å; I140-Y262 HydrophobicContact CD1-CE1 3.79Å; I140-E263 HydrophobicContact CD1-CB 4.41Å; I140-E263 HydrophobicContact CD1-CG 3.74Å; I140-C266 HydrophobicContact CG2-CB 3.73Å; I140-R267 WeakPolarHBondContact O-CD 3.43Å; I140-R267 WeakPolarHBondContact O-CG 3.34Å; I140-R267 PolarHBondContact O-NH1 3.31Å; I140-P460 HydrophobicContact CB-CG 4.05Å; I140-P460 HydrophobicContact CG1-CG 3.8Å; I140-P460 HydrophobicContact CG2-CG 4.01Å
141	Y	92.7	Very high	92.8	Very high	29 Å²	29	42.3 Å²	42.3	11%	0.114	21%	0.205	C	C	.	.	H	α-helix	trans	-94.9	0.4	-173.2	-69.3	-73.1	0	0	0	114.6	L137 L143 C266 R267 G419 P460 L462	L137-Y141 HydrophobicContact CD2-CD2 4.02Å; L137-Y141 HydrophobicContact CD2-CE2 3.97Å; L137-Y141 WeakPolarHBondContact O-CB 3.27Å; L137-Y141 PolarHBondContact O-N 2.8Å; Y141-L143 VanDerWaalsContact C-N 3.31Å; Y141-L143 HydrophobicContact CG-CD1 4.49Å; Y141-L143 PolarHBondContact O-N 2.99Å; Y141-C266 HydrophobicContact CE1-CB 4.49Å; Y141-C266 VanDerWaalsContact CE1-O 3.29Å; Y141-C266 WeakPolarHBondContact CE1-O 3.47Å; Y141-R267 HydrophobicContact CD1-CG 4.26Å; Y141-G419 WeakPolarHBondContact OH-CA 3.22Å; Y141-P460 HydrophobicContact CE2-CB 4.13Å; Y141-P460 HydrophobicContact CE2-CG 4.33Å; Y141-P460 PolarHBondContact OH-O 2.92Å; Y141-L462 HydrophobicContact CD2-CB 4.3Å; Y141-L462 HydrophobicContact CD2-CD2 4.36Å; Y141-L462 HydrophobicContact CE2-CB 4.03Å; Y141-L462 HydrophobicContact CG-CD2 4.31Å
142	K	92.1	Very high	92.7	Very high	46 Å²	46	47.3 Å²	47.3	20%	0.2	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	46.5	-175.5	-60.6	174.5	-177.6	162.6	0	112.1	Q138 L254 N255 T256 E269	Q138-K142 WeakPolarHBondContact O-CA 3.36Å; Q138-K142 PolarHBondContact O-N 3.16Å; K142-L254 VanDerWaalsContact C-CD1 3.41Å; K142-L254 HydrophobicContact CB-CD1 4.38Å; K142-N255 WeakPolarHBondContact CE-O 3.28Å; K142-T256 PolarHBondContact NZ-O 3.38Å; K142-E269 IonicContact NZ-OE1 3.94Å; K142-E269 PolarHBondContact NZ-OE1 3.17Å; K142-E269 IonicContact NZ-OE2 2.8Å; K142-E269 PolarHBondContact NZ-OE2 3.14Å
143	L	94.3	Very high	92.9	Very high	29 Å²	29	48.8 Å²	48.8	15%	0.152	25%	0.247	C	C	.	.			trans	-96.8	139.8	-176.1	-59.5	174.5	0	0	0	111.9	Q138 Y141 N147 I148 L462	Q138-L143 WeakPolarHBondContact CB-O 3.16Å; Q138-L143 WeakPolarHBondContact CG-O 3.47Å; Q138-L143 PolarHBondContact NE2-O 3.23Å; Q138-L143 PolarHBondContact O-N 3.28Å; Y141-L143 VanDerWaalsContact C-N 3.31Å; Y141-L143 HydrophobicContact CG-CD1 4.49Å; Y141-L143 PolarHBondContact O-N 2.99Å; L143-N147 HydrophobicContact CB-CB 4.23Å; L143-N147 HydrophobicContact CD2-CB 4.02Å; L143-I148 HydrophobicContact CB-CD1 4.25Å; L143-I148 HydrophobicContact CB-CG1 4.04Å; L143-I148 HydrophobicContact CD1-CD1 4.49Å; L143-I148 HydrophobicContact CD1-CG1 3.96Å; L143-L462 HydrophobicContact CD1-CD1 3.53Å; L143-L462 HydrophobicContact CD1-CD2 3.75Å; L143-L462 HydrophobicContact CD1-CG 4.33Å
144	Y	96.7	Very high	93.1	Very high	71 Å²	71	49.9 Å²	49.9	28%	0.278	25%	0.251	S	S	.	.			trans	-85.3	158.2	167.1	-64.5	-86.2	0	0	0	110.2	H146 N147 I148 L177 F252 L254	Y144-H146 WeakPolarHBondContact CB-CE1 3.5Å; Y144-H146 WeakPolarHBondContact CB-ND1 3.33Å; Y144-H146 AromaticContact CG-CE1 3.84Å; Y144-H146 PolarHBondContact O-N 3.35Å; Y144-H146 VanDerWaalsContact O-N 3.11Å; Y144-N147 WeakPolarHBondContact CB-OD1 3.36Å; Y144-N147 PolarHBondContact N-OD1 3.46Å; Y144-N147 WeakPolarHBondContact O-CB 3.42Å; Y144-N147 PolarHBondContact O-N 3.31Å; Y144-I148 PolarHBondContact O-N 3.33Å; Y144-L177 HydrophobicContact CD1-CD1 4.05Å; Y144-L177 HydrophobicContact CD1-CD2 4.14Å; Y144-L177 HydrophobicContact CE1-CD1 4.2Å; Y144-L177 HydrophobicContact CE1-CD2 4.25Å; Y144-F252 WeakPolarHBondContact CE1-O 3.43Å; Y144-F252 PolarHBondContact OH-O 2.97Å; Y144-L254 HydrophobicContact CE1-CD1 4.32Å; Y144-L254 HydrophobicContact CE1-CG 4.15Å; Y144-L254 HydrophobicContact CE2-CD1 4.32Å
145	P	97.4	Very high	93.2	Very high	5 Å²	5	50.1 Å²	50.1	3%	0.032	26%	0.255	C	S	.	.	H	α-helix	trans	-48.3	-43.3	177.9	-32.9	38.5	0	0	0	113.8	N147 I148 T149 L177 W178 H181	P145-N147 PolarHBondContact O-N 3.02Å; P145-I148 PolarHBondContact O-N 2.73Å; P145-I148 VanDerWaalsContact O-N 3.1Å; P145-T149 WeakPolarHBondContact O-CG2 3.35Å; P145-T149 PolarHBondContact O-N 3.13Å; P145-T149 PolarHBondContact O-OG1 3.44Å; P145-L177 HydrophobicContact CG-CB 4.1Å; P145-W178 HydrophobicContact CB-CD2 4.12Å; P145-W178 HydrophobicContact CB-CE3 3.81Å; P145-W178 HydrophobicContact CB-CH2 3.96Å; P145-W178 HydrophobicContact CB-CZ2 4.26Å; P145-W178 HydrophobicContact CB-CZ3 3.73Å; P145-W178 HydrophobicContact CG-CD2 3.88Å; P145-W178 HydrophobicContact CG-CE3 4.06Å; P145-W178 HydrophobicContact CG-CG 4.27Å; P145-W178 HydrophobicContact CG-CZ2 4.42Å; P145-W178 HydrophobicContact CG-CZ3 4.4Å; P145-H181 HydrophobicContact CB-CB 3.68Å; P145-H181 HydrophobicContact CG-CB 4.08Å
146	H	95.4	Very high	93.4	Very high	109 Å²	109	50.2 Å²	50.2	51%	0.505	26%	0.256	S	S	.	.	H	α-helix	trans	-66	-19.3	179.5	70.8	-95	0	0	0	114.6	Y144	Y144-H146 WeakPolarHBondContact CB-CE1 3.5Å; Y144-H146 WeakPolarHBondContact CB-ND1 3.33Å; Y144-H146 AromaticContact CG-CE1 3.84Å; Y144-H146 PolarHBondContact O-N 3.35Å; Y144-H146 VanDerWaalsContact O-N 3.11Å
147	N	94.6	Very high	93.8	Very high	68 Å²	68	51.7 Å²	51.7	36%	0.364	26%	0.262	S	S	.	.	H	α-helix	trans	-78.1	-38.4	173.6	-54.8	125.5	0	0	0	110.9	L143 Y144 P145	L143-N147 HydrophobicContact CB-CB 4.23Å; L143-N147 HydrophobicContact CD2-CB 4.02Å; Y144-N147 WeakPolarHBondContact CB-OD1 3.36Å; Y144-N147 PolarHBondContact N-OD1 3.46Å; Y144-N147 WeakPolarHBondContact O-CB 3.42Å; Y144-N147 PolarHBondContact O-N 3.31Å; P145-N147 PolarHBondContact O-N 3.02Å
148	I	93	Very high	94	Very high	38 Å²	38	56.1 Å²	56.1	20%	0.195	28%	0.282	C	S	.	.	H	α-helix	trans	-73	-44.6	178.8	-64.2	176.8	0	0	0	110.2	L134 Q138 L143 Y144 P145 K150	L134-I148 HydrophobicContact CD2-CG2 4.12Å; Q138-I148 HydrophobicContact CG-CD1 3.29Å; L143-I148 HydrophobicContact CB-CD1 4.25Å; L143-I148 HydrophobicContact CB-CG1 4.04Å; L143-I148 HydrophobicContact CD1-CD1 4.49Å; L143-I148 HydrophobicContact CD1-CG1 3.96Å; Y144-I148 PolarHBondContact O-N 3.33Å; P145-I148 PolarHBondContact O-N 2.73Å; P145-I148 VanDerWaalsContact O-N 3.1Å; I148-K150 PolarHBondContact O-N 2.74Å
149	T	94	Very high	94.4	Very high	12 Å²	12	56.1 Å²	56.1	7%	0.074	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	22.7	-175.8	71.1	0	0	0	0	113.3	P145 T152 P153 L154 W178	P145-T149 WeakPolarHBondContact O-CG2 3.35Å; P145-T149 PolarHBondContact O-N 3.13Å; P145-T149 PolarHBondContact O-OG1 3.44Å; T149-T152 CarbonylContact C-O 3.42Å; T149-T152 WeakPolarHBondContact CA-O 3.17Å; T149-T152 CarbonylContact O-C 3.47Å; T149-P153 WeakPolarHBondContact O-CA 3.4Å; T149-L154 HydrophobicContact CG2-CB 4.3Å; T149-L154 HydrophobicContact CG2-CD1 3.85Å; T149-L154 HydrophobicContact CG2-CG 3.81Å; T149-W178 HydrophobicContact CG2-CH2 3.9Å; T149-W178 HydrophobicContact CG2-CZ3 4.03Å
150	K	90.9	Very high	94.8	Very high	153 Å²	153	55.3 Å²	55.3	67%	0.665	28%	0.277	S	S	*	.	S	Bend	trans	-69.2	-48.7	-173.9	-179.1	-173.6	167.2	-159.8	0	111.7	I148	I148-K150 PolarHBondContact O-N 2.74Å
151	E	89.4	Confident	95.2	Very high	154 Å²	154	58.5 Å²	58.5	72%	0.72	29%	0.289	S	S	*	.	S	Bend	trans	-85.7	-35.4	-178.1	-55.9	-56.5	144.7	0	0	111.2
152	T	93.1	Very high	95.4	Very high	109 Å²	109	57.6 Å²	57.6	67%	0.669	29%	0.286	S	S	*	.	S	Bend	trans	-122.8	95.6	177.2	-49.5	0	0	0	0	109.4	T149	T149-T152 CarbonylContact C-O 3.42Å; T149-T152 WeakPolarHBondContact CA-O 3.17Å; T149-T152 CarbonylContact O-C 3.47Å
153	P	94.6	Very high	95.7	Very high	74 Å²	74	55.4 Å²	55.4	48%	0.481	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-68.9	133.4	179.2	-19.7	32.7	0	0	0	111.6	T149	T149-P153 WeakPolarHBondContact O-CA 3.4Å
154	L	96	Very high	95.9	Very high	34 Å²	34	55.9 Å²	55.9	18%	0.178	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-84.3	151.8	170.5	-63.6	-179.9	0	0	0	111	T149 E158 I162 W178 R185	T149-L154 HydrophobicContact CG2-CB 4.3Å; T149-L154 HydrophobicContact CG2-CD1 3.85Å; T149-L154 HydrophobicContact CG2-CG 3.81Å; L154-E158 HydrophobicContact CB-CB 4.07Å; L154-E158 HydrophobicContact CD2-CB 4.2Å; L154-I162 HydrophobicContact CD1-CD1 3.35Å; L154-W178 HydrophobicContact CD1-CH2 4.08Å; L154-W178 HydrophobicContact CD1-CZ3 3.88Å; L154-R185 PolarHBondContact O-NE 2.78Å; L154-R185 PolarHBondContact O-NH2 3.31Å
155	S	96.5	Very high	95.9	Very high	44 Å²	44	52.8 Å²	52.8	31%	0.308	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-68.4	171.5	166.5	65.8	0	0	0	0	111.5	D157 E158 A159	S155-D157 VanDerWaalsContact C-N 3.28Å; S155-D157 PolarHBondContact O-N 3.48Å; S155-E158 VanDerWaalsContact CB-OE2 3.27Å; S155-E158 WeakPolarHBondContact CB-OE2 3.35Å; S155-E158 PolarHBondContact N-OE2 2.95Å; S155-E158 VanDerWaalsContact OG-CD 3.25Å; S155-E158 VanDerWaalsContact OG-CG 3.28Å; S155-E158 WeakPolarHBondContact OG-CG 3.32Å; S155-E158 PolarHBondContact OG-N 3.22Å; S155-E158 VanDerWaalsContact OG-N 3.17Å; S155-E158 PolarHBondContact OG-OE2 3.41Å; S155-A159 WeakPolarHBondContact O-CB 3.5Å; S155-A159 PolarHBondContact O-N 2.84Å; S155-A159 VanDerWaalsContact O-N 3.12Å
156	A	97.5	Very high	95.9	Very high	2 Å²	2	52.6 Å²	52.6	2%	0.017	27%	0.266	C	S	.	.	H	α-helix	trans	-62.1	-39	173.1	0	0	0	0	0	111.7	Y160 S182 R185 L186 T192	A156-Y160 WeakPolarHBondContact O-CB 3.37Å; A156-Y160 PolarHBondContact O-N 2.72Å; A156-S182 WeakPolarHBondContact O-CB 3.44Å; A156-S182 PolarHBondContact O-OG 2.89Å; A156-R185 HydrophobicContact CB-CB 4.42Å; A156-L186 HydrophobicContact CB-CD2 4.08Å; A156-T192 HydrophobicContact CB-CG2 4.15Å
157	D	97.9	Very high	96	Very high	42 Å²	42	49.9 Å²	49.9	23%	0.225	25%	0.252	C	S	.	.	H	α-helix	trans	-68.9	-44.1	-177.9	-64.9	-58	0	0	0	112	S155 Y160 Y161 S190 S191 T192	S155-D157 VanDerWaalsContact C-N 3.28Å; S155-D157 PolarHBondContact O-N 3.48Å; D157-Y160 WeakPolarHBondContact O-CB 3.49Å; D157-Y160 PolarHBondContact O-N 3.31Å; D157-Y161 PolarHBondContact O-N 3.38Å; D157-S190 WeakPolarHBondContact OD2-CA 3.02Å; D157-S191 VanDerWaalsContact CG-OG 3.24Å; D157-S191 WeakPolarHBondContact OD1-CA 3.46Å; D157-S191 WeakPolarHBondContact OD1-CB 3.36Å; D157-S191 PolarHBondContact OD1-N 3.17Å; D157-S191 PolarHBondContact OD1-OG 2.91Å; D157-S191 PolarHBondContact OD2-N 3.03Å; D157-T192 WeakPolarHBondContact OD1-CB 3.43Å; D157-T192 WeakPolarHBondContact OD1-CG2 3.18Å; D157-T192 PolarHBondContact OD1-N 3.35Å
158	E	97.6	Very high	96.1	Very high	100 Å²	100	53.2 Å²	53.2	47%	0.467	27%	0.265	S	S	.	.	H	α-helix	trans	-65.7	-43.4	176.2	-68.9	159.5	145.1	0	0	111.6	L154 S155 Y160 Y161 I162	L154-E158 HydrophobicContact CB-CB 4.07Å; L154-E158 HydrophobicContact CD2-CB 4.2Å; S155-E158 VanDerWaalsContact CB-OE2 3.27Å; S155-E158 WeakPolarHBondContact CB-OE2 3.35Å; S155-E158 PolarHBondContact N-OE2 2.95Å; S155-E158 VanDerWaalsContact OG-CD 3.25Å; S155-E158 VanDerWaalsContact OG-CG 3.28Å; S155-E158 WeakPolarHBondContact OG-CG 3.32Å; S155-E158 PolarHBondContact OG-N 3.22Å; S155-E158 VanDerWaalsContact OG-N 3.17Å; S155-E158 PolarHBondContact OG-OE2 3.41Å; E158-Y160 VanDerWaalsContact C-N 3.29Å; E158-Y160 PolarHBondContact O-N 3.43Å; E158-Y161 WeakPolarHBondContact O-CB 3.45Å; E158-Y161 PolarHBondContact O-N 2.95Å; E158-I162 PolarHBondContact O-N 3.03Å; E158-I162 VanDerWaalsContact O-N 3.13Å
159	A	98.1	Very high	96.2	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-64.8	-34.9	175.1	0	0	0	0	0	112.2	S155 G163 W178	S155-A159 WeakPolarHBondContact O-CB 3.5Å; S155-A159 PolarHBondContact O-N 2.84Å; S155-A159 VanDerWaalsContact O-N 3.12Å; A159-G163 PolarHBondContact O-N 2.87Å; A159-G163 VanDerWaalsContact O-N 3.14Å; A159-W178 HydrophobicContact CB-CE3 4.01Å; A159-W178 HydrophobicContact CB-CZ3 4.29Å
160	Y	98.4	Very high	96.3	Very high	41 Å²	41	61.5 Å²	61.5	16%	0.161	31%	0.306	C	S	.	.	H	α-helix	trans	-64.9	-42.7	174.1	170.8	-107.6	0	0	0	111.1	A156 D157 E158 G163 L164 F179 T192 L197 F200	A156-Y160 WeakPolarHBondContact O-CB 3.37Å; A156-Y160 PolarHBondContact O-N 2.72Å; D157-Y160 WeakPolarHBondContact O-CB 3.49Å; D157-Y160 PolarHBondContact O-N 3.31Å; E158-Y160 VanDerWaalsContact C-N 3.29Å; E158-Y160 PolarHBondContact O-N 3.43Å; Y160-G163 CarbonylContact O-C 3.55Å; Y160-G163 WeakPolarHBondContact O-CA 2.97Å; Y160-G163 PolarHBondContact O-N 3.07Å; Y160-G163 VanDerWaalsContact O-N 3.1Å; Y160-L164 HydrophobicContact CD1-CD1 4.08Å; Y160-L164 HydrophobicContact CD1-CG 4.44Å; Y160-L164 HydrophobicContact CE1-CD1 3.48Å; Y160-L164 VanDerWaalsContact CE1-CD1 3.48Å; Y160-L164 HydrophobicContact CE1-CD2 4.47Å; Y160-L164 HydrophobicContact CE1-CG 4.03Å; Y160-L164 HydrophobicContact CE2-CD2 4.12Å; Y160-L164 HydrophobicContact CE2-CG 4.23Å; Y160-L164 PolarHBondContact O-N 3.17Å; Y160-F179 AromaticContact CD2-CD1 3.77Å; Y160-F179 HydrophobicContact CD2-CD1 3.77Å; Y160-F179 AromaticContact CD2-CE1 3.69Å; Y160-F179 HydrophobicContact CD2-CE1 3.69Å; Y160-F179 HydrophobicContact CE2-CD1 4.24Å; Y160-F179 AromaticContact CE2-CE1 3.86Å; Y160-F179 HydrophobicContact CE2-CE1 3.86Å; Y160-T192 HydrophobicContact CG-CG2 4.41Å; Y160-L197 HydrophobicContact CD2-CD2 3.63Å; Y160-L197 HydrophobicContact CD2-CG 4.34Å; Y160-L197 HydrophobicContact CE2-CD2 4.39Å; Y160-L197 HydrophobicContact CG-CD2 4.45Å; Y160-F200 AromaticContact CE2-CD2 3.76Å; Y160-F200 HydrophobicContact CE2-CD2 3.76Å; Y160-F200 AromaticContact CE2-CE2 3.94Å; Y160-F200 HydrophobicContact CE2-CE2 3.94Å; Y160-F200 AromaticContact CZ-CE2 4Å; Y160-F200 WeakPolarHBondContact OH-CE2 3.39Å
161	Y	98.1	Very high	96.5	Very high	69 Å²	69	56.6 Å²	56.6	27%	0.271	29%	0.285	S	S	.	.	H	α-helix	trans	-58.5	-48.8	176.3	-172.5	-87.1	0	0	0	112.3	L124 I127 N128 D157 E158 G163 L164 V165	L124-Y161 VanDerWaalsContact CD1-OH 3.26Å; L124-Y161 WeakPolarHBondContact CD1-OH 3.43Å; I127-Y161 HydrophobicContact CG2-CD1 4.29Å; I127-Y161 HydrophobicContact CG2-CE1 3.58Å; N128-Y161 PolarHBondContact OD1-OH 3.27Å; D157-Y161 PolarHBondContact O-N 3.38Å; E158-Y161 WeakPolarHBondContact O-CB 3.45Å; E158-Y161 PolarHBondContact O-N 2.95Å; Y161-G163 PolarHBondContact O-N 3.25Å; Y161-L164 WeakPolarHBondContact O-CB 3.31Å; Y161-L164 PolarHBondContact O-N 2.8Å; Y161-V165 HydrophobicContact CD1-CG2 4.03Å; Y161-V165 HydrophobicContact CE1-CG2 3.62Å; Y161-V165 PolarHBondContact O-N 2.55Å
162	I	97.9	Very high	96.9	Very high	10 Å²	10	50.7 Å²	50.7	5%	0.051	26%	0.257	C	S	.	.	H	α-helix	trans	-59.9	-37.3	176	-58.7	167	0	0	0	110.7	A131 L134 I135 L154 E158 V165 A166 W178	A131-I162 HydrophobicContact CB-CG1 4.16Å; A131-I162 HydrophobicContact CB-CG2 4.4Å; L134-I162 HydrophobicContact CD1-CD1 3.65Å; I135-I162 HydrophobicContact CD1-CG2 4.13Å; I135-I162 HydrophobicContact CG1-CG2 3.95Å; L154-I162 HydrophobicContact CD1-CD1 3.35Å; E158-I162 PolarHBondContact O-N 3.03Å; E158-I162 VanDerWaalsContact O-N 3.13Å; I162-V165 PolarHBondContact O-N 2.75Å; I162-A166 WeakPolarHBondContact O-CB 3.29Å; I162-A166 PolarHBondContact O-N 2.94Å; I162-W178 HydrophobicContact CB-CD2 3.97Å; I162-W178 HydrophobicContact CB-CE3 4.28Å; I162-W178 HydrophobicContact CB-CG 4.21Å; I162-W178 HydrophobicContact CD1-CD2 4.47Å; I162-W178 HydrophobicContact CD1-CE3 4.2Å; I162-W178 HydrophobicContact CD1-CH2 3.76Å; I162-W178 HydrophobicContact CD1-CZ2 4.04Å; I162-W178 HydrophobicContact CD1-CZ3 3.85Å; I162-W178 HydrophobicContact CG2-CD2 3.71Å; I162-W178 VanDerWaalsContact CG2-CE2 3.44Å; I162-W178 HydrophobicContact CG2-CE3 4.43Å; I162-W178 HydrophobicContact CG2-CG 3.86Å; I162-W178 HydrophobicContact CG2-CZ2 3.98Å
163	G	98.2	Very high	97.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-61.7	-39.2	173.5	0	0	0	0	0	113.5	A159 Y160 Y161 Y167 A175 F179	A159-G163 PolarHBondContact O-N 2.87Å; A159-G163 VanDerWaalsContact O-N 3.14Å; Y160-G163 CarbonylContact O-C 3.55Å; Y160-G163 WeakPolarHBondContact O-CA 2.97Å; Y160-G163 PolarHBondContact O-N 3.07Å; Y160-G163 VanDerWaalsContact O-N 3.1Å; Y161-G163 PolarHBondContact O-N 3.25Å; G163-Y167 WeakPolarHBondContact O-CB 3.38Å; G163-Y167 PolarHBondContact O-N 3.04Å; G163-A175 WeakPolarHBondContact O-CB 3.12Å; G163-F179 VanDerWaalsContact C-CE1 3.47Å; G163-F179 WeakPolarHBondContact O-CZ 3.27Å
164	L	98.2	Very high	97.2	Very high	39 Å²	39	44 Å²	44	20%	0.204	21%	0.212	C	C	.	.	H	α-helix	trans	-65.2	-49.7	175.7	-70.7	178.8	0	0	0	111.5	Y160 Y161 A166 Y167 E168 F179 F200	Y160-L164 HydrophobicContact CD1-CD1 4.08Å; Y160-L164 HydrophobicContact CD1-CG 4.44Å; Y160-L164 HydrophobicContact CE1-CD1 3.48Å; Y160-L164 VanDerWaalsContact CE1-CD1 3.48Å; Y160-L164 HydrophobicContact CE1-CD2 4.47Å; Y160-L164 HydrophobicContact CE1-CG 4.03Å; Y160-L164 HydrophobicContact CE2-CD2 4.12Å; Y160-L164 HydrophobicContact CE2-CG 4.23Å; Y160-L164 PolarHBondContact O-N 3.17Å; Y161-L164 WeakPolarHBondContact O-CB 3.31Å; Y161-L164 PolarHBondContact O-N 2.8Å; L164-A166 VanDerWaalsContact C-N 3.3Å; L164-A166 PolarHBondContact O-N 3.46Å; L164-Y167 WeakPolarHBondContact O-CA 3.15Å; L164-Y167 WeakPolarHBondContact O-CB 3.17Å; L164-Y167 PolarHBondContact O-N 2.82Å; L164-E168 WeakPolarHBondContact O-CG 3.38Å; L164-E168 PolarHBondContact O-N 3.37Å; L164-F179 HydrophobicContact CD2-CE1 4.19Å; L164-F179 HydrophobicContact CD2-CZ 4.13Å; L164-F179 HydrophobicContact CG-CE1 4.33Å; L164-F200 HydrophobicContact CD2-CD1 4.42Å; L164-F200 HydrophobicContact CD2-CD2 4.42Å; L164-F200 HydrophobicContact CD2-CE1 3.8Å; L164-F200 HydrophobicContact CD2-CE2 3.79Å; L164-F200 HydrophobicContact CD2-CZ 3.44Å; L164-F200 VanDerWaalsContact CD2-CZ 3.44Å
165	V	97.1	Very high	97.3	Very high	6 Å²	6	42.4 Å²	42.4	4%	0.036	20%	0.203	C	C	.	.	H	α-helix	trans	-57.3	-45.6	176.9	175.6	0	0	0	0	110.6	A131 L132 I135 Y161 I162 Y167 E168 E169	A131-V165 HydrophobicContact CB-CB 4.13Å; A131-V165 HydrophobicContact CB-CG1 4.09Å; A131-V165 HydrophobicContact CB-CG2 4.05Å; L132-V165 HydrophobicContact CD2-CG1 4.13Å; L132-V165 HydrophobicContact CG-CG1 3.84Å; I135-V165 HydrophobicContact CD1-CG1 4.35Å; Y161-V165 HydrophobicContact CD1-CG2 4.03Å; Y161-V165 HydrophobicContact CE1-CG2 3.62Å; Y161-V165 PolarHBondContact O-N 2.55Å; I162-V165 PolarHBondContact O-N 2.75Å; V165-Y167 VanDerWaalsContact C-N 3.26Å; V165-Y167 PolarHBondContact O-N 2.9Å; V165-E168 PolarHBondContact O-N 2.81Å; V165-E169 WeakPolarHBondContact O-CG 3.2Å; V165-E169 PolarHBondContact O-N 2.87Å; V165-E169 VanDerWaalsContact O-N 3.15Å
166	A	96.9	Very high	97.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61.5	-34.1	175.1	0	0	0	0	0	113.1	I135 I162 L164 K171 H174 A175	I135-A166 HydrophobicContact CD1-CB 3.56Å; I135-A166 HydrophobicContact CG1-CB 4.2Å; I162-A166 WeakPolarHBondContact O-CB 3.29Å; I162-A166 PolarHBondContact O-N 2.94Å; L164-A166 VanDerWaalsContact C-N 3.3Å; L164-A166 PolarHBondContact O-N 3.46Å; A166-K171 HydrophobicContact CB-CB 4.38Å; A166-K171 CarbonylContact O-C 3.51Å; A166-K171 WeakPolarHBondContact O-CA 3.48Å; A166-K171 WeakPolarHBondContact O-CB 3.46Å; A166-K171 PolarHBondContact O-N 2.87Å; A166-H174 HydrophobicContact CB-CB 4.39Å; A166-A175 HydrophobicContact CB-CB 3.78Å
167	Y	98.1	Very high	97.4	Very high	52 Å²	52	40.7 Å²	40.7	20%	0.204	19%	0.19	C	C	.	.	H	α-helix	trans	-72.4	-39.8	179.7	-172.6	-84.8	0	0	0	111.7	G163 L164 V165 E169 D170 F172 A175 F179 F200 S203	G163-Y167 WeakPolarHBondContact O-CB 3.38Å; G163-Y167 PolarHBondContact O-N 3.04Å; L164-Y167 WeakPolarHBondContact O-CA 3.15Å; L164-Y167 WeakPolarHBondContact O-CB 3.17Å; L164-Y167 PolarHBondContact O-N 2.82Å; V165-Y167 VanDerWaalsContact C-N 3.26Å; V165-Y167 PolarHBondContact O-N 2.9Å; Y167-E169 VanDerWaalsContact C-N 3.27Å; Y167-E169 PolarHBondContact O-N 3.31Å; Y167-D170 PolarHBondContact O-N 3.15Å; Y167-F172 AromaticContact CD2-CD1 3.97Å; Y167-F172 HydrophobicContact CD2-CD1 3.97Å; Y167-F172 HydrophobicContact CD2-CE1 4.18Å; Y167-F172 HydrophobicContact CE2-CD1 4.01Å; Y167-F172 HydrophobicContact CE2-CE1 4.03Å; Y167-A175 HydrophobicContact CD2-CB 4.37Å; Y167-F179 HydrophobicContact CD2-CE2 4.22Å; Y167-F200 HydrophobicContact CD1-CE1 4.5Å; Y167-F200 HydrophobicContact CD2-CD1 4.36Å; Y167-F200 HydrophobicContact CE2-CD1 4.44Å; Y167-S203 PolarHBondContact OH-OG 2.84Å
168	E	96.6	Very high	97.5	Very high	139 Å²	139	38.7 Å²	38.7	65%	0.65	18%	0.18	S	C	*	.	H	α-helix	trans	-65.4	-32.1	176.8	-70.9	176.6	172.5	0	0	112.1	L164 V165 D170	L164-E168 WeakPolarHBondContact O-CG 3.38Å; L164-E168 PolarHBondContact O-N 3.37Å; V165-E168 PolarHBondContact O-N 2.81Å; E168-D170 PolarHBondContact O-N 3.41Å
169	E	94.3	Very high	97.5	Very high	107 Å²	107	34 Å²	34	50%	0.5	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	15.7	176.6	-69.5	-69.8	132.5	0	0	113.8	L132 V165 Y167 K171	L132-E169 HydrophobicContact CD1-CG 4.46Å; L132-E169 HydrophobicContact CD2-CB 4.32Å; L132-E169 HydrophobicContact CD2-CG 3.7Å; V165-E169 WeakPolarHBondContact O-CG 3.2Å; V165-E169 PolarHBondContact O-N 2.87Å; V165-E169 VanDerWaalsContact O-N 3.15Å; Y167-E169 VanDerWaalsContact C-N 3.27Å; Y167-E169 PolarHBondContact O-N 3.31Å; E169-K171 HydrophobicContact CB-CD 4.32Å; E169-K171 HydrophobicContact CB-CG 4.15Å; E169-K171 WeakPolarHBondContact O-CG 3.4Å; E169-K171 PolarHBondContact O-N 3.4Å
170	D	96	Very high	97.5	Very high	116 Å²	116	35.7 Å²	35.7	62%	0.62	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.5	17.1	-177.4	-66.5	-39	0	0	0	114.7	Y167 E168 F172	Y167-D170 PolarHBondContact O-N 3.15Å; E168-D170 PolarHBondContact O-N 3.41Å; D170-F172 HydrophobicContact CB-CE2 3.89Å; D170-F172 HydrophobicContact CB-CZ 3.96Å; D170-F172 VanDerWaalsContact O-CD2 3.24Å; D170-F172 WeakPolarHBondContact O-CD2 3.31Å; D170-F172 PolarHBondContact O-N 3.06Å; D170-F172 WeakPolarHBondContact OD1-CZ 3.18Å
171	K	95.3	Very high	97.5	Very high	50 Å²	50	34.9 Å²	34.9	22%	0.217	16%	0.164	C	C	.	.			trans	-84.2	56.4	178.4	-58.7	-177.3	177.2	-156.6	0	110.9	I135 E139 A166 E169 Q173 H174 A175	I135-K171 HydrophobicContact CG2-CD 3.49Å; I135-K171 VanDerWaalsContact CG2-CD 3.49Å; E139-K171 VanDerWaalsContact OE1-CD 3.23Å; E139-K171 WeakPolarHBondContact OE1-CD 3.42Å; E139-K171 WeakPolarHBondContact OE1-CE 3.11Å; E139-K171 IonicContact OE1-NZ 2.81Å; E139-K171 PolarHBondContact OE1-NZ 2.61Å; E139-K171 IonicContact OE2-NZ 2.62Å; E139-K171 PolarHBondContact OE2-NZ 3.28Å; A166-K171 HydrophobicContact CB-CB 4.38Å; A166-K171 CarbonylContact O-C 3.51Å; A166-K171 WeakPolarHBondContact O-CA 3.48Å; A166-K171 WeakPolarHBondContact O-CB 3.46Å; A166-K171 PolarHBondContact O-N 2.87Å; E169-K171 HydrophobicContact CB-CD 4.32Å; E169-K171 HydrophobicContact CB-CG 4.15Å; E169-K171 WeakPolarHBondContact O-CG 3.4Å; E169-K171 PolarHBondContact O-N 3.4Å; K171-Q173 VanDerWaalsContact C-N 3.3Å; K171-Q173 PolarHBondContact O-N 2.65Å; K171-Q173 VanDerWaalsContact O-N 3.12Å; K171-H174 HydrophobicContact CB-CB 4.39Å; K171-H174 PolarHBondContact O-N 3.09Å; K171-A175 PolarHBondContact O-N 2.74Å
172	F	97.7	Very high	97.5	Very high	31 Å²	31	31.6 Å²	31.6	14%	0.136	15%	0.151	C	C	.	.	H	α-helix	trans	-58.3	-32.4	-167.1	-58.4	-59.8	0	0	0	115.5	Y167 D170 F176 Q207 F208	Y167-F172 AromaticContact CD2-CD1 3.97Å; Y167-F172 HydrophobicContact CD2-CD1 3.97Å; Y167-F172 HydrophobicContact CD2-CE1 4.18Å; Y167-F172 HydrophobicContact CE2-CD1 4.01Å; Y167-F172 HydrophobicContact CE2-CE1 4.03Å; D170-F172 HydrophobicContact CB-CE2 3.89Å; D170-F172 HydrophobicContact CB-CZ 3.96Å; D170-F172 VanDerWaalsContact O-CD2 3.24Å; D170-F172 WeakPolarHBondContact O-CD2 3.31Å; D170-F172 PolarHBondContact O-N 3.06Å; D170-F172 WeakPolarHBondContact OD1-CZ 3.18Å; F172-F176 VanDerWaalsContact O-CB 3.28Å; F172-F176 WeakPolarHBondContact O-CB 3.39Å; F172-F176 PolarHBondContact O-N 3.42Å; F172-Q207 HydrophobicContact CB-CB 4.22Å; F172-Q207 HydrophobicContact CD1-CB 3.54Å; F172-Q207 HydrophobicContact CD1-CG 4.06Å; F172-Q207 HydrophobicContact CD2-CB 3.53Å; F172-Q207 HydrophobicContact CE1-CB 3.67Å; F172-Q207 HydrophobicContact CE1-CG 3.8Å; F172-Q207 HydrophobicContact CE2-CB 3.66Å; F172-Q207 HydrophobicContact CE2-CG 4.38Å; F172-Q207 HydrophobicContact CG-CB 3.47Å; F172-Q207 VanDerWaalsContact CG-CB 3.47Å; F172-Q207 HydrophobicContact CG-CG 4.46Å; F172-Q207 HydrophobicContact CZ-CB 3.71Å; F172-Q207 HydrophobicContact CZ-CG 3.95Å; F172-F208 HydrophobicContact CB-CB 4.02Å
173	Q	97.2	Very high	97.6	Very high	23 Å²	23	32.6 Å²	32.6	11%	0.107	16%	0.156	C	C	.	.	H	α-helix	trans	-63.6	-48.6	174.3	-173.1	171.1	34.2	0	0	111.3	K171 F176 L177 F208 I251 T253 L254	K171-Q173 VanDerWaalsContact C-N 3.3Å; K171-Q173 PolarHBondContact O-N 2.65Å; K171-Q173 VanDerWaalsContact O-N 3.12Å; Q173-F176 PolarHBondContact O-N 2.9Å; Q173-L177 HydrophobicContact CG-CD1 4.46Å; Q173-L177 WeakPolarHBondContact O-CG 3.32Å; Q173-L177 PolarHBondContact O-N 3.43Å; Q173-F208 HydrophobicContact CB-CD2 3.77Å; Q173-F208 HydrophobicContact CB-CE2 3.64Å; Q173-F208 HydrophobicContact CB-CZ 4.33Å; Q173-F208 HydrophobicContact CG-CE2 4.16Å; Q173-F208 HydrophobicContact CG-CZ 4.36Å; Q173-I251 HydrophobicContact CG-CG1 4.15Å; Q173-I251 WeakPolarHBondContact CG-O 3.37Å; Q173-I251 PolarHBondContact NE2-O 3.3Å; Q173-T253 PolarHBondContact NE2-O 3.49Å; Q173-L254 HydrophobicContact CG-CD2 4.27Å
174	H	97	Very high	97.5	Very high	20 Å²	20	38.4 Å²	38.4	9%	0.093	19%	0.188	C	C	.	.	H	α-helix	trans	-67.4	-42.5	179.8	-60.5	95.5	0	0	0	110.9	I135 E139 A166 K171 F176 L177 W178	I135-H174 HydrophobicContact CG2-CB 4.06Å; E139-H174 VanDerWaalsContact CG-CE1 3.45Å; E139-H174 WeakPolarHBondContact CG-CE1 3.07Å; A166-H174 HydrophobicContact CB-CB 4.39Å; K171-H174 HydrophobicContact CB-CB 4.39Å; K171-H174 PolarHBondContact O-N 3.09Å; H174-F176 VanDerWaalsContact C-N 3.34Å; H174-F176 PolarHBondContact O-N 3Å; H174-L177 PolarHBondContact O-N 2.92Å; H174-W178 VanDerWaalsContact O-CD1 3.23Å; H174-W178 PolarHBondContact O-N 3.48Å
175	A	98.5	Very high	97.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-54.1	-50.9	173.2	0	0	0	0	0	111.3	G163 A166 Y167 K171 L177 W178 F179	G163-A175 WeakPolarHBondContact O-CB 3.12Å; A166-A175 HydrophobicContact CB-CB 3.78Å; Y167-A175 HydrophobicContact CD2-CB 4.37Å; K171-A175 PolarHBondContact O-N 2.74Å; A175-L177 VanDerWaalsContact C-N 3.35Å; A175-L177 PolarHBondContact O-N 2.88Å; A175-W178 PolarHBondContact O-N 3.15Å; A175-F179 VanDerWaalsContact C-CD2 3.49Å; A175-F179 HydrophobicContact CB-CD2 4.36Å; A175-F179 HydrophobicContact CB-CE2 3.88Å; A175-F179 WeakPolarHBondContact O-CD2 3.28Å; A175-F179 VanDerWaalsContact O-CG 3.31Å; A175-F179 WeakPolarHBondContact O-CG 3.01Å; A175-F179 PolarHBondContact O-N 3.08Å
176	F	98.7	Very high	97.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-56.8	-45.8	176.8	174.9	-90.9	0	0	0	112.5	F172 Q173 H174 W178 F179 L180 L201 S204 A205 V213 F217 I251 F252	F172-F176 VanDerWaalsContact O-CB 3.28Å; F172-F176 WeakPolarHBondContact O-CB 3.39Å; F172-F176 PolarHBondContact O-N 3.42Å; Q173-F176 PolarHBondContact O-N 2.9Å; H174-F176 VanDerWaalsContact C-N 3.34Å; H174-F176 PolarHBondContact O-N 3Å; F176-W178 VanDerWaalsContact C-N 3.35Å; F176-W178 PolarHBondContact O-N 3.29Å; F176-F179 PolarHBondContact O-N 3.48Å; F176-L180 HydrophobicContact CE1-CD2 4.19Å; F176-L180 WeakPolarHBondContact O-CB 3.49Å; F176-L180 PolarHBondContact O-N 3.35Å; F176-L201 HydrophobicContact CD2-CB 4.48Å; F176-L201 HydrophobicContact CD2-CD2 3.57Å; F176-L201 WeakPolarHBondContact CD2-O 3.15Å; F176-L201 HydrophobicContact CE2-CB 4.34Å; F176-L201 HydrophobicContact CE2-CD2 3.52Å; F176-L201 HydrophobicContact CG-CD2 4.19Å; F176-L201 HydrophobicContact CZ-CD2 4.12Å; F176-L201 WeakPolarHBondContact O-CD2 3.09Å; F176-S204 WeakPolarHBondContact CB-OG 3.21Å; F176-A205 HydrophobicContact CD2-CB 3.96Å; F176-A205 HydrophobicContact CE2-CB 4.04Å; F176-V213 HydrophobicContact CE2-CG1 3.61Å; F176-V213 HydrophobicContact CZ-CG1 3.57Å; F176-F217 AromaticContact CE2-CD2 3.89Å; F176-F217 HydrophobicContact CE2-CD2 3.89Å; F176-F217 AromaticContact CE2-CE2 3.61Å; F176-F217 HydrophobicContact CE2-CE2 3.61Å; F176-F217 HydrophobicContact CE2-CZ 4.46Å; F176-F217 HydrophobicContact CZ-CD2 4.33Å; F176-F217 AromaticContact CZ-CE2 3.61Å; F176-F217 HydrophobicContact CZ-CE2 3.61Å; F176-F217 HydrophobicContact CZ-CZ 4.31Å; F176-I251 HydrophobicContact CB-CD1 3.48Å; F176-I251 VanDerWaalsContact CB-CD1 3.48Å; F176-I251 HydrophobicContact CB-CG1 4.09Å; F176-I251 HydrophobicContact CD1-CD1 3.77Å; F176-I251 HydrophobicContact CD1-CG1 3.74Å; F176-I251 HydrophobicContact CD1-CG2 4.04Å; F176-I251 HydrophobicContact CD2-CD1 3.8Å; F176-I251 HydrophobicContact CE1-CD1 4.47Å; F176-I251 HydrophobicContact CE1-CG1 4.35Å; F176-I251 HydrophobicContact CE1-CG2 3.76Å; F176-I251 HydrophobicContact CE2-CD1 4.49Å; F176-I251 HydrophobicContact CG-CD1 3.39Å; F176-I251 HydrophobicContact CG-CG1 3.9Å; F176-I251 HydrophobicContact CZ-CG2 4.06Å; F176-F252 AromaticContact CE1-CD1 3.94Å; F176-F252 HydrophobicContact CE1-CD1 3.94Å; F176-F252 AromaticContact CE1-CE1 3.49Å; F176-F252 HydrophobicContact CE1-CE1 3.49Å; F176-F252 VanDerWaalsContact CE1-CE1 3.49Å; F176-F252 AromaticContact CE1-CZ 3.93Å; F176-F252 HydrophobicContact CE1-CZ 3.93Å; F176-F252 AromaticContact CZ-CE1 3.76Å; F176-F252 HydrophobicContact CZ-CE1 3.76Å; F176-F252 AromaticContact CZ-CZ 3.78Å; F176-F252 HydrophobicContact CZ-CZ 3.78Å
177	L	98.4	Very high	97.3	Very high	10 Å²	10	47.8 Å²	47.8	5%	0.052	23%	0.233	C	C	.	.	H	α-helix	trans	-63.7	-39.6	179.5	-68.6	174.5	0	0	0	111.9	Y144 P145 Q173 H174 A175 L180 H181 L254	Y144-L177 HydrophobicContact CD1-CD1 4.05Å; Y144-L177 HydrophobicContact CD1-CD2 4.14Å; Y144-L177 HydrophobicContact CE1-CD1 4.2Å; Y144-L177 HydrophobicContact CE1-CD2 4.25Å; P145-L177 HydrophobicContact CG-CB 4.1Å; Q173-L177 HydrophobicContact CG-CD1 4.46Å; Q173-L177 WeakPolarHBondContact O-CG 3.32Å; Q173-L177 PolarHBondContact O-N 3.43Å; H174-L177 PolarHBondContact O-N 2.92Å; A175-L177 VanDerWaalsContact C-N 3.35Å; A175-L177 PolarHBondContact O-N 2.88Å; L177-L180 PolarHBondContact O-N 3.26Å; L177-H181 WeakPolarHBondContact O-CB 3.32Å; L177-H181 PolarHBondContact O-N 3Å; L177-L254 HydrophobicContact CD1-CD2 3.68Å; L177-L254 HydrophobicContact CD1-CG 4.32Å
