A0A087XQQ8_POEFO Loading...

Matrix metallopeptidase 19

AlphaFold DB , UniProt , Accession A0A087XQQ8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 476 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.5	Very low	44.8	Very low	255 Å²	255	164.6 Å²	164.6	100%	1.256	81%	0.807	S	S	*	*				0	120.5	0	-110	172	165.8	0	0	108.2
2	A	42.7	Very low	45.2	Very low	98 Å²	98	167.5 Å²	167.5	81%	0.81	80%	0.803	S	S	*	*			trans	-99.9	144.6	-172.7	0	0	0	0	0	111.9
3	K	40.1	Very low	45.2	Very low	210 Å²	210	164.1 Å²	164.1	91%	0.913	79%	0.791	S	S	*	*			trans	174.3	123.2	140.7	-98.4	167.3	-177.1	-179.9	0	106.8
4	E	50.7	Low	45.5	Very low	137 Å²	137	163.1 Å²	163.1	64%	0.64	78%	0.784	S	S	*	*				-159.4	166.9	81.1	-129.9	-172.5	-168	0	0	109.9	K6	E4-K6 VanDerWaalsContact OE1-CE 3.25Å; E4-K6 WeakPolarHBondContact OE1-CE 3.39Å; E4-K6 IonicContact OE1-NZ 2.67Å
5	P	48.5	Very low	45.8	Very low	107 Å²	107	160.1 Å²	160.1	70%	0.695	77%	0.773	S	S	*	*				-153.1	149	74.8	35.3	-12.7	0	0	0	118.1	R7	P5-R7 PolarHBondContact O-N 2.65Å
6	K	50.8	Low	46	Very low	174 Å²	174	158.6 Å²	158.6	76%	0.757	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	26.8	173.7	-71.5	174.4	178.5	165.7	0	115.7	E4	E4-K6 VanDerWaalsContact OE1-CE 3.25Å; E4-K6 WeakPolarHBondContact OE1-CE 3.39Å; E4-K6 IonicContact OE1-NZ 2.67Å
7	R	45	Very low	46.4	Very low	223 Å²	223	154.2 Å²	154.2	84%	0.842	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	-6.7	-174.7	-145.7	171.9	-176.7	178.3	0.1	114.9	P5	P5-R7 PolarHBondContact O-N 2.65Å
8	K	46	Very low	46.3	Very low	179 Å²	179	151.8 Å²	151.8	78%	0.778	74%	0.742	S	S	*	*	S	Bend	trans	-91.1	-6.9	-175.2	-79.3	-177.1	175.2	178.9	0	115.5
9	M	44.5	Very low	46.1	Very low	156 Å²	156	149.4 Å²	149.4	77%	0.768	73%	0.732	S	S	*	*	S	Bend	trans	-95.1	-25.7	-169.5	-151.7	155.4	72.4	0	0	114.1
10	F	43.6	Very low	46.1	Very low	175 Å²	175	146.8 Å²	146.8	77%	0.768	73%	0.725	S	S	*	*	H	α-helix	trans	-79.4	-38.6	179.4	-96.7	-89.7	0	0	0	113.7	R12 L13	F10-R12 PolarHBondContact O-N 3.32Å; F10-L13 PolarHBondContact O-N 2.73Å
11	C	43.3	Very low	45.8	Very low	97 Å²	97	145.6 Å²	145.6	66%	0.655	72%	0.721	S	S	*	*	H	α-helix	trans	-65.3	-22.5	176.3	-74.4	0	0	0	0	114	L15	C11-L15 WeakPolarHBondContact O-CB 3.11Å; C11-L15 PolarHBondContact O-N 3.29Å
12	R	50.2	Low	45.8	Very low	199 Å²	199	139.5 Å²	139.5	75%	0.751	69%	0.693	S	S	*	*	H	α-helix	trans	-78.5	-24.7	-178.9	-79.3	-172.8	168	-170.6	-4.1	113.2	F10 M16	F10-R12 PolarHBondContact O-N 3.32Å; R12-M16 PolarHBondContact O-N 2.87Å
13	L	45	Very low	45.5	Very low	123 Å²	123	139.7 Å²	139.7	64%	0.644	68%	0.684	S	S	*	*	H	α-helix	trans	-82.7	-39.9	-178.9	-155.1	69.9	0	0	0	111.3	F10 M16 V17	F10-L13 PolarHBondContact O-N 2.73Å; L13-M16 PolarHBondContact O-N 3.09Å; L13-V17 WeakPolarHBondContact O-CG2 3.37Å; L13-V17 PolarHBondContact O-N 2.77Å; L13-V17 VanDerWaalsContact O-N 3.09Å
14	E	49.8	Very low	45.7	Very low	150 Å²	150	135.3 Å²	135.3	70%	0.701	68%	0.675	S	S	*	*	H	α-helix	trans	-67.8	-37	174.6	-70.4	-165.5	162.4	0	0	112.8	M16 V17 L18	E14-M16 VanDerWaalsContact C-N 3.3Å; E14-M16 PolarHBondContact O-N 2.79Å; E14-V17 PolarHBondContact O-N 2.89Å; E14-L18 PolarHBondContact O-N 3.49Å
15	L	49	Very low	45.3	Very low	118 Å²	118	132.4 Å²	132.4	62%	0.618	67%	0.674	S	S	*	*	H	α-helix	trans	-67.3	-31.2	176.5	-139.2	82.7	0	0	0	112.3	C11 L19	C11-L15 WeakPolarHBondContact O-CB 3.11Å; C11-L15 PolarHBondContact O-N 3.29Å; L15-L19 VanDerWaalsContact O-CD1 3.29Å; L15-L19 WeakPolarHBondContact O-CD1 3.34Å; L15-L19 PolarHBondContact O-N 3.11Å; L15-L19 VanDerWaalsContact O-N 3.1Å
16	M	50	Low	44.7	Very low	137 Å²	137	133 Å²	133	68%	0.675	68%	0.681	S	S	*	*	H	α-helix	trans	-77.5	-32.7	175.6	-81.1	-156.1	143.5	0	0	112.8	R12 L13 E14 L19 V20	R12-M16 PolarHBondContact O-N 2.87Å; L13-M16 PolarHBondContact O-N 3.09Å; E14-M16 VanDerWaalsContact C-N 3.3Å; E14-M16 PolarHBondContact O-N 2.79Å; M16-L19 PolarHBondContact O-N 3.48Å; M16-V20 WeakPolarHBondContact O-CB 3.4Å; M16-V20 VanDerWaalsContact O-CG2 3.23Å; M16-V20 WeakPolarHBondContact O-CG2 3.42Å; M16-V20 PolarHBondContact O-N 3.47Å
17	V	51.8	Low	44.3	Very low	83 Å²	83	129.8 Å²	129.8	50%	0.503	68%	0.681	S	S	.	*	H	α-helix	trans	-70.1	-35.1	173	175.5	0	0	0	0	111	L13 E14 L21	L13-V17 WeakPolarHBondContact O-CG2 3.37Å; L13-V17 PolarHBondContact O-N 2.77Å; L13-V17 VanDerWaalsContact O-N 3.09Å; E14-V17 PolarHBondContact O-N 2.89Å; V17-L21 HydrophobicContact CG1-CD1 3.9Å; V17-L21 WeakPolarHBondContact O-CB 3.43Å; V17-L21 WeakPolarHBondContact O-CG 3.46Å; V17-L21 PolarHBondContact O-N 2.84Å
18	L	44.2	Very low	44.4	Very low	111 Å²	111	126.4 Å²	126.4	58%	0.581	68%	0.678	S	S	*	*	H	α-helix	trans	-66.5	-39.7	171.1	-116.2	90.7	0	0	0	112.6	E14 L21 L22	E14-L18 PolarHBondContact O-N 3.49Å; L18-L21 PolarHBondContact O-N 3.22Å; L18-L22 WeakPolarHBondContact O-CB 3.31Å; L18-L22 WeakPolarHBondContact O-CD1 3.48Å; L18-L22 WeakPolarHBondContact O-CG 3.34Å; L18-L22 PolarHBondContact O-N 3.4Å
19	L	43.4	Very low	44.7	Very low	107 Å²	107	122.3 Å²	122.3	56%	0.56	68%	0.677	S	S	*	*	H	α-helix	trans	-71.1	-31.3	176.8	-102.9	103.1	0	0	0	113.5	L15 M16 T23	L15-L19 VanDerWaalsContact O-CD1 3.29Å; L15-L19 WeakPolarHBondContact O-CD1 3.34Å; L15-L19 PolarHBondContact O-N 3.11Å; L15-L19 VanDerWaalsContact O-N 3.1Å; M16-L19 PolarHBondContact O-N 3.48Å; L19-T23 WeakPolarHBondContact O-CG2 3.43Å; L19-T23 PolarHBondContact O-N 3.01Å; L19-T23 PolarHBondContact O-OG1 3.06Å
20	V	45.9	Very low	45.4	Very low	96 Å²	96	117.8 Å²	117.8	58%	0.582	66%	0.656	S	S	*	*	H	α-helix	trans	-76.9	-30.8	175.9	173.2	0	0	0	0	111.3	M16 T23	M16-V20 WeakPolarHBondContact O-CB 3.4Å; M16-V20 VanDerWaalsContact O-CG2 3.23Å; M16-V20 WeakPolarHBondContact O-CG2 3.42Å; M16-V20 PolarHBondContact O-N 3.47Å; V20-T23 PolarHBondContact O-OG1 3.05Å
21	L	39.4	Very low	47	Very low	122 Å²	122	112 Å²	112	64%	0.639	64%	0.637	S	S	*	*	H	α-helix	trans	-77.7	-19.1	171.7	-72.1	166.9	0	0	0	113.6	V17 L18	V17-L21 HydrophobicContact CG1-CD1 3.9Å; V17-L21 WeakPolarHBondContact O-CB 3.43Å; V17-L21 WeakPolarHBondContact O-CG 3.46Å; V17-L21 PolarHBondContact O-N 2.84Å; L18-L21 PolarHBondContact O-N 3.22Å
22	L	37.3	Very low	48.7	Very low	127 Å²	127	112.2 Å²	112.2	67%	0.665	64%	0.64	S	S	*	*	S	Bend	trans	-90.2	-6	173.7	-83.2	156.7	0	0	0	114.1	L18	L18-L22 WeakPolarHBondContact O-CB 3.31Å; L18-L22 WeakPolarHBondContact O-CD1 3.48Å; L18-L22 WeakPolarHBondContact O-CG 3.34Å; L18-L22 PolarHBondContact O-N 3.4Å
23	T	37.7	Very low	50.3	Low	103 Å²	103	110.4 Å²	110.4	63%	0.632	64%	0.637	S	S	*	*	S	Bend	trans	-103.7	4.9	179.9	45	0	0	0	0	114.4	L19 V20	L19-T23 WeakPolarHBondContact O-CG2 3.43Å; L19-T23 PolarHBondContact O-N 3.01Å; L19-T23 PolarHBondContact O-OG1 3.06Å; V20-T23 PolarHBondContact O-OG1 3.05Å
24	T	43.4	Very low	52.4	Low	117 Å²	117	105.8 Å²	105.8	72%	0.718	61%	0.613	S	S	*	*	S	Bend	trans	-117.6	31.5	173.6	58.8	0	0	0	0	114.2
25	A	41.9	Very low	54.1	Low	76 Å²	76	103 Å²	103	63%	0.628	60%	0.603	S	S	*	*			trans	-150.4	58.3	168.2	0	0	0	0	0	111.8	S27	A25-S27 PolarHBondContact O-N 2.72Å
26	S	36.5	Very low	55.9	Low	121 Å²	121	101.8 Å²	101.8	85%	0.846	60%	0.6	S	S	*	*			trans	-91	58.4	155.5	-70.2	0	0	0	0	109.4
27	S	42.8	Very low	57.8	Low	106 Å²	106	98.4 Å²	98.4	74%	0.741	58%	0.583	S	S	*	*			trans	-99.3	100.6	156.3	-57.9	0	0	0	0	104.7	A25 A29	A25-S27 PolarHBondContact O-N 2.72Å; S27-A29 PolarHBondContact O-N 3.31Å
28	I	47.3	Very low	59.6	Low	151 Å²	151	94.6 Å²	94.6	77%	0.774	56%	0.56	S	S	*	*			trans	-59.1	108.2	170.1	-61	170.8	0	0	0	105.5	L30	I28-L30 PolarHBondContact O-N 2.8Å
29	A	51.1	Low	61.8	Low	93 Å²	93	89.9 Å²	89.9	77%	0.769	54%	0.536	S	S	*	.			trans	-62	112.1	171.8	0	0	0	0	0	107.2	S27	S27-A29 PolarHBondContact O-N 3.31Å
30	L	60.5	Low	63.9	Low	61 Å²	61	87.3 Å²	87.3	32%	0.319	53%	0.53	S	S	.	.			trans	-59.5	142.3	177.7	-126.9	84.3	0	0	0	110.1	I28 D34 L83	I28-L30 PolarHBondContact O-N 2.8Å; L30-D34 HydrophobicContact CD2-CB 3.79Å; L30-D34 HydrophobicContact CG-CB 4.09Å; L30-L83 HydrophobicContact CD2-CB 4.03Å; L30-L83 HydrophobicContact CD2-CD2 3.3Å; L30-L83 HydrophobicContact CD2-CG 3.37Å; L30-L83 WeakPolarHBondContact CD2-O 3.5Å
31	S	76.7	Confident	66	Low	54 Å²	54	83.9 Å²	83.9	38%	0.378	51%	0.507	S	S	.	.			trans	-76.9	152.6	-176.3	78.4	0	0	0	0	111.8	K33 D34 L35	S31-K33 PolarHBondContact O-N 2.69Å; S31-K33 VanDerWaalsContact O-N 3.09Å; S31-D34 WeakPolarHBondContact CB-OD2 3.22Å; S31-D34 PolarHBondContact N-OD2 2.9Å; S31-D34 VanDerWaalsContact N-OD2 3.14Å; S31-D34 PolarHBondContact O-N 2.72Å; S31-D34 PolarHBondContact OG-N 2.8Å; S31-D34 PolarHBondContact OG-OD2 2.96Å; S31-L35 PolarHBondContact O-N 3.28Å
32	S	78.5	Confident	68.5	Low	102 Å²	102	78.1 Å²	78.1	71%	0.713	48%	0.477	S	S	*	.	H	α-helix	trans	-53.4	-29.9	172.8	174.9	0	0	0	0	112.8	T36	S32-T36 PolarHBondContact O-N 2.99Å; S32-T36 VanDerWaalsContact O-N 3.15Å; S32-T36 PolarHBondContact O-OG1 2.94Å
33	K	85.1	Confident	70.8	Confident	160 Å²	160	76 Å²	76	70%	0.696	46%	0.46	S	S	*	.	H	α-helix	trans	-67.6	-43.5	175.4	-173.1	-178.5	176.5	-175	0	112.1	S31 L35 T36 E37	S31-K33 PolarHBondContact O-N 2.69Å; S31-K33 VanDerWaalsContact O-N 3.09Å; K33-L35 VanDerWaalsContact C-N 3.33Å; K33-L35 PolarHBondContact O-N 2.89Å; K33-T36 WeakPolarHBondContact O-CB 3.38Å; K33-T36 PolarHBondContact O-N 3.42Å; K33-E37 PolarHBondContact O-N 3.2Å
34	D	87.7	Confident	73.1	Confident	27 Å²	27	75.9 Å²	75.9	14%	0.144	45%	0.45	C	S	.	.	H	α-helix	trans	-65.2	-38.1	179.6	-60.4	-49.8	0	0	0	111.4	L30 S31 E37 A38 L88 R92	L30-D34 HydrophobicContact CD2-CB 3.79Å; L30-D34 HydrophobicContact CG-CB 4.09Å; S31-D34 WeakPolarHBondContact CB-OD2 3.22Å; S31-D34 PolarHBondContact N-OD2 2.9Å; S31-D34 VanDerWaalsContact N-OD2 3.14Å; S31-D34 PolarHBondContact O-N 2.72Å; S31-D34 PolarHBondContact OG-N 2.8Å; S31-D34 PolarHBondContact OG-OD2 2.96Å; D34-E37 PolarHBondContact O-N 3Å; D34-A38 WeakPolarHBondContact O-CB 3.16Å; D34-A38 PolarHBondContact O-N 2.85Å; D34-L88 HydrophobicContact CB-CD1 4.3Å; D34-L88 HydrophobicContact CB-CD2 3.75Å; D34-L88 WeakPolarHBondContact OD1-CD2 3.4Å; D34-R92 IonicContact OD1-CZ 3.9Å; D34-R92 IonicContact OD1-NH2 3.24Å; D34-R92 PolarHBondContact OD1-NH2 2.89Å
35	L	85.9	Confident	75.3	Confident	92 Å²	92	70.7 Å²	70.7	48%	0.482	42%	0.418	S	S	.	.	H	α-helix	trans	-64.5	-41.7	174.4	-177.1	62.8	0	0	0	111.7	S31 K33 A38 V39 L83	S31-L35 PolarHBondContact O-N 3.28Å; K33-L35 VanDerWaalsContact C-N 3.33Å; K33-L35 PolarHBondContact O-N 2.89Å; L35-A38 PolarHBondContact O-N 2.78Å; L35-V39 HydrophobicContact CD1-CG2 4.38Å; L35-V39 WeakPolarHBondContact O-CG2 3.4Å; L35-V39 PolarHBondContact O-N 3.32Å; L35-L83 HydrophobicContact CD1-CD2 4.23Å
36	T	86.8	Confident	77.4	Confident	92 Å²	92	67.2 Å²	67.2	56%	0.564	39%	0.39	S	S	*	.	H	α-helix	trans	-63.3	-43.7	177.7	-56.3	0	0	0	0	111.3	S32 K33 V39 A40	S32-T36 PolarHBondContact O-N 2.99Å; S32-T36 VanDerWaalsContact O-N 3.15Å; S32-T36 PolarHBondContact O-OG1 2.94Å; K33-T36 WeakPolarHBondContact O-CB 3.38Å; K33-T36 PolarHBondContact O-N 3.42Å; T36-V39 PolarHBondContact O-N 2.7Å; T36-A40 WeakPolarHBondContact O-CB 3.46Å; T36-A40 PolarHBondContact O-N 2.75Å
37	E	89.6	Confident	79.8	Confident	66 Å²	66	62 Å²	62	31%	0.308	35%	0.351	S	S	.	.	H	α-helix	trans	-60.1	-48.2	175.3	-176.9	-175.6	159.5	0	0	111.5	K33 D34 V39 A40 Y41 R92	K33-E37 PolarHBondContact O-N 3.2Å; D34-E37 PolarHBondContact O-N 3Å; E37-V39 PolarHBondContact O-N 2.8Å; E37-A40 PolarHBondContact O-N 2.82Å; E37-Y41 WeakPolarHBondContact O-CB 3.22Å; E37-Y41 PolarHBondContact O-N 2.84Å; E37-R92 WeakPolarHBondContact OE1-CG 3.43Å; E37-R92 IonicContact OE1-CZ 2.84Å; E37-R92 IonicContact OE1-NE 2.62Å; E37-R92 PolarHBondContact OE1-NE 3.13Å; E37-R92 IonicContact OE1-NH2 3.71Å; E37-R92 IonicContact OE2-CZ 3.48Å; E37-R92 IonicContact OE2-NE 3.14Å; E37-R92 PolarHBondContact OE2-NE 2.81Å; E37-R92 IonicContact OE2-NH2 3.64Å; E37-R92 PolarHBondContact OE2-NH2 3.12Å
38	A	90.7	Very high	81.9	Confident	3 Å²	3	57.4 Å²	57.4	3%	0.025	32%	0.318	C	S	.	.	H	α-helix	trans	-63.6	-42.9	179.5	0	0	0	0	0	112.5	D34 L35 A40 Y41 L42 L83 M91	D34-A38 WeakPolarHBondContact O-CB 3.16Å; D34-A38 PolarHBondContact O-N 2.85Å; L35-A38 PolarHBondContact O-N 2.78Å; A38-A40 VanDerWaalsContact C-N 3.33Å; A38-A40 PolarHBondContact O-N 3.33Å; A38-Y41 WeakPolarHBondContact O-CB 3.43Å; A38-Y41 PolarHBondContact O-N 3.05Å; A38-L42 VanDerWaalsContact O-CG 3.24Å; A38-L42 WeakPolarHBondContact O-CG 3.12Å; A38-L42 PolarHBondContact O-N 3.39Å; A38-L83 HydrophobicContact CB-CD1 3.65Å; A38-L83 HydrophobicContact CB-CD2 3.47Å; A38-L83 VanDerWaalsContact CB-CD2 3.47Å; A38-L83 HydrophobicContact CB-CG 4.22Å; A38-M91 HydrophobicContact CB-CE 4.42Å; A38-M91 HydrophobicContact CB-SD 3.77Å
39	V	89.1	Confident	83.2	Confident	12 Å²	12	56 Å²	56	7%	0.073	31%	0.308	C	S	.	.	H	α-helix	trans	-63.3	-41.4	176.3	169.4	0	0	0	0	111	L35 T36 E37 Y41 L42 R43 L48 P59 T64	L35-V39 HydrophobicContact CD1-CG2 4.38Å; L35-V39 WeakPolarHBondContact O-CG2 3.4Å; L35-V39 PolarHBondContact O-N 3.32Å; T36-V39 PolarHBondContact O-N 2.7Å; E37-V39 PolarHBondContact O-N 2.8Å; V39-Y41 VanDerWaalsContact C-N 3.33Å; V39-Y41 PolarHBondContact O-N 3.03Å; V39-L42 PolarHBondContact O-N 2.86Å; V39-R43 WeakPolarHBondContact O-CG 3.29Å; V39-R43 PolarHBondContact O-N 2.85Å; V39-L48 HydrophobicContact CG1-CD2 4.33Å; V39-P59 HydrophobicContact CG1-CG 3.59Å; V39-P59 HydrophobicContact CG2-CG 4.27Å; V39-T64 HydrophobicContact CG2-CG2 4.1Å
40	A	88.1	Confident	83.8	Confident	53 Å²	53	54.2 Å²	54.2	44%	0.438	29%	0.285	S	S	.	.	H	α-helix	trans	-62.3	-41.4	175.3	0	0	0	0	0	111.7	T36 E37 A38 R43 K44	T36-A40 WeakPolarHBondContact O-CB 3.46Å; T36-A40 PolarHBondContact O-N 2.75Å; E37-A40 PolarHBondContact O-N 2.82Å; A38-A40 VanDerWaalsContact C-N 3.33Å; A38-A40 PolarHBondContact O-N 3.33Å; A40-R43 PolarHBondContact O-N 2.95Å; A40-K44 WeakPolarHBondContact O-CB 3.45Å; A40-K44 PolarHBondContact O-N 2.9Å
41	Y	91	Very high	83.6	Confident	24 Å²	24	55 Å²	55	9%	0.094	29%	0.294	C	S	.	.	H	α-helix	trans	-59.6	-51.9	174.7	-175.5	-78.1	0	0	0	111.8	E37 A38 V39 R43 K44 Y45 Y47 F71 M91 R95	E37-Y41 WeakPolarHBondContact O-CB 3.22Å; E37-Y41 PolarHBondContact O-N 2.84Å; A38-Y41 WeakPolarHBondContact O-CB 3.43Å; A38-Y41 PolarHBondContact O-N 3.05Å; V39-Y41 VanDerWaalsContact C-N 3.33Å; V39-Y41 PolarHBondContact O-N 3.03Å; Y41-R43 PolarHBondContact O-N 2.61Å; Y41-K44 PolarHBondContact O-N 2.81Å; Y41-K44 VanDerWaalsContact O-N 3.15Å; Y41-Y45 AromaticContact CD1-CD2 3.76Å; Y41-Y45 HydrophobicContact CD1-CD2 3.76Å; Y41-Y45 HydrophobicContact CD1-CE2 4.37Å; Y41-Y45 AromaticContact CD2-CD2 3.81Å; Y41-Y45 HydrophobicContact CD2-CD2 3.81Å; Y41-Y45 AromaticContact CD2-CE2 3.55Å; Y41-Y45 HydrophobicContact CD2-CE2 3.55Å; Y41-Y45 AromaticContact CE1-CD2 3.58Å; Y41-Y45 HydrophobicContact CE1-CD2 3.58Å; Y41-Y45 HydrophobicContact CE1-CE2 4.21Å; Y41-Y45 HydrophobicContact CE1-CG 4.47Å; Y41-Y45 AromaticContact CE2-CD2 3.66Å; Y41-Y45 HydrophobicContact CE2-CD2 3.66Å; Y41-Y45 AromaticContact CE2-CE2 3.38Å; Y41-Y45 HydrophobicContact CE2-CE2 3.38Å; Y41-Y45 AromaticContact CG-CD2 3.85Å; Y41-Y45 HydrophobicContact CG-CD2 3.85Å; Y41-Y45 HydrophobicContact CG-CE2 4.05Å; Y41-Y45 AromaticContact CZ-CD2 3.54Å; Y41-Y45 AromaticContact CZ-CE2 3.73Å; Y41-Y45 WeakPolarHBondContact O-CD2 3.46Å; Y41-Y45 PolarHBondContact O-N 3.43Å; Y41-Y47 HydrophobicContact CE1-CE2 4.38Å; Y41-F71 AromaticContact CE1-CD2 3.88Å; Y41-F71 HydrophobicContact CE1-CD2 3.88Å; Y41-F71 AromaticContact CE1-CE2 3.59Å; Y41-F71 HydrophobicContact CE1-CE2 3.59Å; Y41-F71 HydrophobicContact CE1-CZ 4.35Å; Y41-F71 AromaticContact CZ-CE2 3.88Å; Y41-M91 HydrophobicContact CD1-CE 4.2Å; Y41-M91 HydrophobicContact CD1-CG 4.01Å; Y41-M91 HydrophobicContact CD1-SD 4.23Å; Y41-M91 HydrophobicContact CD2-CB 4Å; Y41-M91 HydrophobicContact CD2-CG 4.34Å; Y41-M91 HydrophobicContact CE1-CG 4.11Å; Y41-M91 HydrophobicContact CE2-CB 4.06Å; Y41-M91 HydrophobicContact CE2-CG 4.41Å; Y41-M91 WeakPolarHBondContact CE2-O 3.27Å; Y41-M91 HydrophobicContact CG-CB 4.26Å; Y41-M91 HydrophobicContact CG-CG 4.15Å; Y41-M91 HydrophobicContact CG-SD 4.28Å; Y41-R95 WeakPolarHBondContact OH-CD 3.41Å; Y41-R95 PolarHBondContact OH-NH1 2.9Å
42	L	91.1	Very high	82.2	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-61.6	-33.9	-178	-66.9	168.7	0	0	0	111.9	A38 V39 G46 Y47 L48 T64 A67 L68 F71 M91	A38-L42 VanDerWaalsContact O-CG 3.24Å; A38-L42 WeakPolarHBondContact O-CG 3.12Å; A38-L42 PolarHBondContact O-N 3.39Å; V39-L42 PolarHBondContact O-N 2.86Å; L42-G46 PolarHBondContact O-N 3.44Å; L42-Y47 HydrophobicContact CD2-CD2 4.2Å; L42-Y47 HydrophobicContact CD2-CG 4Å; L42-Y47 PolarHBondContact O-N 2.89Å; L42-L48 HydrophobicContact CB-CB 3.88Å; L42-L48 PolarHBondContact O-N 2.81Å; L42-T64 HydrophobicContact CD1-CG2 4.24Å; L42-A67 HydrophobicContact CB-CB 4.49Å; L42-A67 HydrophobicContact CD1-CB 4.03Å; L42-A67 HydrophobicContact CD2-CB 4.14Å; L42-A67 HydrophobicContact CG-CB 4.45Å; L42-L68 HydrophobicContact CD1-CD2 3.96Å; L42-L68 HydrophobicContact CD1-CG 3.96Å; L42-F71 HydrophobicContact CD2-CB 4.12Å; L42-M91 HydrophobicContact CD1-CE 4.46Å; L42-M91 HydrophobicContact CD2-CE 3.78Å; L42-M91 HydrophobicContact CG-CE 4.02Å
43	R	86.4	Confident	80.7	Confident	82 Å²	82	63.6 Å²	63.6	31%	0.309	33%	0.327	S	S	.	.	H	α-helix	trans	-68.7	-52.3	171.5	-71.6	175.1	-179.6	165.1	1.1	111.7	V39 A40 Y41 Y45 G46 L48 L57	V39-R43 WeakPolarHBondContact O-CG 3.29Å; V39-R43 PolarHBondContact O-N 2.85Å; A40-R43 PolarHBondContact O-N 2.95Å; Y41-R43 PolarHBondContact O-N 2.61Å; R43-Y45 PolarHBondContact O-N 3.47Å; R43-G46 PolarHBondContact O-N 2.98Å; R43-G46 VanDerWaalsContact O-N 3.17Å; R43-L48 HydrophobicContact CG-CB 4.44Å; R43-L48 HydrophobicContact CG-CD2 4.11Å; R43-L48 HydrophobicContact CG-CG 4.48Å; R43-L57 PolarHBondContact NH1-O 2.82Å; R43-L57 PolarHBondContact NH2-O 3.08Å
44	K	85.8	Confident	79	Confident	101 Å²	101	60.2 Å²	60.2	44%	0.439	32%	0.316	S	S	.	.	H	α-helix	trans	-55.3	-38.5	-176.3	-176.9	179.7	178.3	-172.1	0	112.1	A40 Y41 D181	A40-K44 WeakPolarHBondContact O-CB 3.45Å; A40-K44 PolarHBondContact O-N 2.9Å; Y41-K44 PolarHBondContact O-N 2.81Å; Y41-K44 VanDerWaalsContact O-N 3.15Å; K44-D181 IonicContact NZ-OD2 2.76Å; K44-D181 PolarHBondContact NZ-OD2 3.26Å
45	Y	88.9	Confident	77	Confident	9 Å²	9	65.4 Å²	65.4	4%	0.035	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	12.2	-175.8	-58.9	-65.1	0	0	0	114.3	Y41 R43 Y47 R95 D100 V186	Y41-Y45 AromaticContact CD1-CD2 3.76Å; Y41-Y45 HydrophobicContact CD1-CD2 3.76Å; Y41-Y45 HydrophobicContact CD1-CE2 4.37Å; Y41-Y45 AromaticContact CD2-CD2 3.81Å; Y41-Y45 HydrophobicContact CD2-CD2 3.81Å; Y41-Y45 AromaticContact CD2-CE2 3.55Å; Y41-Y45 HydrophobicContact CD2-CE2 3.55Å; Y41-Y45 AromaticContact CE1-CD2 3.58Å; Y41-Y45 HydrophobicContact CE1-CD2 3.58Å; Y41-Y45 HydrophobicContact CE1-CE2 4.21Å; Y41-Y45 HydrophobicContact CE1-CG 4.47Å; Y41-Y45 AromaticContact CE2-CD2 3.66Å; Y41-Y45 HydrophobicContact CE2-CD2 3.66Å; Y41-Y45 AromaticContact CE2-CE2 3.38Å; Y41-Y45 HydrophobicContact CE2-CE2 3.38Å; Y41-Y45 AromaticContact CG-CD2 3.85Å; Y41-Y45 HydrophobicContact CG-CD2 3.85Å; Y41-Y45 HydrophobicContact CG-CE2 4.05Å; Y41-Y45 AromaticContact CZ-CD2 3.54Å; Y41-Y45 AromaticContact CZ-CE2 3.73Å; Y41-Y45 WeakPolarHBondContact O-CD2 3.46Å; Y41-Y45 PolarHBondContact O-N 3.43Å; R43-Y45 PolarHBondContact O-N 3.47Å; Y45-Y47 PolarHBondContact O-N 3.41Å; Y45-R95 VanDerWaalsContact CG-CZ 3.48Å; Y45-R95 VanDerWaalsContact CZ-CD 3.44Å; Y45-D100 PolarHBondContact O-N 3.14Å; Y45-V186 WeakPolarHBondContact OH-CG2 3.25Å
46	G	86.6	Confident	75.4	Confident	3 Å²	3	67.1 Å²	67.1	3%	0.031	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	20.9	169.8	0	0	0	0	0	115.4	L42 R43 H49	L42-G46 PolarHBondContact O-N 3.44Å; R43-G46 PolarHBondContact O-N 2.98Å; R43-G46 VanDerWaalsContact O-N 3.17Å; G46-H49 PolarHBondContact O-CE1 2.03Å; G46-H49 PolarHBondContact O-NE2 3.04Å
47	Y	86.9	Confident	73.9	Confident	12 Å²	12	69.6 Å²	69.6	5%	0.047	36%	0.364	C	S	.	.	S	Bend	trans	-78.9	-27	169.3	-66.9	-86.2	0	0	0	112.1	Y41 L42 Y45 A67 I70 F71 V74 D100 F102	Y41-Y47 HydrophobicContact CE1-CE2 4.38Å; L42-Y47 HydrophobicContact CD2-CD2 4.2Å; L42-Y47 HydrophobicContact CD2-CG 4Å; L42-Y47 PolarHBondContact O-N 2.89Å; Y45-Y47 PolarHBondContact O-N 3.41Å; Y47-A67 WeakPolarHBondContact O-CB 3.44Å; Y47-I70 HydrophobicContact CD1-CB 4.16Å; Y47-I70 HydrophobicContact CD1-CG2 3.8Å; Y47-I70 HydrophobicContact CE1-CG2 3.9Å; Y47-F71 HydrophobicContact CD1-CB 4.14Å; Y47-F71 HydrophobicContact CE1-CB 4.01Å; Y47-F71 HydrophobicContact CE1-CD2 4.44Å; Y47-F71 HydrophobicContact CE2-CD2 4.09Å; Y47-F71 AromaticContact CZ-CD2 3.94Å; Y47-V74 HydrophobicContact CE1-CG2 4.07Å; Y47-V74 WeakPolarHBondContact OH-CG2 3.46Å; Y47-D100 HydrophobicContact CE1-CB 4.46Å; Y47-D100 HydrophobicContact CE2-CB 3.88Å; Y47-D100 WeakPolarHBondContact CE2-OD2 3.33Å; Y47-D100 WeakPolarHBondContact OH-CB 3.26Å; Y47-D100 VanDerWaalsContact OH-CG 3.28Å; Y47-D100 PolarHBondContact OH-OD2 2.88Å; Y47-F102 AromaticContact CE1-CD2 3.99Å; Y47-F102 HydrophobicContact CE1-CD2 3.99Å
48	L	85.4	Confident	72.7	Confident	9 Å²	9	72.9 Å²	72.9	5%	0.047	38%	0.383	C	S	.	.	S	Bend	trans	-123.4	106.3	-177	-176.5	65	0	0	0	110.8	V39 L42 R43 I50 P59 K63 A67	V39-L48 HydrophobicContact CG1-CD2 4.33Å; L42-L48 HydrophobicContact CB-CB 3.88Å; L42-L48 PolarHBondContact O-N 2.81Å; R43-L48 HydrophobicContact CG-CB 4.44Å; R43-L48 HydrophobicContact CG-CD2 4.11Å; R43-L48 HydrophobicContact CG-CG 4.48Å; L48-I50 HydrophobicContact CD2-CD1 4.44Å; L48-I50 HydrophobicContact CG-CG1 4.33Å; L48-P59 HydrophobicContact CD1-CB 4.41Å; L48-P59 HydrophobicContact CD2-CB 3.79Å; L48-P59 HydrophobicContact CD2-CG 3.45Å; L48-P59 VanDerWaalsContact CD2-CG 3.45Å; L48-K63 HydrophobicContact CD1-CB 3.81Å; L48-A67 HydrophobicContact CB-CB 4.14Å; L48-A67 HydrophobicContact CD1-CB 4.36Å
49	H	75.3	Confident	71.7	Confident	120 Å²	120	73.5 Å²	73.5	56%	0.556	39%	0.387	S	S	*	.			trans	-94.1	122.9	175.3	-59.7	-61.8	0	0	0	111.2	G46	G46-H49 PolarHBondContact O-CE1 2.03Å; G46-H49 PolarHBondContact O-NE2 3.04Å
50	I	63.4	Low	71.3	Confident	57 Å²	57	76.2 Å²	76.2	29%	0.292	41%	0.405	S	S	.	.			trans	-116.9	131.8	174.1	-55	178.7	0	0	0	107.9	L48 N54 P59	L48-I50 HydrophobicContact CD2-CD1 4.44Å; L48-I50 HydrophobicContact CG-CG1 4.33Å; I50-N54 HydrophobicContact CG2-CB 4.23Å; I50-P59 HydrophobicContact CD1-CB 4.04Å; I50-P59 HydrophobicContact CD1-CG 4.28Å
51	P	55.9	Low	71	Confident	78 Å²	78	78.8 Å²	78.8	51%	0.506	42%	0.417	S	S	.	.			trans	-57.7	139.5	174.2	-21.1	31.8	0	0	0	111.4	D53 N54	P51-D53 PolarHBondContact O-N 3.02Å; P51-N54 PolarHBondContact O-N 3.02Å; P51-N54 VanDerWaalsContact O-N 3.15Å
52	L	47.7	Very low	70.6	Confident	181 Å²	181	85.2 Å²	85.2	95%	0.948	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-21	-175.6	-73.3	158.3	0	0	0	114.3
53	D	48	Very low	70.3	Confident	154 Å²	154	89.7 Å²	89.7	82%	0.824	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-10.6	-178.7	-75.4	-20.5	0	0	0	114.8	P51	P51-D53 PolarHBondContact O-N 3.02Å
54	N	48.5	Very low	70.4	Confident	90 Å²	90	86.5 Å²	86.5	48%	0.481	46%	0.457	S	S	.	.			trans	-103.8	102.6	-177.6	-87.4	-26.8	0	0	0	112.1	I50 P51 H56	I50-N54 HydrophobicContact CG2-CB 4.23Å; P51-N54 PolarHBondContact O-N 3.02Å; P51-N54 VanDerWaalsContact O-N 3.15Å; N54-H56 PolarHBondContact O-N 3.33Å; N54-H56 VanDerWaalsContact O-N 3.07Å
55	T	46.6	Very low	70.6	Confident	136 Å²	136	85 Å²	85	83%	0.834	45%	0.452	S	S	*	.			trans	-68.8	10.2	167.5	45.9	0	0	0	0	113.9	L57	T55-L57 PolarHBondContact O-N 2.77Å
56	H	52	Low	70.7	Confident	127 Å²	127	89.1 Å²	89.1	59%	0.588	47%	0.471	S	S	*	.			trans	-69.5	107.8	178.8	-73.4	-73	0	0	0	110.8	N54 N58	N54-H56 PolarHBondContact O-N 3.33Å; N54-H56 VanDerWaalsContact O-N 3.07Å; H56-N58 PolarHBondContact O-N 3.45Å; H56-N58 VanDerWaalsContact O-N 3.08Å
57	L	55.7	Low	70.8	Confident	145 Å²	145	89 Å²	89	76%	0.759	47%	0.47	S	S	*	.	S	Bend	trans	-51.7	-29	173	-81.2	143.8	0	0	0	112.4	R43 T55	R43-L57 PolarHBondContact NH1-O 2.82Å; R43-L57 PolarHBondContact NH2-O 3.08Å; T55-L57 PolarHBondContact O-N 2.77Å
58	N	63.8	Low	71.1	Confident	134 Å²	134	88.9 Å²	88.9	72%	0.717	47%	0.47	S	S	*	.	S	Bend	trans	-108.8	115.9	-178.3	-64.7	-19.6	0	0	0	111.7	H56	H56-N58 PolarHBondContact O-N 3.45Å; H56-N58 VanDerWaalsContact O-N 3.08Å
59	P	70.6	Confident	71.4	Confident	16 Å²	16	93.8 Å²	93.8	10%	0.104	49%	0.488	C	S	.	.			trans	-69.2	156.5	172.6	8	4.5	0	0	0	111.1	V39 L48 I50	V39-P59 HydrophobicContact CG1-CG 3.59Å; V39-P59 HydrophobicContact CG2-CG 4.27Å; L48-P59 HydrophobicContact CD1-CB 4.41Å; L48-P59 HydrophobicContact CD2-CB 3.79Å; L48-P59 HydrophobicContact CD2-CG 3.45Å; L48-P59 VanDerWaalsContact CD2-CG 3.45Å; I50-P59 HydrophobicContact CD1-CB 4.04Å; I50-P59 HydrophobicContact CD1-CG 4.28Å
60	P	79	Confident	72.1	Confident	69 Å²	69	88.5 Å²	88.5	45%	0.448	46%	0.464	S	S	.	.			trans	-52.7	136.7	170.2	-24.9	33.9	0	0	0	111	E62 K63 T64	P60-E62 PolarHBondContact O-N 2.86Å; P60-K63 HydrophobicContact CB-CG 4.38Å; P60-K63 HydrophobicContact CG-CD 4.34Å; P60-K63 PolarHBondContact O-N 3.27Å; P60-K63 VanDerWaalsContact O-N 3.14Å; P60-T64 PolarHBondContact O-N 3.41Å; P60-T64 PolarHBondContact O-OG1 3.3Å
61	P	81.9	Confident	73.4	Confident	108 Å²	108	85.8 Å²	85.8	70%	0.701	45%	0.45	S	S	*	.	H	α-helix	trans	-53.2	-42.1	-179.2	-28.2	34.8	0	0	0	113	K63 T64 E65	P61-K63 PolarHBondContact O-N 2.9Å; P61-T64 WeakPolarHBondContact O-CB 3.38Å; P61-T64 PolarHBondContact O-N 2.88Å; P61-T64 VanDerWaalsContact O-N 3.11Å; P61-E65 WeakPolarHBondContact O-CB 3.28Å; P61-E65 PolarHBondContact O-N 3.45Å
62	E	83.9	Confident	75.1	Confident	158 Å²	158	82 Å²	82	74%	0.738	43%	0.426	S	S	*	.	H	α-helix	trans	-58.5	-43.3	179.5	-62.7	174.6	-176.7	0	0	112.8	P60 T64 E65 E66	P60-E62 PolarHBondContact O-N 2.86Å; E62-T64 VanDerWaalsContact C-N 3.32Å; E62-T64 PolarHBondContact O-N 3.5Å; E62-E65 PolarHBondContact O-N 3.46Å; E62-E66 PolarHBondContact O-N 3.49Å
63	K	84.8	Confident	77	Confident	95 Å²	95	78.6 Å²	78.6	41%	0.413	40%	0.403	S	S	.	.	H	α-helix	trans	-68.7	-34.7	177.9	-69.6	-166.2	173.8	-170.6	0	112	L48 P60 P61 A67	L48-K63 HydrophobicContact CD1-CB 3.81Å; P60-K63 HydrophobicContact CB-CG 4.38Å; P60-K63 HydrophobicContact CG-CD 4.34Å; P60-K63 PolarHBondContact O-N 3.27Å; P60-K63 VanDerWaalsContact O-N 3.14Å; P61-K63 PolarHBondContact O-N 2.9Å; K63-A67 WeakPolarHBondContact O-CB 3.46Å; K63-A67 PolarHBondContact O-N 2.95Å
64	T	88.3	Confident	78.6	Confident	15 Å²	15	71.4 Å²	71.4	9%	0.092	37%	0.365	C	S	.	.	H	α-helix	trans	-69.9	-42.7	177.5	-52.1	0	0	0	0	110.3	V39 L42 P60 P61 E62 A67 L68	V39-T64 HydrophobicContact CG2-CG2 4.1Å; L42-T64 HydrophobicContact CD1-CG2 4.24Å; P60-T64 PolarHBondContact O-N 3.41Å; P60-T64 PolarHBondContact O-OG1 3.3Å; P61-T64 WeakPolarHBondContact O-CB 3.38Å; P61-T64 PolarHBondContact O-N 2.88Å; P61-T64 VanDerWaalsContact O-N 3.11Å; E62-T64 VanDerWaalsContact C-N 3.32Å; E62-T64 PolarHBondContact O-N 3.5Å; T64-A67 PolarHBondContact O-N 3.41Å; T64-L68 HydrophobicContact CG2-CD1 4.24Å; T64-L68 WeakPolarHBondContact O-CB 3.11Å; T64-L68 VanDerWaalsContact O-CG 3.27Å; T64-L68 WeakPolarHBondContact O-CG 3.27Å; T64-L68 PolarHBondContact O-N 3.45Å
65	E	90.1	Very high	80.2	Confident	70 Å²	70	67.2 Å²	67.2	33%	0.327	34%	0.343	S	S	.	.	H	α-helix	trans	-60.1	-44.7	174.5	-174.2	-174.5	157.8	0	0	111.7	P61 E62 L68 R69	P61-E65 WeakPolarHBondContact O-CB 3.28Å; P61-E65 PolarHBondContact O-N 3.45Å; E62-E65 PolarHBondContact O-N 3.46Å; E65-L68 PolarHBondContact O-N 2.92Å; E65-R69 WeakPolarHBondContact O-CG 3.33Å; E65-R69 PolarHBondContact O-N 2.73Å; E65-R69 IonicContact OE1-CZ 2.72Å; E65-R69 IonicContact OE1-NE 2.71Å; E65-R69 IonicContact OE1-NH1 3.49Å; E65-R69 PolarHBondContact OE1-NH1 3.45Å; E65-R69 IonicContact OE1-NH2 3.28Å; E65-R69 PolarHBondContact OE1-NH2 2.82Å
66	E	89.6	Confident	82	Confident	94 Å²	94	66.9 Å²	66.9	44%	0.439	34%	0.335	S	S	.	.	H	α-helix	trans	-62	-47.1	175.7	-174.6	176.2	-168.8	0	0	111.9	E62 L68 R69 I70 N104	E62-E66 PolarHBondContact O-N 3.49Å; E66-L68 VanDerWaalsContact C-N 3.29Å; E66-L68 PolarHBondContact O-N 3.02Å; E66-R69 WeakPolarHBondContact O-CB 3.39Å; E66-R69 PolarHBondContact O-N 3.11Å; E66-R69 VanDerWaalsContact O-N 3.15Å; E66-I70 HydrophobicContact CG-CD1 4.36Å; E66-I70 WeakPolarHBondContact O-CG1 3.48Å; E66-I70 PolarHBondContact O-N 3.22Å; E66-N104 PolarHBondContact OE1-ND2 3.1Å
67	A	90.4	Very high	83.6	Confident	2 Å²	2	62.6 Å²	62.6	2%	0.017	32%	0.317	C	S	.	.	H	α-helix	trans	-59.1	-41	176.7	0	0	0	0	0	111.8	L42 Y47 L48 K63 T64 I70 F71	L42-A67 HydrophobicContact CB-CB 4.49Å; L42-A67 HydrophobicContact CD1-CB 4.03Å; L42-A67 HydrophobicContact CD2-CB 4.14Å; L42-A67 HydrophobicContact CG-CB 4.45Å; Y47-A67 WeakPolarHBondContact O-CB 3.44Å; L48-A67 HydrophobicContact CB-CB 4.14Å; L48-A67 HydrophobicContact CD1-CB 4.36Å; K63-A67 WeakPolarHBondContact O-CB 3.46Å; K63-A67 PolarHBondContact O-N 2.95Å; T64-A67 PolarHBondContact O-N 3.41Å; A67-I70 PolarHBondContact O-N 3.03Å; A67-F71 PolarHBondContact O-N 2.64Å
68	L	92.8	Very high	85.1	Confident	8 Å²	8	63.4 Å²	63.4	4%	0.042	32%	0.317	C	S	.	.	H	α-helix	trans	-63.5	-42.3	174.7	-74.8	168.2	0	0	0	112.1	L42 T64 E65 E66 I70 F71 Q72 G81 L83 T87 M91	L42-L68 HydrophobicContact CD1-CD2 3.96Å; L42-L68 HydrophobicContact CD1-CG 3.96Å; T64-L68 HydrophobicContact CG2-CD1 4.24Å; T64-L68 WeakPolarHBondContact O-CB 3.11Å; T64-L68 VanDerWaalsContact O-CG 3.27Å; T64-L68 WeakPolarHBondContact O-CG 3.27Å; T64-L68 PolarHBondContact O-N 3.45Å; E65-L68 PolarHBondContact O-N 2.92Å; E66-L68 VanDerWaalsContact C-N 3.29Å; E66-L68 PolarHBondContact O-N 3.02Å; L68-I70 VanDerWaalsContact C-N 3.32Å; L68-I70 PolarHBondContact O-N 3.12Å; L68-F71 PolarHBondContact O-N 2.92Å; L68-Q72 WeakPolarHBondContact O-CB 3.46Å; L68-Q72 VanDerWaalsContact O-CG 3.23Å; L68-Q72 WeakPolarHBondContact O-CG 3.38Å; L68-Q72 PolarHBondContact O-N 3.01Å; L68-G81 VanDerWaalsContact CD1-O 3.28Å; L68-G81 WeakPolarHBondContact CD1-O 3.39Å; L68-L83 HydrophobicContact CD1-CB 4.14Å; L68-L83 HydrophobicContact CD2-CD1 3.99Å; L68-T87 HydrophobicContact CD2-CG2 4.04Å; L68-M91 HydrophobicContact CD2-CE 3.63Å
69	R	91.5	Very high	86.4	Confident	112 Å²	112	60.7 Å²	60.7	42%	0.423	31%	0.305	S	S	.	.	H	α-helix	trans	-60.2	-42.2	176.2	-74.3	-177.5	174.6	149.4	4.6	112	E65 E66 K73 V79	E65-R69 WeakPolarHBondContact O-CG 3.33Å; E65-R69 PolarHBondContact O-N 2.73Å; E65-R69 IonicContact OE1-CZ 2.72Å; E65-R69 IonicContact OE1-NE 2.71Å; E65-R69 IonicContact OE1-NH1 3.49Å; E65-R69 PolarHBondContact OE1-NH1 3.45Å; E65-R69 IonicContact OE1-NH2 3.28Å; E65-R69 PolarHBondContact OE1-NH2 2.82Å; E66-R69 WeakPolarHBondContact O-CB 3.39Å; E66-R69 PolarHBondContact O-N 3.11Å; E66-R69 VanDerWaalsContact O-N 3.15Å; R69-K73 VanDerWaalsContact O-CB 3.31Å; R69-K73 WeakPolarHBondContact O-CB 3.36Å; R69-K73 PolarHBondContact O-N 2.84Å; R69-V79 HydrophobicContact CB-CG1 3.84Å; R69-V79 HydrophobicContact CG-CG1 3.87Å
70	I	88.9	Confident	87.4	Confident	9 Å²	9	61.3 Å²	61.3	5%	0.046	31%	0.31	C	S	.	.	H	α-helix	trans	-64.6	-49.5	177.8	-62.6	169.1	0	0	0	109.7	Y47 E66 A67 L68 Q72 K73 V74 F102	Y47-I70 HydrophobicContact CD1-CB 4.16Å; Y47-I70 HydrophobicContact CD1-CG2 3.8Å; Y47-I70 HydrophobicContact CE1-CG2 3.9Å; E66-I70 HydrophobicContact CG-CD1 4.36Å; E66-I70 WeakPolarHBondContact O-CG1 3.48Å; E66-I70 PolarHBondContact O-N 3.22Å; A67-I70 PolarHBondContact O-N 3.03Å; L68-I70 VanDerWaalsContact C-N 3.32Å; L68-I70 PolarHBondContact O-N 3.12Å; I70-Q72 PolarHBondContact O-N 3.06Å; I70-K73 WeakPolarHBondContact O-CB 3.37Å; I70-K73 PolarHBondContact O-N 2.91Å; I70-V74 PolarHBondContact O-N 2.83Å; I70-F102 HydrophobicContact CG2-CB 3.7Å
71	F	91.8	Very high	88	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-57.3	-47.5	177.7	173.1	-99.7	0	0	0	112.5	Y41 L42 Y47 A67 L68 K73 V74 S75 L77 T87 M90 M91 I243	Y41-F71 AromaticContact CE1-CD2 3.88Å; Y41-F71 HydrophobicContact CE1-CD2 3.88Å; Y41-F71 AromaticContact CE1-CE2 3.59Å; Y41-F71 HydrophobicContact CE1-CE2 3.59Å; Y41-F71 HydrophobicContact CE1-CZ 4.35Å; Y41-F71 AromaticContact CZ-CE2 3.88Å; L42-F71 HydrophobicContact CD2-CB 4.12Å; Y47-F71 HydrophobicContact CD1-CB 4.14Å; Y47-F71 HydrophobicContact CE1-CB 4.01Å; Y47-F71 HydrophobicContact CE1-CD2 4.44Å; Y47-F71 HydrophobicContact CE2-CD2 4.09Å; Y47-F71 AromaticContact CZ-CD2 3.94Å; A67-F71 PolarHBondContact O-N 2.64Å; L68-F71 PolarHBondContact O-N 2.92Å; F71-K73 VanDerWaalsContact C-N 3.31Å; F71-K73 PolarHBondContact O-N 3.38Å; F71-V74 WeakPolarHBondContact O-CG2 3.49Å; F71-V74 PolarHBondContact O-N 2.83Å; F71-S75 WeakPolarHBondContact CE2-OG 3.49Å; F71-S75 VanDerWaalsContact O-CB 3.25Å; F71-S75 WeakPolarHBondContact O-CB 3.14Å; F71-S75 PolarHBondContact O-N 3.03Å; F71-S75 PolarHBondContact O-OG 2.93Å; F71-L77 HydrophobicContact CE1-CD1 4.29Å; F71-T87 HydrophobicContact CD1-CG2 3.83Å; F71-T87 HydrophobicContact CE1-CG2 3.82Å; F71-M90 HydrophobicContact CE1-CB 4.31Å; F71-M90 HydrophobicContact CE1-CG 4.27Å; F71-M90 HydrophobicContact CZ-CB 4.18Å; F71-M90 HydrophobicContact CZ-CG 3.85Å; F71-M91 HydrophobicContact CD1-CE 3.63Å; F71-M91 HydrophobicContact CD1-CG 4.24Å; F71-M91 HydrophobicContact CE1-CE 3.85Å; F71-M91 HydrophobicContact CE1-CG 3.49Å; F71-M91 VanDerWaalsContact CE1-CG 3.49Å; F71-M91 HydrophobicContact CE1-SD 4.5Å; F71-M91 HydrophobicContact CE2-CG 4.11Å; F71-M91 HydrophobicContact CG-CE 4.01Å; F71-M91 HydrophobicContact CZ-CB 4.3Å; F71-M91 HydrophobicContact CZ-CE 4.41Å; F71-M91 HydrophobicContact CZ-CG 3.41Å; F71-M91 VanDerWaalsContact CZ-CG 3.41Å; F71-I243 HydrophobicContact CE2-CD1 4.14Å; F71-I243 HydrophobicContact CZ-CD1 4.25Å
72	Q	91.6	Very high	88.4	Confident	0 Å²	0	58 Å²	58	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59.9	-42.3	177.9	-75.6	168.6	-18.6	0	0	111.4	L68 I70 N76 L77 Q78 V79 S80 N82 T87	L68-Q72 WeakPolarHBondContact O-CB 3.46Å; L68-Q72 VanDerWaalsContact O-CG 3.23Å; L68-Q72 WeakPolarHBondContact O-CG 3.38Å; L68-Q72 PolarHBondContact O-N 3.01Å; I70-Q72 PolarHBondContact O-N 3.06Å; Q72-N76 PolarHBondContact O-N 2.97Å; Q72-L77 HydrophobicContact CB-CB 4.07Å; Q72-L77 HydrophobicContact CG-CB 4.24Å; Q72-L77 HydrophobicContact CG-CD1 4.31Å; Q72-L77 PolarHBondContact O-N 3.37Å; Q72-Q78 PolarHBondContact OE1-O 2.89Å; Q72-V79 HydrophobicContact CB-CG2 4.43Å; Q72-S80 PolarHBondContact NE2-OG 2.89Å; Q72-S80 VanDerWaalsContact NE2-OG 3.16Å; Q72-N82 PolarHBondContact NE2-O 2.89Å; Q72-T87 HydrophobicContact CG-CG2 4.18Å; Q72-T87 PolarHBondContact NE2-OG1 2.89Å
73	K	86.3	Confident	88.8	Confident	109 Å²	109	51.8 Å²	51.8	47%	0.474	26%	0.255	S	S	.	.	H	α-helix	trans	-62.1	-49.2	178.8	-175.8	178.8	-178.5	177.9	0	112.1	R69 I70 F71 S75 N76 V79 L107	R69-K73 VanDerWaalsContact O-CB 3.31Å; R69-K73 WeakPolarHBondContact O-CB 3.36Å; R69-K73 PolarHBondContact O-N 2.84Å; I70-K73 WeakPolarHBondContact O-CB 3.37Å; I70-K73 PolarHBondContact O-N 2.91Å; F71-K73 VanDerWaalsContact C-N 3.31Å; F71-K73 PolarHBondContact O-N 3.38Å; K73-S75 VanDerWaalsContact C-N 3.33Å; K73-N76 PolarHBondContact O-N 2.77Å; K73-V79 HydrophobicContact CB-CG2 3.95Å; K73-L107 HydrophobicContact CD-CD1 3.91Å; K73-L107 VanDerWaalsContact CE-CD1 3.5Å
74	V	82.6	Confident	89	Confident	3 Å²	3	49.6 Å²	49.6	2%	0.018	25%	0.247	C	C	.	.	H	α-helix	trans	-74.7	-25.4	-177.2	-58.1	0	0	0	0	113	Y47 I70 F71 N76 F102 L107 Q234 Y236	Y47-V74 HydrophobicContact CE1-CG2 4.07Å; Y47-V74 WeakPolarHBondContact OH-CG2 3.46Å; I70-V74 PolarHBondContact O-N 2.83Å; F71-V74 WeakPolarHBondContact O-CG2 3.49Å; F71-V74 PolarHBondContact O-N 2.83Å; V74-N76 VanDerWaalsContact C-N 3.28Å; V74-F102 HydrophobicContact CB-CD2 4.2Å; V74-F102 HydrophobicContact CB-CE2 4.12Å; V74-F102 HydrophobicContact CG1-CD2 3.72Å; V74-F102 HydrophobicContact CG1-CE2 4Å; V74-F102 HydrophobicContact CG1-CG 4.06Å; V74-F102 HydrophobicContact CG2-CD2 3.99Å; V74-F102 HydrophobicContact CG2-CE2 4.06Å; V74-L107 HydrophobicContact CG1-CD2 4.17Å; V74-Q234 HydrophobicContact CG1-CB 4.15Å; V74-Y236 WeakPolarHBondContact O-CB 3.41Å
75	S	82.6	Confident	89	Confident	2 Å²	2	52 Å²	52	1%	0.014	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	7.2	175.7	-49.6	0	0	0	0	113.3	F71 K73 L77 I243	F71-S75 WeakPolarHBondContact CE2-OG 3.49Å; F71-S75 VanDerWaalsContact O-CB 3.25Å; F71-S75 WeakPolarHBondContact O-CB 3.14Å; F71-S75 PolarHBondContact O-N 3.03Å; F71-S75 PolarHBondContact O-OG 2.93Å; K73-S75 VanDerWaalsContact C-N 3.33Å; S75-L77 VanDerWaalsContact C-N 3.32Å; S75-L77 PolarHBondContact O-N 2.83Å; S75-I243 WeakPolarHBondContact OG-CD1 3.3Å
76	N	84.8	Confident	89.1	Confident	128 Å²	128	51.6 Å²	51.6	68%	0.684	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	40.2	179.2	-168.8	66.5	0	0	0	113.7	Q72 K73 V74 Y236	Q72-N76 PolarHBondContact O-N 2.97Å; K73-N76 PolarHBondContact O-N 2.77Å; V74-N76 VanDerWaalsContact C-N 3.28Å; N76-Y236 HydrophobicContact CB-CG 4.35Å
77	L	84.2	Confident	89.2	Confident	38 Å²	38	47.1 Å²	47.1	20%	0.199	25%	0.249	C	C	.	.			trans	-99.3	168.7	172.7	-61.3	176.7	0	0	0	111.2	F71 Q72 S75 V79 M90	F71-L77 HydrophobicContact CE1-CD1 4.29Å; Q72-L77 HydrophobicContact CB-CB 4.07Å; Q72-L77 HydrophobicContact CG-CB 4.24Å; Q72-L77 HydrophobicContact CG-CD1 4.31Å; Q72-L77 PolarHBondContact O-N 3.37Å; S75-L77 VanDerWaalsContact C-N 3.32Å; S75-L77 PolarHBondContact O-N 2.83Å; L77-V79 PolarHBondContact O-N 3Å; L77-M90 HydrophobicContact CD1-CB 3.84Å; L77-M90 HydrophobicContact CD1-CG 4.08Å; L77-M90 HydrophobicContact CD2-CE 4.04Å
78	Q	87.8	Confident	89.3	Confident	162 Å²	162	47.4 Å²	47.4	76%	0.757	25%	0.25	S	S	*	.			trans	-64.7	123	169.2	-177.7	177.1	-17.4	0	0	109.6	Q72 S80	Q72-Q78 PolarHBondContact OE1-O 2.89Å; Q78-S80 PolarHBondContact O-N 2.94Å; Q78-S80 VanDerWaalsContact O-N 3.09Å
79	V	91.9	Very high	89.3	Confident	76 Å²	76	52.8 Å²	52.8	46%	0.461	28%	0.275	S	S	.	.			trans	-80.2	94.9	-178.8	-174.6	0	0	0	0	109.2	R69 Q72 K73 L77	R69-V79 HydrophobicContact CB-CG1 3.84Å; R69-V79 HydrophobicContact CG-CG1 3.87Å; Q72-V79 HydrophobicContact CB-CG2 4.43Å; K73-V79 HydrophobicContact CB-CG2 3.95Å; L77-V79 PolarHBondContact O-N 3Å
80	S	90.9	Very high	89.3	Confident	30 Å²	30	48.7 Å²	48.7	21%	0.21	26%	0.261	C	S	.	.			trans	-106.4	-31	177.5	65.7	0	0	0	0	111.9	Q72 Q78 N82	Q72-S80 PolarHBondContact NE2-OG 2.89Å; Q72-S80 VanDerWaalsContact NE2-OG 3.16Å; Q78-S80 PolarHBondContact O-N 2.94Å; Q78-S80 VanDerWaalsContact O-N 3.09Å; S80-N82 PolarHBondContact OG-N 2.94Å; S80-N82 PolarHBondContact OG-O 2.82Å
81	G	90.4	Very high	89.5	Confident	3 Å²	3	48.7 Å²	48.7	3%	0.031	26%	0.261	C	S	.	.	S	Bend	trans	77.8	-2.5	-165.8	0	0	0	0	0	113.7	L68	L68-G81 VanDerWaalsContact CD1-O 3.28Å; L68-G81 WeakPolarHBondContact CD1-O 3.39Å
82	N	91.5	Very high	89.5	Confident	105 Å²	105	53.3 Å²	53.3	56%	0.561	28%	0.278	S	S	*	.	S	Bend	trans	-95.1	143.8	177.8	-61.9	-37.5	0	0	0	110.1	Q72 S80 D84	Q72-N82 PolarHBondContact NE2-O 2.89Å; S80-N82 PolarHBondContact OG-N 2.94Å; S80-N82 PolarHBondContact OG-O 2.82Å; N82-D84 PolarHBondContact O-N 3.4Å
