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Folylpolyglutamate synthase

Catalyzes conversion of folates to polyglutamate derivatives allowing concentration of folate compounds in the cell and the intracellular retention of these cofactors, which are important substrates for most of the folate-dependent enzymes that are involved in one-carbon transfer reactions involved in purine, pyrimidine and amino acid synthesis.

AlphaFold DB , UniProt , Accession X2JDF2, Species DROME (Drosophila melanogaster, Fruit fly), Gene Fpgs1, Length 542 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.2	Very low	32.3	Very low	251 Å²	251	137.5 Å²	137.5	100%	1.236	78%	0.775	S	S	*	*				0	98.9	0	-82.9	176.7	174.3	0	0	108.7
2	S	25.8	Very low	32.3	Very low	112 Å²	112	136.7 Å²	136.7	78%	0.783	78%	0.775	S	S	*	*			trans	-178.4	78.4	158.7	176.5	0	0	0	0	105.4	Y4	S2-Y4 PolarHBondContact O-N 2.84Å
3	T	27.9	Very low	32.2	Very low	135 Å²	135	135.8 Å²	135.8	83%	0.828	77%	0.774	S	S	*	*			trans	-70.5	121.7	177.1	35.8	0	0	0	0	109.5	S5	T3-S5 PolarHBondContact O-N 3.38Å
4	Y	27.1	Very low	32.4	Very low	215 Å²	215	139.2 Å²	139.2	84%	0.843	78%	0.776	S	S	*	*			trans	-54.6	104.6	168.6	-81.9	-97.8	0	0	0	110.2	S2	S2-Y4 PolarHBondContact O-N 2.84Å
5	S	28.5	Very low	32.6	Very low	96 Å²	96	134.4 Å²	134.4	67%	0.671	75%	0.746	S	S	*	*			trans	-97	73.1	173.5	171.5	0	0	0	0	109.6	T3	T3-S5 PolarHBondContact O-N 3.38Å
6	T	34.9	Very low	32.6	Very low	119 Å²	119	136.3 Å²	136.3	73%	0.73	75%	0.748	S	S	*	*			trans	-129.5	15.2	175.7	18.6	0	0	0	0	114.4
7	V	33.9	Very low	32.7	Very low	114 Å²	114	139.5 Å²	139.5	69%	0.691	75%	0.746	S	S	*	*	S	Bend	trans	-105.8	-2.9	179.1	-173.7	0	0	0	0	112.7
8	T	34.3	Very low	33.2	Very low	108 Å²	108	136.3 Å²	136.3	66%	0.663	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.6	36.9	-170.3	14.7	0	0	0	0	115.3
9	N	34	Very low	33.5	Very low	163 Å²	163	135.8 Å²	135.8	87%	0.872	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.5	9.8	170.5	-99.1	-18.7	0	0	0	115.1	S11	N9-S11 VanDerWaalsContact C-N 3.25Å; N9-S11 PolarHBondContact O-N 3.22Å
10	L	38.1	Very low	33.6	Very low	110 Å²	110	134 Å²	134	58%	0.576	71%	0.708	S	S	*	*	S	Bend	trans	-87	12.1	175.3	-91.1	154.3	0	0	0	113.7	M15	L10-M15 HydrophobicContact CD2-CE 3.58Å
11	S	37	Very low	33.7	Very low	90 Å²	90	133.8 Å²	133.8	63%	0.629	71%	0.706	S	S	*	*	S	Bend	trans	-110.7	120.4	179	62.9	0	0	0	0	112.3	N9	N9-S11 VanDerWaalsContact C-N 3.25Å; N9-S11 PolarHBondContact O-N 3.22Å
12	T	32.1	Very low	33.7	Very low	127 Å²	127	123.9 Å²	123.9	78%	0.779	66%	0.664	S	S	*	*	S	Bend	trans	114.8	-13.7	132.3	-30.1	0	0	0	0	118.8
13	V	30.9	Very low	34.2	Very low	125 Å²	125	123.1 Å²	123.1	76%	0.758	67%	0.665	S	S	*	*	S	Bend	trans	-134	-11.3	-176.1	-174.2	0	0	0	0	117.4
14	K	35.7	Very low	35	Very low	184 Å²	184	120.1 Å²	120.1	80%	0.8	64%	0.64	S	S	*	*	S	Bend	trans	-123.2	2	-174.8	-88.5	-176.3	177	-179.5	0	118.1