178	W	98.5	Very high	97.1	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-68.2	-43.3	175.5	-81.8	113.7	0	0	0	112.9	Q138 P145 T149 L154 A159 I162 H174 A175 F176 L180 H181 S182	Q138-W178 VanDerWaalsContact CD-NE1 3.33Å; P145-W178 HydrophobicContact CB-CD2 4.12Å; P145-W178 HydrophobicContact CB-CE3 3.81Å; P145-W178 HydrophobicContact CB-CH2 3.96Å; P145-W178 HydrophobicContact CB-CZ2 4.26Å; P145-W178 HydrophobicContact CB-CZ3 3.73Å; P145-W178 HydrophobicContact CG-CD2 3.88Å; P145-W178 HydrophobicContact CG-CE3 4.06Å; P145-W178 HydrophobicContact CG-CG 4.27Å; P145-W178 HydrophobicContact CG-CZ2 4.42Å; P145-W178 HydrophobicContact CG-CZ3 4.4Å; T149-W178 HydrophobicContact CG2-CH2 3.9Å; T149-W178 HydrophobicContact CG2-CZ3 4.03Å; L154-W178 HydrophobicContact CD1-CH2 4.08Å; L154-W178 HydrophobicContact CD1-CZ3 3.88Å; A159-W178 HydrophobicContact CB-CE3 4.01Å; A159-W178 HydrophobicContact CB-CZ3 4.29Å; I162-W178 HydrophobicContact CB-CD2 3.97Å; I162-W178 HydrophobicContact CB-CE3 4.28Å; I162-W178 HydrophobicContact CB-CG 4.21Å; I162-W178 HydrophobicContact CD1-CD2 4.47Å; I162-W178 HydrophobicContact CD1-CE3 4.2Å; I162-W178 HydrophobicContact CD1-CH2 3.76Å; I162-W178 HydrophobicContact CD1-CZ2 4.04Å; I162-W178 HydrophobicContact CD1-CZ3 3.85Å; I162-W178 HydrophobicContact CG2-CD2 3.71Å; I162-W178 VanDerWaalsContact CG2-CE2 3.44Å; I162-W178 HydrophobicContact CG2-CE3 4.43Å; I162-W178 HydrophobicContact CG2-CG 3.86Å; I162-W178 HydrophobicContact CG2-CZ2 3.98Å; H174-W178 VanDerWaalsContact O-CD1 3.23Å; H174-W178 PolarHBondContact O-N 3.48Å; A175-W178 PolarHBondContact O-N 3.15Å; F176-W178 VanDerWaalsContact C-N 3.35Å; F176-W178 PolarHBondContact O-N 3.29Å; W178-L180 VanDerWaalsContact C-N 3.26Å; W178-L180 PolarHBondContact O-N 2.78Å; W178-H181 WeakPolarHBondContact O-CB 3.49Å; W178-H181 PolarHBondContact O-N 2.94Å; W178-S182 WeakPolarHBondContact O-CB 3.49Å; W178-S182 PolarHBondContact O-N 3.38Å
179	F	98.7	Very high	97	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.5	-35.7	173	-62.8	-48.2	0	0	0	112	Y160 G163 L164 Y167 A175 F176 S182 L183 L197 F200 L201	Y160-F179 AromaticContact CD2-CD1 3.77Å; Y160-F179 HydrophobicContact CD2-CD1 3.77Å; Y160-F179 AromaticContact CD2-CE1 3.69Å; Y160-F179 HydrophobicContact CD2-CE1 3.69Å; Y160-F179 HydrophobicContact CE2-CD1 4.24Å; Y160-F179 AromaticContact CE2-CE1 3.86Å; Y160-F179 HydrophobicContact CE2-CE1 3.86Å; G163-F179 VanDerWaalsContact C-CE1 3.47Å; G163-F179 WeakPolarHBondContact O-CZ 3.27Å; L164-F179 HydrophobicContact CD2-CE1 4.19Å; L164-F179 HydrophobicContact CD2-CZ 4.13Å; L164-F179 HydrophobicContact CG-CE1 4.33Å; Y167-F179 HydrophobicContact CD2-CE2 4.22Å; A175-F179 VanDerWaalsContact C-CD2 3.49Å; A175-F179 HydrophobicContact CB-CD2 4.36Å; A175-F179 HydrophobicContact CB-CE2 3.88Å; A175-F179 WeakPolarHBondContact O-CD2 3.28Å; A175-F179 VanDerWaalsContact O-CG 3.31Å; A175-F179 WeakPolarHBondContact O-CG 3.01Å; A175-F179 PolarHBondContact O-N 3.08Å; F176-F179 PolarHBondContact O-N 3.48Å; F179-S182 PolarHBondContact O-N 2.95Å; F179-L183 WeakPolarHBondContact O-CB 3.26Å; F179-L183 PolarHBondContact O-N 2.86Å; F179-L197 HydrophobicContact CB-CD2 4.16Å; F179-L197 HydrophobicContact CD1-CD2 4.04Å; F179-F200 HydrophobicContact CD1-CB 4.13Å; F179-F200 HydrophobicContact CD2-CB 3.68Å; F179-F200 HydrophobicContact CE1-CB 4.05Å; F179-F200 HydrophobicContact CE1-CD2 4.49Å; F179-F200 HydrophobicContact CE1-CG 4.14Å; F179-F200 HydrophobicContact CE2-CB 3.6Å; F179-F200 HydrophobicContact CE2-CD1 4.04Å; F179-F200 HydrophobicContact CE2-CG 4.05Å; F179-F200 HydrophobicContact CG-CB 3.95Å; F179-F200 HydrophobicContact CZ-CB 3.78Å; F179-F200 AromaticContact CZ-CD1 3.82Å; F179-F200 HydrophobicContact CZ-CD1 3.82Å; F179-F200 AromaticContact CZ-CG 3.8Å; F179-F200 HydrophobicContact CZ-CG 3.8Å; F179-L201 HydrophobicContact CB-CD2 3.81Å; F179-L201 HydrophobicContact CB-CG 3.83Å
180	L	98.5	Very high	97	Very high	36 Å²	36	52.2 Å²	52.2	19%	0.188	26%	0.261	C	S	.	.	H	α-helix	trans	-68.6	-40.4	176.3	-175.8	61.3	0	0	0	111	F176 L177 W178 L183 N184 L201 F217 F252	F176-L180 HydrophobicContact CE1-CD2 4.19Å; F176-L180 WeakPolarHBondContact O-CB 3.49Å; F176-L180 PolarHBondContact O-N 3.35Å; L177-L180 PolarHBondContact O-N 3.26Å; W178-L180 VanDerWaalsContact C-N 3.26Å; W178-L180 PolarHBondContact O-N 2.78Å; L180-L183 PolarHBondContact O-N 2.9Å; L180-N184 VanDerWaalsContact O-CG 3.29Å; L180-N184 PolarHBondContact O-N 3.01Å; L180-N184 PolarHBondContact O-ND2 2.86Å; L180-L201 HydrophobicContact CB-CD2 3.91Å; L180-F217 HydrophobicContact CD1-CZ 4.06Å; L180-F252 HydrophobicContact CD2-CD1 4.39Å; L180-F252 HydrophobicContact CD2-CE1 3.84Å
181	H	98.1	Very high	97	Very high	25 Å²	25	51.5 Å²	51.5	12%	0.116	27%	0.265	C	S	.	.	H	α-helix	trans	-62.5	-44.9	174.3	-170.9	79.5	0	0	0	111.5	P145 L177 W178 N184 R185	P145-H181 HydrophobicContact CB-CB 3.68Å; P145-H181 HydrophobicContact CG-CB 4.08Å; L177-H181 WeakPolarHBondContact O-CB 3.32Å; L177-H181 PolarHBondContact O-N 3Å; W178-H181 WeakPolarHBondContact O-CB 3.49Å; W178-H181 PolarHBondContact O-N 2.94Å; H181-N184 PolarHBondContact O-N 3.1Å; H181-R185 WeakPolarHBondContact NE2-CD 3.37Å; H181-R185 WeakPolarHBondContact O-CG 3.45Å; H181-R185 PolarHBondContact O-N 3.35Å
182	S	98.5	Very high	97	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-59.8	-47	174.8	174.8	0	0	0	0	112	A156 W178 F179 N184 R185 L186 L197	A156-S182 WeakPolarHBondContact O-CB 3.44Å; A156-S182 PolarHBondContact O-OG 2.89Å; W178-S182 WeakPolarHBondContact O-CB 3.49Å; W178-S182 PolarHBondContact O-N 3.38Å; F179-S182 PolarHBondContact O-N 2.95Å; S182-N184 VanDerWaalsContact C-N 3.26Å; S182-N184 PolarHBondContact O-N 2.87Å; S182-R185 CarbonylContact O-C 3.59Å; S182-R185 PolarHBondContact O-N 2.96Å; S182-L186 PolarHBondContact O-N 2.8Å; S182-L197 WeakPolarHBondContact OG-CD2 3.3Å
183	L	98.1	Very high	96.9	Very high	30 Å²	30	51 Å²	51	16%	0.157	27%	0.269	C	S	.	.	H	α-helix	trans	-57.1	-38	177.2	-179.8	64.9	0	0	0	112.9	F179 L180 R185 L186 K194 L197 L198 L201 F217	F179-L183 WeakPolarHBondContact O-CB 3.26Å; F179-L183 PolarHBondContact O-N 2.86Å; L180-L183 PolarHBondContact O-N 2.9Å; L183-R185 PolarHBondContact O-N 3.44Å; L183-L186 HydrophobicContact CD1-CD1 3.74Å; L183-K194 HydrophobicContact CD1-CG 4.04Å; L183-L197 HydrophobicContact CB-CB 4.49Å; L183-L197 HydrophobicContact CB-CD1 4.31Å; L183-L197 HydrophobicContact CD1-CB 4.32Å; L183-L197 HydrophobicContact CD1-CD1 4.39Å; L183-L198 HydrophobicContact CD2-CD2 4.18Å; L183-L201 HydrophobicContact CB-CD1 4.32Å; L183-L201 HydrophobicContact CD2-CD1 3.61Å; L183-F217 HydrophobicContact CD2-CE1 4.32Å
184	N	96.9	Very high	96.8	Very high	123 Å²	123	55.2 Å²	55.2	66%	0.658	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-9.3	178.5	-69	-27.8	0	0	0	113.5	L180 H181 S182	L180-N184 VanDerWaalsContact O-CG 3.29Å; L180-N184 PolarHBondContact O-N 3.01Å; L180-N184 PolarHBondContact O-ND2 2.86Å; H181-N184 PolarHBondContact O-N 3.1Å; S182-N184 VanDerWaalsContact C-N 3.26Å; S182-N184 PolarHBondContact O-N 2.87Å
185	R	96.4	Very high	96.8	Very high	103 Å²	103	57.4 Å²	57.4	39%	0.389	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.9	6.2	-175.7	-64.7	-175.5	63	78.9	-4.2	113.6	L154 A156 H181 S182 L183 T187	L154-R185 PolarHBondContact O-NE 2.78Å; L154-R185 PolarHBondContact O-NH2 3.31Å; A156-R185 HydrophobicContact CB-CB 4.42Å; H181-R185 WeakPolarHBondContact NE2-CD 3.37Å; H181-R185 WeakPolarHBondContact O-CG 3.45Å; H181-R185 PolarHBondContact O-N 3.35Å; S182-R185 CarbonylContact O-C 3.59Å; S182-R185 PolarHBondContact O-N 2.96Å; L183-R185 PolarHBondContact O-N 3.44Å; R185-T187 PolarHBondContact O-N 2.96Å
186	L	96.9	Very high	96.6	Very high	54 Å²	54	59.7 Å²	59.7	28%	0.283	31%	0.312	S	S	.	.			trans	-53.6	136.2	174.4	-81.5	179	0	0	0	111.6	A156 S182 L183 T192 K194 L197	A156-L186 HydrophobicContact CB-CD2 4.08Å; S182-L186 PolarHBondContact O-N 2.8Å; L183-L186 HydrophobicContact CD1-CD1 3.74Å; L186-T192 HydrophobicContact CD2-CG2 3.79Å; L186-T192 WeakPolarHBondContact CD2-O 3.21Å; L186-K194 HydrophobicContact CD1-CB 3.89Å; L186-K194 HydrophobicContact CD1-CG 4.33Å; L186-L197 HydrophobicContact CD1-CD1 3.81Å; L186-L197 HydrophobicContact CD2-CD1 3.7Å; L186-L197 HydrophobicContact CG-CD1 3.76Å
187	T	95.6	Very high	96.6	Very high	85 Å²	85	59.7 Å²	59.7	52%	0.521	31%	0.312	S	S	.	.			trans	-128.2	166.2	172.8	68.7	0	0	0	0	109.7	R185 F189 S190	R185-T187 PolarHBondContact O-N 2.96Å; T187-F189 PolarHBondContact O-N 2.92Å; T187-F189 VanDerWaalsContact O-N 3.1Å; T187-F189 PolarHBondContact OG1-N 2.96Å; T187-S190 PolarHBondContact N-OG 3.22Å; T187-S190 WeakPolarHBondContact O-CB 3.32Å; T187-S190 PolarHBondContact O-N 2.82Å; T187-S190 VanDerWaalsContact O-N 3.08Å; T187-S190 PolarHBondContact O-OG 3.37Å; T187-S190 PolarHBondContact OG1-N 3.05Å; T187-S190 PolarHBondContact OG1-OG 3.49Å
188	D	93.6	Very high	96.6	Very high	169 Å²	169	59.3 Å²	59.3	90%	0.904	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-13.9	176	-63.3	-29.5	0	0	0	113.3
189	F	93.2	Very high	96.5	Very high	196 Å²	196	63.7 Å²	63.7	86%	0.86	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	-1.3	178.3	-54.6	-72.8	0	0	0	113.3	T187	T187-F189 PolarHBondContact O-N 2.92Å; T187-F189 VanDerWaalsContact O-N 3.1Å; T187-F189 PolarHBondContact OG1-N 2.96Å
190	S	95.3	Very high	96.5	Very high	25 Å²	25	64.7 Å²	64.7	18%	0.175	33%	0.33	C	S	.	.			trans	-69.6	140.7	179	-55.8	0	0	0	0	110.6	D157 T187	D157-S190 WeakPolarHBondContact OD2-CA 3.02Å; T187-S190 PolarHBondContact N-OG 3.22Å; T187-S190 WeakPolarHBondContact O-CB 3.32Å; T187-S190 PolarHBondContact O-N 2.82Å; T187-S190 VanDerWaalsContact O-N 3.08Å; T187-S190 PolarHBondContact O-OG 3.37Å; T187-S190 PolarHBondContact OG1-N 3.05Å; T187-S190 PolarHBondContact OG1-OG 3.49Å
191	S	95.4	Very high	96.5	Very high	101 Å²	101	63 Å²	63	71%	0.706	32%	0.321	S	S	*	.	S	Bend	trans	-78.5	-33.2	175.7	75.5	0	0	0	0	112.1	D157	D157-S191 VanDerWaalsContact CG-OG 3.24Å; D157-S191 WeakPolarHBondContact OD1-CA 3.46Å; D157-S191 WeakPolarHBondContact OD1-CB 3.36Å; D157-S191 PolarHBondContact OD1-N 3.17Å; D157-S191 PolarHBondContact OD1-OG 2.91Å; D157-S191 PolarHBondContact OD2-N 3.03Å
192	T	95	Very high	96.5	Very high	8 Å²	8	61.9 Å²	61.9	5%	0.049	32%	0.316	C	S	.	.	S	Bend	trans	-74.6	137.8	175.3	-168.5	0	0	0	0	110.9	A156 D157 Y160 L186 L197	A156-T192 HydrophobicContact CB-CG2 4.15Å; D157-T192 WeakPolarHBondContact OD1-CB 3.43Å; D157-T192 WeakPolarHBondContact OD1-CG2 3.18Å; D157-T192 PolarHBondContact OD1-N 3.35Å; Y160-T192 HydrophobicContact CG-CG2 4.41Å; L186-T192 HydrophobicContact CD2-CG2 3.79Å; L186-T192 WeakPolarHBondContact CD2-O 3.21Å; T192-L197 HydrophobicContact CG2-CD1 4.06Å
193	T	95.9	Very high	96.5	Very high	63 Å²	63	63 Å²	63	39%	0.387	33%	0.325	S	S	.	.			trans	-98.3	154.8	-176	76.4	0	0	0	0	112.1	N195 D196 L197	T193-N195 PolarHBondContact O-N 3.16Å; T193-N195 PolarHBondContact OG1-N 3.36Å; T193-D196 PolarHBondContact O-N 2.92Å; T193-D196 PolarHBondContact OG1-N 3.45Å; T193-D196 PolarHBondContact OG1-OD2 3.21Å; T193-L197 PolarHBondContact O-N 3.11Å
194	K	96.4	Very high	96.5	Very high	111 Å²	111	61.6 Å²	61.6	48%	0.483	32%	0.317	S	S	.	.	H	α-helix	trans	-56.1	-33.4	169.6	-170.7	175.4	-175.1	178.1	0	112.2	L183 L186 L198 L224	L183-K194 HydrophobicContact CD1-CG 4.04Å; L186-K194 HydrophobicContact CD1-CB 3.89Å; L186-K194 HydrophobicContact CD1-CG 4.33Å; K194-L198 HydrophobicContact CG-CD1 3.97Å; K194-L198 HydrophobicContact CG-CG 4.38Å; K194-L198 WeakPolarHBondContact O-CB 3.2Å; K194-L198 WeakPolarHBondContact O-CD1 3.3Å; K194-L198 WeakPolarHBondContact O-CG 3.43Å; K194-L198 PolarHBondContact O-N 3.28Å; K194-L224 HydrophobicContact CD-CD1 3.88Å; K194-L224 HydrophobicContact CG-CD1 4.03Å
195	N	95.6	Very high	96.6	Very high	66 Å²	66	55.8 Å²	55.8	35%	0.353	29%	0.286	S	S	.	.	H	α-helix	trans	-67.5	-45.6	178.2	-76	3.3	0	0	0	111.3	T193 L198 R199 L221	T193-N195 PolarHBondContact O-N 3.16Å; T193-N195 PolarHBondContact OG1-N 3.36Å; N195-L198 PolarHBondContact O-N 2.9Å; N195-R199 WeakPolarHBondContact O-CB 3.47Å; N195-R199 PolarHBondContact O-N 3.35Å; N195-L221 HydrophobicContact CB-CD1 4.02Å
196	D	95.6	Very high	96.6	Very high	49 Å²	49	53.4 Å²	53.4	26%	0.262	28%	0.277	S	S	.	.	H	α-helix	trans	-60.7	-47.9	177.2	-70.5	-53.5	0	0	0	111.7	T193 L198 R199 F200	T193-D196 PolarHBondContact O-N 2.92Å; T193-D196 PolarHBondContact OG1-N 3.45Å; T193-D196 PolarHBondContact OG1-OD2 3.21Å; D196-L198 PolarHBondContact O-N 3.32Å; D196-R199 WeakPolarHBondContact O-CB 3.11Å; D196-R199 PolarHBondContact O-N 2.93Å; D196-R199 IonicContact OD1-CZ 3.58Å; D196-R199 IonicContact OD1-NE 3.35Å; D196-R199 IonicContact OD1-NH2 3.91Å; D196-R199 PolarHBondContact OD1-NH2 2.66Å; D196-R199 VanDerWaalsContact OD1-NH2 3.11Å; D196-F200 VanDerWaalsContact O-CD2 3.28Å; D196-F200 WeakPolarHBondContact O-CD2 3.17Å; D196-F200 PolarHBondContact O-N 3Å
197	L	98.2	Very high	96.6	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62.3	-42	179.3	-74.4	163.5	0	0	0	112.4	Y160 F179 S182 L183 L186 T192 T193 R199 F200 L201	Y160-L197 HydrophobicContact CD2-CD2 3.63Å; Y160-L197 HydrophobicContact CD2-CG 4.34Å; Y160-L197 HydrophobicContact CE2-CD2 4.39Å; Y160-L197 HydrophobicContact CG-CD2 4.45Å; F179-L197 HydrophobicContact CB-CD2 4.16Å; F179-L197 HydrophobicContact CD1-CD2 4.04Å; S182-L197 WeakPolarHBondContact OG-CD2 3.3Å; L183-L197 HydrophobicContact CB-CB 4.49Å; L183-L197 HydrophobicContact CB-CD1 4.31Å; L183-L197 HydrophobicContact CD1-CB 4.32Å; L183-L197 HydrophobicContact CD1-CD1 4.39Å; L186-L197 HydrophobicContact CD1-CD1 3.81Å; L186-L197 HydrophobicContact CD2-CD1 3.7Å; L186-L197 HydrophobicContact CG-CD1 3.76Å; T192-L197 HydrophobicContact CG2-CD1 4.06Å; T193-L197 PolarHBondContact O-N 3.11Å; L197-R199 VanDerWaalsContact C-N 3.34Å; L197-F200 PolarHBondContact O-N 3.29Å; L197-L201 VanDerWaalsContact O-CB 3.24Å; L197-L201 WeakPolarHBondContact O-CB 3.42Å; L197-L201 WeakPolarHBondContact O-CD1 3.42Å; L197-L201 WeakPolarHBondContact O-CG 3.22Å; L197-L201 PolarHBondContact O-N 2.72Å
198	L	98.3	Very high	96.7	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-67	-35.9	176.8	-69.2	171.7	0	0	0	112.5	L183 K194 N195 D196 L201 S202 F217 K220 L221 L224	L183-L198 HydrophobicContact CD2-CD2 4.18Å; K194-L198 HydrophobicContact CG-CD1 3.97Å; K194-L198 HydrophobicContact CG-CG 4.38Å; K194-L198 WeakPolarHBondContact O-CB 3.2Å; K194-L198 WeakPolarHBondContact O-CD1 3.3Å; K194-L198 WeakPolarHBondContact O-CG 3.43Å; K194-L198 PolarHBondContact O-N 3.28Å; N195-L198 PolarHBondContact O-N 2.9Å; D196-L198 PolarHBondContact O-N 3.32Å; L198-L201 HydrophobicContact CD2-CD1 4.5Å; L198-S202 VanDerWaalsContact O-CB 3.32Å; L198-S202 WeakPolarHBondContact O-CB 3.38Å; L198-S202 PolarHBondContact O-N 3.3Å; L198-F217 HydrophobicContact CD2-CD1 3.63Å; L198-F217 HydrophobicContact CD2-CE1 4.31Å; L198-K220 HydrophobicContact CD1-CB 4.2Å; L198-K220 HydrophobicContact CD2-CB 4.02Å; L198-K220 HydrophobicContact CD2-CD 4.22Å; L198-L221 HydrophobicContact CB-CB 4.01Å; L198-L221 HydrophobicContact CB-CD1 4.32Å; L198-L224 HydrophobicContact CD1-CD1 3.24Å; L198-L224 HydrophobicContact CD1-CG 4.5Å
199	R	97.3	Very high	96.7	Very high	93 Å²	93	46.3 Å²	46.3	35%	0.351	23%	0.232	S	C	.	.	H	α-helix	trans	-61.3	-50.9	173.3	178.1	177	59	88.9	-1.9	110.5	N195 D196 L197 S202 S203 L221	N195-R199 WeakPolarHBondContact O-CB 3.47Å; N195-R199 PolarHBondContact O-N 3.35Å; D196-R199 WeakPolarHBondContact O-CB 3.11Å; D196-R199 PolarHBondContact O-N 2.93Å; D196-R199 IonicContact OD1-CZ 3.58Å; D196-R199 IonicContact OD1-NE 3.35Å; D196-R199 IonicContact OD1-NH2 3.91Å; D196-R199 PolarHBondContact OD1-NH2 2.66Å; D196-R199 VanDerWaalsContact OD1-NH2 3.11Å; L197-R199 VanDerWaalsContact C-N 3.34Å; R199-S202 PolarHBondContact O-N 2.94Å; R199-S203 WeakPolarHBondContact O-CB 3.04Å; R199-S203 PolarHBondContact O-N 3.15Å; R199-L221 HydrophobicContact CB-CD2 3.91Å
200	F	98.3	Very high	96.9	Very high	21 Å²	21	37.1 Å²	37.1	9%	0.092	19%	0.192	C	C	.	.	H	α-helix	trans	-67.8	-37.6	179.1	-81.6	-69.6	0	0	0	113.3	Y160 L164 Y167 F179 D196 L197 S202 S203 S204	Y160-F200 AromaticContact CE2-CD2 3.76Å; Y160-F200 HydrophobicContact CE2-CD2 3.76Å; Y160-F200 AromaticContact CE2-CE2 3.94Å; Y160-F200 HydrophobicContact CE2-CE2 3.94Å; Y160-F200 AromaticContact CZ-CE2 4Å; Y160-F200 WeakPolarHBondContact OH-CE2 3.39Å; L164-F200 HydrophobicContact CD2-CD1 4.42Å; L164-F200 HydrophobicContact CD2-CD2 4.42Å; L164-F200 HydrophobicContact CD2-CE1 3.8Å; L164-F200 HydrophobicContact CD2-CE2 3.79Å; L164-F200 HydrophobicContact CD2-CZ 3.44Å; L164-F200 VanDerWaalsContact CD2-CZ 3.44Å; Y167-F200 HydrophobicContact CD1-CE1 4.5Å; Y167-F200 HydrophobicContact CD2-CD1 4.36Å; Y167-F200 HydrophobicContact CE2-CD1 4.44Å; F179-F200 HydrophobicContact CD1-CB 4.13Å; F179-F200 HydrophobicContact CD2-CB 3.68Å; F179-F200 HydrophobicContact CE1-CB 4.05Å; F179-F200 HydrophobicContact CE1-CD2 4.49Å; F179-F200 HydrophobicContact CE1-CG 4.14Å; F179-F200 HydrophobicContact CE2-CB 3.6Å; F179-F200 HydrophobicContact CE2-CD1 4.04Å; F179-F200 HydrophobicContact CE2-CG 4.05Å; F179-F200 HydrophobicContact CG-CB 3.95Å; F179-F200 HydrophobicContact CZ-CB 3.78Å; F179-F200 AromaticContact CZ-CD1 3.82Å; F179-F200 HydrophobicContact CZ-CD1 3.82Å; F179-F200 AromaticContact CZ-CG 3.8Å; F179-F200 HydrophobicContact CZ-CG 3.8Å; D196-F200 VanDerWaalsContact O-CD2 3.28Å; D196-F200 WeakPolarHBondContact O-CD2 3.17Å; D196-F200 PolarHBondContact O-N 3Å; L197-F200 PolarHBondContact O-N 3.29Å; F200-S202 VanDerWaalsContact C-N 3.33Å; F200-S202 PolarHBondContact O-N 3.09Å; F200-S203 PolarHBondContact O-N 3.39Å; F200-S204 VanDerWaalsContact O-CB 3.27Å; F200-S204 WeakPolarHBondContact O-CB 3.27Å; F200-S204 PolarHBondContact O-N 3.36Å; F200-S204 PolarHBondContact O-OG 2.94Å
201	L	98.7	Very high	96.9	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-61.1	-41.5	172.4	-78.1	164.8	0	0	0	112	F176 F179 L180 L183 L197 L198 S204 A205 F217	F176-L201 HydrophobicContact CD2-CB 4.48Å; F176-L201 HydrophobicContact CD2-CD2 3.57Å; F176-L201 WeakPolarHBondContact CD2-O 3.15Å; F176-L201 HydrophobicContact CE2-CB 4.34Å; F176-L201 HydrophobicContact CE2-CD2 3.52Å; F176-L201 HydrophobicContact CG-CD2 4.19Å; F176-L201 HydrophobicContact CZ-CD2 4.12Å; F176-L201 WeakPolarHBondContact O-CD2 3.09Å; F179-L201 HydrophobicContact CB-CD2 3.81Å; F179-L201 HydrophobicContact CB-CG 3.83Å; L180-L201 HydrophobicContact CB-CD2 3.91Å; L183-L201 HydrophobicContact CB-CD1 4.32Å; L183-L201 HydrophobicContact CD2-CD1 3.61Å; L197-L201 VanDerWaalsContact O-CB 3.24Å; L197-L201 WeakPolarHBondContact O-CB 3.42Å; L197-L201 WeakPolarHBondContact O-CD1 3.42Å; L197-L201 WeakPolarHBondContact O-CG 3.22Å; L197-L201 PolarHBondContact O-N 2.72Å; L198-L201 HydrophobicContact CD2-CD1 4.5Å; L201-S204 PolarHBondContact O-OG 2.79Å; L201-A205 WeakPolarHBondContact O-CB 2.95Å; L201-A205 PolarHBondContact O-N 3.05Å; L201-F217 HydrophobicContact CB-CB 4.02Å; L201-F217 HydrophobicContact CB-CD1 3.95Å; L201-F217 HydrophobicContact CB-CD2 4.1Å; L201-F217 HydrophobicContact CB-CE1 4.44Å; L201-F217 HydrophobicContact CB-CG 3.75Å; L201-F217 HydrophobicContact CD1-CD1 3.82Å; L201-F217 HydrophobicContact CD1-CE1 3.71Å; L201-F217 HydrophobicContact CD1-CG 4.47Å; L201-F217 HydrophobicContact CD1-CZ 4.28Å; L201-F217 HydrophobicContact CD2-CZ 4.49Å; L201-F217 HydrophobicContact CG-CD1 4.45Å
202	S	98.3	Very high	97	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.007	16%	0.164	C	C	.	.	H	α-helix	trans	-66.8	-46.5	176	-170.5	0	0	0	0	111.5	L198 R199 F200 Y206 A214 G218	L198-S202 VanDerWaalsContact O-CB 3.32Å; L198-S202 WeakPolarHBondContact O-CB 3.38Å; L198-S202 PolarHBondContact O-N 3.3Å; R199-S202 PolarHBondContact O-N 2.94Å; F200-S202 VanDerWaalsContact C-N 3.33Å; F200-S202 PolarHBondContact O-N 3.09Å; S202-Y206 WeakPolarHBondContact O-CB 3.43Å; S202-Y206 PolarHBondContact O-N 2.99Å; S202-A214 WeakPolarHBondContact O-CB 3.2Å; S202-A214 PolarHBondContact OG-O 3.11Å; S202-G218 WeakPolarHBondContact OG-CA 3.33Å; S202-G218 PolarHBondContact OG-N 3.12Å
203	S	98	Very high	97.1	Very high	25 Å²	25	33.9 Å²	33.9	18%	0.175	17%	0.168	C	C	.	.	H	α-helix	trans	-66.3	-50.7	-178.6	-167.4	0	0	0	0	112.6	Y167 R199 F200 A205 Y206 Q207	Y167-S203 PolarHBondContact OH-OG 2.84Å; R199-S203 WeakPolarHBondContact O-CB 3.04Å; R199-S203 PolarHBondContact O-N 3.15Å; F200-S203 PolarHBondContact O-N 3.39Å; S203-A205 VanDerWaalsContact C-N 3.34Å; S203-A205 PolarHBondContact O-N 3.46Å; S203-Y206 WeakPolarHBondContact O-CB 3.25Å; S203-Y206 PolarHBondContact O-N 2.85Å; S203-Y206 VanDerWaalsContact O-N 3.09Å; S203-Q207 WeakPolarHBondContact O-CG 3.45Å; S203-Q207 PolarHBondContact O-N 3.33Å
204	S	98.2	Very high	97.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60.3	-41.8	178.4	54.3	0	0	0	0	112	F176 F200 L201 Y206 Q207 F208	F176-S204 WeakPolarHBondContact CB-OG 3.21Å; F200-S204 VanDerWaalsContact O-CB 3.27Å; F200-S204 WeakPolarHBondContact O-CB 3.27Å; F200-S204 PolarHBondContact O-N 3.36Å; F200-S204 PolarHBondContact O-OG 2.94Å; L201-S204 PolarHBondContact O-OG 2.79Å; S204-Y206 VanDerWaalsContact C-N 3.32Å; S204-Y206 PolarHBondContact O-N 3.2Å; S204-Q207 PolarHBondContact O-N 2.93Å; S204-F208 WeakPolarHBondContact O-CB 3.26Å; S204-F208 PolarHBondContact O-N 2.87Å
205	A	98.2	Very high	97.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62.8	-37.8	174.3	0	0	0	0	0	112.9	F176 L201 S203 G209 S210 V213 A214 I251	F176-A205 HydrophobicContact CD2-CB 3.96Å; F176-A205 HydrophobicContact CE2-CB 4.04Å; L201-A205 WeakPolarHBondContact O-CB 2.95Å; L201-A205 PolarHBondContact O-N 3.05Å; S203-A205 VanDerWaalsContact C-N 3.34Å; S203-A205 PolarHBondContact O-N 3.46Å; A205-G209 PolarHBondContact O-N 3Å; A205-S210 WeakPolarHBondContact O-CA 3.49Å; A205-S210 PolarHBondContact O-N 3.35Å; A205-V213 HydrophobicContact CB-CB 4.14Å; A205-V213 HydrophobicContact CB-CG1 3.92Å; A205-A214 HydrophobicContact CB-CB 3.93Å; A205-I251 HydrophobicContact CB-CD1 4.04Å
206	Y	97.4	Very high	97.4	Very high	54 Å²	54	29.3 Å²	29.3	21%	0.212	14%	0.137	C	C	.	.	H	α-helix	trans	-66	-47.7	175.2	167.7	-103	0	0	0	111.8	S202 S203 S204 F208 G209 L211 Y238 I241	S202-Y206 WeakPolarHBondContact O-CB 3.43Å; S202-Y206 PolarHBondContact O-N 2.99Å; S203-Y206 WeakPolarHBondContact O-CB 3.25Å; S203-Y206 PolarHBondContact O-N 2.85Å; S203-Y206 VanDerWaalsContact O-N 3.09Å; S204-Y206 VanDerWaalsContact C-N 3.32Å; S204-Y206 PolarHBondContact O-N 3.2Å; Y206-F208 VanDerWaalsContact C-N 3.33Å; Y206-F208 PolarHBondContact O-N 3.19Å; Y206-G209 WeakPolarHBondContact O-CA 3.2Å; Y206-G209 PolarHBondContact O-N 3.46Å; Y206-L211 HydrophobicContact CD2-CD2 3.67Å; Y206-L211 HydrophobicContact CE2-CD2 4.07Å; Y206-Y238 VanDerWaalsContact CB-CZ 3.49Å; Y206-Y238 AromaticContact CD1-CE1 3.71Å; Y206-Y238 HydrophobicContact CD1-CE1 3.71Å; Y206-Y238 AromaticContact CD2-CD1 3.28Å; Y206-Y238 HydrophobicContact CD2-CD1 3.28Å; Y206-Y238 AromaticContact CD2-CE1 3.16Å; Y206-Y238 HydrophobicContact CD2-CE1 3.16Å; Y206-Y238 HydrophobicContact CD2-CG 4.06Å; Y206-Y238 AromaticContact CD2-CZ 3.83Å; Y206-Y238 HydrophobicContact CE1-CE1 4.06Å; Y206-Y238 AromaticContact CE2-CD1 3.54Å; Y206-Y238 HydrophobicContact CE2-CD1 3.54Å; Y206-Y238 AromaticContact CE2-CE1 3.56Å; Y206-Y238 HydrophobicContact CE2-CE1 3.56Å; Y206-Y238 AromaticContact CG-CD1 3.88Å; Y206-Y238 HydrophobicContact CG-CD1 3.88Å; Y206-Y238 AromaticContact CG-CE1 3.24Å; Y206-Y238 HydrophobicContact CG-CE1 3.24Å; Y206-Y238 HydrophobicContact CG-CE2 4.34Å; Y206-Y238 AromaticContact CG-CZ 3.5Å; Y206-Y238 AromaticContact CZ-CE1 3.98Å; Y206-I241 HydrophobicContact CE2-CD1 3.74Å; Y206-I241 WeakPolarHBondContact OH-CD1 3.36Å
207	Q	96.9	Very high	97.5	Very high	95 Å²	95	27.4 Å²	27.4	44%	0.444	13%	0.127	S	C	.	.	H	α-helix	trans	-62.8	-38.8	-179.6	-66.6	-67.2	4.1	0	0	112.1	F172 S203 S204 G209	F172-Q207 HydrophobicContact CB-CB 4.22Å; F172-Q207 HydrophobicContact CD1-CB 3.54Å; F172-Q207 HydrophobicContact CD1-CG 4.06Å; F172-Q207 HydrophobicContact CD2-CB 3.53Å; F172-Q207 HydrophobicContact CE1-CB 3.67Å; F172-Q207 HydrophobicContact CE1-CG 3.8Å; F172-Q207 HydrophobicContact CE2-CB 3.66Å; F172-Q207 HydrophobicContact CE2-CG 4.38Å; F172-Q207 HydrophobicContact CG-CB 3.47Å; F172-Q207 VanDerWaalsContact CG-CB 3.47Å; F172-Q207 HydrophobicContact CG-CG 4.46Å; F172-Q207 HydrophobicContact CZ-CB 3.71Å; F172-Q207 HydrophobicContact CZ-CG 3.95Å; S203-Q207 WeakPolarHBondContact O-CG 3.45Å; S203-Q207 PolarHBondContact O-N 3.33Å; S204-Q207 PolarHBondContact O-N 2.93Å; Q207-G209 PolarHBondContact O-N 3.42Å
208	F	96	Very high	97.5	Very high	58 Å²	58	27.4 Å²	27.4	25%	0.254	13%	0.127	S	C	.	.	H	α-helix	trans	-66.2	-22	171.6	-175.7	-103.4	0	0	0	113.3	F172 Q173 S204 Y206 P249 I251	F172-F208 HydrophobicContact CB-CB 4.02Å; Q173-F208 HydrophobicContact CB-CD2 3.77Å; Q173-F208 HydrophobicContact CB-CE2 3.64Å; Q173-F208 HydrophobicContact CB-CZ 4.33Å; Q173-F208 HydrophobicContact CG-CE2 4.16Å; Q173-F208 HydrophobicContact CG-CZ 4.36Å; S204-F208 WeakPolarHBondContact O-CB 3.26Å; S204-F208 PolarHBondContact O-N 2.87Å; Y206-F208 VanDerWaalsContact C-N 3.33Å; Y206-F208 PolarHBondContact O-N 3.19Å; F208-P249 HydrophobicContact CD1-CB 4.37Å; F208-P249 HydrophobicContact CD1-CG 4.03Å; F208-P249 HydrophobicContact CE1-CB 3.67Å; F208-P249 HydrophobicContact CE1-CG 3.84Å; F208-P249 HydrophobicContact CZ-CB 4.19Å; F208-P249 WeakPolarHBondContact O-CG 3.3Å; F208-I251 HydrophobicContact CB-CD1 3.82Å; F208-I251 HydrophobicContact CB-CG1 4.46Å; F208-I251 HydrophobicContact CD1-CB 3.67Å; F208-I251 HydrophobicContact CD1-CD1 3.9Å; F208-I251 HydrophobicContact CD1-CG1 3.72Å; F208-I251 VanDerWaalsContact CE1-CA 3.48Å; F208-I251 HydrophobicContact CE1-CB 3.82Å; F208-I251 HydrophobicContact CE1-CG1 4.09Å; F208-I251 HydrophobicContact CG-CD1 3.97Å; F208-I251 HydrophobicContact CG-CG1 4.06Å
209	G	95.2	Very high	97.5	Very high	6 Å²	6	30.2 Å²	30.2	6%	0.062	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.6	4.3	-178.8	0	0	0	0	0	115.1	A205 Y206 Q207 L211 P249	A205-G209 PolarHBondContact O-N 3Å; Y206-G209 WeakPolarHBondContact O-CA 3.2Å; Y206-G209 PolarHBondContact O-N 3.46Å; Q207-G209 PolarHBondContact O-N 3.42Å; G209-L211 PolarHBondContact O-N 2.97Å; G209-P249 WeakPolarHBondContact O-CD 3.48Å
210	S	96.4	Very high	97.5	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.014	14%	0.14	C	C	.	.			trans	-82.4	74.9	178.1	-156.7	0	0	0	0	111.9	A205 V213 A214 N248 P249	A205-S210 WeakPolarHBondContact O-CA 3.49Å; A205-S210 PolarHBondContact O-N 3.35Å; S210-V213 PolarHBondContact O-N 2.91Å; S210-V213 WeakPolarHBondContact OG-CG2 3.49Å; S210-A214 PolarHBondContact O-N 3.05Å; S210-N248 WeakPolarHBondContact CA-OD1 3.33Å; S210-P249 WeakPolarHBondContact CB-O 3.49Å; S210-P249 PolarHBondContact OG-O 3.09Å
211	L	96.5	Very high	97.4	Very high	3 Å²	3	29 Å²	29	2%	0.016	14%	0.137	C	C	.	.	H	α-helix	trans	-62.1	-41.4	-170.1	-63.6	171.2	0	0	0	115	Y206 G209 V213 A214 I215 I241 R242 R245 N248	Y206-L211 HydrophobicContact CD2-CD2 3.67Å; Y206-L211 HydrophobicContact CE2-CD2 4.07Å; G209-L211 PolarHBondContact O-N 2.97Å; L211-V213 VanDerWaalsContact C-N 3.29Å; L211-V213 PolarHBondContact O-N 3.08Å; L211-A214 PolarHBondContact O-N 3.45Å; L211-I215 WeakPolarHBondContact O-CB 3.39Å; L211-I215 WeakPolarHBondContact O-CD1 3.43Å; L211-I215 VanDerWaalsContact O-CG1 3.23Å; L211-I215 WeakPolarHBondContact O-CG1 3.1Å; L211-I215 PolarHBondContact O-N 3.39Å; L211-I241 HydrophobicContact CD1-CB 4.5Å; L211-I241 HydrophobicContact CD1-CG2 3.85Å; L211-I241 HydrophobicContact CD2-CG2 4.28Å; L211-R242 HydrophobicContact CB-CB 4.16Å; L211-R242 HydrophobicContact CB-CG 4.32Å; L211-R242 VanDerWaalsContact CD1-CA 3.49Å; L211-R242 HydrophobicContact CD1-CB 3.87Å; L211-R242 HydrophobicContact CD1-CG 4.45Å; L211-R245 HydrophobicContact CD1-CB 4.36Å; L211-N248 PolarHBondContact N-OD1 2.82Å
212	P	96.1	Very high	97.4	Very high	42 Å²	42	30.2 Å²	30.2	27%	0.273	14%	0.144	S	C	.	.	H	α-helix	trans	-61.9	-37.4	175.8	-23.8	36.6	0	0	0	112.7	Y216 N248	P212-Y216 WeakPolarHBondContact O-CB 3.2Å; P212-Y216 PolarHBondContact O-N 3.02Å; P212-N248 VanDerWaalsContact CD-CG 3.44Å; P212-N248 WeakPolarHBondContact CD-ND2 3.48Å; P212-N248 WeakPolarHBondContact CD-OD1 3.33Å
213	V	97.6	Very high	97.3	Very high	22 Å²	22	35.4 Å²	35.4	13%	0.133	17%	0.171	C	C	.	.	H	α-helix	trans	-70.3	-44	177.7	-178.8	0	0	0	0	110.2	F176 A205 S210 L211 I215 Y216 F217 I251 F252	F176-V213 HydrophobicContact CE2-CG1 3.61Å; F176-V213 HydrophobicContact CZ-CG1 3.57Å; A205-V213 HydrophobicContact CB-CB 4.14Å; A205-V213 HydrophobicContact CB-CG1 3.92Å; S210-V213 PolarHBondContact O-N 2.91Å; S210-V213 WeakPolarHBondContact OG-CG2 3.49Å; L211-V213 VanDerWaalsContact C-N 3.29Å; L211-V213 PolarHBondContact O-N 3.08Å; V213-I215 PolarHBondContact O-N 3.23Å; V213-Y216 WeakPolarHBondContact O-CB 3.33Å; V213-Y216 PolarHBondContact O-N 3.25Å; V213-Y216 VanDerWaalsContact O-N 3.16Å; V213-F217 HydrophobicContact CG1-CD2 3.77Å; V213-F217 HydrophobicContact CG1-CE2 3.72Å; V213-F217 WeakPolarHBondContact O-CD2 3.23Å; V213-F217 PolarHBondContact O-N 2.84Å; V213-I251 HydrophobicContact CB-CG2 4.34Å; V213-I251 HydrophobicContact CG1-CG2 4.08Å; V213-I251 HydrophobicContact CG2-CG2 4.12Å; V213-F252 HydrophobicContact CG1-CE2 4.26Å; V213-F252 HydrophobicContact CG1-CZ 4.16Å; V213-F252 HydrophobicContact CG2-CE2 3.75Å; V213-F252 HydrophobicContact CG2-CZ 4.43Å
214	A	98	Very high	97.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-56.5	-48.1	174.6	0	0	0	0	0	112.1	S202 A205 S210 L211 Y216 G218 Y238	S202-A214 WeakPolarHBondContact O-CB 3.2Å; S202-A214 PolarHBondContact OG-O 3.11Å; A205-A214 HydrophobicContact CB-CB 3.93Å; S210-A214 PolarHBondContact O-N 3.05Å; L211-A214 PolarHBondContact O-N 3.45Å; A214-Y216 VanDerWaalsContact C-N 3.34Å; A214-Y216 PolarHBondContact O-N 3.29Å; A214-G218 PolarHBondContact O-N 3.35Å; A214-Y238 HydrophobicContact CB-CD2 3.98Å; A214-Y238 HydrophobicContact CB-CE2 4.02Å
215	I	97.7	Very high	96.9	Very high	19 Å²	19	40.3 Å²	40.3	10%	0.097	20%	0.195	C	C	.	.	H	α-helix	trans	-63.1	-40	177.1	-68.8	165.3	0	0	0	111	L211 V213 G218 Q219 L235 Y238 R239 R242	L211-I215 WeakPolarHBondContact O-CB 3.39Å; L211-I215 WeakPolarHBondContact O-CD1 3.43Å; L211-I215 VanDerWaalsContact O-CG1 3.23Å; L211-I215 WeakPolarHBondContact O-CG1 3.1Å; L211-I215 PolarHBondContact O-N 3.39Å; V213-I215 PolarHBondContact O-N 3.23Å; I215-G218 PolarHBondContact O-N 2.74Å; I215-Q219 VanDerWaalsContact O-CB 3.29Å; I215-Q219 WeakPolarHBondContact O-CB 3.46Å; I215-Q219 PolarHBondContact O-N 2.62Å; I215-L235 HydrophobicContact CB-CD2 4.39Å; I215-L235 HydrophobicContact CG2-CD2 4.23Å; I215-Y238 HydrophobicContact CG1-CD2 4.42Å; I215-R239 HydrophobicContact CD1-CG 4.01Å; I215-R242 HydrophobicContact CD1-CB 4.43Å