83	L	91.2	Very high	89.6	Confident	27 Å²	27	57.3 Å²	57.3	14%	0.141	30%	0.297	C	S	.	.			trans	-78.1	91	170.1	-173.1	65.5	0	0	0	109	L30 L35 A38 L68 T87 L88 M91	L30-L83 HydrophobicContact CD2-CB 4.03Å; L30-L83 HydrophobicContact CD2-CD2 3.3Å; L30-L83 HydrophobicContact CD2-CG 3.37Å; L30-L83 WeakPolarHBondContact CD2-O 3.5Å; L35-L83 HydrophobicContact CD1-CD2 4.23Å; A38-L83 HydrophobicContact CB-CD1 3.65Å; A38-L83 HydrophobicContact CB-CD2 3.47Å; A38-L83 VanDerWaalsContact CB-CD2 3.47Å; A38-L83 HydrophobicContact CB-CG 4.22Å; L68-L83 HydrophobicContact CD1-CB 4.14Å; L68-L83 HydrophobicContact CD2-CD1 3.99Å; L83-T87 HydrophobicContact CD1-CG2 3.92Å; L83-L88 HydrophobicContact CD1-CB 4.48Å; L83-M91 HydrophobicContact CD1-SD 4.22Å
84	D	89	Confident	89.9	Confident	48 Å²	48	53.5 Å²	53.5	26%	0.257	28%	0.283	S	S	.	.			trans	-94.3	169.9	173.2	56	40.9	0	0	0	111.9	N82 S86 T87 L88	N82-D84 PolarHBondContact O-N 3.4Å; D84-S86 VanDerWaalsContact C-N 3.28Å; D84-S86 PolarHBondContact O-N 3.38Å; D84-S86 PolarHBondContact OD1-N 2.77Å; D84-T87 WeakPolarHBondContact O-CB 3.2Å; D84-T87 PolarHBondContact O-N 2.94Å; D84-T87 VanDerWaalsContact O-N 3.17Å; D84-T87 VanDerWaalsContact OD1-CB 3.23Å; D84-T87 WeakPolarHBondContact OD1-CB 3.5Å; D84-T87 PolarHBondContact OD1-N 3.01Å; D84-T87 PolarHBondContact OD1-OG1 3.1Å; D84-L88 PolarHBondContact O-N 3.24Å
85	S	89.9	Confident	90.5	Very high	66 Å²	66	53.5 Å²	53.5	46%	0.462	28%	0.283	S	S	.	.	H	α-helix	trans	-58.4	-39.9	-178.4	52.7	0	0	0	0	112.3	L88 E89	S85-L88 PolarHBondContact O-N 3.41Å; S85-E89 WeakPolarHBondContact O-CB 3.2Å; S85-E89 VanDerWaalsContact O-CG 3.31Å; S85-E89 WeakPolarHBondContact O-CG 3.43Å; S85-E89 PolarHBondContact O-N 3.4Å
86	S	91.1	Very high	91	Very high	61 Å²	61	53.7 Å²	53.7	43%	0.427	28%	0.284	S	S	.	.	H	α-helix	trans	-65.4	-38.3	177.7	-59.4	0	0	0	0	112.5	D84 M90	D84-S86 VanDerWaalsContact C-N 3.28Å; D84-S86 PolarHBondContact O-N 3.38Å; D84-S86 PolarHBondContact OD1-N 2.77Å; S86-M90 WeakPolarHBondContact O-CB 3.15Å; S86-M90 PolarHBondContact O-N 3.38Å
87	T	91.2	Very high	91.2	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-63.7	-45.6	174.7	-58.9	0	0	0	0	110.9	L68 F71 Q72 L83 D84 M90 M91	L68-T87 HydrophobicContact CD2-CG2 4.04Å; F71-T87 HydrophobicContact CD1-CG2 3.83Å; F71-T87 HydrophobicContact CE1-CG2 3.82Å; Q72-T87 HydrophobicContact CG-CG2 4.18Å; Q72-T87 PolarHBondContact NE2-OG1 2.89Å; L83-T87 HydrophobicContact CD1-CG2 3.92Å; D84-T87 WeakPolarHBondContact O-CB 3.2Å; D84-T87 PolarHBondContact O-N 2.94Å; D84-T87 VanDerWaalsContact O-N 3.17Å; D84-T87 VanDerWaalsContact OD1-CB 3.23Å; D84-T87 WeakPolarHBondContact OD1-CB 3.5Å; D84-T87 PolarHBondContact OD1-N 3.01Å; D84-T87 PolarHBondContact OD1-OG1 3.1Å; T87-M90 PolarHBondContact O-N 3.49Å; T87-M91 HydrophobicContact CG2-CE 4.04Å; T87-M91 WeakPolarHBondContact O-CG 3.39Å; T87-M91 PolarHBondContact O-N 2.81Å
88	L	93.5	Very high	91.3	Very high	9 Å²	9	48 Å²	48	5%	0.047	26%	0.26	C	S	.	.	H	α-helix	trans	-67.3	-42.2	179.5	-172.7	66.8	0	0	0	112.3	D34 L83 D84 S85 M90 M91 R92	D34-L88 HydrophobicContact CB-CD1 4.3Å; D34-L88 HydrophobicContact CB-CD2 3.75Å; D34-L88 WeakPolarHBondContact OD1-CD2 3.4Å; L83-L88 HydrophobicContact CD1-CB 4.48Å; D84-L88 PolarHBondContact O-N 3.24Å; S85-L88 PolarHBondContact O-N 3.41Å; L88-M90 PolarHBondContact O-N 2.63Å; L88-M91 PolarHBondContact O-N 3.28Å; L88-R92 WeakPolarHBondContact O-CG 3.08Å; L88-R92 PolarHBondContact O-N 2.99Å; L88-R92 VanDerWaalsContact O-N 3.1Å
89	E	91.6	Very high	91.2	Very high	120 Å²	120	45.6 Å²	45.6	56%	0.561	25%	0.248	S	C	*	.	H	α-helix	trans	-60	-36.7	173.9	-78.1	176.1	-178.8	0	0	112.1	S85 R92 Q93	S85-E89 WeakPolarHBondContact O-CB 3.2Å; S85-E89 VanDerWaalsContact O-CG 3.31Å; S85-E89 WeakPolarHBondContact O-CG 3.43Å; S85-E89 PolarHBondContact O-N 3.4Å; E89-R92 PolarHBondContact O-N 3.26Å; E89-Q93 WeakPolarHBondContact O-CG 2.99Å; E89-Q93 PolarHBondContact O-N 3.29Å; E89-Q93 PolarHBondContact O-NE2 2.81Å; E89-Q93 VanDerWaalsContact O-NE2 3.1Å
90	M	92.1	Very high	90.8	Very high	27 Å²	27	42.2 Å²	42.2	13%	0.133	23%	0.228	C	C	.	.	H	α-helix	trans	-71.2	-40.9	176.1	-172.5	60.5	75.1	0	0	112.2	F71 L77 S86 T87 L88 R92 Q93 Y236 I243	F71-M90 HydrophobicContact CE1-CB 4.31Å; F71-M90 HydrophobicContact CE1-CG 4.27Å; F71-M90 HydrophobicContact CZ-CB 4.18Å; F71-M90 HydrophobicContact CZ-CG 3.85Å; L77-M90 HydrophobicContact CD1-CB 3.84Å; L77-M90 HydrophobicContact CD1-CG 4.08Å; L77-M90 HydrophobicContact CD2-CE 4.04Å; S86-M90 WeakPolarHBondContact O-CB 3.15Å; S86-M90 PolarHBondContact O-N 3.38Å; T87-M90 PolarHBondContact O-N 3.49Å; L88-M90 PolarHBondContact O-N 2.63Å; M90-R92 PolarHBondContact O-N 2.69Å; M90-Q93 WeakPolarHBondContact O-CB 3.41Å; M90-Q93 PolarHBondContact O-N 2.96Å; M90-Q93 VanDerWaalsContact O-N 3.09Å; M90-Q93 HydrophobicContact SD-CG 4.12Å; M90-Y236 HydrophobicContact CE-CE2 4.17Å; M90-Y236 HydrophobicContact SD-CE2 3.95Å; M90-I243 HydrophobicContact CG-CD1 3.61Å; M90-I243 HydrophobicContact SD-CD1 3.59Å; M90-I243 VanDerWaalsContact SD-CD1 3.59Å; M90-I243 HydrophobicContact SD-CG2 4.1Å
91	M	93.4	Very high	89.8	Confident	9 Å²	9	42.1 Å²	42.1	4%	0.044	23%	0.227	C	C	.	.	H	α-helix	trans	-61.5	-27.9	174.4	-73.5	-179.6	171.9	0	0	112.6	A38 Y41 L42 L68 F71 L83 T87 L88 Q93	A38-M91 HydrophobicContact CB-CE 4.42Å; A38-M91 HydrophobicContact CB-SD 3.77Å; Y41-M91 HydrophobicContact CD1-CE 4.2Å; Y41-M91 HydrophobicContact CD1-CG 4.01Å; Y41-M91 HydrophobicContact CD1-SD 4.23Å; Y41-M91 HydrophobicContact CD2-CB 4Å; Y41-M91 HydrophobicContact CD2-CG 4.34Å; Y41-M91 HydrophobicContact CE1-CG 4.11Å; Y41-M91 HydrophobicContact CE2-CB 4.06Å; Y41-M91 HydrophobicContact CE2-CG 4.41Å; Y41-M91 WeakPolarHBondContact CE2-O 3.27Å; Y41-M91 HydrophobicContact CG-CB 4.26Å; Y41-M91 HydrophobicContact CG-CG 4.15Å; Y41-M91 HydrophobicContact CG-SD 4.28Å; L42-M91 HydrophobicContact CD1-CE 4.46Å; L42-M91 HydrophobicContact CD2-CE 3.78Å; L42-M91 HydrophobicContact CG-CE 4.02Å; L68-M91 HydrophobicContact CD2-CE 3.63Å; F71-M91 HydrophobicContact CD1-CE 3.63Å; F71-M91 HydrophobicContact CD1-CG 4.24Å; F71-M91 HydrophobicContact CE1-CE 3.85Å; F71-M91 HydrophobicContact CE1-CG 3.49Å; F71-M91 VanDerWaalsContact CE1-CG 3.49Å; F71-M91 HydrophobicContact CE1-SD 4.5Å; F71-M91 HydrophobicContact CE2-CG 4.11Å; F71-M91 HydrophobicContact CG-CE 4.01Å; F71-M91 HydrophobicContact CZ-CB 4.3Å; F71-M91 HydrophobicContact CZ-CE 4.41Å; F71-M91 HydrophobicContact CZ-CG 3.41Å; F71-M91 VanDerWaalsContact CZ-CG 3.41Å; L83-M91 HydrophobicContact CD1-SD 4.22Å; T87-M91 HydrophobicContact CG2-CE 4.04Å; T87-M91 WeakPolarHBondContact O-CG 3.39Å; T87-M91 PolarHBondContact O-N 2.81Å; L88-M91 PolarHBondContact O-N 3.28Å; M91-Q93 VanDerWaalsContact C-N 3.33Å
92	R	92.1	Very high	89	Confident	96 Å²	96	42.4 Å²	42.4	36%	0.362	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-3.1	177.5	-70.4	171.2	177.3	161.8	1.8	113.9	D34 E37 L88 E89 M90	D34-R92 IonicContact OD1-CZ 3.9Å; D34-R92 IonicContact OD1-NH2 3.24Å; D34-R92 PolarHBondContact OD1-NH2 2.89Å; E37-R92 WeakPolarHBondContact OE1-CG 3.43Å; E37-R92 IonicContact OE1-CZ 2.84Å; E37-R92 IonicContact OE1-NE 2.62Å; E37-R92 PolarHBondContact OE1-NE 3.13Å; E37-R92 IonicContact OE1-NH2 3.71Å; E37-R92 IonicContact OE2-CZ 3.48Å; E37-R92 IonicContact OE2-NE 3.14Å; E37-R92 PolarHBondContact OE2-NE 2.81Å; E37-R92 IonicContact OE2-NH2 3.64Å; E37-R92 PolarHBondContact OE2-NH2 3.12Å; L88-R92 WeakPolarHBondContact O-CG 3.08Å; L88-R92 PolarHBondContact O-N 2.99Å; L88-R92 VanDerWaalsContact O-N 3.1Å; E89-R92 PolarHBondContact O-N 3.26Å; M90-R92 PolarHBondContact O-N 2.69Å
93	Q	92.7	Very high	87.6	Confident	85 Å²	85	40.1 Å²	40.1	40%	0.397	22%	0.217	S	C	.	.	S	Bend	trans	-71.4	147.5	175.4	-64.7	-55.5	-54.5	0	0	111.2	E89 M90 M91 I243	E89-Q93 WeakPolarHBondContact O-CG 2.99Å; E89-Q93 PolarHBondContact O-N 3.29Å; E89-Q93 PolarHBondContact O-NE2 2.81Å; E89-Q93 VanDerWaalsContact O-NE2 3.1Å; M90-Q93 WeakPolarHBondContact O-CB 3.41Å; M90-Q93 PolarHBondContact O-N 2.96Å; M90-Q93 VanDerWaalsContact O-N 3.09Å; M90-Q93 HydrophobicContact SD-CG 4.12Å; M91-Q93 VanDerWaalsContact C-N 3.33Å; Q93-I243 HydrophobicContact CB-CG2 3.65Å; Q93-I243 HydrophobicContact CG-CG2 4.4Å
94	P	94.4	Very high	85.9	Confident	28 Å²	28	42.7 Å²	42.7	18%	0.182	23%	0.231	C	C	.	.			trans	-58.1	146.3	173.4	-20	30.2	0	0	0	111.6	H185 L187 Y244	P94-H185 CarbonylContact C-O 3.58Å; P94-H185 VanDerWaalsContact CA-O 3.3Å; P94-H185 WeakPolarHBondContact CA-O 3.35Å; P94-L187 HydrophobicContact CB-CD1 3.87Å; P94-L187 HydrophobicContact CB-CD2 3.79Å; P94-L187 HydrophobicContact CB-CG 3.83Å; P94-Y244 HydrophobicContact CB-CD1 4.37Å; P94-Y244 VanDerWaalsContact O-CB 3.28Å; P94-Y244 WeakPolarHBondContact O-CB 3.47Å; P94-Y244 PolarHBondContact O-N 3.38Å
95	R	94.4	Very high	83.9	Confident	3 Å²	3	47.9 Å²	47.9	1%	0.011	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	174.2	-174.3	62.8	164.1	-73.3	154.4	6.7	113.8	Y41 Y45 L98 D100 H185 L187 P242	Y41-R95 WeakPolarHBondContact OH-CD 3.41Å; Y41-R95 PolarHBondContact OH-NH1 2.9Å; Y45-R95 VanDerWaalsContact CG-CZ 3.48Å; Y45-R95 VanDerWaalsContact CZ-CD 3.44Å; R95-L98 PolarHBondContact NH2-O 3.02Å; R95-D100 IonicContact CZ-OD1 3.66Å; R95-D100 IonicContact CZ-OD2 3.41Å; R95-D100 IonicContact NH1-OD1 3.72Å; R95-D100 IonicContact NH1-OD2 3.26Å; R95-D100 PolarHBondContact NH1-OD2 2.82Å; R95-D100 VanDerWaalsContact NH2-CG 3.32Å; R95-D100 IonicContact NH2-OD1 2.98Å; R95-D100 PolarHBondContact NH2-OD1 3.49Å; R95-D100 IonicContact NH2-OD2 3.55Å; R95-D100 PolarHBondContact NH2-OD2 2.77Å; R95-H185 PolarHBondContact N-O 2.77Å; R95-L187 PolarHBondContact O-N 3.48Å; R95-P242 WeakPolarHBondContact CA-O 3.29Å; R95-P242 WeakPolarHBondContact CB-O 3.45Å
96	C	93.8	Very high	82.1	Confident	6 Å²	6	47.2 Å²	47.2	4%	0.041	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	144.9	166.7	174.2	0	0	0	0	111.1	L98 H222 H232 P242	C96-L98 VanDerWaalsContact C-N 3.32Å; C96-L98 PolarHBondContact O-N 2.99Å; C96-L98 PolarHBondContact SG-N 3.29Å; C96-H222 WeakPolarHBondContact CB-NE2 3.27Å; C96-H232 WeakPolarHBondContact CB-NE2 3.34Å; C96-H232 PolarHBondContact SG-NE2 3.01Å; C96-H232 VanDerWaalsContact SG-NE2 3.36Å; C96-P242 PolarHBondContact N-O 3.35Å
97	G	87.3	Confident	80.4	Confident	23 Å²	23	45.2 Å²	45.2	24%	0.237	24%	0.238	C	C	.	.	S	Bend	trans	-76.5	-11.4	-178.5	0	0	0	0	0	115.4	V186 A188	G97-V186 VanDerWaalsContact CA-CG1 3.44Å; G97-A188 PolarHBondContact N-O 3.04Å
98	L	86.3	Confident	78.8	Confident	25 Å²	25	53.4 Å²	53.4	13%	0.131	27%	0.274	C	S	.	.	S	Bend	trans	-74.7	152.6	-178.8	-86.5	72.4	0	0	0	112.3	R95 C96 M112 H189 A190 H226 H232	R95-L98 PolarHBondContact NH2-O 3.02Å; C96-L98 VanDerWaalsContact C-N 3.32Å; C96-L98 PolarHBondContact O-N 2.99Å; C96-L98 PolarHBondContact SG-N 3.29Å; L98-M112 HydrophobicContact CD2-CE 3.87Å; L98-M112 HydrophobicContact CD2-SD 4.27Å; L98-H189 HydrophobicContact CD1-CB 3.48Å; L98-H189 VanDerWaalsContact CD1-CB 3.48Å; L98-A190 WeakPolarHBondContact CD1-O 3.4Å; L98-H226 HydrophobicContact CD2-CB 4.37Å; L98-H232 PolarHBondContact O-CE1 3.41Å
99	E	86.2	Confident	77.2	Confident	110 Å²	110	55 Å²	55	51%	0.514	28%	0.28	S	S	.	.			trans	-64.9	145.5	169	-70.1	-174.7	-169	0	0	111.9
100	D	84.1	Confident	76	Confident	6 Å²	6	55.3 Å²	55.3	3%	0.032	28%	0.276	C	S	.	.			trans	-86.5	-32.7	-178.9	-66	-20.6	0	0	0	111.6	Y45 Y47 R95 F102 H232 P242	Y45-D100 PolarHBondContact O-N 3.14Å; Y47-D100 HydrophobicContact CE1-CB 4.46Å; Y47-D100 HydrophobicContact CE2-CB 3.88Å; Y47-D100 WeakPolarHBondContact CE2-OD2 3.33Å; Y47-D100 WeakPolarHBondContact OH-CB 3.26Å; Y47-D100 VanDerWaalsContact OH-CG 3.28Å; Y47-D100 PolarHBondContact OH-OD2 2.88Å; R95-D100 IonicContact CZ-OD1 3.66Å; R95-D100 IonicContact CZ-OD2 3.41Å; R95-D100 IonicContact NH1-OD1 3.72Å; R95-D100 IonicContact NH1-OD2 3.26Å; R95-D100 PolarHBondContact NH1-OD2 2.82Å; R95-D100 VanDerWaalsContact NH2-CG 3.32Å; R95-D100 IonicContact NH2-OD1 2.98Å; R95-D100 PolarHBondContact NH2-OD1 3.49Å; R95-D100 IonicContact NH2-OD2 3.55Å; R95-D100 PolarHBondContact NH2-OD2 2.77Å; D100-F102 HydrophobicContact CB-CD2 3.58Å; D100-F102 HydrophobicContact CB-CE2 3.62Å; D100-F102 HydrophobicContact CB-CG 4.45Å; D100-F102 HydrophobicContact CB-CZ 4.5Å; D100-F102 PolarHBondContact O-N 3.47Å; D100-H232 IonicContact OD1-CE1 3.31Å; D100-H232 PolarHBondContact OD1-CE1 3.21Å; D100-H232 VanDerWaalsContact OD1-CE1 3.24Å; D100-H232 IonicContact OD1-CG 2.72Å; D100-H232 IonicContact OD1-ND1 3.61Å; D100-H232 PolarHBondContact OD1-ND1 3.06Å; D100-P242 WeakPolarHBondContact OD1-CB 3.41Å
101	S	68.8	Low	75	Confident	27 Å²	27	58.2 Å²	58.2	19%	0.189	29%	0.291	C	S	.	.			trans	42.3	38.4	-179.3	-45.2	0	0	0	0	114.4	R110	S101-R110 PolarHBondContact OG-NH1 2.7Å
102	F	74.4	Confident	74	Confident	9 Å²	9	61.5 Å²	61.5	4%	0.039	31%	0.307	C	S	.	.			trans	-78.6	128.5	174.6	-64.5	-54.1	0	0	0	110.1	Y47 I70 V74 D100 L107 H232 Q234 P242	Y47-F102 AromaticContact CE1-CD2 3.99Å; Y47-F102 HydrophobicContact CE1-CD2 3.99Å; I70-F102 HydrophobicContact CG2-CB 3.7Å; V74-F102 HydrophobicContact CB-CD2 4.2Å; V74-F102 HydrophobicContact CB-CE2 4.12Å; V74-F102 HydrophobicContact CG1-CD2 3.72Å; V74-F102 HydrophobicContact CG1-CE2 4Å; V74-F102 HydrophobicContact CG1-CG 4.06Å; V74-F102 HydrophobicContact CG2-CD2 3.99Å; V74-F102 HydrophobicContact CG2-CE2 4.06Å; D100-F102 HydrophobicContact CB-CD2 3.58Å; D100-F102 HydrophobicContact CB-CE2 3.62Å; D100-F102 HydrophobicContact CB-CG 4.45Å; D100-F102 HydrophobicContact CB-CZ 4.5Å; D100-F102 PolarHBondContact O-N 3.47Å; F102-L107 HydrophobicContact CB-CD2 3.91Å; F102-L107 HydrophobicContact CD1-CD2 4.23Å; F102-L107 HydrophobicContact CG-CD2 4.25Å; F102-H232 HydrophobicContact CE2-CB 4.49Å; F102-H232 HydrophobicContact CZ-CB 3.86Å; F102-Q234 HydrophobicContact CE1-CB 4.26Å; F102-P242 HydrophobicContact CE2-CG 4.49Å
103	T	61.8	Low	73.3	Confident	57 Å²	57	57.8 Å²	57.8	35%	0.35	30%	0.299	S	S	.	.			trans	-117.3	158.4	168.1	72.5	0	0	0	0	110.1	N105 S106 L107	T103-N105 PolarHBondContact O-N 2.94Å; T103-S106 PolarHBondContact N-OG 3Å; T103-S106 PolarHBondContact O-N 3.2Å; T103-S106 VanDerWaalsContact OG1-CB 3.25Å; T103-S106 WeakPolarHBondContact OG1-CB 3.35Å; T103-S106 PolarHBondContact OG1-N 2.97Å; T103-S106 PolarHBondContact OG1-OG 3.39Å; T103-L107 PolarHBondContact O-N 2.85Å
104	N	55.8	Low	73	Confident	82 Å²	82	59.9 Å²	59.9	44%	0.439	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-27.9	177.3	-88.8	-31.9	0	0	0	113.3	E66	E66-N104 PolarHBondContact OE1-ND2 3.1Å
105	N	47.1	Very low	72.7	Confident	157 Å²	157	59.4 Å²	59.4	84%	0.84	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	-8.5	-179.7	-64.9	-19.2	0	0	0	114.2	T103	T103-N105 PolarHBondContact O-N 2.94Å
106	S	52.2	Low	72.3	Confident	51 Å²	51	69.2 Å²	69.2	36%	0.357	34%	0.335	S	S	.	.			trans	-131	36.3	-170.9	81.8	0	0	0	0	114.3	T103 K108	T103-S106 PolarHBondContact N-OG 3Å; T103-S106 PolarHBondContact O-N 3.2Å; T103-S106 VanDerWaalsContact OG1-CB 3.25Å; T103-S106 WeakPolarHBondContact OG1-CB 3.35Å; T103-S106 PolarHBondContact OG1-N 2.97Å; T103-S106 PolarHBondContact OG1-OG 3.39Å; S106-K108 PolarHBondContact O-N 2.85Å
107	L	55.3	Low	72	Confident	19 Å²	19	73.4 Å²	73.4	10%	0.099	35%	0.353	C	S	.	.			trans	-68.4	7.2	171.3	-58.5	175.8	0	0	0	113.8	K73 V74 F102 T103 Q234	K73-L107 HydrophobicContact CD-CD1 3.91Å; K73-L107 VanDerWaalsContact CE-CD1 3.5Å; V74-L107 HydrophobicContact CG1-CD2 4.17Å; F102-L107 HydrophobicContact CB-CD2 3.91Å; F102-L107 HydrophobicContact CD1-CD2 4.23Å; F102-L107 HydrophobicContact CG-CD2 4.25Å; T103-L107 PolarHBondContact O-N 2.85Å; L107-Q234 HydrophobicContact CB-CB 4.47Å; L107-Q234 VanDerWaalsContact CB-OE1 3.28Å; L107-Q234 WeakPolarHBondContact O-CG 3.31Å; L107-Q234 PolarHBondContact O-NE2 2.99Å
108	K	58.7	Low	72.1	Confident	172 Å²	172	76.9 Å²	76.9	75%	0.748	36%	0.362	S	S	*	.	S	Bend	trans	-69.8	146.5	174.8	-66.8	-179.6	-178.8	174.9	0	109.4	S106 R110	S106-K108 PolarHBondContact O-N 2.85Å; K108-R110 PolarHBondContact O-N 2.78Å
109	Y	58.8	Low	72.5	Confident	42 Å²	42	81 Å²	81	17%	0.165	38%	0.382	C	S	.	.			trans	-52.2	115.1	176.3	-160.5	-86.4	0	0	0	110.9	L230 M240 D256	Y109-L230 HydrophobicContact CE1-CB 3.85Å; Y109-L230 HydrophobicContact CE1-CD2 3.55Å; Y109-L230 HydrophobicContact CE1-CG 4.19Å; Y109-L230 WeakPolarHBondContact OH-CB 3.47Å; Y109-L230 WeakPolarHBondContact OH-CD1 3.19Å; Y109-M240 HydrophobicContact CE2-CB 4.42Å; Y109-M240 VanDerWaalsContact OH-CG 3.25Å; Y109-M240 WeakPolarHBondContact OH-CG 3.28Å; Y109-D256 WeakPolarHBondContact CD2-OD2 3.43Å; Y109-D256 WeakPolarHBondContact CE2-OD2 3.35Å
110	R	67.6	Low	73	Confident	128 Å²	128	75.8 Å²	75.8	48%	0.483	36%	0.357	S	S	.	.			trans	-81	131.8	-176.1	-171.4	177.4	179.3	-171	3	109.5	S101 K108 G231	S101-R110 PolarHBondContact OG-NH1 2.7Å; K108-R110 PolarHBondContact O-N 2.78Å; R110-G231 WeakPolarHBondContact O-CA 3.5Å; R110-G231 PolarHBondContact O-N 3.19Å
111	I	70.9	Confident	73.6	Confident	88 Å²	88	76.2 Å²	76.2	45%	0.451	36%	0.36	S	S	.	.	B	Isolated β-bridge	trans	-99.7	127.8	168.3	-70.7	165	0	0	0	107.2	L264	I111-L264 HydrophobicContact CB-CD2 4.31Å; I111-L264 HydrophobicContact CD1-CD2 3.68Å; I111-L264 HydrophobicContact CD1-CG 4.43Å; I111-L264 HydrophobicContact CG1-CD2 3.89Å; I111-L264 HydrophobicContact CG1-CG 4.47Å; I111-L264 HydrophobicContact CG2-CD2 3.48Å; I111-L264 VanDerWaalsContact CG2-CD2 3.48Å
112	M	71.1	Confident	75	Confident	77 Å²	77	75.4 Å²	75.4	38%	0.379	35%	0.353	S	S	.	.			trans	-98.6	-19.9	-177.9	-62.1	175.2	68.4	0	0	112.8	L98 A192 G229	L98-M112 HydrophobicContact CD2-CE 3.87Å; L98-M112 HydrophobicContact CD2-SD 4.27Å; M112-A192 HydrophobicContact CB-CB 3.72Å; M112-A192 HydrophobicContact CE-CB 4.13Å; M112-G229 PolarHBondContact N-O 3.26Å
113	G	78.4	Confident	76	Confident	18 Å²	18	78 Å²	78	19%	0.186	36%	0.362	C	S	.	.			trans	169.1	-175.4	-179.1	0	0	0	0	0	111.5	G229	G113-G229 WeakPolarHBondContact O-CA 3.47Å
114	Y	86.6	Confident	77.8	Confident	130 Å²	130	75.7 Å²	75.7	51%	0.51	35%	0.348	S	S	.	.			trans	-155.4	153.1	171.2	70.5	-80.3	0	0	0	111.6	R116 Y265	Y114-R116 HydrophobicContact CE2-CG 4.23Å; Y114-Y265 WeakPolarHBondContact CA-OH 3.47Å
115	W	86.4	Confident	79.6	Confident	18 Å²	18	76.5 Å²	76.5	7%	0.068	35%	0.345	C	S	.	.			trans	-83.1	133.9	169.8	-64.6	99.2	0	0	0	111	K117 L120 D164 I165 P193 E194 A227 Y265	W115-K117 PolarHBondContact O-N 3.18Å; W115-L120 HydrophobicContact CB-CD1 4.3Å; W115-L120 HydrophobicContact CB-CD2 3.81Å; W115-L120 HydrophobicContact CD2-CD2 3.76Å; W115-L120 HydrophobicContact CE3-CD2 4.17Å; W115-L120 HydrophobicContact CG-CD1 3.9Å; W115-L120 HydrophobicContact CG-CD2 3.61Å; W115-L120 HydrophobicContact CG-CG 4.41Å; W115-D164 HydrophobicContact CH2-CB 3.99Å; W115-D164 HydrophobicContact CZ2-CB 4.34Å; W115-D164 HydrophobicContact CZ3-CB 4.24Å; W115-I165 HydrophobicContact CZ2-CG1 4.43Å; W115-P193 HydrophobicContact CD2-CB 4.01Å; W115-P193 HydrophobicContact CD2-CG 4.45Å; W115-P193 HydrophobicContact CG-CB 4.16Å; W115-P193 HydrophobicContact CG-CG 4.26Å; W115-P193 HydrophobicContact CZ2-CB 4.32Å; W115-E194 HydrophobicContact CE3-CB 4.36Å; W115-E194 HydrophobicContact CE3-CG 4.23Å; W115-E194 VanDerWaalsContact CH2-C 3.5Å; W115-E194 HydrophobicContact CH2-CB 4.18Å; W115-E194 WeakPolarHBondContact CH2-O 3.34Å; W115-E194 HydrophobicContact CZ3-CB 3.81Å; W115-E194 HydrophobicContact CZ3-CG 4.17Å; W115-A227 PolarHBondContact NE1-O 2.77Å; W115-Y265 HydrophobicContact CB-CE1 4.19Å; W115-Y265 PolarHBondContact N-OH 2.93Å; W115-Y265 WeakPolarHBondContact O-CE1 3.37Å
116	R	86.4	Confident	81.9	Confident	209 Å²	209	72 Å²	72	79%	0.789	32%	0.321	S	S	*	.	S	Bend	trans	-69.5	-23	176.5	-61.8	-176.3	-177.4	-155.9	-0.8	113.6	Y114	Y114-R116 HydrophobicContact CE2-CG 4.23Å
117	K	87.4	Confident	84	Confident	93 Å²	93	72.6 Å²	72.6	40%	0.404	32%	0.316	S	S	.	.			trans	-103.6	146.7	-179.7	61.7	178	172.8	173.3	0	111.3	W115 M119 L120 D164	W115-K117 PolarHBondContact O-N 3.18Å; K117-M119 WeakPolarHBondContact CD-O 3.5Å; K117-L120 HydrophobicContact CD-CD2 4.32Å; K117-L120 HydrophobicContact CG-CD2 3.8Å; K117-D164 WeakPolarHBondContact CE-OD1 3.31Å; K117-D164 VanDerWaalsContact CE-OD2 3.23Å; K117-D164 WeakPolarHBondContact CE-OD2 3.49Å; K117-D164 IonicContact NZ-OD1 2.77Å; K117-D164 PolarHBondContact NZ-OD1 3.33Å; K117-D164 IonicContact NZ-OD2 3.85Å; K117-D164 PolarHBondContact NZ-OD2 2.97Å
118	K	90	Very high	86	Confident	97 Å²	97	71.7 Å²	71.7	42%	0.422	31%	0.312	S	S	.	.	S	Bend	trans	-90.7	-23.2	178.9	-62.5	179.7	177.3	-167.8	0	114	S152 L153 K154 E269	K118-S152 VanDerWaalsContact CD-OG 3.26Å; K118-S152 WeakPolarHBondContact CD-OG 3.37Å; K118-S152 VanDerWaalsContact CE-OG 3.29Å; K118-S152 WeakPolarHBondContact CE-OG 3.4Å; K118-S152 PolarHBondContact NZ-OG 2.71Å; K118-L153 HydrophobicContact CB-CD2 4.48Å; K118-L153 CarbonylContact O-C 3.46Å; K118-L153 WeakPolarHBondContact O-CA 3.44Å; K118-K154 PolarHBondContact O-N 3.38Å; K118-E269 IonicContact NZ-OE1 3.23Å; K118-E269 PolarHBondContact NZ-OE1 3.43Å
119	M	94.3	Very high	87.8	Confident	112 Å²	112	68.5 Å²	68.5	55%	0.552	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.1	104.5	173.2	-175.3	179.1	-72.1	0	0	108.9	K117 K154	K117-M119 WeakPolarHBondContact CD-O 3.5Å; M119-K154 WeakPolarHBondContact CA-O 3.33Å
120	L	96.6	Very high	89.7	Confident	0 Å²	0	70 Å²	70	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	144.1	179.3	-63	174.6	0	0	0	110.4	W115 K117 L153 K154 F155 R156 D164 I165 L228	W115-L120 HydrophobicContact CB-CD1 4.3Å; W115-L120 HydrophobicContact CB-CD2 3.81Å; W115-L120 HydrophobicContact CD2-CD2 3.76Å; W115-L120 HydrophobicContact CE3-CD2 4.17Å; W115-L120 HydrophobicContact CG-CD1 3.9Å; W115-L120 HydrophobicContact CG-CD2 3.61Å; W115-L120 HydrophobicContact CG-CG 4.41Å; K117-L120 HydrophobicContact CD-CD2 4.32Å; K117-L120 HydrophobicContact CG-CD2 3.8Å; L120-L153 HydrophobicContact CD1-CD2 4.17Å; L120-K154 PolarHBondContact N-O 2.89Å; L120-F155 HydrophobicContact CB-CD1 3.88Å; L120-F155 HydrophobicContact CB-CE1 3.99Å; L120-F155 HydrophobicContact CD1-CE1 3.86Å; L120-F155 HydrophobicContact CG-CE1 4.47Å; L120-F155 CarbonylContact O-C 3.59Å; L120-F155 VanDerWaalsContact O-CA 3.29Å; L120-F155 WeakPolarHBondContact O-CA 3.47Å; L120-R156 PolarHBondContact O-N 3.28Å; L120-D164 HydrophobicContact CD2-CB 4.3Å; L120-I165 HydrophobicContact CD1-CD1 4.44Å; L120-L228 HydrophobicContact CD1-CD2 3.53Å
121	T	96.3	Very high	91.1	Very high	14 Å²	14	65.2 Å²	65.2	9%	0.086	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	141.9	174.5	54.5	0	0	0	0	109.9	R156 L158 D164 I165	T121-R156 CarbonylContact C-O 3.55Å; T121-R156 VanDerWaalsContact CA-O 3.25Å; T121-R156 WeakPolarHBondContact CA-O 3.34Å; T121-L158 HydrophobicContact CG2-CD1 3.92Å; T121-L158 HydrophobicContact CG2-CD2 4.27Å; T121-L158 HydrophobicContact CG2-CG 4.08Å; T121-D164 PolarHBondContact N-OD2 3.47Å; T121-D164 WeakPolarHBondContact O-CB 3.48Å; T121-D164 PolarHBondContact O-N 2.9Å; T121-D164 PolarHBondContact OG1-N 3.41Å; T121-D164 VanDerWaalsContact OG1-N 3.15Å; T121-D164 PolarHBondContact OG1-OD2 2.76Å; T121-I165 PolarHBondContact O-N 3.22Å
122	Y	98.3	Very high	92.3	Very high	11 Å²	11	62.4 Å²	62.4	4%	0.043	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	152.8	172	74.6	-89.7	0	0	0	111.3	I124 I140 Q141 F144 F155 R156 E157 L158 I165 I167	Y122-I124 HydrophobicContact CD2-CG1 4.42Å; Y122-I124 HydrophobicContact CE2-CD1 4.33Å; Y122-I124 HydrophobicContact CE2-CG1 4.32Å; Y122-I140 HydrophobicContact CD2-CG2 4.47Å; Y122-I140 HydrophobicContact CE2-CG2 4.1Å; Y122-Q141 WeakPolarHBondContact OH-CG 3.43Å; Y122-F144 HydrophobicContact CD1-CD1 4.5Å; Y122-F144 AromaticContact CD1-CD2 3.78Å; Y122-F144 HydrophobicContact CD1-CD2 3.78Å; Y122-F144 HydrophobicContact CD1-CE1 4.26Å; Y122-F144 AromaticContact CD1-CE2 3.5Å; Y122-F144 HydrophobicContact CD1-CE2 3.5Å; Y122-F144 HydrophobicContact CD1-CG 4.28Å; Y122-F144 AromaticContact CD1-CZ 3.77Å; Y122-F144 HydrophobicContact CD1-CZ 3.77Å; Y122-F144 HydrophobicContact CD2-CD2 4.17Å; Y122-F144 AromaticContact CD2-CE2 3.44Å; Y122-F144 HydrophobicContact CD2-CE2 3.44Å; Y122-F144 VanDerWaalsContact CD2-CE2 3.44Å; Y122-F144 HydrophobicContact CD2-CZ 4.07Å; Y122-F144 AromaticContact CE1-CD2 3.67Å; Y122-F144 HydrophobicContact CE1-CD2 3.67Å; Y122-F144 AromaticContact CE1-CE2 3.83Å; Y122-F144 HydrophobicContact CE1-CE2 3.83Å; Y122-F144 HydrophobicContact CE1-CG 4.23Å; Y122-F144 HydrophobicContact CE1-CZ 4.49Å; Y122-F144 HydrophobicContact CE2-CD2 4.09Å; Y122-F144 AromaticContact CE2-CE2 3.8Å; Y122-F144 HydrophobicContact CE2-CE2 3.8Å; Y122-F144 HydrophobicContact CG-CD2 4.03Å; Y122-F144 HydrophobicContact CG-CE1 4.39Å; Y122-F144 AromaticContact CG-CE2 3.29Å; Y122-F144 HydrophobicContact CG-CE2 3.29Å; Y122-F144 AromaticContact CG-CZ 3.51Å; Y122-F144 HydrophobicContact CG-CZ 3.51Å; Y122-F144 AromaticContact CZ-CD2 3.84Å; Y122-F144 AromaticContact CZ-CE2 3.97Å; Y122-F155 HydrophobicContact CD1-CB 4.19Å; Y122-F155 HydrophobicContact CE1-CB 4.23Å; Y122-R156 PolarHBondContact N-O 2.9Å; Y122-E157 HydrophobicContact CD2-CG 4.18Å; Y122-E157 HydrophobicContact CE1-CB 3.91Å; Y122-E157 HydrophobicContact CE1-CG 4.49Å; Y122-E157 HydrophobicContact CE2-CB 3.86Å; Y122-E157 HydrophobicContact CE2-CG 3.52Å; Y122-E157 VanDerWaalsContact CZ-CB 3.49Å; Y122-E157 CarbonylContact O-C 3.56Å; Y122-E157 WeakPolarHBondContact O-CA 3.42Å; Y122-E157 WeakPolarHBondContact OH-CB 3.35Å; Y122-E157 PolarHBondContact OH-OE2 3.17Å; Y122-L158 PolarHBondContact O-N 3.25Å; Y122-I165 CarbonylContact C-O 3.5Å; Y122-I165 WeakPolarHBondContact CA-O 3.24Å; Y122-I167 HydrophobicContact CD2-CD1 4.16Å
123	R	97.1	Very high	93.5	Very high	63 Å²	63	61.3 Å²	61.3	24%	0.238	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	134.2	176	178.3	171.8	179.2	-157.8	-5.6	110.5	Y125 L158 G161 A163 I165 I167	R123-Y125 HydrophobicContact CB-CD2 4.41Å; R123-Y125 HydrophobicContact CB-CE2 3.93Å; R123-Y125 HydrophobicContact CG-CD2 4.06Å; R123-Y125 HydrophobicContact CG-CE2 3.85Å; R123-L158 WeakPolarHBondContact CG-O 3.41Å; R123-G161 WeakPolarHBondContact CD-O 3.41Å; R123-G161 PolarHBondContact NH1-O 3.08Å; R123-A163 HydrophobicContact CB-CB 3.64Å; R123-I165 PolarHBondContact N-O 3.06Å; R123-I167 PolarHBondContact O-N 3.42Å
124	I	97.8	Very high	94.4	Very high	9 Å²	9	65 Å²	65	5%	0.046	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	115.6	171.9	-54	166.6	0	0	0	107.5	Y122 N126 Y127 R137 I140 I167	Y122-I124 HydrophobicContact CD2-CG1 4.42Å; Y122-I124 HydrophobicContact CE2-CD1 4.33Å; Y122-I124 HydrophobicContact CE2-CG1 4.32Å; I124-N126 WeakPolarHBondContact CG2-O 3.49Å; I124-Y127 HydrophobicContact CB-CE1 4.07Å; I124-Y127 HydrophobicContact CD1-CE1 4.06Å; I124-Y127 HydrophobicContact CG2-CD1 3.83Å; I124-Y127 HydrophobicContact CG2-CE1 3.51Å; I124-Y127 HydrophobicContact CG2-CE2 4.2Å; I124-Y127 HydrophobicContact CG2-CG 4.31Å; I124-R137 HydrophobicContact CD1-CB 4.28Å; I124-R137 HydrophobicContact CD1-CG 4.22Å; I124-I140 HydrophobicContact CD1-CB 4.19Å; I124-I140 HydrophobicContact CD1-CD1 3.69Å; I124-I140 HydrophobicContact CD1-CG2 4.07Å; I124-I140 HydrophobicContact CG1-CD1 3.94Å; I124-I140 HydrophobicContact CG1-CG2 4.35Å; I124-I140 HydrophobicContact CG2-CD1 4.39Å; I124-I167 WeakPolarHBondContact CA-O 3.49Å; I124-I167 HydrophobicContact CG1-CB 4.43Å
125	Y	94.7	Very high	94.9	Very high	98 Å²	98	64.8 Å²	64.8	38%	0.384	32%	0.323	S	S	.	.			trans	-86.6	-35.2	-173.4	-77.8	-98.8	0	0	0	112.9	R123 K166 I167	R123-Y125 HydrophobicContact CB-CD2 4.41Å; R123-Y125 HydrophobicContact CB-CE2 3.93Å; R123-Y125 HydrophobicContact CG-CD2 4.06Å; R123-Y125 HydrophobicContact CG-CE2 3.85Å; Y125-K166 HydrophobicContact CD2-CB 4.44Å; Y125-K166 HydrophobicContact CE2-CB 3.84Å; Y125-K166 HydrophobicContact CE2-CG 4.06Å; Y125-I167 PolarHBondContact N-O 3Å
126	N	95.5	Very high	95.5	Very high	62 Å²	62	63.9 Å²	63.9	33%	0.332	32%	0.32	S	S	.	.			trans	-145.6	171.1	173	63.6	-16.9	0	0	0	109.7	I124 S168 F169	I124-N126 WeakPolarHBondContact CG2-O 3.49Å; N126-S168 WeakPolarHBondContact OD1-CA 3.29Å; N126-S168 VanDerWaalsContact OD1-CB 3.25Å; N126-S168 WeakPolarHBondContact OD1-CB 3.21Å; N126-F169 PolarHBondContact ND2-O 2.93Å; N126-F169 WeakPolarHBondContact O-CD2 3.26Å; N126-F169 PolarHBondContact OD1-N 2.95Å
127	Y	96.9	Very high	96.1	Very high	64 Å²	64	57.8 Å²	57.8	25%	0.251	30%	0.297	S	S	.	.			trans	-134	141.4	-172.8	-58.3	-97	0	0	0	109.8	I124 A133 T136 R137	I124-Y127 HydrophobicContact CB-CE1 4.07Å; I124-Y127 HydrophobicContact CD1-CE1 4.06Å; I124-Y127 HydrophobicContact CG2-CD1 3.83Å; I124-Y127 HydrophobicContact CG2-CE1 3.51Å; I124-Y127 HydrophobicContact CG2-CE2 4.2Å; I124-Y127 HydrophobicContact CG2-CG 4.31Å; Y127-A133 HydrophobicContact CD1-CB 3.94Å; Y127-A133 HydrophobicContact CD2-CB 4.11Å; Y127-A133 HydrophobicContact CE1-CB 4.31Å; Y127-A133 HydrophobicContact CG-CB 3.84Å; Y127-T136 HydrophobicContact CD1-CG2 3.72Å; Y127-T136 HydrophobicContact CG-CG2 4.42Å; Y127-R137 HydrophobicContact CE1-CB 4.18Å; Y127-R137 PolarHBondContact OH-NH2 3.36Å
128	T	96.4	Very high	96.6	Very high	1 Å²	1	59 Å²	59	1%	0.006	30%	0.304	C	S	.	.			trans	-63.6	132.6	172.3	174.8	0	0	0	0	112.1	D130 L131 G132 T136 F169 E202 W206 L216	T128-D130 VanDerWaalsContact C-N 3.26Å; T128-D130 PolarHBondContact O-N 3.11Å; T128-D130 PolarHBondContact OG1-N 3.4Å; T128-L131 HydrophobicContact CG2-CB 4.26Å; T128-L131 HydrophobicContact CG2-CD1 4.43Å; T128-L131 HydrophobicContact CG2-CG 4.43Å; T128-G132 PolarHBondContact O-N 3.21Å; T128-G132 VanDerWaalsContact O-N 3.12Å; T128-T136 HydrophobicContact CG2-CG2 4.18Å; T128-T136 VanDerWaalsContact CG2-OG1 3.32Å; T128-T136 WeakPolarHBondContact CG2-OG1 3.45Å; T128-F169 HydrophobicContact CG2-CD1 4.39Å; T128-F169 HydrophobicContact CG2-CE1 3.89Å; T128-F169 HydrophobicContact CG2-CZ 4.19Å; T128-E202 WeakPolarHBondContact CA-OE1 3.26Å; T128-E202 WeakPolarHBondContact CA-OE2 3.18Å; T128-E202 WeakPolarHBondContact CB-OE1 3.22Å; T128-E202 VanDerWaalsContact CB-OE2 3.31Å; T128-E202 WeakPolarHBondContact CB-OE2 3.3Å; T128-E202 PolarHBondContact OG1-OE1 2.98Å; T128-W206 HydrophobicContact CG2-CB 4.03Å; T128-W206 HydrophobicContact CG2-CG 4.22Å; T128-L216 HydrophobicContact CG2-CD2 4.4Å
129	P	96.9	Very high	97	Very high	104 Å²	104	54.5 Å²	54.5	68%	0.675	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-24.5	174.5	27.7	-34.8	0	0	0	113.1	L131 G132 E202	P129-L131 PolarHBondContact O-N 2.83Å; P129-G132 PolarHBondContact O-N 2.85Å; P129-E202 WeakPolarHBondContact CD-OE1 3.41Å
130	D	97.4	Very high	97.2	Very high	74 Å²	74	49.2 Å²	49.2	40%	0.396	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-36.8	-177.4	-73	-16	0	0	0	113.1	T128 L205 W206	T128-D130 VanDerWaalsContact C-N 3.26Å; T128-D130 PolarHBondContact O-N 3.11Å; T128-D130 PolarHBondContact OG1-N 3.4Å; D130-L205 WeakPolarHBondContact OD2-CA 3.26Å; D130-W206 HydrophobicContact CB-CB 4.21Å; D130-W206 WeakPolarHBondContact CB-O 3.49Å; D130-W206 PolarHBondContact OD2-N 2.8Å
131	L	96.7	Very high	97.2	Very high	28 Å²	28	53.3 Å²	53.3	15%	0.147	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-25.7	179.6	-64.8	178.7	0	0	0	112.5	T128 P129 K135 W206 E208 L216	T128-L131 HydrophobicContact CG2-CB 4.26Å; T128-L131 HydrophobicContact CG2-CD1 4.43Å; T128-L131 HydrophobicContact CG2-CG 4.43Å; P129-L131 PolarHBondContact O-N 2.83Å; L131-K135 HydrophobicContact CB-CB 3.94Å; L131-K135 WeakPolarHBondContact O-CB 3.15Å; L131-W206 HydrophobicContact CD1-CB 4.34Å; L131-W206 HydrophobicContact CG-CB 4.48Å; L131-E208 HydrophobicContact CD1-CB 4.41Å; L131-E208 HydrophobicContact CD2-CB 4.16Å; L131-L216 HydrophobicContact CD1-CB 3.99Å; L131-L216 HydrophobicContact CD1-CD2 3.78Å
132	G	97.3	Very high	97.3	Very high	28 Å²	28	54.6 Å²	54.6	29%	0.289	29%	0.286	S	S	.	.	H	α-helix	trans	72.7	162	-169.3	0	0	0	0	0	112.9	T128 P129 S134 K135 T136	T128-G132 PolarHBondContact O-N 3.21Å; T128-G132 VanDerWaalsContact O-N 3.12Å; P129-G132 PolarHBondContact O-N 2.85Å; G132-S134 VanDerWaalsContact C-N 3.31Å; G132-S134 PolarHBondContact O-N 3.42Å; G132-S134 VanDerWaalsContact O-N 3.13Å; G132-K135 PolarHBondContact O-N 3.04Å; G132-T136 WeakPolarHBondContact O-CB 3.21Å; G132-T136 PolarHBondContact O-N 2.55Å; G132-T136 VanDerWaalsContact O-N 3.09Å; G132-T136 PolarHBondContact O-OG1 3.32Å
133	A	96.8	Very high	97.3	Very high	54 Å²	54	54.1 Å²	54.1	45%	0.446	28%	0.284	S	S	.	.	H	α-helix	trans	-54.7	-41	-168	0	0	0	0	0	114.6	Y127 R137	Y127-A133 HydrophobicContact CD1-CB 3.94Å; Y127-A133 HydrophobicContact CD2-CB 4.11Å; Y127-A133 HydrophobicContact CE1-CB 4.31Å; Y127-A133 HydrophobicContact CG-CB 3.84Å; A133-R137 VanDerWaalsContact O-CB 3.29Å; A133-R137 WeakPolarHBondContact O-CB 3.4Å; A133-R137 PolarHBondContact O-N 3.12Å
134	S	97.2	Very high	97.3	Very high	97 Å²	97	51.3 Å²	51.3	68%	0.678	27%	0.274	S	S	*	.	H	α-helix	trans	-65.6	-47.6	-177.1	-172.8	0	0	0	0	112.8	G132 Q138	G132-S134 VanDerWaalsContact C-N 3.31Å; G132-S134 PolarHBondContact O-N 3.42Å; G132-S134 VanDerWaalsContact O-N 3.13Å; S134-Q138 WeakPolarHBondContact O-CB 3.34Å; S134-Q138 PolarHBondContact O-N 3.24Å
135	K	97.5	Very high	97.3	Very high	124 Å²	124	56.8 Å²	56.8	54%	0.539	30%	0.297	S	S	.	.	H	α-helix	trans	-73.3	-38.5	-177.8	-73.1	-179.9	-178.8	172	0	111.2	L131 G132 Q138 A139	L131-K135 HydrophobicContact CB-CB 3.94Å; L131-K135 WeakPolarHBondContact O-CB 3.15Å; G132-K135 PolarHBondContact O-N 3.04Å; K135-Q138 PolarHBondContact O-N 2.86Å; K135-A139 WeakPolarHBondContact O-CB 3.22Å; K135-A139 PolarHBondContact O-N 3.04Å
136	T	98.3	Very high	97.4	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-57.4	-49.8	172.6	-59.9	0	0	0	0	111.1	Y127 T128 G132 Q138 A139 I140 F169 L216	Y127-T136 HydrophobicContact CD1-CG2 3.72Å; Y127-T136 HydrophobicContact CG-CG2 4.42Å; T128-T136 HydrophobicContact CG2-CG2 4.18Å; T128-T136 VanDerWaalsContact CG2-OG1 3.32Å; T128-T136 WeakPolarHBondContact CG2-OG1 3.45Å; G132-T136 WeakPolarHBondContact O-CB 3.21Å; G132-T136 PolarHBondContact O-N 2.55Å; G132-T136 VanDerWaalsContact O-N 3.09Å; G132-T136 PolarHBondContact O-OG1 3.32Å; T136-Q138 PolarHBondContact O-N 3.32Å; T136-A139 PolarHBondContact O-N 3.18Å; T136-I140 HydrophobicContact CG2-CD1 4.06Å; T136-I140 WeakPolarHBondContact O-CG1 3.22Å; T136-I140 PolarHBondContact O-N 2.83Å; T136-I140 VanDerWaalsContact O-N 3.11Å; T136-F169 HydrophobicContact CG2-CE2 3.79Å; T136-F169 HydrophobicContact CG2-CZ 3.64Å; T136-L216 HydrophobicContact CG2-CD2 3.83Å
137	R	98.2	Very high	97.5	Very high	81 Å²	81	50.9 Å²	50.9	31%	0.306	27%	0.27	S	S	.	.	H	α-helix	trans	-58.9	-45.3	175.7	-178.6	178.1	-78.3	163.3	5.1	111.9	I124 Y127 A133 A139 I140 Q141 E157	I124-R137 HydrophobicContact CD1-CB 4.28Å; I124-R137 HydrophobicContact CD1-CG 4.22Å; Y127-R137 HydrophobicContact CE1-CB 4.18Å; Y127-R137 PolarHBondContact OH-NH2 3.36Å; A133-R137 VanDerWaalsContact O-CB 3.29Å; A133-R137 WeakPolarHBondContact O-CB 3.4Å; A133-R137 PolarHBondContact O-N 3.12Å; R137-A139 PolarHBondContact O-N 2.89Å; R137-I140 PolarHBondContact O-N 2.95Å; R137-Q141 HydrophobicContact CG-CG 4.3Å; R137-Q141 WeakPolarHBondContact O-CB 3.5Å; R137-Q141 VanDerWaalsContact O-CG 3.29Å; R137-Q141 WeakPolarHBondContact O-CG 3.24Å; R137-Q141 PolarHBondContact O-N 2.84Å; R137-E157 IonicContact CZ-OE1 3.57Å; R137-E157 IonicContact NE-OE1 2.88Å; R137-E157 PolarHBondContact NE-OE1 3.27Å; R137-E157 IonicContact NE-OE2 3.49Å; R137-E157 IonicContact NH2-OE1 3.92Å
138	Q	98	Very high	97.5	Very high	119 Å²	119	49 Å²	49	56%	0.556	27%	0.266	S	S	*	.	H	α-helix	trans	-63.3	-40.6	-180	-172.6	179	21.7	0	0	112.6	S134 K135 T136 T142	S134-Q138 WeakPolarHBondContact O-CB 3.34Å; S134-Q138 PolarHBondContact O-N 3.24Å; K135-Q138 PolarHBondContact O-N 2.86Å; T136-Q138 PolarHBondContact O-N 3.32Å; Q138-T142 WeakPolarHBondContact O-CB 3.5Å; Q138-T142 PolarHBondContact O-N 2.84Å; Q138-T142 PolarHBondContact O-OG1 3.34Å
139	A	97.8	Very high	97.5	Very high	2 Å²	2	53.5 Å²	53.5	2%	0.017	29%	0.29	C	S	.	.	H	α-helix	trans	-61.4	-48.3	176.4	0	0	0	0	0	111.1	K135 T136 R137 T142 A143 L216 R217	K135-A139 WeakPolarHBondContact O-CB 3.22Å; K135-A139 PolarHBondContact O-N 3.04Å; T136-A139 PolarHBondContact O-N 3.18Å; R137-A139 PolarHBondContact O-N 2.89Å; A139-T142 PolarHBondContact O-N 2.5Å; A139-A143 PolarHBondContact O-N 3.32Å; A139-L216 HydrophobicContact CB-CB 4.39Å; A139-L216 HydrophobicContact CB-CD2 4.06Å; A139-L216 HydrophobicContact CB-CG 4.19Å; A139-R217 HydrophobicContact CB-CB 4.09Å
140	I	98.4	Very high	97.4	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-64.2	-44.2	178.4	-68.7	166.9	0	0	0	111.5	Y122 I124 T136 R137 T142 A143 F144 I167 F169 A220	Y122-I140 HydrophobicContact CD2-CG2 4.47Å; Y122-I140 HydrophobicContact CE2-CG2 4.1Å; I124-I140 HydrophobicContact CD1-CB 4.19Å; I124-I140 HydrophobicContact CD1-CD1 3.69Å; I124-I140 HydrophobicContact CD1-CG2 4.07Å; I124-I140 HydrophobicContact CG1-CD1 3.94Å; I124-I140 HydrophobicContact CG1-CG2 4.35Å; I124-I140 HydrophobicContact CG2-CD1 4.39Å; T136-I140 HydrophobicContact CG2-CD1 4.06Å; T136-I140 WeakPolarHBondContact O-CG1 3.22Å; T136-I140 PolarHBondContact O-N 2.83Å; T136-I140 VanDerWaalsContact O-N 3.11Å; R137-I140 PolarHBondContact O-N 2.95Å; I140-T142 VanDerWaalsContact C-N 3.27Å; I140-T142 PolarHBondContact O-N 2.89Å; I140-A143 WeakPolarHBondContact O-CB 3.15Å; I140-A143 PolarHBondContact O-N 3.32Å; I140-A143 VanDerWaalsContact O-N 3.14Å; I140-F144 HydrophobicContact CG2-CD2 3.91Å; I140-F144 HydrophobicContact CG2-CE2 3.72Å; I140-F144 WeakPolarHBondContact O-CD2 3.44Å; I140-F144 PolarHBondContact O-N 3.35Å; I140-I167 HydrophobicContact CD1-CG2 3.91Å; I140-I167 HydrophobicContact CG2-CD1 3.6Å; I140-F169 HydrophobicContact CD1-CZ 4.46Å; I140-A220 HydrophobicContact CG1-CB 4.46Å
141	Q	98.1	Very high	97.2	Very high	85 Å²	85	46.4 Å²	46.4	40%	0.397	25%	0.247	S	C	.	.	H	α-helix	trans	-58.2	-41.3	174.8	-79.4	174.3	-6.4	0	0	111.9	Y122 R137 F144 K145 E157	Y122-Q141 WeakPolarHBondContact OH-CG 3.43Å; R137-Q141 HydrophobicContact CG-CG 4.3Å; R137-Q141 WeakPolarHBondContact O-CB 3.5Å; R137-Q141 VanDerWaalsContact O-CG 3.29Å; R137-Q141 WeakPolarHBondContact O-CG 3.24Å; R137-Q141 PolarHBondContact O-N 2.84Å; Q141-F144 PolarHBondContact O-N 3.01Å; Q141-K145 PolarHBondContact O-N 3.36Å; Q141-E157 PolarHBondContact NE2-OE2 2.78Å
142	T	97.1	Very high	97.2	Very high	42 Å²	42	45.2 Å²	45.2	26%	0.258	24%	0.241	S	C	.	.	H	α-helix	trans	-68	-37.6	177.4	-53.3	0	0	0	0	111.4	Q138 A139 I140 K145 Y146 R217	Q138-T142 WeakPolarHBondContact O-CB 3.5Å; Q138-T142 PolarHBondContact O-N 2.84Å; Q138-T142 PolarHBondContact O-OG1 3.34Å; A139-T142 PolarHBondContact O-N 2.5Å; I140-T142 VanDerWaalsContact C-N 3.27Å; I140-T142 PolarHBondContact O-N 2.89Å; T142-K145 VanDerWaalsContact O-CB 3.3Å; T142-K145 WeakPolarHBondContact O-CB 3.31Å; T142-K145 PolarHBondContact O-N 3.48Å; T142-K145 VanDerWaalsContact O-N 3.13Å; T142-Y146 HydrophobicContact CG2-CE1 4.41Å; T142-Y146 PolarHBondContact O-N 3.3Å; T142-R217 HydrophobicContact CG2-CG 4.3Å