15	M	35.2	Very low	35.8	Very low	67 Å²	67	119.3 Å²	119.3	33%	0.33	64%	0.636	S	S	.	*	G	3₁₀ helix	trans	-83.7	-13.6	170.1	-81.4	171.1	-168.7	0	0	113.8	L10 R17 I313	L10-M15 HydrophobicContact CD2-CE 3.58Å; M15-R17 PolarHBondContact O-N 3.43Å; M15-R17 VanDerWaalsContact O-N 3.15Å; M15-I313 HydrophobicContact CE-CB 4.49Å; M15-I313 HydrophobicContact CE-CG2 3Å; M15-I313 HydrophobicContact CG-CG2 4.23Å; M15-I313 HydrophobicContact SD-CG2 3.19Å; M15-I313 WeakPolarHBondContact SD-CG2 3.19Å
16	Q	32.5	Very low	36.8	Very low	165 Å²	165	120.6 Å²	120.6	77%	0.771	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-75.6	14.1	169.7	-74.7	179.8	-28.7	0	0	113.2	H20	Q16-H20 PolarHBondContact O-CD2 3.29Å; Q16-H20 PolarHBondContact O-NE2 3.33Å
17	R	34.4	Very low	37.9	Very low	190 Å²	190	118.9 Å²	118.9	72%	0.717	65%	0.651	S	S	*	*	G	3₁₀ helix	trans	-138.9	31.6	-179.2	-85.8	-162.2	171.7	173.7	-2.1	114.8	M15 H20	M15-R17 PolarHBondContact O-N 3.43Å; M15-R17 VanDerWaalsContact O-N 3.15Å; R17-H20 HydrophobicContact CB-CB 3.88Å; R17-H20 HydrophobicContact CG-CB 3.65Å; R17-H20 PolarHBondContact O-N 2.77Å
18	I	41.4	Very low	39.6	Very low	82 Å²	82	115 Å²	115	42%	0.421	63%	0.628	S	S	.	*	T	Hydrogen-bonded Turn	trans	-127.6	84.1	174	-51.1	172.4	0	0	0	105.5
19	Q	39.3	Very low	41.8	Very low	127 Å²	127	111.7 Å²	111.7	59%	0.593	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	cis	-111.9	106.8	30	-59.6	159.2	-31.1	0	0	109.9
20	H	35.1	Very low	44.2	Very low	100 Å²	100	103.9 Å²	103.9	46%	0.463	57%	0.567	S	S	.	*			trans	-123.7	120.8	170.7	-91.2	-103.3	0	0	0	109.3	Q16 R17 A22	Q16-H20 PolarHBondContact O-CD2 3.29Å; Q16-H20 PolarHBondContact O-NE2 3.33Å; R17-H20 HydrophobicContact CB-CB 3.88Å; R17-H20 HydrophobicContact CG-CB 3.65Å; R17-H20 PolarHBondContact O-N 2.77Å; H20-A22 VanDerWaalsContact C-N 3.31Å; H20-A22 PolarHBondContact O-N 3.32Å
21	L	36.6	Very low	46.4	Very low	130 Å²	130	99 Å²	99	68%	0.681	54%	0.543	S	S	*	.				31.1	66.9	128.7	-69.9	156	0	0	0	112.6	A23 E372	L21-A23 PolarHBondContact O-N 2.85Å; L21-E372 HydrophobicContact CD2-CG 4.4Å
22	A	33.5	Very low	48.5	Very low	42 Å²	42	99.4 Å²	99.4	35%	0.347	54%	0.535	S	S	.	.			trans	-59.7	119.9	143.1	0	0	0	0	0	103.7	H20 F24 P38	H20-A22 VanDerWaalsContact C-N 3.31Å; H20-A22 PolarHBondContact O-N 3.32Å; A22-F24 PolarHBondContact O-N 3.43Å; A22-P38 HydrophobicContact CB-CB 3.47Å; A22-P38 VanDerWaalsContact CB-CB 3.47Å
23	A	36.3	Very low	50.9	Low	97 Å²	97	95.9 Å²	95.9	80%	0.802	51%	0.507	S	S	*	.			trans	-59.5	98.9	170.2	0	0	0	0	0	106	L21 R25	L21-A23 PolarHBondContact O-N 2.85Å; A23-R25 PolarHBondContact O-N 3.44Å