216	Y	97.9	Very high	96.8	Very high	124 Å²	124	44.3 Å²	44.3	49%	0.486	22%	0.221	S	C	.	.	H	α-helix	trans	-61.4	-51.1	179.5	172.7	-97.6	0	0	0	112.1	P212 V213 A214 Q219 K220	P212-Y216 WeakPolarHBondContact O-CB 3.2Å; P212-Y216 PolarHBondContact O-N 3.02Å; V213-Y216 WeakPolarHBondContact O-CB 3.33Å; V213-Y216 PolarHBondContact O-N 3.25Å; V213-Y216 VanDerWaalsContact O-N 3.16Å; A214-Y216 VanDerWaalsContact C-N 3.34Å; A214-Y216 PolarHBondContact O-N 3.29Å; Y216-Q219 PolarHBondContact O-N 2.83Å; Y216-K220 HydrophobicContact CE1-CD 3.96Å; Y216-K220 PolarHBondContact O-N 3.4Å; Y216-K220 WeakPolarHBondContact OH-CE 3.34Å; Y216-K220 PolarHBondContact OH-NZ 3.45Å
217	F	98.2	Very high	96.6	Very high	9 Å²	9	46 Å²	46	4%	0.039	24%	0.241	C	C	.	.	H	α-helix	trans	-69.5	-36.1	178.6	-75.4	-72	0	0	0	112.2	F176 L180 L183 L198 L201 V213 Q219 K220 L221	F176-F217 AromaticContact CE2-CD2 3.89Å; F176-F217 HydrophobicContact CE2-CD2 3.89Å; F176-F217 AromaticContact CE2-CE2 3.61Å; F176-F217 HydrophobicContact CE2-CE2 3.61Å; F176-F217 HydrophobicContact CE2-CZ 4.46Å; F176-F217 HydrophobicContact CZ-CD2 4.33Å; F176-F217 AromaticContact CZ-CE2 3.61Å; F176-F217 HydrophobicContact CZ-CE2 3.61Å; F176-F217 HydrophobicContact CZ-CZ 4.31Å; L180-F217 HydrophobicContact CD1-CZ 4.06Å; L183-F217 HydrophobicContact CD2-CE1 4.32Å; L198-F217 HydrophobicContact CD2-CD1 3.63Å; L198-F217 HydrophobicContact CD2-CE1 4.31Å; L201-F217 HydrophobicContact CB-CB 4.02Å; L201-F217 HydrophobicContact CB-CD1 3.95Å; L201-F217 HydrophobicContact CB-CD2 4.1Å; L201-F217 HydrophobicContact CB-CE1 4.44Å; L201-F217 HydrophobicContact CB-CG 3.75Å; L201-F217 HydrophobicContact CD1-CD1 3.82Å; L201-F217 HydrophobicContact CD1-CE1 3.71Å; L201-F217 HydrophobicContact CD1-CG 4.47Å; L201-F217 HydrophobicContact CD1-CZ 4.28Å; L201-F217 HydrophobicContact CD2-CZ 4.49Å; L201-F217 HydrophobicContact CG-CD1 4.45Å; V213-F217 HydrophobicContact CG1-CD2 3.77Å; V213-F217 HydrophobicContact CG1-CE2 3.72Å; V213-F217 WeakPolarHBondContact O-CD2 3.23Å; V213-F217 PolarHBondContact O-N 2.84Å; F217-Q219 VanDerWaalsContact C-N 3.33Å; F217-Q219 PolarHBondContact O-N 3.3Å; F217-K220 HydrophobicContact CD1-CD 4.42Å; F217-K220 WeakPolarHBondContact O-CB 3.45Å; F217-K220 PolarHBondContact O-N 3.24Å; F217-L221 PolarHBondContact O-N 3.13Å
218	G	97.8	Very high	96.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.8	-38	173.6	0	0	0	0	0	112.5	S202 A214 I215 L221 L222 I231	S202-G218 WeakPolarHBondContact OG-CA 3.33Å; S202-G218 PolarHBondContact OG-N 3.12Å; A214-G218 PolarHBondContact O-N 3.35Å; I215-G218 PolarHBondContact O-N 2.74Å; G218-L221 WeakPolarHBondContact O-CB 3.29Å; G218-L221 PolarHBondContact O-N 2.9Å; G218-L222 PolarHBondContact O-N 3.49Å; G218-I231 WeakPolarHBondContact O-CG1 3.49Å
219	Q	98	Very high	96.3	Very high	61 Å²	61	46.3 Å²	46.3	29%	0.285	24%	0.244	S	C	.	.	H	α-helix	trans	-67.8	-37.1	174.1	-173.1	64.6	52.8	0	0	111.6	I215 Y216 F217 L221 L222 N223	I215-Q219 VanDerWaalsContact O-CB 3.29Å; I215-Q219 WeakPolarHBondContact O-CB 3.46Å; I215-Q219 PolarHBondContact O-N 2.62Å; Y216-Q219 PolarHBondContact O-N 2.83Å; F217-Q219 VanDerWaalsContact C-N 3.33Å; F217-Q219 PolarHBondContact O-N 3.3Å; Q219-L221 VanDerWaalsContact C-N 3.32Å; Q219-L222 PolarHBondContact O-N 3.37Å; Q219-N223 PolarHBondContact NE2-OD1 2.87Å; Q219-N223 WeakPolarHBondContact O-CB 3.49Å; Q219-N223 PolarHBondContact O-N 2.68Å; Q219-N223 PolarHBondContact O-ND2 2.95Å; Q219-N223 PolarHBondContact O-OD1 2.93Å
220	K	97.8	Very high	96.3	Very high	81 Å²	81	51.8 Å²	51.8	35%	0.352	27%	0.269	S	S	.	.	H	α-helix	trans	-60.8	-42.3	171.9	-79.9	-171	170.5	176.7	0	111.9	L198 Y216 F217 N223 L224	L198-K220 HydrophobicContact CD1-CB 4.2Å; L198-K220 HydrophobicContact CD2-CB 4.02Å; L198-K220 HydrophobicContact CD2-CD 4.22Å; Y216-K220 HydrophobicContact CE1-CD 3.96Å; Y216-K220 PolarHBondContact O-N 3.4Å; Y216-K220 WeakPolarHBondContact OH-CE 3.34Å; Y216-K220 PolarHBondContact OH-NZ 3.45Å; F217-K220 HydrophobicContact CD1-CD 4.42Å; F217-K220 WeakPolarHBondContact O-CB 3.45Å; F217-K220 PolarHBondContact O-N 3.24Å; K220-N223 PolarHBondContact O-N 2.95Å; K220-L224 WeakPolarHBondContact O-CG 3.19Å; K220-L224 PolarHBondContact O-N 3.24Å
221	L	97.4	Very high	96.2	Very high	6 Å²	6	51.8 Å²	51.8	3%	0.031	27%	0.268	C	S	.	.	H	α-helix	trans	-62.5	-48.8	175.6	179.6	58.8	0	0	0	111.3	N195 L198 R199 F217 G218 Q219 N223 L224 D225 I231	N195-L221 HydrophobicContact CB-CD1 4.02Å; L198-L221 HydrophobicContact CB-CB 4.01Å; L198-L221 HydrophobicContact CB-CD1 4.32Å; R199-L221 HydrophobicContact CB-CD2 3.91Å; F217-L221 PolarHBondContact O-N 3.13Å; G218-L221 WeakPolarHBondContact O-CB 3.29Å; G218-L221 PolarHBondContact O-N 2.9Å; Q219-L221 VanDerWaalsContact C-N 3.32Å; L221-N223 VanDerWaalsContact C-N 3.25Å; L221-N223 PolarHBondContact O-N 2.72Å; L221-L224 WeakPolarHBondContact O-CB 3.18Å; L221-L224 PolarHBondContact O-N 2.86Å; L221-D225 PolarHBondContact O-N 3.15Å; L221-I231 HydrophobicContact CB-CG1 4.39Å; L221-I231 HydrophobicContact CD2-CB 4.4Å; L221-I231 HydrophobicContact CD2-CD1 4.08Å; L221-I231 HydrophobicContact CD2-CG1 4.06Å; L221-I231 HydrophobicContact CG-CG1 4.34Å
222	L	97	Very high	96.2	Very high	27 Å²	27	55.3 Å²	55.3	14%	0.141	28%	0.284	C	S	.	.	H	α-helix	trans	-61.1	-32.4	177	179.7	61.4	0	0	0	112.9	G218 Q219 L224 D225 P226 I231 K232 L235	G218-L222 PolarHBondContact O-N 3.49Å; Q219-L222 PolarHBondContact O-N 3.37Å; L222-L224 VanDerWaalsContact C-N 3.32Å; L222-D225 CarbonylContact O-C 3.14Å; L222-P226 VanDerWaalsContact O-CA 3.22Å; L222-P226 WeakPolarHBondContact O-CA 3.15Å; L222-I231 HydrophobicContact CB-CG2 3.95Å; L222-I231 HydrophobicContact CD1-CG2 3.83Å; L222-I231 HydrophobicContact CG-CG2 4.43Å; L222-K232 HydrophobicContact CD1-CD 4.36Å; L222-K232 HydrophobicContact CD1-CG 3.68Å; L222-K232 HydrophobicContact CD2-CG 4.17Å; L222-L235 HydrophobicContact CB-CD1 4.2Å; L222-L235 HydrophobicContact CD2-CD1 3.88Å
223	N	96.7	Very high	96.2	Very high	109 Å²	109	58.4 Å²	58.4	58%	0.583	30%	0.301	S	S	*	.	H	α-helix	trans	-71	-28.8	175.7	-69.4	-7.5	0	0	0	112.5	Q219 K220 L221	Q219-N223 PolarHBondContact NE2-OD1 2.87Å; Q219-N223 WeakPolarHBondContact O-CB 3.49Å; Q219-N223 PolarHBondContact O-N 2.68Å; Q219-N223 PolarHBondContact O-ND2 2.95Å; Q219-N223 PolarHBondContact O-OD1 2.93Å; K220-N223 PolarHBondContact O-N 2.95Å; L221-N223 VanDerWaalsContact C-N 3.25Å; L221-N223 PolarHBondContact O-N 2.72Å
224	L	94.8	Very high	96.1	Very high	83 Å²	83	59.9 Å²	59.9	44%	0.435	31%	0.307	S	S	.	.	H	α-helix	trans	-79.9	-37.2	175.3	-71.4	169.7	0	0	0	111.9	K194 L198 K220 L221 L222	K194-L224 HydrophobicContact CD-CD1 3.88Å; K194-L224 HydrophobicContact CG-CD1 4.03Å; L198-L224 HydrophobicContact CD1-CD1 3.24Å; L198-L224 HydrophobicContact CD1-CG 4.5Å; K220-L224 WeakPolarHBondContact O-CG 3.19Å; K220-L224 PolarHBondContact O-N 3.24Å; L221-L224 WeakPolarHBondContact O-CB 3.18Å; L221-L224 PolarHBondContact O-N 2.86Å; L222-L224 VanDerWaalsContact C-N 3.32Å
225	D	93.8	Very high	96.1	Very high	45 Å²	45	60 Å²	60	24%	0.241	31%	0.307	C	S	.	.			trans	-129.7	85.8	174.4	-177.4	4.6	0	0	0	111.2	L221 L222 S227 N228	L221-D225 PolarHBondContact O-N 3.15Å; L222-D225 CarbonylContact O-C 3.14Å; D225-S227 PolarHBondContact O-N 2.87Å; D225-S227 VanDerWaalsContact O-N 3.15Å; D225-S227 WeakPolarHBondContact OD1-CB 3.24Å; D225-S227 PolarHBondContact OD1-N 3.22Å; D225-S227 PolarHBondContact OD1-OG 2.87Å; D225-N228 HydrophobicContact CB-CB 4.23Å; D225-N228 WeakPolarHBondContact O-CB 3.16Å; D225-N228 PolarHBondContact O-N 3.4Å; D225-N228 PolarHBondContact OD1-N 3.44Å
226	P	95.1	Very high	96	Very high	84 Å²	84	60.4 Å²	60.4	55%	0.545	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-14.5	177.6	-24.3	35.4	0	0	0	114.5	L222 K232	L222-P226 VanDerWaalsContact O-CA 3.22Å; L222-P226 WeakPolarHBondContact O-CA 3.15Å; P226-K232 WeakPolarHBondContact O-CE 3.44Å; P226-K232 PolarHBondContact O-NZ 3.31Å
227	S	94.3	Very high	95.9	Very high	90 Å²	90	58.7 Å²	58.7	63%	0.629	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-12.3	180	75.3	0	0	0	0	113.2	D225 E229	D225-S227 PolarHBondContact O-N 2.87Å; D225-S227 VanDerWaalsContact O-N 3.15Å; D225-S227 WeakPolarHBondContact OD1-CB 3.24Å; D225-S227 PolarHBondContact OD1-N 3.22Å; D225-S227 PolarHBondContact OD1-OG 2.87Å; S227-E229 PolarHBondContact O-N 2.85Å
228	N	92.9	Very high	95.8	Very high	41 Å²	41	58.7 Å²	58.7	22%	0.219	32%	0.315	C	S	.	.			trans	-67.9	102.6	179.1	-169.3	-42.3	0	0	0	110.9	D225 E230 I231 K232	D225-N228 HydrophobicContact CB-CB 4.23Å; D225-N228 WeakPolarHBondContact O-CB 3.16Å; D225-N228 PolarHBondContact O-N 3.4Å; D225-N228 PolarHBondContact OD1-N 3.44Å; N228-E230 WeakPolarHBondContact OD1-CB 3.38Å; N228-E230 PolarHBondContact OD1-N 3.34Å; N228-I231 HydrophobicContact CB-CG2 3.67Å; N228-I231 VanDerWaalsContact O-CG2 3.32Å; N228-I231 WeakPolarHBondContact O-CG2 3.35Å; N228-I231 PolarHBondContact OD1-N 3.28Å; N228-K232 WeakPolarHBondContact O-CG 3.41Å
229	E	94.1	Very high	95.7	Very high	118 Å²	118	64.4 Å²	64.4	55%	0.551	34%	0.337	S	S	*	.	H	α-helix	trans	-73.3	-31.2	178.3	-70.9	-57.4	138	0	0	112.6	S227 I231 K232 V233	S227-E229 PolarHBondContact O-N 2.85Å; E229-I231 PolarHBondContact O-N 3Å; E229-K232 WeakPolarHBondContact O-CB 3.19Å; E229-K232 PolarHBondContact O-N 3.14Å; E229-K232 IonicContact OE1-NZ 2.69Å; E229-K232 PolarHBondContact OE1-NZ 3.27Å; E229-V233 WeakPolarHBondContact O-CG2 3.4Å; E229-V233 PolarHBondContact O-N 3.37Å; E229-V233 VanDerWaalsContact O-N 3.1Å
230	E	93.7	Very high	95.6	Very high	122 Å²	122	66.4 Å²	66.4	57%	0.57	35%	0.349	S	S	*	.	H	α-helix	trans	-60.1	-47.9	179.9	-171.9	-172.9	162.3	0	0	111.2	N228 K232 V233 Q234	N228-E230 WeakPolarHBondContact OD1-CB 3.38Å; N228-E230 PolarHBondContact OD1-N 3.34Å; E230-K232 VanDerWaalsContact C-N 3.3Å; E230-K232 PolarHBondContact O-N 2.8Å; E230-V233 PolarHBondContact O-N 3.16Å; E230-Q234 WeakPolarHBondContact O-CG 3.37Å; E230-Q234 PolarHBondContact O-N 3.34Å; E230-Q234 PolarHBondContact OE1-NE2 3.03Å
231	I	95.5	Very high	95.4	Very high	1 Å²	1	63.7 Å²	63.7	1%	0.005	34%	0.338	C	S	.	.	H	α-helix	trans	-67.5	-30.9	179.3	-167.9	57.9	0	0	0	112.1	G218 L221 L222 N228 E229 Q234 L235	G218-I231 WeakPolarHBondContact O-CG1 3.49Å; L221-I231 HydrophobicContact CB-CG1 4.39Å; L221-I231 HydrophobicContact CD2-CB 4.4Å; L221-I231 HydrophobicContact CD2-CD1 4.08Å; L221-I231 HydrophobicContact CD2-CG1 4.06Å; L221-I231 HydrophobicContact CG-CG1 4.34Å; L222-I231 HydrophobicContact CB-CG2 3.95Å; L222-I231 HydrophobicContact CD1-CG2 3.83Å; L222-I231 HydrophobicContact CG-CG2 4.43Å; N228-I231 HydrophobicContact CB-CG2 3.67Å; N228-I231 VanDerWaalsContact O-CG2 3.32Å; N228-I231 WeakPolarHBondContact O-CG2 3.35Å; N228-I231 PolarHBondContact OD1-N 3.28Å; E229-I231 PolarHBondContact O-N 3Å; I231-Q234 HydrophobicContact CD1-CB 4.36Å; I231-Q234 PolarHBondContact O-N 2.92Å; I231-L235 HydrophobicContact CD1-CG 4.34Å; I231-L235 HydrophobicContact CG1-CD1 4.2Å; I231-L235 HydrophobicContact CG1-CG 4.26Å; I231-L235 VanDerWaalsContact O-CB 3.3Å; I231-L235 WeakPolarHBondContact O-CB 3.47Å; I231-L235 VanDerWaalsContact O-CG 3.26Å; I231-L235 WeakPolarHBondContact O-CG 3.33Å; I231-L235 PolarHBondContact O-N 3.42Å
232	K	96	Very high	95.2	Very high	78 Å²	78	69.7 Å²	69.7	34%	0.339	36%	0.36	S	S	.	.	H	α-helix	trans	-63.2	-44.6	174.3	-68.5	174.8	-167.3	166.6	0	110.8	L222 P226 N228 E229 E230 G236	L222-K232 HydrophobicContact CD1-CD 4.36Å; L222-K232 HydrophobicContact CD1-CG 3.68Å; L222-K232 HydrophobicContact CD2-CG 4.17Å; P226-K232 WeakPolarHBondContact O-CE 3.44Å; P226-K232 PolarHBondContact O-NZ 3.31Å; N228-K232 WeakPolarHBondContact O-CG 3.41Å; E229-K232 WeakPolarHBondContact O-CB 3.19Å; E229-K232 PolarHBondContact O-N 3.14Å; E229-K232 IonicContact OE1-NZ 2.69Å; E229-K232 PolarHBondContact OE1-NZ 3.27Å; E230-K232 VanDerWaalsContact C-N 3.3Å; E230-K232 PolarHBondContact O-N 2.8Å; K232-G236 PolarHBondContact O-N 3.32Å
233	V	96	Very high	95	Very high	106 Å²	106	75.7 Å²	75.7	64%	0.642	39%	0.392	S	S	*	.	H	α-helix	trans	-63.6	-48.3	176.8	175.2	0	0	0	0	110.5	E229 E230 L235 G236 L237	E229-V233 WeakPolarHBondContact O-CG2 3.4Å; E229-V233 PolarHBondContact O-N 3.37Å; E229-V233 VanDerWaalsContact O-N 3.1Å; E230-V233 PolarHBondContact O-N 3.16Å; V233-L235 PolarHBondContact O-N 2.96Å; V233-G236 PolarHBondContact O-N 3Å; V233-L237 PolarHBondContact O-N 3.01Å
234	Q	96.1	Very high	94.7	Very high	54 Å²	54	78.1 Å²	78.1	25%	0.252	40%	0.4	S	S	.	.	H	α-helix	trans	-58.9	-46.5	177.7	-72.7	174	-7.5	0	0	112.2	E230 I231 G236 L237 Y238	E230-Q234 WeakPolarHBondContact O-CG 3.37Å; E230-Q234 PolarHBondContact O-N 3.34Å; E230-Q234 PolarHBondContact OE1-NE2 3.03Å; I231-Q234 HydrophobicContact CD1-CB 4.36Å; I231-Q234 PolarHBondContact O-N 2.92Å; Q234-G236 VanDerWaalsContact C-N 3.31Å; Q234-G236 PolarHBondContact O-N 2.96Å; Q234-L237 WeakPolarHBondContact O-CB 2.96Å; Q234-L237 PolarHBondContact O-N 2.87Å; Q234-L237 VanDerWaalsContact O-N 3.16Å; Q234-Y238 VanDerWaalsContact O-CD1 3.32Å; Q234-Y238 WeakPolarHBondContact O-CD1 3.46Å; Q234-Y238 VanDerWaalsContact O-CG 3.27Å; Q234-Y238 PolarHBondContact O-N 3.05Å
235	L	97.3	Very high	94.4	Very high	1 Å²	1	81.1 Å²	81.1	1%	0.005	41%	0.405	C	S	.	.	H	α-helix	trans	-62.6	-37.9	176.7	-76.5	174.9	0	0	0	112.4	I215 L222 I231 V233 Y238 R239	I215-L235 HydrophobicContact CB-CD2 4.39Å; I215-L235 HydrophobicContact CG2-CD2 4.23Å; L222-L235 HydrophobicContact CB-CD1 4.2Å; L222-L235 HydrophobicContact CD2-CD1 3.88Å; I231-L235 HydrophobicContact CD1-CG 4.34Å; I231-L235 HydrophobicContact CG1-CD1 4.2Å; I231-L235 HydrophobicContact CG1-CG 4.26Å; I231-L235 VanDerWaalsContact O-CB 3.3Å; I231-L235 WeakPolarHBondContact O-CB 3.47Å; I231-L235 VanDerWaalsContact O-CG 3.26Å; I231-L235 WeakPolarHBondContact O-CG 3.33Å; I231-L235 PolarHBondContact O-N 3.42Å; V233-L235 PolarHBondContact O-N 2.96Å; L235-Y238 PolarHBondContact O-N 3.35Å; L235-R239 WeakPolarHBondContact O-CB 3.21Å; L235-R239 WeakPolarHBondContact O-CD 3.5Å; L235-R239 WeakPolarHBondContact O-CG 3.37Å; L235-R239 PolarHBondContact O-N 3.12Å
236	G	95.9	Very high	93.9	Very high	29 Å²	29	86.2 Å²	86.2	30%	0.299	44%	0.438	S	S	.	.	H	α-helix	trans	-57.7	-48.7	171.9	0	0	0	0	0	111.5	K232 V233 Q234 R239 L240	K232-G236 PolarHBondContact O-N 3.32Å; V233-G236 PolarHBondContact O-N 3Å; Q234-G236 VanDerWaalsContact C-N 3.31Å; Q234-G236 PolarHBondContact O-N 2.96Å; G236-R239 PolarHBondContact O-N 3.22Å; G236-L240 WeakPolarHBondContact O-CG 3.24Å; G236-L240 PolarHBondContact O-N 2.98Å; G236-L240 VanDerWaalsContact O-N 3.08Å
237	L	95.7	Very high	93.6	Very high	87 Å²	87	86.2 Å²	86.2	46%	0.455	44%	0.44	S	S	.	.	H	α-helix	trans	-61.9	-47.5	176.7	-178	64.6	0	0	0	112.2	V233 Q234 R239 L240 I241	V233-L237 PolarHBondContact O-N 3.01Å; Q234-L237 WeakPolarHBondContact O-CB 2.96Å; Q234-L237 PolarHBondContact O-N 2.87Å; Q234-L237 VanDerWaalsContact O-N 3.16Å; L237-R239 VanDerWaalsContact C-N 3.3Å; L237-R239 PolarHBondContact O-N 3.36Å; L237-L240 WeakPolarHBondContact O-CB 3.49Å; L237-L240 PolarHBondContact O-N 2.97Å; L237-L240 VanDerWaalsContact O-N 3.16Å; L237-I241 HydrophobicContact CD1-CD1 3.91Å; L237-I241 HydrophobicContact CD1-CG1 4.24Å; L237-I241 HydrophobicContact CD2-CD1 4.39Å; L237-I241 HydrophobicContact CG-CD1 3.76Å; L237-I241 HydrophobicContact CG-CG1 4.43Å; L237-I241 WeakPolarHBondContact O-CG1 3.46Å; L237-I241 PolarHBondContact O-N 3.38Å
238	Y	96.7	Very high	93.4	Very high	9 Å²	9	85.8 Å²	85.8	4%	0.035	43%	0.431	C	S	.	.	H	α-helix	trans	-60.7	-39.7	179.7	-65.6	-5.7	0	0	0	111.9	Y206 A214 I215 Q234 L235 R242	Y206-Y238 VanDerWaalsContact CB-CZ 3.49Å; Y206-Y238 AromaticContact CD1-CE1 3.71Å; Y206-Y238 HydrophobicContact CD1-CE1 3.71Å; Y206-Y238 AromaticContact CD2-CD1 3.28Å; Y206-Y238 HydrophobicContact CD2-CD1 3.28Å; Y206-Y238 AromaticContact CD2-CE1 3.16Å; Y206-Y238 HydrophobicContact CD2-CE1 3.16Å; Y206-Y238 HydrophobicContact CD2-CG 4.06Å; Y206-Y238 AromaticContact CD2-CZ 3.83Å; Y206-Y238 HydrophobicContact CE1-CE1 4.06Å; Y206-Y238 AromaticContact CE2-CD1 3.54Å; Y206-Y238 HydrophobicContact CE2-CD1 3.54Å; Y206-Y238 AromaticContact CE2-CE1 3.56Å; Y206-Y238 HydrophobicContact CE2-CE1 3.56Å; Y206-Y238 AromaticContact CG-CD1 3.88Å; Y206-Y238 HydrophobicContact CG-CD1 3.88Å; Y206-Y238 AromaticContact CG-CE1 3.24Å; Y206-Y238 HydrophobicContact CG-CE1 3.24Å; Y206-Y238 HydrophobicContact CG-CE2 4.34Å; Y206-Y238 AromaticContact CG-CZ 3.5Å; Y206-Y238 AromaticContact CZ-CE1 3.98Å; A214-Y238 HydrophobicContact CB-CD2 3.98Å; A214-Y238 HydrophobicContact CB-CE2 4.02Å; I215-Y238 HydrophobicContact CG1-CD2 4.42Å; Q234-Y238 VanDerWaalsContact O-CD1 3.32Å; Q234-Y238 WeakPolarHBondContact O-CD1 3.46Å; Q234-Y238 VanDerWaalsContact O-CG 3.27Å; Q234-Y238 PolarHBondContact O-N 3.05Å; L235-Y238 PolarHBondContact O-N 3.35Å; Y238-R242 VanDerWaalsContact O-CB 3.24Å; Y238-R242 WeakPolarHBondContact O-CB 3.46Å; Y238-R242 PolarHBondContact O-N 3.12Å
239	R	95.9	Very high	93.4	Very high	120 Å²	120	86 Å²	86	45%	0.453	44%	0.435	S	S	.	.	H	α-helix	trans	-65.5	-41.3	176.1	-71.9	167.2	-173.6	166.6	3.3	111.7	I215 L235 G236 L237 R242 L243	I215-R239 HydrophobicContact CD1-CG 4.01Å; L235-R239 WeakPolarHBondContact O-CB 3.21Å; L235-R239 WeakPolarHBondContact O-CD 3.5Å; L235-R239 WeakPolarHBondContact O-CG 3.37Å; L235-R239 PolarHBondContact O-N 3.12Å; G236-R239 PolarHBondContact O-N 3.22Å; L237-R239 VanDerWaalsContact C-N 3.3Å; L237-R239 PolarHBondContact O-N 3.36Å; R239-R242 PolarHBondContact O-N 3.47Å; R239-L243 WeakPolarHBondContact O-CG 3.5Å; R239-L243 PolarHBondContact O-N 2.81Å
240	L	95	Very high	93.4	Very high	104 Å²	104	84.2 Å²	84.2	55%	0.545	43%	0.429	S	S	.	.	H	α-helix	trans	-63.5	-48.6	175.4	-72.7	167.3	0	0	0	111.7	G236 L237 R242 L243 Q244	G236-L240 WeakPolarHBondContact O-CG 3.24Å; G236-L240 PolarHBondContact O-N 2.98Å; G236-L240 VanDerWaalsContact O-N 3.08Å; L237-L240 WeakPolarHBondContact O-CB 3.49Å; L237-L240 PolarHBondContact O-N 2.97Å; L237-L240 VanDerWaalsContact O-N 3.16Å; L240-R242 VanDerWaalsContact C-N 3.27Å; L240-R242 PolarHBondContact O-N 3.22Å; L240-L243 WeakPolarHBondContact O-CB 3.25Å; L240-L243 PolarHBondContact O-N 3.42Å; L240-L243 VanDerWaalsContact O-N 3.11Å; L240-Q244 PolarHBondContact O-N 3.45Å
241	I	94.3	Very high	93.5	Very high	24 Å²	24	78.4 Å²	78.4	12%	0.123	40%	0.401	C	S	.	.	H	α-helix	trans	-62.3	-37.5	178.7	-66	170.5	0	0	0	110.7	Y206 L211 L237 L243 Q244 R245	Y206-I241 HydrophobicContact CE2-CD1 3.74Å; Y206-I241 WeakPolarHBondContact OH-CD1 3.36Å; L211-I241 HydrophobicContact CD1-CB 4.5Å; L211-I241 HydrophobicContact CD1-CG2 3.85Å; L211-I241 HydrophobicContact CD2-CG2 4.28Å; L237-I241 HydrophobicContact CD1-CD1 3.91Å; L237-I241 HydrophobicContact CD1-CG1 4.24Å; L237-I241 HydrophobicContact CD2-CD1 4.39Å; L237-I241 HydrophobicContact CG-CD1 3.76Å; L237-I241 HydrophobicContact CG-CG1 4.43Å; L237-I241 WeakPolarHBondContact O-CG1 3.46Å; L237-I241 PolarHBondContact O-N 3.38Å; I241-L243 PolarHBondContact O-N 2.95Å; I241-Q244 PolarHBondContact O-N 2.94Å; I241-R245 HydrophobicContact CG2-CG 4.11Å; I241-R245 PolarHBondContact O-N 2.99Å
242	R	92.7	Very high	93.5	Very high	132 Å²	132	82.3 Å²	82.3	50%	0.498	42%	0.419	S	S	.	.	H	α-helix	trans	-62.5	-30.1	176.6	-177.2	178.6	171.6	-163.8	-1.4	113.1	L211 I215 Y238 R239 L240 Q244	L211-R242 HydrophobicContact CB-CB 4.16Å; L211-R242 HydrophobicContact CB-CG 4.32Å; L211-R242 VanDerWaalsContact CD1-CA 3.49Å; L211-R242 HydrophobicContact CD1-CB 3.87Å; L211-R242 HydrophobicContact CD1-CG 4.45Å; I215-R242 HydrophobicContact CD1-CB 4.43Å; Y238-R242 VanDerWaalsContact O-CB 3.24Å; Y238-R242 WeakPolarHBondContact O-CB 3.46Å; Y238-R242 PolarHBondContact O-N 3.12Å; R239-R242 PolarHBondContact O-N 3.47Å; L240-R242 VanDerWaalsContact C-N 3.27Å; L240-R242 PolarHBondContact O-N 3.22Å; R242-Q244 VanDerWaalsContact C-N 3.3Å
243	L	92.8	Very high	93.3	Very high	153 Å²	153	81.8 Å²	81.8	80%	0.801	42%	0.422	S	S	*	.	H	α-helix	trans	-74	-23.8	173.9	-66.7	170.2	0	0	0	112.4	R239 L240 I241	R239-L243 WeakPolarHBondContact O-CG 3.5Å; R239-L243 PolarHBondContact O-N 2.81Å; L240-L243 WeakPolarHBondContact O-CB 3.25Å; L240-L243 PolarHBondContact O-N 3.42Å; L240-L243 VanDerWaalsContact O-N 3.11Å; I241-L243 PolarHBondContact O-N 2.95Å
244	Q	91.3	Very high	93.1	Very high	160 Å²	160	77.3 Å²	77.3	75%	0.748	40%	0.395	S	S	*	.	H	α-helix	trans	-92	-31.1	-177.6	-65.9	177.1	-16.4	0	0	113.2	L240 I241 R242	L240-Q244 PolarHBondContact O-N 3.45Å; I241-Q244 PolarHBondContact O-N 2.94Å; R242-Q244 VanDerWaalsContact C-N 3.3Å
245	R	88	Confident	92.2	Very high	145 Å²	145	80 Å²	80	55%	0.547	41%	0.411	S	S	.	.			trans	-93.6	136.9	-178.1	-71.6	-169.3	172.9	-177.7	-1	112.1	L211 I241	L211-R245 HydrophobicContact CD1-CB 4.36Å; I241-R245 HydrophobicContact CG2-CG 4.11Å; I241-R245 PolarHBondContact O-N 2.99Å
246	T	83.6	Confident	90.6	Very high	152 Å²	152	84.8 Å²	84.8	93%	0.933	44%	0.44	S	S	*	.			trans	-93.1	-29.9	173.6	52.7	0	0	0	0	112.9
247	S	89	Confident	88.8	Confident	84 Å²	84	90 Å²	90	59%	0.587	46%	0.457	S	S	*	.			trans	-80.5	136.6	177.7	-174.2	0	0	0	0	111.1
248	N	89.7	Confident	87.1	Confident	81 Å²	81	87.2 Å²	87.2	43%	0.433	44%	0.444	S	S	.	.			trans	-141	88	172.7	-179.6	49.3	0	0	0	108.7	S210 L211 P212	S210-N248 WeakPolarHBondContact CA-OD1 3.33Å; L211-N248 PolarHBondContact N-OD1 2.82Å; P212-N248 VanDerWaalsContact CD-CG 3.44Å; P212-N248 WeakPolarHBondContact CD-ND2 3.48Å; P212-N248 WeakPolarHBondContact CD-OD1 3.33Å
249	P	92.8	Very high	85.5	Confident	47 Å²	47	94.5 Å²	94.5	31%	0.305	48%	0.484	S	S	.	.			trans	-62.7	143.1	179.5	27.9	-35.4	0	0	0	110.8	F208 G209 S210 I251	F208-P249 HydrophobicContact CD1-CB 4.37Å; F208-P249 HydrophobicContact CD1-CG 4.03Å; F208-P249 HydrophobicContact CE1-CB 3.67Å; F208-P249 HydrophobicContact CE1-CG 3.84Å; F208-P249 HydrophobicContact CZ-CB 4.19Å; F208-P249 WeakPolarHBondContact O-CG 3.3Å; G209-P249 WeakPolarHBondContact O-CD 3.48Å; S210-P249 WeakPolarHBondContact CB-O 3.49Å; S210-P249 PolarHBondContact OG-O 3.09Å; P249-I251 PolarHBondContact O-N 3.39Å
250	D	93.7	Very high	84.4	Confident	79 Å²	79	91.9 Å²	91.9	42%	0.422	48%	0.479	S	S	.	.			trans	-78.3	112.2	174.8	179.7	16.4	0	0	0	109.6	F252 T253	D250-F252 VanDerWaalsContact C-N 3.3Å; D250-F252 WeakPolarHBondContact OD1-CD2 3.47Å; D250-F252 PolarHBondContact OD1-N 3.42Å; D250-T253 WeakPolarHBondContact OD2-CB 3.42Å; D250-T253 PolarHBondContact OD2-N 3.05Å; D250-T253 PolarHBondContact OD2-OG1 3.21Å
251	I	95.6	Very high	83.9	Confident	0 Å²	0	89.5 Å²	89.5	0%	0	47%	0.471	C	S	.	.	S	Bend	trans	-74.7	-22	179.8	-165	161.9	0	0	0	112.6	Q173 F176 A205 F208 V213 P249	Q173-I251 HydrophobicContact CG-CG1 4.15Å; Q173-I251 WeakPolarHBondContact CG-O 3.37Å; Q173-I251 PolarHBondContact NE2-O 3.3Å; F176-I251 HydrophobicContact CB-CD1 3.48Å; F176-I251 VanDerWaalsContact CB-CD1 3.48Å; F176-I251 HydrophobicContact CB-CG1 4.09Å; F176-I251 HydrophobicContact CD1-CD1 3.77Å; F176-I251 HydrophobicContact CD1-CG1 3.74Å; F176-I251 HydrophobicContact CD1-CG2 4.04Å; F176-I251 HydrophobicContact CD2-CD1 3.8Å; F176-I251 HydrophobicContact CE1-CD1 4.47Å; F176-I251 HydrophobicContact CE1-CG1 4.35Å; F176-I251 HydrophobicContact CE1-CG2 3.76Å; F176-I251 HydrophobicContact CE2-CD1 4.49Å; F176-I251 HydrophobicContact CG-CD1 3.39Å; F176-I251 HydrophobicContact CG-CG1 3.9Å; F176-I251 HydrophobicContact CZ-CG2 4.06Å; A205-I251 HydrophobicContact CB-CD1 4.04Å; F208-I251 HydrophobicContact CB-CD1 3.82Å; F208-I251 HydrophobicContact CB-CG1 4.46Å; F208-I251 HydrophobicContact CD1-CB 3.67Å; F208-I251 HydrophobicContact CD1-CD1 3.9Å; F208-I251 HydrophobicContact CD1-CG1 3.72Å; F208-I251 VanDerWaalsContact CE1-CA 3.48Å; F208-I251 HydrophobicContact CE1-CB 3.82Å; F208-I251 HydrophobicContact CE1-CG1 4.09Å; F208-I251 HydrophobicContact CG-CD1 3.97Å; F208-I251 HydrophobicContact CG-CG1 4.06Å; V213-I251 HydrophobicContact CB-CG2 4.34Å; V213-I251 HydrophobicContact CG1-CG2 4.08Å; V213-I251 HydrophobicContact CG2-CG2 4.12Å; P249-I251 PolarHBondContact O-N 3.39Å
252	F	95.5	Very high	83.8	Confident	84 Å²	84	88.6 Å²	88.6	37%	0.368	47%	0.466	S	S	.	.	S	Bend	trans	-80.9	-28.1	-177.5	-61.9	-79.8	0	0	0	112.5	Y144 F176 L180 V213 D250	Y144-F252 WeakPolarHBondContact CE1-O 3.43Å; Y144-F252 PolarHBondContact OH-O 2.97Å; F176-F252 AromaticContact CE1-CD1 3.94Å; F176-F252 HydrophobicContact CE1-CD1 3.94Å; F176-F252 AromaticContact CE1-CE1 3.49Å; F176-F252 HydrophobicContact CE1-CE1 3.49Å; F176-F252 VanDerWaalsContact CE1-CE1 3.49Å; F176-F252 AromaticContact CE1-CZ 3.93Å; F176-F252 HydrophobicContact CE1-CZ 3.93Å; F176-F252 AromaticContact CZ-CE1 3.76Å; F176-F252 HydrophobicContact CZ-CE1 3.76Å; F176-F252 AromaticContact CZ-CZ 3.78Å; F176-F252 HydrophobicContact CZ-CZ 3.78Å; L180-F252 HydrophobicContact CD2-CD1 4.39Å; L180-F252 HydrophobicContact CD2-CE1 3.84Å; V213-F252 HydrophobicContact CG1-CE2 4.26Å; V213-F252 HydrophobicContact CG1-CZ 4.16Å; V213-F252 HydrophobicContact CG2-CE2 3.75Å; V213-F252 HydrophobicContact CG2-CZ 4.43Å; D250-F252 VanDerWaalsContact C-N 3.3Å; D250-F252 WeakPolarHBondContact OD1-CD2 3.47Å; D250-F252 PolarHBondContact OD1-N 3.42Å
253	T	92.9	Very high	83.7	Confident	67 Å²	67	84.7 Å²	84.7	41%	0.411	45%	0.453	S	S	.	.	S	Bend	trans	-92.9	111.2	-179.3	-59.1	0	0	0	0	110	Q173 D250 N255 T256	Q173-T253 PolarHBondContact NE2-O 3.49Å; D250-T253 WeakPolarHBondContact OD2-CB 3.42Å; D250-T253 PolarHBondContact OD2-N 3.05Å; D250-T253 PolarHBondContact OD2-OG1 3.21Å; T253-N255 PolarHBondContact O-N 2.98Å; T253-T256 HydrophobicContact CG2-CG2 4.41Å
254	L	90.1	Very high	83.7	Confident	12 Å²	12	77.8 Å²	77.8	6%	0.063	42%	0.418	C	S	.	.			trans	-59.1	136.7	168.7	-62.7	176.6	0	0	0	109.5	K142 Y144 Q173 L177 T256	K142-L254 VanDerWaalsContact C-CD1 3.41Å; K142-L254 HydrophobicContact CB-CD1 4.38Å; Y144-L254 HydrophobicContact CE1-CD1 4.32Å; Y144-L254 HydrophobicContact CE1-CG 4.15Å; Y144-L254 HydrophobicContact CE2-CD1 4.32Å; Q173-L254 HydrophobicContact CG-CD2 4.27Å; L177-L254 HydrophobicContact CD1-CD2 3.68Å; L177-L254 HydrophobicContact CD1-CG 4.32Å; L254-T256 PolarHBondContact O-N 2.95Å
255	N	77.4	Confident	83.8	Confident	111 Å²	111	70.3 Å²	70.3	59%	0.594	38%	0.383	S	S	*	.			trans	-52.4	126	-172	-174.7	6	0	0	0	111.6	K142 T253 Q257	K142-N255 WeakPolarHBondContact CE-O 3.28Å; T253-N255 PolarHBondContact O-N 2.98Å; N255-Q257 PolarHBondContact ND2-O 3.06Å; N255-Q257 PolarHBondContact OD1-N 3.22Å; N255-Q257 VanDerWaalsContact OD1-N 3.17Å
256	T	63	Low	84.1	Confident	100 Å²	100	64 Å²	64	61%	0.613	36%	0.361	S	S	*	.	S	Bend	trans	-82.7	-28.8	-176.2	51.7	0	0	0	0	112.8	K142 T253 L254	K142-T256 PolarHBondContact NZ-O 3.38Å; T253-T256 HydrophobicContact CG2-CG2 4.41Å; L254-T256 PolarHBondContact O-N 2.95Å
257	Q	58.6	Low	84.5	Confident	140 Å²	140	58.8 Å²	58.8	65%	0.654	32%	0.324	S	S	*	.			trans	-97.2	95.6	178.6	-64.1	-166.6	-4	0	0	109.7	N255 N259	N255-Q257 PolarHBondContact ND2-O 3.06Å; N255-Q257 PolarHBondContact OD1-N 3.22Å; N255-Q257 VanDerWaalsContact OD1-N 3.17Å; Q257-N259 PolarHBondContact O-N 3.44Å
258	S	60.6	Low	84.6	Confident	27 Å²	27	57.6 Å²	57.6	19%	0.189	33%	0.325	C	S	.	.			trans	-78.5	111.6	157.8	71.1	0	0	0	0	107.1	N260 E263 R267	S258-N260 PolarHBondContact O-N 2.97Å; S258-N260 VanDerWaalsContact O-N 3.1Å; S258-N260 PolarHBondContact OG-O 2.58Å; S258-E263 WeakPolarHBondContact CB-OE2 3.36Å; S258-R267 PolarHBondContact OG-NH2 2.8Å
259	N	63.2	Low	84.7	Confident	163 Å²	163	58.6 Å²	58.6	87%	0.872	33%	0.327	S	S	*	.			trans	-63.7	-7.1	163.5	-74.3	-13.6	0	0	0	111.8	Q257	Q257-N259 PolarHBondContact O-N 3.44Å
260	N	73.5	Confident	84.5	Confident	65 Å²	65	58.6 Å²	58.6	35%	0.348	33%	0.326	S	S	.	.			trans	-91.1	110.3	-178	-166.1	-4.7	0	0	0	111.1	S258 Y262 E263 A264	S258-N260 PolarHBondContact O-N 2.97Å; S258-N260 VanDerWaalsContact O-N 3.1Å; S258-N260 PolarHBondContact OG-O 2.58Å; N260-Y262 PolarHBondContact O-N 3.48Å; N260-Y262 WeakPolarHBondContact OD1-CB 3.36Å; N260-Y262 PolarHBondContact OD1-N 3.19Å; N260-E263 HydrophobicContact CB-CG 3.98Å; N260-E263 PolarHBondContact ND2-OE1 2.99Å; N260-E263 PolarHBondContact O-N 3.08Å; N260-A264 PolarHBondContact O-N 3.46Å
261	S	84.2	Confident	84.4	Confident	54 Å²	54	58.3 Å²	58.3	38%	0.378	33%	0.325	S	S	.	.	H	α-helix	trans	-59.8	-30.2	178.1	62.8	0	0	0	0	112.5	L265 T425	S261-L265 WeakPolarHBondContact O-CB 3.45Å; S261-L265 WeakPolarHBondContact O-CD1 3.11Å; S261-L265 WeakPolarHBondContact O-CG 3.28Å; S261-L265 PolarHBondContact O-N 3.42Å; S261-T425 PolarHBondContact OG-O 3.02Å
262	Y	91.2	Very high	84.2	Confident	5 Å²	5	63.3 Å²	63.3	2%	0.02	35%	0.348	C	S	.	.	H	α-helix	trans	-58.3	-51.2	177.9	167.1	-115.7	0	0	0	112.6	I140 N260 L265 C266 P394 V423 T425 A457 G458	I140-Y262 HydrophobicContact CD1-CD1 4.33Å; I140-Y262 HydrophobicContact CD1-CE1 3.79Å; N260-Y262 PolarHBondContact O-N 3.48Å; N260-Y262 WeakPolarHBondContact OD1-CB 3.36Å; N260-Y262 PolarHBondContact OD1-N 3.19Å; Y262-L265 PolarHBondContact O-N 2.83Å; Y262-C266 WeakPolarHBondContact CE2-SG 3.25Å; Y262-C266 PolarHBondContact O-N 3.16Å; Y262-C266 PolarHBondContact O-SG 3.35Å; Y262-P394 HydrophobicContact CD1-CG 4.46Å; Y262-P394 HydrophobicContact CD2-CG 4.03Å; Y262-P394 HydrophobicContact CG-CG 3.86Å; Y262-V423 HydrophobicContact CD2-CG2 3.6Å; Y262-V423 HydrophobicContact CE2-CG2 3.91Å; Y262-T425 HydrophobicContact CD2-CG2 4.37Å; Y262-A457 HydrophobicContact CD2-CB 3.42Å; Y262-A457 VanDerWaalsContact CD2-CB 3.42Å; Y262-A457 HydrophobicContact CE2-CB 3.28Å; Y262-G458 PolarHBondContact OH-O 3.49Å
263	E	91.4	Very high	84	Confident	50 Å²	50	61.5 Å²	61.5	23%	0.234	34%	0.339	C	S	.	.	H	α-helix	trans	-70.6	-38.9	-174.4	-48.8	169.7	-171.5	0	0	110.9	I140 S258 N260 L265 C266 R267	I140-E263 HydrophobicContact CD1-CB 4.41Å; I140-E263 HydrophobicContact CD1-CG 3.74Å; S258-E263 WeakPolarHBondContact CB-OE2 3.36Å; N260-E263 HydrophobicContact CB-CG 3.98Å; N260-E263 PolarHBondContact ND2-OE1 2.99Å; N260-E263 PolarHBondContact O-N 3.08Å; E263-L265 VanDerWaalsContact C-N 3.31Å; E263-L265 PolarHBondContact O-N 3.4Å; E263-C266 PolarHBondContact O-N 3.01Å; E263-R267 WeakPolarHBondContact O-CG 3.35Å; E263-R267 PolarHBondContact O-N 3.42Å; E263-R267 IonicContact OE2-NH1 3.68Å