143	A	98.1	Very high	97.1	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-60.7	-47.1	174.7	0	0	0	0	0	112.3	A139 I140 K145 Y146 A220 A221 I224	A139-A143 PolarHBondContact O-N 3.32Å; I140-A143 WeakPolarHBondContact O-CB 3.15Å; I140-A143 PolarHBondContact O-N 3.32Å; I140-A143 VanDerWaalsContact O-N 3.14Å; A143-K145 PolarHBondContact O-N 3.43Å; A143-Y146 WeakPolarHBondContact O-CB 3.38Å; A143-Y146 PolarHBondContact O-N 2.67Å; A143-A220 HydrophobicContact CB-CB 3.94Å; A143-A221 HydrophobicContact CB-CB 3.92Å; A143-I224 HydrophobicContact CB-CD1 3.81Å
144	F	98.4	Very high	97.1	Very high	5 Å²	5	45.5 Å²	45.5	2%	0.022	22%	0.224	C	C	.	.	H	α-helix	trans	-59.8	-34.9	172	-81.7	-68.3	0	0	0	112.8	Y122 I140 Q141 Y146 W147 S148 F155 I165 I167 I224	Y122-F144 HydrophobicContact CD1-CD1 4.5Å; Y122-F144 AromaticContact CD1-CD2 3.78Å; Y122-F144 HydrophobicContact CD1-CD2 3.78Å; Y122-F144 HydrophobicContact CD1-CE1 4.26Å; Y122-F144 AromaticContact CD1-CE2 3.5Å; Y122-F144 HydrophobicContact CD1-CE2 3.5Å; Y122-F144 HydrophobicContact CD1-CG 4.28Å; Y122-F144 AromaticContact CD1-CZ 3.77Å; Y122-F144 HydrophobicContact CD1-CZ 3.77Å; Y122-F144 HydrophobicContact CD2-CD2 4.17Å; Y122-F144 AromaticContact CD2-CE2 3.44Å; Y122-F144 HydrophobicContact CD2-CE2 3.44Å; Y122-F144 VanDerWaalsContact CD2-CE2 3.44Å; Y122-F144 HydrophobicContact CD2-CZ 4.07Å; Y122-F144 AromaticContact CE1-CD2 3.67Å; Y122-F144 HydrophobicContact CE1-CD2 3.67Å; Y122-F144 AromaticContact CE1-CE2 3.83Å; Y122-F144 HydrophobicContact CE1-CE2 3.83Å; Y122-F144 HydrophobicContact CE1-CG 4.23Å; Y122-F144 HydrophobicContact CE1-CZ 4.49Å; Y122-F144 HydrophobicContact CE2-CD2 4.09Å; Y122-F144 AromaticContact CE2-CE2 3.8Å; Y122-F144 HydrophobicContact CE2-CE2 3.8Å; Y122-F144 HydrophobicContact CG-CD2 4.03Å; Y122-F144 HydrophobicContact CG-CE1 4.39Å; Y122-F144 AromaticContact CG-CE2 3.29Å; Y122-F144 HydrophobicContact CG-CE2 3.29Å; Y122-F144 AromaticContact CG-CZ 3.51Å; Y122-F144 HydrophobicContact CG-CZ 3.51Å; Y122-F144 AromaticContact CZ-CD2 3.84Å; Y122-F144 AromaticContact CZ-CE2 3.97Å; I140-F144 HydrophobicContact CG2-CD2 3.91Å; I140-F144 HydrophobicContact CG2-CE2 3.72Å; I140-F144 WeakPolarHBondContact O-CD2 3.44Å; I140-F144 PolarHBondContact O-N 3.35Å; Q141-F144 PolarHBondContact O-N 3.01Å; F144-Y146 VanDerWaalsContact C-N 3.29Å; F144-Y146 PolarHBondContact O-N 3.32Å; F144-W147 PolarHBondContact O-N 2.98Å; F144-S148 PolarHBondContact O-N 2.84Å; F144-S148 PolarHBondContact O-OG 2.84Å; F144-F155 HydrophobicContact CB-CB 4.37Å; F144-F155 HydrophobicContact CB-CD2 3.96Å; F144-F155 HydrophobicContact CB-CG 4.18Å; F144-F155 HydrophobicContact CD1-CB 4.12Å; F144-F155 AromaticContact CD1-CD1 3.44Å; F144-F155 HydrophobicContact CD1-CD1 3.44Å; F144-F155 VanDerWaalsContact CD1-CD1 3.44Å; F144-F155 AromaticContact CD1-CD2 3.76Å; F144-F155 HydrophobicContact CD1-CD2 3.76Å; F144-F155 AromaticContact CD1-CE1 3.68Å; F144-F155 HydrophobicContact CD1-CE1 3.68Å; F144-F155 HydrophobicContact CD1-CE2 4.01Å; F144-F155 AromaticContact CD1-CG 3.48Å; F144-F155 HydrophobicContact CD1-CG 3.48Å; F144-F155 VanDerWaalsContact CD1-CG 3.48Å; F144-F155 AromaticContact CD1-CZ 3.97Å; F144-F155 HydrophobicContact CD1-CZ 3.97Å; F144-F155 AromaticContact CE1-CD1 3.68Å; F144-F155 HydrophobicContact CE1-CD1 3.68Å; F144-F155 AromaticContact CE1-CE1 3.86Å; F144-F155 HydrophobicContact CE1-CE1 3.86Å; F144-F155 HydrophobicContact CE1-CG 4.17Å; F144-F155 HydrophobicContact CE1-CZ 4.5Å; F144-F155 HydrophobicContact CG-CB 4.32Å; F144-F155 HydrophobicContact CG-CD1 4.42Å; F144-F155 HydrophobicContact CG-CD2 4.27Å; F144-F155 HydrophobicContact CG-CG 4.08Å; F144-I165 HydrophobicContact CE1-CD1 3.83Å; F144-I165 HydrophobicContact CZ-CB 4.49Å; F144-I165 HydrophobicContact CZ-CD1 4.27Å; F144-I165 HydrophobicContact CZ-CG2 4.09Å; F144-I167 HydrophobicContact CE2-CD1 3.74Å; F144-I167 HydrophobicContact CZ-CD1 4.01Å; F144-I224 HydrophobicContact CD1-CD1 4.03Å; F144-I224 HydrophobicContact CD1-CG2 3.8Å; F144-I224 HydrophobicContact CD2-CD1 3.76Å; F144-I224 HydrophobicContact CE1-CD1 3.92Å; F144-I224 HydrophobicContact CE1-CG1 4.06Å; F144-I224 HydrophobicContact CE1-CG2 3.62Å; F144-I224 HydrophobicContact CE2-CD1 3.64Å; F144-I224 HydrophobicContact CE2-CG1 4.35Å; F144-I224 HydrophobicContact CG-CD1 3.95Å; F144-I224 HydrophobicContact CZ-CD1 3.72Å; F144-I224 HydrophobicContact CZ-CG1 3.95Å; F144-I224 HydrophobicContact CZ-CG2 4.37Å
145	K	96.9	Very high	97.1	Very high	123 Å²	123	42.8 Å²	42.8	54%	0.535	20%	0.201	S	C	.	.	H	α-helix	trans	-62.4	-36.5	178.6	-166.2	170.1	-178.5	174.8	0	111.9	Q141 T142 A143 W147 S148 N149	Q141-K145 PolarHBondContact O-N 3.36Å; T142-K145 VanDerWaalsContact O-CB 3.3Å; T142-K145 WeakPolarHBondContact O-CB 3.31Å; T142-K145 PolarHBondContact O-N 3.48Å; T142-K145 VanDerWaalsContact O-N 3.13Å; A143-K145 PolarHBondContact O-N 3.43Å; K145-W147 VanDerWaalsContact C-N 3.29Å; K145-W147 PolarHBondContact O-N 3.34Å; K145-S148 WeakPolarHBondContact CA-OG 3.09Å; K145-S148 PolarHBondContact O-N 3.16Å; K145-S148 PolarHBondContact O-OG 2.98Å; K145-N149 VanDerWaalsContact O-CB 3.27Å; K145-N149 WeakPolarHBondContact O-CB 3.45Å; K145-N149 PolarHBondContact O-N 2.88Å; K145-N149 PolarHBondContact O-ND2 3.19Å; K145-N149 PolarHBondContact O-OD1 3.01Å
146	Y	97.3	Very high	97.1	Very high	37 Å²	37	43.6 Å²	43.6	15%	0.145	20%	0.2	C	C	.	.	H	α-helix	trans	-55.5	-45.3	175.5	-63.9	-40.6	0	0	0	112	T142 A143 F144 R217 A221 F251 L253	T142-Y146 HydrophobicContact CG2-CE1 4.41Å; T142-Y146 PolarHBondContact O-N 3.3Å; A143-Y146 WeakPolarHBondContact O-CB 3.38Å; A143-Y146 PolarHBondContact O-N 2.67Å; F144-Y146 VanDerWaalsContact C-N 3.29Å; F144-Y146 PolarHBondContact O-N 3.32Å; Y146-R217 HydrophobicContact CE2-CG 4Å; Y146-R217 WeakPolarHBondContact OH-CD 3.44Å; Y146-R217 PolarHBondContact OH-NE 2.55Å; Y146-A221 HydrophobicContact CD2-CB 3.78Å; Y146-A221 HydrophobicContact CE2-CB 4.3Å; Y146-F251 HydrophobicContact CD1-CD1 4.3Å; Y146-F251 HydrophobicContact CD1-CE1 4.42Å; Y146-F251 AromaticContact CD2-CD1 3.99Å; Y146-F251 HydrophobicContact CD2-CD1 3.99Å; Y146-F251 AromaticContact CD2-CE1 3.71Å; Y146-F251 HydrophobicContact CD2-CE1 3.71Å; Y146-F251 AromaticContact CE1-CD1 3.86Å; Y146-F251 HydrophobicContact CE1-CD1 3.86Å; Y146-F251 HydrophobicContact CE1-CE1 4.4Å; Y146-F251 AromaticContact CE2-CD1 3.5Å; Y146-F251 HydrophobicContact CE2-CD1 3.5Å; Y146-F251 VanDerWaalsContact CE2-CD1 3.5Å; Y146-F251 AromaticContact CE2-CE1 3.67Å; Y146-F251 HydrophobicContact CE2-CE1 3.67Å; Y146-F251 HydrophobicContact CG-CD1 4.38Å; Y146-F251 HydrophobicContact CG-CE1 4.11Å; Y146-F251 AromaticContact CZ-CD1 3.43Å; Y146-F251 VanDerWaalsContact CZ-CD1 3.43Å; Y146-L253 WeakPolarHBondContact O-CD1 3.29Å
147	W	97.9	Very high	97.1	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-74.2	-43.5	179.9	-61.7	115.6	0	0	0	113.5	F144 K145 N149 V150 S151 F155 A221 I224 L228 L230 L239 M240 L253 D257 I261	F144-W147 PolarHBondContact O-N 2.98Å; K145-W147 VanDerWaalsContact C-N 3.29Å; K145-W147 PolarHBondContact O-N 3.34Å; W147-N149 VanDerWaalsContact C-N 3.28Å; W147-N149 PolarHBondContact O-N 2.79Å; W147-V150 PolarHBondContact O-N 3.35Å; W147-S151 WeakPolarHBondContact O-CB 3.46Å; W147-S151 PolarHBondContact O-N 3.38Å; W147-S151 VanDerWaalsContact O-N 3.16Å; W147-S151 PolarHBondContact O-OG 2.93Å; W147-F155 HydrophobicContact CB-CE2 4.2Å; W147-F155 HydrophobicContact CB-CZ 4.43Å; W147-A221 WeakPolarHBondContact CZ2-O 3.47Å; W147-A221 PolarHBondContact NE1-O 3.1Å; W147-I224 VanDerWaalsContact CD1-CG2 3.46Å; W147-I224 HydrophobicContact CG-CG2 4.44Å; W147-L228 HydrophobicContact CB-CD1 3.81Å; W147-L228 HydrophobicContact CD2-CD1 4.18Å; W147-L228 HydrophobicContact CG-CD1 3.71Å; W147-L230 HydrophobicContact CE3-CD1 4.25Å; W147-L230 HydrophobicContact CH2-CD1 3.33Å; W147-L230 HydrophobicContact CZ2-CD1 4.07Å; W147-L230 HydrophobicContact CZ3-CD1 3.44Å; W147-L230 VanDerWaalsContact CZ3-CD1 3.44Å; W147-L239 HydrophobicContact CH2-CD2 4.22Å; W147-L239 HydrophobicContact CZ2-CD2 3.63Å; W147-M240 HydrophobicContact CH2-CG 4.12Å; W147-M240 HydrophobicContact CH2-SD 4.09Å; W147-M240 HydrophobicContact CZ2-SD 3.91Å; W147-L253 HydrophobicContact CD2-CD1 4.47Å; W147-L253 HydrophobicContact CE3-CD1 3.93Å; W147-L253 HydrophobicContact CH2-CD2 4.08Å; W147-L253 HydrophobicContact CZ2-CD2 4.29Å; W147-L253 HydrophobicContact CZ3-CD1 4.06Å; W147-L253 HydrophobicContact CZ3-CD2 4.23Å; W147-D257 HydrophobicContact CH2-CB 4.02Å; W147-D257 HydrophobicContact CZ3-CB 4.13Å; W147-I261 HydrophobicContact CE3-CB 3.91Å; W147-I261 HydrophobicContact CE3-CD1 4.2Å; W147-I261 HydrophobicContact CE3-CG1 3.87Å; W147-I261 HydrophobicContact CE3-CG2 4.01Å; W147-I261 HydrophobicContact CZ3-CB 3.92Å; W147-I261 HydrophobicContact CZ3-CG1 4.35Å; W147-I261 HydrophobicContact CZ3-CG2 4.09Å
148	S	96.8	Very high	96.9	Very high	25 Å²	25	43 Å²	43	18%	0.175	20%	0.202	C	C	.	.	H	α-helix	trans	-68.5	-24.5	179.2	63.9	0	0	0	0	113.9	F144 K145 V150 L153	F144-S148 PolarHBondContact O-N 2.84Å; F144-S148 PolarHBondContact O-OG 2.84Å; K145-S148 WeakPolarHBondContact CA-OG 3.09Å; K145-S148 PolarHBondContact O-N 3.16Å; K145-S148 PolarHBondContact O-OG 2.98Å; S148-V150 VanDerWaalsContact C-N 3.26Å; S148-V150 PolarHBondContact O-N 2.97Å; S148-L153 WeakPolarHBondContact CB-O 3.28Å
149	N	95.4	Very high	96.7	Very high	95 Å²	95	43 Å²	43	51%	0.508	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-24.7	176.5	-76.6	-13	0	0	0	112.7	K145 W147 P268	K145-N149 VanDerWaalsContact O-CB 3.27Å; K145-N149 WeakPolarHBondContact O-CB 3.45Å; K145-N149 PolarHBondContact O-N 2.88Å; K145-N149 PolarHBondContact O-ND2 3.19Å; K145-N149 PolarHBondContact O-OD1 3.01Å; W147-N149 VanDerWaalsContact C-N 3.28Å; W147-N149 PolarHBondContact O-N 2.79Å; N149-P268 WeakPolarHBondContact O-CG 3.36Å
150	V	94.8	Very high	96.2	Very high	28 Å²	28	50.8 Å²	50.8	17%	0.17	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117	0.3	-172.9	-57.9	0	0	0	0	113.5	W147 S148 L253 I258 I261 Q262	W147-V150 PolarHBondContact O-N 3.35Å; S148-V150 VanDerWaalsContact C-N 3.26Å; S148-V150 PolarHBondContact O-N 2.97Å; V150-L253 HydrophobicContact CG1-CD1 4.34Å; V150-L253 HydrophobicContact CG2-CD1 3.65Å; V150-I258 HydrophobicContact CB-CG1 4.41Å; V150-I258 HydrophobicContact CB-CG2 4.32Å; V150-I258 HydrophobicContact CG1-CD1 4.35Å; V150-I258 HydrophobicContact CG1-CG1 4.25Å; V150-I258 HydrophobicContact CG2-CG1 4.4Å; V150-I261 HydrophobicContact CG2-CG2 3.77Å; V150-Q262 WeakPolarHBondContact O-CG 3.45Å; V150-Q262 PolarHBondContact O-NE2 3.28Å
151	S	95.1	Very high	95.6	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.26	C	S	.	.	S	Bend	trans	-132.6	171.1	179.7	68	0	0	0	0	112.5	W147 L153 G266 P268	W147-S151 WeakPolarHBondContact O-CB 3.46Å; W147-S151 PolarHBondContact O-N 3.38Å; W147-S151 VanDerWaalsContact O-N 3.16Å; W147-S151 PolarHBondContact O-OG 2.93Å; S151-L153 PolarHBondContact O-N 3.25Å; S151-L153 WeakPolarHBondContact OG-CB 3.31Å; S151-L153 PolarHBondContact OG-N 3.49Å; S151-G266 CarbonylContact C-O 3.48Å; S151-G266 VanDerWaalsContact CA-O 3.22Å; S151-G266 WeakPolarHBondContact CA-O 3.43Å; S151-P268 WeakPolarHBondContact O-CA 3.17Å; S151-P268 WeakPolarHBondContact O-CG 3.34Å
152	S	95.1	Very high	95.1	Very high	3 Å²	3	59.3 Å²	59.3	2%	0.021	28%	0.281	C	S	.	.	S	Bend	trans	-74.5	-4	171.8	76.5	0	0	0	0	113.9	K118 Y265 G266 K267	K118-S152 VanDerWaalsContact CD-OG 3.26Å; K118-S152 WeakPolarHBondContact CD-OG 3.37Å; K118-S152 VanDerWaalsContact CE-OG 3.29Å; K118-S152 WeakPolarHBondContact CE-OG 3.4Å; K118-S152 PolarHBondContact NZ-OG 2.71Å; S152-Y265 WeakPolarHBondContact CB-O 3.38Å; S152-Y265 PolarHBondContact OG-O 3.3Å; S152-G266 PolarHBondContact N-O 3.43Å; S152-G266 VanDerWaalsContact N-O 3.1Å; S152-K267 WeakPolarHBondContact CB-O 3.48Å
153	L	96.4	Very high	94.8	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	27%	0.272	C	S	.	.			trans	-66.9	145.8	-178.4	-65.3	176.3	0	0	0	112.5	K118 L120 S148 S151 F155 L228 I261 Y265	K118-L153 HydrophobicContact CB-CD2 4.48Å; K118-L153 CarbonylContact O-C 3.46Å; K118-L153 WeakPolarHBondContact O-CA 3.44Å; L120-L153 HydrophobicContact CD1-CD2 4.17Å; S148-L153 WeakPolarHBondContact CB-O 3.28Å; S151-L153 PolarHBondContact O-N 3.25Å; S151-L153 WeakPolarHBondContact OG-CB 3.31Å; S151-L153 PolarHBondContact OG-N 3.49Å; L153-F155 HydrophobicContact CB-CE2 4.05Å; L153-F155 HydrophobicContact CB-CZ 3.87Å; L153-F155 HydrophobicContact CD1-CZ 3.84Å; L153-F155 HydrophobicContact CG-CZ 4.5Å; L153-L228 HydrophobicContact CD1-CD1 4Å; L153-L228 HydrophobicContact CD1-CD2 3.6Å; L153-L228 HydrophobicContact CD1-CG 4.34Å; L153-I261 HydrophobicContact CD1-CD1 4.31Å; L153-Y265 HydrophobicContact CD1-CD1 4.3Å; L153-Y265 HydrophobicContact CD1-CD2 3.58Å; L153-Y265 HydrophobicContact CD1-CE2 3.85Å; L153-Y265 HydrophobicContact CD1-CG 3.82Å; L153-Y265 HydrophobicContact CD2-CD1 3.53Å; L153-Y265 HydrophobicContact CD2-CD2 4.33Å; L153-Y265 HydrophobicContact CD2-CE1 3.93Å; L153-Y265 HydrophobicContact CD2-CG 3.74Å; L153-Y265 HydrophobicContact CG-CD1 4.07Å; L153-Y265 HydrophobicContact CG-CD2 4.02Å; L153-Y265 HydrophobicContact CG-CG 3.71Å
154	K	96.4	Very high	94.4	Very high	88 Å²	88	59 Å²	59	38%	0.383	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	140.7	170.9	-58.4	-62	172.8	-163.1	0	109.1	K118 M119 L120	K118-K154 PolarHBondContact O-N 3.38Å; M119-K154 WeakPolarHBondContact CA-O 3.33Å; L120-K154 PolarHBondContact N-O 2.89Å
155	F	97.9	Very high	94.3	Very high	40 Å²	40	58.8 Å²	58.8	18%	0.175	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	138.2	-178.5	-58.6	-74.4	0	0	0	110.5	L120 Y122 F144 W147 L153 I165 L228	L120-F155 HydrophobicContact CB-CD1 3.88Å; L120-F155 HydrophobicContact CB-CE1 3.99Å; L120-F155 HydrophobicContact CD1-CE1 3.86Å; L120-F155 HydrophobicContact CG-CE1 4.47Å; L120-F155 CarbonylContact O-C 3.59Å; L120-F155 VanDerWaalsContact O-CA 3.29Å; L120-F155 WeakPolarHBondContact O-CA 3.47Å; Y122-F155 HydrophobicContact CD1-CB 4.19Å; Y122-F155 HydrophobicContact CE1-CB 4.23Å; F144-F155 HydrophobicContact CB-CB 4.37Å; F144-F155 HydrophobicContact CB-CD2 3.96Å; F144-F155 HydrophobicContact CB-CG 4.18Å; F144-F155 HydrophobicContact CD1-CB 4.12Å; F144-F155 AromaticContact CD1-CD1 3.44Å; F144-F155 HydrophobicContact CD1-CD1 3.44Å; F144-F155 VanDerWaalsContact CD1-CD1 3.44Å; F144-F155 AromaticContact CD1-CD2 3.76Å; F144-F155 HydrophobicContact CD1-CD2 3.76Å; F144-F155 AromaticContact CD1-CE1 3.68Å; F144-F155 HydrophobicContact CD1-CE1 3.68Å; F144-F155 HydrophobicContact CD1-CE2 4.01Å; F144-F155 AromaticContact CD1-CG 3.48Å; F144-F155 HydrophobicContact CD1-CG 3.48Å; F144-F155 VanDerWaalsContact CD1-CG 3.48Å; F144-F155 AromaticContact CD1-CZ 3.97Å; F144-F155 HydrophobicContact CD1-CZ 3.97Å; F144-F155 AromaticContact CE1-CD1 3.68Å; F144-F155 HydrophobicContact CE1-CD1 3.68Å; F144-F155 AromaticContact CE1-CE1 3.86Å; F144-F155 HydrophobicContact CE1-CE1 3.86Å; F144-F155 HydrophobicContact CE1-CG 4.17Å; F144-F155 HydrophobicContact CE1-CZ 4.5Å; F144-F155 HydrophobicContact CG-CB 4.32Å; F144-F155 HydrophobicContact CG-CD1 4.42Å; F144-F155 HydrophobicContact CG-CD2 4.27Å; F144-F155 HydrophobicContact CG-CG 4.08Å; W147-F155 HydrophobicContact CB-CE2 4.2Å; W147-F155 HydrophobicContact CB-CZ 4.43Å; L153-F155 HydrophobicContact CB-CE2 4.05Å; L153-F155 HydrophobicContact CB-CZ 3.87Å; L153-F155 HydrophobicContact CD1-CZ 3.84Å; L153-F155 HydrophobicContact CG-CZ 4.5Å; F155-I165 HydrophobicContact CE1-CD1 4.39Å; F155-L228 HydrophobicContact CE1-CD2 3.91Å; F155-L228 HydrophobicContact CZ-CD1 3.95Å; F155-L228 HydrophobicContact CZ-CD2 3.96Å
156	R	96.9	Very high	94.1	Very high	141 Å²	141	55.5 Å²	55.5	53%	0.532	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	123.5	173	-175.3	174.5	67	-167.6	0.1	110.1	L120 T121 Y122	L120-R156 PolarHBondContact O-N 3.28Å; T121-R156 CarbonylContact C-O 3.55Å; T121-R156 VanDerWaalsContact CA-O 3.25Å; T121-R156 WeakPolarHBondContact CA-O 3.34Å; Y122-R156 PolarHBondContact N-O 2.9Å
157	E	97.5	Very high	94.2	Very high	29 Å²	29	53.8 Å²	53.8	14%	0.136	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	136.1	171.4	-163.5	169.9	154.6	0	0	110.2	Y122 R137 Q141 H159	Y122-E157 HydrophobicContact CD2-CG 4.18Å; Y122-E157 HydrophobicContact CE1-CB 3.91Å; Y122-E157 HydrophobicContact CE1-CG 4.49Å; Y122-E157 HydrophobicContact CE2-CB 3.86Å; Y122-E157 HydrophobicContact CE2-CG 3.52Å; Y122-E157 VanDerWaalsContact CZ-CB 3.49Å; Y122-E157 CarbonylContact O-C 3.56Å; Y122-E157 WeakPolarHBondContact O-CA 3.42Å; Y122-E157 WeakPolarHBondContact OH-CB 3.35Å; Y122-E157 PolarHBondContact OH-OE2 3.17Å; R137-E157 IonicContact CZ-OE1 3.57Å; R137-E157 IonicContact NE-OE1 2.88Å; R137-E157 PolarHBondContact NE-OE1 3.27Å; R137-E157 IonicContact NE-OE2 3.49Å; R137-E157 IonicContact NH2-OE1 3.92Å; Q141-E157 PolarHBondContact NE2-OE2 2.78Å; E157-H159 IonicContact OE1-CE1 3.81Å; E157-H159 PolarHBondContact OE1-CE1 3.45Å; E157-H159 IonicContact OE1-ND1 2.79Å
158	L	95.1	Very high	94	Very high	39 Å²	39	54.4 Å²	54.4	20%	0.204	26%	0.261	C	S	.	.			trans	-111.6	140.6	168.3	-59.4	-176.8	0	0	0	109.5	T121 Y122 R123 A163	T121-L158 HydrophobicContact CG2-CD1 3.92Å; T121-L158 HydrophobicContact CG2-CD2 4.27Å; T121-L158 HydrophobicContact CG2-CG 4.08Å; Y122-L158 PolarHBondContact O-N 3.25Å; R123-L158 WeakPolarHBondContact CG-O 3.41Å; L158-A163 HydrophobicContact CD1-CB 4.2Å
159	H	92.8	Very high	93.9	Very high	121 Å²	121	53.4 Å²	53.4	56%	0.56	25%	0.253	S	S	*	.	S	Bend	trans	-97	-15.4	175.7	-59.7	-52.7	0	0	0	113	E157	E157-H159 IonicContact OE1-CE1 3.81Å; E157-H159 PolarHBondContact OE1-CE1 3.45Å; E157-H159 IonicContact OE1-ND1 2.79Å
160	Q	87	Confident	93.5	Very high	164 Å²	164	50.6 Å²	50.6	77%	0.766	24%	0.237	S	C	*	.	S	Bend	trans	-145.9	163.1	-179.4	63.3	-175	6.6	0	0	110.9
161	G	87.6	Confident	93	Very high	46 Å²	46	51.7 Å²	51.7	47%	0.474	24%	0.244	S	C	.	.	S	Bend	trans	76.9	-166.9	-179.5	0	0	0	0	0	114.1	R123	R123-G161 WeakPolarHBondContact CD-O 3.41Å; R123-G161 PolarHBondContact NH1-O 3.08Å
162	R	85.6	Confident	92	Very high	220 Å²	220	57.6 Å²	57.6	83%	0.83	27%	0.27	S	S	*	.			trans	-91.1	137.4	178.8	-63	178.9	75.9	177	2.8	109.9
163	A	91.8	Very high	90.7	Very high	8 Å²	8	61.3 Å²	61.3	7%	0.066	29%	0.289	C	S	.	.			trans	-116.7	161.6	174.2	0	0	0	0	0	110.5	R123 L158	R123-A163 HydrophobicContact CB-CB 3.64Å; L158-A163 HydrophobicContact CD1-CB 4.2Å
164	D	90	Very high	89	Confident	27 Å²	27	70.9 Å²	70.9	14%	0.144	33%	0.331	C	S	.	.	S	Bend	trans	-67.5	-46.8	176	-54.8	-53.8	0	0	0	110.9	W115 K117 L120 T121	W115-D164 HydrophobicContact CH2-CB 3.99Å; W115-D164 HydrophobicContact CZ2-CB 4.34Å; W115-D164 HydrophobicContact CZ3-CB 4.24Å; K117-D164 WeakPolarHBondContact CE-OD1 3.31Å; K117-D164 VanDerWaalsContact CE-OD2 3.23Å; K117-D164 WeakPolarHBondContact CE-OD2 3.49Å; K117-D164 IonicContact NZ-OD1 2.77Å; K117-D164 PolarHBondContact NZ-OD1 3.33Å; K117-D164 IonicContact NZ-OD2 3.85Å; K117-D164 PolarHBondContact NZ-OD2 2.97Å; L120-D164 HydrophobicContact CD2-CB 4.3Å; T121-D164 PolarHBondContact N-OD2 3.47Å; T121-D164 WeakPolarHBondContact O-CB 3.48Å; T121-D164 PolarHBondContact O-N 2.9Å; T121-D164 PolarHBondContact OG1-N 3.41Å; T121-D164 VanDerWaalsContact OG1-N 3.15Å; T121-D164 PolarHBondContact OG1-OD2 2.76Å
165	I	95.8	Very high	87.5	Confident	0 Å²	0	70 Å²	70	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	121.5	178.3	-59.4	171.3	0	0	0	109.3	W115 L120 T121 Y122 R123 F144 F155 I167 G196 V198 A227 L228	W115-I165 HydrophobicContact CZ2-CG1 4.43Å; L120-I165 HydrophobicContact CD1-CD1 4.44Å; T121-I165 PolarHBondContact O-N 3.22Å; Y122-I165 CarbonylContact C-O 3.5Å; Y122-I165 WeakPolarHBondContact CA-O 3.24Å; R123-I165 PolarHBondContact N-O 3.06Å; F144-I165 HydrophobicContact CE1-CD1 3.83Å; F144-I165 HydrophobicContact CZ-CB 4.49Å; F144-I165 HydrophobicContact CZ-CD1 4.27Å; F144-I165 HydrophobicContact CZ-CG2 4.09Å; F155-I165 HydrophobicContact CE1-CD1 4.39Å; I165-I167 HydrophobicContact CG2-CG1 4.23Å; I165-G196 CarbonylContact C-O 3.45Å; I165-G196 WeakPolarHBondContact CA-O 3.39Å; I165-G196 WeakPolarHBondContact CG2-O 3.21Å; I165-V198 HydrophobicContact CG2-CG2 3.98Å; I165-A227 HydrophobicContact CD1-CB 4.39Å; I165-A227 HydrophobicContact CG1-CB 4.42Å; I165-A227 HydrophobicContact CG2-CB 4.26Å; I165-L228 HydrophobicContact CD1-CD2 4.31Å
166	K	93.7	Very high	85.8	Confident	55 Å²	55	68.2 Å²	68.2	24%	0.239	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	116.7	-173.9	-56.7	171	-150.8	112.7	0	108.5	Y125 S195 G196 I197 V198	Y125-K166 HydrophobicContact CD2-CB 4.44Å; Y125-K166 HydrophobicContact CE2-CB 3.84Å; Y125-K166 HydrophobicContact CE2-CG 4.06Å; K166-S195 PolarHBondContact NZ-O 3.09Å; K166-G196 PolarHBondContact N-O 2.96Å; K166-I197 HydrophobicContact CD-CG1 4.35Å; K166-V198 PolarHBondContact O-N 3.01Å
167	I	97.6	Very high	83.9	Confident	1 Å²	1	67.5 Å²	67.5	1%	0.005	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	127.8	-175.8	-63.7	168.5	0	0	0	109.7	Y122 R123 I124 Y125 I140 F144 I165 V198 F200	Y122-I167 HydrophobicContact CD2-CD1 4.16Å; R123-I167 PolarHBondContact O-N 3.42Å; I124-I167 WeakPolarHBondContact CA-O 3.49Å; I124-I167 HydrophobicContact CG1-CB 4.43Å; Y125-I167 PolarHBondContact N-O 3Å; I140-I167 HydrophobicContact CD1-CG2 3.91Å; I140-I167 HydrophobicContact CG2-CD1 3.6Å; F144-I167 HydrophobicContact CE2-CD1 3.74Å; F144-I167 HydrophobicContact CZ-CD1 4.01Å; I165-I167 HydrophobicContact CG2-CG1 4.23Å; I167-V198 WeakPolarHBondContact CA-O 3.15Å; I167-V198 HydrophobicContact CG1-CB 4.07Å; I167-F200 HydrophobicContact CG2-CD2 4.13Å; I167-F200 HydrophobicContact CG2-CE2 3.65Å
168	S	94.5	Very high	82.4	Confident	13 Å²	13	70.1 Å²	70.1	9%	0.091	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	161.4	174.5	51.6	0	0	0	0	112.3	N126 H170 V198 H199 F200	N126-S168 WeakPolarHBondContact OD1-CA 3.29Å; N126-S168 VanDerWaalsContact OD1-CB 3.25Å; N126-S168 WeakPolarHBondContact OD1-CB 3.21Å; S168-H170 PolarHBondContact OG-NE2 2.72Å; S168-V198 PolarHBondContact N-O 3.36Å; S168-V198 VanDerWaalsContact N-O 3.14Å; S168-H199 VanDerWaalsContact O-CA 3.32Å; S168-H199 WeakPolarHBondContact O-CA 3.37Å; S168-H199 PolarHBondContact OG-CD2 3.21Å; S168-H199 PolarHBondContact OG-NE2 3.36Å; S168-F200 PolarHBondContact O-N 2.72Å
169	F	94.3	Very high	81.2	Confident	4 Å²	4	72 Å²	72	2%	0.018	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	134.8	177.5	-59.9	-104.3	0	0	0	109	N126 T128 T136 I140 F200 E202 L216	N126-F169 PolarHBondContact ND2-O 2.93Å; N126-F169 WeakPolarHBondContact O-CD2 3.26Å; N126-F169 PolarHBondContact OD1-N 2.95Å; T128-F169 HydrophobicContact CG2-CD1 4.39Å; T128-F169 HydrophobicContact CG2-CE1 3.89Å; T128-F169 HydrophobicContact CG2-CZ 4.19Å; T136-F169 HydrophobicContact CG2-CE2 3.79Å; T136-F169 HydrophobicContact CG2-CZ 3.64Å; I140-F169 HydrophobicContact CD1-CZ 4.46Å; F169-F200 WeakPolarHBondContact CA-O 3.49Å; F169-F200 HydrophobicContact CD1-CB 3.49Å; F169-F200 VanDerWaalsContact CD1-CB 3.49Å; F169-F200 HydrophobicContact CD1-CD2 4.37Å; F169-F200 HydrophobicContact CD1-CG 4.17Å; F169-F200 HydrophobicContact CE1-CB 3.69Å; F169-F200 HydrophobicContact CE1-CD2 4.02Å; F169-F200 AromaticContact CE1-CG 3.89Å; F169-F200 HydrophobicContact CE1-CG 3.89Å; F169-F200 HydrophobicContact CE2-CD2 4.4Å; F169-F200 HydrophobicContact CG-CB 4.16Å; F169-F200 HydrophobicContact CZ-CD2 4.02Å; F169-F200 HydrophobicContact CZ-CG 4.34Å; F169-E202 HydrophobicContact CB-CB 4.23Å; F169-E202 HydrophobicContact CB-CG 4.48Å; F169-E202 WeakPolarHBondContact CB-OE2 3.22Å; F169-E202 WeakPolarHBondContact CD1-OE2 3.29Å; F169-E202 WeakPolarHBondContact CG-OE2 2.9Å; F169-L216 HydrophobicContact CE1-CD1 3.83Å; F169-L216 HydrophobicContact CE1-CD2 4.39Å; F169-L216 HydrophobicContact CZ-CD1 3.96Å; F169-L216 HydrophobicContact CZ-CD2 4.07Å
170	H	87.6	Confident	80.6	Confident	36 Å²	36	66.6 Å²	66.6	17%	0.167	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	146.9	-177.8	-57.1	-85.6	0	0	0	109.4	S168 S175 C176 F180 H199 F200 D201 E202	S168-H170 PolarHBondContact OG-NE2 2.72Å; H170-S175 PolarHBondContact ND1-OG 2.68Å; H170-C176 HydrophobicContact CB-CB 4.32Å; H170-F180 HydrophobicContact CB-CD2 4.48Å; H170-F180 HydrophobicContact CB-CE2 4.23Å; H170-H199 AromaticContact CD2-CD2 3.61Å; H170-H199 AromaticContact CD2-CG 3.54Å; H170-H199 AromaticContact CD2-ND1 3.81Å; H170-H199 AromaticContact CD2-NE2 3.89Å; H170-H199 AromaticContact NE2-CD2 3.34Å; H170-H199 PolarHBondContact NE2-CD2 2.85Å; H170-H199 VanDerWaalsContact NE2-CD2 3.34Å; H170-H199 AromaticContact NE2-CE1 3.56Å; H170-H199 AromaticContact NE2-CG 3.71Å; H170-H199 AromaticContact NE2-ND1 3.83Å; H170-H199 AromaticContact NE2-NE2 3.22Å; H170-H199 PolarHBondContact NE2-NE2 2.75Å; H170-F200 PolarHBondContact N-O 3.44Å; H170-D201 CarbonylContact O-C 3.6Å; H170-D201 WeakPolarHBondContact O-CA 3.35Å; H170-E202 PolarHBondContact O-N 2.89Å
171	T	84.8	Confident	80.2	Confident	51 Å²	51	61 Å²	61	31%	0.313	32%	0.324	S	S	.	.			trans	-87.1	-176.7	172	57.5	0	0	0	0	109.7	D173 E202	T171-D173 PolarHBondContact O-N 3.39Å; T171-E202 HydrophobicContact CG2-CB 3.93Å; T171-E202 HydrophobicContact CG2-CG 4.38Å
172	K	74.3	Confident	79.6	Confident	124 Å²	124	59.2 Å²	59.2	54%	0.539	31%	0.306	S	S	.	.	S	Bend	trans	-58.7	1.7	171.3	-175.3	160.8	-172.4	168.9	0	116.1	F180 D181 D203	K172-F180 WeakPolarHBondContact CG-O 3.18Å; K172-D181 PolarHBondContact NZ-O 2.96Å; K172-D203 WeakPolarHBondContact CB-OD2 3.34Å; K172-D203 PolarHBondContact N-OD2 2.99Å; K172-D203 VanDerWaalsContact N-OD2 3.14Å
173	D	66.9	Low	79.5	Confident	80 Å²	80	56.6 Å²	56.6	43%	0.428	30%	0.296	S	S	.	.	S	Bend	trans	-67.8	167.2	177.6	74	5.2	0	0	0	112.3	T171 S175	T171-D173 PolarHBondContact O-N 3.39Å; D173-S175 PolarHBondContact O-N 3.11Å; D173-S175 VanDerWaalsContact O-N 3.09Å; D173-S175 WeakPolarHBondContact OD1-CB 3.33Å; D173-S175 PolarHBondContact OD1-N 2.71Å; D173-S175 VanDerWaalsContact OD1-N 3.12Å; D173-S175 PolarHBondContact OD1-OG 3.31Å
174	K	61.6	Low	78.7	Confident	202 Å²	202	57.4 Å²	57.4	88%	0.878	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	16.1	178.7	-64.3	-174.5	-179.7	-179.8	0	112.9	C176	K174-C176 VanDerWaalsContact C-N 3.26Å
175	S	63.8	Low	78.4	Confident	68 Å²	68	60.6 Å²	60.6	48%	0.476	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-26.1	178.5	73.3	0	0	0	0	111.8	H170 D173	H170-S175 PolarHBondContact ND1-OG 2.68Å; D173-S175 PolarHBondContact O-N 3.11Å; D173-S175 VanDerWaalsContact O-N 3.09Å; D173-S175 WeakPolarHBondContact OD1-CB 3.33Å; D173-S175 PolarHBondContact OD1-N 2.71Å; D173-S175 VanDerWaalsContact OD1-N 3.12Å; D173-S175 PolarHBondContact OD1-OG 3.31Å
176	C	62.4	Low	78.2	Confident	4 Å²	4	60.9 Å²	60.9	3%	0.027	32%	0.321	C	S	.	.	S	Bend	trans	-96.2	135.3	172.9	-174	0	0	0	0	111.4	H170 K174 V178 H199	H170-C176 HydrophobicContact CB-CB 4.32Å; K174-C176 VanDerWaalsContact C-N 3.26Å; C176-V178 PolarHBondContact O-N 2.64Å; C176-V178 PolarHBondContact SG-O 3.4Å; C176-H199 PolarHBondContact SG-ND1 2.85Å
177	P	57.2	Low	78.3	Confident	125 Å²	125	58.4 Å²	58.4	81%	0.812	31%	0.31	S	S	*	.	S	Bend	trans	-60.2	-24.5	174.5	-24.6	34.2	0	0	0	114.3
178	V	65.8	Low	78.1	Confident	85 Å²	85	58.3 Å²	58.3	52%	0.515	31%	0.31	S	S	.	.	S	Bend	trans	-116.9	95.4	173.5	-178	0	0	0	0	106.9	C176 H189	C176-V178 PolarHBondContact O-N 2.64Å; C176-V178 PolarHBondContact SG-O 3.4Å; V178-H189 VanDerWaalsContact CB-CE1 3.49Å; V178-H189 WeakPolarHBondContact CB-CE1 3.39Å; V178-H189 PolarHBondContact O-CE1 3.34Å
179	P	69.7	Low	77.6	Confident	78 Å²	78	58.6 Å²	58.6	51%	0.506	31%	0.309	S	S	.	.			trans	-65.9	141.9	-176.4	-20.8	32.7	0	0	0	111.8
180	F	80.6	Confident	77.4	Confident	7 Å²	7	58.6 Å²	58.6	3%	0.031	31%	0.31	C	S	.	.			trans	-74.8	159.3	172.7	-68.5	-64.4	0	0	0	112	H170 K172 V186 H189 H199 F200 D201	H170-F180 HydrophobicContact CB-CD2 4.48Å; H170-F180 HydrophobicContact CB-CE2 4.23Å; K172-F180 WeakPolarHBondContact CG-O 3.18Å; F180-V186 HydrophobicContact CD1-CB 4.5Å; F180-V186 HydrophobicContact CD1-CG1 3.91Å; F180-V186 HydrophobicContact CE1-CG1 4.05Å; F180-H189 AromaticContact CE1-CE1 3.7Å; F180-H189 AromaticContact CE1-ND1 3.82Å; F180-H189 AromaticContact CZ-CE1 3.79Å; F180-H189 AromaticContact CZ-NE2 3.79Å; F180-H199 HydrophobicContact CE2-CB 4.14Å; F180-H199 HydrophobicContact CZ-CB 3.81Å; F180-F200 WeakPolarHBondContact CE2-O 3.39Å; F180-D201 HydrophobicContact CB-CB 4.06Å; F180-D201 WeakPolarHBondContact CB-OD2 3.42Å; F180-D201 HydrophobicContact CD1-CB 3.79Å; F180-D201 HydrophobicContact CD2-CB 3.85Å; F180-D201 HydrophobicContact CE1-CB 4.18Å; F180-D201 HydrophobicContact CE2-CB 4.21Å; F180-D201 HydrophobicContact CG-CB 3.63Å; F180-D201 HydrophobicContact CZ-CB 4.37Å
181	D	77.8	Confident	77	Confident	46 Å²	46	60.2 Å²	60.2	25%	0.246	32%	0.32	C	S	.	.			trans	-89.1	-9	-179.7	40.4	22.1	0	0	0	113.5	K44 K172 H185 V186	K44-D181 IonicContact NZ-OD2 2.76Å; K44-D181 PolarHBondContact NZ-OD2 3.26Å; K172-D181 PolarHBondContact NZ-O 2.96Å; D181-H185 WeakPolarHBondContact OD1-CB 3.48Å; D181-V186 WeakPolarHBondContact OD1-CB 3.44Å; D181-V186 PolarHBondContact OD1-N 3.14Å; D181-V186 WeakPolarHBondContact OD2-CG2 3.49Å
182	G	75.3	Confident	76.8	Confident	9 Å²	9	58.8 Å²	58.8	9%	0.093	31%	0.313	C	S	.	.			trans	90.3	-178.6	-174.4	0	0	0	0	0	111.2	G184	G182-G184 PolarHBondContact O-N 2.92Å
183	R	83.7	Confident	77.2	Confident	165 Å²	165	54 Å²	54	62%	0.623	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	133.3	-166.9	-166.8	173.1	-178.9	171.6	3.1	116.3	D203 E204	R183-D203 WeakPolarHBondContact CB-O 3.37Å; R183-E204 WeakPolarHBondContact CA-OE1 3.29Å
184	G	76.5	Confident	77.7	Confident	25 Å²	25	56.2 Å²	56.2	26%	0.258	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.1	1.8	165.7	0	0	0	0	0	115.5	G182 E204	G182-G184 PolarHBondContact O-N 2.92Å; G184-E204 PolarHBondContact N-OE1 3.21Å; G184-E204 PolarHBondContact N-OE2 2.97Å
185	H	83.7	Confident	78.6	Confident	94 Å²	94	48.5 Å²	48.5	44%	0.435	27%	0.274	S	S	.	.	S	Bend	trans	-119.7	-94.4	-174.7	-67.3	-63.4	0	0	0	111.7	P94 R95 D181 L187	P94-H185 CarbonylContact C-O 3.58Å; P94-H185 VanDerWaalsContact CA-O 3.3Å; P94-H185 WeakPolarHBondContact CA-O 3.35Å; R95-H185 PolarHBondContact N-O 2.77Å; D181-H185 WeakPolarHBondContact OD1-CB 3.48Å; H185-L187 PolarHBondContact O-N 2.87Å
186	V	90.6	Very high	79.4	Confident	7 Å²	7	45.2 Å²	45.2	4%	0.042	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	112.1	178.2	173.9	0	0	0	0	109.4	Y45 G97 F180 D181	Y45-V186 WeakPolarHBondContact OH-CG2 3.25Å; G97-V186 VanDerWaalsContact CA-CG1 3.44Å; F180-V186 HydrophobicContact CD1-CB 4.5Å; F180-V186 HydrophobicContact CD1-CG1 3.91Å; F180-V186 HydrophobicContact CE1-CG1 4.05Å; D181-V186 WeakPolarHBondContact OD1-CB 3.44Å; D181-V186 PolarHBondContact OD1-N 3.14Å; D181-V186 WeakPolarHBondContact OD2-CG2 3.49Å
187	L	94.9	Very high	80.5	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.01	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	-37.4	-177	-61.4	-177.4	0	0	0	112.8	P94 R95 H185 D201 E204 W206 S214 V219 Y244	P94-L187 HydrophobicContact CB-CD1 3.87Å; P94-L187 HydrophobicContact CB-CD2 3.79Å; P94-L187 HydrophobicContact CB-CG 3.83Å; R95-L187 PolarHBondContact O-N 3.48Å; H185-L187 PolarHBondContact O-N 2.87Å; L187-D201 PolarHBondContact O-N 3.08Å; L187-E204 VanDerWaalsContact CD2-CD 3.45Å; L187-E204 HydrophobicContact CD2-CG 3.8Å; L187-E204 WeakPolarHBondContact CD2-OE1 3.01Å; L187-W206 HydrophobicContact CB-CH2 4.31Å; L187-W206 WeakPolarHBondContact O-CH2 3.36Å; L187-W206 WeakPolarHBondContact O-CZ2 3.22Å; L187-S214 VanDerWaalsContact CD2-OG 3.3Å; L187-S214 WeakPolarHBondContact CD2-OG 3.41Å; L187-V219 HydrophobicContact CB-CG1 4.1Å; L187-V219 HydrophobicContact CD1-CG2 3.79Å; L187-Y244 HydrophobicContact CD1-CD1 3.76Å; L187-Y244 HydrophobicContact CD1-CD2 4.12Å; L187-Y244 HydrophobicContact CD1-CE1 4.44Å; L187-Y244 HydrophobicContact CD1-CG 3.56Å
188	A	93.7	Very high	82.2	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.5	168.4	-173.4	0	0	0	0	0	110.6	G97 H199 F200 V219 E223	G97-A188 PolarHBondContact N-O 3.04Å; A188-H199 WeakPolarHBondContact CA-O 3.15Å; A188-H199 VanDerWaalsContact CB-O 3.23Å; A188-H199 WeakPolarHBondContact CB-O 3.47Å; A188-F200 HydrophobicContact CB-CD1 3.74Å; A188-F200 HydrophobicContact CB-CE1 4.16Å; A188-F200 HydrophobicContact CB-CG 4.42Å; A188-V219 HydrophobicContact CB-CG1 3.68Å; A188-E223 HydrophobicContact CB-CG 3.49Å; A188-E223 VanDerWaalsContact CB-CG 3.49Å
189	H	85.4	Confident	83.4	Confident	18 Å²	18	38.2 Å²	38.2	8%	0.083	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	165.4	165.2	53.1	-138.2	0	0	0	111.3	L98 V178 F180 H199 E223	L98-H189 HydrophobicContact CD1-CB 3.48Å; L98-H189 VanDerWaalsContact CD1-CB 3.48Å; V178-H189 VanDerWaalsContact CB-CE1 3.49Å; V178-H189 WeakPolarHBondContact CB-CE1 3.39Å; V178-H189 PolarHBondContact O-CE1 3.34Å; F180-H189 AromaticContact CE1-CE1 3.7Å; F180-H189 AromaticContact CE1-ND1 3.82Å; F180-H189 AromaticContact CZ-CE1 3.79Å; F180-H189 AromaticContact CZ-NE2 3.79Å; H189-H199 PolarHBondContact N-O 3.01Å; H189-H199 AromaticContact NE2-CG 3.91Å; H189-H199 AromaticContact NE2-ND1 3.59Å; H189-H199 PolarHBondContact O-N 3.43Å; H189-E223 WeakPolarHBondContact CA-OE2 3.47Å
190	A	88.7	Confident	84.6	Confident	4 Å²	4	34.5 Å²	34.5	3%	0.033	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	146.9	174.1	0	0	0	0	0	113.5	L98 I197 V198 E223 H226	L98-A190 WeakPolarHBondContact CD1-O 3.4Å; A190-I197 CarbonylContact C-O 3.49Å; A190-I197 WeakPolarHBondContact CA-O 3.37Å; A190-I197 WeakPolarHBondContact CB-O 3.43Å; A190-V198 HydrophobicContact CB-CB 4.38Å; A190-V198 HydrophobicContact CB-CG2 3.85Å; A190-E223 HydrophobicContact CB-CB 4.02Å; A190-E223 VanDerWaalsContact CB-O 3.3Å; A190-E223 WeakPolarHBondContact CB-O 3.32Å; A190-E223 PolarHBondContact N-OE2 3.24Å; A190-H226 HydrophobicContact CB-CB 3.8Å
191	D	80.5	Confident	85.3	Confident	70 Å²	70	34.2 Å²	34.2	37%	0.374	18%	0.177	S	C	.	.	P	Polyproline II helix	trans	-85	137.5	171.1	-67.5	-13	0	0	0	110.4	S195 I197 A227	D191-S195 WeakPolarHBondContact OD2-CB 3.31Å; D191-S195 PolarHBondContact OD2-OG 3.26Å; D191-I197 HydrophobicContact CB-CB 4.27Å; D191-I197 PolarHBondContact N-O 2.97Å; D191-A227 WeakPolarHBondContact O-CA 3.18Å
192	A	79.9	Confident	86	Confident	21 Å²	21	33.7 Å²	33.7	17%	0.174	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-61.2	164	170.4	0	0	0	0	0	112.5	M112 S195 H226	M112-A192 HydrophobicContact CB-CB 3.72Å; M112-A192 HydrophobicContact CE-CB 4.13Å; A192-S195 PolarHBondContact O-N 3.42Å; A192-H226 WeakPolarHBondContact CA-O 3.4Å
193	P	82	Confident	86.9	Confident	23 Å²	23	36.1 Å²	36.1	15%	0.149	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	141.6	170.8	-23.1	31.2	0	0	0	111.6	W115 A227 G229	W115-P193 HydrophobicContact CD2-CB 4.01Å; W115-P193 HydrophobicContact CD2-CG 4.45Å; W115-P193 HydrophobicContact CG-CB 4.16Å; W115-P193 HydrophobicContact CG-CG 4.26Å; W115-P193 HydrophobicContact CZ2-CB 4.32Å; P193-A227 WeakPolarHBondContact CG-O 3.41Å; P193-G229 VanDerWaalsContact CD-CA 3.45Å
194	E	78.6	Confident	87.4	Confident	128 Å²	128	28.7 Å²	28.7	60%	0.598	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	cis	-100.2	14.7	7.4	-60.9	-173.3	174.7	0	0	113.9	W115	W115-E194 HydrophobicContact CE3-CB 4.36Å; W115-E194 HydrophobicContact CE3-CG 4.23Å; W115-E194 VanDerWaalsContact CH2-C 3.5Å; W115-E194 HydrophobicContact CH2-CB 4.18Å; W115-E194 WeakPolarHBondContact CH2-O 3.34Å; W115-E194 HydrophobicContact CZ3-CB 3.81Å; W115-E194 HydrophobicContact CZ3-CG 4.17Å
195	S	80.8	Confident	88.3	Confident	39 Å²	39	30.9 Å²	30.9	27%	0.273	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-47.9	178.7	178.6	0	0	0	0	111.8	K166 D191 A192 I197	K166-S195 PolarHBondContact NZ-O 3.09Å; D191-S195 WeakPolarHBondContact OD2-CB 3.31Å; D191-S195 PolarHBondContact OD2-OG 3.26Å; A192-S195 PolarHBondContact O-N 3.42Å; S195-I197 PolarHBondContact O-N 3.43Å; S195-I197 WeakPolarHBondContact OG-CD1 3.44Å; S195-I197 WeakPolarHBondContact OG-CG1 3.32Å
196	G	80	Confident	89	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.142	C	C	.	.			trans	63	20.9	175.9	0	0	0	0	0	114.6	I165 K166	I165-G196 CarbonylContact C-O 3.45Å; I165-G196 WeakPolarHBondContact CA-O 3.39Å; I165-G196 WeakPolarHBondContact CG2-O 3.21Å; K166-G196 PolarHBondContact N-O 2.96Å
197	I	84.4	Confident	89.3	Confident	43 Å²	43	26.6 Å²	26.6	22%	0.221	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	134.6	179.1	-66.2	174.3	0	0	0	108.7	K166 A190 D191 S195 H199	K166-I197 HydrophobicContact CD-CG1 4.35Å; A190-I197 CarbonylContact C-O 3.49Å; A190-I197 WeakPolarHBondContact CA-O 3.37Å; A190-I197 WeakPolarHBondContact CB-O 3.43Å; D191-I197 HydrophobicContact CB-CB 4.27Å; D191-I197 PolarHBondContact N-O 2.97Å; S195-I197 PolarHBondContact O-N 3.43Å; S195-I197 WeakPolarHBondContact OG-CD1 3.44Å; S195-I197 WeakPolarHBondContact OG-CG1 3.32Å; I197-H199 VanDerWaalsContact CG2-CE1 3.47Å; I197-H199 WeakPolarHBondContact CG2-CE1 3.49Å; I197-H199 WeakPolarHBondContact CG2-NE2 3.47Å
198	V	94.3	Very high	89.2	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	117.8	175.8	177.8	0	0	0	0	107.8	I165 K166 I167 S168 A190 F200 E223 A227	I165-V198 HydrophobicContact CG2-CG2 3.98Å; K166-V198 PolarHBondContact O-N 3.01Å; I167-V198 WeakPolarHBondContact CA-O 3.15Å; I167-V198 HydrophobicContact CG1-CB 4.07Å; S168-V198 PolarHBondContact N-O 3.36Å; S168-V198 VanDerWaalsContact N-O 3.14Å; A190-V198 HydrophobicContact CB-CB 4.38Å; A190-V198 HydrophobicContact CB-CG2 3.85Å; V198-F200 HydrophobicContact CG1-CD2 4.35Å; V198-F200 HydrophobicContact CG1-CE2 3.57Å; V198-F200 HydrophobicContact CG1-CZ 3.7Å; V198-E223 HydrophobicContact CG1-CB 3.6Å; V198-E223 HydrophobicContact CG1-CG 4.29Å; V198-A227 HydrophobicContact CG2-CB 3.78Å
199	H	89.9	Confident	89	Confident	23 Å²	23	30.9 Å²	30.9	11%	0.106	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	136.3	179.3	-64.3	166.7	0	0	0	110.7	S168 H170 C176 F180 A188 H189 I197	S168-H199 VanDerWaalsContact O-CA 3.32Å; S168-H199 WeakPolarHBondContact O-CA 3.37Å; S168-H199 PolarHBondContact OG-CD2 3.21Å; S168-H199 PolarHBondContact OG-NE2 3.36Å; H170-H199 AromaticContact CD2-CD2 3.61Å; H170-H199 AromaticContact CD2-CG 3.54Å; H170-H199 AromaticContact CD2-ND1 3.81Å; H170-H199 AromaticContact CD2-NE2 3.89Å; H170-H199 AromaticContact NE2-CD2 3.34Å; H170-H199 PolarHBondContact NE2-CD2 2.85Å; H170-H199 VanDerWaalsContact NE2-CD2 3.34Å; H170-H199 AromaticContact NE2-CE1 3.56Å; H170-H199 AromaticContact NE2-CG 3.71Å; H170-H199 AromaticContact NE2-ND1 3.83Å; H170-H199 AromaticContact NE2-NE2 3.22Å; H170-H199 PolarHBondContact NE2-NE2 2.75Å; C176-H199 PolarHBondContact SG-ND1 2.85Å; F180-H199 HydrophobicContact CE2-CB 4.14Å; F180-H199 HydrophobicContact CZ-CB 3.81Å; A188-H199 WeakPolarHBondContact CA-O 3.15Å; A188-H199 VanDerWaalsContact CB-O 3.23Å; A188-H199 WeakPolarHBondContact CB-O 3.47Å; H189-H199 PolarHBondContact N-O 3.01Å; H189-H199 AromaticContact NE2-CG 3.91Å; H189-H199 AromaticContact NE2-ND1 3.59Å; H189-H199 PolarHBondContact O-N 3.43Å; I197-H199 VanDerWaalsContact CG2-CE1 3.47Å; I197-H199 WeakPolarHBondContact CG2-CE1 3.49Å; I197-H199 WeakPolarHBondContact CG2-NE2 3.47Å