24	F	45.2	Very low	53.4	Low	71 Å²	71	90 Å²	90	31%	0.311	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-56.6	134.7	166.5	-73.9	-78.1	0	0	0	106.3	A22 S26 V28 R33	A22-F24 PolarHBondContact O-N 3.43Å; F24-S26 PolarHBondContact O-N 3.25Å; F24-V28 HydrophobicContact CD1-CG1 4.23Å; F24-R33 HydrophobicContact CB-CG 4.14Å; F24-R33 HydrophobicContact CD1-CB 4.26Å; F24-R33 HydrophobicContact CD1-CG 3.62Å; F24-R33 HydrophobicContact CD2-CB 4.08Å; F24-R33 HydrophobicContact CD2-CG 3.65Å; F24-R33 HydrophobicContact CE1-CB 3.92Å; F24-R33 HydrophobicContact CE1-CG 3.8Å; F24-R33 HydrophobicContact CE2-CB 3.72Å; F24-R33 HydrophobicContact CE2-CG 3.82Å; F24-R33 HydrophobicContact CG-CB 4.33Å; F24-R33 HydrophobicContact CG-CG 3.53Å; F24-R33 HydrophobicContact CZ-CB 3.63Å; F24-R33 HydrophobicContact CZ-CG 3.89Å
25	R	42.7	Very low	55.8	Low	198 Å²	198	81.4 Å²	81.4	75%	0.747	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-53.1	140.6	176.3	-66.1	-177.8	-179	-175.2	1.3	108.4	A23 G27 V28	A23-R25 PolarHBondContact O-N 3.44Å; R25-G27 PolarHBondContact O-N 2.96Å; R25-V28 HydrophobicContact CB-CG2 4.02Å; R25-V28 WeakPolarHBondContact O-CG2 3.36Å; R25-V28 PolarHBondContact O-N 3.07Å
26	S	49.1	Very low	57.9	Low	123 Å²	123	80.9 Å²	80.9	86%	0.86	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	131.2	169.5	44.6	0	0	0	0	108.8	F24	F24-S26 PolarHBondContact O-N 3.25Å
27	G	59.1	Low	59.5	Low	84 Å²	84	75.1 Å²	75.1	87%	0.866	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	96	1	-178	0	0	0	0	0	117	R25	R25-G27 PolarHBondContact O-N 2.96Å
28	V	68.5	Low	60.7	Low	32 Å²	32	68.9 Å²	68.9	19%	0.194	39%	0.394	C	S	.	.			trans	-82	128	172	175.3	0	0	0	0	110.3	F24 R25 E32 R33	F24-V28 HydrophobicContact CD1-CG1 4.23Å; R25-V28 HydrophobicContact CB-CG2 4.02Å; R25-V28 WeakPolarHBondContact O-CG2 3.36Å; R25-V28 PolarHBondContact O-N 3.07Å; V28-E32 HydrophobicContact CG1-CB 3.64Å; V28-E32 WeakPolarHBondContact CG1-OE2 3.39Å; V28-R33 HydrophobicContact CG1-CG 3.96Å; V28-R33 PolarHBondContact O-NE 2.78Å; V28-R33 PolarHBondContact O-NH2 3.3Å
29	S	82.1	Confident	61.1	Low	38 Å²	38	73.7 Å²	73.7	27%	0.266	42%	0.415	S	S	.	.			trans	-61.6	151.6	179	65.3	0	0	0	0	112.3	A31 E32 R33 D531	S29-A31 VanDerWaalsContact C-N 3.26Å; S29-A31 PolarHBondContact O-N 2.99Å; S29-E32 PolarHBondContact O-N 3.45Å; S29-E32 VanDerWaalsContact O-N 3.16Å; S29-E32 WeakPolarHBondContact OG-CG 3.41Å; S29-E32 PolarHBondContact OG-N 2.83Å; S29-R33 WeakPolarHBondContact O-CG 3.35Å; S29-R33 PolarHBondContact O-N 2.86Å; S29-R33 VanDerWaalsContact O-N 3.15Å; S29-D531 WeakPolarHBondContact CB-OD1 3.34Å
30	L	82.9	Confident	61	Low	0 Å²	0	73.9 Å²	73.9	0%	0	42%	0.415	C	S	.	.	H	α-helix	trans	-58.6	-39.6	174.5	-176.8	61.7	0	0	0	111.2	E32 R33 V34 I371 W373 L378 I527 L530 D531	L30-E32 VanDerWaalsContact C-N 3.31Å; L30-E32 PolarHBondContact O-N 3.46Å; L30-R33 WeakPolarHBondContact O-CB 3.21Å; L30-R33 PolarHBondContact O-N 3.24Å; L30-R33 VanDerWaalsContact O-N 3.08Å; L30-V34 HydrophobicContact CD1-CG2 4.18Å; L30-V34 HydrophobicContact CG-CG2 4.11Å; L30-V34 WeakPolarHBondContact O-CG2 3.46Å; L30-V34 PolarHBondContact O-N 3.38Å; L30-I371 