264	A	92.2	Very high	83.9	Confident	7 Å²	7	61.9 Å²	61.9	6%	0.058	34%	0.341	C	S	.	.	H	α-helix	trans	-61.8	-39.5	175.2	0	0	0	0	0	111.8	N260 R267 G268 E269 V270	N260-A264 PolarHBondContact O-N 3.46Å; A264-R267 PolarHBondContact O-N 3.16Å; A264-G268 PolarHBondContact O-N 3.01Å; A264-G268 VanDerWaalsContact O-N 3.1Å; A264-E269 HydrophobicContact CB-CB 4.25Å; A264-E269 PolarHBondContact O-N 3.02Å; A264-V270 HydrophobicContact CB-CG2 3.77Å
265	L	94.2	Very high	83.9	Confident	3 Å²	3	65 Å²	65	2%	0.016	36%	0.364	C	S	.	.	H	α-helix	trans	-65.6	-42.8	173.3	-73.2	164.2	0	0	0	112	S261 Y262 E263 R267 G268 V270 V423 G428	S261-L265 WeakPolarHBondContact O-CB 3.45Å; S261-L265 WeakPolarHBondContact O-CD1 3.11Å; S261-L265 WeakPolarHBondContact O-CG 3.28Å; S261-L265 PolarHBondContact O-N 3.42Å; Y262-L265 PolarHBondContact O-N 2.83Å; E263-L265 VanDerWaalsContact C-N 3.31Å; E263-L265 PolarHBondContact O-N 3.4Å; L265-R267 PolarHBondContact O-N 2.94Å; L265-G268 PolarHBondContact O-N 2.69Å; L265-V270 HydrophobicContact CD2-CB 4.13Å; L265-V270 HydrophobicContact CD2-CG1 4.09Å; L265-V270 WeakPolarHBondContact CD2-O 3.42Å; L265-V270 HydrophobicContact CG-CB 4.48Å; L265-V423 HydrophobicContact CB-CB 3.88Å; L265-V423 HydrophobicContact CB-CG1 3.76Å; L265-V423 HydrophobicContact CB-CG2 4.33Å; L265-V423 HydrophobicContact CD1-CB 4.19Å; L265-G428 WeakPolarHBondContact CD2-O 3.24Å
266	C	93.9	Very high	84.6	Confident	13 Å²	13	67.7 Å²	67.7	9%	0.088	37%	0.371	C	S	.	.	H	α-helix	trans	-61.9	-33.7	176.6	-67.7	0	0	0	0	112.7	I140 Y141 Y262 E263 G268 C459	I140-C266 HydrophobicContact CG2-CB 3.73Å; Y141-C266 HydrophobicContact CE1-CB 4.49Å; Y141-C266 VanDerWaalsContact CE1-O 3.29Å; Y141-C266 WeakPolarHBondContact CE1-O 3.47Å; Y262-C266 WeakPolarHBondContact CE2-SG 3.25Å; Y262-C266 PolarHBondContact O-N 3.16Å; Y262-C266 PolarHBondContact O-SG 3.35Å; E263-C266 PolarHBondContact O-N 3.01Å; C266-G268 VanDerWaalsContact C-N 3.33Å; C266-C459 WeakPolarHBondContact CA-SG 3.01Å; C266-C459 HydrophobicContact CB-CB 3.76Å; C266-C459 WeakPolarHBondContact CB-SG 3.15Å; C266-C459 WeakPolarHBondContact SG-CA 3.26Å; C266-C459 WeakPolarHBondContact SG-CB 3.45Å; C266-C459 CovalentContact SG-SG 2.03Å; C266-C459 PolarHBondContact SG-SG 2.97Å
267	R	92.8	Very high	86	Confident	43 Å²	43	66.2 Å²	66.2	16%	0.162	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-10.3	174.2	-68.5	-173.5	-59.5	-90.9	-5.7	114.3	I140 Y141 S258 E263 A264 L265 E269	I140-R267 WeakPolarHBondContact O-CD 3.43Å; I140-R267 WeakPolarHBondContact O-CG 3.34Å; I140-R267 PolarHBondContact O-NH1 3.31Å; Y141-R267 HydrophobicContact CD1-CG 4.26Å; S258-R267 PolarHBondContact OG-NH2 2.8Å; E263-R267 WeakPolarHBondContact O-CG 3.35Å; E263-R267 PolarHBondContact O-N 3.42Å; E263-R267 IonicContact OE2-NH1 3.68Å; A264-R267 PolarHBondContact O-N 3.16Å; L265-R267 PolarHBondContact O-N 2.94Å; R267-E269 VanDerWaalsContact C-N 3.26Å; R267-E269 HydrophobicContact CB-CG 3.89Å; R267-E269 IonicContact CZ-OE1 3.42Å; R267-E269 IonicContact CZ-OE2 3.43Å; R267-E269 IonicContact NE-OE1 3.99Å; R267-E269 PolarHBondContact NE-OE1 3.36Å; R267-E269 IonicContact NE-OE2 2.78Å; R267-E269 PolarHBondContact NE-OE2 2.6Å; R267-E269 VanDerWaalsContact NE-OE2 3.13Å; R267-E269 IonicContact NH2-OE1 3.27Å; R267-E269 IonicContact NH2-OE2 3.29Å; R267-E269 PolarHBondContact NH2-OE2 3.29Å; R267-E269 PolarHBondContact O-N 3.26Å
268	G	91	Very high	87.5	Confident	59 Å²	59	64.1 Å²	64.1	61%	0.608	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.9	21.1	-173.3	0	0	0	0	0	113.9	A264 L265 C266 V270	A264-G268 PolarHBondContact O-N 3.01Å; A264-G268 VanDerWaalsContact O-N 3.1Å; L265-G268 PolarHBondContact O-N 2.69Å; C266-G268 VanDerWaalsContact C-N 3.33Å; G268-V270 VanDerWaalsContact C-N 3.28Å
269	E	91.1	Very high	89	Confident	101 Å²	101	71.6 Å²	71.6	47%	0.472	37%	0.368	S	S	.	.			trans	-74.5	-22.3	175.5	-67.8	172.5	174.9	0	0	112	K142 A264 R267	K142-E269 IonicContact NZ-OE1 3.94Å; K142-E269 PolarHBondContact NZ-OE1 3.17Å; K142-E269 IonicContact NZ-OE2 2.8Å; K142-E269 PolarHBondContact NZ-OE2 3.14Å; A264-E269 HydrophobicContact CB-CB 4.25Å; A264-E269 PolarHBondContact O-N 3.02Å; R267-E269 VanDerWaalsContact C-N 3.26Å; R267-E269 HydrophobicContact CB-CG 3.89Å; R267-E269 IonicContact CZ-OE1 3.42Å; R267-E269 IonicContact CZ-OE2 3.43Å; R267-E269 IonicContact NE-OE1 3.99Å; R267-E269 PolarHBondContact NE-OE1 3.36Å; R267-E269 IonicContact NE-OE2 2.78Å; R267-E269 PolarHBondContact NE-OE2 2.6Å; R267-E269 VanDerWaalsContact NE-OE2 3.13Å; R267-E269 IonicContact NH2-OE1 3.27Å; R267-E269 IonicContact NH2-OE2 3.29Å; R267-E269 PolarHBondContact NH2-OE2 3.29Å; R267-E269 PolarHBondContact O-N 3.26Å
270	V	88.8	Confident	90.4	Very high	47 Å²	47	67.1 Å²	67.1	29%	0.285	35%	0.354	S	S	.	.			trans	-124.3	132.8	-179.3	176	0	0	0	0	109.3	A264 L265 G268 E272	A264-V270 HydrophobicContact CB-CG2 3.77Å; L265-V270 HydrophobicContact CD2-CB 4.13Å; L265-V270 HydrophobicContact CD2-CG1 4.09Å; L265-V270 WeakPolarHBondContact CD2-O 3.42Å; L265-V270 HydrophobicContact CG-CB 4.48Å; G268-V270 VanDerWaalsContact C-N 3.28Å; V270-E272 HydrophobicContact CG1-CG 4.39Å
271	D	91.1	Very high	91.4	Very high	74 Å²	74	65.6 Å²	65.6	40%	0.396	35%	0.346	S	S	.	.			trans	-149.3	107.4	166.6	-168.8	-14.7	0	0	0	109.1	R273	D271-R273 PolarHBondContact O-N 2.95Å; D271-R273 WeakPolarHBondContact OD1-CB 3.4Å; D271-R273 WeakPolarHBondContact OD1-CG 3.21Å; D271-R273 IonicContact OD1-CZ 2.87Å; D271-R273 PolarHBondContact OD1-N 3.22Å; D271-R273 IonicContact OD1-NE 2.65Å; D271-R273 PolarHBondContact OD1-NE 3.44Å; D271-R273 IonicContact OD1-NH2 3.63Å; D271-R273 IonicContact OD2-CZ 2.73Å; D271-R273 IonicContact OD2-NE 2.78Å; D271-R273 PolarHBondContact OD2-NE 2.6Å; D271-R273 VanDerWaalsContact OD2-NE 3.15Å; D271-R273 IonicContact OD2-NH2 2.7Å; D271-R273 PolarHBondContact OD2-NH2 2.99Å
272	E	91.8	Very high	91.9	Very high	104 Å²	104	65.3 Å²	65.3	49%	0.486	34%	0.344	S	S	.	.			trans	-78.8	0.1	-178.6	-67.5	-65.9	162.5	0	0	112.8	V270 T274 W305 V427 G428	V270-E272 HydrophobicContact CG1-CG 4.39Å; E272-T274 PolarHBondContact O-N 3.13Å; E272-W305 HydrophobicContact CB-CH2 3.82Å; E272-W305 HydrophobicContact CB-CZ3 4.19Å; E272-V427 WeakPolarHBondContact CB-O 3.49Å; E272-V427 WeakPolarHBondContact CG-O 3.49Å; E272-G428 PolarHBondContact N-O 2.85Å
273	R	90.6	Very high	92.2	Very high	47 Å²	47	69.7 Å²	69.7	18%	0.177	37%	0.374	C	S	.	.			trans	-74.2	69.1	168.9	-61.5	171.1	-65.6	-161.9	-5	109.7	D271 Q278 L304 W305 V429 A430	D271-R273 PolarHBondContact O-N 2.95Å; D271-R273 WeakPolarHBondContact OD1-CB 3.4Å; D271-R273 WeakPolarHBondContact OD1-CG 3.21Å; D271-R273 IonicContact OD1-CZ 2.87Å; D271-R273 PolarHBondContact OD1-N 3.22Å; D271-R273 IonicContact OD1-NE 2.65Å; D271-R273 PolarHBondContact OD1-NE 3.44Å; D271-R273 IonicContact OD1-NH2 3.63Å; D271-R273 IonicContact OD2-CZ 2.73Å; D271-R273 IonicContact OD2-NE 2.78Å; D271-R273 PolarHBondContact OD2-NE 2.6Å; D271-R273 VanDerWaalsContact OD2-NE 3.15Å; D271-R273 IonicContact OD2-NH2 2.7Å; D271-R273 PolarHBondContact OD2-NH2 2.99Å; R273-Q278 HydrophobicContact CB-CG 3.82Å; R273-Q278 VanDerWaalsContact O-CG 3.32Å; R273-Q278 WeakPolarHBondContact O-CG 3.23Å; R273-L304 WeakPolarHBondContact CD-O 3.39Å; R273-W305 HydrophobicContact CG-CE3 3.83Å; R273-W305 HydrophobicContact CG-CZ3 3.85Å; R273-V429 HydrophobicContact CG-CG2 3.97Å; R273-A430 PolarHBondContact NH1-O 2.91Å; R273-A430 PolarHBondContact NH2-O 3.18Å; R273-A430 VanDerWaalsContact NH2-O 3.16Å
274	T	90.5	Very high	92.4	Very high	74 Å²	74	71.4 Å²	71.4	45%	0.454	38%	0.378	S	S	.	.			trans	-54.7	153.8	173.3	65.8	0	0	0	0	110.7	E272 K276 R277 Q278	E272-T274 PolarHBondContact O-N 3.13Å; T274-K276 PolarHBondContact O-N 3.48Å; T274-R277 PolarHBondContact O-N 3.06Å; T274-R277 PolarHBondContact OG1-N 3.25Å; T274-Q278 PolarHBondContact O-N 3.01Å
275	S	91.4	Very high	92.7	Very high	79 Å²	79	79 Å²	79	55%	0.552	41%	0.407	S	S	*	.	H	α-helix	trans	-56.5	-27.9	178.1	-45.4	0	0	0	0	113	R279	S275-R279 WeakPolarHBondContact O-CG 3.36Å; S275-R279 PolarHBondContact O-N 2.91Å; S275-R279 PolarHBondContact O-NH1 2.94Å
276	K	92.1	Very high	92.8	Very high	166 Å²	166	79.7 Å²	79.7	72%	0.722	41%	0.412	S	S	*	.	H	α-helix	trans	-66.6	-45.3	173.8	-176.4	-176.7	175.5	-173.1	0	111.6	T274	T274-K276 PolarHBondContact O-N 3.48Å
277	R	91.1	Very high	92.8	Very high	69 Å²	69	81.7 Å²	81.7	26%	0.26	42%	0.423	S	S	.	.	H	α-helix	trans	-72.3	-42.2	-179.8	-161.3	166.5	-168.1	148.6	2.9	111.4	T274 R279 A280 L281 W305 D306	T274-R277 PolarHBondContact O-N 3.06Å; T274-R277 PolarHBondContact OG1-N 3.25Å; R277-R279 PolarHBondContact O-N 3.02Å; R277-A280 WeakPolarHBondContact O-CA 3.44Å; R277-A280 WeakPolarHBondContact O-CB 3.45Å; R277-A280 PolarHBondContact O-N 3.49Å; R277-L281 PolarHBondContact O-N 3.14Å; R277-W305 VanDerWaalsContact CZ-CH2 3.48Å; R277-W305 VanDerWaalsContact NH1-CH2 3.32Å; R277-D306 IonicContact CZ-OD1 2.72Å; R277-D306 IonicContact NE-OD1 3.86Å; R277-D306 PolarHBondContact NE-OD1 2.96Å; R277-D306 IonicContact NE-OD2 3.47Å; R277-D306 IonicContact NH2-OD1 3.38Å; R277-D306 PolarHBondContact NH2-OD1 3.46Å; R277-D306 IonicContact NH2-OD2 3.78Å
278	Q	91.1	Very high	92.6	Very high	96 Å²	96	80.2 Å²	80.2	45%	0.449	42%	0.421	S	S	.	.	H	α-helix	trans	-55	-36	175.2	-72.5	178.7	-39.9	0	0	113.2	R273 T274 A280 L281	R273-Q278 HydrophobicContact CB-CG 3.82Å; R273-Q278 VanDerWaalsContact O-CG 3.32Å; R273-Q278 WeakPolarHBondContact O-CG 3.23Å; T274-Q278 PolarHBondContact O-N 3.01Å; Q278-A280 PolarHBondContact O-N 3.27Å; Q278-L281 WeakPolarHBondContact O-CB 3.35Å; Q278-L281 PolarHBondContact O-N 3.1Å
279	R	92.5	Very high	92.4	Very high	184 Å²	184	81.5 Å²	81.5	69%	0.694	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-20.1	175.7	-75.8	-172.6	-58.4	-94.2	8.4	114.4	S275 R277	S275-R279 WeakPolarHBondContact O-CG 3.36Å; S275-R279 PolarHBondContact O-N 2.91Å; S275-R279 PolarHBondContact O-NH1 2.94Å; R277-R279 PolarHBondContact O-N 3.02Å
280	A	91.6	Very high	92.4	Very high	70 Å²	70	78.6 Å²	78.6	58%	0.579	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-18.5	175.6	0	0	0	0	0	112.2	R277 Q278	R277-A280 WeakPolarHBondContact O-CA 3.44Å; R277-A280 WeakPolarHBondContact O-CB 3.45Å; R277-A280 PolarHBondContact O-N 3.49Å; Q278-A280 PolarHBondContact O-N 3.27Å
281	L	94.9	Very high	92.6	Very high	33 Å²	33	77.9 Å²	77.9	17%	0.173	43%	0.426	C	S	.	.			trans	-74.9	148.4	174.7	-58	177.5	0	0	0	110.3	R277 Q278 E303 L304 D306	R277-L281 PolarHBondContact O-N 3.14Å; Q278-L281 WeakPolarHBondContact O-CB 3.35Å; Q278-L281 PolarHBondContact O-N 3.1Å; L281-E303 HydrophobicContact CB-CB 4.41Å; L281-E303 WeakPolarHBondContact CB-O 3.45Å; L281-E303 HydrophobicContact CD2-CB 4.14Å; L281-L304 WeakPolarHBondContact CD1-O 3.35Å; L281-D306 HydrophobicContact CD2-CB 4.08Å
282	S	95.2	Very high	92.7	Very high	48 Å²	48	78.8 Å²	78.8	34%	0.336	44%	0.436	S	S	.	.			trans	-135.6	150.6	-175.8	65.6	0	0	0	0	112.6	R284 E303	S282-R284 PolarHBondContact OG-NH1 3.13Å; S282-E303 PolarHBondContact N-OE2 3.37Å; S282-E303 PolarHBondContact O-N 3.47Å; S282-E303 PolarHBondContact OG-OE2 2.64Å
283	C	96.3	Very high	92.8	Very high	96 Å²	96	80.8 Å²	80.8	65%	0.649	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.4	140.8	168.5	-51.2	0	0	0	0	109.1	E301	C283-E301 CarbonylContact C-O 3.46Å; C283-E301 VanDerWaalsContact CA-O 3.22Å; C283-E301 WeakPolarHBondContact CA-O 3.37Å
284	R	97	Very high	93	Very high	87 Å²	87	79.4 Å²	79.4	33%	0.328	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	161.8	-175.4	58.5	-172.3	168.8	-103.7	2.4	112.1	S282 E301 E303	S282-R284 PolarHBondContact OG-NH1 3.13Å; R284-E301 HydrophobicContact CG-CB 4.14Å; R284-E301 IonicContact CZ-OE1 3.43Å; R284-E301 PolarHBondContact N-O 3.36Å; R284-E301 IonicContact NE-OE1 3.38Å; R284-E301 PolarHBondContact NE-OE1 3.31Å; R284-E301 IonicContact NH2-OE1 2.72Å; R284-E301 PolarHBondContact NH2-OE1 2.96Å; R284-E301 PolarHBondContact O-N 2.9Å; R284-E303 IonicContact CZ-OE1 2.87Å; R284-E303 VanDerWaalsContact CZ-OE1 3.27Å; R284-E303 IonicContact NH1-OE1 3.63Å; R284-E303 PolarHBondContact NH1-OE1 3.41Å; R284-E303 IonicContact NH1-OE2 3.51Å; R284-E303 PolarHBondContact NH1-OE2 2.81Å; R284-E303 IonicContact NH2-OE1 2.67Å; R284-E303 PolarHBondContact NH2-OE1 3.1Å
285	Y	97.3	Very high	93.2	Very high	167 Å²	167	81.8 Å²	81.8	66%	0.655	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86	115.3	162.2	-72.6	-78.1	0	0	0	108.2	P298 V299 K300	Y285-P298 HydrophobicContact CD1-CB 4.45Å; Y285-P298 HydrophobicContact CD1-CG 3.97Å; Y285-P298 HydrophobicContact CG-CG 4.21Å; Y285-V299 CarbonylContact C-O 3.47Å; Y285-V299 WeakPolarHBondContact CA-O 3.39Å; Y285-K300 HydrophobicContact CD1-CG 4.19Å; Y285-K300 HydrophobicContact CE1-CG 3.69Å
286	S	96.2	Very high	93.2	Very high	17 Å²	17	88.5 Å²	88.5	12%	0.119	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	137.9	-174.9	-176.3	0	0	0	0	110.7	G288 P298 V299 E301	S286-G288 PolarHBondContact OG-N 3.41Å; S286-P298 CarbonylContact O-C 3.6Å; S286-P298 WeakPolarHBondContact O-CA 3.35Å; S286-P298 WeakPolarHBondContact O-CB 3.35Å; S286-V299 PolarHBondContact N-O 2.92Å; S286-V299 PolarHBondContact O-N 3.11Å; S286-E301 WeakPolarHBondContact CB-OE2 3.43Å; S286-E301 PolarHBondContact OG-OE2 3.43Å
287	T	94.8	Very high	93.2	Very high	55 Å²	55	83.8 Å²	83.8	34%	0.337	45%	0.449	S	S	.	.			trans	-96.3	14.4	175.6	58.8	0	0	0	0	112.3	G289 G290 N291 P298	T287-G289 VanDerWaalsContact C-N 3.33Å; T287-G289 PolarHBondContact O-N 2.89Å; T287-G290 PolarHBondContact O-N 3.22Å; T287-G290 VanDerWaalsContact O-N 3.09Å; T287-G290 PolarHBondContact OG1-N 2.94Å; T287-N291 WeakPolarHBondContact O-CB 3.42Å; T287-N291 PolarHBondContact O-N 3.48Å; T287-P298 HydrophobicContact CG2-CB 4.44Å
288	G	88.6	Confident	93.5	Very high	11 Å²	11	82.6 Å²	82.6	11%	0.113	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	40.7	179.9	0	0	0	0	0	113.4	S286 I370	S286-G288 PolarHBondContact OG-N 3.41Å; G288-I370 WeakPolarHBondContact CA-O 3.19Å
289	G	87.2	Confident	93.8	Very high	86 Å²	86	78.7 Å²	78.7	89%	0.887	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	78	21	-175.4	0	0	0	0	0	114.7	T287	T287-G289 VanDerWaalsContact C-N 3.33Å; T287-G289 PolarHBondContact O-N 2.89Å
290	G	90.3	Very high	94.1	Very high	40 Å²	40	74 Å²	74	41%	0.412	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	93	23.8	-179.9	0	0	0	0	0	114.2	T287 P292	T287-G290 PolarHBondContact O-N 3.22Å; T287-G290 VanDerWaalsContact O-N 3.09Å; T287-G290 PolarHBondContact OG1-N 2.94Å; G290-P292 WeakPolarHBondContact O-CD 3.43Å
291	N	93.3	Very high	94.4	Very high	32 Å²	32	71.2 Å²	71.2	17%	0.171	39%	0.393	C	S	.	.			trans	-60.3	125.1	174.9	-172.6	-62	0	0	0	110.4	T287 R293 L294 M295 D369	T287-N291 WeakPolarHBondContact O-CB 3.42Å; T287-N291 PolarHBondContact O-N 3.48Å; N291-R293 PolarHBondContact O-N 3.19Å; N291-R293 VanDerWaalsContact O-N 3.1Å; N291-R293 WeakPolarHBondContact OD1-CB 3.31Å; N291-R293 PolarHBondContact OD1-N 3.18Å; N291-L294 HydrophobicContact CB-CB 4.48Å; N291-L294 HydrophobicContact CB-CD1 4.48Å; N291-L294 HydrophobicContact CB-CG 4.43Å; N291-L294 PolarHBondContact O-N 2.93Å; N291-M295 WeakPolarHBondContact O-CG 3.46Å; N291-M295 PolarHBondContact O-N 3.4Å; N291-D369 WeakPolarHBondContact ND2-CA 3.48Å; N291-D369 WeakPolarHBondContact ND2-CB 3.42Å; N291-D369 PolarHBondContact ND2-OD1 3.38Å
292	P	93.9	Very high	94.5	Very high	93 Å²	93	72.1 Å²	72.1	60%	0.604	40%	0.397	S	S	*	.	H	α-helix	trans	-54.9	-31.6	-177.5	-29.2	36	0	0	0	114.9	G290 M295	G290-P292 WeakPolarHBondContact O-CD 3.43Å; P292-M295 PolarHBondContact O-N 2.86Å
293	R	92.5	Very high	94.6	Very high	146 Å²	146	71 Å²	71	55%	0.551	39%	0.386	S	S	*	.	H	α-helix	trans	-70.9	-32.2	179	-64.3	176.9	-176.3	137.4	0.4	112.2	N291 D369	N291-R293 PolarHBondContact O-N 3.19Å; N291-R293 VanDerWaalsContact O-N 3.1Å; N291-R293 WeakPolarHBondContact OD1-CB 3.31Å; N291-R293 PolarHBondContact OD1-N 3.18Å; R293-D369 WeakPolarHBondContact CD-OD2 3.43Å; R293-D369 IonicContact CZ-OD2 3.36Å; R293-D369 IonicContact NE-OD2 3.03Å; R293-D369 VanDerWaalsContact NH1-CG 3.28Å; R293-D369 IonicContact NH1-OD1 3.77Å; R293-D369 PolarHBondContact NH1-OD1 3.34Å; R293-D369 IonicContact NH1-OD2 2.75Å; R293-D369 PolarHBondContact NH1-OD2 3.22Å
294	L	95.9	Very high	94.6	Very high	18 Å²	18	66.8 Å²	66.8	9%	0.094	36%	0.357	C	S	.	.	H	α-helix	trans	-89.7	-2.7	179.5	-60.1	-178.2	0	0	0	113.1	N291 Y296 A297 P298 V299 D369 I370	N291-L294 HydrophobicContact CB-CB 4.48Å; N291-L294 HydrophobicContact CB-CD1 4.48Å; N291-L294 HydrophobicContact CB-CG 4.43Å; N291-L294 PolarHBondContact O-N 2.93Å; L294-Y296 VanDerWaalsContact C-N 3.34Å; L294-A297 WeakPolarHBondContact CD2-O 3.45Å; L294-A297 CarbonylContact O-C 3.43Å; L294-P298 WeakPolarHBondContact O-CA 3.46Å; L294-P298 WeakPolarHBondContact O-CB 3.48Å; L294-P298 VanDerWaalsContact O-N 3.1Å; L294-V299 HydrophobicContact CD1-CG1 4.46Å; L294-D369 HydrophobicContact CD1-CB 4.39Å; L294-D369 VanDerWaalsContact CD1-O 3.27Å; L294-D369 WeakPolarHBondContact CD1-O 3.3Å; L294-D369 HydrophobicContact CG-CB 4.47Å; L294-I370 HydrophobicContact CD1-CG1 4.25Å
295	M	93.9	Very high	94.6	Very high	125 Å²	125	63 Å²	63	62%	0.616	34%	0.343	S	S	*	.	H	α-helix	trans	-67.1	-35.8	174.1	-64.1	-175.5	92.7	0	0	112.3	N291 P292	N291-M295 WeakPolarHBondContact O-CG 3.46Å; N291-M295 PolarHBondContact O-N 3.4Å; P292-M295 PolarHBondContact O-N 2.86Å
296	Y	90.7	Very high	94.4	Very high	219 Å²	219	58.2 Å²	58.2	86%	0.859	33%	0.328	S	S	*	.	H	α-helix	trans	-93.5	-26	179.2	-64	-72.2	0	0	0	113.2	L294	L294-Y296 VanDerWaalsContact C-N 3.34Å
297	A	93.7	Very high	94.1	Very high	67 Å²	67	62.9 Å²	62.9	55%	0.554	35%	0.348	S	S	*	.	S	Bend	trans	-134.7	73.7	178.9	0	0	0	0	0	109.3	L294	L294-A297 WeakPolarHBondContact CD2-O 3.45Å; L294-A297 CarbonylContact O-C 3.43Å
298	P	97.2	Very high	94	Very high	45 Å²	45	60.9 Å²	60.9	29%	0.292	34%	0.336	S	S	.	.			trans	-65.3	143.6	-178.4	27.4	-34.9	0	0	0	110.8	Y285 S286 T287 L294	Y285-P298 HydrophobicContact CD1-CB 4.45Å; Y285-P298 HydrophobicContact CD1-CG 3.97Å; Y285-P298 HydrophobicContact CG-CG 4.21Å; S286-P298 CarbonylContact O-C 3.6Å; S286-P298 WeakPolarHBondContact O-CA 3.35Å; S286-P298 WeakPolarHBondContact O-CB 3.35Å; T287-P298 HydrophobicContact CG2-CB 4.44Å; L294-P298 WeakPolarHBondContact O-CA 3.46Å; L294-P298 WeakPolarHBondContact O-CB 3.48Å; L294-P298 VanDerWaalsContact O-N 3.1Å
299	V	97.5	Very high	94.3	Very high	13 Å²	13	65 Å²	65	8%	0.079	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	144.3	177.8	68.5	0	0	0	0	110	Y285 S286 L294 E301 Y313 V316 I370	Y285-V299 CarbonylContact C-O 3.47Å; Y285-V299 WeakPolarHBondContact CA-O 3.39Å; S286-V299 PolarHBondContact N-O 2.92Å; S286-V299 PolarHBondContact O-N 3.11Å; L294-V299 HydrophobicContact CD1-CG1 4.46Å; V299-E301 PolarHBondContact O-N 3.2Å; V299-Y313 HydrophobicContact CB-CD1 4.48Å; V299-Y313 HydrophobicContact CG1-CD1 3.84Å; V299-Y313 HydrophobicContact CG1-CE1 3.9Å; V299-Y313 HydrophobicContact CG2-CD1 3.77Å; V299-Y313 HydrophobicContact CG2-CG 4.36Å; V299-V316 HydrophobicContact CG2-CG1 4.14Å; V299-I370 HydrophobicContact CB-CG1 4.22Å; V299-I370 HydrophobicContact CG1-CG1 4.27Å; V299-I370 HydrophobicContact CG1-CG2 4.26Å; V299-I370 HydrophobicContact CG2-CD1 4.05Å; V299-I370 HydrophobicContact CG2-CG1 4.16Å
300	K	98.3	Very high	94.8	Very high	85 Å²	85	61 Å²	61	37%	0.37	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	111.6	173.8	-67.6	174	-174.9	175.1	0	108.9	Y285 Y313 H314 D315	Y285-K300 HydrophobicContact CD1-CG 4.19Å; Y285-K300 HydrophobicContact CE1-CG 3.69Å; K300-Y313 CarbonylContact O-C 3.59Å; K300-Y313 VanDerWaalsContact O-CA 3.32Å; K300-Y313 WeakPolarHBondContact O-CA 3.2Å; K300-H314 HydrophobicContact CB-CB 3.8Å; K300-H314 HydrophobicContact CD-CB 4.14Å; K300-H314 PolarHBondContact O-N 2.75Å; K300-D315 WeakPolarHBondContact CD-OD2 3.48Å; K300-D315 WeakPolarHBondContact CE-OD2 3.4Å; K300-D315 IonicContact NZ-OD2 3.99Å; K300-D315 PolarHBondContact NZ-OD2 2.97Å
301	E	98	Very high	95.2	Very high	13 Å²	13	59.5 Å²	59.5	6%	0.061	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	130.7	-175.3	-170	176.6	100.5	0	0	110.2	C283 R284 S286 V299 I311 Y313	C283-E301 CarbonylContact C-O 3.46Å; C283-E301 VanDerWaalsContact CA-O 3.22Å; C283-E301 WeakPolarHBondContact CA-O 3.37Å; R284-E301 HydrophobicContact CG-CB 4.14Å; R284-E301 IonicContact CZ-OE1 3.43Å; R284-E301 PolarHBondContact N-O 3.36Å; R284-E301 IonicContact NE-OE1 3.38Å; R284-E301 PolarHBondContact NE-OE1 3.31Å; R284-E301 IonicContact NH2-OE1 2.72Å; R284-E301 PolarHBondContact NH2-OE1 2.96Å; R284-E301 PolarHBondContact O-N 2.9Å; S286-E301 WeakPolarHBondContact CB-OE2 3.43Å; S286-E301 PolarHBondContact OG-OE2 3.43Å; V299-E301 PolarHBondContact O-N 3.2Å; E301-I311 HydrophobicContact CG-CG2 3.44Å; E301-I311 VanDerWaalsContact CG-CG2 3.44Å; E301-Y313 HydrophobicContact CB-CD1 4.1Å; E301-Y313 HydrophobicContact CB-CE1 3.9Å; E301-Y313 HydrophobicContact CG-CD1 4.06Å; E301-Y313 HydrophobicContact CG-CE1 3.51Å; E301-Y313 WeakPolarHBondContact OE2-CE1 3.35Å; E301-Y313 PolarHBondContact OE2-OH 3.48Å; E301-Y313 VanDerWaalsContact OE2-OH 3.11Å
302	E	97.8	Very high	95.4	Very high	52 Å²	52	59.3 Å²	59.3	24%	0.243	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	123.4	177	170.2	179.7	-158.8	0	0	109.5	L304 I311 R312 H314	E302-L304 HydrophobicContact CG-CD2 3.87Å; E302-L304 PolarHBondContact O-N 2.89Å; E302-I311 CarbonylContact O-C 3.53Å; E302-I311 WeakPolarHBondContact O-CA 3.28Å; E302-R312 HydrophobicContact CB-CB 4.36Å; E302-R312 PolarHBondContact N-O 2.86Å; E302-R312 PolarHBondContact O-N 3.1Å; E302-H314 IonicContact OE2-CD2 3.56Å; E302-H314 IonicContact OE2-CE1 3.36Å; E302-H314 PolarHBondContact OE2-CE1 3.16Å; E302-H314 IonicContact OE2-NE2 3.56Å; E302-H314 PolarHBondContact OE2-NE2 2.84Å
303	E	97.1	Very high	95.6	Very high	23 Å²	23	55.2 Å²	55.2	11%	0.107	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	116.5	172.2	-69.7	172.8	162.6	0	0	110	L281 S282 R284 K309	L281-E303 HydrophobicContact CB-CB 4.41Å; L281-E303 WeakPolarHBondContact CB-O 3.45Å; L281-E303 HydrophobicContact CD2-CB 4.14Å; S282-E303 PolarHBondContact N-OE2 3.37Å; S282-E303 PolarHBondContact O-N 3.47Å; S282-E303 PolarHBondContact OG-OE2 2.64Å; R284-E303 IonicContact CZ-OE1 2.87Å; R284-E303 VanDerWaalsContact CZ-OE1 3.27Å; R284-E303 IonicContact NH1-OE1 3.63Å; R284-E303 PolarHBondContact NH1-OE1 3.41Å; R284-E303 IonicContact NH1-OE2 3.51Å; R284-E303 PolarHBondContact NH1-OE2 2.81Å; R284-E303 IonicContact NH2-OE1 2.67Å; R284-E303 PolarHBondContact NH2-OE1 3.1Å; E303-K309 IonicContact OE1-NZ 3.88Å
304	L	96.3	Very high	95.9	Very high	8 Å²	8	50 Å²	50	4%	0.042	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-26.9	176.1	-59.1	-178	0	0	0	112.3	R273 L281 E302 I310 R312 V431	R273-L304 WeakPolarHBondContact CD-O 3.39Å; L281-L304 WeakPolarHBondContact CD1-O 3.35Å; E302-L304 HydrophobicContact CG-CD2 3.87Å; E302-L304 PolarHBondContact O-N 2.89Å; L304-I310 WeakPolarHBondContact CA-O 3.43Å; L304-I310 HydrophobicContact CB-CB 4.44Å; L304-I310 HydrophobicContact CB-CG2 4.21Å; L304-I310 WeakPolarHBondContact CB-O 3.27Å; L304-I310 HydrophobicContact CD1-CG2 4.35Å; L304-I310 PolarHBondContact N-O 2.95Å; L304-R312 HydrophobicContact CD1-CB 3.83Å; L304-R312 HydrophobicContact CD2-CB 4.32Å; L304-R312 HydrophobicContact CG-CB 4Å; L304-V431 HydrophobicContact CD1-CB 4.2Å; L304-V431 HydrophobicContact CD1-CG1 3.51Å; L304-V431 HydrophobicContact CD1-CG2 3.62Å
305	W	96	Very high	96	Very high	8 Å²	8	54.2 Å²	54.2	3%	0.03	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	148.2	175.4	-164.1	-115.3	0	0	0	109.3	E272 R273 R277 E307 P308 K309 I310 V427 V429	E272-W305 HydrophobicContact CB-CH2 3.82Å; E272-W305 HydrophobicContact CB-CZ3 4.19Å; R273-W305 HydrophobicContact CG-CE3 3.83Å; R273-W305 HydrophobicContact CG-CZ3 3.85Å; R277-W305 VanDerWaalsContact CZ-CH2 3.48Å; R277-W305 VanDerWaalsContact NH1-CH2 3.32Å; W305-E307 VanDerWaalsContact CD1-C 3.43Å; W305-E307 VanDerWaalsContact NE1-C 3.33Å; W305-E307 PolarHBondContact NE1-O 3.38Å; W305-P308 CarbonylContact C-O 3.58Å; W305-K309 WeakPolarHBondContact O-CA 3.4Å; W305-I310 HydrophobicContact CB-CB 3.81Å; W305-I310 HydrophobicContact CB-CD1 3.75Å; W305-I310 HydrophobicContact CB-CG1 3.91Å; W305-I310 HydrophobicContact CG-CD1 4.19Å; W305-I310 PolarHBondContact N-O 3.24Å; W305-I310 PolarHBondContact O-N 3.21Å; W305-V427 HydrophobicContact CD2-CB 4.46Å; W305-V427 HydrophobicContact CZ2-CB 3.76Å; W305-V427 HydrophobicContact CZ2-CG1 4.21Å; W305-V429 HydrophobicContact CB-CG2 4.49Å; W305-V429 HydrophobicContact CD2-CG2 3.76Å; W305-V429 HydrophobicContact CE3-CG2 3.31Å; W305-V429 HydrophobicContact CG-CG2 4.28Å; W305-V429 HydrophobicContact CH2-CG2 4.34Å; W305-V429 HydrophobicContact CZ3-CG2 3.62Å
306	D	92.7	Very high	96.1	Very high	66 Å²	66	48.7 Å²	48.7	35%	0.353	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	-29	-174	56.3	-19.4	0	0	0	113.7	R277 L281 P308	R277-D306 IonicContact CZ-OD1 2.72Å; R277-D306 IonicContact NE-OD1 3.86Å; R277-D306 PolarHBondContact NE-OD1 2.96Å; R277-D306 IonicContact NE-OD2 3.47Å; R277-D306 IonicContact NH2-OD1 3.38Å; R277-D306 PolarHBondContact NH2-OD1 3.46Å; R277-D306 IonicContact NH2-OD2 3.78Å; L281-D306 HydrophobicContact CD2-CB 4.08Å; D306-P308 CarbonylContact C-O 3.55Å
307	E	90.6	Very high	96.5	Very high	116 Å²	116	38.7 Å²	38.7	54%	0.542	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-145.4	94.3	-177.3	-158.2	-170.8	-125.3	0	0	113.2	W305 K453	W305-E307 VanDerWaalsContact CD1-C 3.43Å; W305-E307 VanDerWaalsContact NE1-C 3.33Å; W305-E307 PolarHBondContact NE1-O 3.38Å; E307-K453 IonicContact OE2-NZ 2.97Å; E307-K453 PolarHBondContact OE2-NZ 3.46Å
308	P	93.1	Very high	96.7	Very high	12 Å²	12	38 Å²	38	8%	0.078	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	cis	-70.1	164.2	0.7	27.1	-34.3	0	0	0	112.6	W305 D306 I310 D451 K453 T454	W305-P308 CarbonylContact C-O 3.58Å; D306-P308 CarbonylContact C-O 3.55Å; P308-I310 PolarHBondContact O-N 3.46Å; P308-I310 VanDerWaalsContact O-N 3.08Å; P308-D451 WeakPolarHBondContact CB-OD2 3.5Å; P308-K453 VanDerWaalsContact CD-CB 3.4Å; P308-K453 HydrophobicContact CG-CB 4.06Å; P308-T454 HydrophobicContact CB-CG2 4.34Å; P308-T454 HydrophobicContact CG-CG2 3.84Å
309	K	94.6	Very high	96.7	Very high	99 Å²	99	40.5 Å²	40.5	43%	0.43	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	115.4	170.3	-69.4	-166.6	177.5	-164.1	0	109.9	E303 W305 I311	E303-K309 IonicContact OE1-NZ 3.88Å; W305-K309 WeakPolarHBondContact O-CA 3.4Å; K309-I311 HydrophobicContact CB-CD1 4.21Å; K309-I311 HydrophobicContact CB-CG1 4.14Å; K309-I311 HydrophobicContact CD-CD1 4.31Å
310	I	97.7	Very high	96.8	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	113.9	165.7	-58.3	169.1	0	0	0	105.5	L304 W305 P308 F424 V427 V431 V439 W441	L304-I310 WeakPolarHBondContact CA-O 3.43Å; L304-I310 HydrophobicContact CB-CB 4.44Å; L304-I310 HydrophobicContact CB-CG2 4.21Å; L304-I310 WeakPolarHBondContact CB-O 3.27Å; L304-I310 HydrophobicContact CD1-CG2 4.35Å; L304-I310 PolarHBondContact N-O 2.95Å; W305-I310 HydrophobicContact CB-CB 3.81Å; W305-I310 HydrophobicContact CB-CD1 3.75Å; W305-I310 HydrophobicContact CB-CG1 3.91Å; W305-I310 HydrophobicContact CG-CD1 4.19Å; W305-I310 PolarHBondContact N-O 3.24Å; W305-I310 PolarHBondContact O-N 3.21Å; P308-I310 PolarHBondContact O-N 3.46Å; P308-I310 VanDerWaalsContact O-N 3.08Å; I310-F424 HydrophobicContact CD1-CB 4.1Å; I310-F424 HydrophobicContact CD1-CD1 3.63Å; I310-F424 HydrophobicContact CD1-CD2 3.64Å; I310-F424 HydrophobicContact CD1-CE1 3.88Å; I310-F424 HydrophobicContact CD1-CE2 3.89Å; I310-F424 HydrophobicContact CD1-CG 3.51Å; I310-F424 HydrophobicContact CD1-CZ 4.01Å; I310-F424 HydrophobicContact CG1-CD1 4.36Å; I310-F424 HydrophobicContact CG1-CE1 4.15Å; I310-F424 HydrophobicContact CG1-CE2 4.43Å; I310-F424 HydrophobicContact CG1-CZ 4.19Å; I310-F424 HydrophobicContact CG2-CD2 4.49Å; I310-F424 HydrophobicContact CG2-CE2 3.78Å; I310-F424 HydrophobicContact CG2-CZ 3.87Å; I310-V427 HydrophobicContact CD1-CG2 4.15Å; I310-V431 HydrophobicContact CG2-CG2 4.46Å; I310-V439 HydrophobicContact CG2-CG1 3.75Å; I310-W441 HydrophobicContact CG1-CB 4.45Å
311	I	98	Very high	96.8	Very high	9 Å²	9	41.9 Å²	41.9	5%	0.046	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	131.1	-170.6	-56.8	178	0	0	0	108.5	E301 E302 K309 Y313 V439 F440	E301-I311 HydrophobicContact CG-CG2 3.44Å; E301-I311 VanDerWaalsContact CG-CG2 3.44Å; E302-I311 CarbonylContact O-C 3.53Å; E302-I311 WeakPolarHBondContact O-CA 3.28Å; K309-I311 HydrophobicContact CB-CD1 4.21Å; K309-I311 HydrophobicContact CB-CG1 4.14Å; K309-I311 HydrophobicContact CD-CD1 4.31Å; I311-Y313 HydrophobicContact CB-CE2 4.35Å; I311-Y313 HydrophobicContact CG2-CD1 4.45Å; I311-Y313 HydrophobicContact CG2-CD2 4.28Å; I311-Y313 HydrophobicContact CG2-CE1 4.04Å; I311-Y313 HydrophobicContact CG2-CE2 3.83Å; I311-V439 CarbonylContact O-C 3.52Å; I311-V439 VanDerWaalsContact O-CA 3.31Å; I311-V439 WeakPolarHBondContact O-CA 3.25Å; I311-F440 HydrophobicContact CD1-CD1 4.37Å; I311-F440 PolarHBondContact N-O 3.01Å; I311-F440 PolarHBondContact O-N 2.9Å
312	R	98.5	Very high	96.8	Very high	28 Å²	28	41.2 Å²	41.2	11%	0.106	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	130.8	165	-179.9	179.4	-74.1	-178	-13	109.7	E302 L304 H314 K432 E434 A438	E302-R312 HydrophobicContact CB-CB 4.36Å; E302-R312 PolarHBondContact N-O 2.86Å; E302-R312 PolarHBondContact O-N 3.1Å; L304-R312 HydrophobicContact CD1-CB 3.83Å; L304-R312 HydrophobicContact CD2-CB 4.32Å; L304-R312 HydrophobicContact CG-CB 4Å; R312-H314 WeakPolarHBondContact CD-CE1 3.39Å; R312-H314 WeakPolarHBondContact CD-NE2 3.33Å; R312-K432 PolarHBondContact NH2-O 3.36Å; R312-E434 IonicContact CZ-OE2 3.64Å; R312-E434 IonicContact NE-OE2 3.96Å; R312-E434 IonicContact NH1-OE2 3.83Å; R312-E434 PolarHBondContact NH1-OE2 2.94Å; R312-A438 CarbonylContact C-O 3.44Å; R312-A438 VanDerWaalsContact CA-O 3.27Å; R312-A438 WeakPolarHBondContact CA-O 3.46Å