200	F	95.8	Very high	89.1	Confident	1 Å²	1	36.1 Å²	36.1	0%	0.004	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	141.3	174	-63	-84	0	0	0	109.7	I167 S168 F169 H170 F180 A188 V198 E202 W206 L216 V219 A220 E223	I167-F200 HydrophobicContact CG2-CD2 4.13Å; I167-F200 HydrophobicContact CG2-CE2 3.65Å; S168-F200 PolarHBondContact O-N 2.72Å; F169-F200 WeakPolarHBondContact CA-O 3.49Å; F169-F200 HydrophobicContact CD1-CB 3.49Å; F169-F200 VanDerWaalsContact CD1-CB 3.49Å; F169-F200 HydrophobicContact CD1-CD2 4.37Å; F169-F200 HydrophobicContact CD1-CG 4.17Å; F169-F200 HydrophobicContact CE1-CB 3.69Å; F169-F200 HydrophobicContact CE1-CD2 4.02Å; F169-F200 AromaticContact CE1-CG 3.89Å; F169-F200 HydrophobicContact CE1-CG 3.89Å; F169-F200 HydrophobicContact CE2-CD2 4.4Å; F169-F200 HydrophobicContact CG-CB 4.16Å; F169-F200 HydrophobicContact CZ-CD2 4.02Å; F169-F200 HydrophobicContact CZ-CG 4.34Å; H170-F200 PolarHBondContact N-O 3.44Å; F180-F200 WeakPolarHBondContact CE2-O 3.39Å; A188-F200 HydrophobicContact CB-CD1 3.74Å; A188-F200 HydrophobicContact CB-CE1 4.16Å; A188-F200 HydrophobicContact CB-CG 4.42Å; V198-F200 HydrophobicContact CG1-CD2 4.35Å; V198-F200 HydrophobicContact CG1-CE2 3.57Å; V198-F200 HydrophobicContact CG1-CZ 3.7Å; F200-E202 PolarHBondContact O-N 3.48Å; F200-W206 HydrophobicContact CB-CH2 4.34Å; F200-W206 HydrophobicContact CB-CZ2 3.74Å; F200-W206 AromaticContact CD1-CH2 3.79Å; F200-W206 HydrophobicContact CD1-CH2 3.79Å; F200-W206 HydrophobicContact CD1-CZ2 4.05Å; F200-W206 HydrophobicContact CD1-CZ3 4.37Å; F200-W206 HydrophobicContact CG-CZ2 4.36Å; F200-L216 HydrophobicContact CD1-CD1 3.91Å; F200-L216 HydrophobicContact CE1-CD1 3.93Å; F200-L216 HydrophobicContact CG-CD1 4.32Å; F200-L216 HydrophobicContact CZ-CD1 4.34Å; F200-V219 HydrophobicContact CD1-CG1 4.22Å; F200-V219 HydrophobicContact CE1-CB 4.49Å; F200-V219 HydrophobicContact CE1-CG1 4.05Å; F200-A220 HydrophobicContact CE1-CB 3.87Å; F200-A220 HydrophobicContact CZ-CB 3.53Å; F200-E223 HydrophobicContact CE1-CG 4.28Å
201	D	94.2	Very high	88.9	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	114.7	173.4	-171.6	-3.3	0	0	0	110	H170 F180 L187 D203 E204 W206	H170-D201 CarbonylContact O-C 3.6Å; H170-D201 WeakPolarHBondContact O-CA 3.35Å; F180-D201 HydrophobicContact CB-CB 4.06Å; F180-D201 WeakPolarHBondContact CB-OD2 3.42Å; F180-D201 HydrophobicContact CD1-CB 3.79Å; F180-D201 HydrophobicContact CD2-CB 3.85Å; F180-D201 HydrophobicContact CE1-CB 4.18Å; F180-D201 HydrophobicContact CE2-CB 4.21Å; F180-D201 HydrophobicContact CG-CB 3.63Å; F180-D201 HydrophobicContact CZ-CB 4.37Å; L187-D201 PolarHBondContact O-N 3.08Å; D201-D203 VanDerWaalsContact C-N 3.26Å; D201-D203 PolarHBondContact O-N 3Å; D201-D203 WeakPolarHBondContact OD1-CB 3.24Å; D201-D203 PolarHBondContact OD1-N 2.98Å; D201-E204 HydrophobicContact CB-CG 3.99Å; D201-E204 WeakPolarHBondContact O-CB 3.25Å; D201-E204 PolarHBondContact O-N 3.08Å; D201-W206 VanDerWaalsContact O-CE2 3.29Å; D201-W206 VanDerWaalsContact O-CZ2 3.27Å; D201-W206 WeakPolarHBondContact O-CZ2 3.21Å; D201-W206 PolarHBondContact O-NE1 2.58Å
202	E	94	Very high	89.2	Confident	35 Å²	35	41.5 Å²	41.5	16%	0.164	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-9.1	178.7	-166.2	62.3	-112.2	0	0	112.7	T128 P129 F169 H170 T171 F200 E204	T128-E202 WeakPolarHBondContact CA-OE1 3.26Å; T128-E202 WeakPolarHBondContact CA-OE2 3.18Å; T128-E202 WeakPolarHBondContact CB-OE1 3.22Å; T128-E202 VanDerWaalsContact CB-OE2 3.31Å; T128-E202 WeakPolarHBondContact CB-OE2 3.3Å; T128-E202 PolarHBondContact OG1-OE1 2.98Å; P129-E202 WeakPolarHBondContact CD-OE1 3.41Å; F169-E202 HydrophobicContact CB-CB 4.23Å; F169-E202 HydrophobicContact CB-CG 4.48Å; F169-E202 WeakPolarHBondContact CB-OE2 3.22Å; F169-E202 WeakPolarHBondContact CD1-OE2 3.29Å; F169-E202 WeakPolarHBondContact CG-OE2 2.9Å; H170-E202 PolarHBondContact O-N 2.89Å; T171-E202 HydrophobicContact CG2-CB 3.93Å; T171-E202 HydrophobicContact CG2-CG 4.38Å; F200-E202 PolarHBondContact O-N 3.48Å; E202-E204 PolarHBondContact O-N 2.6Å
203	D	93.3	Very high	89.8	Confident	61 Å²	61	42 Å²	42	33%	0.326	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-9.6	171	-65.5	-35.1	0	0	0	112	K172 R183 D201	K172-D203 WeakPolarHBondContact CB-OD2 3.34Å; K172-D203 PolarHBondContact N-OD2 2.99Å; K172-D203 VanDerWaalsContact N-OD2 3.14Å; R183-D203 WeakPolarHBondContact CB-O 3.37Å; D201-D203 VanDerWaalsContact C-N 3.26Å; D201-D203 PolarHBondContact O-N 3Å; D201-D203 WeakPolarHBondContact OD1-CB 3.24Å; D201-D203 PolarHBondContact OD1-N 2.98Å
204	E	95.1	Very high	90.5	Very high	9 Å²	9	41.2 Å²	41.2	4%	0.042	24%	0.241	C	C	.	.	S	Bend	trans	-77.5	151.6	173.4	-66.2	-63.1	165	0	0	113.2	R183 G184 L187 D201 E202 W206	R183-E204 WeakPolarHBondContact CA-OE1 3.29Å; G184-E204 PolarHBondContact N-OE1 3.21Å; G184-E204 PolarHBondContact N-OE2 2.97Å; L187-E204 VanDerWaalsContact CD2-CD 3.45Å; L187-E204 HydrophobicContact CD2-CG 3.8Å; L187-E204 WeakPolarHBondContact CD2-OE1 3.01Å; D201-E204 HydrophobicContact CB-CG 3.99Å; D201-E204 WeakPolarHBondContact O-CB 3.25Å; D201-E204 PolarHBondContact O-N 3.08Å; E202-E204 PolarHBondContact O-N 2.6Å; E204-W206 HydrophobicContact CB-CD2 4.49Å; E204-W206 HydrophobicContact CB-CZ2 3.99Å; E204-W206 HydrophobicContact CG-CZ2 4.31Å; E204-W206 PolarHBondContact O-N 2.76Å
205	L	95.4	Very high	91.3	Very high	70 Å²	70	35.1 Å²	35.1	37%	0.366	21%	0.212	S	C	.	.			trans	-84.6	100.1	169.1	177.8	64.8	0	0	0	109.9	D130 T207 S214	D130-L205 WeakPolarHBondContact OD2-CA 3.26Å; L205-T207 HydrophobicContact CG-CG2 4.13Å; L205-S214 PolarHBondContact O-N 2.72Å
206	W	97.3	Very high	92.1	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.008	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	123.1	-179.5	-67.5	106.3	0	0	0	111.7	T128 D130 L131 L187 F200 D201 E204 S214 L216 V219	T128-W206 HydrophobicContact CG2-CB 4.03Å; T128-W206 HydrophobicContact CG2-CG 4.22Å; D130-W206 HydrophobicContact CB-CB 4.21Å; D130-W206 WeakPolarHBondContact CB-O 3.49Å; D130-W206 PolarHBondContact OD2-N 2.8Å; L131-W206 HydrophobicContact CD1-CB 4.34Å; L131-W206 HydrophobicContact CG-CB 4.48Å; L187-W206 HydrophobicContact CB-CH2 4.31Å; L187-W206 WeakPolarHBondContact O-CH2 3.36Å; L187-W206 WeakPolarHBondContact O-CZ2 3.22Å; F200-W206 HydrophobicContact CB-CH2 4.34Å; F200-W206 HydrophobicContact CB-CZ2 3.74Å; F200-W206 AromaticContact CD1-CH2 3.79Å; F200-W206 HydrophobicContact CD1-CH2 3.79Å; F200-W206 HydrophobicContact CD1-CZ2 4.05Å; F200-W206 HydrophobicContact CD1-CZ3 4.37Å; F200-W206 HydrophobicContact CG-CZ2 4.36Å; D201-W206 VanDerWaalsContact O-CE2 3.29Å; D201-W206 VanDerWaalsContact O-CZ2 3.27Å; D201-W206 WeakPolarHBondContact O-CZ2 3.21Å; D201-W206 PolarHBondContact O-NE1 2.58Å; E204-W206 HydrophobicContact CB-CD2 4.49Å; E204-W206 HydrophobicContact CB-CZ2 3.99Å; E204-W206 HydrophobicContact CG-CZ2 4.31Å; E204-W206 PolarHBondContact O-N 2.76Å; W206-S214 WeakPolarHBondContact CA-O 3.49Å; W206-L216 HydrophobicContact CD2-CD1 4.15Å; W206-L216 HydrophobicContact CE3-CB 3.86Å; W206-L216 HydrophobicContact CE3-CD1 3.81Å; W206-L216 HydrophobicContact CE3-CG 4.44Å; W206-L216 HydrophobicContact CZ3-CD1 4.08Å; W206-V219 HydrophobicContact CH2-CB 4.29Å; W206-V219 HydrophobicContact CH2-CG1 4.01Å; W206-V219 HydrophobicContact CH2-CG2 4.44Å; W206-V219 HydrophobicContact CZ3-CB 3.93Å; W206-V219 HydrophobicContact CZ3-CG1 4.17Å; W206-V219 HydrophobicContact CZ3-CG2 3.94Å
207	T	96.8	Very high	93	Very high	10 Å²	10	34.9 Å²	34.9	6%	0.061	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	159.8	-179.4	70.6	0	0	0	0	112.1	L205 S212 S214 N215 L216	L205-T207 HydrophobicContact CG-CG2 4.13Å; T207-S212 VanDerWaalsContact CG2-O 3.28Å; T207-S212 WeakPolarHBondContact CG2-O 3.23Å; T207-S212 PolarHBondContact OG1-O 3.03Å; T207-S214 PolarHBondContact N-O 3.49Å; T207-N215 VanDerWaalsContact O-CA 3.29Å; T207-N215 WeakPolarHBondContact O-CA 3.2Å; T207-N215 PolarHBondContact O-ND2 2.82Å; T207-L216 PolarHBondContact O-N 3.09Å
208	E	94.2	Very high	93.5	Very high	52 Å²	52	33.1 Å²	33.1	24%	0.243	20%	0.197	C	C	.	.	S	Bend	trans	-132	127.3	170.4	-174.4	59.5	-171	0	0	110.6	L131 K210 N215 R217	L131-E208 HydrophobicContact CD1-CB 4.41Å; L131-E208 HydrophobicContact CD2-CB 4.16Å; E208-K210 VanDerWaalsContact C-N 3.33Å; E208-K210 PolarHBondContact O-N 3.06Å; E208-N215 WeakPolarHBondContact CA-ND2 3.42Å; E208-N215 PolarHBondContact OE2-ND2 3.39Å; E208-N215 PolarHBondContact OE2-OD1 2.94Å; E208-R217 WeakPolarHBondContact OE1-CD 3.33Å; E208-R217 IonicContact OE1-CZ 2.62Å; E208-R217 VanDerWaalsContact OE1-CZ 3.26Å; E208-R217 IonicContact OE1-NE 3.65Å; E208-R217 PolarHBondContact OE1-NE 3.2Å; E208-R217 IonicContact OE1-NH1 2.64Å; E208-R217 PolarHBondContact OE1-NH1 3.34Å; E208-R217 VanDerWaalsContact OE2-CB 3.25Å; E208-R217 WeakPolarHBondContact OE2-CB 3.47Å
209	G	87.8	Confident	93.7	Very high	40 Å²	40	33.4 Å²	33.4	41%	0.412	20%	0.198	S	C	.	.	S	Bend	trans	78.3	10.3	178.1	0	0	0	0	0	115.7	N215 Y247	G209-N215 PolarHBondContact N-ND2 3.26Å; G209-Y247 VanDerWaalsContact CA-CZ 3.48Å
210	K	88.4	Confident	94.1	Very high	127 Å²	127	32.3 Å²	32.3	55%	0.552	19%	0.193	S	C	*	.			trans	-121.1	146	-174.8	-62	-178.8	-177.8	177.8	0	111.2	E208 S212 Y247	E208-K210 VanDerWaalsContact C-N 3.33Å; E208-K210 PolarHBondContact O-N 3.06Å; K210-S212 VanDerWaalsContact C-N 3.32Å; K210-Y247 WeakPolarHBondContact O-CB 3.15Å
211	S	84.1	Confident	94.2	Very high	111 Å²	111	32.3 Å²	32.3	78%	0.776	19%	0.193	S	C	*	.	S	Bend	trans	-77.8	-17.1	173.3	51.7	0	0	0	0	113.5
212	S	87.9	Confident	94.4	Very high	76 Å²	76	32.9 Å²	32.9	53%	0.531	20%	0.196	S	C	.	.	S	Bend	trans	-93.2	148.9	173.6	57.4	0	0	0	0	111.9	T207 K210	T207-S212 VanDerWaalsContact CG2-O 3.28Å; T207-S212 WeakPolarHBondContact CG2-O 3.23Å; T207-S212 PolarHBondContact OG1-O 3.03Å; K210-S212 VanDerWaalsContact C-N 3.32Å
213	G	92.1	Very high	94.6	Very high	32 Å²	32	31.3 Å²	31.3	33%	0.33	19%	0.189	S	C	.	.	S	Bend	trans	71.5	-169.3	-174.5	0	0	0	0	0	113.2
214	S	95.6	Very high	94.9	Very high	6 Å²	6	28.5 Å²	28.5	4%	0.042	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	114.7	-175.8	-62	0	0	0	0	109	L187 L205 W206 T207 L216	L187-S214 VanDerWaalsContact CD2-OG 3.3Å; L187-S214 WeakPolarHBondContact CD2-OG 3.41Å; L205-S214 PolarHBondContact O-N 2.72Å; W206-S214 WeakPolarHBondContact CA-O 3.49Å; T207-S214 PolarHBondContact N-O 3.49Å; S214-L216 PolarHBondContact O-N 3.39Å; S214-L216 VanDerWaalsContact O-N 3.17Å
215	N	97	Very high	95	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	109.1	-175.7	-179	-98.7	0	0	0	110.2	T207 E208 G209 R217 I218 V219 Y244 Y247	T207-N215 VanDerWaalsContact O-CA 3.29Å; T207-N215 WeakPolarHBondContact O-CA 3.2Å; T207-N215 PolarHBondContact O-ND2 2.82Å; E208-N215 WeakPolarHBondContact CA-ND2 3.42Å; E208-N215 PolarHBondContact OE2-ND2 3.39Å; E208-N215 PolarHBondContact OE2-OD1 2.94Å; G209-N215 PolarHBondContact N-ND2 3.26Å; N215-R217 VanDerWaalsContact C-N 3.27Å; N215-R217 PolarHBondContact O-N 3.2Å; N215-R217 WeakPolarHBondContact OD1-CB 3.35Å; N215-R217 PolarHBondContact OD1-N 3.28Å; N215-I218 HydrophobicContact CB-CB 4.42Å; N215-I218 HydrophobicContact CB-CG1 4.39Å; N215-I218 PolarHBondContact O-N 3.13Å; N215-I218 VanDerWaalsContact O-N 3.11Å; N215-I218 WeakPolarHBondContact OD1-CG1 3.49Å; N215-I218 PolarHBondContact OD1-N 3.32Å; N215-V219 PolarHBondContact O-N 3.38Å; N215-V219 VanDerWaalsContact O-N 3.08Å; N215-Y244 VanDerWaalsContact CB-OH 3.26Å; N215-Y244 WeakPolarHBondContact CB-OH 3.25Å; N215-Y244 PolarHBondContact N-OH 2.98Å; N215-Y247 HydrophobicContact CB-CD2 4.11Å; N215-Y247 VanDerWaalsContact CG-CD2 3.46Å; N215-Y247 WeakPolarHBondContact ND2-CD2 3.47Å
216	L	97.8	Very high	94.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-57.9	-40.2	-172.9	179	61.9	0	0	0	111.9	T128 L131 T136 A139 F169 F200 W206 T207 S214 I218 A220	T128-L216 HydrophobicContact CG2-CD2 4.4Å; L131-L216 HydrophobicContact CD1-CB 3.99Å; L131-L216 HydrophobicContact CD1-CD2 3.78Å; T136-L216 HydrophobicContact CG2-CD2 3.83Å; A139-L216 HydrophobicContact CB-CB 4.39Å; A139-L216 HydrophobicContact CB-CD2 4.06Å; A139-L216 HydrophobicContact CB-CG 4.19Å; F169-L216 HydrophobicContact CE1-CD1 3.83Å; F169-L216 HydrophobicContact CE1-CD2 4.39Å; F169-L216 HydrophobicContact CZ-CD1 3.96Å; F169-L216 HydrophobicContact CZ-CD2 4.07Å; F200-L216 HydrophobicContact CD1-CD1 3.91Å; F200-L216 HydrophobicContact CE1-CD1 3.93Å; F200-L216 HydrophobicContact CG-CD1 4.32Å; F200-L216 HydrophobicContact CZ-CD1 4.34Å; W206-L216 HydrophobicContact CD2-CD1 4.15Å; W206-L216 HydrophobicContact CE3-CB 3.86Å; W206-L216 HydrophobicContact CE3-CD1 3.81Å; W206-L216 HydrophobicContact CE3-CG 4.44Å; W206-L216 HydrophobicContact CZ3-CD1 4.08Å; T207-L216 PolarHBondContact O-N 3.09Å; S214-L216 PolarHBondContact O-N 3.39Å; S214-L216 VanDerWaalsContact O-N 3.17Å; L216-I218 PolarHBondContact O-N 3.07Å; L216-A220 WeakPolarHBondContact O-CB 3.25Å; L216-A220 PolarHBondContact O-N 3.15Å
217	R	96.9	Very high	94.8	Very high	34 Å²	34	24.7 Å²	24.7	13%	0.128	15%	0.154	C	C	.	.	H	α-helix	trans	-62.2	-40.9	179.9	178.9	-179.3	71.6	-161.3	19.6	112.8	A139 T142 Y146 E208 N215 A221 Y247	A139-R217 HydrophobicContact CB-CB 4.09Å; T142-R217 HydrophobicContact CG2-CG 4.3Å; Y146-R217 HydrophobicContact CE2-CG 4Å; Y146-R217 WeakPolarHBondContact OH-CD 3.44Å; Y146-R217 PolarHBondContact OH-NE 2.55Å; E208-R217 WeakPolarHBondContact OE1-CD 3.33Å; E208-R217 IonicContact OE1-CZ 2.62Å; E208-R217 VanDerWaalsContact OE1-CZ 3.26Å; E208-R217 IonicContact OE1-NE 3.65Å; E208-R217 PolarHBondContact OE1-NE 3.2Å; E208-R217 IonicContact OE1-NH1 2.64Å; E208-R217 PolarHBondContact OE1-NH1 3.34Å; E208-R217 VanDerWaalsContact OE2-CB 3.25Å; E208-R217 WeakPolarHBondContact OE2-CB 3.47Å; N215-R217 VanDerWaalsContact C-N 3.27Å; N215-R217 PolarHBondContact O-N 3.2Å; N215-R217 WeakPolarHBondContact OD1-CB 3.35Å; N215-R217 PolarHBondContact OD1-N 3.28Å; R217-A221 VanDerWaalsContact O-CB 3.31Å; R217-A221 WeakPolarHBondContact O-CB 3.49Å; R217-A221 PolarHBondContact O-N 2.8Å; R217-A221 VanDerWaalsContact O-N 3.11Å; R217-Y247 PolarHBondContact NH2-OH 3.48Å
218	I	96.7	Very high	94.8	Very high	7 Å²	7	24.2 Å²	24.2	4%	0.036	15%	0.151	C	C	.	.	H	α-helix	trans	-71.6	-48.1	179.4	-64.9	-47.4	0	0	0	110.7	N215 L216 A220 A221 H222 L239 Y244 F251	N215-I218 HydrophobicContact CB-CB 4.42Å; N215-I218 HydrophobicContact CB-CG1 4.39Å; N215-I218 PolarHBondContact O-N 3.13Å; N215-I218 VanDerWaalsContact O-N 3.11Å; N215-I218 WeakPolarHBondContact OD1-CG1 3.49Å; N215-I218 PolarHBondContact OD1-N 3.32Å; L216-I218 PolarHBondContact O-N 3.07Å; I218-A220 PolarHBondContact O-N 3.31Å; I218-A221 WeakPolarHBondContact O-CB 3.33Å; I218-A221 PolarHBondContact O-N 2.82Å; I218-H222 PolarHBondContact O-N 3.24Å; I218-H222 VanDerWaalsContact O-N 3.13Å; I218-L239 HydrophobicContact CG2-CD1 4.16Å; I218-Y244 HydrophobicContact CB-CE2 4.28Å; I218-Y244 HydrophobicContact CG2-CD2 4.4Å; I218-Y244 HydrophobicContact CG2-CE2 3.96Å; I218-F251 HydrophobicContact CD1-CB 3.91Å; I218-F251 HydrophobicContact CD1-CD1 3.93Å; I218-F251 HydrophobicContact CD1-CD2 3.36Å; I218-F251 HydrophobicContact CD1-CE1 4.32Å; I218-F251 HydrophobicContact CD1-CE2 3.82Å; I218-F251 HydrophobicContact CD1-CG 3.42Å; I218-F251 VanDerWaalsContact CD1-CG 3.42Å; I218-F251 HydrophobicContact CD1-CZ 4.27Å
219	V	97.9	Very high	94.5	Very high	6 Å²	6	21.7 Å²	21.7	4%	0.036	14%	0.139	C	C	.	.	H	α-helix	trans	-62.8	-45.6	179.4	-177.9	0	0	0	0	110.2	L187 A188 F200 W206 N215 A221 H222 E223 Y244	L187-V219 HydrophobicContact CB-CG1 4.1Å; L187-V219 HydrophobicContact CD1-CG2 3.79Å; A188-V219 HydrophobicContact CB-CG1 3.68Å; F200-V219 HydrophobicContact CD1-CG1 4.22Å; F200-V219 HydrophobicContact CE1-CB 4.49Å; F200-V219 HydrophobicContact CE1-CG1 4.05Å; W206-V219 HydrophobicContact CH2-CB 4.29Å; W206-V219 HydrophobicContact CH2-CG1 4.01Å; W206-V219 HydrophobicContact CH2-CG2 4.44Å; W206-V219 HydrophobicContact CZ3-CB 3.93Å; W206-V219 HydrophobicContact CZ3-CG1 4.17Å; W206-V219 HydrophobicContact CZ3-CG2 3.94Å; N215-V219 PolarHBondContact O-N 3.38Å; N215-V219 VanDerWaalsContact O-N 3.08Å; V219-A221 VanDerWaalsContact C-N 3.27Å; V219-A221 PolarHBondContact O-N 2.97Å; V219-H222 WeakPolarHBondContact O-CB 3.26Å; V219-H222 PolarHBondContact O-N 2.79Å; V219-H222 VanDerWaalsContact O-N 3.07Å; V219-E223 HydrophobicContact CG1-CG 4.35Å; V219-E223 WeakPolarHBondContact O-CG 3.43Å; V219-E223 PolarHBondContact O-N 2.91Å; V219-Y244 HydrophobicContact CG2-CD2 3.98Å; V219-Y244 HydrophobicContact CG2-CE2 3.9Å
220	A	98.4	Very high	94.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-60.6	-36.8	176.4	0	0	0	0	0	112.8	I140 A143 F200 L216 I218 H222 E223 I224	I140-A220 HydrophobicContact CG1-CB 4.46Å; A143-A220 HydrophobicContact CB-CB 3.94Å; F200-A220 HydrophobicContact CE1-CB 3.87Å; F200-A220 HydrophobicContact CZ-CB 3.53Å; L216-A220 WeakPolarHBondContact O-CB 3.25Å; L216-A220 PolarHBondContact O-N 3.15Å; I218-A220 PolarHBondContact O-N 3.31Å; A220-H222 VanDerWaalsContact C-N 3.31Å; A220-H222 PolarHBondContact O-N 2.79Å; A220-E223 PolarHBondContact O-N 3.38Å; A220-I224 VanDerWaalsContact O-CB 3.28Å; A220-I224 WeakPolarHBondContact O-CB 3.47Å; A220-I224 VanDerWaalsContact O-CD1 3.3Å; A220-I224 WeakPolarHBondContact O-CD1 3.42Å; A220-I224 WeakPolarHBondContact O-CG1 3.38Å; A220-I224 PolarHBondContact O-N 3.44Å
221	A	98.3	Very high	94.9	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63.5	-40.3	176.5	0	0	0	0	0	111.5	A143 Y146 W147 R217 I218 V219 G225 L239	A143-A221 HydrophobicContact CB-CB 3.92Å; Y146-A221 HydrophobicContact CD2-CB 3.78Å; Y146-A221 HydrophobicContact CE2-CB 4.3Å; W147-A221 WeakPolarHBondContact CZ2-O 3.47Å; W147-A221 PolarHBondContact NE1-O 3.1Å; R217-A221 VanDerWaalsContact O-CB 3.31Å; R217-A221 WeakPolarHBondContact O-CB 3.49Å; R217-A221 PolarHBondContact O-N 2.8Å; R217-A221 VanDerWaalsContact O-N 3.11Å; I218-A221 WeakPolarHBondContact O-CB 3.33Å; I218-A221 PolarHBondContact O-N 2.82Å; V219-A221 VanDerWaalsContact C-N 3.27Å; V219-A221 PolarHBondContact O-N 2.97Å; A221-G225 PolarHBondContact O-N 3.46Å; A221-L239 HydrophobicContact CB-CD1 4.15Å; A221-L239 HydrophobicContact CB-CD2 3.6Å; A221-L239 HydrophobicContact CB-CG 4.48Å
222	H	98	Very high	95.2	Very high	13 Å²	13	8.9 Å²	8.9	6%	0.06	6%	0.059	C	C	.	.	H	α-helix	trans	-61.9	-54.6	175.2	-178.9	107.9	0	0	0	111.1	C96 I218 V219 A220 I224 G225 H226 H232 L239 M240 G241	C96-H222 WeakPolarHBondContact CB-NE2 3.27Å; I218-H222 PolarHBondContact O-N 3.24Å; I218-H222 VanDerWaalsContact O-N 3.13Å; V219-H222 WeakPolarHBondContact O-CB 3.26Å; V219-H222 PolarHBondContact O-N 2.79Å; V219-H222 VanDerWaalsContact O-N 3.07Å; A220-H222 VanDerWaalsContact C-N 3.31Å; A220-H222 PolarHBondContact O-N 2.79Å; H222-I224 VanDerWaalsContact C-N 3.3Å; H222-I224 PolarHBondContact O-N 2.88Å; H222-G225 VanDerWaalsContact O-CA 3.31Å; H222-G225 WeakPolarHBondContact O-CA 3.45Å; H222-G225 PolarHBondContact O-N 3.13Å; H222-H226 AromaticContact CD2-CD2 3.68Å; H222-H226 AromaticContact CD2-NE2 3.58Å; H222-H226 AromaticContact NE2-CD2 3.66Å; H222-H226 AromaticContact NE2-CE1 3.99Å; H222-H226 AromaticContact NE2-NE2 3.04Å; H222-H226 PolarHBondContact NE2-NE2 2.75Å; H222-H226 PolarHBondContact O-N 2.62Å; H222-H232 AromaticContact CE1-CD2 3.5Å; H222-H232 PolarHBondContact CE1-CD2 3.17Å; H222-H232 VanDerWaalsContact CE1-CD2 3.5Å; H222-H232 AromaticContact CE1-NE2 3.61Å; H222-H232 AromaticContact NE2-CD2 3.45Å; H222-H232 PolarHBondContact NE2-CD2 2.96Å; H222-H232 AromaticContact NE2-NE2 3.2Å; H222-H232 PolarHBondContact NE2-NE2 3.29Å; H222-L239 HydrophobicContact CB-CD1 4.02Å; H222-L239 HydrophobicContact CB-CG 4.3Å; H222-L239 PolarHBondContact ND1-O 2.82Å; H222-M240 WeakPolarHBondContact O-CE 3.46Å; H222-M240 VanDerWaalsContact O-SD 3.34Å; H222-G241 PolarHBondContact CE1-O 3.18Å; H222-G241 PolarHBondContact ND1-O 3.06Å
223	E	97.9	Very high	95.1	Very high	2 Å²	2	5.2 Å²	5.2	1%	0.009	3%	0.033	C	C	.	.	H	α-helix	trans	-63.7	-35.1	-177.9	-59	-45.2	136.6	0	0	113.2	A188 H189 A190 V198 F200 V219 A220 G225 H226 A227	A188-E223 HydrophobicContact CB-CG 3.49Å; A188-E223 VanDerWaalsContact CB-CG 3.49Å; H189-E223 WeakPolarHBondContact CA-OE2 3.47Å; A190-E223 HydrophobicContact CB-CB 4.02Å; A190-E223 VanDerWaalsContact CB-O 3.3Å; A190-E223 WeakPolarHBondContact CB-O 3.32Å; A190-E223 PolarHBondContact N-OE2 3.24Å; V198-E223 HydrophobicContact CG1-CB 3.6Å; V198-E223 HydrophobicContact CG1-CG 4.29Å; F200-E223 HydrophobicContact CE1-CG 4.28Å; V219-E223 HydrophobicContact CG1-CG 4.35Å; V219-E223 WeakPolarHBondContact O-CG 3.43Å; V219-E223 PolarHBondContact O-N 2.91Å; A220-E223 PolarHBondContact O-N 3.38Å; E223-G225 PolarHBondContact O-N 2.91Å; E223-H226 WeakPolarHBondContact O-CB 3.22Å; E223-H226 PolarHBondContact O-N 3.18Å; E223-H226 IonicContact OE2-CD2 3.39Å; E223-A227 PolarHBondContact O-N 2.86Å
224	I	98.5	Very high	94.6	Very high	1 Å²	1	6.2 Å²	6.2	1%	0.005	3%	0.029	C	C	.	.	H	α-helix	trans	-63.4	-34.1	172.2	-69.8	163.9	0	0	0	110.3	A143 F144 W147 A220 H222 H226 A227 L228	A143-I224 HydrophobicContact CB-CD1 3.81Å; F144-I224 HydrophobicContact CD1-CD1 4.03Å; F144-I224 HydrophobicContact CD1-CG2 3.8Å; F144-I224 HydrophobicContact CD2-CD1 3.76Å; F144-I224 HydrophobicContact CE1-CD1 3.92Å; F144-I224 HydrophobicContact CE1-CG1 4.06Å; F144-I224 HydrophobicContact CE1-CG2 3.62Å; F144-I224 HydrophobicContact CE2-CD1 3.64Å; F144-I224 HydrophobicContact CE2-CG1 4.35Å; F144-I224 HydrophobicContact CG-CD1 3.95Å; F144-I224 HydrophobicContact CZ-CD1 3.72Å; F144-I224 HydrophobicContact CZ-CG1 3.95Å; F144-I224 HydrophobicContact CZ-CG2 4.37Å; W147-I224 VanDerWaalsContact CD1-CG2 3.46Å; W147-I224 HydrophobicContact CG-CG2 4.44Å; A220-I224 VanDerWaalsContact O-CB 3.28Å; A220-I224 WeakPolarHBondContact O-CB 3.47Å; A220-I224 VanDerWaalsContact O-CD1 3.3Å; A220-I224 WeakPolarHBondContact O-CD1 3.42Å; A220-I224 WeakPolarHBondContact O-CG1 3.38Å; A220-I224 PolarHBondContact O-N 3.44Å; H222-I224 VanDerWaalsContact C-N 3.3Å; H222-I224 PolarHBondContact O-N 2.88Å; I224-H226 VanDerWaalsContact C-N 3.32Å; I224-H226 PolarHBondContact O-N 3.07Å; I224-A227 CarbonylContact O-C 3.58Å; I224-A227 PolarHBondContact O-N 3.46Å; I224-L228 HydrophobicContact CG2-CD1 3.88Å; I224-L228 HydrophobicContact CG2-CG 4.19Å; I224-L228 WeakPolarHBondContact O-CB 3.23Å; I224-L228 WeakPolarHBondContact O-CG 3.29Å; I224-L228 PolarHBondContact O-N 2.79Å
225	G	97.4	Very high	94	Very high	0 Å²	0	10 Å²	10	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-57.7	-44.1	172.6	0	0	0	0	0	112.3	A221 H222 E223 L228 G229 L230	A221-G225 PolarHBondContact O-N 3.46Å; H222-G225 VanDerWaalsContact O-CA 3.31Å; H222-G225 WeakPolarHBondContact O-CA 3.45Å; H222-G225 PolarHBondContact O-N 3.13Å; E223-G225 PolarHBondContact O-N 2.91Å; G225-L228 CarbonylContact O-C 3.52Å; G225-L228 WeakPolarHBondContact O-CB 3.2Å; G225-L228 PolarHBondContact O-N 3.16Å; G225-G229 PolarHBondContact O-N 2.78Å; G225-G229 VanDerWaalsContact O-N 3.16Å; G225-L230 VanDerWaalsContact O-CB 3.31Å; G225-L230 WeakPolarHBondContact O-CB 3.4Å; G225-L230 WeakPolarHBondContact O-CG 3.4Å; G225-L230 PolarHBondContact O-N 3.49Å
226	H	93.8	Very high	93.2	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.005	6%	0.056	C	C	.	.	H	α-helix	trans	-62.9	-46.9	172.1	-70.6	-45.7	0	0	0	112.7	L98 A190 A192 H222 E223 I224 L228 G229 L230 H232 M240	L98-H226 HydrophobicContact CD2-CB 4.37Å; A190-H226 HydrophobicContact CB-CB 3.8Å; A192-H226 WeakPolarHBondContact CA-O 3.4Å; H222-H226 AromaticContact CD2-CD2 3.68Å; H222-H226 AromaticContact CD2-NE2 3.58Å; H222-H226 AromaticContact NE2-CD2 3.66Å; H222-H226 AromaticContact NE2-CE1 3.99Å; H222-H226 AromaticContact NE2-NE2 3.04Å; H222-H226 PolarHBondContact NE2-NE2 2.75Å; H222-H226 PolarHBondContact O-N 2.62Å; E223-H226 WeakPolarHBondContact O-CB 3.22Å; E223-H226 PolarHBondContact O-N 3.18Å; E223-H226 IonicContact OE2-CD2 3.39Å; I224-H226 VanDerWaalsContact C-N 3.32Å; I224-H226 PolarHBondContact O-N 3.07Å; H226-L228 PolarHBondContact O-N 3.45Å; H226-G229 WeakPolarHBondContact O-CA 3.46Å; H226-G229 PolarHBondContact O-N 3.47Å; H226-L230 WeakPolarHBondContact CA-O 3.25Å; H226-L230 PolarHBondContact ND1-O 3.33Å; H226-H232 AromaticContact CE1-CD2 3.45Å; H226-H232 PolarHBondContact CE1-CD2 2.99Å; H226-H232 VanDerWaalsContact CE1-CD2 3.45Å; H226-H232 AromaticContact CE1-NE2 3.67Å; H226-H232 AromaticContact NE2-CD2 3.43Å; H226-H232 PolarHBondContact NE2-CD2 3.39Å; H226-H232 AromaticContact NE2-NE2 3.22Å; H226-H232 PolarHBondContact NE2-NE2 2.86Å; H226-M240 VanDerWaalsContact CE1-CE 3.43Å; H226-M240 WeakPolarHBondContact CE1-CE 3.43Å; H226-M240 WeakPolarHBondContact ND1-CE 3.42Å
227	A	95.1	Very high	92.6	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-61.8	-16.9	175.3	0	0	0	0	0	113.3	W115 I165 D191 P193 V198 E223 I224	W115-A227 PolarHBondContact NE1-O 2.77Å; I165-A227 HydrophobicContact CD1-CB 4.39Å; I165-A227 HydrophobicContact CG1-CB 4.42Å; I165-A227 HydrophobicContact CG2-CB 4.26Å; D191-A227 WeakPolarHBondContact O-CA 3.18Å; P193-A227 WeakPolarHBondContact CG-O 3.41Å; V198-A227 HydrophobicContact CG2-CB 3.78Å; E223-A227 PolarHBondContact O-N 2.86Å; I224-A227 CarbonylContact O-C 3.58Å; I224-A227 PolarHBondContact O-N 3.46Å
228	L	96.3	Very high	92.1	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-5	171.9	-67	175.2	0	0	0	113.4	L120 W147 L153 F155 I165 I224 G225 H226 I261 L264 Y265	L120-L228 HydrophobicContact CD1-CD2 3.53Å; W147-L228 HydrophobicContact CB-CD1 3.81Å; W147-L228 HydrophobicContact CD2-CD1 4.18Å; W147-L228 HydrophobicContact CG-CD1 3.71Å; L153-L228 HydrophobicContact CD1-CD1 4Å; L153-L228 HydrophobicContact CD1-CD2 3.6Å; L153-L228 HydrophobicContact CD1-CG 4.34Å; F155-L228 HydrophobicContact CE1-CD2 3.91Å; F155-L228 HydrophobicContact CZ-CD1 3.95Å; F155-L228 HydrophobicContact CZ-CD2 3.96Å; I165-L228 HydrophobicContact CD1-CD2 4.31Å; I224-L228 HydrophobicContact CG2-CD1 3.88Å; I224-L228 HydrophobicContact CG2-CG 4.19Å; I224-L228 WeakPolarHBondContact O-CB 3.23Å; I224-L228 WeakPolarHBondContact O-CG 3.29Å; I224-L228 PolarHBondContact O-N 2.79Å; G225-L228 CarbonylContact O-C 3.52Å; G225-L228 WeakPolarHBondContact O-CB 3.2Å; G225-L228 PolarHBondContact O-N 3.16Å; H226-L228 PolarHBondContact O-N 3.45Å; L228-I261 HydrophobicContact CB-CD1 3.86Å; L228-I261 HydrophobicContact CD1-CD1 3.84Å; L228-I261 HydrophobicContact CG-CD1 4.44Å; L228-L264 WeakPolarHBondContact O-CD1 3.41Å; L228-Y265 HydrophobicContact CB-CE2 4.25Å; L228-Y265 VanDerWaalsContact O-CE2 3.29Å; L228-Y265 WeakPolarHBondContact O-CE2 3.37Å; L228-Y265 PolarHBondContact O-OH 3.17Å
229	G	88.8	Confident	92	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.7	12.2	173.1	0	0	0	0	0	115.3	M112 G113 P193 G225 H226	M112-G229 PolarHBondContact N-O 3.26Å; G113-G229 WeakPolarHBondContact O-CA 3.47Å; P193-G229 VanDerWaalsContact CD-CA 3.45Å; G225-G229 PolarHBondContact O-N 2.78Å; G225-G229 VanDerWaalsContact O-N 3.16Å; H226-G229 WeakPolarHBondContact O-CA 3.46Å; H226-G229 PolarHBondContact O-N 3.47Å
230	L	93.1	Very high	91.8	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.068	C	C	.	.	B	Isolated β-bridge	trans	-83.3	137.4	172.8	-53.9	174	0	0	0	110	Y109 W147 G225 H226 M240 G260 I261 L264	Y109-L230 HydrophobicContact CE1-CB 3.85Å; Y109-L230 HydrophobicContact CE1-CD2 3.55Å; Y109-L230 HydrophobicContact CE1-CG 4.19Å; Y109-L230 WeakPolarHBondContact OH-CB 3.47Å; Y109-L230 WeakPolarHBondContact OH-CD1 3.19Å; W147-L230 HydrophobicContact CE3-CD1 4.25Å; W147-L230 HydrophobicContact CH2-CD1 3.33Å; W147-L230 HydrophobicContact CZ2-CD1 4.07Å; W147-L230 HydrophobicContact CZ3-CD1 3.44Å; W147-L230 VanDerWaalsContact CZ3-CD1 3.44Å; G225-L230 VanDerWaalsContact O-CB 3.31Å; G225-L230 WeakPolarHBondContact O-CB 3.4Å; G225-L230 WeakPolarHBondContact O-CG 3.4Å; G225-L230 PolarHBondContact O-N 3.49Å; H226-L230 WeakPolarHBondContact CA-O 3.25Å; H226-L230 PolarHBondContact ND1-O 3.33Å; L230-M240 HydrophobicContact CB-CE 4.18Å; L230-M240 HydrophobicContact CB-CG 4.42Å; L230-M240 HydrophobicContact CD1-CG 4.31Å; L230-G260 VanDerWaalsContact CD2-C 3.42Å; L230-I261 HydrophobicContact CD1-CB 4.17Å; L230-I261 HydrophobicContact CD1-CD1 4.03Å; L230-I261 HydrophobicContact CD2-CB 4.39Å; L230-I261 HydrophobicContact CD2-CD1 4.36Å; L230-I261 HydrophobicContact CG-CD1 4.3Å; L230-L264 HydrophobicContact CD2-CD1 3.73Å; L230-L264 HydrophobicContact CG-CD1 4.49Å
231	G	90.4	Very high	91.5	Very high	2 Å²	2	14.4 Å²	14.4	2%	0.021	7%	0.07	C	C	.	.			trans	-90.4	-179.1	167.2	0	0	0	0	0	112	R110	R110-G231 WeakPolarHBondContact O-CA 3.5Å; R110-G231 PolarHBondContact O-N 3.19Å
232	H	91.1	Very high	91.2	Very high	6 Å²	6	14.6 Å²	14.6	3%	0.028	7%	0.071	C	C	.	.			trans	-63	140.4	175.4	-71	146.3	0	0	0	112.1	C96 L98 D100 F102 H222 H226 M240	C96-H232 WeakPolarHBondContact CB-NE2 3.34Å; C96-H232 PolarHBondContact SG-NE2 3.01Å; C96-H232 VanDerWaalsContact SG-NE2 3.36Å; L98-H232 PolarHBondContact O-CE1 3.41Å; D100-H232 IonicContact OD1-CE1 3.31Å; D100-H232 PolarHBondContact OD1-CE1 3.21Å; D100-H232 VanDerWaalsContact OD1-CE1 3.24Å; D100-H232 IonicContact OD1-CG 2.72Å; D100-H232 IonicContact OD1-ND1 3.61Å; D100-H232 PolarHBondContact OD1-ND1 3.06Å; F102-H232 HydrophobicContact CE2-CB 4.49Å; F102-H232 HydrophobicContact CZ-CB 3.86Å; H222-H232 AromaticContact CE1-CD2 3.5Å; H222-H232 PolarHBondContact CE1-CD2 3.17Å; H222-H232 VanDerWaalsContact CE1-CD2 3.5Å; H222-H232 AromaticContact CE1-NE2 3.61Å; H222-H232 AromaticContact NE2-CD2 3.45Å; H222-H232 PolarHBondContact NE2-CD2 2.96Å; H222-H232 AromaticContact NE2-NE2 3.2Å; H222-H232 PolarHBondContact NE2-NE2 3.29Å; H226-H232 AromaticContact CE1-CD2 3.45Å; H226-H232 PolarHBondContact CE1-CD2 2.99Å; H226-H232 VanDerWaalsContact CE1-CD2 3.45Å; H226-H232 AromaticContact CE1-NE2 3.67Å; H226-H232 AromaticContact NE2-CD2 3.43Å; H226-H232 PolarHBondContact NE2-CD2 3.39Å; H226-H232 AromaticContact NE2-NE2 3.22Å; H226-H232 PolarHBondContact NE2-NE2 2.86Å; H232-M240 CarbonylContact C-O 3.4Å; H232-M240 WeakPolarHBondContact CA-O 3.44Å; H232-M240 PolarHBondContact CD2-O 3.36Å
233	S	86.9	Confident	90.9	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.07	C	C	.	.			trans	-85.4	140.5	172.1	179.7	0	0	0	0	110	Y235 M240 D256	S233-Y235 PolarHBondContact O-N 3.04Å; S233-Y235 PolarHBondContact OG-N 3.32Å; S233-Y235 VanDerWaalsContact OG-N 3.09Å; S233-M240 PolarHBondContact N-O 3.48Å; S233-D256 WeakPolarHBondContact CB-OD2 3.3Å; S233-D256 PolarHBondContact OG-OD2 2.94Å
234	Q	81.4	Confident	90.6	Very high	53 Å²	53	15.7 Å²	15.7	25%	0.248	8%	0.076	C	C	.	.	S	Bend	trans	-67.2	-13.5	169.7	61.9	167.8	-28.1	0	0	113.2	V74 F102 L107 Y236	V74-Q234 HydrophobicContact CG1-CB 4.15Å; F102-Q234 HydrophobicContact CE1-CB 4.26Å; L107-Q234 HydrophobicContact CB-CB 4.47Å; L107-Q234 VanDerWaalsContact CB-OE1 3.28Å; L107-Q234 WeakPolarHBondContact O-CG 3.31Å; L107-Q234 PolarHBondContact O-NE2 2.99Å; Q234-Y236 PolarHBondContact O-N 3.44Å
235	Y	81.4	Confident	90.1	Very high	86 Å²	86	17.9 Å²	17.9	34%	0.337	9%	0.089	S	C	.	.			trans	-88.7	108.4	-179.9	-63.1	-65.8	0	0	0	109.8	S233 S237 A238 H254 D256	S233-Y235 PolarHBondContact O-N 3.04Å; S233-Y235 PolarHBondContact OG-N 3.32Å; S233-Y235 VanDerWaalsContact OG-N 3.09Å; Y235-S237 PolarHBondContact O-N 3.42Å; Y235-A238 VanDerWaalsContact O-CB 3.27Å; Y235-A238 WeakPolarHBondContact O-CB 3.41Å; Y235-A238 PolarHBondContact O-N 3.37Å; Y235-H254 AromaticContact CD2-CE1 3.95Å; Y235-D256 HydrophobicContact CD2-CB 3.8Å; Y235-D256 WeakPolarHBondContact CD2-OD2 3.45Å; Y235-D256 HydrophobicContact CE2-CB 4.11Å
236	Y	81.3	Confident	89.6	Confident	65 Å²	65	18.6 Å²	18.6	26%	0.255	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.9	-31.7	174.2	-179.5	-103.4	0	0	0	114.4	V74 N76 M90 Q234 I243 V245	V74-Y236 WeakPolarHBondContact O-CB 3.41Å; N76-Y236 HydrophobicContact CB-CG 4.35Å; M90-Y236 HydrophobicContact CE-CE2 4.17Å; M90-Y236 HydrophobicContact SD-CE2 3.95Å; Q234-Y236 PolarHBondContact O-N 3.44Å; Y236-I243 HydrophobicContact CD2-CB 4.44Å; Y236-I243 HydrophobicContact CE2-CB 3.94Å; Y236-I243 HydrophobicContact CE2-CD1 4.45Å; Y236-I243 HydrophobicContact CE2-CG2 4Å; Y236-V245 HydrophobicContact CD1-CG1 4.38Å; Y236-V245 HydrophobicContact CE1-CG1 3.84Å; Y236-V245 HydrophobicContact CE2-CG1 4.13Å
237	S	84.3	Confident	89.1	Confident	53 Å²	53	20.9 Å²	20.9	37%	0.371	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-13.5	-179.2	60.1	0	0	0	0	114.9	Y235 R248	Y235-S237 PolarHBondContact O-N 3.42Å; S237-R248 PolarHBondContact O-NH1 3.38Å; S237-R248 PolarHBondContact O-NH2 3.14Å
238	A	87.6	Confident	88.3	Confident	4 Å²	4	25 Å²	25	3%	0.033	12%	0.121	C	C	.	.	S	Bend	trans	-71.8	154.6	179.4	0	0	0	0	0	111.5	Y235 M240 G241 H254	Y235-A238 VanDerWaalsContact O-CB 3.27Å; Y235-A238 WeakPolarHBondContact O-CB 3.41Å; Y235-A238 PolarHBondContact O-N 3.37Å; A238-M240 VanDerWaalsContact C-N 3.25Å; A238-M240 PolarHBondContact O-N 2.94Å; A238-G241 PolarHBondContact O-N 3.06Å; A238-G241 VanDerWaalsContact O-N 3.13Å; A238-H254 HydrophobicContact CB-CB 3.82Å
239	L	93.8	Very high	87.2	Confident	12 Å²	12	30.2 Å²	30.2	6%	0.063	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-44.4	174	176.2	59.6	0	0	0	109.8	W147 I218 A221 H222 G241 F251 L253 D257	W147-L239 HydrophobicContact CH2-CD2 4.22Å; W147-L239 HydrophobicContact CZ2-CD2 3.63Å; I218-L239 HydrophobicContact CG2-CD1 4.16Å; A221-L239 HydrophobicContact CB-CD1 4.15Å; A221-L239 HydrophobicContact CB-CD2 3.6Å; A221-L239 HydrophobicContact CB-CG 4.48Å; H222-L239 HydrophobicContact CB-CD1 4.02Å; H222-L239 HydrophobicContact CB-CG 4.3Å; H222-L239 PolarHBondContact ND1-O 2.82Å; L239-G241 PolarHBondContact O-N 3.15Å; L239-F251 HydrophobicContact CB-CE2 4.5Å; L239-F251 HydrophobicContact CB-CZ 3.94Å; L239-F251 HydrophobicContact CD1-CE2 4.07Å; L239-F251 HydrophobicContact CD1-CZ 3.68Å; L239-F251 HydrophobicContact CD2-CE1 4.44Å; L239-F251 HydrophobicContact CD2-CZ 3.93Å; L239-F251 HydrophobicContact CG-CZ 4.03Å; L239-L253 HydrophobicContact CB-CD2 4.09Å; L239-L253 HydrophobicContact CD2-CD2 3.33Å; L239-L253 HydrophobicContact CG-CD2 4.36Å; L239-D257 VanDerWaalsContact CB-OD2 3.3Å; L239-D257 WeakPolarHBondContact CB-OD2 3.14Å; L239-D257 PolarHBondContact N-OD1 3.36Å; L239-D257 PolarHBondContact N-OD2 2.98Å
240	M	94.3	Very high	86.7	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	10.5	178.9	-60.2	-52	-59.3	0	0	113.4	Y109 W147 H222 H226 L230 H232 S233 A238 D257	Y109-M240 HydrophobicContact CE2-CB 4.42Å; Y109-M240 VanDerWaalsContact OH-CG 3.25Å; Y109-M240 WeakPolarHBondContact OH-CG 3.28Å; W147-M240 HydrophobicContact CH2-CG 4.12Å; W147-M240 HydrophobicContact CH2-SD 4.09Å; W147-M240 HydrophobicContact CZ2-SD 3.91Å; H222-M240 WeakPolarHBondContact O-CE 3.46Å; H222-M240 VanDerWaalsContact O-SD 3.34Å; H226-M240 VanDerWaalsContact CE1-CE 3.43Å; H226-M240 WeakPolarHBondContact CE1-CE 3.43Å; H226-M240 WeakPolarHBondContact ND1-CE 3.42Å; L230-M240 HydrophobicContact CB-CE 4.18Å; L230-M240 HydrophobicContact CB-CG 4.42Å; L230-M240 HydrophobicContact CD1-CG 4.31Å; H232-M240 CarbonylContact C-O 3.4Å; H232-M240 WeakPolarHBondContact CA-O 3.44Å; H232-M240 PolarHBondContact CD2-O 3.36Å; S233-M240 PolarHBondContact N-O 3.48Å; A238-M240 VanDerWaalsContact C-N 3.25Å; A238-M240 PolarHBondContact O-N 2.94Å; M240-D257 WeakPolarHBondContact CB-OD1 3.27Å; M240-D257 WeakPolarHBondContact CG-OD1 3.07Å; M240-D257 PolarHBondContact N-OD1 3.24Å
241	G	92.1	Very high	86.3	Confident	4 Å²	4	37.8 Å²	37.8	4%	0.041	19%	0.192	C	C	.	.			trans	-64.8	140.7	167.6	0	0	0	0	0	110.2	H222 A238 L239 I243	H222-G241 PolarHBondContact CE1-O 3.18Å; H222-G241 PolarHBondContact ND1-O 3.06Å; A238-G241 PolarHBondContact O-N 3.06Å; A238-G241 VanDerWaalsContact O-N 3.13Å; L239-G241 PolarHBondContact O-N 3.15Å; G241-I243 PolarHBondContact O-N 3.04Å
242	P	91.7	Very high	86	Confident	4 Å²	4	45.2 Å²	45.2	3%	0.026	22%	0.224	C	C	.	.	S	Bend	trans	-68.6	-32.5	-169.8	23.9	-33	0	0	0	113.8	R95 C96 D100 F102	R95-P242 WeakPolarHBondContact CA-O 3.29Å; R95-P242 WeakPolarHBondContact CB-O 3.45Å; C96-P242 PolarHBondContact N-O 3.35Å; D100-P242 WeakPolarHBondContact OD1-CB 3.41Å; F102-P242 HydrophobicContact CE2-CG 4.49Å
243	I	91.8	Very high	85.7	Confident	5 Å²	5	45.9 Å²	45.9	3%	0.026	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-89.1	133.4	-176.1	-59.8	176.1	0	0	0	110	F71 S75 M90 Q93 Y236 G241 V245	F71-I243 HydrophobicContact CE2-CD1 4.14Å; F71-I243 HydrophobicContact CZ-CD1 4.25Å; S75-I243 WeakPolarHBondContact OG-CD1 3.3Å; M90-I243 HydrophobicContact CG-CD1 3.61Å; M90-I243 HydrophobicContact SD-CD1 3.59Å; M90-I243 VanDerWaalsContact SD-CD1 3.59Å; M90-I243 HydrophobicContact SD-CG2 4.1Å; Q93-I243 HydrophobicContact CB-CG2 3.65Å; Q93-I243 HydrophobicContact CG-CG2 4.4Å; Y236-I243 HydrophobicContact CD2-CB 4.44Å; Y236-I243 HydrophobicContact CE2-CB 3.94Å; Y236-I243 HydrophobicContact CE2-CD1 4.45Å; Y236-I243 HydrophobicContact CE2-CG2 4Å; G241-I243 PolarHBondContact O-N 3.04Å; I243-V245 PolarHBondContact O-N 2.62Å
244	Y	92.4	Very high	85.8	Confident	33 Å²	33	48 Å²	48	13%	0.129	24%	0.237	C	C	.	.			trans	-72.7	117.5	179.6	175.8	-117.1	0	0	0	111.2	P94 L187 N215 I218 V219 G246 Y247	P94-Y244 HydrophobicContact CB-CD1 4.37Å; P94-Y244 VanDerWaalsContact O-CB 3.28Å; P94-Y244 WeakPolarHBondContact O-CB 3.47Å; P94-Y244 PolarHBondContact O-N 3.38Å; L187-Y244 HydrophobicContact CD1-CD1 3.76Å; L187-Y244 HydrophobicContact CD1-CD2 4.12Å; L187-Y244 HydrophobicContact CD1-CE1 4.44Å; L187-Y244 HydrophobicContact CD1-CG 3.56Å; N215-Y244 VanDerWaalsContact CB-OH 3.26Å; N215-Y244 WeakPolarHBondContact CB-OH 3.25Å; N215-Y244 PolarHBondContact N-OH 2.98Å; I218-Y244 HydrophobicContact CB-CE2 4.28Å; I218-Y244 HydrophobicContact CG2-CD2 4.4Å; I218-Y244 HydrophobicContact CG2-CE2 3.96Å; V219-Y244 HydrophobicContact CG2-CD2 3.98Å; V219-Y244 HydrophobicContact CG2-CE2 3.9Å; Y244-G246 WeakPolarHBondContact OH-CA 3.36Å; Y244-Y247 PolarHBondContact OH-N 3.33Å
245	V	86.7	Confident	86	Confident	47 Å²	47	48.9 Å²	48.9	29%	0.285	25%	0.248	S	C	.	.			trans	-90.9	5.7	-176.8	-62.2	0	0	0	0	114.1	Y236 I243 R248	Y236-V245 HydrophobicContact CD1-CG1 4.38Å; Y236-V245 HydrophobicContact CE1-CG1 3.84Å; Y236-V245 HydrophobicContact CE2-CG1 4.13Å; I243-V245 PolarHBondContact O-N 2.62Å; V245-R248 VanDerWaalsContact CG2-NH2 3.32Å
246	G	86.8	Confident	86.1	Confident	16 Å²	16	46.1 Å²	46.1	17%	0.165	24%	0.239	C	C	.	.			trans	83.6	179	-177.3	0	0	0	0	0	115	Y244	Y244-G246 WeakPolarHBondContact OH-CA 3.36Å
247	Y	83.9	Confident	86.5	Confident	49 Å²	49	43 Å²	43	19%	0.192	23%	0.227	C	C	.	.			trans	-70.2	137.5	176.1	177.5	-113.2	0	0	0	112.6	G209 K210 N215 R217 Y244 V249	G209-Y247 VanDerWaalsContact CA-CZ 3.48Å; K210-Y247 WeakPolarHBondContact O-CB 3.15Å; N215-Y247 HydrophobicContact CB-CD2 4.11Å; N215-Y247 VanDerWaalsContact CG-CD2 3.46Å; N215-Y247 WeakPolarHBondContact ND2-CD2 3.47Å; R217-Y247 PolarHBondContact NH2-OH 3.48Å; Y244-Y247 PolarHBondContact OH-N 3.33Å; Y247-V249 HydrophobicContact CD1-CG2 4.47Å; Y247-V249 HydrophobicContact CE1-CB 4.41Å; Y247-V249 HydrophobicContact CE1-CG2 3.81Å
248	R	78.6	Confident	86.7	Confident	87 Å²	87	42.8 Å²	42.8	33%	0.328	22%	0.221	S	C	.	.			trans	-120	122.8	172	-59.9	-179	-178.4	170.9	0.5	109.6	S237 V245 D250 F251	S237-R248 PolarHBondContact O-NH1 3.38Å; S237-R248 PolarHBondContact O-NH2 3.14Å; V245-R248 VanDerWaalsContact CG2-NH2 3.32Å; R248-D250 PolarHBondContact O-N 3.42Å; R248-F251 HydrophobicContact CB-CB 4.21Å; R248-F251 HydrophobicContact CB-CD2 4.34Å; R248-F251 PolarHBondContact O-N 3.49Å
249	V	73.8	Confident	86.7	Confident	108 Å²	108	48.8 Å²	48.8	66%	0.655	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-48.6	-177.5	176.8	0	0	0	0	111.5	Y247	Y247-V249 HydrophobicContact CD1-CG2 4.47Å; Y247-V249 HydrophobicContact CE1-CB 4.41Å; Y247-V249 HydrophobicContact CE1-CG2 3.81Å
250	D	77.4	Confident	86.5	Confident	141 Å²	141	48.5 Å²	48.5	75%	0.754	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.1	54.5	178.8	-68.7	-34.5	0	0	0	111.2	R248 K252	R248-D250 PolarHBondContact O-N 3.42Å; D250-K252 PolarHBondContact O-N 2.77Å
251	F	83.6	Confident	86.5	Confident	18 Å²	18	48.5 Å²	48.5	8%	0.079	25%	0.246	C	C	.	.			trans	-59.5	132.8	-176.8	179.6	-93.8	0	0	0	112.5	Y146 I218 L239 R248 L253	Y146-F251 HydrophobicContact CD1-CD1 4.3Å; Y146-F251 HydrophobicContact CD1-CE1 4.42Å; Y146-F251 AromaticContact CD2-CD1 3.99Å; Y146-F251 HydrophobicContact CD2-CD1 3.99Å; Y146-F251 AromaticContact CD2-CE1 3.71Å; Y146-F251 HydrophobicContact CD2-CE1 3.71Å; Y146-F251 AromaticContact CE1-CD1 3.86Å; Y146-F251 HydrophobicContact CE1-CD1 3.86Å; Y146-F251 HydrophobicContact CE1-CE1 4.4Å; Y146-F251 AromaticContact CE2-CD1 3.5Å; Y146-F251 HydrophobicContact CE2-CD1 3.5Å; Y146-F251 VanDerWaalsContact CE2-CD1 3.5Å; Y146-F251 AromaticContact CE2-CE1 3.67Å; Y146-F251 HydrophobicContact CE2-CE1 3.67Å; Y146-F251 HydrophobicContact CG-CD1 4.38Å; Y146-F251 HydrophobicContact CG-CE1 4.11Å; Y146-F251 AromaticContact CZ-CD1 3.43Å; Y146-F251 VanDerWaalsContact CZ-CD1 3.43Å; I218-F251 HydrophobicContact CD1-CB 3.91Å; I218-F251 HydrophobicContact CD1-CD1 3.93Å; I218-F251 HydrophobicContact CD1-CD2 3.36Å; I218-F251 HydrophobicContact CD1-CE1 4.32Å; I218-F251 HydrophobicContact CD1-CE2 3.82Å; I218-F251 HydrophobicContact CD1-CG 3.42Å; I218-F251 VanDerWaalsContact CD1-CG 3.42Å; I218-F251 HydrophobicContact CD1-CZ 4.27Å; L239-F251 HydrophobicContact CB-CE2 4.5Å; L239-F251 HydrophobicContact CB-CZ 3.94Å; L239-F251 HydrophobicContact CD1-CE2 4.07Å; L239-F251 HydrophobicContact CD1-CZ 3.68Å; L239-F251 HydrophobicContact CD2-CE1 4.44Å; L239-F251 HydrophobicContact CD2-CZ 3.93Å; L239-F251 HydrophobicContact CG-CZ 4.03Å; R248-F251 HydrophobicContact CB-CB 4.21Å; R248-F251 HydrophobicContact CB-CD2 4.34Å; R248-F251 PolarHBondContact O-N 3.49Å; F251-L253 HydrophobicContact CE1-CD2 4.22Å; F251-L253 HydrophobicContact CZ-CD2 4.27Å
252	K	84.8	Confident	86.6	Confident	158 Å²	158	50.9 Å²	50.9	69%	0.687	26%	0.256	S	S	*	.			trans	-138.2	144.5	171.8	-64.1	-177.3	-177.1	178	0	108.9	D250	D250-K252 PolarHBondContact O-N 2.77Å
253	L	86.1	Confident	86.5	Confident	20 Å²	20	54.2 Å²	54.2	11%	0.105	28%	0.284	C	S	.	.			trans	-58.4	140.1	171.4	-68.7	177.1	0	0	0	110.2	Y146 W147 V150 L239 F251 D257 I258	Y146-L253 WeakPolarHBondContact O-CD1 3.29Å; W147-L253 HydrophobicContact CD2-CD1 4.47Å; W147-L253 HydrophobicContact CE3-CD1 3.93Å; W147-L253 HydrophobicContact CH2-CD2 4.08Å; W147-L253 HydrophobicContact CZ2-CD2 4.29Å; W147-L253 HydrophobicContact CZ3-CD1 4.06Å; W147-L253 HydrophobicContact CZ3-CD2 4.23Å; V150-L253 HydrophobicContact CG1-CD1 4.34Å; V150-L253 HydrophobicContact CG2-CD1 3.65Å; L239-L253 HydrophobicContact CB-CD2 4.09Å; L239-L253 HydrophobicContact CD2-CD2 3.33Å; L239-L253 HydrophobicContact CG-CD2 4.36Å; F251-L253 HydrophobicContact CE1-CD2 4.22Å; F251-L253 HydrophobicContact CZ-CD2 4.27Å; L253-D257 HydrophobicContact CB-CB 4.3Å; L253-D257 HydrophobicContact CD2-CB 4.26Å; L253-I258 HydrophobicContact CB-CD1 4.22Å; L253-I258 HydrophobicContact CB-CG1 3.83Å; L253-I258 HydrophobicContact CD1-CG1 4.43Å
254	H	87.3	Confident	86.4	Confident	44 Å²	44	55.5 Å²	55.5	20%	0.204	29%	0.291	C	S	.	.			trans	-71.9	151	174.9	-175.2	-96.8	0	0	0	109.6	Y235 A238 D256 D257 I258	Y235-H254 AromaticContact CD2-CE1 3.95Å; A238-H254 HydrophobicContact CB-CB 3.82Å; H254-D256 WeakPolarHBondContact ND1-CB 3.37Å; H254-D256 PolarHBondContact ND1-N 3.14Å; H254-D256 PolarHBondContact O-N 2.91Å; H254-D256 VanDerWaalsContact O-N 3.08Å; H254-D257 WeakPolarHBondContact CB-OD2 3.4Å; H254-D257 PolarHBondContact N-OD2 3.44Å; H254-D257 WeakPolarHBondContact O-CB 3.31Å; H254-D257 PolarHBondContact O-N 2.88Å; H254-I258 PolarHBondContact O-N 3.49Å; H254-I258 VanDerWaalsContact O-N 3.08Å
255	P	85.5	Confident	86.4	Confident	73 Å²	73	54.7 Å²	54.7	47%	0.474	29%	0.288	S	S	.	.	H	α-helix	trans	-54.4	-30.8	178.4	-29.3	36.8	0	0	0	113.9	I258 K259	P255-I258 PolarHBondContact O-N 3.02Å; P255-K259 WeakPolarHBondContact O-CB 3.39Å; P255-K259 PolarHBondContact O-N 2.8Å
256	D	84.8	Confident	86.6	Confident	27 Å²	27	54 Å²	54	14%	0.144	29%	0.29	C	S	.	.	H	α-helix	trans	-67.1	-43.3	175.6	-164.8	57.3	0	0	0	112.4	Y109 S233 Y235 H254 I258 K259 G260	Y109-D256 WeakPolarHBondContact CD2-OD2 3.43Å; Y109-D256 WeakPolarHBondContact CE2-OD2 3.35Å; S233-D256 WeakPolarHBondContact CB-OD2 3.3Å; S233-D256 PolarHBondContact OG-OD2 2.94Å; Y235-D256 HydrophobicContact CD2-CB 3.8Å; Y235-D256 WeakPolarHBondContact CD2-OD2 3.45Å; Y235-D256 HydrophobicContact CE2-CB 4.11Å; H254-D256 WeakPolarHBondContact ND1-CB 3.37Å; H254-D256 PolarHBondContact ND1-N 3.14Å; H254-D256 PolarHBondContact O-N 2.91Å; H254-D256 VanDerWaalsContact O-N 3.08Å; D256-I258 VanDerWaalsContact C-N 3.33Å; D256-I258 PolarHBondContact O-N 3.23Å; D256-K259 PolarHBondContact O-N 2.98Å; D256-G260 PolarHBondContact O-N 2.98Å
257	D	88.9	Confident	86.8	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-60.6	-44.1	173.7	-53.2	-46.9	0	0	0	110.9	W147 L239 M240 L253 H254 G260 I261	W147-D257 HydrophobicContact CH2-CB 4.02Å; W147-D257 HydrophobicContact CZ3-CB 4.13Å; L239-D257 VanDerWaalsContact CB-OD2 3.3Å; L239-D257 WeakPolarHBondContact CB-OD2 3.14Å; L239-D257 PolarHBondContact N-OD1 3.36Å; L239-D257 PolarHBondContact N-OD2 2.98Å; M240-D257 WeakPolarHBondContact CB-OD1 3.27Å; M240-D257 WeakPolarHBondContact CG-OD1 3.07Å; M240-D257 PolarHBondContact N-OD1 3.24Å; L253-D257 HydrophobicContact CB-CB 4.3Å; L253-D257 HydrophobicContact CD2-CB 4.26Å; H254-D257 WeakPolarHBondContact CB-OD2 3.4Å; H254-D257 PolarHBondContact N-OD2 3.44Å; H254-D257 WeakPolarHBondContact O-CB 3.31Å; H254-D257 PolarHBondContact O-N 2.88Å; D257-G260 PolarHBondContact O-N 3.2Å; D257-I261 WeakPolarHBondContact O-CG2 3.47Å; D257-I261 PolarHBondContact O-N 3.11Å
258	I	89.9	Confident	87	Confident	48 Å²	48	59.3 Å²	59.3	25%	0.246	31%	0.313	C	S	.	.	H	α-helix	trans	-63.8	-43.3	178.8	-63.4	173.2	0	0	0	110.5	V150 L253 H254 P255 D256 I261 Q262	V150-I258 HydrophobicContact CB-CG1 4.41Å; V150-I258 HydrophobicContact CB-CG2 4.32Å; V150-I258 HydrophobicContact CG1-CD1 4.35Å; V150-I258 HydrophobicContact CG1-CG1 4.25Å; V150-I258 HydrophobicContact CG2-CG1 4.4Å; L253-I258 HydrophobicContact CB-CD1 4.22Å; L253-I258 HydrophobicContact CB-CG1 3.83Å; L253-I258 HydrophobicContact CD1-CG1 4.43Å; H254-I258 PolarHBondContact O-N 3.49Å; H254-I258 VanDerWaalsContact O-N 3.08Å; P255-I258 PolarHBondContact O-N 3.02Å; D256-I258 VanDerWaalsContact C-N 3.33Å; D256-I258 PolarHBondContact O-N 3.23Å; I258-I261 WeakPolarHBondContact O-CG2 3.46Å; I258-Q262 HydrophobicContact CG2-CG 4.28Å; I258-Q262 VanDerWaalsContact O-CB 3.23Å; I258-Q262 WeakPolarHBondContact O-CB 3.43Å; I258-Q262 WeakPolarHBondContact O-CG 3.21Å; I258-Q262 PolarHBondContact O-N 3.38Å
259	K	86.5	Confident	86.6	Confident	131 Å²	131	61.2 Å²	61.2	57%	0.57	33%	0.326	S	S	*	.	H	α-helix	trans	-64.4	-44.3	177.7	-174	179.9	178.7	-177.9	0	110.9	P255 D256 Q262 A263	P255-K259 WeakPolarHBondContact O-CB 3.39Å; P255-K259 PolarHBondContact O-N 2.8Å; D256-K259 PolarHBondContact O-N 2.98Å; K259-Q262 PolarHBondContact O-N 3.27Å; K259-A263 WeakPolarHBondContact O-CB 3.35Å; K259-A263 PolarHBondContact O-N 3.41Å
260	G	88.7	Confident	85.5	Confident	6 Å²	6	62.8 Å²	62.8	6%	0.062	33%	0.33	C	S	.	.	H	α-helix	trans	-57.7	-54	177	0	0	0	0	0	111.8	L230 D256 D257 Q262 A263 L264	L230-G260 VanDerWaalsContact CD2-C 3.42Å; D256-G260 PolarHBondContact O-N 2.98Å; D257-G260 PolarHBondContact O-N 3.2Å; G260-Q262 PolarHBondContact O-N 3.49Å; G260-A263 WeakPolarHBondContact O-CB 3.5Å; G260-A263 PolarHBondContact O-N 3.06Å; G260-L264 PolarHBondContact O-N 2.87Å
261	I	95.3	Very high	83.7	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-68.1	-35.3	-177.8	-162.5	70	0	0	0	112.9	W147 V150 L153 L228 L230 D257 I258 A263 L264 Y265	W147-I261 HydrophobicContact CE3-CB 3.91Å; W147-I261 HydrophobicContact CE3-CD1 4.2Å; W147-I261 HydrophobicContact CE3-CG1 3.87Å; W147-I261 HydrophobicContact CE3-CG2 4.01Å; W147-I261 HydrophobicContact CZ3-CB 3.92Å; W147-I261 HydrophobicContact CZ3-CG1 4.35Å; W147-I261 HydrophobicContact CZ3-CG2 4.09Å; V150-I261 HydrophobicContact CG2-CG2 3.77Å; L153-I261 HydrophobicContact CD1-CD1 4.31Å; L228-I261 HydrophobicContact CB-CD1 3.86Å; L228-I261 HydrophobicContact CD1-CD1 3.84Å; L228-I261 HydrophobicContact CG-CD1 4.44Å; L230-I261 HydrophobicContact CD1-CB 4.17Å; L230-I261 HydrophobicContact CD1-CD1 4.03Å; L230-I261 HydrophobicContact CD2-CB 4.39Å; L230-I261 HydrophobicContact CD2-CD1 4.36Å; L230-I261 HydrophobicContact CG-CD1 4.3Å; D257-I261 WeakPolarHBondContact O-CG2 3.47Å; D257-I261 PolarHBondContact O-N 3.11Å; I258-I261 WeakPolarHBondContact O-CG2 3.46Å; I261-A263 VanDerWaalsContact C-N 3.34Å; I261-L264 PolarHBondContact O-N 2.94Å; I261-Y265 HydrophobicContact CD1-CD2 3.5Å; I261-Y265 VanDerWaalsContact CD1-CD2 3.5Å; I261-Y265 HydrophobicContact CD1-CE2 3.61Å; I261-Y265 HydrophobicContact CG1-CD2 3.98Å; I261-Y265 PolarHBondContact O-N 2.92Å
262	Q	94.3	Very high	81.2	Confident	53 Å²	53	63.2 Å²	63.2	25%	0.248	34%	0.344	C	S	.	.	H	α-helix	trans	-72.2	-27.9	176.7	-73.1	179.6	4	0	0	112.6	V150 I258 K259 G260 L264 G266 K267	V150-Q262 WeakPolarHBondContact O-CG 3.45Å; V150-Q262 PolarHBondContact O-NE2 3.28Å; I258-Q262 HydrophobicContact CG2-CG 4.28Å; I258-Q262 VanDerWaalsContact O-CB 3.23Å; I258-Q262 WeakPolarHBondContact O-CB 3.43Å; I258-Q262 WeakPolarHBondContact O-CG 3.21Å; I258-Q262 PolarHBondContact O-N 3.38Å; K259-Q262 PolarHBondContact O-N 3.27Å; G260-Q262 PolarHBondContact O-N 3.49Å; Q262-L264 PolarHBondContact O-N 3.13Å; Q262-G266 WeakPolarHBondContact O-CA 3.31Å; Q262-G266 PolarHBondContact O-N 3.5Å; Q262-K267 HydrophobicContact CG-CG 4.29Å
263	A	89.8	Confident	78.8	Confident	75 Å²	75	61.1 Å²	61.1	62%	0.62	35%	0.346	S	S	*	.	H	α-helix	trans	-64.9	-32.7	172.2	0	0	0	0	0	111.7	K259 G260 I261	K259-A263 WeakPolarHBondContact O-CB 3.35Å; K259-A263 PolarHBondContact O-N 3.41Å; G260-A263 WeakPolarHBondContact O-CB 3.5Å; G260-A263 PolarHBondContact O-N 3.06Å; I261-A263 VanDerWaalsContact C-N 3.34Å
264	L	88.9	Confident	76.3	Confident	32 Å²	32	65 Å²	65	17%	0.168	38%	0.375	C	S	.	.	H	α-helix	trans	-81.6	-44.2	177.8	-62.1	-178.2	0	0	0	113.2	I111 L228 L230 G260 I261 Q262	I111-L264 HydrophobicContact CB-CD2 4.31Å; I111-L264 HydrophobicContact CD1-CD2 3.68Å; I111-L264 HydrophobicContact CD1-CG 4.43Å; I111-L264 HydrophobicContact CG1-CD2 3.89Å; I111-L264 HydrophobicContact CG1-CG 4.47Å; I111-L264 HydrophobicContact CG2-CD2 3.48Å; I111-L264 VanDerWaalsContact CG2-CD2 3.48Å; L228-L264 WeakPolarHBondContact O-CD1 3.41Å; L230-L264 HydrophobicContact CD2-CD1 3.73Å; L230-L264 HydrophobicContact CG-CD1 4.49Å; G260-L264 PolarHBondContact O-N 2.87Å; I261-L264 PolarHBondContact O-N 2.94Å; Q262-L264 PolarHBondContact O-N 3.13Å
265	Y	92.9	Very high	73.6	Confident	15 Å²	15	69 Å²	69	6%	0.059	40%	0.403	C	S	.	.	H	α-helix	trans	-124	-2.6	-165.4	-56.4	-70.9	0	0	0	114.1	Y114 W115 S152 L153 L228 I261	Y114-Y265 WeakPolarHBondContact CA-OH 3.47Å; W115-Y265 HydrophobicContact CB-CE1 4.19Å; W115-Y265 PolarHBondContact N-OH 2.93Å; W115-Y265 WeakPolarHBondContact O-CE1 3.37Å; S152-Y265 WeakPolarHBondContact CB-O 3.38Å; S152-Y265 PolarHBondContact OG-O 3.3Å; L153-Y265 HydrophobicContact CD1-CD1 4.3Å; L153-Y265 HydrophobicContact CD1-CD2 3.58Å; L153-Y265 HydrophobicContact CD1-CE2 3.85Å; L153-Y265 HydrophobicContact CD1-CG 3.82Å; L153-Y265 HydrophobicContact CD2-CD1 3.53Å; L153-Y265 HydrophobicContact CD2-CD2 4.33Å; L153-Y265 HydrophobicContact CD2-CE1 3.93Å; L153-Y265 HydrophobicContact CD2-CG 3.74Å; L153-Y265 HydrophobicContact CG-CD1 4.07Å; L153-Y265 HydrophobicContact CG-CD2 4.02Å; L153-Y265 HydrophobicContact CG-CG 3.71Å; L228-Y265 HydrophobicContact CB-CE2 4.25Å; L228-Y265 VanDerWaalsContact O-CE2 3.29Å; L228-Y265 WeakPolarHBondContact O-CE2 3.37Å; L228-Y265 PolarHBondContact O-OH 3.17Å; I261-Y265 HydrophobicContact CD1-CD2 3.5Å; I261-Y265 VanDerWaalsContact CD1-CD2 3.5Å; I261-Y265 HydrophobicContact CD1-CE2 3.61Å; I261-Y265 HydrophobicContact CG1-CD2 3.98Å; I261-Y265 PolarHBondContact O-N 2.92Å
266	G	91.4	Very high	71.3	Confident	32 Å²	32	70.9 Å²	70.9	33%	0.33	41%	0.408	S	S	.	.			trans	69.6	-179.4	-175.4	0	0	0	0	0	113.9	S151 S152 Q262	S151-G266 CarbonylContact C-O 3.48Å; S151-G266 VanDerWaalsContact CA-O 3.22Å; S151-G266 WeakPolarHBondContact CA-O 3.43Å; S152-G266 PolarHBondContact N-O 3.43Å; S152-G266 VanDerWaalsContact N-O 3.1Å; Q262-G266 WeakPolarHBondContact O-CA 3.31Å; Q262-G266 PolarHBondContact O-N 3.5Å
267	K	90.1	Very high	69	Low	147 Å²	147	75.2 Å²	75.2	64%	0.639	44%	0.437	S	S	*	.	S	Bend	trans	-81.6	162.7	-176.4	-64.9	179	-178.3	177.5	0	112.5	S152 Q262 E269	S152-K267 WeakPolarHBondContact CB-O 3.48Å; Q262-K267 HydrophobicContact CG-CG 4.29Å; K267-E269 PolarHBondContact O-N 3Å
268	P	89.6	Confident	66.4	Low	31 Å²	31	83.9 Å²	83.9	20%	0.201	48%	0.477	C	S	.	.			trans	-60.6	131.9	178.9	-20.8	31.1	0	0	0	113.8	N149 S151 N270 S271	N149-P268 WeakPolarHBondContact O-CG 3.36Å; S151-P268 WeakPolarHBondContact O-CA 3.17Å; S151-P268 WeakPolarHBondContact O-CG 3.34Å; P268-N270 VanDerWaalsContact C-N 3.31Å; P268-N270 PolarHBondContact O-N 2.71Å; P268-S271 PolarHBondContact O-N 3.28Å; P268-S271 PolarHBondContact O-OG 3.07Å
269	E	69.2	Low	63.5	Low	127 Å²	127	88.8 Å²	88.8	59%	0.593	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-24	-176.8	-69	179	178.6	0	0	114	K118 K267 S271	K118-E269 IonicContact NZ-OE1 3.23Å; K118-E269 PolarHBondContact NZ-OE1 3.43Å; K267-E269 PolarHBondContact O-N 3Å; E269-S271 VanDerWaalsContact C-N 3.33Å; E269-S271 PolarHBondContact O-N 3.48Å
270	N	51.4	Low	61.1	Low	140 Å²	140	87.9 Å²	87.9	75%	0.749	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	25.3	176.8	-69.6	-13.2	0	0	0	113.4	P268 P272	P268-N270 VanDerWaalsContact C-N 3.31Å; P268-N270 PolarHBondContact O-N 2.71Å; N270-P272 VanDerWaalsContact O-CD 3.31Å; N270-P272 WeakPolarHBondContact O-CD 3.41Å
271	S	38.3	Very low	58.9	Low	69 Å²	69	92.7 Å²	92.7	48%	0.483	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-63	119.6	159	-54	0	0	0	0	105.7	P268 E269	P268-S271 PolarHBondContact O-N 3.28Å; P268-S271 PolarHBondContact O-OG 3.07Å; E269-S271 VanDerWaalsContact C-N 3.33Å; E269-S271 PolarHBondContact O-N 3.48Å
272	P	32.4	Very low	56.3	Low	100 Å²	100	96.7 Å²	96.7	65%	0.649	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-49	145.7	171.7	-20.9	30.4	0	0	0	108	N270 S274	N270-P272 VanDerWaalsContact O-CD 3.31Å; N270-P272 WeakPolarHBondContact O-CD 3.41Å; P272-S274 PolarHBondContact O-N 3.18Å
273	P	33.1	Very low	53.9	Low	113 Å²	113	106.4 Å²	106.4	73%	0.734	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-49.2	121.8	159.2	23.9	-30	0	0	0	104.3	V275	P273-V275 PolarHBondContact O-N 2.9Å
274	S	33.9	Very low	52.2	Low	101 Å²	101	104.7 Å²	104.7	71%	0.706	58%	0.584	S	S	*	*			trans	-65.9	84.6	-175.9	-68.6	0	0	0	0	107.2	P272 I276	P272-S274 PolarHBondContact O-N 3.18Å; S274-I276 PolarHBondContact O-N 3.24Å
275	V	30.7	Very low	51.1	Low	129 Å²	129	107.6 Å²	107.6	78%	0.782	61%	0.613	S	S	*	*			trans	-74.5	67.7	157.4	-172.2	0	0	0	0	104.5	P273 P277	P273-V275 PolarHBondContact O-N 2.9Å; V275-P277 WeakPolarHBondContact O-CD 3.43Å
276	I	37.2	Very low	50.3	Low	113 Å²	113	109.3 Å²	109.3	58%	0.579	63%	0.631	S	S	*	*			trans	-79	118.2	154.7	-63.2	172.1	0	0	0	103	S274 H278	S274-I276 PolarHBondContact O-N 3.24Å; I276-H278 PolarHBondContact O-N 2.8Å
277	P	35.8	Very low	50	Low	117 Å²	117	109.3 Å²	109.3	76%	0.76	62%	0.624	S	S	*	*			trans	-49.6	119.2	167.6	-22	31.5	0	0	0	107.5	V275 Q279	V275-P277 WeakPolarHBondContact O-CD 3.43Å; P277-Q279 PolarHBondContact O-N 3.19Å
278	H	34.4	Very low	49.9	Very low	183 Å²	183	105.7 Å²	105.7	85%	0.847	61%	0.612	S	S	*	*			trans	-37.9	111.2	-172.6	-66.4	-35	0	0	0	113.2	I276	I276-H278 PolarHBondContact O-N 2.8Å
279	Q	30.6	Very low	49.8	Very low	150 Å²	150	104.7 Å²	104.7	70%	0.701	61%	0.606	S	S	*	*				-109.1	132.9	117.5	-70.8	-164.2	-27.1	0	0	106.7	P277 V281	P277-Q279 PolarHBondContact O-N 3.19Å; Q279-V281 PolarHBondContact O-N 3.22Å
280	P	35.8	Very low	50.6	Low	113 Å²	113	100.6 Å²	100.6	73%	0.734	59%	0.591	S	S	*	*			trans	-64.3	116.5	-173.2	14.6	-10.4	0	0	0	107.9	P282	P280-P282 WeakPolarHBondContact O-CD 3.36Å
281	V	41.4	Very low	52.4	Low	106 Å²	106	102.4 Å²	102.4	64%	0.642	59%	0.592	S	S	*	*			trans	-67.3	107.3	156.9	177.1	0	0	0	0	104	Q279 R283 Q311	Q279-V281 PolarHBondContact O-N 3.22Å; V281-R283 PolarHBondContact O-N 3.36Å; V281-R283 VanDerWaalsContact O-N 3.09Å; V281-Q311 VanDerWaalsContact CG1-OE1 3.25Å
282	P	41.5	Very low	54.9	Low	85 Å²	85	100.1 Å²	100.1	55%	0.552	58%	0.577	S	S	*	*			trans	-61.3	124	171.1	-13.6	30.6	0	0	0	105.2	P280 G284 Q311	P280-P282 WeakPolarHBondContact O-CD 3.36Å; P282-G284 PolarHBondContact O-N 3.2Å; P282-Q311 PolarHBondContact O-NE2 2.98Å
283	R	43.4	Very low	57.7	Low	257 Å²	257	101.7 Å²	101.7	97%	0.97	57%	0.574	S	S	*	*			trans	-71.2	48	169.6	-154.5	-173.9	-58.1	-125	2.8	108.8	V281	V281-R283 PolarHBondContact O-N 3.36Å; V281-R283 VanDerWaalsContact O-N 3.09Å
284	G	53.9	Low	60.7	Low	38 Å²	38	96.8 Å²	96.8	39%	0.392	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-76	143	175.1	0	0	0	0	0	108.8	P282 Y312	P282-G284 PolarHBondContact O-N 3.2Å; G284-Y312 PolarHBondContact O-OH 3.09Å
285	A	66.3	Low	63.7	Low	94 Å²	94	93.6 Å²	93.6	78%	0.777	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-52.9	147.9	163	0	0	0	0	0	109.1
286	A	75.4	Confident	66.9	Low	51 Å²	51	87.6 Å²	87.6	42%	0.421	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-51.5	131.6	169.9	0	0	0	0	0	108.6	Y312 P324	A286-Y312 HydrophobicContact CB-CD1 4.37Å; A286-Y312 HydrophobicContact CB-CE1 4.06Å; A286-P324 HydrophobicContact CB-CB 4.3Å
287	P	85.5	Confident	69.8	Low	31 Å²	31	82.3 Å²	82.3	20%	0.201	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-64.5	140.9	-176.3	27.7	-34.8	0	0	0	109.2	P289 A292 Y312 W314 P324	P287-P289 WeakPolarHBondContact O-CD 3.16Å; P287-A292 HydrophobicContact CB-CB 4.01Å; P287-Y312 VanDerWaalsContact CD-CG 3.49Å; P287-Y312 HydrophobicContact CG-CD2 4.01Å; P287-Y312 HydrophobicContact CG-CG 4.17Å; P287-W314 HydrophobicContact CG-CZ3 4.08Å; P287-P324 WeakPolarHBondContact O-CG 3.29Å
288	D	87.4	Confident	72.6	Confident	72 Å²	72	76.8 Å²	76.8	39%	0.385	42%	0.417	S	S	.	.			trans	-67.7	115.1	168.7	176.4	-0.1	0	0	0	108.6	C290 K291 A292	D288-C290 PolarHBondContact O-N 3.43Å; D288-C290 VanDerWaalsContact O-N 3.08Å; D288-C290 WeakPolarHBondContact OD1-CB 3.37Å; D288-C290 PolarHBondContact OD1-N 3.5Å; D288-K291 HydrophobicContact CB-CB 4.39Å; D288-K291 CarbonylContact O-C 3.53Å; D288-K291 PolarHBondContact O-N 3.45Å; D288-K291 WeakPolarHBondContact OD2-CD 3.19Å; D288-K291 IonicContact OD2-NZ 3.89Å; D288-A292 WeakPolarHBondContact O-CB 3.3Å; D288-A292 PolarHBondContact O-N 3.45Å
289	P	87.3	Confident	75.4	Confident	9 Å²	9	69 Å²	69	6%	0.058	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-23.1	-178.5	-31.1	43.2	0	0	0	114.3	P287 K291 W314 F321 P324 M472	P287-P289 WeakPolarHBondContact O-CD 3.16Å; P289-K291 VanDerWaalsContact C-N 3.28Å; P289-K291 PolarHBondContact O-N 3.11Å; P289-W314 HydrophobicContact CB-CD2 4.42Å; P289-W314 HydrophobicContact CB-CZ2 4.08Å; P289-W314 HydrophobicContact CG-CD2 4.24Å; P289-W314 HydrophobicContact CG-CG 4.43Å; P289-F321 HydrophobicContact CB-CD1 3.9Å; P289-F321 HydrophobicContact CB-CD2 3.79Å; P289-F321 HydrophobicContact CB-CE1 3.91Å; P289-F321 HydrophobicContact CB-CE2 3.78Å; P289-F321 HydrophobicContact CB-CG 3.83Å; P289-F321 HydrophobicContact CB-CZ 3.84Å; P289-F321 HydrophobicContact CG-CD2 3.51Å; P289-F321 HydrophobicContact CG-CE1 4.49Å; P289-F321 HydrophobicContact CG-CE2 3.44Å; P289-F321 VanDerWaalsContact CG-CE2 3.44Å; P289-F321 HydrophobicContact CG-CG 4.07Å; P289-F321 HydrophobicContact CG-CZ 3.97Å; P289-P324 HydrophobicContact CG-CG 3.59Å; P289-M472 HydrophobicContact CB-SD 4.21Å; P289-M472 WeakPolarHBondContact O-CG 3.38Å
290	C	87.2	Confident	77.9	Confident	42 Å²	42	62.2 Å²	62.2	28%	0.284	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-17.7	175.2	-61.3	0	0	0	0	113.6	D288 C474	D288-C290 PolarHBondContact O-N 3.43Å; D288-C290 VanDerWaalsContact O-N 3.08Å; D288-C290 WeakPolarHBondContact OD1-CB 3.37Å; D288-C290 PolarHBondContact OD1-N 3.5Å; C290-C474 WeakPolarHBondContact CA-SG 3.43Å; C290-C474 HydrophobicContact CB-CB 3.83Å; C290-C474 WeakPolarHBondContact CB-SG 3.34Å; C290-C474 WeakPolarHBondContact SG-CB 3.43Å; C290-C474 CovalentContact SG-SG 2.03Å; C290-C474 PolarHBondContact SG-SG 3.04Å
291	K	89.1	Confident	79.3	Confident	177 Å²	177	60.1 Å²	60.1	77%	0.77	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.3	-3.9	-175.4	-61.8	175.6	-174.9	165.7	0	113.2	D288 P289	D288-K291 HydrophobicContact CB-CB 4.39Å; D288-K291 CarbonylContact O-C 3.53Å; D288-K291 PolarHBondContact O-N 3.45Å; D288-K291 WeakPolarHBondContact OD2-CD 3.19Å; D288-K291 IonicContact OD2-NZ 3.89Å; P289-K291 VanDerWaalsContact C-N 3.28Å; P289-K291 PolarHBondContact O-N 3.11Å
292	A	89.8	Confident	80	Confident	22 Å²	22	60.1 Å²	60.1	18%	0.182	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-70.4	138.3	-173.8	0	0	0	0	0	111.6	P287 D288 W314	P287-A292 HydrophobicContact CB-CB 4.01Å; D288-A292 WeakPolarHBondContact O-CB 3.3Å; D288-A292 PolarHBondContact O-N 3.45Å; A292-W314 HydrophobicContact CB-CH2 3.62Å; A292-W314 HydrophobicContact CB-CZ2 4.13Å
293	K	92.8	Very high	81.4	Confident	133 Å²	133	60.4 Å²	60.4	58%	0.578	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-74.2	127.4	165.3	-174.6	-173.5	175.8	-169	0	109	S309 D431	K293-S309 WeakPolarHBondContact O-CB 3.28Å; K293-S309 PolarHBondContact O-OG 3.23Å; K293-D431 WeakPolarHBondContact CE-OD1 3.48Å; K293-D431 IonicContact NZ-OD1 3.69Å
294	L	95.1	Very high	83.2	Confident	9 Å²	9	52.1 Å²	52.1	5%	0.047	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-78.4	137.3	177.7	-52.8	-166.7	0	0	0	110.8	V297 V307 W314 D431 F444 T467 M472	L294-V297 HydrophobicContact CD1-CG2 3.95Å; L294-V307 HydrophobicContact CD1-CG1 4.17Å; L294-V307 HydrophobicContact CD2-CG1 3.34Å; L294-V307 HydrophobicContact CG-CG1 4.26Å; L294-W314 HydrophobicContact CD2-CH2 4.4Å; L294-W314 HydrophobicContact CD2-CZ2 4.05Å; L294-D431 WeakPolarHBondContact O-CB 3.5Å; L294-F444 HydrophobicContact CD1-CB 4.41Å; L294-F444 HydrophobicContact CD1-CD1 3.95Å; L294-F444 HydrophobicContact CD1-CG 4.23Å; L294-T467 HydrophobicContact CD1-CG2 4.06Å; L294-M472 HydrophobicContact CD2-CE 4.06Å
295	D	96.9	Very high	85	Confident	35 Å²	35	50.4 Å²	50.4	19%	0.187	30%	0.297	C	S	.	.	S	Bend	trans	-104.8	-31.7	172.1	-69.5	-10.6	0	0	0	111.4	F308 G310 V338 D339 D431	D295-F308 HydrophobicContact CB-CB 4.5Å; D295-F308 PolarHBondContact N-O 3.47Å; D295-G310 WeakPolarHBondContact OD2-CA 3.3Å; D295-G310 PolarHBondContact OD2-N 2.78Å; D295-V338 WeakPolarHBondContact CB-O 3.34Å; D295-D339 VanDerWaalsContact O-O 3.1Å; D295-D431 CarbonylContact C-O 3.51Å; D295-D431 VanDerWaalsContact O-O 3.05Å
296	A	97.8	Very high	86.3	Confident	2 Å²	2	47.6 Å²	47.6	2%	0.017	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	157.7	175.3	0	0	0	0	0	111.1	F308 V338 A341	A296-F308 HydrophobicContact CB-CB 4.08Å; A296-F308 HydrophobicContact CB-CD2 3.88Å; A296-F308 HydrophobicContact CB-CG 4.22Å; A296-F308 PolarHBondContact O-N 3.03Å; A296-V338 HydrophobicContact CB-CG2 4.18Å; A296-A341 HydrophobicContact CB-CB 3.77Å
297	V	97.5	Very high	87.3	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.012	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	130	171.1	-179.2	0	0	0	0	108.2	L294 T305 Y306 V307 A432 A433 V434 F444	L294-V297 HydrophobicContact CD1-CG2 3.95Å; V297-T305 HydrophobicContact CG1-CG2 3.71Å; V297-Y306 CarbonylContact C-O 3.59Å; V297-Y306 WeakPolarHBondContact CA-O 3.31Å; V297-V307 HydrophobicContact CG1-CG2 4.47Å; V297-V307 HydrophobicContact CG2-CG1 4.36Å; V297-V307 HydrophobicContact CG2-CG2 4.33Å; V297-A432 HydrophobicContact CB-CB 4.13Å; V297-A432 HydrophobicContact CG2-CB 3.71Å; V297-A433 VanDerWaalsContact O-O 3.08Å; V297-V434 HydrophobicContact CB-CB 4.34Å; V297-V434 HydrophobicContact CG1-CB 3.93Å; V297-V434 HydrophobicContact CG1-CG1 3.81Å; V297-V434 HydrophobicContact CG1-CG2 4.37Å; V297-F444 HydrophobicContact CB-CD2 4.45Å; V297-F444 HydrophobicContact CB-CE2 4.05Å; V297-F444 HydrophobicContact CG1-CE2 4.21Å; V297-F444 HydrophobicContact CG1-CZ 4.42Å; V297-F444 HydrophobicContact CG2-CD2 4.01Å; V297-F444 HydrophobicContact CG2-CE2 3.86Å; V297-F444 HydrophobicContact CG2-CG 4.49Å; V297-F444 HydrophobicContact CG2-CZ 4.21Å
298	M	96.1	Very high	87.8	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	125.7	-177.2	179	-175.8	64.3	0	0	110.8	A300 Y306 F308 W331 A341 F352	M298-A300 HydrophobicContact CE-CB 4.05Å; M298-Y306 HydrophobicContact CE-CD2 4.14Å; M298-Y306 HydrophobicContact CE-CG 4.41Å; M298-Y306 PolarHBondContact N-O 3.42Å; M298-Y306 PolarHBondContact O-N 2.74Å; M298-F308 HydrophobicContact CB-CE2 4.14Å; M298-F308 HydrophobicContact CE-CE2 4.42Å; M298-F308 HydrophobicContact CE-CZ 4.18Å; M298-W331 HydrophobicContact CE-CH2 4.12Å; M298-W331 HydrophobicContact CE-CZ2 4Å; M298-A341 HydrophobicContact CB-CB 4.02Å; M298-A341 HydrophobicContact SD-CB 4.34Å; M298-F352 HydrophobicContact CE-CE1 4.04Å; M298-F352 HydrophobicContact CE-CZ 3.94Å; M298-F352 HydrophobicContact SD-CE1 4.32Å; M298-F352 HydrophobicContact SD-CZ 4.34Å
299	L	93.4	Very high	88.2	Confident	19 Å²	19	41.1 Å²	41.1	10%	0.099	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	114	169.3	177.5	66.7	0	0	0	110	Y343 V434 T437	L299-Y343 VanDerWaalsContact O-CB 3.24Å; L299-Y343 WeakPolarHBondContact O-CB 3.27Å; L299-V434 HydrophobicContact CB-CG2 3.75Å; L299-T437 HydrophobicContact CD1-CG2 3.85Å; L299-T437 HydrophobicContact CD2-CG2 3.6Å; L299-T437 HydrophobicContact CG-CG2 4.35Å
300	A	82.4	Confident	88.4	Confident	8 Å²	8	41.7 Å²	41.7	7%	0.066	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	156.7	179.2	0	0	0	0	0	112.7	M298 S303 K304 Y306 Y343	M298-A300 HydrophobicContact CE-CB 4.05Å; A300-S303 CarbonylContact O-C 3.58Å; A300-S303 PolarHBondContact O-N 3.4Å; A300-K304 PolarHBondContact N-O 2.83Å; A300-K304 PolarHBondContact O-N 2.97Å; A300-Y306 HydrophobicContact CB-CD2 4.08Å; A300-Y306 HydrophobicContact CB-CE2 3.88Å; A300-Y343 HydrophobicContact CB-CD2 4.13Å; A300-Y343 HydrophobicContact CB-CG 4.09Å
301	P	65.8	Low	88.5	Confident	69 Å²	69	41.2 Å²	41.2	45%	0.448	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	151.9	-176.9	-24	35.1	0	0	0	114.5	Y343	P301-Y343 VanDerWaalsContact CD-CE2 3.5Å; P301-Y343 HydrophobicContact CG-CD1 4.4Å; P301-Y343 HydrophobicContact CG-CE1 3.57Å; P301-Y343 HydrophobicContact CG-CE2 4.09Å; P301-Y343 WeakPolarHBondContact CG-OH 3.44Å
302	P	55.3	Low	88.5	Confident	106 Å²	106	34.5 Å²	34.5	69%	0.688	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	cis	-82.8	92.1	-10.1	32.5	-30.3	0	0	0	110.2	K304	P302-K304 VanDerWaalsContact C-N 3.33Å; P302-K304 PolarHBondContact O-N 3.39Å
303	S	71.6	Confident	88.6	Confident	90 Å²	90	33.5 Å²	33.5	63%	0.629	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	55	35.5	177	-55.4	0	0	0	0	116.3	A300	A300-S303 CarbonylContact O-C 3.58Å; A300-S303 PolarHBondContact O-N 3.4Å
304	K	81.6	Confident	88.5	Confident	83 Å²	83	27.2 Å²	27.2	36%	0.361	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	126.5	172	-67.6	-172.9	178.3	-175.6	0	110.4	A300 P302 Y306 T315	A300-K304 PolarHBondContact N-O 2.83Å; A300-K304 PolarHBondContact O-N 2.97Å; P302-K304 VanDerWaalsContact C-N 3.33Å; P302-K304 PolarHBondContact O-N 3.39Å; K304-Y306 HydrophobicContact CB-CD2 4.3Å; K304-Y306 HydrophobicContact CB-CE2 3.63Å; K304-Y306 WeakPolarHBondContact O-CD2 3.48Å; K304-T315 HydrophobicContact CB-CG2 4.39Å; K304-T315 HydrophobicContact CD-CG2 4.43Å
305	T	91	Very high	88.1	Confident	3 Å²	3	28.1 Å²	28.1	2%	0.018	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	113.8	169.6	-53.1	0	0	0	0	108.9	V297 T315 V316 W436 W471	V297-T305 HydrophobicContact CG1-CG2 3.71Å; T305-T315 CarbonylContact O-C 3.56Å; T305-T315 WeakPolarHBondContact O-CA 3.12Å; T305-V316 VanDerWaalsContact CB-CG2 3.5Å; T305-V316 HydrophobicContact CG2-CG2 3.52Å; T305-V316 PolarHBondContact O-N 3.37Å; T305-W436 PolarHBondContact OG1-NE1 3.3Å; T305-W471 HydrophobicContact CG2-CE3 4.4Å; T305-W471 HydrophobicContact CG2-CZ3 3.82Å
306	Y	94.4	Very high	87.4	Confident	35 Å²	35	27 Å²	27	14%	0.137	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	134.5	173.7	-65.1	-93.1	0	0	0	109.9	V297 M298 A300 K304 V313 W314 T315 L330 W331	V297-Y306 CarbonylContact C-O 3.59Å; V297-Y306 WeakPolarHBondContact CA-O 3.31Å; M298-Y306 HydrophobicContact CE-CD2 4.14Å; M298-Y306 HydrophobicContact CE-CG 4.41Å; M298-Y306 PolarHBondContact N-O 3.42Å; M298-Y306 PolarHBondContact O-N 2.74Å; A300-Y306 HydrophobicContact CB-CD2 4.08Å; A300-Y306 HydrophobicContact CB-CE2 3.88Å; K304-Y306 HydrophobicContact CB-CD2 4.3Å; K304-Y306 HydrophobicContact CB-CE2 3.63Å; K304-Y306 WeakPolarHBondContact O-CD2 3.48Å; Y306-V313 HydrophobicContact CD1-CG2 3.92Å; Y306-V313 HydrophobicContact CG-CG2 4.5Å; Y306-W314 CarbonylContact C-O 3.52Å; Y306-W314 WeakPolarHBondContact CA-O 3.21Å; Y306-T315 HydrophobicContact CD1-CG2 3.6Å; Y306-T315 HydrophobicContact CE1-CG2 3.51Å; Y306-T315 HydrophobicContact CG-CG2 4.21Å; Y306-L330 HydrophobicContact CD1-CD1 4.25Å; Y306-L330 HydrophobicContact CE1-CD1 3.87Å; Y306-W331 AromaticContact CD1-CH2 3.92Å; Y306-W331 HydrophobicContact CD1-CH2 3.92Å; Y306-W331 HydrophobicContact CE1-CH2 4.16Å; Y306-W331 HydrophobicContact CG-CH2 4.29Å
307	V	95.8	Very high	86.4	Confident	2 Å²	2	29.8 Å²	29.8	1%	0.012	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	131.1	175.7	-177.6	0	0	0	0	108.6	L294 V297 V313 W314 V316 M472	L294-V307 HydrophobicContact CD1-CG1 4.17Å; L294-V307 HydrophobicContact CD2-CG1 3.34Å; L294-V307 HydrophobicContact CG-CG1 4.26Å; V297-V307 HydrophobicContact CG1-CG2 4.47Å; V297-V307 HydrophobicContact CG2-CG1 4.36Å; V297-V307 HydrophobicContact CG2-CG2 4.33Å; V307-V313 CarbonylContact O-C 3.56Å; V307-V313 VanDerWaalsContact O-CA 3.22Å; V307-V313 WeakPolarHBondContact O-CA 3.46Å; V307-V313 WeakPolarHBondContact O-CG2 3.11Å; V307-W314 HydrophobicContact CB-CD2 4.19Å; V307-W314 HydrophobicContact CB-CG 4.46Å; V307-W314 HydrophobicContact CB-CZ2 4.01Å; V307-W314 HydrophobicContact CG1-CD2 4.48Å; V307-W314 HydrophobicContact CG1-CH2 4.08Å; V307-W314 HydrophobicContact CG1-CZ2 3.44Å; V307-W314 VanDerWaalsContact CG1-CZ2 3.44Å; V307-W314 PolarHBondContact N-O 3.24Å; V307-W314 PolarHBondContact O-N 2.67Å; V307-V316 HydrophobicContact CG2-CG1 3.87Å; V307-V316 HydrophobicContact CG2-CG2 4.17Å; V307-M472 HydrophobicContact CB-CE 4.4Å; V307-M472 HydrophobicContact CG1-CE 3.93Å; V307-M472 HydrophobicContact CG2-CE 4.14Å
308	F	96	Very high	84.9	Confident	0 Å²	0	35 Å²	35	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	138.4	-174.6	-60.2	-99.8	0	0	0	110	D295 A296 M298 Y312 V313 I327 W331 V338 A341 F352	D295-F308 HydrophobicContact CB-CB 4.5Å; D295-F308 PolarHBondContact N-O 3.47Å; A296-F308 HydrophobicContact CB-CB 4.08Å; A296-F308 HydrophobicContact CB-CD2 3.88Å; A296-F308 HydrophobicContact CB-CG 4.22Å; A296-F308 PolarHBondContact O-N 3.03Å; M298-F308 HydrophobicContact CB-CE2 4.14Å; M298-F308 HydrophobicContact CE-CE2 4.42Å; M298-F308 HydrophobicContact CE-CZ 4.18Å; F308-Y312 WeakPolarHBondContact CA-O 3.35Å; F308-V313 HydrophobicContact CD1-CB 3.92Å; F308-V313 HydrophobicContact CD1-CG2 3.85Å; F308-V313 HydrophobicContact CD2-CG2 4.44Å; F308-V313 HydrophobicContact CE1-CB 4Å; F308-V313 HydrophobicContact CE1-CG2 3.63Å; F308-V313 HydrophobicContact CE2-CG2 4.23Å; F308-V313 HydrophobicContact CG-CG2 4.24Å; F308-V313 HydrophobicContact CZ-CG2 3.81Å; F308-I327 HydrophobicContact CD1-CD1 3.8Å; F308-I327 HydrophobicContact CD1-CG1 3.91Å; F308-I327 HydrophobicContact CE1-CG1 4.34Å; F308-W331 HydrophobicContact CE1-CE3 4.17Å; F308-W331 HydrophobicContact CE1-CH2 4.12Å; F308-W331 AromaticContact CE1-CZ3 3.5Å; F308-W331 HydrophobicContact CE1-CZ3 3.5Å; F308-W331 AromaticContact CZ-CH2 3.76Å; F308-W331 HydrophobicContact CZ-CH2 3.76Å; F308-W331 AromaticContact CZ-CZ3 3.65Å; F308-W331 HydrophobicContact CZ-CZ3 3.65Å; F308-V338 HydrophobicContact CB-CG2 3.96Å; F308-V338 HydrophobicContact CD1-CG2 3.94Å; F308-V338 HydrophobicContact CG-CG2 4Å; F308-A341 HydrophobicContact CD2-CB 4.27Å; F308-A341 HydrophobicContact CE2-CB 3.95Å; F308-A341 HydrophobicContact CZ-CB 4.39Å; F308-F352 AromaticContact CE1-CE1 3.92Å; F308-F352 HydrophobicContact CE1-CE1 3.92Å; F308-F352 HydrophobicContact CZ-CD1 4.49Å; F308-F352 AromaticContact CZ-CE1 3.66Å; F308-F352 HydrophobicContact CZ-CE1 3.66Å
309	S	94.9	Very high	83	Confident	15 Å²	15	39.8 Å²	39.8	11%	0.105	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	119.6	172.6	-177.9	0	0	0	0	110.3	K293 Q311 Y312 W314	K293-S309 WeakPolarHBondContact O-CB 3.28Å; K293-S309 PolarHBondContact O-OG 3.23Å; S309-Q311 PolarHBondContact O-N 2.73Å; S309-Y312 PolarHBondContact N-O 3.41Å; S309-Y312 WeakPolarHBondContact O-CB 3.41Å; S309-Y312 PolarHBondContact O-N 2.86Å; S309-W314 VanDerWaalsContact CB-CH2 3.45Å
310	G	91.8	Very high	81.8	Confident	22 Å²	22	39.3 Å²	39.3	23%	0.227	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	-130.9	-170.3	0	0	0	0	0	110.6	D295 Y312 I327 S337	D295-G310 WeakPolarHBondContact OD2-CA 3.3Å; D295-G310 PolarHBondContact OD2-N 2.78Å; G310-Y312 PolarHBondContact O-N 2.56Å; G310-I327 VanDerWaalsContact O-CD1 3.27Å; G310-I327 WeakPolarHBondContact O-CD1 3.41Å; G310-S337 WeakPolarHBondContact CA-OG 3.25Å; G310-S337 VanDerWaalsContact O-CA 3.27Å; G310-S337 WeakPolarHBondContact O-CA 3.35Å; G310-S337 PolarHBondContact O-N 3.37Å
311	Q	89	Confident	81.6	Confident	32 Å²	32	42.4 Å²	42.4	15%	0.15	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	4.9	177.5	68.7	-166.1	-3.3	0	0	114.6	V281 P282 S309 V326 I327	V281-Q311 VanDerWaalsContact CG1-OE1 3.25Å; P282-Q311 PolarHBondContact O-NE2 2.98Å; S309-Q311 PolarHBondContact O-N 2.73Å; Q311-V326 CarbonylContact O-C 3.47Å; Q311-V326 VanDerWaalsContact O-CA 3.3Å; Q311-V326 WeakPolarHBondContact O-CA 3.34Å; Q311-I327 PolarHBondContact O-N 3.11Å
312	Y	89.3	Confident	82.2	Confident	35 Å²	35	42.1 Å²	42.1	14%	0.137	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	154.8	-172.5	-61.7	-88.8	0	0	0	112.7	G284 A286 P287 F308 S309 G310 P324 T325 V326	G284-Y312 PolarHBondContact O-OH 3.09Å; A286-Y312 HydrophobicContact CB-CD1 4.37Å; A286-Y312 HydrophobicContact CB-CE1 4.06Å; P287-Y312 VanDerWaalsContact CD-CG 3.49Å; P287-Y312 HydrophobicContact CG-CD2 4.01Å; P287-Y312 HydrophobicContact CG-CG 4.17Å; F308-Y312 WeakPolarHBondContact CA-O 3.35Å; S309-Y312 PolarHBondContact N-O 3.41Å; S309-Y312 WeakPolarHBondContact O-CB 3.41Å; S309-Y312 PolarHBondContact O-N 2.86Å; G310-Y312 PolarHBondContact O-N 2.56Å; Y312-P324 HydrophobicContact CD1-CB 4.36Å; Y312-T325 CarbonylContact C-O 3.53Å; Y312-T325 WeakPolarHBondContact CA-O 3.44Å; Y312-V326 HydrophobicContact CD1-CG1 4.18Å; Y312-V326 HydrophobicContact CE1-CG1 3.85Å
313	V	92.8	Very high	83.1	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.006	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	142	173.8	61.3	0	0	0	0	109.6	Y306 V307 F308 T325 I327 L330 W331	Y306-V313 HydrophobicContact CD1-CG2 3.92Å; Y306-V313 HydrophobicContact CG-CG2 4.5Å; V307-V313 CarbonylContact O-C 3.56Å; V307-V313 VanDerWaalsContact O-CA 3.22Å; V307-V313 WeakPolarHBondContact O-CA 3.46Å; V307-V313 WeakPolarHBondContact O-CG2 3.11Å; F308-V313 HydrophobicContact CD1-CB 3.92Å; F308-V313 HydrophobicContact CD1-CG2 3.85Å; F308-V313 HydrophobicContact CD2-CG2 4.44Å; F308-V313 HydrophobicContact CE1-CB 4Å; F308-V313 HydrophobicContact CE1-CG2 3.63Å; F308-V313 HydrophobicContact CE2-CG2 4.23Å; F308-V313 HydrophobicContact CG-CG2 4.24Å; F308-V313 HydrophobicContact CZ-CG2 3.81Å; V313-T325 HydrophobicContact CG1-CG2 3.87Å; V313-T325 PolarHBondContact N-O 3.23Å; V313-T325 PolarHBondContact O-N 2.9Å; V313-I327 HydrophobicContact CB-CG1 3.97Å; V313-I327 HydrophobicContact CG1-CG1 4.1Å; V313-L330 HydrophobicContact CG1-CD1 3.78Å; V313-L330 HydrophobicContact CG1-CG 4.46Å; V313-W331 HydrophobicContact CG1-CZ3 4.33Å; V313-W331 HydrophobicContact CG2-CZ3 4.29Å
314	W	89.7	Confident	83.7	Confident	2 Å²	2	38.3 Å²	38.3	1%	0.008	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	168.3	169.9	58	99.5	0	0	0	109.7	P287 P289 A292 L294 Y306 V307 S309 N322 P324 M472	P287-W314 HydrophobicContact CG-CZ3 4.08Å; P289-W314 HydrophobicContact CB-CD2 4.42Å; P289-W314 HydrophobicContact CB-CZ2 4.08Å; P289-W314 HydrophobicContact CG-CD2 4.24Å; P289-W314 HydrophobicContact CG-CG 4.43Å; A292-W314 HydrophobicContact CB-CH2 3.62Å; A292-W314 HydrophobicContact CB-CZ2 4.13Å; L294-W314 HydrophobicContact CD2-CH2 4.4Å; L294-W314 HydrophobicContact CD2-CZ2 4.05Å; Y306-W314 CarbonylContact C-O 3.52Å; Y306-W314 WeakPolarHBondContact CA-O 3.21Å; V307-W314 HydrophobicContact CB-CD2 4.19Å; V307-W314 HydrophobicContact CB-CG 4.46Å; V307-W314 HydrophobicContact CB-CZ2 4.01Å; V307-W314 HydrophobicContact CG1-CD2 4.48Å; V307-W314 HydrophobicContact CG1-CH2 4.08Å; V307-W314 HydrophobicContact CG1-CZ2 3.44Å; V307-W314 VanDerWaalsContact CG1-CZ2 3.44Å; V307-W314 PolarHBondContact N-O 3.24Å; V307-W314 PolarHBondContact O-N 2.67Å; S309-W314 VanDerWaalsContact CB-CH2 3.45Å; W314-N322 VanDerWaalsContact CA-OD1 3.29Å; W314-N322 WeakPolarHBondContact CA-OD1 3.2Å; W314-N322 VanDerWaalsContact CB-OD1 3.24Å; W314-N322 WeakPolarHBondContact CB-OD1 3.39Å; W314-P324 HydrophobicContact CB-CG 4.39Å; W314-P324 HydrophobicContact CD2-CG 4.41Å; W314-P324 HydrophobicContact CE3-CB 4.05Å; W314-P324 HydrophobicContact CE3-CG 4.07Å; W314-M472 HydrophobicContact CZ2-CE 3.88Å; W314-M472 PolarHBondContact NE1-SD 2.91Å; W314-M472 VanDerWaalsContact NE1-SD 3.38Å