313	Y	98.5	Very high	96.8	Very high	8 Å²	8	42.1 Å²	42.1	3%	0.031	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	124.5	167	-65.2	-73.1	0	0	0	109.1	V299 K300 E301 I311 V316 I370 F409 S437 A438 F440	V299-Y313 HydrophobicContact CB-CD1 4.48Å; V299-Y313 HydrophobicContact CG1-CD1 3.84Å; V299-Y313 HydrophobicContact CG1-CE1 3.9Å; V299-Y313 HydrophobicContact CG2-CD1 3.77Å; V299-Y313 HydrophobicContact CG2-CG 4.36Å; K300-Y313 CarbonylContact O-C 3.59Å; K300-Y313 VanDerWaalsContact O-CA 3.32Å; K300-Y313 WeakPolarHBondContact O-CA 3.2Å; E301-Y313 HydrophobicContact CB-CD1 4.1Å; E301-Y313 HydrophobicContact CB-CE1 3.9Å; E301-Y313 HydrophobicContact CG-CD1 4.06Å; E301-Y313 HydrophobicContact CG-CE1 3.51Å; E301-Y313 WeakPolarHBondContact OE2-CE1 3.35Å; E301-Y313 PolarHBondContact OE2-OH 3.48Å; E301-Y313 VanDerWaalsContact OE2-OH 3.11Å; I311-Y313 HydrophobicContact CB-CE2 4.35Å; I311-Y313 HydrophobicContact CG2-CD1 4.45Å; I311-Y313 HydrophobicContact CG2-CD2 4.28Å; I311-Y313 HydrophobicContact CG2-CE1 4.04Å; I311-Y313 HydrophobicContact CG2-CE2 3.83Å; Y313-V316 HydrophobicContact CG-CG1 4.38Å; Y313-I370 HydrophobicContact CD1-CG2 3.69Å; Y313-I370 HydrophobicContact CD2-CG2 3.8Å; Y313-I370 HydrophobicContact CE1-CG2 3.45Å; Y313-I370 VanDerWaalsContact CE1-CG2 3.45Å; Y313-I370 HydrophobicContact CE2-CG2 3.59Å; Y313-I370 HydrophobicContact CG-CG2 3.85Å; Y313-I370 VanDerWaalsContact CZ-CG2 3.43Å; Y313-F409 AromaticContact CD2-CE2 3.76Å; Y313-F409 HydrophobicContact CD2-CE2 3.76Å; Y313-F409 HydrophobicContact CD2-CZ 4.2Å; Y313-F409 HydrophobicContact CE2-CE2 4.08Å; Y313-S437 CarbonylContact O-C 3.56Å; Y313-S437 WeakPolarHBondContact O-CA 3.32Å; Y313-S437 VanDerWaalsContact O-CB 3.31Å; Y313-S437 WeakPolarHBondContact O-CB 3.38Å; Y313-A438 PolarHBondContact N-O 3.22Å; Y313-A438 PolarHBondContact O-N 2.69Å; Y313-F440 HydrophobicContact CD2-CB 4.12Å; Y313-F440 HydrophobicContact CE2-CB 3.71Å; Y313-F440 HydrophobicContact CE2-CD1 4.35Å; Y313-F440 HydrophobicContact CE2-CG 4.2Å
314	H	98.3	Very high	96.9	Very high	36 Å²	36	43.1 Å²	43.1	17%	0.167	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	148	179.1	-63.9	-88	0	0	0	111	K300 E302 R312 V316 E434	K300-H314 HydrophobicContact CB-CB 3.8Å; K300-H314 HydrophobicContact CD-CB 4.14Å; K300-H314 PolarHBondContact O-N 2.75Å; E302-H314 IonicContact OE2-CD2 3.56Å; E302-H314 IonicContact OE2-CE1 3.36Å; E302-H314 PolarHBondContact OE2-CE1 3.16Å; E302-H314 IonicContact OE2-NE2 3.56Å; E302-H314 PolarHBondContact OE2-NE2 2.84Å; R312-H314 WeakPolarHBondContact CD-CE1 3.39Å; R312-H314 WeakPolarHBondContact CD-NE2 3.33Å; H314-V316 VanDerWaalsContact C-N 3.31Å; H314-V316 PolarHBondContact O-N 3.47Å; H314-E434 IonicContact CE1-OE1 2.94Å; H314-E434 IonicContact CE1-OE2 2.6Å; H314-E434 PolarHBondContact CE1-OE2 3.42Å; H314-E434 IonicContact ND1-OE1 3.88Å; H314-E434 PolarHBondContact ND1-OE1 3.06Å; H314-E434 IonicContact ND1-OE2 3.73Å
315	D	97.2	Very high	97	Very high	106 Å²	106	42.8 Å²	42.8	57%	0.567	22%	0.223	S	C	*	.	S	Bend	trans	53	41.3	175.4	-51.2	-45	0	0	0	114.2	K300 G436	K300-D315 WeakPolarHBondContact CD-OD2 3.48Å; K300-D315 WeakPolarHBondContact CE-OD2 3.4Å; K300-D315 IonicContact NZ-OD2 3.99Å; K300-D315 PolarHBondContact NZ-OD2 2.97Å; D315-G436 CarbonylContact C-O 3.56Å
316	V	97.4	Very high	97	Very high	10 Å²	10	43.4 Å²	43.4	6%	0.061	23%	0.227	C	C	.	.			trans	-79.6	-22.5	-178	-63.4	0	0	0	0	113.6	V299 Y313 H314 R366 I370 G436 A438	V299-V316 HydrophobicContact CG2-CG1 4.14Å; Y313-V316 HydrophobicContact CG-CG1 4.38Å; H314-V316 VanDerWaalsContact C-N 3.31Å; H314-V316 PolarHBondContact O-N 3.47Å; V316-R366 WeakPolarHBondContact O-CD 3.39Å; V316-R366 PolarHBondContact O-NH1 3.26Å; V316-I370 HydrophobicContact CB-CD1 4.27Å; V316-I370 HydrophobicContact CG1-CD1 3.84Å; V316-G436 WeakPolarHBondContact CG2-O 3.49Å; V316-G436 PolarHBondContact N-O 3.22Å; V316-A438 HydrophobicContact CG2-CB 3.7Å
317	I	97.8	Very high	97.1	Very high	9 Å²	9	45 Å²	45	5%	0.046	24%	0.235	C	C	.	.	S	Bend	trans	-138.5	139.1	179.6	-170.8	178.4	0	0	0	109.3	E321 I322 L325 I363 I411 G436	I317-E321 HydrophobicContact CD1-CB 3.82Å; I317-E321 HydrophobicContact CG1-CB 3.42Å; I317-E321 VanDerWaalsContact CG1-CB 3.42Å; I317-E321 HydrophobicContact CG1-CG 4.39Å; I317-E321 WeakPolarHBondContact CG1-OE2 3.18Å; I317-I322 HydrophobicContact CD1-CG1 4.03Å; I317-I322 HydrophobicContact CG1-CG1 4.18Å; I317-I322 HydrophobicContact CG2-CD1 4.04Å; I317-I322 HydrophobicContact CG2-CG1 3.87Å; I317-L325 HydrophobicContact CD1-CD1 3.73Å; I317-I363 HydrophobicContact CD1-CD1 3.43Å; I317-I363 VanDerWaalsContact CD1-CD1 3.43Å; I317-I363 HydrophobicContact CD1-CG1 4.18Å; I317-I363 HydrophobicContact CG1-CD1 4.16Å; I317-I363 HydrophobicContact CG1-CG1 4.48Å; I317-I411 HydrophobicContact CG2-CG2 3.74Å; I317-G436 PolarHBondContact N-O 3.37Å
318	S	97.9	Very high	97.4	Very high	53 Å²	53	43 Å²	43	37%	0.371	23%	0.227	S	C	.	.			trans	-83.5	160.3	-179.9	63.7	0	0	0	0	112.5	T320 E321 I322	S318-T320 PolarHBondContact O-N 3.1Å; S318-E321 PolarHBondContact N-OE2 2.95Å; S318-E321 PolarHBondContact O-N 3.13Å; S318-E321 VanDerWaalsContact O-N 3.08Å; S318-E321 VanDerWaalsContact OG-CG 3.3Å; S318-E321 WeakPolarHBondContact OG-CG 3.4Å; S318-E321 PolarHBondContact OG-N 2.96Å; S318-E321 PolarHBondContact OG-OE2 3.48Å; S318-I322 WeakPolarHBondContact O-CG1 3.43Å; S318-I322 PolarHBondContact O-N 3.14Å
319	D	98.4	Very high	97.4	Very high	97 Å²	97	42.4 Å²	42.4	52%	0.519	22%	0.224	S	C	.	.	H	α-helix	trans	-54.4	-38.1	173.9	-74.3	-26.4	0	0	0	113.1	I322 E323 K435	D319-I322 PolarHBondContact O-N 3.18Å; D319-E323 WeakPolarHBondContact O-CG 3.37Å; D319-E323 PolarHBondContact O-N 3.2Å; D319-K435 WeakPolarHBondContact OD1-CE 3.45Å; D319-K435 IonicContact OD1-NZ 3.11Å; D319-K435 PolarHBondContact OD1-NZ 3.29Å; D319-K435 IonicContact OD2-NZ 3.15Å
320	T	98.5	Very high	97.3	Very high	107 Å²	107	41.3 Å²	41.3	66%	0.656	22%	0.217	S	C	*	.	H	α-helix	trans	-66.4	-40.1	178.6	-53.8	0	0	0	0	111.8	S318 T324	S318-T320 PolarHBondContact O-N 3.1Å; T320-T324 WeakPolarHBondContact O-CB 3.41Å; T320-T324 PolarHBondContact O-N 3.29Å; T320-T324 PolarHBondContact O-OG1 2.91Å
321	E	98.6	Very high	96.9	Very high	19 Å²	19	46.4 Å²	46.4	9%	0.089	25%	0.25	C	C	.	.	H	α-helix	trans	-69	-40.2	176.2	-69.9	174.3	136.4	0	0	111	I317 S318 T324 L325 T359 I363 R366	I317-E321 HydrophobicContact CD1-CB 3.82Å; I317-E321 HydrophobicContact CG1-CB 3.42Å; I317-E321 VanDerWaalsContact CG1-CB 3.42Å; I317-E321 HydrophobicContact CG1-CG 4.39Å; I317-E321 WeakPolarHBondContact CG1-OE2 3.18Å; S318-E321 PolarHBondContact N-OE2 2.95Å; S318-E321 PolarHBondContact O-N 3.13Å; S318-E321 VanDerWaalsContact O-N 3.08Å; S318-E321 VanDerWaalsContact OG-CG 3.3Å; S318-E321 WeakPolarHBondContact OG-CG 3.4Å; S318-E321 PolarHBondContact OG-N 2.96Å; S318-E321 PolarHBondContact OG-OE2 3.48Å; E321-T324 PolarHBondContact O-N 3.49Å; E321-L325 WeakPolarHBondContact O-CG 3.47Å; E321-L325 PolarHBondContact O-N 3.25Å; E321-T359 HydrophobicContact CB-CG2 3.94Å; E321-T359 HydrophobicContact CG-CG2 3.89Å; E321-I363 HydrophobicContact CB-CD1 4.44Å; E321-R366 IonicContact OE1-CZ 2.83Å; E321-R366 IonicContact OE1-NH1 2.86Å; E321-R366 PolarHBondContact OE1-NH1 3.22Å; E321-R366 IonicContact OE1-NH2 2.86Å; E321-R366 PolarHBondContact OE1-NH2 3.3Å; E321-R366 IonicContact OE2-CZ 2.72Å; E321-R366 IonicContact OE2-NH1 2.61Å; E321-R366 PolarHBondContact OE2-NH1 2.92Å; E321-R366 IonicContact OE2-NH2 2.95Å; E321-R366 PolarHBondContact OE2-NH2 3.47Å
322	I	98.5	Very high	96.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-56.9	-51.4	174.1	-72.9	168.9	0	0	0	111.1	I317 S318 D319 T324 L325 K326 M413 K435	I317-I322 HydrophobicContact CD1-CG1 4.03Å; I317-I322 HydrophobicContact CG1-CG1 4.18Å; I317-I322 HydrophobicContact CG2-CD1 4.04Å; I317-I322 HydrophobicContact CG2-CG1 3.87Å; S318-I322 WeakPolarHBondContact O-CG1 3.43Å; S318-I322 PolarHBondContact O-N 3.14Å; D319-I322 PolarHBondContact O-N 3.18Å; I322-T324 VanDerWaalsContact C-N 3.33Å; I322-T324 PolarHBondContact O-N 3.01Å; I322-L325 PolarHBondContact O-N 3.27Å; I322-K326 HydrophobicContact CG2-CD 4.29Å; I322-K326 WeakPolarHBondContact O-CG 3.44Å; I322-K326 PolarHBondContact O-N 2.88Å; I322-M413 HydrophobicContact CG1-CB 4.34Å; I322-M413 HydrophobicContact CG1-CG 4.29Å; I322-M413 HydrophobicContact CG2-CB 4Å; I322-M413 WeakPolarHBondContact CG2-O 3.49Å; I322-K435 HydrophobicContact CD1-CD 4.41Å; I322-K435 HydrophobicContact CD1-CG 3.8Å
323	E	97.9	Very high	95.9	Very high	71 Å²	71	50.4 Å²	50.4	33%	0.332	27%	0.27	S	S	.	.	H	α-helix	trans	-65.7	-38.2	-179.5	-66.1	-49.8	125.1	0	0	111.5	D319 L325 K326 D327 R330	D319-E323 WeakPolarHBondContact O-CG 3.37Å; D319-E323 PolarHBondContact O-N 3.2Å; E323-L325 VanDerWaalsContact C-N 3.31Å; E323-L325 PolarHBondContact O-N 3.42Å; E323-K326 PolarHBondContact O-N 3.12Å; E323-K326 IonicContact OE1-NZ 2.94Å; E323-K326 PolarHBondContact OE1-NZ 3.15Å; E323-D327 WeakPolarHBondContact O-CB 3.46Å; E323-D327 PolarHBondContact O-N 2.91Å; E323-R330 IonicContact OE2-NH2 2.83Å
324	T	98.1	Very high	95.3	Very high	44 Å²	44	54.2 Å²	54.2	27%	0.27	29%	0.294	S	S	.	.	H	α-helix	trans	-59.2	-42.3	173.3	-54.5	0	0	0	0	111.9	T320 E321 I322 D327 I328 T359	T320-T324 WeakPolarHBondContact O-CB 3.41Å; T320-T324 PolarHBondContact O-N 3.29Å; T320-T324 PolarHBondContact O-OG1 2.91Å; E321-T324 PolarHBondContact O-N 3.49Å; I322-T324 VanDerWaalsContact C-N 3.33Å; I322-T324 PolarHBondContact O-N 3.01Å; T324-D327 PolarHBondContact O-N 3.21Å; T324-I328 HydrophobicContact CG2-CD1 3.91Å; T324-I328 WeakPolarHBondContact O-CD1 3.43Å; T324-I328 VanDerWaalsContact O-CG1 3.25Å; T324-I328 WeakPolarHBondContact O-CG1 3.38Å; T324-I328 PolarHBondContact O-N 3.06Å; T324-I328 VanDerWaalsContact O-N 3.15Å; T324-T359 HydrophobicContact CG2-CG2 4.33Å
325	L	97.9	Very high	94.5	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-65.2	-41.4	177.3	-71	-173.6	0	0	0	112	I317 E321 I322 E323 A329 L354 T359 V360 I363 L381 M413	I317-L325 HydrophobicContact CD1-CD1 3.73Å; E321-L325 WeakPolarHBondContact O-CG 3.47Å; E321-L325 PolarHBondContact O-N 3.25Å; I322-L325 PolarHBondContact O-N 3.27Å; E323-L325 VanDerWaalsContact C-N 3.31Å; E323-L325 PolarHBondContact O-N 3.42Å; L325-A329 WeakPolarHBondContact O-CB 3.41Å; L325-A329 PolarHBondContact O-N 3.41Å; L325-L354 HydrophobicContact CD2-CD1 3.84Å; L325-T359 HydrophobicContact CD2-CG2 4.5Å; L325-V360 HydrophobicContact CD2-CG2 3.75Å; L325-I363 HydrophobicContact CD1-CD1 3.65Å; L325-I363 HydrophobicContact CD2-CD1 4.07Å; L325-I363 HydrophobicContact CG-CD1 4.01Å; L325-L381 HydrophobicContact CD1-CD2 3.87Å; L325-L381 HydrophobicContact CD2-CD2 4.03Å; L325-M413 HydrophobicContact CB-SD 3.95Å; L325-M413 HydrophobicContact CD1-SD 3.54Å; L325-M413 VanDerWaalsContact CD1-SD 3.54Å; L325-M413 HydrophobicContact CG-SD 4.41Å
326	K	96.5	Very high	93.3	Very high	22 Å²	22	49 Å²	49	10%	0.096	27%	0.265	C	S	.	.	H	α-helix	trans	-62.9	-45.3	175.4	-70.2	174.7	-175.7	166.3	0	111.3	I322 E323 I328 A329 R330 W467	I322-K326 HydrophobicContact CG2-CD 4.29Å; I322-K326 WeakPolarHBondContact O-CG 3.44Å; I322-K326 PolarHBondContact O-N 2.88Å; E323-K326 PolarHBondContact O-N 3.12Å; E323-K326 IonicContact OE1-NZ 2.94Å; E323-K326 PolarHBondContact OE1-NZ 3.15Å; K326-I328 VanDerWaalsContact C-N 3.32Å; K326-I328 PolarHBondContact O-N 3.19Å; K326-A329 PolarHBondContact O-N 2.91Å; K326-A329 VanDerWaalsContact O-N 3.09Å; K326-R330 WeakPolarHBondContact O-CG 3.23Å; K326-R330 PolarHBondContact O-N 2.82Å; K326-W467 HydrophobicContact CD-CD2 4.47Å; K326-W467 HydrophobicContact CG-CD2 4.14Å; K326-W467 HydrophobicContact CG-CE3 4.09Å; K326-W467 HydrophobicContact CG-CH2 4.35Å; K326-W467 HydrophobicContact CG-CZ2 4.42Å; K326-W467 HydrophobicContact CG-CZ3 4.2Å
327	D	95.9	Very high	91.9	Very high	98 Å²	98	53.6 Å²	53.6	52%	0.524	29%	0.286	S	S	.	.	H	α-helix	trans	-60.6	-40.6	-178.9	-68.8	-15.7	0	0	0	112.3	E323 T324 R330 P331	E323-D327 WeakPolarHBondContact O-CB 3.46Å; E323-D327 PolarHBondContact O-N 2.91Å; T324-D327 PolarHBondContact O-N 3.21Å; D327-R330 IonicContact OD1-CZ 2.7Å; D327-R330 IonicContact OD1-NH1 3.85Å; D327-R330 PolarHBondContact OD1-NH1 3.11Å; D327-P331 WeakPolarHBondContact O-CD 3.44Å
328	I	95.6	Very high	89.9	Confident	75 Å²	75	54.8 Å²	54.8	39%	0.385	29%	0.294	S	S	.	.	H	α-helix	trans	-70.2	-38.2	175	-60.4	163.6	0	0	0	110.6	T324 K326 P331 L354	T324-I328 HydrophobicContact CG2-CD1 3.91Å; T324-I328 WeakPolarHBondContact O-CD1 3.43Å; T324-I328 VanDerWaalsContact O-CG1 3.25Å; T324-I328 WeakPolarHBondContact O-CG1 3.38Å; T324-I328 PolarHBondContact O-N 3.06Å; T324-I328 VanDerWaalsContact O-N 3.15Å; K326-I328 VanDerWaalsContact C-N 3.32Å; K326-I328 PolarHBondContact O-N 3.19Å; I328-P331 WeakPolarHBondContact O-CD 3.33Å; I328-L354 HydrophobicContact CG2-CD2 3.87Å
329	A	94.6	Very high	87.6	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-75.5	-42.7	-174.3	0	0	0	0	0	114	L325 K326 P331 E332 L333 V352 L354 V383 W467	L325-A329 WeakPolarHBondContact O-CB 3.41Å; L325-A329 PolarHBondContact O-N 3.41Å; K326-A329 PolarHBondContact O-N 2.91Å; K326-A329 VanDerWaalsContact O-N 3.09Å; A329-P331 VanDerWaalsContact C-CD 3.46Å; A329-E332 CarbonylContact O-C 3.55Å; A329-E332 PolarHBondContact O-N 3.19Å; A329-L333 WeakPolarHBondContact O-CG 3.46Å; A329-L333 PolarHBondContact O-N 2.97Å; A329-V352 HydrophobicContact CB-CG1 3.66Å; A329-L354 HydrophobicContact CB-CD2 4.39Å; A329-V383 HydrophobicContact CB-CB 4.16Å; A329-V383 HydrophobicContact CB-CG1 3.68Å; A329-W467 HydrophobicContact CB-CZ3 4.4Å
330	R	92.3	Very high	84.9	Confident	75 Å²	75	60.7 Å²	60.7	28%	0.283	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-45.5	-49.1	-174.3	-78.6	-172.9	-164.4	103.4	-2.1	115	D28 E323 K326 D327 E332 W467	D28-R330 IonicContact OD1-NE 3.61Å; D28-R330 PolarHBondContact OD1-NE 3.45Å; D28-R330 VanDerWaalsContact OD1-NE 3.16Å; D28-R330 WeakPolarHBondContact OD2-CD 3.42Å; D28-R330 WeakPolarHBondContact OD2-CG 3.44Å; D28-R330 IonicContact OD2-NE 3.54Å; E323-R330 IonicContact OE2-NH2 2.83Å; K326-R330 WeakPolarHBondContact O-CG 3.23Å; K326-R330 PolarHBondContact O-N 2.82Å; D327-R330 IonicContact OD1-CZ 2.7Å; D327-R330 IonicContact OD1-NH1 3.85Å; D327-R330 PolarHBondContact OD1-NH1 3.11Å; R330-E332 PolarHBondContact O-N 3.37Å; R330-W467 HydrophobicContact CG-CH2 4.21Å
331	P	88.7	Confident	82.3	Confident	107 Å²	107	57.4 Å²	57.4	70%	0.695	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-70.7	-16.3	-178.3	28	-36.1	0	0	0	114.3	D327 I328 A329	D327-P331 WeakPolarHBondContact O-CD 3.44Å; I328-P331 WeakPolarHBondContact O-CD 3.33Å; A329-P331 VanDerWaalsContact C-CD 3.46Å
332	E	88.8	Confident	79.7	Confident	112 Å²	112	60.4 Å²	60.4	52%	0.523	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-113.5	0.7	-174.8	-65.8	-174.9	-167.2	0	0	113.1	A329 R330 T334 V352	A329-E332 CarbonylContact O-C 3.55Å; A329-E332 PolarHBondContact O-N 3.19Å; R330-E332 PolarHBondContact O-N 3.37Å; E332-T334 PolarHBondContact O-N 3.39Å; E332-V352 HydrophobicContact CB-CB 4.32Å; E332-V352 HydrophobicContact CB-CG2 3.62Å
333	L	87	Confident	77.6	Confident	10 Å²	10	65.2 Å²	65.2	5%	0.052	35%	0.353	C	S	.	.			trans	-62.8	123.1	176.7	-80.9	179.4	0	0	0	110.5	A329 Q350 V352 N385 W467	A329-L333 WeakPolarHBondContact O-CG 3.46Å; A329-L333 PolarHBondContact O-N 2.97Å; L333-Q350 HydrophobicContact CB-CB 4.1Å; L333-Q350 HydrophobicContact CD2-CB 4.23Å; L333-V352 HydrophobicContact CD2-CG1 4.14Å; L333-N385 HydrophobicContact CD1-CB 4.17Å; L333-W467 HydrophobicContact CD1-CH2 3.62Å; L333-W467 HydrophobicContact CD1-CZ3 4.06Å
334	T	84.9	Confident	75.6	Confident	88 Å²	88	63 Å²	63	54%	0.54	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	160.6	176.2	53.1	0	0	0	0	110.5	E332 S336 Q350 S351	E332-T334 PolarHBondContact O-N 3.39Å; T334-S336 PolarHBondContact O-N 3.18Å; T334-Q350 CarbonylContact O-C 3.48Å; T334-Q350 WeakPolarHBondContact O-CA 3.26Å; T334-Q350 WeakPolarHBondContact O-CB 3.49Å; T334-S351 PolarHBondContact N-O 3.13Å; T334-S351 PolarHBondContact O-N 3.05Å
335	R	81.1	Confident	73.8	Confident	30 Å²	30	66.7 Å²	66.7	11%	0.113	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.9	124.3	-179.8	-179.3	49.3	173.7	-113.5	1.3	110.6	E22 F24 Q337 I343 R347 T348	E22-R335 IonicContact OE1-CZ 3.52Å; E22-R335 IonicContact OE1-NH1 3.16Å; E22-R335 PolarHBondContact OE1-NH1 3.31Å; E22-R335 WeakPolarHBondContact OE2-CD 3.23Å; E22-R335 IonicContact OE2-CZ 2.68Å; E22-R335 IonicContact OE2-NE 3.92Å; E22-R335 IonicContact OE2-NH1 2.69Å; E22-R335 PolarHBondContact OE2-NH1 2.98Å; F24-R335 VanDerWaalsContact CE2-NH1 3.32Å; R335-Q337 PolarHBondContact O-N 2.93Å; R335-I343 HydrophobicContact CG-CD1 4.37Å; R335-I343 HydrophobicContact CG-CG1 4.29Å; R335-I343 HydrophobicContact CG-CG2 3.98Å; R335-R347 PolarHBondContact NE-O 2.74Å; R335-R347 PolarHBondContact NH2-O 2.92Å; R335-T348 PolarHBondContact NH2-OG1 3.17Å
336	S	72.2	Confident	71.6	Confident	2 Å²	2	70.4 Å²	70.4	1%	0.014	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-66.2	128.5	178.2	-54.5	0	0	0	0	110.4	T334 S349 S351	T334-S336 PolarHBondContact O-N 3.18Å; S336-S349 WeakPolarHBondContact CB-O 2.88Å; S336-S349 PolarHBondContact N-O 3.17Å; S336-S349 PolarHBondContact OG-O 3.03Å; S336-S349 PolarHBondContact OG-OG 3.42Å; S336-S349 VanDerWaalsContact OG-OG 3.11Å; S336-S351 VanDerWaalsContact OG-CB 3.27Å; S336-S351 WeakPolarHBondContact OG-CB 3.4Å; S336-S351 PolarHBondContact OG-OG 3.38Å; S336-S351 VanDerWaalsContact OG-OG 3.09Å
337	Q	68.5	Low	69.8	Low	107 Å²	107	70.1 Å²	70.1	50%	0.5	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-89.9	157	171.9	-63.4	175.9	-1.4	0	0	110.5	R335 G341 I343 R347	R335-Q337 PolarHBondContact O-N 2.93Å; Q337-G341 PolarHBondContact OE1-O 2.95Å; Q337-I343 HydrophobicContact CG-CG1 4.3Å; Q337-R347 PolarHBondContact O-NH1 3.29Å; Q337-R347 VanDerWaalsContact O-NH1 3.1Å
338	T	55.8	Low	68.9	Low	33 Å²	33	66.3 Å²	66.3	20%	0.202	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-71.4	170.8	166.7	56.1	0	0	0	0	110.5	W340 G341 V342 S344	T338-W340 PolarHBondContact O-N 2.7Å; T338-G341 PolarHBondContact O-N 3.03Å; T338-V342 WeakPolarHBondContact CG2-O 3.4Å; T338-V342 PolarHBondContact N-O 3.2Å; T338-V342 PolarHBondContact OG1-N 3.24Å; T338-V342 PolarHBondContact OG1-O 3.48Å; T338-S344 WeakPolarHBondContact CG2-OG 3.18Å
339	G	49.3	Very low	68.3	Low	68 Å²	68	62.8 Å²	62.8	70%	0.701	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	-31.7	178	0	0	0	0	0	113.5	G341	G339-G341 VanDerWaalsContact C-N 3.34Å; G339-G341 PolarHBondContact O-N 3.46Å
340	W	43	Very low	68	Low	207 Å²	207	63 Å²	63	78%	0.784	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	15.4	-179.8	-57.6	172.4	0	0	0	114.2	T338 V342	T338-W340 PolarHBondContact O-N 2.7Å; W340-V342 PolarHBondContact O-N 2.91Å
341	G	43.9	Very low	67.9	Low	38 Å²	38	60 Å²	60	39%	0.392	33%	0.334	S	S	.	.	S	Bend	trans	73.6	10	178.6	0	0	0	0	0	114.6	Q337 T338 G339	Q337-G341 PolarHBondContact OE1-O 2.95Å; T338-G341 PolarHBondContact O-N 3.03Å; G339-G341 VanDerWaalsContact C-N 3.34Å; G339-G341 PolarHBondContact O-N 3.46Å
342	V	44.5	Very low	68.2	Low	82 Å²	82	55.5 Å²	55.5	50%	0.497	31%	0.305	S	S	.	.			trans	-94.8	125	-178.2	-178.1	0	0	0	0	110	T338 W340 S344	T338-V342 WeakPolarHBondContact CG2-O 3.4Å; T338-V342 PolarHBondContact N-O 3.2Å; T338-V342 PolarHBondContact OG1-N 3.24Å; T338-V342 PolarHBondContact OG1-O 3.48Å; W340-V342 PolarHBondContact O-N 2.91Å; V342-S344 PolarHBondContact O-N 2.93Å
343	I	53.9	Low	68.5	Low	100 Å²	100	54.4 Å²	54.4	51%	0.513	30%	0.299	S	S	.	.			trans	-66.1	125.5	164.9	-59.2	173.6	0	0	0	107	R335 Q337	R335-I343 HydrophobicContact CG-CD1 4.37Å; R335-I343 HydrophobicContact CG-CG1 4.29Å; R335-I343 HydrophobicContact CG-CG2 3.98Å; Q337-I343 HydrophobicContact CG-CG1 4.3Å
344	S	54.5	Low	68.9	Low	24 Å²	24	54 Å²	54	17%	0.168	30%	0.297	C	S	.	.			trans	-146.7	156.8	178.6	60.5	0	0	0	0	111.4	T338 V342 I346 R347	T338-S344 WeakPolarHBondContact CG2-OG 3.18Å; V342-S344 PolarHBondContact O-N 2.93Å; S344-I346 PolarHBondContact O-N 3.36Å; S344-I346 VanDerWaalsContact OG-CB 3.26Å; S344-I346 WeakPolarHBondContact OG-CB 3.47Å; S344-I346 WeakPolarHBondContact OG-CG1 3.35Å; S344-R347 PolarHBondContact O-N 2.85Å; S344-R347 VanDerWaalsContact O-N 3.12Å
345	D	60.6	Low	69.4	Low	123 Å²	123	55.3 Å²	55.3	66%	0.658	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-4	173.5	-51.7	-40.3	0	0	0	113.3	R347	D345-R347 VanDerWaalsContact C-N 3.29Å
346	I	53.3	Low	70.1	Confident	77 Å²	77	57.1 Å²	57.1	40%	0.395	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-32.4	173.9	-56.3	179.8	0	0	0	110.3	S344 T393	S344-I346 PolarHBondContact O-N 3.36Å; S344-I346 VanDerWaalsContact OG-CB 3.26Å; S344-I346 WeakPolarHBondContact OG-CB 3.47Å; S344-I346 WeakPolarHBondContact OG-CG1 3.35Å; I346-T393 HydrophobicContact CB-CG2 4.21Å; I346-T393 HydrophobicContact CG2-CG2 3.62Å; I346-T393 WeakPolarHBondContact CG2-OG1 3.4Å; I346-T393 PolarHBondContact O-N 3.46Å
347	R	57.8	Low	71.3	Confident	17 Å²	17	61.8 Å²	61.8	6%	0.064	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-138.8	106.3	-178.4	-172.4	-177.5	-173.9	174.2	15.1	110.9	R335 Q337 S344 D345 H382 Q384 R391 Y392	R335-R347 PolarHBondContact NE-O 2.74Å; R335-R347 PolarHBondContact NH2-O 2.92Å; Q337-R347 PolarHBondContact O-NH1 3.29Å; Q337-R347 VanDerWaalsContact O-NH1 3.1Å; S344-R347 PolarHBondContact O-N 2.85Å; S344-R347 VanDerWaalsContact O-N 3.12Å; D345-R347 VanDerWaalsContact C-N 3.29Å; R347-H382 PolarHBondContact NH2-CE1 3.43Å; R347-Q384 VanDerWaalsContact NH2-CD 3.28Å; R347-R391 WeakPolarHBondContact CA-O 2.96Å; R347-Y392 HydrophobicContact CG-CD2 3.93Å; R347-Y392 HydrophobicContact CG-CE2 4.14Å; R347-Y392 HydrophobicContact CG-CG 4.44Å
348	T	77.6	Confident	72.6	Confident	18 Å²	18	59.1 Å²	59.1	11%	0.11	34%	0.336	C	S	.	.			trans	-108.8	85.5	176.1	-54.8	0	0	0	0	109.2	F24 R335 G390 R391	F24-T348 HydrophobicContact CD2-CG2 3.97Å; F24-T348 HydrophobicContact CE2-CG2 3.67Å; R335-T348 PolarHBondContact NH2-OG1 3.17Å; T348-G390 WeakPolarHBondContact O-CA 3.31Å; T348-R391 PolarHBondContact N-O 3.47Å
349	S	82.7	Confident	74.7	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	155.3	176.8	57.3	0	0	0	0	109.4	S25 S336 Q384 N385	S25-S349 WeakPolarHBondContact O-CA 3.43Å; S336-S349 WeakPolarHBondContact CB-O 2.88Å; S336-S349 PolarHBondContact N-O 3.17Å; S336-S349 PolarHBondContact OG-O 3.03Å; S336-S349 PolarHBondContact OG-OG 3.42Å; S336-S349 VanDerWaalsContact OG-OG 3.11Å; S349-Q384 PolarHBondContact OG-NE2 3.48Å; S349-N385 CarbonylContact C-O 3.56Å; S349-N385 VanDerWaalsContact CA-O 3.27Å; S349-N385 WeakPolarHBondContact CA-O 3.47Å; S349-N385 VanDerWaalsContact CB-O 3.25Å; S349-N385 WeakPolarHBondContact CB-O 3.39Å
350	Q	87	Confident	77	Confident	4 Å²	4	55.2 Å²	55.2	2%	0.019	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	152.5	165.1	-64.3	-175.8	-15.1	0	0	110.7	E22 S25 S26 L333 T334 Q384 N385	E22-Q350 PolarHBondContact O-NE2 3.36Å; S25-Q350 PolarHBondContact O-N 3Å; S25-Q350 VanDerWaalsContact OG-CG 3.28Å; S25-Q350 WeakPolarHBondContact OG-CG 3.33Å; S25-Q350 PolarHBondContact OG-NE2 2.93Å; S26-Q350 VanDerWaalsContact CB-CD 3.44Å; L333-Q350 HydrophobicContact CB-CB 4.1Å; L333-Q350 HydrophobicContact CD2-CB 4.23Å; T334-Q350 CarbonylContact O-C 3.48Å; T334-Q350 WeakPolarHBondContact O-CA 3.26Å; T334-Q350 WeakPolarHBondContact O-CB 3.49Å; Q350-Q384 CarbonylContact O-C 3.55Å; Q350-Q384 VanDerWaalsContact O-CA 3.22Å; Q350-Q384 WeakPolarHBondContact O-CA 3.37Å; Q350-N385 PolarHBondContact N-O 3.19Å; Q350-N385 PolarHBondContact O-N 3.31Å
351	S	91.2	Very high	79.6	Confident	12 Å²	12	47.2 Å²	47.2	8%	0.084	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	164	-178.2	73.2	0	0	0	0	114.5	T334 S336 H382 V383	T334-S351 PolarHBondContact N-O 3.13Å; T334-S351 PolarHBondContact O-N 3.05Å; S336-S351 VanDerWaalsContact OG-CB 3.27Å; S336-S351 WeakPolarHBondContact OG-CB 3.4Å; S336-S351 PolarHBondContact OG-OG 3.38Å; S336-S351 VanDerWaalsContact OG-OG 3.09Å; S351-H382 WeakPolarHBondContact CB-CE1 3.42Å; S351-H382 WeakPolarHBondContact CB-NE2 3.28Å; S351-H382 PolarHBondContact OG-CE1 3Å; S351-H382 PolarHBondContact OG-NE2 3.34Å; S351-V383 CarbonylContact C-O 3.56Å; S351-V383 WeakPolarHBondContact CA-O 3.4Å; S351-V383 VanDerWaalsContact CB-O 3.3Å; S351-V383 WeakPolarHBondContact CB-O 3.36Å
352	V	93.8	Very high	82.2	Confident	13 Å²	13	51.5 Å²	51.5	8%	0.079	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	147	176.1	60.7	0	0	0	0	110.2	A329 E332 L333 L354 H382 V383	A329-V352 HydrophobicContact CB-CG1 3.66Å; E332-V352 HydrophobicContact CB-CB 4.32Å; E332-V352 HydrophobicContact CB-CG2 3.62Å; L333-V352 HydrophobicContact CD2-CG1 4.14Å; V352-L354 HydrophobicContact CG1-CD2 3.72Å; V352-L354 HydrophobicContact CG1-CG 4.44Å; V352-L354 HydrophobicContact CG2-CD2 4.12Å; V352-H382 CarbonylContact O-C 3.55Å; V352-H382 WeakPolarHBondContact O-CA 3.41Å; V352-V383 HydrophobicContact CG1-CB 4.14Å; V352-V383 PolarHBondContact N-O 3.36Å; V352-V383 PolarHBondContact O-N 2.92Å
353	F	95.3	Very high	84.7	Confident	90 Å²	90	47.8 Å²	47.8	40%	0.395	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	116.8	168.8	-72.2	-85.1	0	0	0	109.7	K380 H382 W472	F353-K380 HydrophobicContact CB-CB 3.95Å; F353-K380 HydrophobicContact CB-CD 4.29Å; F353-K380 HydrophobicContact CD1-CB 4Å; F353-K380 HydrophobicContact CG-CB 4.45Å; F353-H382 HydrophobicContact CD1-CB 3.94Å; F353-H382 AromaticContact CD1-CD2 3.74Å; F353-H382 AromaticContact CD2-CD2 3.72Å; F353-H382 HydrophobicContact CE1-CB 3.79Å; F353-H382 AromaticContact CE1-CD2 3.56Å; F353-H382 AromaticContact CE1-CG 3.87Å; F353-H382 AromaticContact CE2-CD2 3.52Å; F353-H382 AromaticContact CE2-NE2 3.88Å; F353-H382 AromaticContact CG-CD2 3.84Å; F353-H382 HydrophobicContact CZ-CB 4.44Å; F353-H382 AromaticContact CZ-CD2 3.45Å; F353-H382 VanDerWaalsContact CZ-CD2 3.45Å; F353-H382 WeakPolarHBondContact CZ-CD2 3.42Å; F353-W472 HydrophobicContact CE1-CE3 4.44Å; F353-W472 AromaticContact CE1-CZ3 3.88Å; F353-W472 HydrophobicContact CE1-CZ3 3.88Å; F353-W472 HydrophobicContact CZ-CZ3 4.11Å
354	L	96.2	Very high	86.8	Confident	2 Å²	2	43.2 Å²	43.2	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	142.6	-176.9	-58.2	-174.3	0	0	0	112.4	L325 I328 A329 V352 V360 K380 L381 V383	L325-L354 HydrophobicContact CD2-CD1 3.84Å; I328-L354 HydrophobicContact CG2-CD2 3.87Å; A329-L354 HydrophobicContact CB-CD2 4.39Å; V352-L354 HydrophobicContact CG1-CD2 3.72Å; V352-L354 HydrophobicContact CG1-CG 4.44Å; V352-L354 HydrophobicContact CG2-CD2 4.12Å; L354-V360 HydrophobicContact CB-CG1 4.37Å; L354-V360 HydrophobicContact CB-CG2 3.94Å; L354-V360 HydrophobicContact CD1-CG2 4.01Å; L354-K380 WeakPolarHBondContact O-CB 3.34Å; L354-L381 PolarHBondContact N-O 2.74Å; L354-V383 HydrophobicContact CD1-CB 4.48Å; L354-V383 HydrophobicContact CD1-CG2 3.56Å; L354-V383 HydrophobicContact CG-CG2 4.03Å
355	E	96.3	Very high	88.8	Confident	114 Å²	114	46 Å²	46	53%	0.533	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-65.1	143.2	173.5	-64.2	-57.8	148.9	0	0	112.1	V357 V360 K380	E355-V357 HydrophobicContact CB-CG2 4.28Å; E355-V357 PolarHBondContact O-N 3.28Å; E355-V360 WeakPolarHBondContact O-CB 3.19Å; E355-V360 WeakPolarHBondContact O-CG1 3.48Å; E355-K380 IonicContact OE1-NZ 3.85Å; E355-K380 PolarHBondContact OE1-NZ 3.38Å; E355-K380 VanDerWaalsContact OE2-CE 3.26Å; E355-K380 WeakPolarHBondContact OE2-CE 3.37Å; E355-K380 IonicContact OE2-NZ 3.73Å; E355-K380 PolarHBondContact OE2-NZ 3.27Å
356	E	95.7	Very high	90.6	Very high	68 Å²	68	43.4 Å²	43.4	32%	0.318	23%	0.227	S	C	.	.	S	Bend	trans	-77	62	-176.8	-70	-67.1	161	0	0	112.5	S364 K471	E356-S364 VanDerWaalsContact CD-OG 3.26Å; E356-S364 PolarHBondContact OE1-OG 3.13Å; E356-S364 VanDerWaalsContact OE1-OG 3.09Å; E356-S364 VanDerWaalsContact OE2-CB 3.26Å; E356-S364 WeakPolarHBondContact OE2-CB 3.24Å; E356-S364 PolarHBondContact OE2-OG 2.85Å; E356-K471 IonicContact OE1-NZ 3.17Å; E356-K471 PolarHBondContact OE1-NZ 2.94Å
357	V	96.1	Very high	92.7	Very high	100 Å²	100	39.9 Å²	39.9	61%	0.606	21%	0.208	S	C	*	.	S	Bend	trans	-130.8	157.2	-179.7	-63.1	0	0	0	0	111.8	E355 T359 V360	E355-V357 HydrophobicContact CB-CG2 4.28Å; E355-V357 PolarHBondContact O-N 3.28Å; V357-T359 PolarHBondContact O-N 3.5Å; V357-T359 VanDerWaalsContact O-N 3.16Å; V357-V360 WeakPolarHBondContact O-CB 3.34Å; V357-V360 PolarHBondContact O-N 3.27Å
358	G	97.2	Very high	94.5	Very high	52 Å²	52	39.3 Å²	39.3	54%	0.536	21%	0.207	S	C	.	.	H	α-helix	trans	55.3	-119.2	172.5	0	0	0	0	0	113.6	R362	G358-R362 PolarHBondContact O-N 3.42Å; G358-R362 PolarHBondContact O-NH1 3.03Å
359	T	97.9	Very high	95.5	Very high	16 Å²	16	39.1 Å²	39.1	10%	0.098	21%	0.206	C	C	.	.	H	α-helix	trans	-65.8	-37.1	180	-61.1	0	0	0	0	112.6	E321 T324 L325 V357 R362 I363	E321-T359 HydrophobicContact CB-CG2 3.94Å; E321-T359 HydrophobicContact CG-CG2 3.89Å; T324-T359 HydrophobicContact CG2-CG2 4.33Å; L325-T359 HydrophobicContact CD2-CG2 4.5Å; V357-T359 PolarHBondContact O-N 3.5Å; V357-T359 VanDerWaalsContact O-N 3.16Å; T359-R362 PolarHBondContact O-N 3.08Å; T359-R362 PolarHBondContact OG1-NH2 2.71Å; T359-I363 HydrophobicContact CG2-CD1 3.82Å; T359-I363 WeakPolarHBondContact O-CG1 3.33Å; T359-I363 PolarHBondContact O-N 2.82Å; T359-I363 VanDerWaalsContact O-N 3.1Å
360	V	98	Very high	96.2	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.018	21%	0.207	C	C	.	.	H	α-helix	trans	-61.9	-49	180	-177	0	0	0	0	110.4	L325 L354 E355 V357 R362 I363 S364 L381	L325-V360 HydrophobicContact CD2-CG2 3.75Å; L354-V360 HydrophobicContact CB-CG1 4.37Å; L354-V360 HydrophobicContact CB-CG2 3.94Å; L354-V360 HydrophobicContact CD1-CG2 4.01Å; E355-V360 WeakPolarHBondContact O-CB 3.19Å; E355-V360 WeakPolarHBondContact O-CG1 3.48Å; V357-V360 WeakPolarHBondContact O-CB 3.34Å; V357-V360 PolarHBondContact O-N 3.27Å; V360-R362 VanDerWaalsContact C-N 3.3Å; V360-R362 PolarHBondContact O-N 2.7Å; V360-I363 PolarHBondContact O-N 3.43Å; V360-S364 PolarHBondContact O-N 2.76Å; V360-S364 PolarHBondContact O-OG 3.17Å; V360-L381 HydrophobicContact CG1-CB 3.8Å; V360-L381 HydrophobicContact CG1-CD2 4.16Å