315	T	87.9	Confident	83.6	Confident	28 Å²	28	36.9 Å²	36.9	17%	0.172	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	137.4	173.4	58.7	0	0	0	0	110.3	K304 T305 Y306 F321 N322	K304-T315 HydrophobicContact CB-CG2 4.39Å; K304-T315 HydrophobicContact CD-CG2 4.43Å; T305-T315 CarbonylContact O-C 3.56Å; T305-T315 WeakPolarHBondContact O-CA 3.12Å; Y306-T315 HydrophobicContact CD1-CG2 3.6Å; Y306-T315 HydrophobicContact CE1-CG2 3.51Å; Y306-T315 HydrophobicContact CG-CG2 4.21Å; T315-F321 WeakPolarHBondContact O-CA 3.19Å; T315-N322 PolarHBondContact N-OD1 2.98Å; T315-N322 PolarHBondContact O-N 3.17Å; T315-N322 VanDerWaalsContact OG1-CG 3.25Å; T315-N322 PolarHBondContact OG1-ND2 2.92Å; T315-N322 VanDerWaalsContact OG1-ND2 3.17Å; T315-N322 PolarHBondContact OG1-OD1 2.88Å
316	V	82.2	Confident	83.1	Confident	11 Å²	11	39.3 Å²	39.3	7%	0.067	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	143.3	174.6	-58.3	0	0	0	0	110.7	T305 V307 F321 W471 M472	T305-V316 VanDerWaalsContact CB-CG2 3.5Å; T305-V316 HydrophobicContact CG2-CG2 3.52Å; T305-V316 PolarHBondContact O-N 3.37Å; V307-V316 HydrophobicContact CG2-CG1 3.87Å; V307-V316 HydrophobicContact CG2-CG2 4.17Å; V316-F321 HydrophobicContact CG1-CB 4.16Å; V316-W471 HydrophobicContact CG2-CE3 4.2Å; V316-M472 HydrophobicContact CG1-CE 4.24Å; V316-M472 HydrophobicContact CG1-SD 3.5Å; V316-M472 WeakPolarHBondContact CG1-SD 3.39Å
317	S	75.6	Confident	82.5	Confident	60 Å²	60	37.7 Å²	37.7	42%	0.42	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	-180	174.5	65.2	0	0	0	0	110.2	S319 G320	S317-S319 PolarHBondContact O-N 3.46Å; S317-S319 PolarHBondContact OG-N 3.39Å; S317-S319 PolarHBondContact OG-OG 2.83Å; S317-G320 PolarHBondContact N-O 3.16Å; S317-G320 PolarHBondContact O-N 2.84Å; S317-G320 PolarHBondContact OG-O 3.06Å
318	S	66.3	Low	81.6	Confident	113 Å²	113	40.7 Å²	40.7	79%	0.79	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	0.8	172.7	61	0	0	0	0	114.4	Q473	S318-Q473 PolarHBondContact O-NE2 3.05Å; S318-Q473 PolarHBondContact O-OE1 3.21Å
319	S	56.3	Low	80.4	Confident	101 Å²	101	43.7 Å²	43.7	71%	0.706	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.5	23.4	178.5	63.3	0	0	0	0	111.8	S317 Q473	S317-S319 PolarHBondContact O-N 3.46Å; S317-S319 PolarHBondContact OG-N 3.39Å; S317-S319 PolarHBondContact OG-OG 2.83Å; S319-Q473 VanDerWaalsContact C-OE1 3.32Å
320	G	68.6	Low	79.6	Confident	9 Å²	9	45.2 Å²	45.2	9%	0.093	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	96.1	-150.6	-179.7	0	0	0	0	0	113.4	S317	S317-G320 PolarHBondContact N-O 3.16Å; S317-G320 PolarHBondContact O-N 2.84Å; S317-G320 PolarHBondContact OG-O 3.06Å
321	F	78.6	Confident	79.3	Confident	74 Å²	74	44.8 Å²	44.8	33%	0.325	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	155.5	-178.3	55	-95.3	0	0	0	112.3	P289 T315 V316 M472	P289-F321 HydrophobicContact CB-CD1 3.9Å; P289-F321 HydrophobicContact CB-CD2 3.79Å; P289-F321 HydrophobicContact CB-CE1 3.91Å; P289-F321 HydrophobicContact CB-CE2 3.78Å; P289-F321 HydrophobicContact CB-CG 3.83Å; P289-F321 HydrophobicContact CB-CZ 3.84Å; P289-F321 HydrophobicContact CG-CD2 3.51Å; P289-F321 HydrophobicContact CG-CE1 4.49Å; P289-F321 HydrophobicContact CG-CE2 3.44Å; P289-F321 VanDerWaalsContact CG-CE2 3.44Å; P289-F321 HydrophobicContact CG-CG 4.07Å; P289-F321 HydrophobicContact CG-CZ 3.97Å; T315-F321 WeakPolarHBondContact O-CA 3.19Å; V316-F321 HydrophobicContact CG1-CB 4.16Å; F321-M472 HydrophobicContact CD1-CB 4.01Å; F321-M472 VanDerWaalsContact CD1-O 3.29Å; F321-M472 WeakPolarHBondContact CD1-O 3.38Å; F321-M472 HydrophobicContact CD1-SD 4.47Å; F321-M472 HydrophobicContact CE1-CB 4.27Å
322	N	77.3	Confident	78.7	Confident	62 Å²	62	51.4 Å²	51.4	33%	0.332	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-85	168.1	168.8	75.6	-12.6	0	0	0	111.7	W314 T315 P324	W314-N322 VanDerWaalsContact CA-OD1 3.29Å; W314-N322 WeakPolarHBondContact CA-OD1 3.2Å; W314-N322 VanDerWaalsContact CB-OD1 3.24Å; W314-N322 WeakPolarHBondContact CB-OD1 3.39Å; T315-N322 PolarHBondContact N-OD1 2.98Å; T315-N322 PolarHBondContact O-N 3.17Å; T315-N322 VanDerWaalsContact OG1-CG 3.25Å; T315-N322 PolarHBondContact OG1-ND2 2.92Å; T315-N322 VanDerWaalsContact OG1-ND2 3.17Å; T315-N322 PolarHBondContact OG1-OD1 2.88Å; N322-P324 WeakPolarHBondContact O-CD 3.38Å
323	T	75.1	Confident	78.5	Confident	98 Å²	98	54.2 Å²	54.2	60%	0.601	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-60.4	129.1	177.1	-47.1	0	0	0	0	111	T325	T323-T325 PolarHBondContact O-N 2.86Å
324	P	82.6	Confident	78.3	Confident	18 Å²	18	54.4 Å²	54.4	12%	0.117	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-55.4	132.5	174.9	-26.7	35.4	0	0	0	112.3	A286 P287 P289 Y312 W314 N322	A286-P324 HydrophobicContact CB-CB 4.3Å; P287-P324 WeakPolarHBondContact O-CG 3.29Å; P289-P324 HydrophobicContact CG-CG 3.59Å; Y312-P324 HydrophobicContact CD1-CB 4.36Å; W314-P324 HydrophobicContact CB-CG 4.39Å; W314-P324 HydrophobicContact CD2-CG 4.41Å; W314-P324 HydrophobicContact CE3-CB 4.05Å; W314-P324 HydrophobicContact CE3-CG 4.07Å; N322-P324 WeakPolarHBondContact O-CD 3.38Å
325	T	79.6	Confident	78.1	Confident	54 Å²	54	56 Å²	56	33%	0.331	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	159.2	176	-168.4	0	0	0	0	110.1	Y312 V313 T323	Y312-T325 CarbonylContact C-O 3.53Å; Y312-T325 WeakPolarHBondContact CA-O 3.44Å; V313-T325 HydrophobicContact CG1-CG2 3.87Å; V313-T325 PolarHBondContact N-O 3.23Å; V313-T325 PolarHBondContact O-N 2.9Å; T323-T325 PolarHBondContact O-N 2.86Å
326	V	81.1	Confident	78	Confident	54 Å²	54	55.8 Å²	55.8	33%	0.327	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	138.4	177.2	-65.9	0	0	0	0	110.7	Q311 Y312 S328 A329	Q311-V326 CarbonylContact O-C 3.47Å; Q311-V326 VanDerWaalsContact O-CA 3.3Å; Q311-V326 WeakPolarHBondContact O-CA 3.34Å; Y312-V326 HydrophobicContact CD1-CG1 4.18Å; Y312-V326 HydrophobicContact CE1-CG1 3.85Å; V326-S328 PolarHBondContact O-N 3.15Å; V326-A329 HydrophobicContact CG2-CB 3.93Å; V326-A329 WeakPolarHBondContact O-CB 3.49Å; V326-A329 PolarHBondContact O-N 3.02Å
327	I	82.1	Confident	78.4	Confident	1 Å²	1	57.9 Å²	57.9	1%	0.005	35%	0.351	C	S	.	.	H	α-helix	trans	-53.8	-40.9	-179.3	-71.7	167.6	0	0	0	111.3	F308 G310 Q311 V313 A329 L330 W331 L334	F308-I327 HydrophobicContact CD1-CD1 3.8Å; F308-I327 HydrophobicContact CD1-CG1 3.91Å; F308-I327 HydrophobicContact CE1-CG1 4.34Å; G310-I327 VanDerWaalsContact O-CD1 3.27Å; G310-I327 WeakPolarHBondContact O-CD1 3.41Å; Q311-I327 PolarHBondContact O-N 3.11Å; V313-I327 HydrophobicContact CB-CG1 3.97Å; V313-I327 HydrophobicContact CG1-CG1 4.1Å; I327-A329 PolarHBondContact O-N 2.87Å; I327-A329 VanDerWaalsContact O-N 3.1Å; I327-L330 PolarHBondContact O-N 3.21Å; I327-W331 HydrophobicContact CG2-CE3 4.17Å; I327-W331 PolarHBondContact O-N 3.23Å; I327-L334 HydrophobicContact CG2-CB 4.2Å; I327-L334 HydrophobicContact CG2-CD2 3.51Å; I327-L334 HydrophobicContact CG2-CG 3.93Å
328	S	77.6	Confident	79.4	Confident	65 Å²	65	55 Å²	55	46%	0.455	33%	0.331	S	S	.	.	H	α-helix	trans	-64.5	-13.5	179.7	63.5	0	0	0	0	114.2	V326 W331 K332	V326-S328 PolarHBondContact O-N 3.15Å; S328-W331 WeakPolarHBondContact CA-O 3.21Å; S328-K332 WeakPolarHBondContact O-CA 3.49Å
329	A	71.1	Confident	80.8	Confident	62 Å²	62	51.7 Å²	51.7	51%	0.512	30%	0.304	S	S	.	.	H	α-helix	trans	-73.2	-30.5	172.4	0	0	0	0	0	112.1	V326 I327	V326-A329 HydrophobicContact CG2-CB 3.93Å; V326-A329 WeakPolarHBondContact O-CB 3.49Å; V326-A329 PolarHBondContact O-N 3.02Å; I327-A329 PolarHBondContact O-N 2.87Å; I327-A329 VanDerWaalsContact O-N 3.1Å
330	L	76.3	Confident	82.8	Confident	48 Å²	48	46.9 Å²	46.9	25%	0.251	27%	0.271	S	S	.	.	H	α-helix	trans	-96.5	-35.9	178.1	-61.7	-176.6	0	0	0	111.9	Y306 V313 I327 S364	Y306-L330 HydrophobicContact CD1-CD1 4.25Å; Y306-L330 HydrophobicContact CE1-CD1 3.87Å; V313-L330 HydrophobicContact CG1-CD1 3.78Å; V313-L330 HydrophobicContact CG1-CG 4.46Å; I327-L330 PolarHBondContact O-N 3.21Å; L330-S364 VanDerWaalsContact O-CB 3.25Å; L330-S364 WeakPolarHBondContact O-CB 3.47Å
331	W	86.4	Confident	84.2	Confident	13 Å²	13	46.5 Å²	46.5	5%	0.049	27%	0.267	C	S	.	.	S	Bend	trans	-131.5	89.1	-178.5	-60.8	-75.1	0	0	0	110	M298 Y306 F308 V313 I327 S328 E333 L334 F352 Y361 G363	M298-W331 HydrophobicContact CE-CH2 4.12Å; M298-W331 HydrophobicContact CE-CZ2 4Å; Y306-W331 AromaticContact CD1-CH2 3.92Å; Y306-W331 HydrophobicContact CD1-CH2 3.92Å; Y306-W331 HydrophobicContact CE1-CH2 4.16Å; Y306-W331 HydrophobicContact CG-CH2 4.29Å; F308-W331 HydrophobicContact CE1-CE3 4.17Å; F308-W331 HydrophobicContact CE1-CH2 4.12Å; F308-W331 AromaticContact CE1-CZ3 3.5Å; F308-W331 HydrophobicContact CE1-CZ3 3.5Å; F308-W331 AromaticContact CZ-CH2 3.76Å; F308-W331 HydrophobicContact CZ-CH2 3.76Å; F308-W331 AromaticContact CZ-CZ3 3.65Å; F308-W331 HydrophobicContact CZ-CZ3 3.65Å; V313-W331 HydrophobicContact CG1-CZ3 4.33Å; V313-W331 HydrophobicContact CG2-CZ3 4.29Å; I327-W331 HydrophobicContact CG2-CE3 4.17Å; I327-W331 PolarHBondContact O-N 3.23Å; S328-W331 WeakPolarHBondContact CA-O 3.21Å; W331-E333 VanDerWaalsContact C-N 3.28Å; W331-E333 PolarHBondContact O-N 3.31Å; W331-E333 VanDerWaalsContact O-N 3.14Å; W331-L334 HydrophobicContact CB-CB 3.56Å; W331-L334 HydrophobicContact CB-CD2 3.86Å; W331-L334 HydrophobicContact CB-CG 4.38Å; W331-L334 HydrophobicContact CD2-CD2 4.28Å; W331-L334 HydrophobicContact CE3-CD2 4.2Å; W331-L334 HydrophobicContact CG-CD2 4.15Å; W331-L334 WeakPolarHBondContact O-CB 3.03Å; W331-L334 PolarHBondContact O-N 3.43Å; W331-F352 AromaticContact CD1-CE2 3.86Å; W331-F352 HydrophobicContact CD2-CE1 4.36Å; W331-F352 HydrophobicContact CD2-CE2 4.07Å; W331-F352 AromaticContact CD2-CZ 3.63Å; W331-F352 HydrophobicContact CD2-CZ 3.63Å; W331-F352 AromaticContact CE2-CE2 3.89Å; W331-F352 AromaticContact CE2-CZ 3.36Å; W331-F352 HydrophobicContact CE3-CE1 4.39Å; W331-F352 HydrophobicContact CE3-CZ 4.09Å; W331-F352 HydrophobicContact CG-CE2 4.07Å; W331-F352 HydrophobicContact CG-CZ 4.14Å; W331-F352 HydrophobicContact CH2-CE1 4.42Å; W331-F352 HydrophobicContact CH2-CZ 4.08Å; W331-F352 HydrophobicContact CZ2-CE1 4.38Å; W331-F352 AromaticContact CZ2-CZ 3.62Å; W331-F352 HydrophobicContact CZ2-CZ 3.62Å; W331-F352 HydrophobicContact CZ3-CE1 4.42Å; W331-F352 HydrophobicContact CZ3-CZ 4.29Å; W331-F352 AromaticContact NE1-CE2 3.73Å; W331-F352 AromaticContact NE1-CZ 3.68Å; W331-Y361 HydrophobicContact CB-CE1 3.98Å; W331-Y361 HydrophobicContact CB-CE2 4.25Å; W331-Y361 AromaticContact CD1-CD1 3.53Å; W331-Y361 AromaticContact CD1-CD2 3.98Å; W331-Y361 AromaticContact CD1-CE1 3.82Å; W331-Y361 AromaticContact CD1-CG 3.62Å; W331-Y361 HydrophobicContact CG-CD1 4.42Å; W331-Y361 HydrophobicContact CG-CE1 4.32Å; W331-Y361 HydrophobicContact CG-CE2 4.47Å; W331-G363 PolarHBondContact NE1-O 2.67Å
332	K	76.1	Confident	85.1	Confident	171 Å²	171	43.1 Å²	43.1	74%	0.743	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-39.1	-167.2	-175.3	-178.5	179.6	-175.5	0	114.4	S328	S328-K332 WeakPolarHBondContact O-CA 3.49Å
333	E	85.8	Confident	86	Confident	94 Å²	94	42.1 Å²	42.1	44%	0.439	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	0.6	-176.9	-56.3	80.8	-175.5	0	0	113.5	W331 W359 Y361 L366	W331-E333 VanDerWaalsContact C-N 3.28Å; W331-E333 PolarHBondContact O-N 3.31Å; W331-E333 VanDerWaalsContact O-N 3.14Å; E333-W359 PolarHBondContact O-NE1 2.77Å; E333-Y361 PolarHBondContact N-OH 3.46Å; E333-L366 HydrophobicContact CB-CD2 3.83Å; E333-L366 HydrophobicContact CG-CD2 4.04Å
334	L	87.9	Confident	86.9	Confident	5 Å²	5	37.4 Å²	37.4	3%	0.026	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-84.1	122	-179.2	-174	65.7	0	0	0	109.3	I327 W331 V338 F352 W359 Y361	I327-L334 HydrophobicContact CG2-CB 4.2Å; I327-L334 HydrophobicContact CG2-CD2 3.51Å; I327-L334 HydrophobicContact CG2-CG 3.93Å; W331-L334 HydrophobicContact CB-CB 3.56Å; W331-L334 HydrophobicContact CB-CD2 3.86Å; W331-L334 HydrophobicContact CB-CG 4.38Å; W331-L334 HydrophobicContact CD2-CD2 4.28Å; W331-L334 HydrophobicContact CE3-CD2 4.2Å; W331-L334 HydrophobicContact CG-CD2 4.15Å; W331-L334 WeakPolarHBondContact O-CB 3.03Å; W331-L334 PolarHBondContact O-N 3.43Å; L334-V338 HydrophobicContact CD1-CG1 4.03Å; L334-V338 HydrophobicContact CD2-CG1 4.03Å; L334-V338 HydrophobicContact CG-CG1 4.03Å; L334-F352 HydrophobicContact CD1-CB 3.37Å; L334-F352 HydrophobicContact CD1-CD1 4.44Å; L334-F352 HydrophobicContact CD1-CD2 4.02Å; L334-F352 HydrophobicContact CD1-CG 3.71Å; L334-F352 HydrophobicContact CD2-CB 4.04Å; L334-F352 HydrophobicContact CD2-CD1 3.53Å; L334-F352 HydrophobicContact CD2-CD2 3.75Å; L334-F352 HydrophobicContact CD2-CE1 3.85Å; L334-F352 HydrophobicContact CD2-CE2 4.04Å; L334-F352 HydrophobicContact CD2-CG 3.48Å; L334-F352 VanDerWaalsContact CD2-CG 3.48Å; L334-F352 HydrophobicContact CD2-CZ 4.1Å; L334-F352 HydrophobicContact CG-CB 4.38Å; L334-F352 HydrophobicContact CG-CG 4.29Å; L334-W359 HydrophobicContact CD1-CB 4.01Å; L334-W359 HydrophobicContact CD1-CD2 4.04Å; L334-W359 HydrophobicContact CD1-CE3 4.46Å; L334-W359 HydrophobicContact CD1-CG 3.83Å; L334-Y361 HydrophobicContact CB-CE2 4.27Å; L334-Y361 HydrophobicContact CD1-CE2 4.43Å; L334-Y361 PolarHBondContact N-OH 3.26Å
335	P	85.4	Confident	87.2	Confident	35 Å²	35	41.9 Å²	41.9	23%	0.227	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-61.9	144.4	170.8	26.5	-36.1	0	0	0	110.5	K354 W359	P335-K354 HydrophobicContact CB-CD 3.65Å; P335-K354 HydrophobicContact CG-CB 4.33Å; P335-K354 HydrophobicContact CG-CD 3.38Å; P335-K354 HydrophobicContact CG-CG 4.43Å; P335-W359 HydrophobicContact CG-CH2 3.86Å; P335-W359 HydrophobicContact CG-CZ2 3.63Å; P335-W359 HydrophobicContact CG-CZ3 4.49Å
336	G	85.3	Confident	87.7	Confident	23 Å²	23	43 Å²	43	24%	0.237	23%	0.233	C	C	.	.	S	Bend	trans	-63.8	171.2	167.8	0	0	0	0	0	111.8	K354	G336-K354 WeakPolarHBondContact O-CE 3.38Å; G336-K354 PolarHBondContact O-NZ 3.21Å
337	S	91	Very high	88.2	Confident	55 Å²	55	42.1 Å²	42.1	39%	0.385	23%	0.228	S	C	.	.	S	Bend	trans	54.2	62.6	-176.6	-56.5	0	0	0	0	110.7	G310 K354	G310-S337 WeakPolarHBondContact CA-OG 3.25Å; G310-S337 VanDerWaalsContact O-CA 3.27Å; G310-S337 WeakPolarHBondContact O-CA 3.35Å; G310-S337 PolarHBondContact O-N 3.37Å; S337-K354 WeakPolarHBondContact O-CD 3.46Å; S337-K354 WeakPolarHBondContact O-CE 3.49Å
338	V	96.1	Very high	88.6	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.006	24%	0.243	C	C	.	.			trans	-72.2	146.5	173.2	-67.3	0	0	0	0	109.1	D295 A296 F308 L334 F352	D295-V338 WeakPolarHBondContact CB-O 3.34Å; A296-V338 HydrophobicContact CB-CG2 4.18Å; F308-V338 HydrophobicContact CB-CG2 3.96Å; F308-V338 HydrophobicContact CD1-CG2 3.94Å; F308-V338 HydrophobicContact CG-CG2 4Å; L334-V338 HydrophobicContact CD1-CG1 4.03Å; L334-V338 HydrophobicContact CD2-CG1 4.03Å; L334-V338 HydrophobicContact CG-CG1 4.03Å; V338-F352 HydrophobicContact CG1-CB 4.37Å
339	D	97	Very high	89.4	Confident	42 Å²	42	42.7 Å²	42.7	23%	0.225	23%	0.231	C	C	.	.	S	Bend	trans	-84.4	-31.1	178.1	-48.4	-39.9	0	0	0	111.2	D295 L353 K354 G355 N380 I381	D295-D339 VanDerWaalsContact O-O 3.1Å; D339-L353 PolarHBondContact N-O 3.48Å; D339-K354 VanDerWaalsContact OD2-CA 3.22Å; D339-K354 WeakPolarHBondContact OD2-CA 3.35Å; D339-G355 PolarHBondContact OD2-N 2.87Å; D339-N380 WeakPolarHBondContact OD2-CA 3.28Å; D339-I381 CarbonylContact C-O 3.56Å; D339-I381 WeakPolarHBondContact CB-O 3.23Å; D339-I381 VanDerWaalsContact O-O 3.1Å
340	A	97.8	Very high	90.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	156	175.4	0	0	0	0	0	111.5	L353 I381 A384	A340-L353 HydrophobicContact CB-CB 4.19Å; A340-L353 HydrophobicContact CB-CD1 3.99Å; A340-L353 PolarHBondContact N-O 3.11Å; A340-L353 PolarHBondContact O-N 3.43Å; A340-I381 HydrophobicContact CB-CG2 4.06Å; A340-A384 HydrophobicContact CB-CB 3.74Å
341	A	97.8	Very high	91.6	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.008	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	139.4	177.1	0	0	0	0	0	110.6	A296 M298 F308 Y351 F352	A296-A341 HydrophobicContact CB-CB 3.77Å; M298-A341 HydrophobicContact CB-CB 4.02Å; M298-A341 HydrophobicContact SD-CB 4.34Å; F308-A341 HydrophobicContact CD2-CB 4.27Å; F308-A341 HydrophobicContact CE2-CB 3.95Å; F308-A341 HydrophobicContact CZ-CB 4.39Å; A341-Y351 WeakPolarHBondContact CA-O 3.29Å; A341-F352 HydrophobicContact CB-CD1 3.65Å; A341-F352 HydrophobicContact CB-CE1 3.89Å
342	V	97.6	Very high	92.1	Very high	4 Å²	4	37.3 Å²	37.3	2%	0.024	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	138.8	179.3	59	0	0	0	0	111.1	Y351 A384 L385 L393 F395	V342-Y351 PolarHBondContact N-O 3.08Å; V342-Y351 PolarHBondContact O-N 2.81Å; V342-A384 HydrophobicContact CB-CB 4.06Å; V342-A384 HydrophobicContact CG1-CB 4Å; V342-L385 VanDerWaalsContact CG2-C 3.41Å; V342-L393 HydrophobicContact CG1-CD1 3.84Å; V342-L393 HydrophobicContact CG1-CD2 4.21Å; V342-L393 HydrophobicContact CG1-CG 4.41Å; V342-L393 HydrophobicContact CG2-CD2 3.78Å; V342-F395 HydrophobicContact CG1-CE1 4.41Å
343	Y	96.2	Very high	93.2	Very high	40 Å²	40	29.2 Å²	29.2	16%	0.157	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	127.8	171.4	177.7	-99.2	0	0	0	110.3	L299 A300 P301 Q345 G348 K349 Y386	L299-Y343 VanDerWaalsContact O-CB 3.24Å; L299-Y343 WeakPolarHBondContact O-CB 3.27Å; A300-Y343 HydrophobicContact CB-CD2 4.13Å; A300-Y343 HydrophobicContact CB-CG 4.09Å; P301-Y343 VanDerWaalsContact CD-CE2 3.5Å; P301-Y343 HydrophobicContact CG-CD1 4.4Å; P301-Y343 HydrophobicContact CG-CE1 3.57Å; P301-Y343 HydrophobicContact CG-CE2 4.09Å; P301-Y343 WeakPolarHBondContact CG-OH 3.44Å; Y343-Q345 HydrophobicContact CD1-CG 4.21Å; Y343-Q345 HydrophobicContact CE1-CG 4.25Å; Y343-Q345 PolarHBondContact O-N 3.11Å; Y343-G348 VanDerWaalsContact CE2-C 3.5Å; Y343-G348 VanDerWaalsContact OH-CA 3.26Å; Y343-G348 WeakPolarHBondContact OH-CA 3.47Å; Y343-K349 WeakPolarHBondContact CD2-O 3.47Å; Y343-Y386 WeakPolarHBondContact O-CB 3.32Å
344	S	94.4	Very high	93.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	106.3	174.1	172.1	0	0	0	0	110.1	R346 T347 G348 K349 E406	S344-R346 PolarHBondContact O-N 3.33Å; S344-R346 PolarHBondContact OG-N 2.91Å; S344-T347 WeakPolarHBondContact CB-OG1 3.47Å; S344-T347 PolarHBondContact O-N 3.47Å; S344-T347 PolarHBondContact OG-N 3.05Å; S344-T347 PolarHBondContact OG-OG1 3.39Å; S344-G348 PolarHBondContact O-N 2.87Å; S344-K349 PolarHBondContact N-O 3.28Å; S344-E406 WeakPolarHBondContact CB-OE1 3.46Å; S344-E406 PolarHBondContact OG-OE1 3.09Å
345	Q	89.6	Confident	93.9	Very high	111 Å²	111	28 Å²	28	52%	0.519	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-25.4	171.5	-63.1	178.2	-14.1	0	0	112.1	Y343 Y386	Y343-Q345 HydrophobicContact CD1-CG 4.21Å; Y343-Q345 HydrophobicContact CE1-CG 4.25Å; Y343-Q345 PolarHBondContact O-N 3.11Å; Q345-Y386 HydrophobicContact CB-CD1 4.12Å; Q345-Y386 HydrophobicContact CB-CE1 3.81Å; Q345-Y386 HydrophobicContact CG-CD1 4.01Å; Q345-Y386 HydrophobicContact CG-CE1 4.14Å
346	R	89.6	Confident	94.3	Very high	77 Å²	77	29 Å²	29	29%	0.291	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-39.8	-179.5	-175.7	170.5	66.6	137.4	4.8	113.1	S344 Y386 K391 D405 E406 F407	S344-R346 PolarHBondContact O-N 3.33Å; S344-R346 PolarHBondContact OG-N 2.91Å; R346-Y386 HydrophobicContact CB-CE2 4.15Å; R346-K391 PolarHBondContact NE-O 2.9Å; R346-D405 IonicContact CZ-OD1 2.67Å; R346-D405 IonicContact NH1-OD1 3.78Å; R346-D405 PolarHBondContact NH1-OD1 3.13Å; R346-D405 IonicContact NH2-OD1 3.46Å; R346-D405 PolarHBondContact NH2-OD1 3.02Å; R346-E406 IonicContact CZ-OE2 3.84Å; R346-E406 IonicContact NE-OE1 3.46Å; R346-E406 IonicContact NE-OE2 2.78Å; R346-E406 VanDerWaalsContact NH2-CD 3.31Å; R346-E406 IonicContact NH2-OE1 3.09Å; R346-E406 IonicContact NH2-OE2 3.91Å; R346-E406 PolarHBondContact NH2-OE2 3.41Å; R346-F407 HydrophobicContact CG-CE2 4.01Å
347	T	91.4	Very high	94.7	Very high	36 Å²	36	32.3 Å²	32.3	22%	0.221	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-11.6	-173.7	61.4	0	0	0	0	113.9	S344 K349 E406 F407	S344-T347 WeakPolarHBondContact CB-OG1 3.47Å; S344-T347 PolarHBondContact O-N 3.47Å; S344-T347 PolarHBondContact OG-N 3.05Å; S344-T347 PolarHBondContact OG-OG1 3.39Å; T347-K349 VanDerWaalsContact C-N 3.32Å; T347-E406 HydrophobicContact CG2-CB 3.91Å; T347-E406 HydrophobicContact CG2-CG 4.38Å; T347-F407 HydrophobicContact CG2-CE1 4.39Å; T347-F407 HydrophobicContact CG2-CE2 4.04Å; T347-F407 HydrophobicContact CG2-CZ 3.79Å
348	G	90.2	Very high	95	Very high	32 Å²	32	29.9 Å²	29.9	33%	0.33	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.9	16.6	-176	0	0	0	0	0	114	Y343 S344	Y343-G348 VanDerWaalsContact CE2-C 3.5Å; Y343-G348 VanDerWaalsContact OH-CA 3.26Å; Y343-G348 WeakPolarHBondContact OH-CA 3.47Å; S344-G348 PolarHBondContact O-N 2.87Å
349	K	94.3	Very high	95	Very high	46 Å²	46	30.9 Å²	30.9	20%	0.2	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	143.1	-167.9	-59	-170.2	179	-162.4	0	112.7	Y343 S344 T347 Y351 R360 Y361 D367	Y343-K349 WeakPolarHBondContact CD2-O 3.47Å; S344-K349 PolarHBondContact N-O 3.28Å; T347-K349 VanDerWaalsContact C-N 3.32Å; K349-Y351 HydrophobicContact CB-CD2 4.48Å; K349-Y351 HydrophobicContact CB-CE2 3.72Å; K349-R360 HydrophobicContact CB-CG 4.11Å; K349-R360 HydrophobicContact CD-CG 3.89Å; K349-Y361 WeakPolarHBondContact CA-O 3.26Å; K349-Y361 WeakPolarHBondContact CB-O 3.42Å; K349-D367 IonicContact NZ-OD2 3.77Å; K349-D367 PolarHBondContact NZ-OD2 2.92Å
350	S	96.4	Very high	95	Very high	9 Å²	9	31.3 Å²	31.3	6%	0.063	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	135.1	170.3	-63.5	0	0	0	0	110.1	R360 Y361	S350-R360 CarbonylContact O-C 3.56Å; S350-R360 WeakPolarHBondContact O-CA 3.43Å; S350-Y361 PolarHBondContact N-O 3.18Å; S350-Y361 PolarHBondContact O-N 3.42Å
351	Y	97.3	Very high	94.8	Very high	1 Å²	1	31.3 Å²	31.3	0%	0.004	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	129.6	176.4	-61.7	-98.2	0	0	0	109	A341 V342 K349 V358 W359 R360 L393 W404 E406	A341-Y351 WeakPolarHBondContact CA-O 3.29Å; V342-Y351 PolarHBondContact N-O 3.08Å; V342-Y351 PolarHBondContact O-N 2.81Å; K349-Y351 HydrophobicContact CB-CD2 4.48Å; K349-Y351 HydrophobicContact CB-CE2 3.72Å; Y351-V358 HydrophobicContact CD1-CG2 4.04Å; Y351-W359 VanDerWaalsContact CA-O 3.28Å; Y351-W359 WeakPolarHBondContact CA-O 3.04Å; Y351-R360 HydrophobicContact CD1-CB 4.11Å; Y351-R360 HydrophobicContact CD1-CG 3.94Å; Y351-R360 HydrophobicContact CE1-CB 4.05Å; Y351-R360 HydrophobicContact CE1-CG 3.51Å; Y351-R360 HydrophobicContact CE2-CG 4.49Å; Y351-R360 VanDerWaalsContact CZ-CD 3.46Å; Y351-R360 VanDerWaalsContact OH-CD 3.31Å; Y351-R360 WeakPolarHBondContact OH-CD 3.48Å; Y351-L393 HydrophobicContact CD1-CD1 4.37Å; Y351-L393 HydrophobicContact CD2-CD1 3.66Å; Y351-L393 HydrophobicContact CE2-CD1 4.04Å; Y351-L393 HydrophobicContact CG-CD1 3.85Å; Y351-W404 AromaticContact CD1-CH2 3.95Å; Y351-W404 HydrophobicContact CD1-CH2 3.95Å; Y351-W404 AromaticContact CD1-CZ3 3.73Å; Y351-W404 HydrophobicContact CD1-CZ3 3.73Å; Y351-W404 AromaticContact CE1-CH2 3.57Å; Y351-W404 HydrophobicContact CE1-CH2 3.57Å; Y351-W404 AromaticContact CE1-CZ3 3.46Å; Y351-W404 HydrophobicContact CE1-CZ3 3.46Å; Y351-W404 VanDerWaalsContact CE1-CZ3 3.46Å; Y351-W404 HydrophobicContact CG-CZ3 4.48Å; Y351-E406 HydrophobicContact CE1-CG 4.44Å; Y351-E406 HydrophobicContact CE2-CG 4.04Å; Y351-E406 WeakPolarHBondContact OH-CG 3.44Å
352	F	97.8	Very high	94.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	135	176.9	-56.5	-86.7	0	0	0	109	M298 F308 W331 L334 V338 A341 V358 W359 Y361	M298-F352 HydrophobicContact CE-CE1 4.04Å; M298-F352 HydrophobicContact CE-CZ 3.94Å; M298-F352 HydrophobicContact SD-CE1 4.32Å; M298-F352 HydrophobicContact SD-CZ 4.34Å; F308-F352 AromaticContact CE1-CE1 3.92Å; F308-F352 HydrophobicContact CE1-CE1 3.92Å; F308-F352 HydrophobicContact CZ-CD1 4.49Å; F308-F352 AromaticContact CZ-CE1 3.66Å; F308-F352 HydrophobicContact CZ-CE1 3.66Å; W331-F352 AromaticContact CD1-CE2 3.86Å; W331-F352 HydrophobicContact CD2-CE1 4.36Å; W331-F352 HydrophobicContact CD2-CE2 4.07Å; W331-F352 AromaticContact CD2-CZ 3.63Å; W331-F352 HydrophobicContact CD2-CZ 3.63Å; W331-F352 AromaticContact CE2-CE2 3.89Å; W331-F352 AromaticContact CE2-CZ 3.36Å; W331-F352 HydrophobicContact CE3-CE1 4.39Å; W331-F352 HydrophobicContact CE3-CZ 4.09Å; W331-F352 HydrophobicContact CG-CE2 4.07Å; W331-F352 HydrophobicContact CG-CZ 4.14Å; W331-F352 HydrophobicContact CH2-CE1 4.42Å; W331-F352 HydrophobicContact CH2-CZ 4.08Å; W331-F352 HydrophobicContact CZ2-CE1 4.38Å; W331-F352 AromaticContact CZ2-CZ 3.62Å; W331-F352 HydrophobicContact CZ2-CZ 3.62Å; W331-F352 HydrophobicContact CZ3-CE1 4.42Å; W331-F352 HydrophobicContact CZ3-CZ 4.29Å; W331-F352 AromaticContact NE1-CE2 3.73Å; W331-F352 AromaticContact NE1-CZ 3.68Å; L334-F352 HydrophobicContact CD1-CB 3.37Å; L334-F352 HydrophobicContact CD1-CD1 4.44Å; L334-F352 HydrophobicContact CD1-CD2 4.02Å; L334-F352 HydrophobicContact CD1-CG 3.71Å; L334-F352 HydrophobicContact CD2-CB 4.04Å; L334-F352 HydrophobicContact CD2-CD1 3.53Å; L334-F352 HydrophobicContact CD2-CD2 3.75Å; L334-F352 HydrophobicContact CD2-CE1 3.85Å; L334-F352 HydrophobicContact CD2-CE2 4.04Å; L334-F352 HydrophobicContact CD2-CG 3.48Å; L334-F352 VanDerWaalsContact CD2-CG 3.48Å; L334-F352 HydrophobicContact CD2-CZ 4.1Å; L334-F352 HydrophobicContact CG-CB 4.38Å; L334-F352 HydrophobicContact CG-CG 4.29Å; V338-F352 HydrophobicContact CG1-CB 4.37Å; A341-F352 HydrophobicContact CB-CD1 3.65Å; A341-F352 HydrophobicContact CB-CE1 3.89Å; F352-V358 CarbonylContact O-C 3.59Å; F352-V358 WeakPolarHBondContact O-CA 3.44Å; F352-W359 HydrophobicContact CB-CB 4.33Å; F352-W359 PolarHBondContact N-O 3.14Å; F352-W359 PolarHBondContact O-N 2.81Å; F352-Y361 AromaticContact CD2-CD2 3.67Å; F352-Y361 HydrophobicContact CD2-CD2 3.67Å; F352-Y361 AromaticContact CD2-CE2 3.97Å; F352-Y361 HydrophobicContact CD2-CE2 3.97Å; F352-Y361 AromaticContact CE2-CD2 3.66Å; F352-Y361 HydrophobicContact CE2-CD2 3.66Å; F352-Y361 HydrophobicContact CE2-CE2 4.19Å; F352-Y361 HydrophobicContact CE2-CG 4.32Å
353	L	97.4	Very high	93.6	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	131.3	-178.6	-63.7	90.9	0	0	0	108.3	D339 A340 K357 L374 I381 A384 F395	D339-L353 PolarHBondContact N-O 3.48Å; A340-L353 HydrophobicContact CB-CB 4.19Å; A340-L353 HydrophobicContact CB-CD1 3.99Å; A340-L353 PolarHBondContact N-O 3.11Å; A340-L353 PolarHBondContact O-N 3.43Å; L353-K357 WeakPolarHBondContact CA-O 3.33Å; L353-L374 HydrophobicContact CD2-CD1 3.86Å; L353-I381 HydrophobicContact CD2-CB 3.81Å; L353-I381 HydrophobicContact CD2-CG1 3.61Å; L353-I381 HydrophobicContact CD2-CG2 4.09Å; L353-A384 HydrophobicContact CD1-CB 4.14Å; L353-F395 HydrophobicContact CD1-CD1 4.48Å; L353-F395 HydrophobicContact CD1-CE1 4.03Å; L353-F395 HydrophobicContact CD1-CZ 4.41Å; L353-F395 HydrophobicContact CD2-CD1 4.09Å; L353-F395 HydrophobicContact CD2-CD2 4.02Å; L353-F395 HydrophobicContact CD2-CE1 4.01Å; L353-F395 HydrophobicContact CD2-CE2 3.94Å; L353-F395 HydrophobicContact CD2-CG 4.11Å; L353-F395 HydrophobicContact CD2-CZ 3.94Å
354	K	96.1	Very high	92.8	Very high	52 Å²	52	38.8 Å²	38.8	23%	0.226	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	124.8	170.7	-170	-179.2	-177.1	176.1	0	110.2	P335 G336 S337 D339 D356 K357 W359	P335-K354 HydrophobicContact CB-CD 3.65Å; P335-K354 HydrophobicContact CG-CB 4.33Å; P335-K354 HydrophobicContact CG-CD 3.38Å; P335-K354 HydrophobicContact CG-CG 4.43Å; G336-K354 WeakPolarHBondContact O-CE 3.38Å; G336-K354 PolarHBondContact O-NZ 3.21Å; S337-K354 WeakPolarHBondContact O-CD 3.46Å; S337-K354 WeakPolarHBondContact O-CE 3.49Å; D339-K354 VanDerWaalsContact OD2-CA 3.22Å; D339-K354 WeakPolarHBondContact OD2-CA 3.35Å; K354-D356 PolarHBondContact O-N 3.41Å; K354-K357 PolarHBondContact N-O 2.89Å; K354-K357 PolarHBondContact O-N 2.81Å; K354-K357 VanDerWaalsContact O-N 3.11Å; K354-W359 HydrophobicContact CB-CE3 4.44Å; K354-W359 HydrophobicContact CB-CH2 4.02Å; K354-W359 HydrophobicContact CB-CZ3 3.61Å
355	G	94	Very high	92.1	Very high	21 Å²	21	46.2 Å²	46.2	22%	0.216	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	-130.5	-172.9	0	0	0	0	0	110.6	D339 K357 G379 N380	D339-G355 PolarHBondContact OD2-N 2.87Å; G355-K357 VanDerWaalsContact C-N 3.33Å; G355-G379 CarbonylContact O-C 3.46Å; G355-G379 WeakPolarHBondContact O-CA 3.49Å; G355-N380 WeakPolarHBondContact CA-OD1 3.32Å; G355-N380 PolarHBondContact O-N 3.17Å
356	D	92.4	Very high	92.1	Very high	56 Å²	56	42.6 Å²	42.6	30%	0.299	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	16.3	176.4	68.6	-17	0	0	0	113.4	K354 R373 L374	K354-D356 PolarHBondContact O-N 3.41Å; D356-R373 HydrophobicContact CB-CG 4.42Å; D356-R373 CarbonylContact O-C 3.58Å; D356-R373 WeakPolarHBondContact O-CA 3.39Å; D356-R373 WeakPolarHBondContact O-CG 3.48Å; D356-R373 IonicContact OD2-CZ 3.43Å; D356-R373 IonicContact OD2-NE 2.73Å; D356-R373 PolarHBondContact OD2-NE 3.37Å; D356-R373 IonicContact OD2-NH2 3.22Å; D356-R373 PolarHBondContact OD2-NH2 3.05Å; D356-L374 PolarHBondContact O-N 3.33Å
357	K	95.1	Very high	92.1	Very high	94 Å²	94	40 Å²	40	41%	0.409	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	149.9	-174.9	-69.3	176.9	-169.9	175.8	0	112.7	L353 K354 G355 W359 P371 R372	L353-K357 WeakPolarHBondContact CA-O 3.33Å; K354-K357 PolarHBondContact N-O 2.89Å; K354-K357 PolarHBondContact O-N 2.81Å; K354-K357 VanDerWaalsContact O-N 3.11Å; G355-K357 VanDerWaalsContact C-N 3.33Å; K357-W359 HydrophobicContact CB-CE3 4.19Å; K357-W359 HydrophobicContact CB-CH2 3.58Å; K357-W359 HydrophobicContact CB-CZ3 3.38Å; K357-W359 HydrophobicContact CD-CH2 4.05Å; K357-W359 HydrophobicContact CG-CH2 4.45Å; K357-W359 WeakPolarHBondContact O-CZ3 3.37Å; K357-P371 HydrophobicContact CB-CB 4.3Å; K357-P371 HydrophobicContact CD-CB 4.39Å; K357-P371 HydrophobicContact CD-CG 4.44Å; K357-R372 CarbonylContact C-O 3.49Å; K357-R372 VanDerWaalsContact CA-O 3.24Å; K357-R372 WeakPolarHBondContact CA-O 3.25Å
358	V	96.2	Very high	92.1	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.018	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	131.6	169.8	59.6	0	0	0	0	109.6	Y351 F352 F370 P371 R372 L374	Y351-V358 HydrophobicContact CD1-CG2 4.04Å; F352-V358 CarbonylContact O-C 3.59Å; F352-V358 WeakPolarHBondContact O-CA 3.44Å; V358-F370 HydrophobicContact CG1-CD1 4.49Å; V358-F370 HydrophobicContact CG1-CE1 4.16Å; V358-F370 WeakPolarHBondContact O-CD1 3.18Å; V358-P371 CarbonylContact O-C 3.55Å; V358-P371 WeakPolarHBondContact O-CA 3.47Å; V358-P371 WeakPolarHBondContact O-CB 3.23Å; V358-R372 HydrophobicContact CG1-CB 4.25Å; V358-R372 PolarHBondContact N-O 3.26Å; V358-R372 PolarHBondContact O-N 2.94Å; V358-L374 HydrophobicContact CB-CD2 4.05Å; V358-L374 HydrophobicContact CB-CG 4.29Å; V358-L374 HydrophobicContact CG1-CD2 3.86Å; V358-L374 HydrophobicContact CG1-CG 4.28Å
359	W	97.1	Very high	92	Very high	22 Å²	22	50.5 Å²	50.5	8%	0.083	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	144.6	167.9	-70.7	-112.7	0	0	0	108.5	E333 L334 P335 Y351 F352 K354 K357 Y361 L366 P371	E333-W359 PolarHBondContact O-NE1 2.77Å; L334-W359 HydrophobicContact CD1-CB 4.01Å; L334-W359 HydrophobicContact CD1-CD2 4.04Å; L334-W359 HydrophobicContact CD1-CE3 4.46Å; L334-W359 HydrophobicContact CD1-CG 3.83Å; P335-W359 HydrophobicContact CG-CH2 3.86Å; P335-W359 HydrophobicContact CG-CZ2 3.63Å; P335-W359 HydrophobicContact CG-CZ3 4.49Å; Y351-W359 VanDerWaalsContact CA-O 3.28Å; Y351-W359 WeakPolarHBondContact CA-O 3.04Å; F352-W359 HydrophobicContact CB-CB 4.33Å; F352-W359 PolarHBondContact N-O 3.14Å; F352-W359 PolarHBondContact O-N 2.81Å; K354-W359 HydrophobicContact CB-CE3 4.44Å; K354-W359 HydrophobicContact CB-CH2 4.02Å; K354-W359 HydrophobicContact CB-CZ3 3.61Å; K357-W359 HydrophobicContact CB-CE3 4.19Å; K357-W359 HydrophobicContact CB-CH2 3.58Å; K357-W359 HydrophobicContact CB-CZ3 3.38Å; K357-W359 HydrophobicContact CD-CH2 4.05Å; K357-W359 HydrophobicContact CG-CH2 4.45Å; K357-W359 WeakPolarHBondContact O-CZ3 3.37Å; W359-Y361 HydrophobicContact CB-CD2 4.3Å; W359-Y361 HydrophobicContact CB-CE2 3.81Å; W359-Y361 HydrophobicContact CG-CE2 4.42Å; W359-L366 HydrophobicContact CB-CD1 4.22Å; W359-L366 HydrophobicContact CG-CD1 4.41Å; W359-P371 HydrophobicContact CD2-CB 3.65Å; W359-P371 HydrophobicContact CD2-CG 4.39Å; W359-P371 HydrophobicContact CE3-CB 4.18Å; W359-P371 HydrophobicContact CG-CB 3.94Å; W359-P371 HydrophobicContact CH2-CB 4.36Å; W359-P371 HydrophobicContact CZ2-CB 3.89Å; W359-P371 HydrophobicContact CZ2-CG 3.93Å; W359-P371 HydrophobicContact CZ3-CB 4.49Å
360	R	96.9	Very high	91.9	Very high	51 Å²	51	49.3 Å²	49.3	19%	0.192	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	130.4	177.2	-173.6	175.2	78.4	-174.7	-1.5	109.9	K349 S350 Y351 D367 F370	K349-R360 HydrophobicContact CB-CG 4.11Å; K349-R360 HydrophobicContact CD-CG 3.89Å; S350-R360 CarbonylContact O-C 3.56Å; S350-R360 WeakPolarHBondContact O-CA 3.43Å; Y351-R360 HydrophobicContact CD1-CB 4.11Å; Y351-R360 HydrophobicContact CD1-CG 3.94Å; Y351-R360 HydrophobicContact CE1-CB 4.05Å; Y351-R360 HydrophobicContact CE1-CG 3.51Å; Y351-R360 HydrophobicContact CE2-CG 4.49Å; Y351-R360 VanDerWaalsContact CZ-CD 3.46Å; Y351-R360 VanDerWaalsContact OH-CD 3.31Å; Y351-R360 WeakPolarHBondContact OH-CD 3.48Å; R360-D367 HydrophobicContact CB-CB 4.38Å; R360-D367 HydrophobicContact CG-CB 4.49Å; R360-D367 IonicContact CZ-OD2 3.69Å; R360-D367 VanDerWaalsContact CZ-OD2 3.28Å; R360-D367 IonicContact NE-OD2 2.73Å; R360-D367 PolarHBondContact NE-OD2 3.32Å; R360-D367 IonicContact NH2-OD2 2.77Å; R360-D367 PolarHBondContact NH2-OD2 3.22Å; R360-D367 VanDerWaalsContact NH2-OD2 3.09Å; R360-D367 WeakPolarHBondContact O-CB 3.48Å; R360-D367 PolarHBondContact O-N 3.3Å; R360-F370 HydrophobicContact CB-CB 4.48Å; R360-F370 HydrophobicContact CB-CD1 3.44Å; R360-F370 VanDerWaalsContact CB-CD1 3.44Å; R360-F370 HydrophobicContact CB-CD2 3.92Å; R360-F370 HydrophobicContact CB-CE1 3.5Å; R360-F370 HydrophobicContact CB-CE2 4.01Å; R360-F370 HydrophobicContact CB-CG 3.67Å; R360-F370 HydrophobicContact CB-CZ 3.8Å; R360-F370 HydrophobicContact CG-CZ 4.44Å; R360-F370 VanDerWaalsContact NE-CE2 3.32Å
361	Y	92.8	Very high	91.8	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	141.6	-177.9	-75	-98.2	0	0	0	111.6	W331 E333 L334 K349 S350 F352 W359 K365 L366	W331-Y361 HydrophobicContact CB-CE1 3.98Å; W331-Y361 HydrophobicContact CB-CE2 4.25Å; W331-Y361 AromaticContact CD1-CD1 3.53Å; W331-Y361 AromaticContact CD1-CD2 3.98Å; W331-Y361 AromaticContact CD1-CE1 3.82Å; W331-Y361 AromaticContact CD1-CG 3.62Å; W331-Y361 HydrophobicContact CG-CD1 4.42Å; W331-Y361 HydrophobicContact CG-CE1 4.32Å; W331-Y361 HydrophobicContact CG-CE2 4.47Å; E333-Y361 PolarHBondContact N-OH 3.46Å; L334-Y361 HydrophobicContact CB-CE2 4.27Å; L334-Y361 HydrophobicContact CD1-CE2 4.43Å; L334-Y361 PolarHBondContact N-OH 3.26Å; K349-Y361 WeakPolarHBondContact CA-O 3.26Å; K349-Y361 WeakPolarHBondContact CB-O 3.42Å; S350-Y361 PolarHBondContact N-O 3.18Å; S350-Y361 PolarHBondContact O-N 3.42Å; F352-Y361 AromaticContact CD2-CD2 3.67Å; F352-Y361 HydrophobicContact CD2-CD2 3.67Å; F352-Y361 AromaticContact CD2-CE2 3.97Å; F352-Y361 HydrophobicContact CD2-CE2 3.97Å; F352-Y361 AromaticContact CE2-CD2 3.66Å; F352-Y361 HydrophobicContact CE2-CD2 3.66Å; F352-Y361 HydrophobicContact CE2-CE2 4.19Å; F352-Y361 HydrophobicContact CE2-CG 4.32Å; W359-Y361 HydrophobicContact CB-CD2 4.3Å; W359-Y361 HydrophobicContact CB-CE2 3.81Å; W359-Y361 HydrophobicContact CG-CE2 4.42Å; Y361-K365 VanDerWaalsContact CA-O 3.32Å; Y361-K365 WeakPolarHBondContact CA-O 3.07Å; Y361-K365 WeakPolarHBondContact CD1-O 3.42Å; Y361-L366 HydrophobicContact CD1-CB 4.19Å; Y361-L366 VanDerWaalsContact CD1-N 3.27Å; Y361-L366 HydrophobicContact CD2-CD1 4.17Å; Y361-L366 HydrophobicContact CE1-CB 3.69Å; Y361-L366 HydrophobicContact CE1-CD1 4.19Å; Y361-L366 HydrophobicContact CE2-CD1 3.71Å
362	T	87	Confident	91.5	Very high	74 Å²	74	58.1 Å²	58.1	45%	0.454	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	104.2	162.8	-57.4	0	0	0	0	107.2	S364 K365 D367	T362-S364 PolarHBondContact O-N 3.34Å; T362-K365 PolarHBondContact N-O 2.9Å; T362-K365 PolarHBondContact O-N 3.15Å; T362-K365 VanDerWaalsContact O-N 3.14Å; T362-D367 PolarHBondContact N-OD1 2.85Å; T362-D367 PolarHBondContact OG1-OD1 2.95Å
363	G	83.4	Confident	91.2	Very high	53 Å²	53	66.6 Å²	66.6	55%	0.546	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.6	-117.5	-165.8	0	0	0	0	0	111.2	W331	W331-G363 PolarHBondContact NE1-O 2.67Å
364	S	78.7	Confident	90.7	Very high	75 Å²	75	67.1 Å²	67.1	52%	0.524	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102	1.8	175.9	55.8	0	0	0	0	114	L330 T362	L330-S364 VanDerWaalsContact O-CB 3.25Å; L330-S364 WeakPolarHBondContact O-CB 3.47Å; T362-S364 PolarHBondContact O-N 3.34Å
365	K	81.8	Confident	90.1	Very high	157 Å²	157	69.6 Å²	69.6	68%	0.683	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.4	124.7	-179.2	-175	178	179.8	178.1	0	110.9	Y361 T362 D367	Y361-K365 VanDerWaalsContact CA-O 3.32Å; Y361-K365 WeakPolarHBondContact CA-O 3.07Å; Y361-K365 WeakPolarHBondContact CD1-O 3.42Å; T362-K365 PolarHBondContact N-O 2.9Å; T362-K365 PolarHBondContact O-N 3.15Å; T362-K365 VanDerWaalsContact O-N 3.14Å; K365-D367 PolarHBondContact O-N 2.98Å
366	L	88.8	Confident	89.7	Confident	35 Å²	35	75.3 Å²	75.3	18%	0.183	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	128.8	173.2	-176.4	68.7	0	0	0	109.8	E333 W359 Y361 F370	E333-L366 HydrophobicContact CB-CD2 3.83Å; E333-L366 HydrophobicContact CG-CD2 4.04Å; W359-L366 HydrophobicContact CB-CD1 4.22Å; W359-L366 HydrophobicContact CG-CD1 4.41Å; Y361-L366 HydrophobicContact CD1-CB 4.19Å; Y361-L366 VanDerWaalsContact CD1-N 3.27Å; Y361-L366 HydrophobicContact CD2-CD1 4.17Å; Y361-L366 HydrophobicContact CE1-CB 3.69Å; Y361-L366 HydrophobicContact CE1-CD1 4.19Å; Y361-L366 HydrophobicContact CE2-CD1 3.71Å; L366-F370 HydrophobicContact CD1-CB 3.95Å; L366-F370 WeakPolarHBondContact CD2-O 3.36Å; L366-F370 HydrophobicContact CG-CB 4.46Å
367	D	88.9	Confident	89.6	Confident	21 Å²	21	73.3 Å²	73.3	11%	0.112	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-68	140	176.8	-86.1	17.8	0	0	0	110.9	K349 R360 T362 K365 G369 F370	K349-D367 IonicContact NZ-OD2 3.77Å; K349-D367 PolarHBondContact NZ-OD2 2.92Å; R360-D367 HydrophobicContact CB-CB 4.38Å; R360-D367 HydrophobicContact CG-CB 4.49Å; R360-D367 IonicContact CZ-OD2 3.69Å; R360-D367 VanDerWaalsContact CZ-OD2 3.28Å; R360-D367 IonicContact NE-OD2 2.73Å; R360-D367 PolarHBondContact NE-OD2 3.32Å; R360-D367 IonicContact NH2-OD2 2.77Å; R360-D367 PolarHBondContact NH2-OD2 3.22Å; R360-D367 VanDerWaalsContact NH2-OD2 3.09Å; R360-D367 WeakPolarHBondContact O-CB 3.48Å; R360-D367 PolarHBondContact O-N 3.3Å; T362-D367 PolarHBondContact N-OD1 2.85Å; T362-D367 PolarHBondContact OG1-OD1 2.95Å; K365-D367 PolarHBondContact O-N 2.98Å; D367-G369 PolarHBondContact O-N 3.27Å; D367-F370 HydrophobicContact CB-CD2 3.9Å; D367-F370 HydrophobicContact CB-CE2 4.48Å; D367-F370 WeakPolarHBondContact O-CB 3.28Å; D367-F370 PolarHBondContact O-N 2.89Å; D367-F370 VanDerWaalsContact O-N 3.12Å