361	A	97.9	Very high	96.6	Very high	38 Å²	38	40 Å²	40	31%	0.314	21%	0.211	S	C	.	.	H	α-helix	trans	-59.5	-37.8	178.1	0	0	0	0	0	113.1	Q365	A361-Q365 WeakPolarHBondContact O-CB 3.41Å; A361-Q365 PolarHBondContact O-N 3.48Å
362	R	97.8	Very high	96.7	Very high	129 Å²	129	40.9 Å²	40.9	49%	0.487	22%	0.221	S	C	.	.	H	α-helix	trans	-65.9	-38.9	175.7	-68.7	-166.5	-52.9	-87.6	-0.4	112	G358 T359 V360 R366	G358-R362 PolarHBondContact O-N 3.42Å; G358-R362 PolarHBondContact O-NH1 3.03Å; T359-R362 PolarHBondContact O-N 3.08Å; T359-R362 PolarHBondContact OG1-NH2 2.71Å; V360-R362 VanDerWaalsContact C-N 3.3Å; V360-R362 PolarHBondContact O-N 2.7Å; R362-R366 WeakPolarHBondContact O-CB 3.4Å; R362-R366 PolarHBondContact O-N 3.06Å
363	I	98.2	Very high	96.8	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.015	22%	0.218	C	C	.	.	H	α-helix	trans	-68.4	-47.1	177	-67.4	163.8	0	0	0	110	I317 E321 L325 T359 V360 Q365 R366 I367 I411	I317-I363 HydrophobicContact CD1-CD1 3.43Å; I317-I363 VanDerWaalsContact CD1-CD1 3.43Å; I317-I363 HydrophobicContact CD1-CG1 4.18Å; I317-I363 HydrophobicContact CG1-CD1 4.16Å; I317-I363 HydrophobicContact CG1-CG1 4.48Å; E321-I363 HydrophobicContact CB-CD1 4.44Å; L325-I363 HydrophobicContact CD1-CD1 3.65Å; L325-I363 HydrophobicContact CD2-CD1 4.07Å; L325-I363 HydrophobicContact CG-CD1 4.01Å; T359-I363 HydrophobicContact CG2-CD1 3.82Å; T359-I363 WeakPolarHBondContact O-CG1 3.33Å; T359-I363 PolarHBondContact O-N 2.82Å; T359-I363 VanDerWaalsContact O-N 3.1Å; V360-I363 PolarHBondContact O-N 3.43Å; I363-Q365 VanDerWaalsContact C-N 3.3Å; I363-Q365 PolarHBondContact O-N 2.64Å; I363-R366 CarbonylContact O-C 3.56Å; I363-R366 WeakPolarHBondContact O-CA 3.47Å; I363-R366 WeakPolarHBondContact O-CB 3.26Å; I363-R366 PolarHBondContact O-N 3.38Å; I363-I367 HydrophobicContact CG2-CD1 4.06Å; I363-I367 HydrophobicContact CG2-CG1 4.44Å; I363-I367 WeakPolarHBondContact O-CG1 3.35Å; I363-I367 PolarHBondContact O-N 3.45Å; I363-I411 HydrophobicContact CG2-CD1 3.88Å
364	S	98.1	Very high	96.8	Very high	4 Å²	4	36.2 Å²	36.2	3%	0.028	20%	0.201	C	C	.	.	H	α-helix	trans	-55.2	-45.1	174.7	-69	0	0	0	0	111.8	E356 V360 R366 I367 A368 K471	E356-S364 VanDerWaalsContact CD-OG 3.26Å; E356-S364 PolarHBondContact OE1-OG 3.13Å; E356-S364 VanDerWaalsContact OE1-OG 3.09Å; E356-S364 VanDerWaalsContact OE2-CB 3.26Å; E356-S364 WeakPolarHBondContact OE2-CB 3.24Å; E356-S364 PolarHBondContact OE2-OG 2.85Å; V360-S364 PolarHBondContact O-N 2.76Å; V360-S364 PolarHBondContact O-OG 3.17Å; S364-R366 VanDerWaalsContact C-N 3.34Å; S364-R366 PolarHBondContact O-N 3.19Å; S364-I367 WeakPolarHBondContact O-CB 3.46Å; S364-I367 PolarHBondContact O-N 2.63Å; S364-A368 PolarHBondContact O-N 2.96Å; S364-K471 PolarHBondContact OG-NZ 3.42Å
365	Q	97	Very high	96.8	Very high	83 Å²	83	37.4 Å²	37.4	39%	0.388	21%	0.208	S	C	.	.	H	α-helix	trans	-62.9	-39.6	175.3	-177.9	60	76.7	0	0	112.5	A361 I363 A368 D369	A361-Q365 WeakPolarHBondContact O-CB 3.41Å; A361-Q365 PolarHBondContact O-N 3.48Å; I363-Q365 VanDerWaalsContact C-N 3.3Å; I363-Q365 PolarHBondContact O-N 2.64Å; Q365-A368 WeakPolarHBondContact O-CB 3.32Å; Q365-A368 PolarHBondContact O-N 2.94Å; Q365-D369 PolarHBondContact NE2-OD1 2.67Å; Q365-D369 VanDerWaalsContact NE2-OD1 3.08Å; Q365-D369 PolarHBondContact O-N 2.66Å
366	R	97.3	Very high	96.6	Very high	69 Å²	69	40.3 Å²	40.3	26%	0.26	22%	0.221	S	C	.	.	H	α-helix	trans	-65	-38.9	175.9	-171.9	-174.3	-60.4	138.8	10.5	112	V316 E321 R362 I363 S364 A368 D369 I370	V316-R366 WeakPolarHBondContact O-CD 3.39Å; V316-R366 PolarHBondContact O-NH1 3.26Å; E321-R366 IonicContact OE1-CZ 2.83Å; E321-R366 IonicContact OE1-NH1 2.86Å; E321-R366 PolarHBondContact OE1-NH1 3.22Å; E321-R366 IonicContact OE1-NH2 2.86Å; E321-R366 PolarHBondContact OE1-NH2 3.3Å; E321-R366 IonicContact OE2-CZ 2.72Å; E321-R366 IonicContact OE2-NH1 2.61Å; E321-R366 PolarHBondContact OE2-NH1 2.92Å; E321-R366 IonicContact OE2-NH2 2.95Å; E321-R366 PolarHBondContact OE2-NH2 3.47Å; R362-R366 WeakPolarHBondContact O-CB 3.4Å; R362-R366 PolarHBondContact O-N 3.06Å; I363-R366 CarbonylContact O-C 3.56Å; I363-R366 WeakPolarHBondContact O-CA 3.47Å; I363-R366 WeakPolarHBondContact O-CB 3.26Å; I363-R366 PolarHBondContact O-N 3.38Å; S364-R366 VanDerWaalsContact C-N 3.34Å; S364-R366 PolarHBondContact O-N 3.19Å; R366-A368 VanDerWaalsContact C-N 3.33Å; R366-D369 PolarHBondContact O-N 3.23Å; R366-I370 HydrophobicContact CG-CD1 3.86Å; R366-I370 HydrophobicContact CG-CG1 4.43Å; R366-I370 WeakPolarHBondContact O-CB 3.3Å; R366-I370 VanDerWaalsContact O-CG1 3.29Å; R366-I370 WeakPolarHBondContact O-CG1 3.45Å; R366-I370 PolarHBondContact O-N 3.21Å
367	I	97.7	Very high	96.5	Very high	3 Å²	3	38.7 Å²	38.7	2%	0.015	22%	0.218	C	C	.	.	H	α-helix	trans	-60.1	-45.4	173.9	-66.3	168.9	0	0	0	110	I363 S364 D369 I370 T371 V375 F409 I411 K471 I473	I363-I367 HydrophobicContact CG2-CD1 4.06Å; I363-I367 HydrophobicContact CG2-CG1 4.44Å; I363-I367 WeakPolarHBondContact O-CG1 3.35Å; I363-I367 PolarHBondContact O-N 3.45Å; S364-I367 WeakPolarHBondContact O-CB 3.46Å; S364-I367 PolarHBondContact O-N 2.63Å; I367-D369 VanDerWaalsContact C-N 3.3Å; I367-D369 PolarHBondContact O-N 3.29Å; I367-I370 PolarHBondContact O-N 2.89Å; I367-T371 HydrophobicContact CG2-CG2 4.27Å; I367-T371 WeakPolarHBondContact O-CB 3.44Å; I367-T371 WeakPolarHBondContact O-CG2 3.29Å; I367-T371 PolarHBondContact O-N 3.18Å; I367-T371 PolarHBondContact O-OG1 2.61Å; I367-V375 HydrophobicContact CG2-CG1 4.28Å; I367-F409 HydrophobicContact CD1-CD1 3.88Å; I367-F409 HydrophobicContact CD1-CE1 4.26Å; I367-F409 HydrophobicContact CD1-CG 4.42Å; I367-F409 HydrophobicContact CG1-CD1 3.79Å; I367-F409 HydrophobicContact CG1-CE1 3.77Å; I367-F409 HydrophobicContact CG1-CG 4.24Å; I367-F409 HydrophobicContact CG1-CZ 4.22Å; I367-F409 HydrophobicContact CG2-CB 4.16Å; I367-F409 HydrophobicContact CG2-CD1 4.32Å; I367-F409 HydrophobicContact CG2-CD2 3.94Å; I367-F409 HydrophobicContact CG2-CE2 4.41Å; I367-F409 HydrophobicContact CG2-CG 3.89Å; I367-I411 HydrophobicContact CD1-CD1 4.26Å; I367-K471 HydrophobicContact CD1-CB 3.74Å; I367-K471 HydrophobicContact CD1-CG 3.84Å; I367-I473 HydrophobicContact CG2-CD1 4.16Å
368	A	96.6	Very high	96.4	Very high	4 Å²	4	34.8 Å²	34.8	3%	0.033	20%	0.196	C	C	.	.	H	α-helix	trans	-60.2	-40.7	174.7	0	0	0	0	0	112.1	S364 Q365 R366 G372 L373 V375	S364-A368 PolarHBondContact O-N 2.96Å; Q365-A368 WeakPolarHBondContact O-CB 3.32Å; Q365-A368 PolarHBondContact O-N 2.94Å; R366-A368 VanDerWaalsContact C-N 3.33Å; A368-G372 WeakPolarHBondContact O-CA 3.35Å; A368-G372 PolarHBondContact O-N 3.06Å; A368-L373 WeakPolarHBondContact CA-O 3.42Å; A368-L373 WeakPolarHBondContact CB-O 3.39Å; A368-V375 HydrophobicContact CB-CG1 3.9Å; A368-V375 HydrophobicContact CB-CG2 3.97Å
369	D	96.6	Very high	96.3	Very high	15 Å²	15	34.4 Å²	34.4	8%	0.08	18%	0.18	C	C	.	.	H	α-helix	trans	-67.7	-39.8	179.7	-64.3	-27.9	0	0	0	112.5	N291 R293 L294 Q365 R366 I367	N291-D369 WeakPolarHBondContact ND2-CA 3.48Å; N291-D369 WeakPolarHBondContact ND2-CB 3.42Å; N291-D369 PolarHBondContact ND2-OD1 3.38Å; R293-D369 WeakPolarHBondContact CD-OD2 3.43Å; R293-D369 IonicContact CZ-OD2 3.36Å; R293-D369 IonicContact NE-OD2 3.03Å; R293-D369 VanDerWaalsContact NH1-CG 3.28Å; R293-D369 IonicContact NH1-OD1 3.77Å; R293-D369 PolarHBondContact NH1-OD1 3.34Å; R293-D369 IonicContact NH1-OD2 2.75Å; R293-D369 PolarHBondContact NH1-OD2 3.22Å; L294-D369 HydrophobicContact CD1-CB 4.39Å; L294-D369 VanDerWaalsContact CD1-O 3.27Å; L294-D369 WeakPolarHBondContact CD1-O 3.3Å; L294-D369 HydrophobicContact CG-CB 4.47Å; Q365-D369 PolarHBondContact NE2-OD1 2.67Å; Q365-D369 VanDerWaalsContact NE2-OD1 3.08Å; Q365-D369 PolarHBondContact O-N 2.66Å; R366-D369 PolarHBondContact O-N 3.23Å; I367-D369 VanDerWaalsContact C-N 3.3Å; I367-D369 PolarHBondContact O-N 3.29Å
370	I	97.5	Very high	96.2	Very high	6 Å²	6	37.4 Å²	37.4	3%	0.031	19%	0.191	C	C	.	.	H	α-helix	trans	-70.5	-48.2	179.6	-71.9	167.6	0	0	0	111.3	G288 L294 V299 Y313 V316 R366 I367 F409	G288-I370 WeakPolarHBondContact CA-O 3.19Å; L294-I370 HydrophobicContact CD1-CG1 4.25Å; V299-I370 HydrophobicContact CB-CG1 4.22Å; V299-I370 HydrophobicContact CG1-CG1 4.27Å; V299-I370 HydrophobicContact CG1-CG2 4.26Å; V299-I370 HydrophobicContact CG2-CD1 4.05Å; V299-I370 HydrophobicContact CG2-CG1 4.16Å; Y313-I370 HydrophobicContact CD1-CG2 3.69Å; Y313-I370 HydrophobicContact CD2-CG2 3.8Å; Y313-I370 HydrophobicContact CE1-CG2 3.45Å; Y313-I370 VanDerWaalsContact CE1-CG2 3.45Å; Y313-I370 HydrophobicContact CE2-CG2 3.59Å; Y313-I370 HydrophobicContact CG-CG2 3.85Å; Y313-I370 VanDerWaalsContact CZ-CG2 3.43Å; V316-I370 HydrophobicContact CB-CD1 4.27Å; V316-I370 HydrophobicContact CG1-CD1 3.84Å; R366-I370 HydrophobicContact CG-CD1 3.86Å; R366-I370 HydrophobicContact CG-CG1 4.43Å; R366-I370 WeakPolarHBondContact O-CB 3.3Å; R366-I370 VanDerWaalsContact O-CG1 3.29Å; R366-I370 WeakPolarHBondContact O-CG1 3.45Å; R366-I370 PolarHBondContact O-N 3.21Å; I367-I370 PolarHBondContact O-N 2.89Å; I370-F409 HydrophobicContact CD1-CZ 4.41Å; I370-F409 HydrophobicContact CG2-CE2 4.14Å
371	T	96	Very high	96.2	Very high	17 Å²	17	37.2 Å²	37.2	10%	0.104	19%	0.191	C	C	.	.	H	α-helix	trans	-84.2	-22.1	-172.5	60.2	0	0	0	0	112.9	I367 L373 F409 F440	I367-T371 HydrophobicContact CG2-CG2 4.27Å; I367-T371 WeakPolarHBondContact O-CB 3.44Å; I367-T371 WeakPolarHBondContact O-CG2 3.29Å; I367-T371 PolarHBondContact O-N 3.18Å; I367-T371 PolarHBondContact O-OG1 2.61Å; T371-L373 PolarHBondContact O-N 3.15Å; T371-L373 PolarHBondContact OG1-N 2.92Å; T371-F409 HydrophobicContact CG2-CD2 3.71Å; T371-F409 HydrophobicContact CG2-CE2 3.95Å; T371-F440 HydrophobicContact CG2-CD2 3.8Å; T371-F440 HydrophobicContact CG2-CE2 3.65Å; T371-F440 HydrophobicContact CG2-CG 4.36Å; T371-F440 HydrophobicContact CG2-CZ 4.13Å
372	G	94.5	Very high	96.1	Very high	29 Å²	29	35.6 Å²	35.6	30%	0.299	18%	0.177	S	C	.	.			trans	73.7	3.8	-170.1	0	0	0	0	0	113.9	A368 R481	A368-G372 WeakPolarHBondContact O-CA 3.35Å; A368-G372 PolarHBondContact O-N 3.06Å; G372-R481 WeakPolarHBondContact O-CD 3.39Å
373	L	95.3	Very high	96.1	Very high	3 Å²	3	29.5 Å²	29.5	2%	0.016	15%	0.153	C	C	.	.			trans	-91	157.6	179.8	-60.2	174.8	0	0	0	111.5	A368 T371 A407 F440 Y442 I473 R481 R482	A368-L373 WeakPolarHBondContact CA-O 3.42Å; A368-L373 WeakPolarHBondContact CB-O 3.39Å; T371-L373 PolarHBondContact O-N 3.15Å; T371-L373 PolarHBondContact OG1-N 2.92Å; L373-A407 HydrophobicContact CD1-CB 4.04Å; L373-F440 HydrophobicContact CD1-CE2 4.21Å; L373-F440 HydrophobicContact CD1-CZ 4.06Å; L373-Y442 HydrophobicContact CD1-CE1 3.92Å; L373-Y442 HydrophobicContact CD2-CE1 4.41Å; L373-I473 HydrophobicContact CB-CD1 4.23Å; L373-I473 HydrophobicContact CB-CG2 4.16Å; L373-I473 HydrophobicContact CD1-CD1 3.87Å; L373-I473 HydrophobicContact CD1-CG2 4.18Å; L373-R481 VanDerWaalsContact C-NH1 3.33Å; L373-R481 PolarHBondContact O-NH1 3.2Å; L373-R482 HydrophobicContact CD2-CB 3.98Å
374	S	95.2	Very high	95.9	Very high	3 Å²	3	29.4 Å²	29.4	2%	0.021	15%	0.153	C	C	.	.			trans	-75.6	141.3	169	-171.2	0	0	0	0	110	E376 I473 G477 Q478	S374-E376 PolarHBondContact OG-N 3.28Å; S374-I473 WeakPolarHBondContact O-CG2 3.33Å; S374-G477 VanDerWaalsContact CB-O 3.29Å; S374-G477 WeakPolarHBondContact CB-O 3.5Å; S374-Q478 PolarHBondContact O-NE2 3.45Å
375	V	95.2	Very high	95.7	Very high	27 Å²	27	29.2 Å²	29.2	16%	0.164	15%	0.152	C	C	.	.			trans	-110.8	8.4	172.2	-62.8	0	0	0	0	111.9	I367 A368 S377 A378	I367-V375 HydrophobicContact CG2-CG1 4.28Å; A368-V375 HydrophobicContact CB-CG1 3.9Å; A368-V375 HydrophobicContact CB-CG2 3.97Å; V375-S377 VanDerWaalsContact C-N 3.34Å; V375-S377 PolarHBondContact O-N 3.03Å; V375-A378 HydrophobicContact CB-CB 4.1Å; V375-A378 WeakPolarHBondContact O-CB 3.19Å; V375-A378 PolarHBondContact O-N 3.21Å
376	E	93.3	Very high	95.4	Very high	174 Å²	174	25.8 Å²	25.8	81%	0.813	14%	0.135	S	C	*	.	S	Bend	trans	-66.1	-36.7	-178.3	-68.1	176.7	-179.6	0	0	112.4	S374	S374-E376 PolarHBondContact OG-N 3.28Å
377	S	92.7	Very high	94.8	Very high	35 Å²	35	22.5 Å²	22.5	25%	0.245	12%	0.123	C	C	.	.	S	Bend	trans	-95.3	-0.8	176.1	58.3	0	0	0	0	113.1	V375 F476	V375-S377 VanDerWaalsContact C-N 3.34Å; V375-S377 PolarHBondContact O-N 3.03Å; S377-F476 VanDerWaalsContact CB-O 3.32Å; S377-F476 WeakPolarHBondContact CB-O 3.41Å; S377-F476 PolarHBondContact OG-O 3.03Å
378	A	94.7	Very high	94.2	Very high	17 Å²	17	24.8 Å²	24.8	14%	0.14	14%	0.135	C	C	.	.	S	Bend	trans	-72.3	151.9	-176.9	0	0	0	0	0	111.3	V375 W472 I473	V375-A378 HydrophobicContact CB-CB 4.1Å; V375-A378 WeakPolarHBondContact O-CB 3.19Å; V375-A378 PolarHBondContact O-N 3.21Å; A378-W472 WeakPolarHBondContact CA-O 3.35Å; A378-W472 VanDerWaalsContact CB-O 3.29Å; A378-W472 WeakPolarHBondContact CB-O 3.46Å; A378-I473 HydrophobicContact CB-CG1 4.44Å
379	E	94.8	Very high	93.4	Very high	44 Å²	44	25.1 Å²	25.1	21%	0.206	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-61.5	155.7	172.5	-61.1	-174.3	-147.2	0	0	110.7	R405 K471 W472 H474	E379-R405 VanDerWaalsContact CD-NH2 3.29Å; E379-R405 IonicContact OE1-CZ 3.34Å; E379-R405 IonicContact OE1-NE 3.39Å; E379-R405 PolarHBondContact OE1-NE 3.37Å; E379-R405 IonicContact OE1-NH2 3.7Å; E379-R405 PolarHBondContact OE1-NH2 2.9Å; E379-R405 IonicContact OE2-NH2 2.73Å; E379-R405 PolarHBondContact OE2-NH2 3.42Å; E379-K471 WeakPolarHBondContact O-CD 3.46Å; E379-K471 VanDerWaalsContact O-CE 3.31Å; E379-K471 WeakPolarHBondContact O-CE 3.2Å; E379-K471 PolarHBondContact O-NZ 2.98Å; E379-W472 HydrophobicContact CB-CB 4.43Å; E379-W472 HydrophobicContact CB-CE3 4.32Å; E379-W472 HydrophobicContact CG-CB 4.25Å; E379-W472 PolarHBondContact N-O 3.33Å; E379-H474 VanDerWaalsContact CG-NE2 3.28Å; E379-H474 WeakPolarHBondContact CG-NE2 3.28Å; E379-H474 IonicContact OE1-NE2 2.71Å; E379-H474 PolarHBondContact OE1-NE2 2.95Å
380	K	96.2	Very high	92.6	Very high	79 Å²	79	24.4 Å²	24.4	34%	0.343	14%	0.135	S	C	.	.	P	Polyproline II helix	trans	-54.1	151.1	170.1	-75	178.1	179.4	178.1	0	110.6	F353 L354 E355 H382	F353-K380 HydrophobicContact CB-CB 3.95Å; F353-K380 HydrophobicContact CB-CD 4.29Å; F353-K380 HydrophobicContact CD1-CB 4Å; F353-K380 HydrophobicContact CG-CB 4.45Å; L354-K380 WeakPolarHBondContact O-CB 3.34Å; E355-K380 IonicContact OE1-NZ 3.85Å; E355-K380 PolarHBondContact OE1-NZ 3.38Å; E355-K380 VanDerWaalsContact OE2-CE 3.26Å; E355-K380 WeakPolarHBondContact OE2-CE 3.37Å; E355-K380 IonicContact OE2-NZ 3.73Å; E355-K380 PolarHBondContact OE2-NZ 3.27Å; K380-H382 PolarHBondContact O-N 2.93Å; K380-H382 VanDerWaalsContact O-N 3.09Å
381	L	97.6	Very high	91.8	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	116.8	177.3	-170.4	70.5	0	0	0	109.9	L325 L354 V360 I411 A469 K471	L325-L381 HydrophobicContact CD1-CD2 3.87Å; L325-L381 HydrophobicContact CD2-CD2 4.03Å; L354-L381 PolarHBondContact N-O 2.74Å; V360-L381 HydrophobicContact CG1-CB 3.8Å; V360-L381 HydrophobicContact CG1-CD2 4.16Å; L381-I411 HydrophobicContact CD1-CD1 4.47Å; L381-A469 HydrophobicContact CD1-CB 4.03Å; L381-A469 HydrophobicContact CD2-CB 4.28Å; L381-A469 HydrophobicContact CG-CB 4.09Å; L381-K471 HydrophobicContact CD1-CB 4.15Å; L381-K471 HydrophobicContact CD1-CD 4.31Å
382	H	96.2	Very high	90.9	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.019	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	99.8	-175.4	-173.5	-114.2	0	0	0	110.4	R347 S351 V352 F353 K380 A469 N470 W472	R347-H382 PolarHBondContact NH2-CE1 3.43Å; S351-H382 WeakPolarHBondContact CB-CE1 3.42Å; S351-H382 WeakPolarHBondContact CB-NE2 3.28Å; S351-H382 PolarHBondContact OG-CE1 3Å; S351-H382 PolarHBondContact OG-NE2 3.34Å; V352-H382 CarbonylContact O-C 3.55Å; V352-H382 WeakPolarHBondContact O-CA 3.41Å; F353-H382 HydrophobicContact CD1-CB 3.94Å; F353-H382 AromaticContact CD1-CD2 3.74Å; F353-H382 AromaticContact CD2-CD2 3.72Å; F353-H382 HydrophobicContact CE1-CB 3.79Å; F353-H382 AromaticContact CE1-CD2 3.56Å; F353-H382 AromaticContact CE1-CG 3.87Å; F353-H382 AromaticContact CE2-CD2 3.52Å; F353-H382 AromaticContact CE2-NE2 3.88Å; F353-H382 AromaticContact CG-CD2 3.84Å; F353-H382 HydrophobicContact CZ-CB 4.44Å; F353-H382 AromaticContact CZ-CD2 3.45Å; F353-H382 VanDerWaalsContact CZ-CD2 3.45Å; F353-H382 WeakPolarHBondContact CZ-CD2 3.42Å; K380-H382 PolarHBondContact O-N 2.93Å; K380-H382 VanDerWaalsContact O-N 3.09Å; H382-A469 CarbonylContact O-C 3.55Å; H382-A469 VanDerWaalsContact O-CA 3.29Å; H382-A469 WeakPolarHBondContact O-CA 3.49Å; H382-N470 HydrophobicContact CB-CB 4.22Å; H382-N470 PolarHBondContact N-O 2.87Å; H382-N470 PolarHBondContact O-N 3.45Å; H382-W472 HydrophobicContact CB-CE3 4.33Å; H382-W472 HydrophobicContact CB-CH2 4.04Å; H382-W472 HydrophobicContact CB-CZ3 3.56Å; H382-W472 AromaticContact CG-CH2 3.81Å; H382-W472 AromaticContact CG-CZ3 3.68Å; H382-W472 AromaticContact ND1-CH2 3.44Å; H382-W472 WeakPolarHBondContact ND1-CH2 3.36Å; H382-W472 AromaticContact ND1-CZ3 3.83Å
383	V	96.8	Very high	90.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	138.8	179.9	172.6	0	0	0	0	110	A329 S351 V352 L354 M413 W467 A469	A329-V383 HydrophobicContact CB-CB 4.16Å; A329-V383 HydrophobicContact CB-CG1 3.68Å; S351-V383 CarbonylContact C-O 3.56Å; S351-V383 WeakPolarHBondContact CA-O 3.4Å; S351-V383 VanDerWaalsContact CB-O 3.3Å; S351-V383 WeakPolarHBondContact CB-O 3.36Å; V352-V383 HydrophobicContact CG1-CB 4.14Å; V352-V383 PolarHBondContact N-O 3.36Å; V352-V383 PolarHBondContact O-N 2.92Å; L354-V383 HydrophobicContact CD1-CB 4.48Å; L354-V383 HydrophobicContact CD1-CG2 3.56Å; L354-V383 HydrophobicContact CG-CG2 4.03Å; V383-M413 HydrophobicContact CB-CE 4.46Å; V383-M413 HydrophobicContact CG1-CE 3.61Å; V383-M413 HydrophobicContact CG2-CE 4.17Å; V383-W467 HydrophobicContact CG1-CE3 3.96Å; V383-W467 HydrophobicContact CG1-CZ3 3.83Å; V383-A469 HydrophobicContact CG2-CB 4.01Å
384	Q	94.4	Very high	90.4	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	145.8	-179.2	-50.5	-177.2	-105.5	0	0	112.9	R347 S349 Q350 W467 V468 N470	R347-Q384 VanDerWaalsContact NH2-CD 3.28Å; S349-Q384 PolarHBondContact OG-NE2 3.48Å; Q350-Q384 CarbonylContact O-C 3.55Å; Q350-Q384 VanDerWaalsContact O-CA 3.22Å; Q350-Q384 WeakPolarHBondContact O-CA 3.37Å; Q384-W467 WeakPolarHBondContact O-CA 3.42Å; Q384-V468 HydrophobicContact CB-CG2 3.86Å; Q384-V468 HydrophobicContact CG-CG2 4.3Å; Q384-V468 PolarHBondContact N-O 2.73Å; Q384-V468 PolarHBondContact O-N 2.86Å; Q384-N470 PolarHBondContact OE1-ND2 3.47Å
385	N	94.4	Very high	90.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	133.3	167.4	-176.9	-108.3	0	0	0	110.3	S26 V27 D28 L333 S349 Q350 N465 K466 W467	S26-N385 VanDerWaalsContact CA-OD1 3.28Å; S26-N385 WeakPolarHBondContact CA-OD1 3.41Å; S26-N385 WeakPolarHBondContact CB-OD1 3.11Å; S26-N385 PolarHBondContact OG-OD1 3.22Å; V27-N385 PolarHBondContact N-OD1 2.95Å; V27-N385 VanDerWaalsContact N-OD1 3.12Å; D28-N385 PolarHBondContact N-OD1 3.46Å; L333-N385 HydrophobicContact CD1-CB 4.17Å; S349-N385 CarbonylContact C-O 3.56Å; S349-N385 VanDerWaalsContact CA-O 3.27Å; S349-N385 WeakPolarHBondContact CA-O 3.47Å; S349-N385 VanDerWaalsContact CB-O 3.25Å; S349-N385 WeakPolarHBondContact CB-O 3.39Å; Q350-N385 PolarHBondContact N-O 3.19Å; Q350-N385 PolarHBondContact O-N 3.31Å; N385-N465 PolarHBondContact ND2-OD1 3.42Å; N385-K466 PolarHBondContact ND2-O 3.25Å; N385-W467 HydrophobicContact CB-CD2 4.05Å; N385-W467 HydrophobicContact CB-CE3 4.06Å; N385-W467 HydrophobicContact CB-CH2 4.07Å; N385-W467 HydrophobicContact CB-CZ2 4.01Å; N385-W467 HydrophobicContact CB-CZ3 4.07Å; N385-W467 PolarHBondContact ND2-NE1 3.09Å
386	Y	90.2	Very high	90	Very high	11 Å²	11	32.9 Å²	32.9	4%	0.043	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	142.6	179.8	-71.2	-103.1	0	0	0	111.2	S25 V27 G390 K466 V468	S25-Y386 CarbonylContact O-C 3.59Å; V27-Y386 WeakPolarHBondContact CG2-O 3.32Å; V27-Y386 PolarHBondContact N-O 3.29Å; Y386-G390 WeakPolarHBondContact CD1-O 3.41Å; Y386-K466 HydrophobicContact CD2-CB 4.05Å; Y386-K466 HydrophobicContact CD2-CD 3.78Å; Y386-K466 HydrophobicContact CD2-CG 3.83Å; Y386-K466 HydrophobicContact CE2-CD 3.94Å; Y386-K466 HydrophobicContact CE2-CG 4.24Å; Y386-K466 HydrophobicContact CG-CB 4.41Å; Y386-K466 HydrophobicContact CG-CD 4.25Å; Y386-K466 PolarHBondContact N-O 2.98Å; Y386-K466 VanDerWaalsContact N-O 3.15Å; Y386-V468 HydrophobicContact CE2-CG2 3.83Å
387	G	85.7	Confident	89.9	Confident	1 Å²	1	24.8 Å²	24.8	1%	0.01	13%	0.126	C	C	.	.			trans	-88.9	-166.5	176.9	0	0	0	0	0	114.3	F24 S25 G389 G390	F24-G387 CarbonylContact O-C 3.49Å; F24-G387 VanDerWaalsContact O-CA 3.24Å; F24-G387 WeakPolarHBondContact O-CA 3.46Å; S25-G387 VanDerWaalsContact O-CA 3.25Å; S25-G387 WeakPolarHBondContact O-CA 3.39Å; S25-G387 PolarHBondContact O-N 2.88Å; G387-G389 PolarHBondContact O-N 3.05Å; G387-G390 WeakPolarHBondContact O-CA 3.16Å; G387-G390 PolarHBondContact O-N 3.08Å
388	I	84.6	Confident	89.5	Confident	50 Å²	50	24.8 Å²	24.8	26%	0.256	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	121.2	177.5	-59.6	172.6	0	0	0	109.3	F24 A130 L134 G390	F24-I388 PolarHBondContact O-N 3.31Å; A130-I388 HydrophobicContact CB-CD1 3.76Å; L134-I388 HydrophobicContact CD2-CG2 4.18Å; L134-I388 HydrophobicContact CG-CG2 4.48Å; I388-G390 PolarHBondContact O-N 3.4Å; I388-G390 VanDerWaalsContact O-N 3.09Å
389	G	79.3	Confident	88.1	Confident	11 Å²	11	25.7 Å²	25.7	11%	0.113	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	15.2	-174.4	0	0	0	0	0	113.6	G387 R391	G387-G389 PolarHBondContact O-N 3.05Å; G389-R391 PolarHBondContact O-N 3.04Å
390	G	79.7	Confident	86.3	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.168	C	C	.	.			trans	-59.9	124.7	-174	0	0	0	0	0	112	T348 Y386 G387 I388 P460 V461	T348-G390 WeakPolarHBondContact O-CA 3.31Å; Y386-G390 WeakPolarHBondContact CD1-O 3.41Å; G387-G390 WeakPolarHBondContact O-CA 3.16Å; G387-G390 PolarHBondContact O-N 3.08Å; I388-G390 PolarHBondContact O-N 3.4Å; I388-G390 VanDerWaalsContact O-N 3.09Å; G390-P460 WeakPolarHBondContact O-CA 3.37Å; G390-V461 PolarHBondContact O-N 3.39Å
391	R	81.2	Confident	84.8	Confident	62 Å²	62	34.5 Å²	34.5	23%	0.234	18%	0.184	C	C	.	.			trans	-135.5	171.2	-178.7	71	179.8	178.6	-167.6	-3.7	111.9	R347 T348 G389 P460	R347-R391 WeakPolarHBondContact CA-O 2.96Å; T348-R391 PolarHBondContact N-O 3.47Å; G389-R391 PolarHBondContact O-N 3.04Å; R391-P460 HydrophobicContact CB-CB 4.28Å; R391-P460 HydrophobicContact CB-CG 3.89Å
392	Y	77.8	Confident	83.3	Confident	39 Å²	39	40.8 Å²	40.8	15%	0.153	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	121.2	165.6	-157.6	-47.2	0	0	0	107.5	R347 H395 A457 G458	R347-Y392 HydrophobicContact CG-CD2 3.93Å; R347-Y392 HydrophobicContact CG-CE2 4.14Å; R347-Y392 HydrophobicContact CG-CG 4.44Å; Y392-H395 AromaticContact CD1-CE1 3.22Å; Y392-H395 WeakPolarHBondContact CD1-CE1 3.38Å; Y392-H395 AromaticContact CD1-CG 3.94Å; Y392-H395 AromaticContact CD1-ND1 3.16Å; Y392-H395 WeakPolarHBondContact CD1-ND1 3.32Å; Y392-H395 AromaticContact CD1-NE2 3.96Å; Y392-H395 HydrophobicContact CE1-CB 4.09Å; Y392-H395 AromaticContact CE1-CD2 3.61Å; Y392-H395 AromaticContact CE1-CE1 3.18Å; Y392-H395 WeakPolarHBondContact CE1-CE1 3.49Å; Y392-H395 AromaticContact CE1-CG 3.35Å; Y392-H395 AromaticContact CE1-ND1 3.08Å; Y392-H395 WeakPolarHBondContact CE1-ND1 3.46Å; Y392-H395 AromaticContact CE1-NE2 3.47Å; Y392-H395 WeakPolarHBondContact CE1-NE2 3.42Å; Y392-H395 AromaticContact CE2-NE2 3.99Å; Y392-H395 AromaticContact CG-CE1 3.71Å; Y392-H395 AromaticContact CZ-CD2 3.78Å; Y392-H395 AromaticContact CZ-CE1 3.6Å; Y392-H395 AromaticContact CZ-ND1 3.92Å; Y392-H395 AromaticContact CZ-NE2 3.47Å; Y392-A457 WeakPolarHBondContact O-CA 3.48Å; Y392-A457 WeakPolarHBondContact O-CB 3.47Å; Y392-G458 PolarHBondContact N-O 3.18Å; Y392-G458 VanDerWaalsContact N-O 3.11Å; Y392-G458 PolarHBondContact O-N 2.95Å; Y392-G458 VanDerWaalsContact O-O 3.11Å
393	T	86.2	Confident	82.5	Confident	37 Å²	37	42.1 Å²	42.1	23%	0.227	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	166.3	179.4	63.5	0	0	0	0	113.6	I346 H395	I346-T393 HydrophobicContact CB-CG2 4.21Å; I346-T393 HydrophobicContact CG2-CG2 3.62Å; I346-T393 WeakPolarHBondContact CG2-OG1 3.4Å; I346-T393 PolarHBondContact O-N 3.46Å; T393-H395 PolarHBondContact O-N 3.31Å; T393-H395 PolarHBondContact O-ND1 3.37Å
394	P	91.3	Very high	81.9	Confident	38 Å²	38	43.3 Å²	43.3	25%	0.247	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	120.6	173.9	-27.2	36.8	0	0	0	114	Y262 T425 K455 H456 A457	Y262-P394 HydrophobicContact CD1-CG 4.46Å; Y262-P394 HydrophobicContact CD2-CG 4.03Å; Y262-P394 HydrophobicContact CG-CG 3.86Å; P394-T425 HydrophobicContact CB-CG2 4.09Å; P394-T425 HydrophobicContact CG-CG2 3.92Å; P394-K455 HydrophobicContact CB-CD 4.42Å; P394-K455 HydrophobicContact CB-CG 4.42Å; P394-H456 CarbonylContact C-O 3.56Å; P394-H456 VanDerWaalsContact CA-O 3.29Å; P394-H456 WeakPolarHBondContact CA-O 3.49Å; P394-A457 HydrophobicContact CB-CB 4.37Å; P394-A457 HydrophobicContact CG-CB 3.97Å
395	H	91.7	Very high	81.8	Confident	31 Å²	31	45.7 Å²	45.7	14%	0.144	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	174.8	-178.8	65.5	-70.5	0	0	0	111.4	Y392 T393 D397 K455 H456	Y392-H395 AromaticContact CD1-CE1 3.22Å; Y392-H395 WeakPolarHBondContact CD1-CE1 3.38Å; Y392-H395 AromaticContact CD1-CG 3.94Å; Y392-H395 AromaticContact CD1-ND1 3.16Å; Y392-H395 WeakPolarHBondContact CD1-ND1 3.32Å; Y392-H395 AromaticContact CD1-NE2 3.96Å; Y392-H395 HydrophobicContact CE1-CB 4.09Å; Y392-H395 AromaticContact CE1-CD2 3.61Å; Y392-H395 AromaticContact CE1-CE1 3.18Å; Y392-H395 WeakPolarHBondContact CE1-CE1 3.49Å; Y392-H395 AromaticContact CE1-CG 3.35Å; Y392-H395 AromaticContact CE1-ND1 3.08Å; Y392-H395 WeakPolarHBondContact CE1-ND1 3.46Å; Y392-H395 AromaticContact CE1-NE2 3.47Å; Y392-H395 WeakPolarHBondContact CE1-NE2 3.42Å; Y392-H395 AromaticContact CE2-NE2 3.99Å; Y392-H395 AromaticContact CG-CE1 3.71Å; Y392-H395 AromaticContact CZ-CD2 3.78Å; Y392-H395 AromaticContact CZ-CE1 3.6Å; Y392-H395 AromaticContact CZ-ND1 3.92Å; Y392-H395 AromaticContact CZ-NE2 3.47Å; T393-H395 PolarHBondContact O-N 3.31Å; T393-H395 PolarHBondContact O-ND1 3.37Å; H395-D397 IonicContact CD2-OD1 3.13Å; H395-D397 IonicContact NE2-OD1 2.74Å; H395-K455 WeakPolarHBondContact O-CA 3.34Å; H395-H456 AromaticContact CE1-CD2 3.8Å; H395-H456 AromaticContact CE1-NE2 3.47Å; H395-H456 PolarHBondContact CE1-NE2 3.44Å; H395-H456 PolarHBondContact N-O 3.14Å; H395-H456 PolarHBondContact ND1-O 2.81Å; H395-H456 AromaticContact NE2-CE1 3.81Å; H395-H456 AromaticContact NE2-NE2 3.32Å; H395-H456 PolarHBondContact NE2-NE2 2.86Å; H395-H456 PolarHBondContact O-N 2.88Å
396	F	92	Very high	81.8	Confident	57 Å²	57	45.8 Å²	45.8	25%	0.25	24%	0.244	C	C	.	.			trans	-112.3	146.2	167.6	-64	-76.1	0	0	0	108.6	T398 L450 L452 K455	F396-T398 PolarHBondContact O-N 3.5Å; F396-T398 VanDerWaalsContact O-N 3.17Å; F396-L450 HydrophobicContact CB-CD1 4.14Å; F396-L450 HydrophobicContact CB-CD2 4.49Å; F396-L450 HydrophobicContact CD1-CD1 3.7Å; F396-L450 HydrophobicContact CD1-CD2 4.2Å; F396-L450 HydrophobicContact CD1-CG 4.38Å; F396-L450 HydrophobicContact CD2-CD2 4.09Å; F396-L450 HydrophobicContact CE1-CD1 4.27Å; F396-L450 HydrophobicContact CE1-CD2 4.4Å; F396-L450 HydrophobicContact CE2-CD2 4.32Å; F396-L450 HydrophobicContact CG-CD1 4.02Å; F396-L450 HydrophobicContact CG-CD2 4.02Å; F396-L450 HydrophobicContact CZ-CD2 4.46Å; F396-L452 HydrophobicContact CE1-CD2 4.34Å; F396-L452 WeakPolarHBondContact CE1-O 3.05Å; F396-L452 HydrophobicContact CE2-CD2 4.32Å; F396-L452 HydrophobicContact CZ-CB 4.47Å; F396-L452 HydrophobicContact CZ-CD2 3.78Å; F396-K455 HydrophobicContact CD1-CB 4.04Å; F396-K455 HydrophobicContact CD1-CG 4.42Å; F396-K455 HydrophobicContact CE1-CB 3.39Å; F396-K455 HydrophobicContact CE1-CG 4Å; F396-K455 HydrophobicContact CE2-CB 4.34Å; F396-K455 HydrophobicContact CE2-CD 4.12Å; F396-K455 HydrophobicContact CE2-CG 4.11Å; F396-K455 HydrophobicContact CZ-CB 3.57Å; F396-K455 HydrophobicContact CZ-CD 3.97Å; F396-K455 HydrophobicContact CZ-CG 3.83Å
397	D	90.7	Very high	82.1	Confident	3 Å²	3	45.2 Å²	45.2	2%	0.016	24%	0.242	C	C	.	.	S	Bend	trans	-86.4	51	170.8	-84	-26.5	0	0	0	110.1	H395 R405 T408 N443 H456 W472	H395-D397 IonicContact CD2-OD1 3.13Å; H395-D397 IonicContact NE2-OD1 2.74Å; D397-R405 WeakPolarHBondContact O-CB 3.09Å; D397-R405 WeakPolarHBondContact O-CD 3.39Å; D397-R405 IonicContact OD1-NH1 3.1Å; D397-T408 WeakPolarHBondContact CB-OG1 3.44Å; D397-T408 WeakPolarHBondContact OD2-CB 3.27Å; D397-T408 VanDerWaalsContact OD2-CG2 3.27Å; D397-T408 WeakPolarHBondContact OD2-CG2 3.03Å; D397-T408 PolarHBondContact OD2-OG1 3.24Å; D397-N443 PolarHBondContact O-ND2 3.21Å; D397-H456 IonicContact OD1-CE1 3.44Å; D397-H456 IonicContact OD2-CE1 3.68Å; D397-H456 PolarHBondContact OD2-CE1 3.24Å; D397-H456 IonicContact OD2-NE2 3.67Å; D397-W472 VanDerWaalsContact CG-NE1 3.27Å; D397-W472 PolarHBondContact OD1-NE1 2.94Å; D397-W472 PolarHBondContact OD2-NE1 2.64Å
398	T	83.2	Confident	82.7	Confident	36 Å²	36	45.2 Å²	45.2	22%	0.221	24%	0.241	C	C	.	.			trans	-139.6	144.6	175	62.6	0	0	0	0	109.2	F396 E404 N443 L444 L450	F396-T398 PolarHBondContact O-N 3.5Å; F396-T398 VanDerWaalsContact O-N 3.17Å; T398-E404 VanDerWaalsContact CA-OE2 3.25Å; T398-E404 WeakPolarHBondContact CA-OE2 3.47Å; T398-E404 WeakPolarHBondContact CB-OE2 3.36Å; T398-N443 HydrophobicContact CG2-CB 3.76Å; T398-L444 HydrophobicContact CG2-CD2 3.65Å; T398-L450 HydrophobicContact CG2-CD1 3.66Å
399	G	65.9	Low	83.4	Confident	36 Å²	36	42.9 Å²	42.9	37%	0.371	23%	0.229	S	C	.	.			trans	-105.2	-161.5	173.9	0	0	0	0	0	113.2	E404	G399-E404 WeakPolarHBondContact CA-OE1 3.06Å; G399-E404 VanDerWaalsContact N-CD 3.33Å; G399-E404 PolarHBondContact N-OE1 3.3Å; G399-E404 PolarHBondContact N-OE2 2.88Å
400	D	57.7	Low	84.3	Confident	162 Å²	162	42.8 Å²	42.8	87%	0.866	23%	0.226	S	C	*	.	S	Bend	trans	-105.4	30.6	173.1	-75.8	-41.8	0	0	0	111.2	E404	D400-E404 PolarHBondContact N-OE1 2.93Å
401	E	63.1	Low	85.2	Confident	146 Å²	146	42.9 Å²	42.9	68%	0.682	23%	0.227	S	C	*	.	S	Bend	trans	-104.6	161.7	-170.7	-67	-164.9	173.7	0	0	114.3	N403 E404	E401-N403 PolarHBondContact O-N 3.43Å; E401-E404 PolarHBondContact N-OE1 2.63Å
402	V	68	Low	86	Confident	131 Å²	131	40 Å²	40	79%	0.794	22%	0.216	S	C	*	.	S	Bend	trans	-72.8	-4.6	-179	-177.5	0	0	0	0	112.6	F476	V402-F476 HydrophobicContact CG1-CZ 4.36Å; V402-F476 WeakPolarHBondContact O-CE1 3.26Å; V402-F476 WeakPolarHBondContact O-CZ 3.37Å