368	R	91.4	Very high	89.4	Confident	245 Å²	245	70.9 Å²	70.9	93%	0.925	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	132.2	177.8	-171.9	177.7	-180	-179.1	0	110.9
369	G	87.7	Confident	89.2	Confident	45 Å²	45	71.6 Å²	71.6	46%	0.464	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	14.6	-179.7	0	0	0	0	0	114.3	D367 R372	D367-G369 PolarHBondContact O-N 3.27Å; G369-R372 WeakPolarHBondContact O-CG 3.22Å; G369-R372 PolarHBondContact O-NE 3.3Å
370	F	92.7	Very high	89	Confident	21 Å²	21	75 Å²	75	9%	0.092	39%	0.392	C	S	.	.			trans	-110.1	155.7	164.3	-73.9	-100.2	0	0	0	109.9	V358 R360 L366 D367 R372	V358-F370 HydrophobicContact CG1-CD1 4.49Å; V358-F370 HydrophobicContact CG1-CE1 4.16Å; V358-F370 WeakPolarHBondContact O-CD1 3.18Å; R360-F370 HydrophobicContact CB-CB 4.48Å; R360-F370 HydrophobicContact CB-CD1 3.44Å; R360-F370 VanDerWaalsContact CB-CD1 3.44Å; R360-F370 HydrophobicContact CB-CD2 3.92Å; R360-F370 HydrophobicContact CB-CE1 3.5Å; R360-F370 HydrophobicContact CB-CE2 4.01Å; R360-F370 HydrophobicContact CB-CG 3.67Å; R360-F370 HydrophobicContact CB-CZ 3.8Å; R360-F370 HydrophobicContact CG-CZ 4.44Å; R360-F370 VanDerWaalsContact NE-CE2 3.32Å; L366-F370 HydrophobicContact CD1-CB 3.95Å; L366-F370 WeakPolarHBondContact CD2-O 3.36Å; L366-F370 HydrophobicContact CG-CB 4.46Å; D367-F370 HydrophobicContact CB-CD2 3.9Å; D367-F370 HydrophobicContact CB-CE2 4.48Å; D367-F370 WeakPolarHBondContact O-CB 3.28Å; D367-F370 PolarHBondContact O-N 2.89Å; D367-F370 VanDerWaalsContact O-N 3.12Å; F370-R372 HydrophobicContact CD1-CB 4.39Å; F370-R372 HydrophobicContact CD1-CG 4.06Å; F370-R372 HydrophobicContact CE1-CB 4.38Å; F370-R372 HydrophobicContact CE1-CG 4.12Å; F370-R372 HydrophobicContact CG-CG 4.3Å; F370-R372 HydrophobicContact CZ-CG 4.39Å
371	P	94.5	Very high	89	Confident	54 Å²	54	72.6 Å²	72.6	35%	0.351	38%	0.382	S	S	.	.	S	Bend	cis	-67	153.5	-2.4	28.5	-35	0	0	0	113.5	K357 V358 W359	K357-P371 HydrophobicContact CB-CB 4.3Å; K357-P371 HydrophobicContact CD-CB 4.39Å; K357-P371 HydrophobicContact CD-CG 4.44Å; V358-P371 CarbonylContact O-C 3.55Å; V358-P371 WeakPolarHBondContact O-CA 3.47Å; V358-P371 WeakPolarHBondContact O-CB 3.23Å; W359-P371 HydrophobicContact CD2-CB 3.65Å; W359-P371 HydrophobicContact CD2-CG 4.39Å; W359-P371 HydrophobicContact CE3-CB 4.18Å; W359-P371 HydrophobicContact CG-CB 3.94Å; W359-P371 HydrophobicContact CH2-CB 4.36Å; W359-P371 HydrophobicContact CZ2-CB 3.89Å; W359-P371 HydrophobicContact CZ2-CG 3.93Å; W359-P371 HydrophobicContact CZ3-CB 4.49Å
372	R	91.9	Very high	89.2	Confident	140 Å²	140	74.4 Å²	74.4	53%	0.528	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	149.7	173.9	-66.5	-170.4	175.9	-165.4	-1.9	110.1	K357 V358 G369 F370	K357-R372 CarbonylContact C-O 3.49Å; K357-R372 VanDerWaalsContact CA-O 3.24Å; K357-R372 WeakPolarHBondContact CA-O 3.25Å; V358-R372 HydrophobicContact CG1-CB 4.25Å; V358-R372 PolarHBondContact N-O 3.26Å; V358-R372 PolarHBondContact O-N 2.94Å; G369-R372 WeakPolarHBondContact O-CG 3.22Å; G369-R372 PolarHBondContact O-NE 3.3Å; F370-R372 HydrophobicContact CD1-CB 4.39Å; F370-R372 HydrophobicContact CD1-CG 4.06Å; F370-R372 HydrophobicContact CE1-CB 4.38Å; F370-R372 HydrophobicContact CE1-CG 4.12Å; F370-R372 HydrophobicContact CG-CG 4.3Å; F370-R372 HydrophobicContact CZ-CG 4.39Å
373	R	91.3	Very high	89.8	Confident	179 Å²	179	70.9 Å²	70.9	68%	0.675	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.3	136.5	170.3	-160.1	179.4	-169.1	-136.1	-3.4	109.7	D356 T375	D356-R373 HydrophobicContact CB-CG 4.42Å; D356-R373 CarbonylContact O-C 3.58Å; D356-R373 WeakPolarHBondContact O-CA 3.39Å; D356-R373 WeakPolarHBondContact O-CG 3.48Å; D356-R373 IonicContact OD2-CZ 3.43Å; D356-R373 IonicContact OD2-NE 2.73Å; D356-R373 PolarHBondContact OD2-NE 3.37Å; D356-R373 IonicContact OD2-NH2 3.22Å; D356-R373 PolarHBondContact OD2-NH2 3.05Å; R373-T375 PolarHBondContact O-N 3.03Å
374	L	86.7	Confident	90.4	Very high	12 Å²	12	68.5 Å²	68.5	6%	0.063	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-72.8	121.5	168.9	-70.9	169.9	0	0	0	108.7	L353 D356 V358 I377 F395	L353-L374 HydrophobicContact CD2-CD1 3.86Å; D356-L374 PolarHBondContact O-N 3.33Å; V358-L374 HydrophobicContact CB-CD2 4.05Å; V358-L374 HydrophobicContact CB-CG 4.29Å; V358-L374 HydrophobicContact CG1-CD2 3.86Å; V358-L374 HydrophobicContact CG1-CG 4.28Å; L374-I377 HydrophobicContact CB-CB 4.32Å; L374-I377 HydrophobicContact CD1-CG2 4.46Å; L374-F395 HydrophobicContact CD2-CE2 4.19Å
375	T	84.1	Confident	91.3	Very high	103 Å²	103	65 Å²	65	63%	0.632	32%	0.321	S	S	*	.	S	Bend	trans	-101	134.3	175.8	53.3	0	0	0	0	109.3	R373 I377	R373-T375 PolarHBondContact O-N 3.03Å; T375-I377 PolarHBondContact O-N 2.79Å
376	N	85.2	Confident	92	Very high	142 Å²	142	58.6 Å²	58.6	76%	0.759	29%	0.293	S	S	*	.	S	Bend	trans	63.1	16.1	179.9	-51.1	-35.6	0	0	0	115	L412	N376-L412 HydrophobicContact CB-CD1 4.15Å; N376-L412 WeakPolarHBondContact O-CD1 3.33Å
377	I	89.5	Confident	92.2	Very high	13 Å²	13	57.1 Å²	57.1	7%	0.067	29%	0.285	C	S	.	.	S	Bend	trans	-128.8	135.9	171.3	-62.4	-179	0	0	0	106.8	L374 T375 I381 F395 W402 W404 L412	L374-I377 HydrophobicContact CB-CB 4.32Å; L374-I377 HydrophobicContact CD1-CG2 4.46Å; T375-I377 PolarHBondContact O-N 2.79Å; I377-I381 HydrophobicContact CG2-CD1 3.89Å; I377-I381 HydrophobicContact CG2-CG1 4.49Å; I377-F395 HydrophobicContact CD1-CD2 3.85Å; I377-F395 HydrophobicContact CD1-CE2 4.03Å; I377-F395 HydrophobicContact CG2-CD2 4.12Å; I377-W402 HydrophobicContact CD1-CB 4.42Å; I377-W402 HydrophobicContact CG1-CB 4.46Å; I377-W402 HydrophobicContact CG1-CG 4.46Å; I377-W402 HydrophobicContact CG2-CG 4.46Å; I377-W404 HydrophobicContact CD1-CB 4.44Å; I377-W404 HydrophobicContact CD1-CG 4.29Å; I377-L412 HydrophobicContact CD1-CD1 3.86Å; I377-L412 HydrophobicContact CG1-CD1 3.39Å
378	P	91.2	Very high	92.2	Very high	43 Å²	43	58.2 Å²	58.2	28%	0.279	29%	0.293	S	S	.	.			trans	-63.7	148.7	177.6	28	-35.5	0	0	0	111.4	I381 K397 W402	P378-I381 HydrophobicContact CG-CD1 4.29Å; P378-I381 VanDerWaalsContact O-CD1 3.29Å; P378-I381 WeakPolarHBondContact O-CD1 3.4Å; P378-K397 HydrophobicContact CB-CD 3.82Å; P378-K397 HydrophobicContact CG-CD 3.63Å; P378-W402 HydrophobicContact CG-CH2 3.67Å; P378-W402 HydrophobicContact CG-CZ2 3.52Å; P378-W402 HydrophobicContact CG-CZ3 4.24Å
379	G	91.7	Very high	92	Very high	19 Å²	19	51.8 Å²	51.8	20%	0.196	27%	0.272	C	S	.	.	S	Bend	trans	-72.2	171.6	168.5	0	0	0	0	0	112.7	G355 K397	G355-G379 CarbonylContact O-C 3.46Å; G355-G379 WeakPolarHBondContact O-CA 3.49Å; G379-K397 WeakPolarHBondContact O-CE 3.41Å; G379-K397 PolarHBondContact O-NZ 3.5Å
380	N	93.2	Very high	92	Very high	93 Å²	93	53.9 Å²	53.9	50%	0.497	27%	0.272	S	S	.	.	S	Bend	trans	56.5	61.1	-177.7	-47.8	-59.4	0	0	0	110.9	D339 G355 K397	D339-N380 WeakPolarHBondContact OD2-CA 3.28Å; G355-N380 WeakPolarHBondContact CA-OD1 3.32Å; G355-N380 PolarHBondContact O-N 3.17Å; N380-K397 PolarHBondContact O-NZ 3.5Å
381	I	97.5	Very high	91.8	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.295	C	S	.	.			trans	-69.6	129.5	179.1	-68.6	-56.3	0	0	0	108.9	D339 A340 L353 I377 P378 S383 F395 L396 K397	D339-I381 CarbonylContact C-O 3.56Å; D339-I381 WeakPolarHBondContact CB-O 3.23Å; D339-I381 VanDerWaalsContact O-O 3.1Å; A340-I381 HydrophobicContact CB-CG2 4.06Å; L353-I381 HydrophobicContact CD2-CB 3.81Å; L353-I381 HydrophobicContact CD2-CG1 3.61Å; L353-I381 HydrophobicContact CD2-CG2 4.09Å; I377-I381 HydrophobicContact CG2-CD1 3.89Å; I377-I381 HydrophobicContact CG2-CG1 4.49Å; P378-I381 HydrophobicContact CG-CD1 4.29Å; P378-I381 VanDerWaalsContact O-CD1 3.29Å; P378-I381 WeakPolarHBondContact O-CD1 3.4Å; I381-S383 WeakPolarHBondContact CG2-O 3.39Å; I381-F395 HydrophobicContact CD1-CB 4.1Å; I381-F395 HydrophobicContact CG1-CB 4.25Å; I381-F395 HydrophobicContact CG2-CB 3.83Å; I381-F395 HydrophobicContact CG2-CG 4.38Å; I381-L396 WeakPolarHBondContact CG2-O 3.34Å; I381-K397 HydrophobicContact CD1-CB 4.23Å
382	D	97.2	Very high	91.8	Very high	39 Å²	39	59.1 Å²	59.1	21%	0.209	29%	0.29	C	S	.	.	S	Bend	trans	-74.3	-35.2	-172.6	-51.2	-17.6	0	0	0	111.7	L396 K397 G398 T430 D431	D382-L396 PolarHBondContact N-O 3.46Å; D382-K397 IonicContact OD1-NZ 3.74Å; D382-K397 WeakPolarHBondContact OD2-CA 3.35Å; D382-G398 PolarHBondContact OD2-N 2.96Å; D382-T430 CarbonylContact C-O 3.52Å; D382-T430 VanDerWaalsContact CB-O 3.25Å; D382-T430 WeakPolarHBondContact CB-O 3.1Å; D382-T430 VanDerWaalsContact O-O 3.09Å; D382-D431 CarbonylContact O-C 3.52Å
383	S	97.6	Very high	92	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	162.4	172.9	73.2	0	0	0	0	112.4	I381 L396 T430 A432	I381-S383 WeakPolarHBondContact CG2-O 3.39Å; S383-L396 PolarHBondContact N-O 3.25Å; S383-L396 PolarHBondContact O-N 3.5Å; S383-L396 WeakPolarHBondContact OG-CB 3.24Å; S383-L396 WeakPolarHBondContact OG-CD1 3.23Å; S383-T430 WeakPolarHBondContact CB-OG1 3.4Å; S383-T430 PolarHBondContact OG-OG1 3.1Å; S383-A432 VanDerWaalsContact CB-C 3.49Å
384	A	97.8	Very high	92.3	Very high	2 Å²	2	44 Å²	44	2%	0.017	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	144.7	-180	0	0	0	0	0	111.7	A340 V342 L353 I394 F395	A340-A384 HydrophobicContact CB-CB 3.74Å; V342-A384 HydrophobicContact CB-CB 4.06Å; V342-A384 HydrophobicContact CG1-CB 4Å; L353-A384 HydrophobicContact CD1-CB 4.14Å; A384-I394 VanDerWaalsContact CA-O 3.26Å; A384-I394 WeakPolarHBondContact CA-O 3.44Å; A384-F395 HydrophobicContact CB-CD1 3.72Å; A384-F395 HydrophobicContact CB-CE1 4.15Å
385	L	97.1	Very high	92.8	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.01	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	153.4	175.9	68.4	103.2	0	0	0	111.7	V342 F387 L393 I394 L396 F423 A433 V441 M443	V342-L385 VanDerWaalsContact CG2-C 3.41Å; L385-F387 HydrophobicContact CD1-CB 3.99Å; L385-F387 HydrophobicContact CD1-CD2 4.39Å; L385-L393 WeakPolarHBondContact O-CA 3.48Å; L385-I394 HydrophobicContact CG-CB 4.3Å; L385-I394 PolarHBondContact N-O 2.91Å; L385-I394 PolarHBondContact O-N 3.42Å; L385-L396 HydrophobicContact CD2-CD1 4.26Å; L385-F423 HydrophobicContact CD1-CZ 4.25Å; L385-F423 HydrophobicContact CD2-CE2 4.05Å; L385-F423 HydrophobicContact CD2-CZ 4.28Å; L385-A433 HydrophobicContact CB-CB 4.16Å; L385-A433 HydrophobicContact CD2-CB 3.66Å; L385-V441 HydrophobicContact CD1-CG1 4.42Å; L385-V441 HydrophobicContact CD1-CG2 4.48Å; L385-V441 HydrophobicContact CD2-CG1 3.9Å; L385-M443 HydrophobicContact CD2-CE 3.64Å; L385-M443 HydrophobicContact CD2-SD 4.29Å
386	Y	96	Very high	93.4	Very high	22 Å²	22	38.5 Å²	38.5	9%	0.086	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	122.8	169.8	174.6	-103.1	0	0	0	108.6	Y343 Q345 R346 P388 L393 T435	Y343-Y386 WeakPolarHBondContact O-CB 3.32Å; Q345-Y386 HydrophobicContact CB-CD1 4.12Å; Q345-Y386 HydrophobicContact CB-CE1 3.81Å; Q345-Y386 HydrophobicContact CG-CD1 4.01Å; Q345-Y386 HydrophobicContact CG-CE1 4.14Å; R346-Y386 HydrophobicContact CB-CE2 4.15Å; Y386-P388 HydrophobicContact CD1-CG 4.23Å; Y386-P388 HydrophobicContact CE1-CB 4.34Å; Y386-P388 HydrophobicContact CE1-CG 4.16Å; Y386-P388 WeakPolarHBondContact O-CD 3.49Å; Y386-L393 HydrophobicContact CD2-CD2 3.73Å; Y386-L393 HydrophobicContact CG-CD2 4.4Å; Y386-T435 WeakPolarHBondContact O-CB 3.36Å; Y386-T435 PolarHBondContact O-OG1 3.33Å
387	F	93.4	Very high	94	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.018	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	106.1	-177.6	-171.2	-130.8	0	0	0	111.1	L385 K389 N390 K391 K392 I394 L422 F423	L385-F387 HydrophobicContact CD1-CB 3.99Å; L385-F387 HydrophobicContact CD1-CD2 4.39Å; F387-K389 VanDerWaalsContact C-N 3.34Å; F387-K389 HydrophobicContact CD1-CB 4.22Å; F387-K389 HydrophobicContact CE1-CB 3.7Å; F387-K389 HydrophobicContact CE1-CD 4.43Å; F387-K389 HydrophobicContact CE1-CG 4.44Å; F387-K389 HydrophobicContact CE2-CB 4.41Å; F387-K389 HydrophobicContact CE2-CG 4.45Å; F387-K389 HydrophobicContact CZ-CB 3.82Å; F387-K389 HydrophobicContact CZ-CD 3.87Å; F387-K389 HydrophobicContact CZ-CG 4.05Å; F387-K389 PolarHBondContact O-N 2.62Å; F387-N390 HydrophobicContact CD1-CB 3.98Å; F387-N390 HydrophobicContact CE1-CB 4.49Å; F387-N390 PolarHBondContact O-N 3.05Å; F387-K391 PolarHBondContact O-N 3.15Å; F387-K392 PolarHBondContact N-O 3.07Å; F387-I394 HydrophobicContact CB-CD1 4.28Å; F387-I394 HydrophobicContact CB-CG1 3.58Å; F387-I394 HydrophobicContact CG-CG1 4.35Å; F387-L422 HydrophobicContact CE1-CD2 4.26Å; F387-F423 HydrophobicContact CD2-CE1 4.33Å; F387-F423 HydrophobicContact CD2-CZ 4.18Å; F387-F423 AromaticContact CE2-CE1 3.87Å; F387-F423 HydrophobicContact CE2-CE1 3.87Å; F387-F423 HydrophobicContact CE2-CZ 4.16Å; F387-F423 HydrophobicContact CZ-CE1 4.4Å
388	P	88.6	Confident	94.2	Very high	45 Å²	45	34.9 Å²	34.9	29%	0.292	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-35.1	-170.5	-25.3	35.8	0	0	0	114.1	Y386 N390 K391 T435	Y386-P388 HydrophobicContact CD1-CG 4.23Å; Y386-P388 HydrophobicContact CE1-CB 4.34Å; Y386-P388 HydrophobicContact CE1-CG 4.16Å; Y386-P388 WeakPolarHBondContact O-CD 3.49Å; P388-N390 VanDerWaalsContact C-N 3.29Å; P388-N390 PolarHBondContact O-N 3.21Å; P388-K391 PolarHBondContact O-N 3.27Å; P388-T435 HydrophobicContact CG-CG2 3.97Å
389	K	86.8	Confident	94.4	Very high	110 Å²	110	37 Å²	37	48%	0.478	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-42.4	-179.2	-75.1	-166.1	174.4	-177.3	0	112.7	F387 Q454 K455	F387-K389 VanDerWaalsContact C-N 3.34Å; F387-K389 HydrophobicContact CD1-CB 4.22Å; F387-K389 HydrophobicContact CE1-CB 3.7Å; F387-K389 HydrophobicContact CE1-CD 4.43Å; F387-K389 HydrophobicContact CE1-CG 4.44Å; F387-K389 HydrophobicContact CE2-CB 4.41Å; F387-K389 HydrophobicContact CE2-CG 4.45Å; F387-K389 HydrophobicContact CZ-CB 3.82Å; F387-K389 HydrophobicContact CZ-CD 3.87Å; F387-K389 HydrophobicContact CZ-CG 4.05Å; F387-K389 PolarHBondContact O-N 2.62Å; K389-Q454 WeakPolarHBondContact CE-O 3.1Å; K389-Q454 PolarHBondContact NZ-O 3.39Å; K389-K455 PolarHBondContact NZ-O 3.41Å
390	N	87.1	Confident	94.7	Very high	88 Å²	88	36.3 Å²	36.3	47%	0.471	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-4.6	-176	-59.8	6.6	0	0	0	112.2	F387 P388 K392	F387-N390 HydrophobicContact CD1-CB 3.98Å; F387-N390 HydrophobicContact CE1-CB 4.49Å; F387-N390 PolarHBondContact O-N 3.05Å; P388-N390 VanDerWaalsContact C-N 3.29Å; P388-N390 PolarHBondContact O-N 3.21Å; N390-K392 VanDerWaalsContact C-N 3.27Å; N390-K392 WeakPolarHBondContact O-CG 3.4Å; N390-K392 PolarHBondContact O-N 3.42Å
391	K	90.5	Very high	94.8	Very high	130 Å²	130	32.7 Å²	32.7	57%	0.565	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	39.2	-177.7	-56.6	-179	-178.3	178.6	0	113.3	R346 F387 P388	R346-K391 PolarHBondContact NE-O 2.9Å; F387-K391 PolarHBondContact O-N 3.15Å; P388-K391 PolarHBondContact O-N 3.27Å
392	K	93.4	Very high	94.7	Very high	55 Å²	55	33.7 Å²	33.7	24%	0.239	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	156.1	-178.3	-69	-171.9	-177.1	-164.5	0	111.4	F387 N390 I394 P403	F387-K392 PolarHBondContact N-O 3.07Å; N390-K392 VanDerWaalsContact C-N 3.27Å; N390-K392 WeakPolarHBondContact O-CG 3.4Å; N390-K392 PolarHBondContact O-N 3.42Å; K392-I394 HydrophobicContact CB-CD1 4.47Å; K392-P403 HydrophobicContact CD-CB 3.86Å
393	L	96.3	Very high	94.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	137.2	162.1	-46.2	-176.8	0	0	0	108.2	V342 Y351 L385 Y386 F395 P403 W404 E406	V342-L393 HydrophobicContact CG1-CD1 3.84Å; V342-L393 HydrophobicContact CG1-CD2 4.21Å; V342-L393 HydrophobicContact CG1-CG 4.41Å; V342-L393 HydrophobicContact CG2-CD2 3.78Å; Y351-L393 HydrophobicContact CD1-CD1 4.37Å; Y351-L393 HydrophobicContact CD2-CD1 3.66Å; Y351-L393 HydrophobicContact CE2-CD1 4.04Å; Y351-L393 HydrophobicContact CG-CD1 3.85Å; L385-L393 WeakPolarHBondContact O-CA 3.48Å; Y386-L393 HydrophobicContact CD2-CD2 3.73Å; Y386-L393 HydrophobicContact CG-CD2 4.4Å; L393-F395 HydrophobicContact CB-CE1 3.87Å; L393-F395 HydrophobicContact CB-CZ 4.39Å; L393-F395 HydrophobicContact CD1-CE1 4.35Å; L393-F395 HydrophobicContact CD1-CZ 4.48Å; L393-P403 CarbonylContact O-C 3.6Å; L393-P403 WeakPolarHBondContact O-CA 3.38Å; L393-W404 HydrophobicContact CB-CE3 4.4Å; L393-W404 HydrophobicContact CD1-CE3 3.56Å; L393-W404 HydrophobicContact CD1-CZ3 3.69Å; L393-W404 HydrophobicContact CG-CE3 4.16Å; L393-W404 PolarHBondContact N-O 2.9Å; L393-W404 PolarHBondContact O-N 3.04Å; L393-E406 HydrophobicContact CD1-CG 4.04Å; L393-E406 HydrophobicContact CG-CG 4.21Å
394	I	96.9	Very high	94.4	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	120.8	175.8	-54	-59	0	0	0	106.9	A384 L385 F387 K392 L396 Y401 P403 L422	A384-I394 VanDerWaalsContact CA-O 3.26Å; A384-I394 WeakPolarHBondContact CA-O 3.44Å; L385-I394 HydrophobicContact CG-CB 4.3Å; L385-I394 PolarHBondContact N-O 2.91Å; L385-I394 PolarHBondContact O-N 3.42Å; F387-I394 HydrophobicContact CB-CD1 4.28Å; F387-I394 HydrophobicContact CB-CG1 3.58Å; F387-I394 HydrophobicContact CG-CG1 4.35Å; K392-I394 HydrophobicContact CB-CD1 4.47Å; I394-L396 HydrophobicContact CG2-CD2 3.69Å; I394-L396 HydrophobicContact CG2-CG 4.45Å; I394-Y401 HydrophobicContact CG2-CD2 4.03Å; I394-Y401 HydrophobicContact CG2-CG 4.31Å; I394-P403 HydrophobicContact CD1-CB 4.08Å; I394-L422 HydrophobicContact CD1-CD1 4.33Å; I394-L422 HydrophobicContact CG1-CD1 4.44Å; I394-L422 HydrophobicContact CG2-CD1 3.86Å
395	F	97.5	Very high	94	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	129.2	173.9	-59.5	-20.7	0	0	0	108.9	V342 L353 L374 I377 I381 A384 L393 Y401 W402 W404	V342-F395 HydrophobicContact CG1-CE1 4.41Å; L353-F395 HydrophobicContact CD1-CD1 4.48Å; L353-F395 HydrophobicContact CD1-CE1 4.03Å; L353-F395 HydrophobicContact CD1-CZ 4.41Å; L353-F395 HydrophobicContact CD2-CD1 4.09Å; L353-F395 HydrophobicContact CD2-CD2 4.02Å; L353-F395 HydrophobicContact CD2-CE1 4.01Å; L353-F395 HydrophobicContact CD2-CE2 3.94Å; L353-F395 HydrophobicContact CD2-CG 4.11Å; L353-F395 HydrophobicContact CD2-CZ 3.94Å; L374-F395 HydrophobicContact CD2-CE2 4.19Å; I377-F395 HydrophobicContact CD1-CD2 3.85Å; I377-F395 HydrophobicContact CD1-CE2 4.03Å; I377-F395 HydrophobicContact CG2-CD2 4.12Å; I381-F395 HydrophobicContact CD1-CB 4.1Å; I381-F395 HydrophobicContact CG1-CB 4.25Å; I381-F395 HydrophobicContact CG2-CB 3.83Å; I381-F395 HydrophobicContact CG2-CG 4.38Å; A384-F395 HydrophobicContact CB-CD1 3.72Å; A384-F395 HydrophobicContact CB-CE1 4.15Å; L393-F395 HydrophobicContact CB-CE1 3.87Å; L393-F395 HydrophobicContact CB-CZ 4.39Å; L393-F395 HydrophobicContact CD1-CE1 4.35Å; L393-F395 HydrophobicContact CD1-CZ 4.48Å; F395-Y401 CarbonylContact O-C 3.59Å; F395-Y401 VanDerWaalsContact O-CA 3.22Å; F395-Y401 WeakPolarHBondContact O-CA 3.29Å; F395-W402 PolarHBondContact N-O 3.26Å; F395-W402 PolarHBondContact O-N 3.07Å; F395-W404 HydrophobicContact CD2-CB 4.22Å; F395-W404 HydrophobicContact CE2-CB 3.72Å; F395-W404 HydrophobicContact CE2-CD2 4.09Å; F395-W404 AromaticContact CE2-CG 3.73Å; F395-W404 HydrophobicContact CE2-CG 3.73Å; F395-W404 HydrophobicContact CZ-CB 3.95Å; F395-W404 AromaticContact CZ-CD2 3.99Å; F395-W404 HydrophobicContact CZ-CD2 3.99Å; F395-W404 HydrophobicContact CZ-CE3 4.01Å; F395-W404 HydrophobicContact CZ-CG 4Å
396	L	97.6	Very high	93.7	Very high	1 Å²	1	37 Å²	37	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	132.2	-176.8	-55.6	-176.7	0	0	0	109.3	I381 D382 S383 L385 I394 Y401 I419 A433 M443	I381-L396 WeakPolarHBondContact CG2-O 3.34Å; D382-L396 PolarHBondContact N-O 3.46Å; S383-L396 PolarHBondContact N-O 3.25Å; S383-L396 PolarHBondContact O-N 3.5Å; S383-L396 WeakPolarHBondContact OG-CB 3.24Å; S383-L396 WeakPolarHBondContact OG-CD1 3.23Å; L385-L396 HydrophobicContact CD2-CD1 4.26Å; I394-L396 HydrophobicContact CG2-CD2 3.69Å; I394-L396 HydrophobicContact CG2-CG 4.45Å; L396-Y401 VanDerWaalsContact CD2-CB 3.43Å; L396-I419 HydrophobicContact CB-CD1 4.36Å; L396-I419 HydrophobicContact CD2-CD1 4.16Å; L396-I419 HydrophobicContact CD2-CG1 4.06Å; L396-A433 HydrophobicContact CD1-CB 4.39Å; L396-M443 HydrophobicContact CD1-CE 3.63Å; L396-M443 HydrophobicContact CD1-SD 3.8Å
397	K	96.6	Very high	93.1	Very high	60 Å²	60	43 Å²	43	26%	0.261	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	125.4	173.5	-169.9	-178.2	179.5	59.1	0	110.4	P378 G379 N380 I381 D382 S399 G400 W402	P378-K397 HydrophobicContact CB-CD 3.82Å; P378-K397 HydrophobicContact CG-CD 3.63Å; G379-K397 WeakPolarHBondContact O-CE 3.41Å; G379-K397 PolarHBondContact O-NZ 3.5Å; N380-K397 PolarHBondContact O-NZ 3.5Å; I381-K397 HydrophobicContact CD1-CB 4.23Å; D382-K397 IonicContact OD1-NZ 3.74Å; D382-K397 WeakPolarHBondContact OD2-CA 3.35Å; K397-S399 PolarHBondContact O-N 3.45Å; K397-G400 PolarHBondContact N-O 2.9Å; K397-G400 PolarHBondContact O-N 2.87Å; K397-W402 HydrophobicContact CB-CH2 4.05Å; K397-W402 HydrophobicContact CB-CZ3 3.59Å
398	G	95.1	Very high	92.3	Very high	18 Å²	18	44.3 Å²	44.3	19%	0.186	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	-122.4	-174.5	0	0	0	0	0	111.5	D382 S428 N429	D382-G398 PolarHBondContact OD2-N 2.96Å; G398-S428 WeakPolarHBondContact O-CA 3.49Å; G398-S428 WeakPolarHBondContact O-CB 3.44Å; G398-N429 WeakPolarHBondContact CA-OD1 3.34Å; G398-N429 PolarHBondContact O-N 3.47Å
399	S	95.1	Very high	91.7	Very high	87 Å²	87	48.9 Å²	48.9	61%	0.608	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	6.7	174.3	56.1	0	0	0	0	113.4	K397 P418 I419	K397-S399 PolarHBondContact O-N 3.45Å; S399-P418 WeakPolarHBondContact O-CA 3.45Å; S399-I419 WeakPolarHBondContact O-CG1 3.46Å; S399-I419 PolarHBondContact O-N 3.45Å
400	G	96.6	Very high	91.6	Very high	6 Å²	6	44.9 Å²	44.9	6%	0.062	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	158.2	-174.5	0	0	0	0	0	114.1	K397 R417	K397-G400 PolarHBondContact N-O 2.9Å; K397-G400 PolarHBondContact O-N 2.87Å; G400-R417 CarbonylContact C-O 3.6Å; G400-R417 VanDerWaalsContact CA-O 3.28Å; G400-R417 WeakPolarHBondContact CA-O 3.32Å
401	Y	96.6	Very high	91.5	Very high	17 Å²	17	45 Å²	45	7%	0.067	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	157.4	169.9	78.3	-89.5	0	0	0	112.8	I394 F395 L396 Y415 P416 R417 P418 L422	I394-Y401 HydrophobicContact CG2-CD2 4.03Å; I394-Y401 HydrophobicContact CG2-CG 4.31Å; F395-Y401 CarbonylContact O-C 3.59Å; F395-Y401 VanDerWaalsContact O-CA 3.22Å; F395-Y401 WeakPolarHBondContact O-CA 3.29Å; L396-Y401 VanDerWaalsContact CD2-CB 3.43Å; Y401-Y415 HydrophobicContact CD2-CE1 4.15Å; Y401-Y415 HydrophobicContact CE2-CD1 4.28Å; Y401-Y415 AromaticContact CE2-CE1 3.53Å; Y401-Y415 HydrophobicContact CE2-CE1 3.53Å; Y401-Y415 AromaticContact CZ-CE1 3.88Å; Y401-Y415 VanDerWaalsContact O-CD1 3.26Å; Y401-Y415 WeakPolarHBondContact O-CD1 3.09Å; Y401-P416 WeakPolarHBondContact O-CA 3.41Å; Y401-R417 HydrophobicContact CD1-CB 4.04Å; Y401-R417 WeakPolarHBondContact CD1-O 3.44Å; Y401-R417 HydrophobicContact CE1-CB 3.42Å; Y401-R417 VanDerWaalsContact CE1-CB 3.42Å; Y401-R417 PolarHBondContact N-O 3.08Å; Y401-R417 PolarHBondContact O-N 2.96Å; Y401-P418 WeakPolarHBondContact CE1-O 3.3Å; Y401-L422 HydrophobicContact CD1-CD1 3.77Å; Y401-L422 HydrophobicContact CD1-CG 4.05Å; Y401-L422 HydrophobicContact CD2-CD1 3.4Å; Y401-L422 HydrophobicContact CD2-CG 4.28Å; Y401-L422 HydrophobicContact CE1-CB 4.41Å; Y401-L422 HydrophobicContact CE1-CD1 3.75Å; Y401-L422 HydrophobicContact CE1-CG 3.59Å; Y401-L422 HydrophobicContact CE2-CD1 3.39Å; Y401-L422 HydrophobicContact CE2-CD2 4.42Å; Y401-L422 HydrophobicContact CE2-CG 3.87Å; Y401-L422 HydrophobicContact CG-CD1 3.59Å; Y401-L422 HydrophobicContact CG-CG 4.37Å; Y401-L422 VanDerWaalsContact CZ-CG 3.49Å
402	W	95.9	Very high	91.5	Very high	20 Å²	20	39.9 Å²	39.9	8%	0.076	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	123.3	172.7	-66.6	-106.4	0	0	0	109.2	I377 P378 F395 K397 L412 P416	I377-W402 HydrophobicContact CD1-CB 4.42Å; I377-W402 HydrophobicContact CG1-CB 4.46Å; I377-W402 HydrophobicContact CG1-CG 4.46Å; I377-W402 HydrophobicContact CG2-CG 4.46Å; P378-W402 HydrophobicContact CG-CH2 3.67Å; P378-W402 HydrophobicContact CG-CZ2 3.52Å; P378-W402 HydrophobicContact CG-CZ3 4.24Å; F395-W402 PolarHBondContact N-O 3.26Å; F395-W402 PolarHBondContact O-N 3.07Å; K397-W402 HydrophobicContact CB-CH2 4.05Å; K397-W402 HydrophobicContact CB-CZ3 3.59Å; W402-L412 HydrophobicContact CB-CD2 4.42Å; W402-P416 HydrophobicContact CD2-CB 4.18Å; W402-P416 HydrophobicContact CE3-CB 4.26Å; W402-P416 HydrophobicContact CH2-CB 3.45Å; W402-P416 VanDerWaalsContact CH2-CB 3.45Å; W402-P416 HydrophobicContact CH2-CG 3.68Å; W402-P416 HydrophobicContact CZ2-CB 3.37Å; W402-P416 VanDerWaalsContact CZ2-CD 3.49Å; W402-P416 HydrophobicContact CZ2-CG 3.4Å; W402-P416 VanDerWaalsContact CZ2-CG 3.4Å; W402-P416 HydrophobicContact CZ3-CB 3.88Å
403	P	94.9	Very high	91.4	Very high	7 Å²	7	47.8 Å²	47.8	5%	0.045	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	143.4	168.3	32.3	-33.8	0	0	0	109.6	K392 L393 I394 T410 L412 Y415	K392-P403 HydrophobicContact CD-CB 3.86Å; L393-P403 CarbonylContact O-C 3.6Å; L393-P403 WeakPolarHBondContact O-CA 3.38Å; I394-P403 HydrophobicContact CD1-CB 4.08Å; P403-T410 HydrophobicContact CG-CG2 4.21Å; P403-T410 WeakPolarHBondContact O-CG2 3.25Å; P403-L412 HydrophobicContact CG-CD2 4.49Å; P403-L412 WeakPolarHBondContact O-CD2 2.97Å; P403-Y415 VanDerWaalsContact CD-CD1 3.43Å; P403-Y415 VanDerWaalsContact CD-CZ 3.41Å; P403-Y415 HydrophobicContact CG-CD1 4.37Å; P403-Y415 HydrophobicContact CG-CD2 4.48Å; P403-Y415 HydrophobicContact CG-CE1 3.74Å; P403-Y415 HydrophobicContact CG-CE2 3.83Å; P403-Y415 VanDerWaalsContact CG-CZ 3.41Å
404	W	93.4	Very high	91.1	Very high	48 Å²	48	50.8 Å²	50.8	18%	0.182	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	125.4	178	-168.9	75.9	0	0	0	110	Y351 I377 L393 F395 E406	Y351-W404 AromaticContact CD1-CH2 3.95Å; Y351-W404 HydrophobicContact CD1-CH2 3.95Å; Y351-W404 AromaticContact CD1-CZ3 3.73Å; Y351-W404 HydrophobicContact CD1-CZ3 3.73Å; Y351-W404 AromaticContact CE1-CH2 3.57Å; Y351-W404 HydrophobicContact CE1-CH2 3.57Å; Y351-W404 AromaticContact CE1-CZ3 3.46Å; Y351-W404 HydrophobicContact CE1-CZ3 3.46Å; Y351-W404 VanDerWaalsContact CE1-CZ3 3.46Å; Y351-W404 HydrophobicContact CG-CZ3 4.48Å; I377-W404 HydrophobicContact CD1-CB 4.44Å; I377-W404 HydrophobicContact CD1-CG 4.29Å; L393-W404 HydrophobicContact CB-CE3 4.4Å; L393-W404 HydrophobicContact CD1-CE3 3.56Å; L393-W404 HydrophobicContact CD1-CZ3 3.69Å; L393-W404 HydrophobicContact CG-CE3 4.16Å; L393-W404 PolarHBondContact N-O 2.9Å; L393-W404 PolarHBondContact O-N 3.04Å; F395-W404 HydrophobicContact CD2-CB 4.22Å; F395-W404 HydrophobicContact CE2-CB 3.72Å; F395-W404 HydrophobicContact CE2-CD2 4.09Å; F395-W404 AromaticContact CE2-CG 3.73Å; F395-W404 HydrophobicContact CE2-CG 3.73Å; F395-W404 HydrophobicContact CZ-CB 3.95Å; F395-W404 AromaticContact CZ-CD2 3.99Å; F395-W404 HydrophobicContact CZ-CD2 3.99Å; F395-W404 HydrophobicContact CZ-CE3 4.01Å; F395-W404 HydrophobicContact CZ-CG 4Å; W404-E406 HydrophobicContact CE3-CG 4.01Å; W404-E406 HydrophobicContact CZ3-CB 4.29Å; W404-E406 HydrophobicContact CZ3-CG 3.63Å
405	D	89.6	Confident	91	Very high	38 Å²	38	53.4 Å²	53.4	20%	0.203	28%	0.283	C	S	.	.			trans	-100.9	123.4	179.3	-161.2	-38.2	0	0	0	110.6	R346 F407 G408 T410	R346-D405 IonicContact CZ-OD1 2.67Å; R346-D405 IonicContact NH1-OD1 3.78Å; R346-D405 PolarHBondContact NH1-OD1 3.13Å; R346-D405 IonicContact NH2-OD1 3.46Å; R346-D405 PolarHBondContact NH2-OD1 3.02Å; D405-F407 VanDerWaalsContact C-N 3.28Å; D405-F407 PolarHBondContact O-N 2.96Å; D405-F407 PolarHBondContact OD1-N 3.47Å; D405-F407 VanDerWaalsContact OD1-N 3.11Å; D405-G408 VanDerWaalsContact O-O 3.06Å; D405-T410 WeakPolarHBondContact CB-OG1 3.15Å; D405-T410 PolarHBondContact N-OG1 3.17Å
406	E	90.2	Very high	90.9	Very high	20 Å²	20	56.9 Å²	56.9	9%	0.093	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-16.6	-177	-54.4	99.8	103.8	0	0	114.7	S344 R346 T347 Y351 L393 W404	S344-E406 WeakPolarHBondContact CB-OE1 3.46Å; S344-E406 PolarHBondContact OG-OE1 3.09Å; R346-E406 IonicContact CZ-OE2 3.84Å; R346-E406 IonicContact NE-OE1 3.46Å; R346-E406 IonicContact NE-OE2 2.78Å; R346-E406 VanDerWaalsContact NH2-CD 3.31Å; R346-E406 IonicContact NH2-OE1 3.09Å; R346-E406 IonicContact NH2-OE2 3.91Å; R346-E406 PolarHBondContact NH2-OE2 3.41Å; T347-E406 HydrophobicContact CG2-CB 3.91Å; T347-E406 HydrophobicContact CG2-CG 4.38Å; Y351-E406 HydrophobicContact CE1-CG 4.44Å; Y351-E406 HydrophobicContact CE2-CG 4.04Å; Y351-E406 WeakPolarHBondContact OH-CG 3.44Å; L393-E406 HydrophobicContact CD1-CG 4.04Å; L393-E406 HydrophobicContact CG-CG 4.21Å; W404-E406 HydrophobicContact CE3-CG 4.01Å; W404-E406 HydrophobicContact CZ3-CB 4.29Å; W404-E406 HydrophobicContact CZ3-CG 3.63Å
407	F	83.4	Confident	90.8	Very high	148 Å²	148	61.7 Å²	61.7	65%	0.649	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-12.7	-177.4	-66.7	-75.6	0	0	0	114.7	R346 T347 D405	R346-F407 HydrophobicContact CG-CE2 4.01Å; T347-F407 HydrophobicContact CG2-CE1 4.39Å; T347-F407 HydrophobicContact CG2-CE2 4.04Å; T347-F407 HydrophobicContact CG2-CZ 3.79Å; D405-F407 VanDerWaalsContact C-N 3.28Å; D405-F407 PolarHBondContact O-N 2.96Å; D405-F407 PolarHBondContact OD1-N 3.47Å; D405-F407 VanDerWaalsContact OD1-N 3.11Å
408	G	76.6	Confident	90.8	Very high	32 Å²	32	62.3 Å²	62.3	33%	0.33	33%	0.334	S	S	.	.	S	Bend	trans	-171.1	173	-173.5	0	0	0	0	0	114.1	D405 T410	D405-G408 VanDerWaalsContact O-O 3.06Å; G408-T410 PolarHBondContact O-N 3.03Å
409	P	76.8	Confident	90.8	Very high	140 Å²	140	61.8 Å²	61.8	91%	0.909	33%	0.326	S	S	*	.			trans	-60.1	132.9	177.6	26.1	-33	0	0	0	110.1
410	T	83.1	Confident	90.7	Very high	26 Å²	26	59.8 Å²	59.8	16%	0.16	32%	0.32	C	S	.	.			trans	-93.7	132.9	172.1	-53.8	0	0	0	0	108.9	P403 D405 G408 L412	P403-T410 HydrophobicContact CG-CG2 4.21Å; P403-T410 WeakPolarHBondContact O-CG2 3.25Å; D405-T410 WeakPolarHBondContact CB-OG1 3.15Å; D405-T410 PolarHBondContact N-OG1 3.17Å; G408-T410 PolarHBondContact O-N 3.03Å; T410-L412 HydrophobicContact CG2-CD2 3.95Å; T410-L412 HydrophobicContact CG2-CG 4.41Å; T410-L412 PolarHBondContact O-N 2.86Å; T410-L412 VanDerWaalsContact O-N 3.12Å
411	D	86.2	Confident	90.6	Very high	91 Å²	91	64.9 Å²	64.9	49%	0.487	35%	0.346	S	S	.	.			trans	-70.9	107.3	172.2	-170.3	-6.5	0	0	0	109.5	R413	D411-R413 WeakPolarHBondContact OD1-CB 3.38Å; D411-R413 WeakPolarHBondContact OD1-CG 3.32Å; D411-R413 IonicContact OD1-CZ 3.87Å; D411-R413 PolarHBondContact OD1-N 2.85Å; D411-R413 VanDerWaalsContact OD1-N 3.13Å; D411-R413 IonicContact OD1-NE 2.99Å; D411-R413 PolarHBondContact OD1-NE 2.92Å; D411-R413 IonicContact OD1-NH2 3.85Å; D411-R413 IonicContact OD2-CZ 3.47Å; D411-R413 IonicContact OD2-NE 3.28Å; D411-R413 PolarHBondContact OD2-NE 2.9Å; D411-R413 IonicContact OD2-NH2 2.81Å; D411-R413 PolarHBondContact OD2-NH2 2.8Å
412	L	90.8	Very high	90.3	Very high	23 Å²	23	64.9 Å²	64.9	12%	0.12	35%	0.347	C	S	.	.			trans	-103.8	8	-176	-65.2	176.2	0	0	0	113.4	N376 I377 W402 P403 T410 S414 Y415	N376-L412 HydrophobicContact CB-CD1 4.15Å; N376-L412 WeakPolarHBondContact O-CD1 3.33Å; I377-L412 HydrophobicContact CD1-CD1 3.86Å; I377-L412 HydrophobicContact CG1-CD1 3.39Å; W402-L412 HydrophobicContact CB-CD2 4.42Å; P403-L412 HydrophobicContact CG-CD2 4.49Å; P403-L412 WeakPolarHBondContact O-CD2 2.97Å; T410-L412 HydrophobicContact CG2-CD2 3.95Å; T410-L412 HydrophobicContact CG2-CG 4.41Å; T410-L412 PolarHBondContact O-N 2.86Å; T410-L412 VanDerWaalsContact O-N 3.12Å; L412-S414 PolarHBondContact O-N 3.04Å; L412-S414 VanDerWaalsContact O-N 3.12Å; L412-Y415 HydrophobicContact CD2-CD2 4Å; L412-Y415 HydrophobicContact CD2-CG 4.25Å; L412-Y415 PolarHBondContact O-N 3.14Å
413	R	89.8	Confident	90.3	Very high	220 Å²	220	64 Å²	64	83%	0.83	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-25.9	-175.7	-74.5	179.4	-78.7	-171.1	-3.3	114.7	D411	D411-R413 WeakPolarHBondContact OD1-CB 3.38Å; D411-R413 WeakPolarHBondContact OD1-CG 3.32Å; D411-R413 IonicContact OD1-CZ 3.87Å; D411-R413 PolarHBondContact OD1-N 2.85Å; D411-R413 VanDerWaalsContact OD1-N 3.13Å; D411-R413 IonicContact OD1-NE 2.99Å; D411-R413 PolarHBondContact OD1-NE 2.92Å; D411-R413 IonicContact OD1-NH2 3.85Å; D411-R413 IonicContact OD2-CZ 3.47Å; D411-R413 IonicContact OD2-NE 3.28Å; D411-R413 PolarHBondContact OD2-NE 2.9Å; D411-R413 IonicContact OD2-NH2 2.81Å; D411-R413 PolarHBondContact OD2-NH2 2.8Å
414	S	91.4	Very high	90.2	Very high	64 Å²	64	68.5 Å²	68.5	45%	0.448	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	19.8	178.4	66	0	0	0	0	113.7	L412 R417	L412-S414 PolarHBondContact O-N 3.04Å; L412-S414 VanDerWaalsContact O-N 3.12Å; S414-R417 VanDerWaalsContact O-CG 3.29Å; S414-R417 WeakPolarHBondContact O-CG 3.27Å; S414-R417 PolarHBondContact OG-NH2 2.86Å
415	Y	93.3	Very high	90.2	Very high	56 Å²	56	68.5 Å²	68.5	22%	0.22	38%	0.382	C	S	.	.			trans	-119.8	149.2	-177	-69.2	-84.5	0	0	0	112.3	Y401 P403 L412 R417	Y401-Y415 HydrophobicContact CD2-CE1 4.15Å; Y401-Y415 HydrophobicContact CE2-CD1 4.28Å; Y401-Y415 AromaticContact CE2-CE1 3.53Å; Y401-Y415 HydrophobicContact CE2-CE1 3.53Å; Y401-Y415 AromaticContact CZ-CE1 3.88Å; Y401-Y415 VanDerWaalsContact O-CD1 3.26Å; Y401-Y415 WeakPolarHBondContact O-CD1 3.09Å; P403-Y415 VanDerWaalsContact CD-CD1 3.43Å; P403-Y415 VanDerWaalsContact CD-CZ 3.41Å; P403-Y415 HydrophobicContact CG-CD1 4.37Å; P403-Y415 HydrophobicContact CG-CD2 4.48Å; P403-Y415 HydrophobicContact CG-CE1 3.74Å; P403-Y415 HydrophobicContact CG-CE2 3.83Å; P403-Y415 VanDerWaalsContact CG-CZ 3.41Å; L412-Y415 HydrophobicContact CD2-CD2 4Å; L412-Y415 HydrophobicContact CD2-CG 4.25Å; L412-Y415 PolarHBondContact O-N 3.14Å; Y415-R417 HydrophobicContact CD1-CB 4.05Å; Y415-R417 HydrophobicContact CD1-CG 3.75Å; Y415-R417 HydrophobicContact CE1-CB 4.02Å; Y415-R417 HydrophobicContact CE1-CG 3.67Å; Y415-R417 HydrophobicContact CG-CG 4.5Å
416	P	95.4	Very high	90.4	Very high	73 Å²	73	67.8 Å²	67.8	47%	0.474	38%	0.379	S	S	.	.	S	Bend	cis	-71.3	147.2	6.5	23.4	-27.9	0	0	0	114.2	Y401 W402	Y401-P416 WeakPolarHBondContact O-CA 3.41Å; W402-P416 HydrophobicContact CD2-CB 4.18Å; W402-P416 HydrophobicContact CE3-CB 4.26Å; W402-P416 HydrophobicContact CH2-CB 3.45Å; W402-P416 VanDerWaalsContact CH2-CB 3.45Å; W402-P416 HydrophobicContact CH2-CG 3.68Å; W402-P416 HydrophobicContact CZ2-CB 3.37Å; W402-P416 VanDerWaalsContact CZ2-CD 3.49Å; W402-P416 HydrophobicContact CZ2-CG 3.4Å; W402-P416 VanDerWaalsContact CZ2-CG 3.4Å; W402-P416 HydrophobicContact CZ3-CB 3.88Å
417	R	95.7	Very high	90.6	Very high	101 Å²	101	68 Å²	68	38%	0.381	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	151.5	164.5	-71.2	-173.5	-177.9	-156.8	-0.3	109.5	G400 Y401 S414 Y415 I419	G400-R417 CarbonylContact C-O 3.6Å; G400-R417 VanDerWaalsContact CA-O 3.28Å; G400-R417 WeakPolarHBondContact CA-O 3.32Å; Y401-R417 HydrophobicContact CD1-CB 4.04Å; Y401-R417 WeakPolarHBondContact CD1-O 3.44Å; Y401-R417 HydrophobicContact CE1-CB 3.42Å; Y401-R417 VanDerWaalsContact CE1-CB 3.42Å; Y401-R417 PolarHBondContact N-O 3.08Å; Y401-R417 PolarHBondContact O-N 2.96Å; S414-R417 VanDerWaalsContact O-CG 3.29Å; S414-R417 WeakPolarHBondContact O-CG 3.27Å; S414-R417 PolarHBondContact OG-NH2 2.86Å; Y415-R417 HydrophobicContact CD1-CB 4.05Å; Y415-R417 HydrophobicContact CD1-CG 3.75Å; Y415-R417 HydrophobicContact CE1-CB 4.02Å; Y415-R417 HydrophobicContact CE1-CG 3.67Å; Y415-R417 HydrophobicContact CG-CG 4.5Å; R417-I419 PolarHBondContact O-N 3.09Å
418	P	96.6	Very high	91.1	Very high	74 Å²	74	63.3 Å²	63.3	48%	0.481	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	134.5	176.2	-25.8	33.6	0	0	0	111.9	S399 Y401 G420 N421	S399-P418 WeakPolarHBondContact O-CA 3.45Å; Y401-P418 WeakPolarHBondContact CE1-O 3.3Å; P418-G420 PolarHBondContact O-N 3.38Å; P418-N421 WeakPolarHBondContact O-CB 3.5Å; P418-N421 PolarHBondContact O-N 2.95Å
419	I	95.5	Very high	91.9	Very high	6 Å²	6	65.8 Å²	65.8	3%	0.031	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-56.7	-34.4	175.7	-63	172.1	0	0	0	110.6	L396 S399 R417 N421 L422 F423 V426	L396-I419 HydrophobicContact CB-CD1 4.36Å; L396-I419 HydrophobicContact CD2-CD1 4.16Å; L396-I419 HydrophobicContact CD2-CG1 4.06Å; S399-I419 WeakPolarHBondContact O-CG1 3.46Å; S399-I419 PolarHBondContact O-N 3.45Å; R417-I419 PolarHBondContact O-N 3.09Å; I419-N421 PolarHBondContact O-N 3.47Å; I419-L422 CarbonylContact O-C 3.47Å; I419-L422 WeakPolarHBondContact O-CA 3.47Å; I419-L422 PolarHBondContact O-N 3.1Å; I419-F423 HydrophobicContact CG2-CD2 4.21Å; I419-F423 PolarHBondContact O-N 3.45Å; I419-V426 HydrophobicContact CB-CG2 4.49Å; I419-V426 HydrophobicContact CG2-CG2 3.36Å
420	G	93.3	Very high	92.8	Very high	46 Å²	46	59.2 Å²	59.2	47%	0.474	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-54.6	-23.4	175.2	0	0	0	0	0	115	P418 L422 F423	P418-G420 PolarHBondContact O-N 3.38Å; G420-L422 VanDerWaalsContact C-N 3.32Å; G420-F423 WeakPolarHBondContact CA-O 3.3Å
421	N	93.3	Very high	93.5	Very high	112 Å²	112	59.7 Å²	59.7	60%	0.599	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-75.5	-23.4	175.2	-64.6	1.3	0	0	0	112.5	P418 I419	P418-N421 WeakPolarHBondContact O-CB 3.5Å; P418-N421 PolarHBondContact O-N 2.95Å; I419-N421 PolarHBondContact O-N 3.47Å
422	L	92.1	Very high	94	Very high	17 Å²	17	55.4 Å²	55.4	9%	0.089	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-50.3	172.3	-78.2	-179.8	0	0	0	111.5	F387 I394 Y401 I419 G420 Q457	F387-L422 HydrophobicContact CE1-CD2 4.26Å; I394-L422 HydrophobicContact CD1-CD1 4.33Å; I394-L422 HydrophobicContact CG1-CD1 4.44Å; I394-L422 HydrophobicContact CG2-CD1 3.86Å; Y401-L422 HydrophobicContact CD1-CD1 3.77Å; Y401-L422 HydrophobicContact CD1-CG 4.05Å; Y401-L422 HydrophobicContact CD2-CD1 3.4Å; Y401-L422 HydrophobicContact CD2-CG 4.28Å; Y401-L422 HydrophobicContact CE1-CB 4.41Å; Y401-L422 HydrophobicContact CE1-CD1 3.75Å; Y401-L422 HydrophobicContact CE1-CG 3.59Å; Y401-L422 HydrophobicContact CE2-CD1 3.39Å; Y401-L422 HydrophobicContact CE2-CD2 4.42Å; Y401-L422 HydrophobicContact CE2-CG 3.87Å; Y401-L422 HydrophobicContact CG-CD1 3.59Å; Y401-L422 HydrophobicContact CG-CG 4.37Å; Y401-L422 VanDerWaalsContact CZ-CG 3.49Å; I419-L422 CarbonylContact O-C 3.47Å; I419-L422 WeakPolarHBondContact O-CA 3.47Å; I419-L422 PolarHBondContact O-N 3.1Å; G420-L422 VanDerWaalsContact C-N 3.32Å; L422-Q457 WeakPolarHBondContact O-CB 3.36Å; L422-Q457 WeakPolarHBondContact O-CG 3.38Å; L422-Q457 PolarHBondContact O-OE1 3.05Å