403	N	77.6	Confident	87	Confident	32 Å²	32	38.1 Å²	38.1	17%	0.171	21%	0.208	C	C	.	.	S	Bend	trans	-141.6	74.4	-178	-179.7	31.1	0	0	0	110.5	E401 H474 F476	E401-N403 PolarHBondContact O-N 3.43Å; N403-H474 PolarHBondContact ND2-ND1 3.48Å; N403-H474 VanDerWaalsContact ND2-ND1 3.1Å; N403-H474 PolarHBondContact O-CE1 3.49Å; N403-H474 PolarHBondContact O-ND1 3.46Å; N403-H474 WeakPolarHBondContact OD1-CB 3.42Å; N403-F476 HydrophobicContact CB-CD1 4.17Å; N403-F476 HydrophobicContact CB-CD2 3.87Å; N403-F476 HydrophobicContact CB-CE1 4.02Å; N403-F476 HydrophobicContact CB-CE2 3.74Å; N403-F476 HydrophobicContact CB-CG 4.1Å; N403-F476 HydrophobicContact CB-CZ 3.82Å; N403-F476 VanDerWaalsContact CG-CD2 3.48Å; N403-F476 VanDerWaalsContact CG-CG 3.43Å; N403-F476 WeakPolarHBondContact OD1-CB 3.23Å; N403-F476 WeakPolarHBondContact OD1-CD1 3.44Å; N403-F476 WeakPolarHBondContact OD1-CG 3.3Å; N403-F476 PolarHBondContact OD1-N 3.13Å
404	E	84.7	Confident	87.5	Confident	26 Å²	26	36.9 Å²	36.9	12%	0.121	20%	0.202	C	C	.	.			trans	-70	156.3	-173	-78.4	-57	140	0	0	114	T398 G399 D400 E401 T406 L444 H474 E475	T398-E404 VanDerWaalsContact CA-OE2 3.25Å; T398-E404 WeakPolarHBondContact CA-OE2 3.47Å; T398-E404 WeakPolarHBondContact CB-OE2 3.36Å; G399-E404 WeakPolarHBondContact CA-OE1 3.06Å; G399-E404 VanDerWaalsContact N-CD 3.33Å; G399-E404 PolarHBondContact N-OE1 3.3Å; G399-E404 PolarHBondContact N-OE2 2.88Å; D400-E404 PolarHBondContact N-OE1 2.93Å; E401-E404 PolarHBondContact N-OE1 2.63Å; E404-T406 PolarHBondContact O-N 3.29Å; E404-L444 HydrophobicContact CB-CD1 3.67Å; E404-L444 HydrophobicContact CB-CD2 4.43Å; E404-H474 CarbonylContact O-C 3.59Å; E404-H474 WeakPolarHBondContact O-CA 3.46Å; E404-E475 PolarHBondContact O-N 3.27Å
405	R	93.5	Very high	87.7	Confident	51 Å²	51	39.5 Å²	39.5	19%	0.192	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	94.8	172.7	-63.6	172.8	168.6	-178.3	-4.6	109.4	E379 D397 A407 N443 W472 I473	E379-R405 VanDerWaalsContact CD-NH2 3.29Å; E379-R405 IonicContact OE1-CZ 3.34Å; E379-R405 IonicContact OE1-NE 3.39Å; E379-R405 PolarHBondContact OE1-NE 3.37Å; E379-R405 IonicContact OE1-NH2 3.7Å; E379-R405 PolarHBondContact OE1-NH2 2.9Å; E379-R405 IonicContact OE2-NH2 2.73Å; E379-R405 PolarHBondContact OE2-NH2 3.42Å; D397-R405 WeakPolarHBondContact O-CB 3.09Å; D397-R405 WeakPolarHBondContact O-CD 3.39Å; D397-R405 IonicContact OD1-NH1 3.1Å; R405-A407 VanDerWaalsContact C-N 3.26Å; R405-A407 PolarHBondContact O-N 3.47Å; R405-N443 VanDerWaalsContact O-CB 3.31Å; R405-N443 WeakPolarHBondContact O-CB 3.27Å; R405-N443 PolarHBondContact O-ND2 3.46Å; R405-W472 HydrophobicContact CB-CB 4.46Å; R405-W472 HydrophobicContact CG-CB 3.87Å; R405-W472 HydrophobicContact CG-CG 4.31Å; R405-W472 VanDerWaalsContact CZ-CE2 3.48Å; R405-W472 VanDerWaalsContact NH2-CD2 3.34Å; R405-I473 CarbonylContact C-O 3.56Å; R405-I473 VanDerWaalsContact C-O 3.28Å; R405-I473 WeakPolarHBondContact CA-O 3.21Å
406	T	94.1	Very high	87.9	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	-33	179.4	-165.9	0	0	0	0	113.7	E404 Y442 N443 L444 I473 Q478 R482	E404-T406 PolarHBondContact O-N 3.29Å; T406-Y442 CarbonylContact O-C 3.28Å; T406-Y442 WeakPolarHBondContact O-CA 3.47Å; T406-N443 PolarHBondContact O-N 2.9Å; T406-L444 PolarHBondContact O-N 2.93Å; T406-I473 HydrophobicContact CG2-CB 4.37Å; T406-I473 HydrophobicContact CG2-CG2 4.02Å; T406-I473 WeakPolarHBondContact CG2-O 3.41Å; T406-I473 PolarHBondContact N-O 3.1Å; T406-Q478 HydrophobicContact CG2-CG 4.41Å; T406-R482 PolarHBondContact OG1-NH1 3.44Å
407	A	96.6	Very high	87.9	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	153.9	-177.5	0	0	0	0	0	112.8	L373 R405 F440 W441 Y442 I473	L373-A407 HydrophobicContact CD1-CB 4.04Å; R405-A407 VanDerWaalsContact C-N 3.26Å; R405-A407 PolarHBondContact O-N 3.47Å; A407-F440 HydrophobicContact CB-CE2 3.56Å; A407-F440 HydrophobicContact CB-CZ 3.9Å; A407-W441 WeakPolarHBondContact CA-O 3.44Å; A407-W441 WeakPolarHBondContact CB-O 3.28Å; A407-Y442 HydrophobicContact CB-CD1 3.87Å; A407-Y442 HydrophobicContact CB-CE1 4.23Å; A407-I473 PolarHBondContact N-O 3.39Å; A407-I473 PolarHBondContact O-N 3.13Å
408	T	98	Very high	88	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	135.1	175.2	-59.7	0	0	0	0	110.1	D397 F440 W441 N443	D397-T408 WeakPolarHBondContact CB-OG1 3.44Å; D397-T408 WeakPolarHBondContact OD2-CB 3.27Å; D397-T408 VanDerWaalsContact OD2-CG2 3.27Å; D397-T408 WeakPolarHBondContact OD2-CG2 3.03Å; D397-T408 PolarHBondContact OD2-OG1 3.24Å; T408-F440 WeakPolarHBondContact O-CA 3.45Å; T408-F440 WeakPolarHBondContact O-CD2 3.44Å; T408-W441 VanDerWaalsContact CB-CZ2 3.44Å; T408-W441 HydrophobicContact CG2-CH2 3.47Å; T408-W441 VanDerWaalsContact CG2-CH2 3.47Å; T408-W441 HydrophobicContact CG2-CZ2 3.42Å; T408-W441 VanDerWaalsContact CG2-CZ2 3.42Å; T408-W441 HydrophobicContact CG2-CZ3 4.18Å; T408-W441 PolarHBondContact N-O 3.28Å; T408-W441 PolarHBondContact O-N 3.32Å; T408-N443 PolarHBondContact OG1-ND2 3.31Å; T408-N443 PolarHBondContact OG1-OD1 2.83Å
409	F	98.4	Very high	88.5	Confident	1 Å²	1	44.9 Å²	44.9	0%	0.004	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	101.6	171.6	-163.3	-80.3	0	0	0	109.1	Y313 I367 I370 T371 I411 A438 F440 K471	Y313-F409 AromaticContact CD2-CE2 3.76Å; Y313-F409 HydrophobicContact CD2-CE2 3.76Å; Y313-F409 HydrophobicContact CD2-CZ 4.2Å; Y313-F409 HydrophobicContact CE2-CE2 4.08Å; I367-F409 HydrophobicContact CD1-CD1 3.88Å; I367-F409 HydrophobicContact CD1-CE1 4.26Å; I367-F409 HydrophobicContact CD1-CG 4.42Å; I367-F409 HydrophobicContact CG1-CD1 3.79Å; I367-F409 HydrophobicContact CG1-CE1 3.77Å; I367-F409 HydrophobicContact CG1-CG 4.24Å; I367-F409 HydrophobicContact CG1-CZ 4.22Å; I367-F409 HydrophobicContact CG2-CB 4.16Å; I367-F409 HydrophobicContact CG2-CD1 4.32Å; I367-F409 HydrophobicContact CG2-CD2 3.94Å; I367-F409 HydrophobicContact CG2-CE2 4.41Å; I367-F409 HydrophobicContact CG2-CG 3.89Å; I370-F409 HydrophobicContact CD1-CZ 4.41Å; I370-F409 HydrophobicContact CG2-CE2 4.14Å; T371-F409 HydrophobicContact CG2-CD2 3.71Å; T371-F409 HydrophobicContact CG2-CE2 3.95Å; F409-I411 HydrophobicContact CD1-CD1 4.28Å; F409-I411 HydrophobicContact CD1-CG1 3.79Å; F409-I411 HydrophobicContact CE1-CD1 4.19Å; F409-I411 HydrophobicContact CE1-CG1 3.7Å; F409-A438 HydrophobicContact CD1-CB 3.87Å; F409-A438 HydrophobicContact CE1-CB 3.19Å; F409-A438 HydrophobicContact CE2-CB 4.37Å; F409-A438 HydrophobicContact CZ-CB 3.49Å; F409-A438 VanDerWaalsContact CZ-CB 3.49Å; F409-F440 HydrophobicContact CB-CD2 4.35Å; F409-F440 HydrophobicContact CD2-CB 4.01Å; F409-F440 AromaticContact CD2-CD2 3.79Å; F409-F440 HydrophobicContact CD2-CD2 3.79Å; F409-F440 HydrophobicContact CD2-CG 4.25Å; F409-F440 HydrophobicContact CE2-CB 4.4Å; F409-K471 HydrophobicContact CB-CB 4.3Å; F409-K471 PolarHBondContact N-O 3.49Å; F409-K471 PolarHBondContact O-N 3.4Å
410	L	98.5	Very high	89.9	Confident	9 Å²	9	43.2 Å²	43.2	5%	0.047	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	111.9	-177.5	171.7	68.8	0	0	0	110	Y412 T422 A438 V439 W441 V468 N470	L410-Y412 HydrophobicContact CD2-CE1 4.26Å; L410-T422 HydrophobicContact CD2-CG2 4.13Å; L410-T422 WeakPolarHBondContact CD2-OG1 3.43Å; L410-A438 CarbonylContact O-C 3.52Å; L410-A438 WeakPolarHBondContact O-CA 3.46Å; L410-A438 WeakPolarHBondContact O-CB 3.39Å; L410-V439 PolarHBondContact N-O 3.49Å; L410-V439 PolarHBondContact O-N 3.46Å; L410-W441 HydrophobicContact CB-CH2 4.02Å; L410-W441 HydrophobicContact CB-CZ3 3.97Å; L410-W441 HydrophobicContact CD2-CH2 4.38Å; L410-V468 HydrophobicContact CD1-CB 3.7Å; L410-V468 HydrophobicContact CD1-CG1 4.06Å; L410-V468 HydrophobicContact CD1-CG2 4.03Å; L410-N470 WeakPolarHBondContact CD1-OD1 3.42Å
411	I	98.7	Very high	91.7	Very high	2 Å²	2	36 Å²	36	1%	0.01	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	132.5	176.9	-59.6	167.3	0	0	0	109.6	I317 I363 I367 L381 F409 M413 A438 V468 A469	I317-I411 HydrophobicContact CG2-CG2 3.74Å; I363-I411 HydrophobicContact CG2-CD1 3.88Å; I367-I411 HydrophobicContact CD1-CD1 4.26Å; L381-I411 HydrophobicContact CD1-CD1 4.47Å; F409-I411 HydrophobicContact CD1-CD1 4.28Å; F409-I411 HydrophobicContact CD1-CG1 3.79Å; F409-I411 HydrophobicContact CE1-CD1 4.19Å; F409-I411 HydrophobicContact CE1-CG1 3.7Å; I411-M413 HydrophobicContact CG2-CG 4.06Å; I411-A438 HydrophobicContact CG1-CB 4.03Å; I411-V468 CarbonylContact O-C 3.53Å; I411-V468 WeakPolarHBondContact O-CA 3.37Å; I411-V468 WeakPolarHBondContact O-CB 3.4Å; I411-A469 HydrophobicContact CB-CB 4.23Å; I411-A469 WeakPolarHBondContact CB-O 3.33Å; I411-A469 PolarHBondContact N-O 3.32Å; I411-A469 PolarHBondContact O-N 2.92Å
412	Y	98.5	Very high	93.3	Very high	1 Å²	1	29.2 Å²	29.2	0%	0.004	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	118.1	168.4	-67.3	-66.8	0	0	0	110	L410 T422 P433 E434 G436 S437 V439 V468	L410-Y412 HydrophobicContact CD2-CE1 4.26Å; Y412-T422 WeakPolarHBondContact OH-CB 3.46Å; Y412-T422 PolarHBondContact OH-OG1 3.36Å; Y412-P433 HydrophobicContact CD1-CB 3.59Å; Y412-P433 HydrophobicContact CD1-CG 4.19Å; Y412-P433 HydrophobicContact CE1-CB 3.79Å; Y412-P433 HydrophobicContact CE1-CG 3.9Å; Y412-P433 HydrophobicContact CG-CB 4.09Å; Y412-E434 VanDerWaalsContact CB-O 3.26Å; Y412-E434 WeakPolarHBondContact CB-O 3.35Å; Y412-G436 PolarHBondContact O-N 3.02Å; Y412-S437 PolarHBondContact N-O 2.89Å; Y412-V439 HydrophobicContact CD2-CG2 4.38Å; Y412-V439 HydrophobicContact CE2-CG2 3.56Å; Y412-V468 HydrophobicContact CD1-CG1 3.75Å; Y412-V468 HydrophobicContact CE1-CG1 4.09Å
413	M	98.2	Very high	94.7	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.124	C	C	.	.			trans	-101.8	4	-179.1	-65.5	-162.2	-61.6	0	0	112.9	I322 L325 V383 I411 W467 A469	I322-M413 HydrophobicContact CG1-CB 4.34Å; I322-M413 HydrophobicContact CG1-CG 4.29Å; I322-M413 HydrophobicContact CG2-CB 4Å; I322-M413 WeakPolarHBondContact CG2-O 3.49Å; L325-M413 HydrophobicContact CB-SD 3.95Å; L325-M413 HydrophobicContact CD1-SD 3.54Å; L325-M413 VanDerWaalsContact CD1-SD 3.54Å; L325-M413 HydrophobicContact CG-SD 4.41Å; V383-M413 HydrophobicContact CB-CE 4.46Å; V383-M413 HydrophobicContact CG1-CE 3.61Å; V383-M413 HydrophobicContact CG2-CE 4.17Å; I411-M413 HydrophobicContact CG2-CG 4.06Å; M413-W467 HydrophobicContact CB-CB 3.8Å; M413-W467 HydrophobicContact CE-CB 4.3Å; M413-W467 HydrophobicContact CE-CE3 4.1Å; M413-W467 PolarHBondContact N-O 3.1Å; M413-A469 HydrophobicContact CE-CB 4.11Å; M413-A469 HydrophobicContact SD-CB 4.14Å
414	S	96.7	Very high	95.6	Very high	12 Å²	12	21.5 Å²	21.5	8%	0.084	12%	0.116	C	C	.	.	S	Bend	trans	-149.4	155.4	173.8	66.5	0	0	0	0	110.3	N465 K466 W467	S414-N465 WeakPolarHBondContact CB-O 3.23Å; S414-N465 PolarHBondContact OG-O 3.24Å; S414-K466 WeakPolarHBondContact OG-CA 3.38Å; S414-W467 PolarHBondContact OG-N 3.37Å
415	D	96.2	Very high	96.1	Very high	92 Å²	92	20.7 Å²	20.7	49%	0.492	11%	0.113	S	C	.	.			trans	-76	157.4	160.2	-62	-59	0	0	0	108.7	K435	D415-K435 WeakPolarHBondContact OD1-CB 3.27Å; D415-K435 PolarHBondContact OD1-N 2.91Å; D415-K435 WeakPolarHBondContact OD2-CB 3.28Å
416	V	94.7	Very high	96.1	Very high	17 Å²	17	22.6 Å²	22.6	10%	0.103	13%	0.127	C	C	.	.			trans	-131	120.2	171.4	178.3	0	0	0	0	107.3	P433 V461 V463 K466	V416-P433 HydrophobicContact CB-CB 4.09Å; V416-P433 HydrophobicContact CB-CG 3.9Å; V416-P433 HydrophobicContact CG2-CB 3.82Å; V416-P433 HydrophobicContact CG2-CG 3.77Å; V416-V461 HydrophobicContact CG1-CG1 3.86Å; V416-V463 WeakPolarHBondContact CG1-O 3.46Å; V416-K466 HydrophobicContact CG2-CB 3.7Å; V416-K466 HydrophobicContact CG2-CD 4.39Å; V416-K466 HydrophobicContact CG2-CG 3.9Å
417	E	93	Very high	96.1	Very high	135 Å²	135	23 Å²	23	63%	0.631	13%	0.13	S	C	*	.	S	Bend	trans	-65.1	-47.6	-173.7	-64.7	84.6	167.3	0	0	111	V463 G464	E417-V463 HydrophobicContact CB-CB 4.36Å; E417-V463 HydrophobicContact CB-CG1 4.15Å; E417-V463 PolarHBondContact N-O 3.4Å; E417-G464 WeakPolarHBondContact OE2-CA 3.26Å; E417-G464 PolarHBondContact OE2-N 2.9Å
418	V	92.4	Very high	96	Very high	68 Å²	68	23.3 Å²	23.3	41%	0.412	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	130.2	-179.8	-165	0	0	0	0	111.4	L462 V463	V418-L462 HydrophobicContact CB-CB 4.27Å; V418-L462 HydrophobicContact CB-CD2 4.46Å; V418-L462 HydrophobicContact CB-CG 4.5Å; V418-L462 HydrophobicContact CG1-CB 4.19Å; V418-L462 HydrophobicContact CG1-CD2 3.72Å; V418-L462 HydrophobicContact CG1-CG 4.26Å; V418-L462 WeakPolarHBondContact O-CB 3.32Å; V418-L462 PolarHBondContact O-N 3.27Å; V418-V463 HydrophobicContact CB-CB 4.06Å; V418-V463 HydrophobicContact CB-CG2 4.26Å; V418-V463 HydrophobicContact CG2-CB 4.11Å; V418-V463 HydrophobicContact CG2-CG2 4.25Å; V418-V463 PolarHBondContact N-O 3.4Å; V418-V463 PolarHBondContact O-N 3.47Å
419	G	93.7	Very high	95.8	Very high	21 Å²	21	23.3 Å²	23.3	22%	0.216	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	82.2	-150.1	-179.1	0	0	0	0	0	112.6	Y141 A421	Y141-G419 WeakPolarHBondContact OH-CA 3.22Å; G419-A421 PolarHBondContact O-N 2.92Å
420	G	94.7	Very high	95.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.14	C	C	.	.			trans	67.9	2.9	173	0	0	0	0	0	116.6	P433 C459 P460 K466	G420-P433 WeakPolarHBondContact O-CG 3.27Å; G420-C459 WeakPolarHBondContact CA-O 3.46Å; G420-P460 PolarHBondContact N-O 2.95Å; G420-K466 WeakPolarHBondContact O-CE 3.43Å; G420-K466 PolarHBondContact O-NZ 3.42Å
421	A	96.4	Very high	95.6	Very high	10 Å²	10	23.8 Å²	23.8	8%	0.083	14%	0.138	C	C	.	.			trans	-59.3	148.9	179.2	0	0	0	0	0	112.9	G419 V423 V431 C459	G419-A421 PolarHBondContact O-N 2.92Å; A421-V423 HydrophobicContact CB-CG1 4.31Å; A421-V431 CarbonylContact C-O 3.57Å; A421-V431 VanDerWaalsContact CA-O 3.32Å; A421-V431 WeakPolarHBondContact CA-O 3.48Å; A421-V431 WeakPolarHBondContact CB-O 3.29Å; A421-C459 HydrophobicContact CB-CB 4.47Å; A421-C459 WeakPolarHBondContact O-CB 3.15Å; A421-C459 PolarHBondContact O-N 2.87Å; A421-C459 PolarHBondContact O-SG 3.26Å
422	T	97	Very high	95.5	Very high	5 Å²	5	31.2 Å²	31.2	3%	0.031	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	121.1	164.2	-58.7	0	0	0	0	107.9	L410 Y412 F424 V431 A457	L410-T422 HydrophobicContact CD2-CG2 4.13Å; L410-T422 WeakPolarHBondContact CD2-OG1 3.43Å; Y412-T422 WeakPolarHBondContact OH-CB 3.46Å; Y412-T422 PolarHBondContact OH-OG1 3.36Å; T422-F424 HydrophobicContact CG2-CE2 4.32Å; T422-V431 PolarHBondContact N-O 3.23Å; T422-V431 PolarHBondContact O-N 3.08Å; T422-A457 CarbonylContact C-O 3.41Å; T422-A457 WeakPolarHBondContact CA-O 3.35Å
423	V	96.6	Very high	95.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	138.4	-174.5	-62.2	0	0	0	0	110.7	Y262 L265 A421 T425 V429 A430 H456 A457 C459	Y262-V423 HydrophobicContact CD2-CG2 3.6Å; Y262-V423 HydrophobicContact CE2-CG2 3.91Å; L265-V423 HydrophobicContact CB-CB 3.88Å; L265-V423 HydrophobicContact CB-CG1 3.76Å; L265-V423 HydrophobicContact CB-CG2 4.33Å; L265-V423 HydrophobicContact CD1-CB 4.19Å; A421-V423 HydrophobicContact CB-CG1 4.31Å; V423-T425 HydrophobicContact CG2-CG2 4.38Å; V423-V429 CarbonylContact C-O 3.59Å; V423-V429 WeakPolarHBondContact CA-O 3.22Å; V423-A430 HydrophobicContact CG1-CB 3.76Å; V423-H456 CarbonylContact O-C 3.59Å; V423-H456 WeakPolarHBondContact O-CA 3.36Å; V423-H456 WeakPolarHBondContact O-CB 3.46Å; V423-A457 HydrophobicContact CG2-CB 3.88Å; V423-A457 PolarHBondContact N-O 2.87Å; V423-A457 PolarHBondContact O-N 3.45Å; V423-C459 WeakPolarHBondContact CG1-SG 3.26Å
424	F	96.8	Very high	95.5	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	100.7	175.8	-65.1	-98.8	0	0	0	108.6	I310 T422 N426 V427 G428 V429 V431 V439 W441 K455 H456	I310-F424 HydrophobicContact CD1-CB 4.1Å; I310-F424 HydrophobicContact CD1-CD1 3.63Å; I310-F424 HydrophobicContact CD1-CD2 3.64Å; I310-F424 HydrophobicContact CD1-CE1 3.88Å; I310-F424 HydrophobicContact CD1-CE2 3.89Å; I310-F424 HydrophobicContact CD1-CG 3.51Å; I310-F424 HydrophobicContact CD1-CZ 4.01Å; I310-F424 HydrophobicContact CG1-CD1 4.36Å; I310-F424 HydrophobicContact CG1-CE1 4.15Å; I310-F424 HydrophobicContact CG1-CE2 4.43Å; I310-F424 HydrophobicContact CG1-CZ 4.19Å; I310-F424 HydrophobicContact CG2-CD2 4.49Å; I310-F424 HydrophobicContact CG2-CE2 3.78Å; I310-F424 HydrophobicContact CG2-CZ 3.87Å; T422-F424 HydrophobicContact CG2-CE2 4.32Å; F424-N426 PolarHBondContact O-N 3.34Å; F424-V427 HydrophobicContact CB-CG2 3.37Å; F424-V427 HydrophobicContact CG-CG2 4.37Å; F424-V427 PolarHBondContact O-N 3.44Å; F424-G428 PolarHBondContact O-N 3.22Å; F424-V429 PolarHBondContact N-O 3.24Å; F424-V429 PolarHBondContact O-N 3.03Å; F424-V431 HydrophobicContact CD2-CG2 4.32Å; F424-V431 HydrophobicContact CE2-CG2 3.94Å; F424-V439 HydrophobicContact CZ-CG1 4.49Å; F424-W441 AromaticContact CE1-CD2 3.77Å; F424-W441 HydrophobicContact CE1-CD2 3.77Å; F424-W441 HydrophobicContact CE1-CE3 4.15Å; F424-W441 AromaticContact CE1-CG 3.94Å; F424-W441 HydrophobicContact CE1-CG 3.94Å; F424-W441 AromaticContact CZ-CD2 3.79Å; F424-W441 HydrophobicContact CZ-CD2 3.79Å; F424-W441 AromaticContact CZ-CE3 3.67Å; F424-W441 HydrophobicContact CZ-CE3 3.67Å; F424-W441 HydrophobicContact CZ-CG 4.3Å; F424-W441 HydrophobicContact CZ-CZ3 4.05Å; F424-K455 CarbonylContact C-O 3.52Å; F424-K455 WeakPolarHBondContact CA-O 3.4Å; F424-H456 HydrophobicContact CD1-CB 3.77Å; F424-H456 HydrophobicContact CE1-CB 3.93Å; F424-H456 HydrophobicContact CG-CB 4.2Å; F424-H456 HydrophobicContact CZ-CB 4.49Å
425	T	94.8	Very high	95.5	Very high	9 Å²	9	37.3 Å²	37.3	6%	0.055	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-30.3	-163.2	54.7	0	0	0	0	114.8	S261 Y262 P394 V423 K455 A457	S261-T425 PolarHBondContact OG-O 3.02Å; Y262-T425 HydrophobicContact CD2-CG2 4.37Å; P394-T425 HydrophobicContact CB-CG2 4.09Å; P394-T425 HydrophobicContact CG-CG2 3.92Å; V423-T425 HydrophobicContact CG2-CG2 4.38Å; T425-K455 PolarHBondContact N-O 3.49Å; T425-K455 WeakPolarHBondContact OG1-CG 3.14Å; T425-K455 PolarHBondContact OG1-O 3.48Å; T425-A457 HydrophobicContact CG2-CB 4.48Å
426	N	94.4	Very high	95.7	Very high	91 Å²	91	33.2 Å²	33.2	49%	0.487	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-23.8	-178.4	-75.5	-2.5	0	0	0	113	F424 L452	F424-N426 PolarHBondContact O-N 3.34Å; N426-L452 PolarHBondContact ND2-O 2.99Å
427	V	94	Very high	95.8	Very high	11 Å²	11	32.4 Å²	32.4	7%	0.067	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-13.2	176.4	-64.1	0	0	0	0	113.5	E272 W305 I310 F424 V429 K453	E272-V427 WeakPolarHBondContact CB-O 3.49Å; E272-V427 WeakPolarHBondContact CG-O 3.49Å; W305-V427 HydrophobicContact CD2-CB 4.46Å; W305-V427 HydrophobicContact CZ2-CB 3.76Å; W305-V427 HydrophobicContact CZ2-CG1 4.21Å; I310-V427 HydrophobicContact CD1-CG2 4.15Å; F424-V427 HydrophobicContact CB-CG2 3.37Å; F424-V427 HydrophobicContact CG-CG2 4.37Å; F424-V427 PolarHBondContact O-N 3.44Å; V427-V429 HydrophobicContact CG2-CB 4.27Å; V427-V429 HydrophobicContact CG2-CG2 4.04Å; V427-K453 HydrophobicContact CG1-CB 3.69Å; V427-K453 HydrophobicContact CG1-CD 4.45Å; V427-K453 HydrophobicContact CG1-CG 4.19Å
428	G	94.2	Very high	96.1	Very high	6 Å²	6	26 Å²	26	6%	0.062	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	37.6	175.3	0	0	0	0	0	114.1	L265 E272 F424	L265-G428 WeakPolarHBondContact CD2-O 3.24Å; E272-G428 PolarHBondContact N-O 2.85Å; F424-G428 PolarHBondContact O-N 3.22Å
429	V	94.9	Very high	96.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	134	-179.7	179.2	0	0	0	0	110.9	R273 W305 V423 F424 V427 V431	R273-V429 HydrophobicContact CG-CG2 3.97Å; W305-V429 HydrophobicContact CB-CG2 4.49Å; W305-V429 HydrophobicContact CD2-CG2 3.76Å; W305-V429 HydrophobicContact CE3-CG2 3.31Å; W305-V429 HydrophobicContact CG-CG2 4.28Å; W305-V429 HydrophobicContact CH2-CG2 4.34Å; W305-V429 HydrophobicContact CZ3-CG2 3.62Å; V423-V429 CarbonylContact C-O 3.59Å; V423-V429 WeakPolarHBondContact CA-O 3.22Å; F424-V429 PolarHBondContact N-O 3.24Å; F424-V429 PolarHBondContact O-N 3.03Å; V427-V429 HydrophobicContact CG2-CB 4.27Å; V427-V429 HydrophobicContact CG2-CG2 4.04Å; V429-V431 HydrophobicContact CG1-CG2 4.38Å
430	A	95.8	Very high	96.6	Very high	19 Å²	19	22 Å²	22	16%	0.157	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	131.4	172.2	0	0	0	0	0	111.2	R273 V423	R273-A430 PolarHBondContact NH1-O 2.91Å; R273-A430 PolarHBondContact NH2-O 3.18Å; R273-A430 VanDerWaalsContact NH2-O 3.16Å; V423-A430 HydrophobicContact CG1-CB 3.76Å
431	V	96.7	Very high	96.8	Very high	1 Å²	1	22 Å²	22	1%	0.006	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	112.7	177.8	-168.6	0	0	0	0	109.1	L304 I310 A421 T422 F424 V429 V439	L304-V431 HydrophobicContact CD1-CB 4.2Å; L304-V431 HydrophobicContact CD1-CG1 3.51Å; L304-V431 HydrophobicContact CD1-CG2 3.62Å; I310-V431 HydrophobicContact CG2-CG2 4.46Å; A421-V431 CarbonylContact C-O 3.57Å; A421-V431 VanDerWaalsContact CA-O 3.32Å; A421-V431 WeakPolarHBondContact CA-O 3.48Å; A421-V431 WeakPolarHBondContact CB-O 3.29Å; T422-V431 PolarHBondContact N-O 3.23Å; T422-V431 PolarHBondContact O-N 3.08Å; F424-V431 HydrophobicContact CD2-CG2 4.32Å; F424-V431 HydrophobicContact CE2-CG2 3.94Å; V429-V431 HydrophobicContact CG1-CG2 4.38Å; V431-V439 HydrophobicContact CB-CG2 4.46Å; V431-V439 HydrophobicContact CG1-CG2 3.58Å
432	K	96.4	Very high	96.8	Very high	158 Å²	158	24.6 Å²	24.6	69%	0.687	12%	0.121	S	C	*	.			trans	-70.9	146.1	178.5	-65.9	-176.4	177.7	-177.1	0	110.7	R312	R312-K432 PolarHBondContact NH2-O 3.36Å
433	P	97.3	Very high	96.7	Very high	12 Å²	12	24.3 Å²	24.3	8%	0.078	12%	0.12	C	C	.	.			trans	-63.1	138.8	170.2	-22.4	37.9	0	0	0	110.2	Y412 V416 G420	Y412-P433 HydrophobicContact CD1-CB 3.59Å; Y412-P433 HydrophobicContact CD1-CG 4.19Å; Y412-P433 HydrophobicContact CE1-CB 3.79Å; Y412-P433 HydrophobicContact CE1-CG 3.9Å; Y412-P433 HydrophobicContact CG-CB 4.09Å; V416-P433 HydrophobicContact CB-CB 4.09Å; V416-P433 HydrophobicContact CB-CG 3.9Å; V416-P433 HydrophobicContact CG2-CB 3.82Å; V416-P433 HydrophobicContact CG2-CG 3.77Å; G420-P433 WeakPolarHBondContact O-CG 3.27Å
434	E	98	Very high	96.5	Very high	67 Å²	67	24.6 Å²	24.6	31%	0.313	12%	0.121	S	C	.	.			trans	-144	114.2	176.5	172.5	173.2	-171.5	0	0	107.2	R312 H314 Y412 G436 S437	R312-E434 IonicContact CZ-OE2 3.64Å; R312-E434 IonicContact NE-OE2 3.96Å; R312-E434 IonicContact NH1-OE2 3.83Å; R312-E434 PolarHBondContact NH1-OE2 2.94Å; H314-E434 IonicContact CE1-OE1 2.94Å; H314-E434 IonicContact CE1-OE2 2.6Å; H314-E434 PolarHBondContact CE1-OE2 3.42Å; H314-E434 IonicContact ND1-OE1 3.88Å; H314-E434 PolarHBondContact ND1-OE1 3.06Å; H314-E434 IonicContact ND1-OE2 3.73Å; Y412-E434 VanDerWaalsContact CB-O 3.26Å; Y412-E434 WeakPolarHBondContact CB-O 3.35Å; E434-G436 PolarHBondContact O-N 3.38Å; E434-S437 VanDerWaalsContact O-CB 3.3Å; E434-S437 WeakPolarHBondContact O-CB 3.39Å; E434-S437 PolarHBondContact O-N 3.13Å; E434-S437 PolarHBondContact O-OG 3.46Å
435	K	98.5	Very high	96.3	Very high	62 Å²	62	26.9 Å²	26.9	27%	0.27	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	135.6	-172.8	-172.1	-175.9	-176.8	-159	0	111.2	D319 I322 D415 S437	D319-K435 WeakPolarHBondContact OD1-CE 3.45Å; D319-K435 IonicContact OD1-NZ 3.11Å; D319-K435 PolarHBondContact OD1-NZ 3.29Å; D319-K435 IonicContact OD2-NZ 3.15Å; I322-K435 HydrophobicContact CD1-CD 4.41Å; I322-K435 HydrophobicContact CD1-CG 3.8Å; D415-K435 WeakPolarHBondContact OD1-CB 3.27Å; D415-K435 PolarHBondContact OD1-N 2.91Å; D415-K435 WeakPolarHBondContact OD2-CB 3.28Å; K435-S437 PolarHBondContact O-N 3.03Å
436	G	98.4	Very high	96.1	Very high	5 Å²	5	30.8 Å²	30.8	5%	0.052	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	-8.4	179.1	0	0	0	0	0	114	D315 V316 I317 Y412 E434	D315-G436 CarbonylContact C-O 3.56Å; V316-G436 WeakPolarHBondContact CG2-O 3.49Å; V316-G436 PolarHBondContact N-O 3.22Å; I317-G436 PolarHBondContact N-O 3.37Å; Y412-G436 PolarHBondContact O-N 3.02Å; E434-G436 PolarHBondContact O-N 3.38Å
437	S	98.6	Very high	95.8	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.007	14%	0.136	C	C	.	.			trans	-87.3	167.2	173.7	77.7	0	0	0	0	112.2	Y313 Y412 E434 K435	Y313-S437 CarbonylContact O-C 3.56Å; Y313-S437 WeakPolarHBondContact O-CA 3.32Å; Y313-S437 VanDerWaalsContact O-CB 3.31Å; Y313-S437 WeakPolarHBondContact O-CB 3.38Å; Y412-S437 PolarHBondContact N-O 2.89Å; E434-S437 VanDerWaalsContact O-CB 3.3Å; E434-S437 WeakPolarHBondContact O-CB 3.39Å; E434-S437 PolarHBondContact O-N 3.13Å; E434-S437 PolarHBondContact O-OG 3.46Å; K435-S437 PolarHBondContact O-N 3.03Å
438	A	98.7	Very high	95.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	156	168.2	0	0	0	0	0	111.8	R312 Y313 V316 F409 L410 I411	R312-A438 CarbonylContact C-O 3.44Å; R312-A438 VanDerWaalsContact CA-O 3.27Å; R312-A438 WeakPolarHBondContact CA-O 3.46Å; Y313-A438 PolarHBondContact N-O 3.22Å; Y313-A438 PolarHBondContact O-N 2.69Å; V316-A438 HydrophobicContact CG2-CB 3.7Å; F409-A438 HydrophobicContact CD1-CB 3.87Å; F409-A438 HydrophobicContact CE1-CB 3.19Å; F409-A438 HydrophobicContact CE2-CB 4.37Å; F409-A438 HydrophobicContact CZ-CB 3.49Å; F409-A438 VanDerWaalsContact CZ-CB 3.49Å; L410-A438 CarbonylContact O-C 3.52Å; L410-A438 WeakPolarHBondContact O-CA 3.46Å; L410-A438 WeakPolarHBondContact O-CB 3.39Å; I411-A438 HydrophobicContact CG1-CB 4.03Å
439	V	98.5	Very high	95.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	132	172.9	-171.8	0	0	0	0	108.2	I310 I311 L410 Y412 F424 V431 W441	I310-V439 HydrophobicContact CG2-CG1 3.75Å; I311-V439 CarbonylContact O-C 3.52Å; I311-V439 VanDerWaalsContact O-CA 3.31Å; I311-V439 WeakPolarHBondContact O-CA 3.25Å; L410-V439 PolarHBondContact N-O 3.49Å; L410-V439 PolarHBondContact O-N 3.46Å; Y412-V439 HydrophobicContact CD2-CG2 4.38Å; Y412-V439 HydrophobicContact CE2-CG2 3.56Å; F424-V439 HydrophobicContact CZ-CG1 4.49Å; V431-V439 HydrophobicContact CB-CG2 4.46Å; V431-V439 HydrophobicContact CG1-CG2 3.58Å; V439-W441 HydrophobicContact CB-CE3 4.48Å; V439-W441 HydrophobicContact CB-CZ3 4.14Å; V439-W441 HydrophobicContact CG1-CE3 3.92Å; V439-W441 HydrophobicContact CG1-CZ3 3.97Å
440	F	98.4	Very high	95	Very high	4 Å²	4	36.5 Å²	36.5	2%	0.018	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	135.9	-177.8	173.6	-101.5	0	0	0	110.5	I311 Y313 T371 L373 A407 T408 F409 Y442	I311-F440 HydrophobicContact CD1-CD1 4.37Å; I311-F440 PolarHBondContact N-O 3.01Å; I311-F440 PolarHBondContact O-N 2.9Å; Y313-F440 HydrophobicContact CD2-CB 4.12Å; Y313-F440 HydrophobicContact CE2-CB 3.71Å; Y313-F440 HydrophobicContact CE2-CD1 4.35Å; Y313-F440 HydrophobicContact CE2-CG 4.2Å; T371-F440 HydrophobicContact CG2-CD2 3.8Å; T371-F440 HydrophobicContact CG2-CE2 3.65Å; T371-F440 HydrophobicContact CG2-CG 4.36Å; T371-F440 HydrophobicContact CG2-CZ 4.13Å; L373-F440 HydrophobicContact CD1-CE2 4.21Å; L373-F440 HydrophobicContact CD1-CZ 4.06Å; A407-F440 HydrophobicContact CB-CE2 3.56Å; A407-F440 HydrophobicContact CB-CZ 3.9Å; T408-F440 WeakPolarHBondContact O-CA 3.45Å; T408-F440 WeakPolarHBondContact O-CD2 3.44Å; F409-F440 HydrophobicContact CB-CD2 4.35Å; F409-F440 HydrophobicContact CD2-CB 4.01Å; F409-F440 AromaticContact CD2-CD2 3.79Å; F409-F440 HydrophobicContact CD2-CD2 3.79Å; F409-F440 HydrophobicContact CD2-CG 4.25Å; F409-F440 HydrophobicContact CE2-CB 4.4Å; F440-Y442 HydrophobicContact CE1-CD2 4.03Å; F440-Y442 AromaticContact CE1-CE2 3.56Å; F440-Y442 HydrophobicContact CE1-CE2 3.56Å; F440-Y442 AromaticContact CE1-CZ 3.85Å; F440-Y442 HydrophobicContact CZ-CD1 4.39Å; F440-Y442 HydrophobicContact CZ-CD2 4.25Å; F440-Y442 AromaticContact CZ-CE1 3.95Å; F440-Y442 HydrophobicContact CZ-CE1 3.95Å; F440-Y442 AromaticContact CZ-CE2 3.8Å; F440-Y442 HydrophobicContact CZ-CE2 3.8Å; F440-Y442 AromaticContact CZ-CZ 3.62Å
441	W	98.1	Very high	94.9	Very high	1 Å²	1	36.3 Å²	36.3	0%	0.004	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	154.4	170.5	63	94.2	0	0	0	109.8	I310 A407 T408 L410 F424 V439 N443 H456	I310-W441 HydrophobicContact CG1-CB 4.45Å; A407-W441 WeakPolarHBondContact CA-O 3.44Å; A407-W441 WeakPolarHBondContact CB-O 3.28Å; T408-W441 VanDerWaalsContact CB-CZ2 3.44Å; T408-W441 HydrophobicContact CG2-CH2 3.47Å; T408-W441 VanDerWaalsContact CG2-CH2 3.47Å; T408-W441 HydrophobicContact CG2-CZ2 3.42Å; T408-W441 VanDerWaalsContact CG2-CZ2 3.42Å; T408-W441 HydrophobicContact CG2-CZ3 4.18Å; T408-W441 PolarHBondContact N-O 3.28Å; T408-W441 PolarHBondContact O-N 3.32Å; L410-W441 HydrophobicContact CB-CH2 4.02Å; L410-W441 HydrophobicContact CB-CZ3 3.97Å; L410-W441 HydrophobicContact CD2-CH2 4.38Å; F424-W441 AromaticContact CE1-CD2 3.77Å; F424-W441 HydrophobicContact CE1-CD2 3.77Å; F424-W441 HydrophobicContact CE1-CE3 4.15Å; F424-W441 AromaticContact CE1-CG 3.94Å; F424-W441 HydrophobicContact CE1-CG 3.94Å; F424-W441 AromaticContact CZ-CD2 3.79Å; F424-W441 HydrophobicContact CZ-CD2 3.79Å; F424-W441 AromaticContact CZ-CE3 3.67Å; F424-W441 HydrophobicContact CZ-CE3 3.67Å; F424-W441 HydrophobicContact CZ-CG 4.3Å; F424-W441 HydrophobicContact CZ-CZ3 4.05Å; V439-W441 HydrophobicContact CB-CE3 4.48Å; V439-W441 HydrophobicContact CB-CZ3 4.14Å; V439-W441 HydrophobicContact CG1-CE3 3.92Å; V439-W441 HydrophobicContact CG1-CZ3 3.97Å; W441-N443 PolarHBondContact NE1-OD1 2.85Å; W441-H456 AromaticContact CZ2-CD2 3.96Å; W441-H456 AromaticContact CZ2-CE1 3.59Å; W441-H456 AromaticContact CZ2-ND1 3.88Å; W441-H456 AromaticContact CZ2-NE2 3.63Å
442	Y	96.5	Very high	94.7	Very high	64 Å²	64	41.3 Å²	41.3	25%	0.251	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	131.7	168.1	-70.9	-80.5	0	0	0	108.7	L373 T406 A407 F440 T454 R482	L373-Y442 HydrophobicContact CD1-CE1 3.92Å; L373-Y442 HydrophobicContact CD2-CE1 4.41Å; T406-Y442 CarbonylContact O-C 3.28Å; T406-Y442 WeakPolarHBondContact O-CA 3.47Å; A407-Y442 HydrophobicContact CB-CD1 3.87Å; A407-Y442 HydrophobicContact CB-CE1 4.23Å; F440-Y442 HydrophobicContact CE1-CD2 4.03Å; F440-Y442 AromaticContact CE1-CE2 3.56Å; F440-Y442 HydrophobicContact CE1-CE2 3.56Å; F440-Y442 AromaticContact CE1-CZ 3.85Å; F440-Y442 HydrophobicContact CZ-CD1 4.39Å; F440-Y442 HydrophobicContact CZ-CD2 4.25Å; F440-Y442 AromaticContact CZ-CE1 3.95Å; F440-Y442 HydrophobicContact CZ-CE1 3.95Å; F440-Y442 AromaticContact CZ-CE2 3.8Å; F440-Y442 HydrophobicContact CZ-CE2 3.8Å; F440-Y442 AromaticContact CZ-CZ 3.62Å; Y442-T454 WeakPolarHBondContact O-CG2 3.36Å; Y442-R482 VanDerWaalsContact CD1-NE 3.3Å
443	N	95.4	Very high	94.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.186	C	C	.	.	S	Bend	trans	-83.6	-29.1	174	-56	-46.4	0	0	0	111.2	D397 T398 R405 T406 T408 W441 D451	D397-N443 PolarHBondContact O-ND2 3.21Å; T398-N443 HydrophobicContact CG2-CB 3.76Å; R405-N443 VanDerWaalsContact O-CB 3.31Å; R405-N443 WeakPolarHBondContact O-CB 3.27Å; R405-N443 PolarHBondContact O-ND2 3.46Å; T406-N443 PolarHBondContact O-N 2.9Å; T408-N443 PolarHBondContact OG1-ND2 3.31Å; T408-N443 PolarHBondContact OG1-OD1 2.83Å; W441-N443 PolarHBondContact NE1-OD1 2.85Å; N443-D451 PolarHBondContact O-N 3.38Å
444	L	93	Very high	94.6	Very high	5 Å²	5	37.2 Å²	37.2	3%	0.026	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-110	146.9	-179.5	-52.7	178.7	0	0	0	110.9	T398 E404 T406 E449 R482	T398-L444 HydrophobicContact CG2-CD2 3.65Å; E404-L444 HydrophobicContact CB-CD1 3.67Å; E404-L444 HydrophobicContact CB-CD2 4.43Å; T406-L444 PolarHBondContact O-N 2.93Å; L444-E449 CarbonylContact C-O 3.52Å; L444-E449 VanDerWaalsContact CA-O 3.29Å; L444-E449 WeakPolarHBondContact CA-O 3.24Å; L444-R482 PolarHBondContact O-NH2 3.08Å
445	H	91.8	Very high	94.4	Very high	48 Å²	48	37.1 Å²	37.1	22%	0.222	18%	0.181	C	C	.	.			trans	-60.6	170.1	159.4	-69.8	-58.7	0	0	0	111	N447 G448 E449 D451 R482	H445-N447 WeakPolarHBondContact CB-OD1 3.32Å; H445-N447 PolarHBondContact O-N 3.43Å; H445-G448 PolarHBondContact O-N 3.41Å; H445-E449 PolarHBondContact N-O 3.43Å; H445-D451 IonicContact CE1-OD1 3.89Å; H445-D451 IonicContact CE1-OD2 3.45Å; H445-D451 PolarHBondContact CE1-OD2 3.02Å; H445-D451 WeakPolarHBondContact NE2-CA 3.09Å; H445-D451 WeakPolarHBondContact NE2-CB 3.47Å; H445-D451 IonicContact NE2-OD1 3.83Å; H445-R482 PolarHBondContact O-NH1 3.37Å; H445-R482 PolarHBondContact O-NH2 3.32Å
446	K	90.6	Very high	94.3	Very high	91 Å²	91	34.7 Å²	34.7	40%	0.396	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-23.3	176.5	-70.9	-176.5	177.2	176.7	0	112.3	G448 C484 E490	K446-G448 PolarHBondContact O-N 2.96Å; K446-C484 VanDerWaalsContact O-CA 3.25Å; K446-C484 WeakPolarHBondContact O-CA 3.46Å; K446-C484 WeakPolarHBondContact O-CB 3.35Å; K446-E490 WeakPolarHBondContact CB-O 3.36Å; K446-E490 VanDerWaalsContact N-C 3.32Å; K446-E490 PolarHBondContact N-O 2.92Å; K446-E490 PolarHBondContact N-OXT 3.19Å
447	N	87.6	Confident	94.1	Very high	46 Å²	46	34.5 Å²	34.5	25%	0.246	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-5	171.4	72.5	-4.9	0	0	0	113.9	H445 E449 Q488 E490	H445-N447 WeakPolarHBondContact CB-OD1 3.32Å; H445-N447 PolarHBondContact O-N 3.43Å; N447-E449 PolarHBondContact ND2-OE2 2.93Å; N447-E449 VanDerWaalsContact ND2-OE2 3.1Å; N447-E449 WeakPolarHBondContact OD1-CB 3.43Å; N447-E449 PolarHBondContact OD1-N 3.46Å; N447-Q488 PolarHBondContact ND2-O 3.35Å; N447-E490 PolarHBondContact N-O 3.05Å; N447-E490 VanDerWaalsContact N-O 3.1Å
448	G	87	Confident	93.9	Very high	25 Å²	25	34.7 Å²	34.7	26%	0.258	17%	0.17	S	C	.	.	S	Bend	trans	89.6	-5.1	-178.4	0	0	0	0	0	114.8	H445 K446	H445-G448 PolarHBondContact O-N 3.41Å; K446-G448 PolarHBondContact O-N 2.96Å
449	E	88.9	Confident	93.7	Very high	103 Å²	103	34.7 Å²	34.7	48%	0.481	17%	0.17	S	C	.	.			trans	-76.3	147.6	177.3	-65.1	-177.8	160.5	0	0	111.8	L444 H445 N447 D451	L444-E449 CarbonylContact C-O 3.52Å; L444-E449 VanDerWaalsContact CA-O 3.29Å; L444-E449 WeakPolarHBondContact CA-O 3.24Å; H445-E449 PolarHBondContact N-O 3.43Å; N447-E449 PolarHBondContact ND2-OE2 2.93Å; N447-E449 VanDerWaalsContact ND2-OE2 3.1Å; N447-E449 WeakPolarHBondContact OD1-CB 3.43Å; N447-E449 PolarHBondContact OD1-N 3.46Å; E449-D451 PolarHBondContact O-N 3.02Å
450	L	91.3	Very high	93.5	Very high	55 Å²	55	34.7 Å²	34.7	29%	0.288	17%	0.17	S	C	.	.	B	Isolated β-bridge	trans	-60.1	126.2	175	168.6	62.4	0	0	0	111.7	F396 T398 L452	F396-L450 HydrophobicContact CB-CD1 4.14Å; F396-L450 HydrophobicContact CB-CD2 4.49Å; F396-L450 HydrophobicContact CD1-CD1 3.7Å; F396-L450 HydrophobicContact CD1-CD2 4.2Å; F396-L450 HydrophobicContact CD1-CG 4.38Å; F396-L450 HydrophobicContact CD2-CD2 4.09Å; F396-L450 HydrophobicContact CE1-CD1 4.27Å; F396-L450 HydrophobicContact CE1-CD2 4.4Å; F396-L450 HydrophobicContact CE2-CD2 4.32Å; F396-L450 HydrophobicContact CG-CD1 4.02Å; F396-L450 HydrophobicContact CG-CD2 4.02Å; F396-L450 HydrophobicContact CZ-CD2 4.46Å; T398-L450 HydrophobicContact CG2-CD1 3.66Å; L450-L452 HydrophobicContact CD2-CD2 3.79Å; L450-L452 HydrophobicContact CG-CD2 4.11Å; L450-L452 PolarHBondContact O-N 3.34Å
451	D	93.3	Very high	93.2	Very high	14 Å²	14	35 Å²	35	8%	0.075	17%	0.172	C	C	.	.			trans	-81.4	101.6	168.4	-173	-14.1	0	0	0	110.3	P308 N443 H445 E449 K453 T454	P308-D451 WeakPolarHBondContact CB-OD2 3.5Å; N443-D451 PolarHBondContact O-N 3.38Å; H445-D451 IonicContact CE1-OD1 3.89Å; H445-D451 IonicContact CE1-OD2 3.45Å; H445-D451 PolarHBondContact CE1-OD2 3.02Å; H445-D451 WeakPolarHBondContact NE2-CA 3.09Å; H445-D451 WeakPolarHBondContact NE2-CB 3.47Å; H445-D451 IonicContact NE2-OD1 3.83Å; E449-D451 PolarHBondContact O-N 3.02Å; D451-K453 PolarHBondContact O-N 2.91Å; D451-K453 WeakPolarHBondContact OD1-CB 3.48Å; D451-K453 PolarHBondContact OD1-N 3.21Å; D451-T454 HydrophobicContact CB-CG2 3.78Å; D451-T454 WeakPolarHBondContact O-CB 3.42Å; D451-T454 WeakPolarHBondContact O-CG2 3.48Å; D451-T454 PolarHBondContact O-N 3Å; D451-T454 PolarHBondContact O-OG1 3.03Å
452	L	93.4	Very high	92.9	Very high	107 Å²	107	37 Å²	37	56%	0.56	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	-59	-20.1	179.8	-63.4	177.6	0	0	0	113.6	F396 N426 L450 T454	F396-L452 HydrophobicContact CE1-CD2 4.34Å; F396-L452 WeakPolarHBondContact CE1-O 3.05Å; F396-L452 HydrophobicContact CE2-CD2 4.32Å; F396-L452 HydrophobicContact CZ-CB 4.47Å; F396-L452 HydrophobicContact CZ-CD2 3.78Å; N426-L452 PolarHBondContact ND2-O 2.99Å; L450-L452 HydrophobicContact CD2-CD2 3.79Å; L450-L452 HydrophobicContact CG-CD2 4.11Å; L450-L452 PolarHBondContact O-N 3.34Å; L452-T454 PolarHBondContact O-N 2.78Å
453	K	94.8	Very high	92.7	Very high	83 Å²	83	37.7 Å²	37.7	36%	0.361	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-72.9	-12.4	177.5	-65.5	175.1	-179.8	173.4	0	112.9	E307 P308 V427 D451 K455	E307-K453 IonicContact OE2-NZ 2.97Å; E307-K453 PolarHBondContact OE2-NZ 3.46Å; P308-K453 VanDerWaalsContact CD-CB 3.4Å; P308-K453 HydrophobicContact CG-CB 4.06Å; V427-K453 HydrophobicContact CG1-CB 3.69Å; V427-K453 HydrophobicContact CG1-CD 4.45Å; V427-K453 HydrophobicContact CG1-CG 4.19Å; D451-K453 PolarHBondContact O-N 2.91Å; D451-K453 WeakPolarHBondContact OD1-CB 3.48Å; D451-K453 PolarHBondContact OD1-N 3.21Å; K453-K455 VanDerWaalsContact C-N 3.3Å; K453-K455 PolarHBondContact O-N 3.29Å
454	T	95.5	Very high	92.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-86.1	2.3	-178.7	67.7	0	0	0	0	113.8	P308 Y442 D451 L452 H456	P308-T454 HydrophobicContact CB-CG2 4.34Å; P308-T454 HydrophobicContact CG-CG2 3.84Å; Y442-T454 WeakPolarHBondContact O-CG2 3.36Å; D451-T454 HydrophobicContact CB-CG2 3.78Å; D451-T454 WeakPolarHBondContact O-CB 3.42Å; D451-T454 WeakPolarHBondContact O-CG2 3.48Å; D451-T454 PolarHBondContact O-N 3Å; D451-T454 PolarHBondContact O-OG1 3.03Å; L452-T454 PolarHBondContact O-N 2.78Å; T454-H456 PolarHBondContact O-N 3.44Å; T454-H456 PolarHBondContact O-ND1 3.43Å
455	K	95.2	Very high	92.5	Very high	66 Å²	66	40.8 Å²	40.8	29%	0.287	22%	0.216	S	C	.	.			trans	-56.6	112.7	178.1	-164.5	178.1	-176.9	177.5	0	110.6	P394 H395 F396 F424 T425 K453	P394-K455 HydrophobicContact CB-CD 4.42Å; P394-K455 HydrophobicContact CB-CG 4.42Å; H395-K455 WeakPolarHBondContact O-CA 3.34Å; F396-K455 HydrophobicContact CD1-CB 4.04Å; F396-K455 HydrophobicContact CD1-CG 4.42Å; F396-K455 HydrophobicContact CE1-CB 3.39Å; F396-K455 HydrophobicContact CE1-CG 4Å; F396-K455 HydrophobicContact CE2-CB 4.34Å; F396-K455 HydrophobicContact CE2-CD 4.12Å; F396-K455 HydrophobicContact CE2-CG 4.11Å; F396-K455 HydrophobicContact CZ-CB 3.57Å; F396-K455 HydrophobicContact CZ-CD 3.97Å; F396-K455 HydrophobicContact CZ-CG 3.83Å; F424-K455 CarbonylContact C-O 3.52Å; F424-K455 WeakPolarHBondContact CA-O 3.4Å; T425-K455 PolarHBondContact N-O 3.49Å; T425-K455 WeakPolarHBondContact OG1-CG 3.14Å; T425-K455 PolarHBondContact OG1-O 3.48Å; K453-K455 VanDerWaalsContact C-N 3.3Å; K453-K455 PolarHBondContact O-N 3.29Å
456	H	95.6	Very high	92.6	Very high	11 Å²	11	38.6 Å²	38.6	5%	0.051	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	166.7	-171.1	67.6	-80.5	0	0	0	112.4	P394 H395 D397 V423 F424 W441 T454	P394-H456 CarbonylContact C-O 3.56Å; P394-H456 VanDerWaalsContact CA-O 3.29Å; P394-H456 WeakPolarHBondContact CA-O 3.49Å; H395-H456 AromaticContact CE1-CD2 3.8Å; H395-H456 AromaticContact CE1-NE2 3.47Å; H395-H456 PolarHBondContact CE1-NE2 3.44Å; H395-H456 PolarHBondContact N-O 3.14Å; H395-H456 PolarHBondContact ND1-O 2.81Å; H395-H456 AromaticContact NE2-CE1 3.81Å; H395-H456 AromaticContact NE2-NE2 3.32Å; H395-H456 PolarHBondContact NE2-NE2 2.86Å; H395-H456 PolarHBondContact O-N 2.88Å; D397-H456 IonicContact OD1-CE1 3.44Å; D397-H456 IonicContact OD2-CE1 3.68Å; D397-H456 PolarHBondContact OD2-CE1 3.24Å; D397-H456 IonicContact OD2-NE2 3.67Å; V423-H456 CarbonylContact O-C 3.59Å; V423-H456 WeakPolarHBondContact O-CA 3.36Å; V423-H456 WeakPolarHBondContact O-CB 3.46Å; F424-H456 HydrophobicContact CD1-CB 3.77Å; F424-H456 HydrophobicContact CE1-CB 3.93Å; F424-H456 HydrophobicContact CG-CB 4.2Å; F424-H456 HydrophobicContact CZ-CB 4.49Å; W441-H456 AromaticContact CZ2-CD2 3.96Å; W441-H456 AromaticContact CZ2-CE1 3.59Å; W441-H456 AromaticContact CZ2-ND1 3.88Å; W441-H456 AromaticContact CZ2-NE2 3.63Å; T454-H456 PolarHBondContact O-N 3.44Å; T454-H456 PolarHBondContact O-ND1 3.43Å
457	A	94.2	Very high	92.9	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.008	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	152.5	-175.5	0	0	0	0	0	110.7	Y262 Y392 P394 T422 V423 T425	Y262-A457 HydrophobicContact CD2-CB 3.42Å; Y262-A457 VanDerWaalsContact CD2-CB 3.42Å; Y262-A457 HydrophobicContact CE2-CB 3.28Å; Y392-A457 WeakPolarHBondContact O-CA 3.48Å; Y392-A457 WeakPolarHBondContact O-CB 3.47Å; P394-A457 HydrophobicContact CB-CB 4.37Å; P394-A457 HydrophobicContact CG-CB 3.97Å; T422-A457 CarbonylContact C-O 3.41Å; T422-A457 WeakPolarHBondContact CA-O 3.35Å; V423-A457 HydrophobicContact CG2-CB 3.88Å; V423-A457 PolarHBondContact N-O 2.87Å; V423-A457 PolarHBondContact O-N 3.45Å; T425-A457 HydrophobicContact CG2-CB 4.48Å
458	G	93.7	Very high	93.4	Very high	4 Å²	4	32.3 Å²	32.3	4%	0.041	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	119.5	167.7	0	0	0	0	0	109.8	Y262 Y392	Y262-G458 PolarHBondContact OH-O 3.49Å; Y392-G458 PolarHBondContact N-O 3.18Å; Y392-G458 VanDerWaalsContact N-O 3.11Å; Y392-G458 PolarHBondContact O-N 2.95Å; Y392-G458 VanDerWaalsContact O-O 3.11Å
459	C	94.5	Very high	93.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-66	146.7	169	-64.1	0	0	0	0	110.5	C266 G420 A421 V423	C266-C459 WeakPolarHBondContact CA-SG 3.01Å; C266-C459 HydrophobicContact CB-CB 3.76Å; C266-C459 WeakPolarHBondContact CB-SG 3.15Å; C266-C459 WeakPolarHBondContact SG-CA 3.26Å; C266-C459 WeakPolarHBondContact SG-CB 3.45Å; C266-C459 CovalentContact SG-SG 2.03Å; C266-C459 PolarHBondContact SG-SG 2.97Å; G420-C459 WeakPolarHBondContact CA-O 3.46Å; A421-C459 HydrophobicContact CB-CB 4.47Å; A421-C459 WeakPolarHBondContact O-CB 3.15Å; A421-C459 PolarHBondContact O-N 2.87Å; A421-C459 PolarHBondContact O-SG 3.26Å; V423-C459 WeakPolarHBondContact CG1-SG 3.26Å
460	P	93.9	Very high	94.3	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.006	15%	0.145	C	C	.	.	P	Polyproline II helix	trans	-56.2	144.5	174.1	-16.9	26.6	0	0	0	111.7	L137 I140 Y141 G390 R391 G420 L462	L137-P460 HydrophobicContact CD2-CB 3.58Å; I140-P460 HydrophobicContact CB-CG 4.05Å; I140-P460 HydrophobicContact CG1-CG 3.8Å; I140-P460 HydrophobicContact CG2-CG 4.01Å; Y141-P460 HydrophobicContact CE2-CB 4.13Å; Y141-P460 HydrophobicContact CE2-CG 4.33Å; Y141-P460 PolarHBondContact OH-O 2.92Å; G390-P460 WeakPolarHBondContact O-CA 3.37Å; R391-P460 HydrophobicContact CB-CB 4.28Å; R391-P460 HydrophobicContact CB-CG 3.89Å; G420-P460 PolarHBondContact N-O 2.95Å; P460-L462 PolarHBondContact O-N 3.49Å
461	V	93.2	Very high	94.6	Very high	10 Å²	10	24.4 Å²	24.4	6%	0.061	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	117.5	170.7	-177.2	0	0	0	0	108.4	L137 G390 V416 G464 K466	L137-V461 WeakPolarHBondContact CD2-O 2.93Å; G390-V461 PolarHBondContact O-N 3.39Å; V416-V461 HydrophobicContact CG1-CG1 3.86Å; V461-G464 WeakPolarHBondContact CG1-O 3.41Å; V461-K466 HydrophobicContact CG2-CB 3.43Å; V461-K466 HydrophobicContact CG2-CD 3.84Å; V461-K466 VanDerWaalsContact CG2-CB 3.43Å; V461-K466 HydrophobicContact CG2-CG 4.27Å
462	L	91.5	Very high	94.7	Very high	42 Å²	42	24.1 Å²	24.1	22%	0.22	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-46.4	177.7	177.9	57.2	0	0	0	111	L137 Y141 L143 V418 P460	L137-L462 HydrophobicContact CB-CD1 4.31Å; L137-L462 HydrophobicContact CD1-CD1 4Å; L137-L462 HydrophobicContact CD2-CB 4.33Å; L137-L462 HydrophobicContact CD2-CD1 4.15Å; L137-L462 HydrophobicContact CG-CD1 4.4Å; Y141-L462 HydrophobicContact CD2-CB 4.3Å; Y141-L462 HydrophobicContact CD2-CD2 4.36Å; Y141-L462 HydrophobicContact CE2-CB 4.03Å; Y141-L462 HydrophobicContact CG-CD2 4.31Å; L143-L462 HydrophobicContact CD1-CD1 3.53Å; L143-L462 HydrophobicContact CD1-CD2 3.75Å; L143-L462 HydrophobicContact CD1-CG 4.33Å; V418-L462 HydrophobicContact CB-CB 4.27Å; V418-L462 HydrophobicContact CB-CD2 4.46Å; V418-L462 HydrophobicContact CB-CG 4.5Å; V418-L462 HydrophobicContact CG1-CB 4.19Å; V418-L462 HydrophobicContact CG1-CD2 3.72Å; V418-L462 HydrophobicContact CG1-CG 4.26Å; V418-L462 WeakPolarHBondContact O-CB 3.32Å; V418-L462 PolarHBondContact O-N 3.27Å; P460-L462 PolarHBondContact O-N 3.49Å
463	V	91.4	Very high	94.9	Very high	79 Å²	79	19 Å²	19	48%	0.479	10%	0.103	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	125.9	172.3	-177.9	0	0	0	0	107.8	V416 E417 V418	V416-V463 WeakPolarHBondContact CG1-O 3.46Å; E417-V463 HydrophobicContact CB-CB 4.36Å; E417-V463 HydrophobicContact CB-CG1 4.15Å; E417-V463 PolarHBondContact N-O 3.4Å; V418-V463 HydrophobicContact CB-CB 4.06Å; V418-V463 HydrophobicContact CB-CG2 4.26Å; V418-V463 HydrophobicContact CG2-CB 4.11Å; V418-V463 HydrophobicContact CG2-CG2 4.25Å; V418-V463 PolarHBondContact N-O 3.4Å; V418-V463 PolarHBondContact O-N 3.47Å
464	G	91.1	Very high	94.8	Very high	24 Å²	24	16.1 Å²	16.1	25%	0.247	9%	0.09	C	C	.	.	S	Bend	trans	132.2	178.8	175	0	0	0	0	0	114.3	E417 V461	E417-G464 WeakPolarHBondContact OE2-CA 3.26Å; E417-G464 PolarHBondContact OE2-N 2.9Å; V461-G464 WeakPolarHBondContact CG1-O 3.41Å
465	N	93.3	Very high	94.6	Very high	47 Å²	47	19.1 Å²	19.1	25%	0.251	11%	0.105	S	C	.	.			trans	-119	101.9	174.5	-174.9	-3	0	0	0	109	V27 N385 S414 W467	V27-N465 HydrophobicContact CG1-CB 4.04Å; N385-N465 PolarHBondContact ND2-OD1 3.42Å; S414-N465 WeakPolarHBondContact CB-O 3.23Å; S414-N465 PolarHBondContact OG-O 3.24Å; N465-W467 PolarHBondContact ND2-NE1 3.38Å; N465-W467 PolarHBondContact OD1-NE1 3.03Å
466	K	95.1	Very high	94.4	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.009	11%	0.111	C	C	.	.			trans	-87.5	115.9	-175	-175.1	178.8	174.1	-178.8	0	111.4	N385 Y386 S414 V416 G420 V461 V468	N385-K466 PolarHBondContact ND2-O 3.25Å; Y386-K466 HydrophobicContact CD2-CB 4.05Å; Y386-K466 HydrophobicContact CD2-CD 3.78Å; Y386-K466 HydrophobicContact CD2-CG 3.83Å; Y386-K466 HydrophobicContact CE2-CD 3.94Å; Y386-K466 HydrophobicContact CE2-CG 4.24Å; Y386-K466 HydrophobicContact CG-CB 4.41Å; Y386-K466 HydrophobicContact CG-CD 4.25Å; Y386-K466 PolarHBondContact N-O 2.98Å; Y386-K466 VanDerWaalsContact N-O 3.15Å; S414-K466 WeakPolarHBondContact OG-CA 3.38Å; V416-K466 HydrophobicContact CG2-CB 3.7Å; V416-K466 HydrophobicContact CG2-CD 4.39Å; V416-K466 HydrophobicContact CG2-CG 3.9Å; G420-K466 WeakPolarHBondContact O-CE 3.43Å; G420-K466 PolarHBondContact O-NZ 3.42Å; V461-K466 HydrophobicContact CG2-CB 3.43Å; V461-K466 HydrophobicContact CG2-CD 3.84Å; V461-K466 VanDerWaalsContact CG2-CB 3.43Å; V461-K466 HydrophobicContact CG2-CG 4.27Å; K466-V468 HydrophobicContact CG-CG1 4.18Å
467	W	97.1	Very high	94.2	Very high	4 Å²	4	21.5 Å²	21.5	2%	0.015	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	132	170	-75.9	85.2	0	0	0	110.7	D28 K326 A329 R330 L333 V383 Q384 N385 M413 S414 N465	D28-W467 HydrophobicContact CB-CH2 4.43Å; D28-W467 HydrophobicContact CB-CZ2 3.56Å; D28-W467 WeakPolarHBondContact OD1-CZ2 3.44Å; K326-W467 HydrophobicContact CD-CD2 4.47Å; K326-W467 HydrophobicContact CG-CD2 4.14Å; K326-W467 HydrophobicContact CG-CE3 4.09Å; K326-W467 HydrophobicContact CG-CH2 4.35Å; K326-W467 HydrophobicContact CG-CZ2 4.42Å; K326-W467 HydrophobicContact CG-CZ3 4.2Å; A329-W467 HydrophobicContact CB-CZ3 4.4Å; R330-W467 HydrophobicContact CG-CH2 4.21Å; L333-W467 HydrophobicContact CD1-CH2 3.62Å; L333-W467 HydrophobicContact CD1-CZ3 4.06Å; V383-W467 HydrophobicContact CG1-CE3 3.96Å; V383-W467 HydrophobicContact CG1-CZ3 3.83Å; Q384-W467 WeakPolarHBondContact O-CA 3.42Å; N385-W467 HydrophobicContact CB-CD2 4.05Å; N385-W467 HydrophobicContact CB-CE3 4.06Å; N385-W467 HydrophobicContact CB-CH2 4.07Å; N385-W467 HydrophobicContact CB-CZ2 4.01Å; N385-W467 HydrophobicContact CB-CZ3 4.07Å; N385-W467 PolarHBondContact ND2-NE1 3.09Å; M413-W467 HydrophobicContact CB-CB 3.8Å; M413-W467 HydrophobicContact CE-CB 4.3Å; M413-W467 HydrophobicContact CE-CE3 4.1Å; M413-W467 PolarHBondContact N-O 3.1Å; S414-W467 PolarHBondContact OG-N 3.37Å; N465-W467 PolarHBondContact ND2-NE1 3.38Å; N465-W467 PolarHBondContact OD1-NE1 3.03Å
468	V	97.4	Very high	94.2	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.006	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	156.7	175.4	-59.5	0	0	0	0	111.3	Q384 Y386 L410 I411 Y412 K466	Q384-V468 HydrophobicContact CB-CG2 3.86Å; Q384-V468 HydrophobicContact CG-CG2 4.3Å; Q384-V468 PolarHBondContact N-O 2.73Å; Q384-V468 PolarHBondContact O-N 2.86Å; Y386-V468 HydrophobicContact CE2-CG2 3.83Å; L410-V468 HydrophobicContact CD1-CB 3.7Å; L410-V468 HydrophobicContact CD1-CG1 4.06Å; L410-V468 HydrophobicContact CD1-CG2 4.03Å; I411-V468 CarbonylContact O-C 3.53Å; I411-V468 WeakPolarHBondContact O-CA 3.37Å; I411-V468 WeakPolarHBondContact O-CB 3.4Å; Y412-V468 HydrophobicContact CD1-CG1 3.75Å; Y412-V468 HydrophobicContact CE1-CG1 4.09Å; K466-V468 HydrophobicContact CG-CG1 4.18Å
469	A	97.7	Very high	94	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	122	169.1	0	0	0	0	0	109.9	L381 H382 V383 I411 M413	L381-A469 HydrophobicContact CD1-CB 4.03Å; L381-A469 HydrophobicContact CD2-CB 4.28Å; L381-A469 HydrophobicContact CG-CB 4.09Å; H382-A469 CarbonylContact O-C 3.55Å; H382-A469 VanDerWaalsContact O-CA 3.29Å; H382-A469 WeakPolarHBondContact O-CA 3.49Å; V383-A469 HydrophobicContact CG2-CB 4.01Å; I411-A469 HydrophobicContact CB-CB 4.23Å; I411-A469 WeakPolarHBondContact CB-O 3.33Å; I411-A469 PolarHBondContact N-O 3.32Å; I411-A469 PolarHBondContact O-N 2.92Å; M413-A469 HydrophobicContact CE-CB 4.11Å; M413-A469 HydrophobicContact SD-CB 4.14Å
470	N	97	Very high	93.8	Very high	14 Å²	14	36.5 Å²	36.5	8%	0.075	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	136.9	177.4	-79.9	-56.9	0	0	0	110.8	H382 Q384 L410 W472	H382-N470 HydrophobicContact CB-CB 4.22Å; H382-N470 PolarHBondContact N-O 2.87Å; H382-N470 PolarHBondContact O-N 3.45Å; Q384-N470 PolarHBondContact OE1-ND2 3.47Å; L410-N470 WeakPolarHBondContact CD1-OD1 3.42Å; N470-W472 HydrophobicContact CB-CD2 4.41Å; N470-W472 HydrophobicContact CB-CH2 4.14Å; N470-W472 HydrophobicContact CB-CZ2 3.92Å; N470-W472 HydrophobicContact CB-CZ3 4.46Å
471	K	97.6	Very high	93.7	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.009	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	112	166.4	-170.5	75	171.3	168.3	0	107.7	E356 S364 I367 E379 L381 F409	E356-K471 IonicContact OE1-NZ 3.17Å; E356-K471 PolarHBondContact OE1-NZ 2.94Å; S364-K471 PolarHBondContact OG-NZ 3.42Å; I367-K471 HydrophobicContact CD1-CB 3.74Å; I367-K471 HydrophobicContact CD1-CG 3.84Å; E379-K471 WeakPolarHBondContact O-CD 3.46Å; E379-K471 VanDerWaalsContact O-CE 3.31Å; E379-K471 WeakPolarHBondContact O-CE 3.2Å; E379-K471 PolarHBondContact O-NZ 2.98Å; L381-K471 HydrophobicContact CD1-CB 4.15Å; L381-K471 HydrophobicContact CD1-CD 4.31Å; F409-K471 HydrophobicContact CB-CB 4.3Å; F409-K471 PolarHBondContact N-O 3.49Å; F409-K471 PolarHBondContact O-N 3.4Å
472	W	96.4	Very high	93.6	Very high	9 Å²	9	43.8 Å²	43.8	3%	0.034	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	119.9	175.1	-63.5	-69.5	0	0	0	109.8	F353 A378 E379 H382 D397 R405 N470	F353-W472 HydrophobicContact CE1-CE3 4.44Å; F353-W472 AromaticContact CE1-CZ3 3.88Å; F353-W472 HydrophobicContact CE1-CZ3 3.88Å; F353-W472 HydrophobicContact CZ-CZ3 4.11Å; A378-W472 WeakPolarHBondContact CA-O 3.35Å; A378-W472 VanDerWaalsContact CB-O 3.29Å; A378-W472 WeakPolarHBondContact CB-O 3.46Å; E379-W472 HydrophobicContact CB-CB 4.43Å; E379-W472 HydrophobicContact CB-CE3 4.32Å; E379-W472 HydrophobicContact CG-CB 4.25Å; E379-W472 PolarHBondContact N-O 3.33Å; H382-W472 HydrophobicContact CB-CE3 4.33Å; H382-W472 HydrophobicContact CB-CH2 4.04Å; H382-W472 HydrophobicContact CB-CZ3 3.56Å; H382-W472 AromaticContact CG-CH2 3.81Å; H382-W472 AromaticContact CG-CZ3 3.68Å; H382-W472 AromaticContact ND1-CH2 3.44Å; H382-W472 WeakPolarHBondContact ND1-CH2 3.36Å; H382-W472 AromaticContact ND1-CZ3 3.83Å; D397-W472 VanDerWaalsContact CG-NE1 3.27Å; D397-W472 PolarHBondContact OD1-NE1 2.94Å; D397-W472 PolarHBondContact OD2-NE1 2.64Å; R405-W472 HydrophobicContact CB-CB 4.46Å; R405-W472 HydrophobicContact CG-CB 3.87Å; R405-W472 HydrophobicContact CG-CG 4.31Å; R405-W472 VanDerWaalsContact CZ-CE2 3.48Å; R405-W472 VanDerWaalsContact NH2-CD2 3.34Å; N470-W472 HydrophobicContact CB-CD2 4.41Å; N470-W472 HydrophobicContact CB-CH2 4.14Å; N470-W472 HydrophobicContact CB-CZ2 3.92Å; N470-W472 HydrophobicContact CB-CZ3 4.46Å
473	I	96	Very high	93.5	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	130.3	-178.1	-58.1	171.4	0	0	0	107.7	I367 L373 S374 A378 R405 T406 A407	I367-I473 HydrophobicContact CG2-CD1 4.16Å; L373-I473 HydrophobicContact CB-CD1 4.23Å; L373-I473 HydrophobicContact CB-CG2 4.16Å; L373-I473 HydrophobicContact CD1-CD1 3.87Å; L373-I473 HydrophobicContact CD1-CG2 4.18Å; S374-I473 WeakPolarHBondContact O-CG2 3.33Å; A378-I473 HydrophobicContact CB-CG1 4.44Å; R405-I473 CarbonylContact C-O 3.56Å; R405-I473 VanDerWaalsContact C-O 3.28Å; R405-I473 WeakPolarHBondContact CA-O 3.21Å; T406-I473 HydrophobicContact CG2-CB 4.37Å; T406-I473 HydrophobicContact CG2-CG2 4.02Å; T406-I473 WeakPolarHBondContact CG2-O 3.41Å; T406-I473 PolarHBondContact N-O 3.1Å; A407-I473 PolarHBondContact N-O 3.39Å; A407-I473 PolarHBondContact O-N 3.13Å
474	H	93.9	Very high	93.2	Very high	21 Å²	21	46.4 Å²	46.4	10%	0.097	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	159.4	-176.8	-77.5	-119.7	0	0	0	112.5	E379 N403 E404 Q478	E379-H474 VanDerWaalsContact CG-NE2 3.28Å; E379-H474 WeakPolarHBondContact CG-NE2 3.28Å; E379-H474 IonicContact OE1-NE2 2.71Å; E379-H474 PolarHBondContact OE1-NE2 2.95Å; N403-H474 PolarHBondContact ND2-ND1 3.48Å; N403-H474 VanDerWaalsContact ND2-ND1 3.1Å; N403-H474 PolarHBondContact O-CE1 3.49Å; N403-H474 PolarHBondContact O-ND1 3.46Å; N403-H474 WeakPolarHBondContact OD1-CB 3.42Å; E404-H474 CarbonylContact O-C 3.59Å; E404-H474 WeakPolarHBondContact O-CA 3.46Å; H474-Q478 WeakPolarHBondContact O-CG 3.32Å; H474-Q478 PolarHBondContact O-NE2 3.01Å; H474-Q478 VanDerWaalsContact O-NE2 3.12Å
475	E	91.6	Very high	92.9	Very high	64 Å²	64	46.6 Å²	46.6	30%	0.299	24%	0.235	S	C	.	.	S	Bend	trans	-63.4	-38	176.5	-175.4	176.1	-135.8	0	0	112.9	E404 Q478	E404-E475 PolarHBondContact O-N 3.27Å; E475-Q478 WeakPolarHBondContact O-CB 3.31Å; E475-Q478 VanDerWaalsContact O-CG 3.25Å; E475-Q478 WeakPolarHBondContact O-CG 3.28Å; E475-Q478 PolarHBondContact O-N 2.89Å
476	F	90.9	Very high	92.3	Very high	98 Å²	98	53.2 Å²	53.2	43%	0.43	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	143	177.4	-71.2	3.3	0	0	0	111.5	S377 V402 N403 Q478	S377-F476 VanDerWaalsContact CB-O 3.32Å; S377-F476 WeakPolarHBondContact CB-O 3.41Å; S377-F476 PolarHBondContact OG-O 3.03Å; V402-F476 HydrophobicContact CG1-CZ 4.36Å; V402-F476 WeakPolarHBondContact O-CE1 3.26Å; V402-F476 WeakPolarHBondContact O-CZ 3.37Å; N403-F476 HydrophobicContact CB-CD1 4.17Å; N403-F476 HydrophobicContact CB-CD2 3.87Å; N403-F476 HydrophobicContact CB-CE1 4.02Å; N403-F476 HydrophobicContact CB-CE2 3.74Å; N403-F476 HydrophobicContact CB-CG 4.1Å; N403-F476 HydrophobicContact CB-CZ 3.82Å; N403-F476 VanDerWaalsContact CG-CD2 3.48Å; N403-F476 VanDerWaalsContact CG-CG 3.43Å; N403-F476 WeakPolarHBondContact OD1-CB 3.23Å; N403-F476 WeakPolarHBondContact OD1-CD1 3.44Å; N403-F476 WeakPolarHBondContact OD1-CG 3.3Å; N403-F476 PolarHBondContact OD1-N 3.13Å; F476-Q478 VanDerWaalsContact C-N 3.25Å; F476-Q478 PolarHBondContact O-N 3.09Å
477	G	91.3	Very high	91.6	Very high	28 Å²	28	55 Å²	55	29%	0.289	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	4.9	-177.5	0	0	0	0	0	114.1	S374 E479	S374-G477 VanDerWaalsContact CB-O 3.29Å; S374-G477 WeakPolarHBondContact CB-O 3.5Å; G477-E479 WeakPolarHBondContact CA-OE2 3.32Å; G477-E479 PolarHBondContact N-OE1 3.47Å; G477-E479 VanDerWaalsContact N-OE1 3.08Å; G477-E479 PolarHBondContact N-OE2 3.26Å
478	Q	93.4	Very high	90.3	Very high	5 Å²	5	60.8 Å²	60.8	2%	0.023	31%	0.309	C	S	.	.			trans	-102.2	4	176.7	-46.6	-54.7	-25.4	0	0	113.8	S374 T406 H474 E475 F476 F480 R481 R482	S374-Q478 PolarHBondContact O-NE2 3.45Å; T406-Q478 HydrophobicContact CG2-CG 4.41Å; H474-Q478 WeakPolarHBondContact O-CG 3.32Å; H474-Q478 PolarHBondContact O-NE2 3.01Å; H474-Q478 VanDerWaalsContact O-NE2 3.12Å; E475-Q478 WeakPolarHBondContact O-CB 3.31Å; E475-Q478 VanDerWaalsContact O-CG 3.25Å; E475-Q478 WeakPolarHBondContact O-CG 3.28Å; E475-Q478 PolarHBondContact O-N 2.89Å; F476-Q478 VanDerWaalsContact C-N 3.25Å; F476-Q478 PolarHBondContact O-N 3.09Å; Q478-F480 PolarHBondContact O-N 3.36Å; Q478-R481 PolarHBondContact O-N 3.43Å; Q478-R482 PolarHBondContact O-N 2.98Å; Q478-R482 HydrophobicContact CB-CB 4.12Å
479	E	90.3	Very high	88.9	Confident	116 Å²	116	71.2 Å²	71.2	54%	0.542	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-33.8	-168.9	-58.1	79.6	-176.9	0	0	112.8	G477	G477-E479 WeakPolarHBondContact CA-OE2 3.32Å; G477-E479 PolarHBondContact N-OE1 3.47Å; G477-E479 VanDerWaalsContact N-OE1 3.08Å; G477-E479 PolarHBondContact N-OE2 3.26Å
480	F	90.5	Very high	87.4	Confident	199 Å²	199	76.8 Å²	76.8	87%	0.873	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	-11.4	179.5	-56.4	-67.3	0	0	0	114.5	Q478	Q478-F480 PolarHBondContact O-N 3.36Å
481	R	90.6	Very high	86.9	Confident	132 Å²	132	80 Å²	80	50%	0.498	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-30.6	-177.6	-67.2	-175.6	-179.2	-162.5	8.3	112.3	G372 L373 Q478	G372-R481 WeakPolarHBondContact O-CD 3.39Å; L373-R481 VanDerWaalsContact C-NH1 3.33Å; L373-R481 PolarHBondContact O-NH1 3.2Å; Q478-R481 PolarHBondContact O-N 3.43Å
482	R	91.4	Very high	86.3	Confident	32 Å²	32	84.1 Å²	84.1	12%	0.121	41%	0.41	C	S	.	.	S	Bend	trans	-138.9	73.9	179.4	-169.6	-174.4	-173.1	-101.1	2.1	109.6	L373 T406 Y442 L444 H445 Q478	L373-R482 HydrophobicContact CD2-CB 3.98Å; T406-R482 PolarHBondContact OG1-NH1 3.44Å; Y442-R482 VanDerWaalsContact CD1-NE 3.3Å; L444-R482 PolarHBondContact O-NH2 3.08Å; H445-R482 PolarHBondContact O-NH1 3.37Å; H445-R482 PolarHBondContact O-NH2 3.32Å; Q478-R482 PolarHBondContact O-N 2.98Å; Q478-R482 HydrophobicContact CB-CB 4.12Å
483	P	88.8	Confident	85.8	Confident	84 Å²	84	88.2 Å²	88.2	55%	0.545	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-62.8	143.9	180	26.9	-34.8	0	0	0	111.3
484	C	85.8	Confident	85.1	Confident	93 Å²	93	93.4 Å²	93.4	63%	0.628	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-60.3	147.7	176	-57.1	0	0	0	0	111.7	K446	K446-C484 VanDerWaalsContact O-CA 3.25Å; K446-C484 WeakPolarHBondContact O-CA 3.46Å; K446-C484 WeakPolarHBondContact O-CB 3.35Å
485	S	84.1	Confident	84.6	Confident	27 Å²	27	97.9 Å²	97.9	19%	0.189	48%	0.479	C	S	.	.	P	Polyproline II helix	trans	-80.8	153.9	171.9	-169.9	0	0	0	0	110.9	S487 E490	S485-S487 VanDerWaalsContact C-N 3.27Å; S485-S487 PolarHBondContact OG-N 3.24Å; S485-S487 VanDerWaalsContact OG-N 3.07Å; S485-E490 WeakPolarHBondContact CB-OE2 3.1Å; S485-E490 PolarHBondContact OG-OE2 2.83Å
486	L	82	Confident	84.1	Confident	187 Å²	187	100.2 Å²	100.2	98%	0.979	49%	0.491	S	S	*	.	S	Bend	trans	-81.9	-10.5	166.3	-62.6	177.5	0	0	0	111.9
487	S	80.2	Confident	83.7	Confident	40 Å²	40	100.4 Å²	100.4	28%	0.28	50%	0.495	S	S	.	.	S	Bend	trans	-87.6	133.8	175.9	179.7	0	0	0	0	110.2	S485 W489	S485-S487 VanDerWaalsContact C-N 3.27Å; S485-S487 PolarHBondContact OG-N 3.24Å; S485-S487 VanDerWaalsContact OG-N 3.07Å; S487-W489 PolarHBondContact O-N 3.32Å; S487-W489 PolarHBondContact OG-N 3.37Å; S487-W489 VanDerWaalsContact OG-N 3.11Å
488	Q	69.4	Low	83.1	Confident	124 Å²	124	105.9 Å²	105.9	58%	0.579	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-17.6	169.9	-171.4	177.1	-1.2	0	0	112.3	N447	N447-Q488 PolarHBondContact ND2-O 3.35Å
489	W	68	Low	82.2	Confident	221 Å²	221	114.3 Å²	114.3	84%	0.837	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.7	6.1	-173.6	-51	108.1	0	0	0	113.8	S487	S487-W489 PolarHBondContact O-N 3.32Å; S487-W489 PolarHBondContact OG-N 3.37Å; S487-W489 VanDerWaalsContact OG-N 3.11Å
490	E	65.2	Low	81.5	Confident	117 Å²	117	114.2 Å²	114.2	55%	0.547	55%	0.552	S	S	.	*			trans	-116.5	0	-179	-71.8	-173.4	170.6	0	0	113.8	K446 N447 S485	K446-E490 WeakPolarHBondContact CB-O 3.36Å; K446-E490 VanDerWaalsContact N-C 3.32Å; K446-E490 PolarHBondContact N-O 2.92Å; K446-E490 PolarHBondContact N-OXT 3.19Å; N447-E490 PolarHBondContact N-O 3.05Å; N447-E490 VanDerWaalsContact N-O 3.1Å; S485-E490 WeakPolarHBondContact CB-OE2 3.1Å; S485-E490 PolarHBondContact OG-OE2 2.83Å

Retrieved 490 of 490 residues in 185.5 ms (Link to these results)

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