423	F	94.6	Very high	94.3	Very high	1 Å²	1	54.4 Å²	54.4	0%	0.004	30%	0.304	C	S	.	.	S	Bend	trans	-130.8	113	-173.6	-51.6	-58.6	0	0	0	109.5	L385 F387 I419 G420 V426 V441 M443 V452	L385-F423 HydrophobicContact CD1-CZ 4.25Å; L385-F423 HydrophobicContact CD2-CE2 4.05Å; L385-F423 HydrophobicContact CD2-CZ 4.28Å; F387-F423 HydrophobicContact CD2-CE1 4.33Å; F387-F423 HydrophobicContact CD2-CZ 4.18Å; F387-F423 AromaticContact CE2-CE1 3.87Å; F387-F423 HydrophobicContact CE2-CE1 3.87Å; F387-F423 HydrophobicContact CE2-CZ 4.16Å; F387-F423 HydrophobicContact CZ-CE1 4.4Å; I419-F423 HydrophobicContact CG2-CD2 4.21Å; I419-F423 PolarHBondContact O-N 3.45Å; G420-F423 WeakPolarHBondContact CA-O 3.3Å; F423-V426 HydrophobicContact CB-CB 4.49Å; F423-V426 HydrophobicContact CB-CG1 3.76Å; F423-V426 HydrophobicContact CB-CG2 3.86Å; F423-V441 HydrophobicContact CE1-CB 4.4Å; F423-V441 HydrophobicContact CE1-CG1 4.4Å; F423-V441 HydrophobicContact CE1-CG2 4.07Å; F423-V441 HydrophobicContact CZ-CG1 4.18Å; F423-V441 HydrophobicContact CZ-CG2 4.26Å; F423-M443 HydrophobicContact CD2-CE 3.3Å; F423-M443 HydrophobicContact CE2-CE 3.37Å; F423-M443 HydrophobicContact CG-CE 4.15Å; F423-M443 HydrophobicContact CZ-CE 4.24Å; F423-V452 HydrophobicContact CB-CG1 4.24Å; F423-V452 HydrophobicContact CB-CG2 4.39Å; F423-V452 HydrophobicContact CD1-CB 4.5Å; F423-V452 HydrophobicContact CD1-CG1 3.8Å; F423-V452 HydrophobicContact CG-CG1 4.38Å
424	N	94.3	Very high	94.7	Very high	102 Å²	102	44.2 Å²	44.2	55%	0.545	27%	0.267	S	S	.	.	B	Isolated β-bridge	trans	-84	128.1	179.8	-167.3	-13.7	0	0	0	110.7	Q457 V458 V459	N424-Q457 PolarHBondContact N-O 3.2Å; N424-V458 HydrophobicContact CB-CG2 4.39Å; N424-V459 PolarHBondContact O-N 2.98Å
425	G	92.6	Very high	94.8	Very high	48 Å²	48	41.7 Å²	41.7	50%	0.495	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.7	2	176.3	0	0	0	0	0	115.7	V459	G425-V459 VanDerWaalsContact C-CG2 3.43Å; G425-V459 WeakPolarHBondContact O-CG2 3.35Å
426	V	94.3	Very high	94.8	Very high	24 Å²	24	42.5 Å²	42.5	15%	0.145	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-80.5	148	175.6	-59.4	0	0	0	0	111.5	I419 F423 M443 V452 V459	I419-V426 HydrophobicContact CB-CG2 4.49Å; I419-V426 HydrophobicContact CG2-CG2 3.36Å; F423-V426 HydrophobicContact CB-CB 4.49Å; F423-V426 HydrophobicContact CB-CG1 3.76Å; F423-V426 HydrophobicContact CB-CG2 3.86Å; V426-M443 HydrophobicContact CB-CG 4.27Å; V426-M443 HydrophobicContact CG1-CG 3.91Å; V426-V452 HydrophobicContact CG1-CG2 3.4Å; V426-V452 VanDerWaalsContact CG1-CG2 3.4Å; V426-V459 HydrophobicContact CB-CG2 4.48Å; V426-V459 HydrophobicContact CG1-CG2 3.6Å
427	P	93.9	Very high	94.5	Very high	24 Å²	24	43.2 Å²	43.2	16%	0.156	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-70.8	155.2	175.4	31	-36.3	0	0	0	111.7	T430 K445 W450	P427-T430 HydrophobicContact CG-CG2 4.34Å; P427-T430 WeakPolarHBondContact O-CG2 3.36Å; P427-K445 HydrophobicContact CB-CD 3.84Å; P427-K445 HydrophobicContact CG-CB 4.35Å; P427-K445 HydrophobicContact CG-CD 4.03Å; P427-W450 HydrophobicContact CB-CZ2 4.4Å; P427-W450 HydrophobicContact CG-CD2 3.85Å; P427-W450 HydrophobicContact CG-CE3 3.76Å; P427-W450 HydrophobicContact CG-CH2 3.91Å; P427-W450 HydrophobicContact CG-CZ2 3.91Å; P427-W450 HydrophobicContact CG-CZ3 3.83Å
428	S	93.2	Very high	94.2	Very high	49 Å²	49	41.5 Å²	41.5	34%	0.343	25%	0.253	S	S	.	.	S	Bend	trans	-76.4	161.3	164.3	59.3	0	0	0	0	111.2	G398 K445	G398-S428 WeakPolarHBondContact O-CA 3.49Å; G398-S428 WeakPolarHBondContact O-CB 3.44Å; S428-K445 PolarHBondContact O-NZ 2.96Å
429	N	93.6	Very high	93.7	Very high	85 Å²	85	39.8 Å²	39.8	46%	0.455	25%	0.249	S	C	.	.	S	Bend	trans	54.5	56.5	179.1	-48.5	-87	0	0	0	111.6	G398	G398-N429 WeakPolarHBondContact CA-OD1 3.34Å; G398-N429 PolarHBondContact O-N 3.47Å
430	T	96.3	Very high	93.6	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.012	26%	0.259	C	S	.	.			trans	-72.4	137.7	175.6	54.8	0	0	0	0	110.1	D382 S383 P427 M443 F444	D382-T430 CarbonylContact C-O 3.52Å; D382-T430 VanDerWaalsContact CB-O 3.25Å; D382-T430 WeakPolarHBondContact CB-O 3.1Å; D382-T430 VanDerWaalsContact O-O 3.09Å; S383-T430 WeakPolarHBondContact CB-OG1 3.4Å; S383-T430 PolarHBondContact OG-OG1 3.1Å; P427-T430 HydrophobicContact CG-CG2 4.34Å; P427-T430 WeakPolarHBondContact O-CG2 3.36Å; T430-M443 HydrophobicContact CG2-CB 4.04Å; T430-M443 HydrophobicContact CG2-CG 4.44Å; T430-M443 HydrophobicContact CG2-SD 4.32Å; T430-F444 CarbonylContact C-O 3.54Å; T430-F444 WeakPolarHBondContact CA-O 3.31Å
431	D	96.8	Very high	93.8	Very high	36 Å²	36	40.3 Å²	40.3	19%	0.193	24%	0.236	C	C	.	.	S	Bend	trans	-77.5	-27.3	176.9	-63.3	-56.7	0	0	0	112.7	K293 L294 D295 D382 F444 K445 G446	K293-D431 WeakPolarHBondContact CE-OD1 3.48Å; K293-D431 IonicContact NZ-OD1 3.69Å; L294-D431 WeakPolarHBondContact O-CB 3.5Å; D295-D431 CarbonylContact C-O 3.51Å; D295-D431 VanDerWaalsContact O-O 3.05Å; D382-D431 CarbonylContact O-C 3.52Å; D431-F444 PolarHBondContact N-O 2.87Å; D431-K445 VanDerWaalsContact OD2-CA 3.31Å; D431-K445 WeakPolarHBondContact OD2-CA 3.23Å; D431-G446 PolarHBondContact OD2-N 3.07Å
432	A	97.8	Very high	94	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.008	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	162.5	175.8	0	0	0	0	0	111.5	V297 S383 F444	V297-A432 HydrophobicContact CB-CB 4.13Å; V297-A432 HydrophobicContact CG2-CB 3.71Å; S383-A432 VanDerWaalsContact CB-C 3.49Å; A432-F444 HydrophobicContact CB-CB 4.06Å; A432-F444 HydrophobicContact CB-CD2 3.87Å; A432-F444 HydrophobicContact CB-CG 4.27Å; A432-F444 PolarHBondContact N-O 3.05Å; A432-F444 PolarHBondContact O-N 3.25Å
433	A	97.7	Very high	94.2	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.008	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	144.6	175.6	0	0	0	0	0	110.9	V297 L385 L396 Y442 M443	V297-A433 VanDerWaalsContact O-O 3.08Å; L385-A433 HydrophobicContact CB-CB 4.16Å; L385-A433 HydrophobicContact CD2-CB 3.66Å; L396-A433 HydrophobicContact CD1-CB 4.39Å; A433-Y442 CarbonylContact C-O 3.39Å; A433-Y442 VanDerWaalsContact CA-O 3.22Å; A433-Y442 WeakPolarHBondContact CA-O 3.49Å; A433-M443 HydrophobicContact CB-CE 4.42Å; A433-M443 HydrophobicContact CB-SD 3.41Å; A433-M443 WeakPolarHBondContact CB-SD 3.42Å
434	V	96.6	Very high	94.4	Very high	6 Å²	6	34.6 Å²	34.6	4%	0.036	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	139	174.9	72.2	0	0	0	0	111.2	V297 L299 W436 V441 Y442 F444 W471	V297-V434 HydrophobicContact CB-CB 4.34Å; V297-V434 HydrophobicContact CG1-CB 3.93Å; V297-V434 HydrophobicContact CG1-CG1 3.81Å; V297-V434 HydrophobicContact CG1-CG2 4.37Å; L299-V434 HydrophobicContact CB-CG2 3.75Å; V434-W436 HydrophobicContact CG1-CB 4.49Å; V434-V441 WeakPolarHBondContact O-CA 3.42Å; V434-Y442 PolarHBondContact N-O 3.44Å; V434-Y442 PolarHBondContact O-N 2.97Å; V434-F444 HydrophobicContact CG1-CE2 4Å; V434-F444 HydrophobicContact CG1-CZ 4.43Å; V434-W471 HydrophobicContact CG1-CH2 3.94Å; V434-W471 HydrophobicContact CG1-CZ3 4.44Å
435	T	94.8	Very high	94.5	Very high	11 Å²	11	33.3 Å²	33.3	7%	0.067	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	114.6	161.2	-63.1	0	0	0	0	107.7	Y386 P388	Y386-T435 WeakPolarHBondContact O-CB 3.36Å; Y386-T435 PolarHBondContact O-OG1 3.33Å; P388-T435 HydrophobicContact CG-CG2 3.97Å
436	W	92.7	Very high	94.6	Very high	74 Å²	74	33.4 Å²	33.4	28%	0.28	20%	0.196	S	C	.	.			trans	-96.2	174.8	-170.7	-156.6	35	0	0	0	113.3	T305 V434 D438 G439 Y440 Y442 W471	T305-W436 PolarHBondContact OG1-NE1 3.3Å; V434-W436 HydrophobicContact CG1-CB 4.49Å; W436-D438 PolarHBondContact O-N 3.02Å; W436-G439 PolarHBondContact O-N 2.88Å; W436-G439 VanDerWaalsContact O-N 3.08Å; W436-Y440 PolarHBondContact N-O 3.39Å; W436-Y442 HydrophobicContact CB-CD2 3.66Å; W436-Y442 HydrophobicContact CB-CE2 3.65Å; W436-Y442 HydrophobicContact CD2-CE2 4.28Å; W436-Y442 HydrophobicContact CE3-CD2 4.4Å; W436-Y442 AromaticContact CE3-CE2 3.63Å; W436-Y442 HydrophobicContact CE3-CE2 3.63Å; W436-Y442 AromaticContact CE3-CZ 3.83Å; W436-Y442 HydrophobicContact CG-CE2 4.35Å; W436-W471 HydrophobicContact CB-CH2 4.31Å; W436-W471 AromaticContact CD2-CH2 3.51Å; W436-W471 HydrophobicContact CD2-CH2 3.51Å; W436-W471 HydrophobicContact CD2-CZ2 4.2Å; W436-W471 HydrophobicContact CD2-CZ3 4.12Å; W436-W471 AromaticContact CE2-CH2 3.81Å; W436-W471 AromaticContact CE2-CZ3 3.91Å; W436-W471 AromaticContact CE3-CH2 3.76Å; W436-W471 HydrophobicContact CE3-CH2 3.76Å; W436-W471 AromaticContact CE3-CZ2 3.96Å; W436-W471 HydrophobicContact CE3-CZ2 3.96Å; W436-W471 AromaticContact CG-CH2 3.78Å; W436-W471 HydrophobicContact CG-CH2 3.78Å; W436-W471 HydrophobicContact CG-CZ3 4.44Å; W436-W471 HydrophobicContact CH2-CH2 4.46Å; W436-W471 HydrophobicContact CZ2-CH2 4.29Å; W436-W471 HydrophobicContact CZ2-CZ3 4.18Å; W436-W471 HydrophobicContact CZ3-CH2 4.22Å; W436-W471 HydrophobicContact CZ3-CZ2 4.23Å
437	T	88.9	Confident	94.5	Very high	88 Å²	88	36 Å²	36	54%	0.54	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-22.3	-172.7	47.9	0	0	0	0	113.7	L299 G439	L299-T437 HydrophobicContact CD1-CG2 3.85Å; L299-T437 HydrophobicContact CD2-CG2 3.6Å; L299-T437 HydrophobicContact CG-CG2 4.35Å; T437-G439 PolarHBondContact O-N 3.28Å
438	D	88.9	Confident	94.6	Very high	65 Å²	65	38.8 Å²	38.8	35%	0.348	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-1.6	176.2	63.3	1.8	0	0	0	113.5	W436 Y440 Y442	W436-D438 PolarHBondContact O-N 3.02Å; D438-Y440 HydrophobicContact CB-CD2 4.06Å; D438-Y440 VanDerWaalsContact CG-CD2 3.49Å; D438-Y440 WeakPolarHBondContact O-CD2 3.33Å; D438-Y440 PolarHBondContact OD1-N 3.4Å; D438-Y442 WeakPolarHBondContact OD2-CE2 3.49Å; D438-Y442 PolarHBondContact OD2-OH 3.22Å
439	G	86.8	Confident	94.8	Very high	38 Å²	38	36.5 Å²	36.5	39%	0.392	21%	0.21	S	C	.	.	S	Bend	trans	82.2	8.7	179.5	0	0	0	0	0	114.6	W436 T437 Q454	W436-G439 PolarHBondContact O-N 2.88Å; W436-G439 VanDerWaalsContact O-N 3.08Å; T437-G439 PolarHBondContact O-N 3.28Å; G439-Q454 VanDerWaalsContact O-CD 3.24Å; G439-Q454 VanDerWaalsContact O-CG 3.22Å; G439-Q454 WeakPolarHBondContact O-CG 3.39Å; G439-Q454 PolarHBondContact O-NE2 3.46Å
440	Y	94.3	Very high	95	Very high	63 Å²	63	34 Å²	34	25%	0.247	19%	0.194	C	C	.	.			trans	-94.3	158.7	172.8	-65.9	-97	0	0	0	111.4	W436 D438 R451 N453 E460	W436-Y440 PolarHBondContact N-O 3.39Å; D438-Y440 HydrophobicContact CB-CD2 4.06Å; D438-Y440 VanDerWaalsContact CG-CD2 3.49Å; D438-Y440 WeakPolarHBondContact O-CD2 3.33Å; D438-Y440 PolarHBondContact OD1-N 3.4Å; Y440-R451 HydrophobicContact CD1-CG 3.69Å; Y440-R451 HydrophobicContact CG-CG 3.83Å; Y440-N453 HydrophobicContact CD1-CB 4.27Å; Y440-N453 HydrophobicContact CE1-CB 3.99Å; Y440-E460 WeakPolarHBondContact CE1-OE1 3.48Å
441	V	96.4	Very high	95.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	130.6	168.1	177.4	0	0	0	0	108.1	L385 F423 V434 M443 V452 Q454	L385-V441 HydrophobicContact CD1-CG1 4.42Å; L385-V441 HydrophobicContact CD1-CG2 4.48Å; L385-V441 HydrophobicContact CD2-CG1 3.9Å; F423-V441 HydrophobicContact CE1-CB 4.4Å; F423-V441 HydrophobicContact CE1-CG1 4.4Å; F423-V441 HydrophobicContact CE1-CG2 4.07Å; F423-V441 HydrophobicContact CZ-CG1 4.18Å; F423-V441 HydrophobicContact CZ-CG2 4.26Å; V434-V441 WeakPolarHBondContact O-CA 3.42Å; V441-M443 HydrophobicContact CG1-CE 3.76Å; V441-M443 HydrophobicContact CG1-SD 4.39Å; V441-V452 HydrophobicContact CB-CB 4.19Å; V441-V452 PolarHBondContact N-O 2.96Å; V441-V452 VanDerWaalsContact N-O 3.11Å; V441-V452 PolarHBondContact O-N 2.78Å; V441-Q454 HydrophobicContact CG2-CG 3.85Å
442	Y	97.1	Very high	95.1	Very high	7 Å²	7	34.9 Å²	34.9	3%	0.027	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	128.9	177.4	-68.2	-92.4	0	0	0	109.5	A433 V434 W436 D438 H449 W450 R451 W471	A433-Y442 CarbonylContact C-O 3.39Å; A433-Y442 VanDerWaalsContact CA-O 3.22Å; A433-Y442 WeakPolarHBondContact CA-O 3.49Å; V434-Y442 PolarHBondContact N-O 3.44Å; V434-Y442 PolarHBondContact O-N 2.97Å; W436-Y442 HydrophobicContact CB-CD2 3.66Å; W436-Y442 HydrophobicContact CB-CE2 3.65Å; W436-Y442 HydrophobicContact CD2-CE2 4.28Å; W436-Y442 HydrophobicContact CE3-CD2 4.4Å; W436-Y442 AromaticContact CE3-CE2 3.63Å; W436-Y442 HydrophobicContact CE3-CE2 3.63Å; W436-Y442 AromaticContact CE3-CZ 3.83Å; W436-Y442 HydrophobicContact CG-CE2 4.35Å; D438-Y442 WeakPolarHBondContact OD2-CE2 3.49Å; D438-Y442 PolarHBondContact OD2-OH 3.22Å; Y442-H449 AromaticContact CD1-CD2 3.88Å; Y442-W450 VanDerWaalsContact CA-O 3.31Å; Y442-W450 WeakPolarHBondContact CA-O 3.22Å; Y442-R451 HydrophobicContact CD1-CB 4.08Å; Y442-R451 HydrophobicContact CD1-CG 4.14Å; Y442-R451 HydrophobicContact CE1-CB 3.82Å; Y442-R451 HydrophobicContact CE1-CG 3.62Å; Y442-R451 HydrophobicContact CE2-CG 4.38Å; Y442-R451 VanDerWaalsContact CZ-CD 3.41Å; Y442-R451 WeakPolarHBondContact OH-CD 3.48Å; Y442-W471 AromaticContact CD1-CZ2 3.49Å; Y442-W471 HydrophobicContact CD1-CZ2 3.49Å; Y442-W471 VanDerWaalsContact CD1-CZ2 3.49Å; Y442-W471 HydrophobicContact CD2-CH2 4.12Å; Y442-W471 AromaticContact CD2-CZ2 3.77Å; Y442-W471 HydrophobicContact CD2-CZ2 3.77Å; Y442-W471 AromaticContact CE1-CZ2 3.79Å; Y442-W471 HydrophobicContact CE1-CZ2 3.79Å; Y442-W471 HydrophobicContact CE2-CZ2 4.09Å; Y442-W471 HydrophobicContact CG-CH2 4.12Å; Y442-W471 AromaticContact CG-CZ2 3.44Å; Y442-W471 HydrophobicContact CG-CZ2 3.44Å; Y442-W471 VanDerWaalsContact CG-CZ2 3.44Å
443	M	97.8	Very high	94.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	134.2	173.7	-60.5	-63.5	-175.4	0	0	108.5	L385 L396 F423 V426 T430 A433 V441 H449 W450	L385-M443 HydrophobicContact CD2-CE 3.64Å; L385-M443 HydrophobicContact CD2-SD 4.29Å; L396-M443 HydrophobicContact CD1-CE 3.63Å; L396-M443 HydrophobicContact CD1-SD 3.8Å; F423-M443 HydrophobicContact CD2-CE 3.3Å; F423-M443 HydrophobicContact CE2-CE 3.37Å; F423-M443 HydrophobicContact CG-CE 4.15Å; F423-M443 HydrophobicContact CZ-CE 4.24Å; V426-M443 HydrophobicContact CB-CG 4.27Å; V426-M443 HydrophobicContact CG1-CG 3.91Å; T430-M443 HydrophobicContact CG2-CB 4.04Å; T430-M443 HydrophobicContact CG2-CG 4.44Å; T430-M443 HydrophobicContact CG2-SD 4.32Å; A433-M443 HydrophobicContact CB-CE 4.42Å; A433-M443 HydrophobicContact CB-SD 3.41Å; A433-M443 WeakPolarHBondContact CB-SD 3.42Å; V441-M443 HydrophobicContact CG1-CE 3.76Å; V441-M443 HydrophobicContact CG1-SD 4.39Å; M443-H449 CarbonylContact O-C 3.55Å; M443-H449 WeakPolarHBondContact O-CA 3.12Å; M443-H449 WeakPolarHBondContact O-CB 3.44Å; M443-W450 HydrophobicContact CB-CB 4.43Å; M443-W450 PolarHBondContact N-O 3.15Å; M443-W450 PolarHBondContact O-N 3.47Å
444	F	97.4	Very high	94.4	Very high	3 Å²	3	37.5 Å²	37.5	1%	0.013	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	138.7	-178.9	-56	-96.4	0	0	0	109.6	L294 V297 T430 D431 A432 V434 H449 T467 W471	L294-F444 HydrophobicContact CD1-CB 4.41Å; L294-F444 HydrophobicContact CD1-CD1 3.95Å; L294-F444 HydrophobicContact CD1-CG 4.23Å; V297-F444 HydrophobicContact CB-CD2 4.45Å; V297-F444 HydrophobicContact CB-CE2 4.05Å; V297-F444 HydrophobicContact CG1-CE2 4.21Å; V297-F444 HydrophobicContact CG1-CZ 4.42Å; V297-F444 HydrophobicContact CG2-CD2 4.01Å; V297-F444 HydrophobicContact CG2-CE2 3.86Å; V297-F444 HydrophobicContact CG2-CG 4.49Å; V297-F444 HydrophobicContact CG2-CZ 4.21Å; T430-F444 CarbonylContact C-O 3.54Å; T430-F444 WeakPolarHBondContact CA-O 3.31Å; D431-F444 PolarHBondContact N-O 2.87Å; A432-F444 HydrophobicContact CB-CB 4.06Å; A432-F444 HydrophobicContact CB-CD2 3.87Å; A432-F444 HydrophobicContact CB-CG 4.27Å; A432-F444 PolarHBondContact N-O 3.05Å; A432-F444 PolarHBondContact O-N 3.25Å; V434-F444 HydrophobicContact CG1-CE2 4Å; V434-F444 HydrophobicContact CG1-CZ 4.43Å; F444-H449 HydrophobicContact CD1-CB 3.63Å; F444-H449 HydrophobicContact CE1-CB 3.89Å; F444-H449 HydrophobicContact CG-CB 4.3Å; F444-T467 HydrophobicContact CD1-CG2 3.82Å; F444-T467 HydrophobicContact CE1-CG2 4.02Å; F444-W471 AromaticContact CE1-CD1 3.97Å; F444-W471 AromaticContact CE1-CD2 3.8Å; F444-W471 HydrophobicContact CE1-CD2 3.8Å; F444-W471 AromaticContact CE1-CE2 3.76Å; F444-W471 HydrophobicContact CE1-CE3 4.38Å; F444-W471 AromaticContact CE1-CG 3.99Å; F444-W471 HydrophobicContact CE1-CG 3.99Å; F444-W471 HydrophobicContact CE1-CZ2 4.33Å; F444-W471 AromaticContact CE1-NE1 3.82Å; F444-W471 AromaticContact CZ-CD2 3.8Å; F444-W471 HydrophobicContact CZ-CD2 3.8Å; F444-W471 AromaticContact CZ-CE2 3.59Å; F444-W471 HydrophobicContact CZ-CE3 4.05Å; F444-W471 HydrophobicContact CZ-CG 4.47Å; F444-W471 AromaticContact CZ-CH2 3.96Å; F444-W471 HydrophobicContact CZ-CH2 3.96Å; F444-W471 AromaticContact CZ-CZ2 3.71Å; F444-W471 HydrophobicContact CZ-CZ2 3.71Å; F444-W471 HydrophobicContact CZ-CZ3 4.12Å
445	K	96.7	Very high	94	Very high	74 Å²	74	46.2 Å²	46.2	32%	0.322	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	120.3	173.7	-172.9	178.2	-179.8	174.8	0	110.2	P427 S428 D431 S447 Q448 W450	P427-K445 HydrophobicContact CB-CD 3.84Å; P427-K445 HydrophobicContact CG-CB 4.35Å; P427-K445 HydrophobicContact CG-CD 4.03Å; S428-K445 PolarHBondContact O-NZ 2.96Å; D431-K445 VanDerWaalsContact OD2-CA 3.31Å; D431-K445 WeakPolarHBondContact OD2-CA 3.23Å; K445-S447 PolarHBondContact O-N 3.42Å; K445-Q448 PolarHBondContact N-O 2.94Å; K445-Q448 PolarHBondContact O-N 3.24Å; K445-Q448 VanDerWaalsContact O-N 3.11Å; K445-Q448 VanDerWaalsContact O-O 3.13Å; K445-W450 HydrophobicContact CB-CH2 4.11Å; K445-W450 HydrophobicContact CB-CZ3 3.64Å
446	G	94.1	Very high	93.8	Very high	50 Å²	50	50.4 Å²	50.4	52%	0.515	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.6	-132	-173	0	0	0	0	0	111.3	D431 Q448	D431-G446 PolarHBondContact OD2-N 3.07Å; G446-Q448 VanDerWaalsContact C-N 3.26Å; G446-Q448 PolarHBondContact O-N 3.44Å
447	S	93.6	Very high	93.8	Very high	79 Å²	79	48.1 Å²	48.1	55%	0.552	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	3.3	175.3	57.8	0	0	0	0	113.8	K445 T467	K445-S447 PolarHBondContact O-N 3.42Å; S447-T467 PolarHBondContact O-N 3.12Å; S447-T467 PolarHBondContact O-OG1 3.05Å
448	Q	96.1	Very high	94.1	Very high	82 Å²	82	46.8 Å²	46.8	38%	0.383	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	154.2	-171.4	-70.7	-171.8	-37.6	0	0	112.5	K445 G446 W450 P464 Q465 T467	K445-Q448 PolarHBondContact N-O 2.94Å; K445-Q448 PolarHBondContact O-N 3.24Å; K445-Q448 VanDerWaalsContact O-N 3.11Å; K445-Q448 VanDerWaalsContact O-O 3.13Å; G446-Q448 VanDerWaalsContact C-N 3.26Å; G446-Q448 PolarHBondContact O-N 3.44Å; Q448-W450 HydrophobicContact CB-CH2 3.78Å; Q448-W450 HydrophobicContact CB-CZ3 3.8Å; Q448-P464 HydrophobicContact CB-CB 3.92Å; Q448-P464 HydrophobicContact CG-CB 4.26Å; Q448-Q465 CarbonylContact C-O 3.55Å; Q448-Q465 WeakPolarHBondContact CA-O 3.31Å; Q448-T467 PolarHBondContact O-OG1 3.5Å
449	H	97.2	Very high	94.5	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.009	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	154.7	170.3	69.7	-72.8	0	0	0	112.4	Y442 M443 F444 Y463 P464 Q465 D466 T467 W471	Y442-H449 AromaticContact CD1-CD2 3.88Å; M443-H449 CarbonylContact O-C 3.55Å; M443-H449 WeakPolarHBondContact O-CA 3.12Å; M443-H449 WeakPolarHBondContact O-CB 3.44Å; F444-H449 HydrophobicContact CD1-CB 3.63Å; F444-H449 HydrophobicContact CE1-CB 3.89Å; F444-H449 HydrophobicContact CG-CB 4.3Å; H449-Y463 AromaticContact CD2-CE1 3.77Å; H449-Y463 AromaticContact NE2-CE1 3.47Å; H449-Y463 WeakPolarHBondContact NE2-CE1 3.37Å; H449-Y463 WeakPolarHBondContact O-CD1 3.28Å; H449-P464 CarbonylContact O-C 3.37Å; H449-P464 WeakPolarHBondContact O-CA 3.4Å; H449-Q465 PolarHBondContact N-O 3.3Å; H449-Q465 PolarHBondContact ND1-O 2.64Å; H449-Q465 PolarHBondContact O-N 2.62Å; H449-D466 PolarHBondContact CE1-O 2.94Å; H449-D466 VanDerWaalsContact CE1-O 3.3Å; H449-D466 PolarHBondContact ND1-O 3.31Å; H449-T467 PolarHBondContact N-OG1 3.01Å; H449-T467 PolarHBondContact ND1-OG1 3.02Å; H449-W471 AromaticContact CD2-CD1 3.98Å; H449-W471 AromaticContact CD2-NE1 3.4Å; H449-W471 PolarHBondContact CD2-NE1 3.41Å; H449-W471 AromaticContact CE1-CD1 3.81Å; H449-W471 AromaticContact CE1-NE1 3.93Å; H449-W471 AromaticContact CG-NE1 3.87Å; H449-W471 AromaticContact ND1-CD1 4Å; H449-W471 AromaticContact NE2-CD1 3.76Å; H449-W471 AromaticContact NE2-NE1 3.41Å; H449-W471 PolarHBondContact NE2-NE1 3.32Å
450	W	97.9	Very high	94.9	Very high	31 Å²	31	45.1 Å²	45.1	12%	0.117	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	134.7	177.3	-68.1	-106.6	0	0	0	109.3	P427 Y442 M443 K445 Q448 V459 P464	P427-W450 HydrophobicContact CB-CZ2 4.4Å; P427-W450 HydrophobicContact CG-CD2 3.85Å; P427-W450 HydrophobicContact CG-CE3 3.76Å; P427-W450 HydrophobicContact CG-CH2 3.91Å; P427-W450 HydrophobicContact CG-CZ2 3.91Å; P427-W450 HydrophobicContact CG-CZ3 3.83Å; Y442-W450 VanDerWaalsContact CA-O 3.31Å; Y442-W450 WeakPolarHBondContact CA-O 3.22Å; M443-W450 HydrophobicContact CB-CB 4.43Å; M443-W450 PolarHBondContact N-O 3.15Å; M443-W450 PolarHBondContact O-N 3.47Å; K445-W450 HydrophobicContact CB-CH2 4.11Å; K445-W450 HydrophobicContact CB-CZ3 3.64Å; Q448-W450 HydrophobicContact CB-CH2 3.78Å; Q448-W450 HydrophobicContact CB-CZ3 3.8Å; W450-V459 HydrophobicContact CB-CG2 4.29Å; W450-P464 HydrophobicContact CD2-CB 3.98Å; W450-P464 HydrophobicContact CE3-CB 4.43Å; W450-P464 HydrophobicContact CG-CB 4.47Å; W450-P464 HydrophobicContact CH2-CB 4.07Å; W450-P464 HydrophobicContact CH2-CG 4.49Å; W450-P464 HydrophobicContact CZ2-CB 3.65Å; W450-P464 HydrophobicContact CZ2-CG 3.77Å; W450-P464 HydrophobicContact CZ3-CB 4.43Å
451	R	97.5	Very high	94.9	Very high	58 Å²	58	52.3 Å²	52.3	22%	0.219	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	124.4	172.2	-170.4	168.9	72.9	-176.2	0.6	110.4	Y440 Y442 V459 E460 Y463	Y440-R451 HydrophobicContact CD1-CG 3.69Å; Y440-R451 HydrophobicContact CG-CG 3.83Å; Y442-R451 HydrophobicContact CD1-CB 4.08Å; Y442-R451 HydrophobicContact CD1-CG 4.14Å; Y442-R451 HydrophobicContact CE1-CB 3.82Å; Y442-R451 HydrophobicContact CE1-CG 3.62Å; Y442-R451 HydrophobicContact CE2-CG 4.38Å; Y442-R451 VanDerWaalsContact CZ-CD 3.41Å; Y442-R451 WeakPolarHBondContact OH-CD 3.48Å; R451-V459 WeakPolarHBondContact O-CA 3.5Å; R451-E460 IonicContact CZ-OE2 3.06Å; R451-E460 IonicContact NE-OE2 2.69Å; R451-E460 PolarHBondContact NE-OE2 2.86Å; R451-E460 IonicContact NH2-OE2 2.63Å; R451-E460 PolarHBondContact NH2-OE2 3.31Å; R451-E460 PolarHBondContact O-N 3.09Å; R451-Y463 HydrophobicContact CB-CD1 3.95Å; R451-Y463 HydrophobicContact CB-CD2 3.73Å; R451-Y463 HydrophobicContact CB-CE1 3.64Å; R451-Y463 HydrophobicContact CB-CE2 3.39Å; R451-Y463 HydrophobicContact CB-CG 3.99Å; R451-Y463 HydrophobicContact CG-CE2 4.28Å; R451-Y463 VanDerWaalsContact CZ-OH 3.24Å; R451-Y463 PolarHBondContact NE-OH 2.88Å; R451-Y463 PolarHBondContact NH1-OH 2.76Å
452	V	96.6	Very high	94.8	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	125.4	179.2	-172.1	0	0	0	0	109.4	F423 V426 V441 Q454 V459	F423-V452 HydrophobicContact CB-CG1 4.24Å; F423-V452 HydrophobicContact CB-CG2 4.39Å; F423-V452 HydrophobicContact CD1-CB 4.5Å; F423-V452 HydrophobicContact CD1-CG1 3.8Å; F423-V452 HydrophobicContact CG-CG1 4.38Å; V426-V452 HydrophobicContact CG1-CG2 3.4Å; V426-V452 VanDerWaalsContact CG1-CG2 3.4Å; V441-V452 HydrophobicContact CB-CB 4.19Å; V441-V452 PolarHBondContact N-O 2.96Å; V441-V452 VanDerWaalsContact N-O 3.11Å; V441-V452 PolarHBondContact O-N 2.78Å; V452-Q454 PolarHBondContact O-N 3.48Å; V452-V459 HydrophobicContact CG2-CG2 3.93Å
453	N	93.4	Very high	94.7	Very high	31 Å²	31	61.6 Å²	61.6	17%	0.166	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	119.7	175.3	-176.2	-44.4	0	0	0	109.7	Y440 K455 N456 Q457 V458 E460	Y440-N453 HydrophobicContact CD1-CB 4.27Å; Y440-N453 HydrophobicContact CE1-CB 3.99Å; N453-K455 PolarHBondContact O-N 2.81Å; N453-K455 WeakPolarHBondContact OD1-CB 3.41Å; N453-K455 PolarHBondContact OD1-N 3.41Å; N453-N456 WeakPolarHBondContact CB-OD1 3.39Å; N453-N456 PolarHBondContact O-OD1 2.9Å; N453-Q457 WeakPolarHBondContact O-CA 3.38Å; N453-Q457 PolarHBondContact O-N 2.82Å; N453-V458 PolarHBondContact N-O 3.12Å; N453-E460 HydrophobicContact CB-CG 4.36Å
454	Q	87.7	Confident	94.6	Very high	26 Å²	26	64.1 Å²	64.1	12%	0.121	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-18.6	-176.7	-73.2	-163.7	40.8	0	0	113.8	K389 G439 V441 V452 Q457	K389-Q454 WeakPolarHBondContact CE-O 3.1Å; K389-Q454 PolarHBondContact NZ-O 3.39Å; G439-Q454 VanDerWaalsContact O-CD 3.24Å; G439-Q454 VanDerWaalsContact O-CG 3.22Å; G439-Q454 WeakPolarHBondContact O-CG 3.39Å; G439-Q454 PolarHBondContact O-NE2 3.46Å; V441-Q454 HydrophobicContact CG2-CG 3.85Å; V452-Q454 PolarHBondContact O-N 3.48Å; Q454-Q457 PolarHBondContact O-NE2 2.69Å
455	K	87.4	Confident	94.5	Very high	188 Å²	188	66.3 Å²	66.3	82%	0.817	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-55.4	179.9	-64.4	-175	179.9	177.9	0	110.8	K389 N453	K389-K455 PolarHBondContact NZ-O 3.41Å; N453-K455 PolarHBondContact O-N 2.81Å; N453-K455 WeakPolarHBondContact OD1-CB 3.41Å; N453-K455 PolarHBondContact OD1-N 3.41Å
456	N	91.1	Very high	94.4	Very high	99 Å²	99	65.7 Å²	65.7	53%	0.529	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-8.1	-177.8	62.7	8.1	0	0	0	113.9	N453 V458	N453-N456 WeakPolarHBondContact CB-OD1 3.39Å; N453-N456 PolarHBondContact O-OD1 2.9Å; N456-V458 VanDerWaalsContact C-N 3.27Å; N456-V458 HydrophobicContact CB-CG2 4.25Å; N456-V458 WeakPolarHBondContact O-CG2 3.35Å; N456-V458 PolarHBondContact O-N 3.49Å; N456-V458 PolarHBondContact OD1-N 2.51Å; N456-V458 VanDerWaalsContact OD1-N 3.1Å
457	Q	92.9	Very high	94.3	Very high	27 Å²	27	63.7 Å²	63.7	13%	0.126	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	31.4	-178	-56.5	-70.6	-56.8	0	0	114.3	L422 N424 N453 Q454	L422-Q457 WeakPolarHBondContact O-CB 3.36Å; L422-Q457 WeakPolarHBondContact O-CG 3.38Å; L422-Q457 PolarHBondContact O-OE1 3.05Å; N424-Q457 PolarHBondContact N-O 3.2Å; N453-Q457 WeakPolarHBondContact O-CA 3.38Å; N453-Q457 PolarHBondContact O-N 2.82Å; Q454-Q457 PolarHBondContact O-NE2 2.69Å
458	V	95.4	Very high	94.1	Very high	59 Å²	59	61 Å²	61	36%	0.358	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	141.1	-179.5	-171.5	0	0	0	0	109.9	N424 N453 N456	N424-V458 HydrophobicContact CB-CG2 4.39Å; N453-V458 PolarHBondContact N-O 3.12Å; N456-V458 VanDerWaalsContact C-N 3.27Å; N456-V458 HydrophobicContact CB-CG2 4.25Å; N456-V458 WeakPolarHBondContact O-CG2 3.35Å; N456-V458 PolarHBondContact O-N 3.49Å; N456-V458 PolarHBondContact OD1-N 2.51Å; N456-V458 VanDerWaalsContact OD1-N 3.1Å
459	V	96.6	Very high	93.6	Very high	23 Å²	23	59.1 Å²	59.1	14%	0.139	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	134.5	168	166.7	0	0	0	0	110.1	N424 G425 V426 W450 R451 V452	N424-V459 PolarHBondContact O-N 2.98Å; G425-V459 VanDerWaalsContact C-CG2 3.43Å; G425-V459 WeakPolarHBondContact O-CG2 3.35Å; V426-V459 HydrophobicContact CB-CG2 4.48Å; V426-V459 HydrophobicContact CG1-CG2 3.6Å; W450-V459 HydrophobicContact CB-CG2 4.29Å; R451-V459 WeakPolarHBondContact O-CA 3.5Å; V452-V459 HydrophobicContact CG2-CG2 3.93Å
460	E	96.7	Very high	93.2	Very high	45 Å²	45	63 Å²	63	21%	0.21	31%	0.309	C	S	.	.			trans	-73.6	142.6	177.3	-68.4	-166.7	145.3	0	0	112.3	Y440 R451 N453 K462 Y463	Y440-E460 WeakPolarHBondContact CE1-OE1 3.48Å; R451-E460 IonicContact CZ-OE2 3.06Å; R451-E460 IonicContact NE-OE2 2.69Å; R451-E460 PolarHBondContact NE-OE2 2.86Å; R451-E460 IonicContact NH2-OE2 2.63Å; R451-E460 PolarHBondContact NH2-OE2 3.31Å; R451-E460 PolarHBondContact O-N 3.09Å; N453-E460 HydrophobicContact CB-CG 4.36Å; E460-K462 PolarHBondContact O-N 2.91Å; E460-Y463 HydrophobicContact CB-CD2 3.78Å; E460-Y463 HydrophobicContact CB-CE2 4.15Å; E460-Y463 WeakPolarHBondContact O-CB 3.35Å; E460-Y463 PolarHBondContact O-N 2.89Å
461	K	93.3	Very high	92.7	Very high	215 Å²	215	62.2 Å²	62.2	94%	0.935	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-23.3	-172.1	-65.5	-175.1	178.5	-177.1	0	115.3	Y463	K461-Y463 VanDerWaalsContact C-N 3.27Å; K461-Y463 PolarHBondContact O-N 3.49Å
462	K	93.6	Very high	92.1	Very high	173 Å²	173	59.6 Å²	59.6	75%	0.752	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	1.6	-178.8	-67.4	-173.6	176.7	-175.6	0	113.8	E460 Q465	E460-K462 PolarHBondContact O-N 2.91Å; K462-Q465 VanDerWaalsContact O-CG 3.31Å; K462-Q465 WeakPolarHBondContact O-CG 3.4Å
463	Y	95.6	Very high	91.4	Very high	29 Å²	29	64.1 Å²	64.1	11%	0.114	32%	0.317	C	S	.	.			trans	-111.6	149.7	-176	-70.4	-89.6	0	0	0	111.6	H449 R451 E460 K461 Q465	H449-Y463 AromaticContact CD2-CE1 3.77Å; H449-Y463 AromaticContact NE2-CE1 3.47Å; H449-Y463 WeakPolarHBondContact NE2-CE1 3.37Å; H449-Y463 WeakPolarHBondContact O-CD1 3.28Å; R451-Y463 HydrophobicContact CB-CD1 3.95Å; R451-Y463 HydrophobicContact CB-CD2 3.73Å; R451-Y463 HydrophobicContact CB-CE1 3.64Å; R451-Y463 HydrophobicContact CB-CE2 3.39Å; R451-Y463 HydrophobicContact CB-CG 3.99Å; R451-Y463 HydrophobicContact CG-CE2 4.28Å; R451-Y463 VanDerWaalsContact CZ-OH 3.24Å; R451-Y463 PolarHBondContact NE-OH 2.88Å; R451-Y463 PolarHBondContact NH1-OH 2.76Å; E460-Y463 HydrophobicContact CB-CD2 3.78Å; E460-Y463 HydrophobicContact CB-CE2 4.15Å; E460-Y463 WeakPolarHBondContact O-CB 3.35Å; E460-Y463 PolarHBondContact O-N 2.89Å; K461-Y463 VanDerWaalsContact C-N 3.27Å; K461-Y463 PolarHBondContact O-N 3.49Å; Y463-Q465 HydrophobicContact CD1-CB 4.02Å; Y463-Q465 HydrophobicContact CD1-CG 3.77Å; Y463-Q465 HydrophobicContact CE1-CB 4.03Å; Y463-Q465 HydrophobicContact CE1-CG 3.81Å; Y463-Q465 HydrophobicContact CG-CG 4.37Å; Y463-Q465 PolarHBondContact OH-OE1 2.84Å
464	P	96.4	Very high	90.8	Very high	52 Å²	52	63.6 Å²	63.6	34%	0.338	32%	0.316	S	S	.	.	S	Bend	cis	-73.8	157.1	10.3	26.2	-31.7	0	0	0	115.6	Q448 H449 W450	Q448-P464 HydrophobicContact CB-CB 3.92Å; Q448-P464 HydrophobicContact CG-CB 4.26Å; H449-P464 CarbonylContact O-C 3.37Å; H449-P464 WeakPolarHBondContact O-CA 3.4Å; W450-P464 HydrophobicContact CD2-CB 3.98Å; W450-P464 HydrophobicContact CE3-CB 4.43Å; W450-P464 HydrophobicContact CG-CB 4.47Å; W450-P464 HydrophobicContact CH2-CB 4.07Å; W450-P464 HydrophobicContact CH2-CG 4.49Å; W450-P464 HydrophobicContact CZ2-CB 3.65Å; W450-P464 HydrophobicContact CZ2-CG 3.77Å; W450-P464 HydrophobicContact CZ3-CB 4.43Å
465	Q	95.5	Very high	89.8	Confident	50 Å²	50	70 Å²	70	23%	0.234	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	159.7	172.3	-68.5	-172.2	-22.6	0	0	110.7	Q448 H449 K462 Y463 T467 N470	Q448-Q465 CarbonylContact C-O 3.55Å; Q448-Q465 WeakPolarHBondContact CA-O 3.31Å; H449-Q465 PolarHBondContact N-O 3.3Å; H449-Q465 PolarHBondContact ND1-O 2.64Å; H449-Q465 PolarHBondContact O-N 2.62Å; K462-Q465 VanDerWaalsContact O-CG 3.31Å; K462-Q465 WeakPolarHBondContact O-CG 3.4Å; Y463-Q465 HydrophobicContact CD1-CB 4.02Å; Y463-Q465 HydrophobicContact CD1-CG 3.77Å; Y463-Q465 HydrophobicContact CE1-CB 4.03Å; Y463-Q465 HydrophobicContact CE1-CG 3.81Å; Y463-Q465 HydrophobicContact CG-CG 4.37Å; Y463-Q465 PolarHBondContact OH-OE1 2.84Å; Q465-T467 PolarHBondContact O-N 3.27Å; Q465-N470 PolarHBondContact OE1-OD1 3.14Å
466	D	94.1	Very high	88	Confident	60 Å²	60	71.5 Å²	71.5	32%	0.321	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	130.5	177.3	-172.7	-86.7	0	0	0	111.4	H449 A468 S469 N470	H449-D466 PolarHBondContact CE1-O 2.94Å; H449-D466 VanDerWaalsContact CE1-O 3.3Å; H449-D466 PolarHBondContact ND1-O 3.31Å; D466-A468 WeakPolarHBondContact OD1-CA 3.36Å; D466-A468 WeakPolarHBondContact OD1-CB 3.39Å; D466-A468 PolarHBondContact OD1-N 2.86Å; D466-S469 PolarHBondContact OD1-N 3.35Å; D466-S469 PolarHBondContact OD1-OG 3.09Å; D466-N470 WeakPolarHBondContact O-CB 3.41Å; D466-N470 PolarHBondContact O-N 3.1Å; D466-N470 PolarHBondContact O-ND2 3.4Å
467	T	92.8	Very high	87.9	Confident	8 Å²	8	70.1 Å²	70.1	5%	0.049	36%	0.359	C	S	.	.	H	α-helix	trans	-75.5	-38.2	-179	-64.2	0	0	0	0	112.3	L294 F444 S447 Q448 H449 Q465 W471 M472	L294-T467 HydrophobicContact CD1-CG2 4.06Å; F444-T467 HydrophobicContact CD1-CG2 3.82Å; F444-T467 HydrophobicContact CE1-CG2 4.02Å; S447-T467 PolarHBondContact O-N 3.12Å; S447-T467 PolarHBondContact O-OG1 3.05Å; Q448-T467 PolarHBondContact O-OG1 3.5Å; H449-T467 PolarHBondContact N-OG1 3.01Å; H449-T467 PolarHBondContact ND1-OG1 3.02Å; Q465-T467 PolarHBondContact O-N 3.27Å; T467-W471 HydrophobicContact CG2-CB 4.23Å; T467-W471 HydrophobicContact CG2-CG 4.48Å; T467-W471 WeakPolarHBondContact O-CA 3.34Å; T467-W471 VanDerWaalsContact O-CB 3.28Å; T467-W471 WeakPolarHBondContact O-CB 3.48Å; T467-W471 PolarHBondContact O-N 2.98Å; T467-M472 PolarHBondContact O-N 3.09Å
468	A	88.7	Confident	87.6	Confident	22 Å²	22	72.4 Å²	72.4	18%	0.182	37%	0.372	C	S	.	.	I	π-helix	trans	-65.3	-48.6	-178.4	0	0	0	0	0	110.9	D466 N470 M472 Q473 C474	D466-A468 WeakPolarHBondContact OD1-CA 3.36Å; D466-A468 WeakPolarHBondContact OD1-CB 3.39Å; D466-A468 PolarHBondContact OD1-N 2.86Å; A468-N470 PolarHBondContact O-N 3.14Å; A468-M472 CarbonylContact O-C 3.52Å; A468-M472 WeakPolarHBondContact O-CA 3.29Å; A468-M472 VanDerWaalsContact O-CB 3.26Å; A468-M472 WeakPolarHBondContact O-CB 3.46Å; A468-M472 PolarHBondContact O-N 3.42Å; A468-Q473 PolarHBondContact O-N 3.36Å; A468-C474 HydrophobicContact CB-CB 4.42Å; A468-C474 PolarHBondContact O-N 3.41Å
469	S	85.8	Confident	87.2	Confident	44 Å²	44	73.1 Å²	73.1	31%	0.308	37%	0.373	S	S	.	.	I	π-helix	trans	-67.1	-38.9	-179.3	-38	0	0	0	0	112	D466	D466-S469 PolarHBondContact OD1-N 3.35Å; D466-S469 PolarHBondContact OD1-OG 3.09Å
470	N	88.1	Confident	86.6	Confident	83 Å²	83	76.1 Å²	76.1	44%	0.444	39%	0.386	S	S	.	.	I	π-helix	trans	-89.4	-32.2	-173.3	-72.8	-92.3	0	0	0	114.8	Q465 D466 A468	Q465-N470 PolarHBondContact OE1-OD1 3.14Å; D466-N470 WeakPolarHBondContact O-CB 3.41Å; D466-N470 PolarHBondContact O-N 3.1Å; D466-N470 PolarHBondContact O-ND2 3.4Å; A468-N470 PolarHBondContact O-N 3.14Å
471	W	87.4	Confident	86	Confident	14 Å²	14	78 Å²	78	5%	0.053	40%	0.397	C	S	.	.	I	π-helix	trans	-106.7	-32.3	-177	-75.9	72.9	0	0	0	113.4	T305 V316 V434 W436 Y442 F444 H449 T467	T305-W471 HydrophobicContact CG2-CE3 4.4Å; T305-W471 HydrophobicContact CG2-CZ3 3.82Å; V316-W471 HydrophobicContact CG2-CE3 4.2Å; V434-W471 HydrophobicContact CG1-CH2 3.94Å; V434-W471 HydrophobicContact CG1-CZ3 4.44Å; W436-W471 HydrophobicContact CB-CH2 4.31Å; W436-W471 AromaticContact CD2-CH2 3.51Å; W436-W471 HydrophobicContact CD2-CH2 3.51Å; W436-W471 HydrophobicContact CD2-CZ2 4.2Å; W436-W471 HydrophobicContact CD2-CZ3 4.12Å; W436-W471 AromaticContact CE2-CH2 3.81Å; W436-W471 AromaticContact CE2-CZ3 3.91Å; W436-W471 AromaticContact CE3-CH2 3.76Å; W436-W471 HydrophobicContact CE3-CH2 3.76Å; W436-W471 AromaticContact CE3-CZ2 3.96Å; W436-W471 HydrophobicContact CE3-CZ2 3.96Å; W436-W471 AromaticContact CG-CH2 3.78Å; W436-W471 HydrophobicContact CG-CH2 3.78Å; W436-W471 HydrophobicContact CG-CZ3 4.44Å; W436-W471 HydrophobicContact CH2-CH2 4.46Å; W436-W471 HydrophobicContact CZ2-CH2 4.29Å; W436-W471 HydrophobicContact CZ2-CZ3 4.18Å; W436-W471 HydrophobicContact CZ3-CH2 4.22Å; W436-W471 HydrophobicContact CZ3-CZ2 4.23Å; Y442-W471 AromaticContact CD1-CZ2 3.49Å; Y442-W471 HydrophobicContact CD1-CZ2 3.49Å; Y442-W471 VanDerWaalsContact CD1-CZ2 3.49Å; Y442-W471 HydrophobicContact CD2-CH2 4.12Å; Y442-W471 AromaticContact CD2-CZ2 3.77Å; Y442-W471 HydrophobicContact CD2-CZ2 3.77Å; Y442-W471 AromaticContact CE1-CZ2 3.79Å; Y442-W471 HydrophobicContact CE1-CZ2 3.79Å; Y442-W471 HydrophobicContact CE2-CZ2 4.09Å; Y442-W471 HydrophobicContact CG-CH2 4.12Å; Y442-W471 AromaticContact CG-CZ2 3.44Å; Y442-W471 HydrophobicContact CG-CZ2 3.44Å; Y442-W471 VanDerWaalsContact CG-CZ2 3.44Å; F444-W471 AromaticContact CE1-CD1 3.97Å; F444-W471 AromaticContact CE1-CD2 3.8Å; F444-W471 HydrophobicContact CE1-CD2 3.8Å; F444-W471 AromaticContact CE1-CE2 3.76Å; F444-W471 HydrophobicContact CE1-CE3 4.38Å; F444-W471 AromaticContact CE1-CG 3.99Å; F444-W471 HydrophobicContact CE1-CG 3.99Å; F444-W471 HydrophobicContact CE1-CZ2 4.33Å; F444-W471 AromaticContact CE1-NE1 3.82Å; F444-W471 AromaticContact CZ-CD2 3.8Å; F444-W471 HydrophobicContact CZ-CD2 3.8Å; F444-W471 AromaticContact CZ-CE2 3.59Å; F444-W471 HydrophobicContact CZ-CE3 4.05Å; F444-W471 HydrophobicContact CZ-CG 4.47Å; F444-W471 AromaticContact CZ-CH2 3.96Å; F444-W471 HydrophobicContact CZ-CH2 3.96Å; F444-W471 AromaticContact CZ-CZ2 3.71Å; F444-W471 HydrophobicContact CZ-CZ2 3.71Å; F444-W471 HydrophobicContact CZ-CZ3 4.12Å; H449-W471 AromaticContact CD2-CD1 3.98Å; H449-W471 AromaticContact CD2-NE1 3.4Å; H449-W471 PolarHBondContact CD2-NE1 3.41Å; H449-W471 AromaticContact CE1-CD1 3.81Å; H449-W471 AromaticContact CE1-NE1 3.93Å; H449-W471 AromaticContact CG-NE1 3.87Å; H449-W471 AromaticContact ND1-CD1 4Å; H449-W471 AromaticContact NE2-CD1 3.76Å; H449-W471 AromaticContact NE2-NE1 3.41Å; H449-W471 PolarHBondContact NE2-NE1 3.32Å; T467-W471 HydrophobicContact CG2-CB 4.23Å; T467-W471 HydrophobicContact CG2-CG 4.48Å; T467-W471 WeakPolarHBondContact O-CA 3.34Å; T467-W471 VanDerWaalsContact O-CB 3.28Å; T467-W471 WeakPolarHBondContact O-CB 3.48Å; T467-W471 PolarHBondContact O-N 2.98Å
472	M	84.8	Confident	85.5	Confident	4 Å²	4	68.9 Å²	68.9	2%	0.02	36%	0.361	C	S	.	.	I	π-helix	trans	-98.3	-12.3	-179.9	-53.1	-62.5	174.9	0	0	112.7	P289 L294 V307 W314 V316 F321 T467 A468 C474	P289-M472 HydrophobicContact CB-SD 4.21Å; P289-M472 WeakPolarHBondContact O-CG 3.38Å; L294-M472 HydrophobicContact CD2-CE 4.06Å; V307-M472 HydrophobicContact CB-CE 4.4Å; V307-M472 HydrophobicContact CG1-CE 3.93Å; V307-M472 HydrophobicContact CG2-CE 4.14Å; W314-M472 HydrophobicContact CZ2-CE 3.88Å; W314-M472 PolarHBondContact NE1-SD 2.91Å; W314-M472 VanDerWaalsContact NE1-SD 3.38Å; V316-M472 HydrophobicContact CG1-CE 4.24Å; V316-M472 HydrophobicContact CG1-SD 3.5Å; V316-M472 WeakPolarHBondContact CG1-SD 3.39Å; F321-M472 HydrophobicContact CD1-CB 4.01Å; F321-M472 VanDerWaalsContact CD1-O 3.29Å; F321-M472 WeakPolarHBondContact CD1-O 3.38Å; F321-M472 HydrophobicContact CD1-SD 4.47Å; F321-M472 HydrophobicContact CE1-CB 4.27Å; T467-M472 PolarHBondContact O-N 3.09Å; A468-M472 CarbonylContact O-C 3.52Å; A468-M472 WeakPolarHBondContact O-CA 3.29Å; A468-M472 VanDerWaalsContact O-CB 3.26Å; A468-M472 WeakPolarHBondContact O-CB 3.46Å; A468-M472 PolarHBondContact O-N 3.42Å; M472-C474 WeakPolarHBondContact CB-SG 3.25Å; M472-C474 PolarHBondContact O-N 3.01Å
473	Q	82.4	Confident	84.9	Confident	94 Å²	94	61.4 Å²	61.4	44%	0.439	33%	0.333	S	S	.	.			trans	54.5	41.5	-175.7	-57.4	-172.3	-20.1	0	0	112.5	S318 S319 A468	S318-Q473 PolarHBondContact O-NE2 3.05Å; S318-Q473 PolarHBondContact O-OE1 3.21Å; S319-Q473 VanDerWaalsContact C-OE1 3.32Å; A468-Q473 PolarHBondContact O-N 3.36Å
474	C	80.4	Confident	84.1	Confident	21 Å²	21	63.9 Å²	63.9	14%	0.142	35%	0.35	C	S	.	.			trans	-80.7	133.9	173.5	-53.2	0	0	0	0	109.1	C290 A468 M472	C290-C474 WeakPolarHBondContact CA-SG 3.43Å; C290-C474 HydrophobicContact CB-CB 3.83Å; C290-C474 WeakPolarHBondContact CB-SG 3.34Å; C290-C474 WeakPolarHBondContact SG-CB 3.43Å; C290-C474 CovalentContact SG-SG 2.03Å; C290-C474 PolarHBondContact SG-SG 3.04Å; A468-C474 HydrophobicContact CB-CB 4.42Å; A468-C474 PolarHBondContact O-N 3.41Å; M472-C474 WeakPolarHBondContact CB-SG 3.25Å; M472-C474 PolarHBondContact O-N 3.01Å
475	D	66.3	Low	83.1	Confident	161 Å²	161	64.9 Å²	64.9	86%	0.861	35%	0.351	S	S	*	.			trans	-70	144.6	166.7	-61.4	-42.2	0	0	0	108.9
476	D	51	Low	82	Confident	218 Å²	218	66.3 Å²	66.3	100%	1.166	36%	0.362	S	S	*	.			trans	-60	0	-179.7	-74.3	-28	0	0	0	113.5

Retrieved 476 of 476 residues in 669.7 ms (Link to these results)

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