HydrophobicContact CD1-CD1 4.36Å; L30-I371 HydrophobicContact CD1-CG2 3.6Å; L30-W373 HydrophobicContact CB-CD2 4.29Å; L30-W373 HydrophobicContact CB-CE3 4.03Å; L30-W373 HydrophobicContact CB-CH2 3.77Å; L30-W373 HydrophobicContact CB-CZ2 4.01Å; L30-W373 HydrophobicContact CB-CZ3 3.77Å; L30-W373 HydrophobicContact CD1-CD2 4.08Å; L30-W373 HydrophobicContact CD1-CE3 3.78Å; L30-W373 HydrophobicContact CD1-CG 4.44Å; L30-W373 HydrophobicContact CD1-CZ3 4.28Å; L30-W373 HydrophobicContact CD2-CD2 4.24Å; L30-W373 HydrophobicContact CD2-CG 4.38Å; L30-W373 HydrophobicContact CG-CD2 4.44Å; L30-W373 HydrophobicContact CG-CE3 4.35Å; L30-L378 HydrophobicContact CD1-CD1 4.44Å; L30-L378 HydrophobicContact CD2-CD1 4.01Å; L30-I527 HydrophobicContact CB-CG2 4.23Å; L30-I527 HydrophobicContact CD2-CB 4.42Å; L30-I527 HydrophobicContact CD2-CG1 4.48Å; L30-I527 HydrophobicContact CD2-CG2 4.13Å; L30-I527 HydrophobicContact CG-CG2 3.93Å; L30-L530 HydrophobicContact CD2-CB 3.61Å; L30-L530 HydrophobicContact CD2-CD1 3.44Å; L30-L530 VanDerWaalsContact CD2-CD1 3.44Å; L30-L530 HydrophobicContact CD2-CG 4.17Å; L30-D531 WeakPolarHBondContact CA-OD1 3.18Å; L30-D531 VanDerWaalsContact CB-OD1 3.28Å; L30-D531 WeakPolarHBondContact CB-OD1 3.3Å; L30-D531 PolarHBondContact N-OD1 2.85Å
31	A	83.9	Confident	60.6	Low	8 Å²	8	74.7 Å²	74.7	7%	0.066	43%	0.433	C	S	.	.	H	α-helix	trans	-53	-46.4	173.4	0	0	0	0	0	112.6	S29 R33 V34 L35 L153 F154 I527 D531	S29-A31 VanDerWaalsContact C-N 3.26Å; S29-A31 PolarHBondContact O-N 2.99Å; A31-R33 VanDerWaalsContact C-N 3.34Å; A31-R33 PolarHBondContact O-N 3.01Å; A31-V34 PolarHBondContact O-N 3.38Å; A31-L35 WeakPolarHBondContact O-CB 3.4Å; A31-L35 WeakPolarHBondContact O-CG 3.48Å; A31-L35 PolarHBondContact O-N 3.46Å; A31-L153 HydrophobicContact CB-CD1 3.77Å; A31-F154 HydrophobicContact CB-CE2 4.49Å; A31-F154 HydrophobicContact CB-CZ 4.42Å; A31-I527 HydrophobicContact CB-CG2 4.09Å; A31-D531 VanDerWaalsContact CB-OD2 3.27Å; A31-D531 WeakPolarHBondContact CB-OD2 3.34Å; A31-D531 PolarHBondContact N-OD2 2.95Å
32	E	83.1	Confident	60.3	Low	97 Å²	97	74.8 Å²	74.8	45%	0.453	43%	0.432	S	S	.	.	H	α-helix	trans	-65.3	-37.1	177	-76.7	173.5	179.4	0	0	112.3	V28 S29 L30 N36	V28-E32 HydrophobicContact CG1-CB 3.64Å; V28-E32 WeakPolarHBondContact CG1-OE2 3.39Å; S29-E32 PolarHBondContact O-N 3.45Å; S29-E32 VanDerWaalsContact O-N 3.16Å; S29-E32 WeakPolarHBondContact OG-CG 3.41Å; S29-E32 PolarHBondContact OG-N 2.83Å; L30-E32 VanDerWaalsContact C-N 3.31Å; L30-E32 PolarHBondContact O-N 3.46Å; E32-N36 WeakPolarHBondContact O-CB 3.38Å; E32-N36 PolarHBondContact O-N 2.88Å; E32-N36 VanDerWaalsContact O-N 3.16Å; E32-N36 PolarHBondContact O-ND2 3.2Å
33	R	81.9	Confident	60.1	Low	53 Å²	53	81 Å²	81	20%	0.2	46%	0.46	C	S	.	.	H	α-helix	trans	-68.1	-35.4	176.9	-59.4	-175	-171.7	-166.6	-0	113.1	F24 V28 S29 L30 A31	F24-R33 HydrophobicContact CB-CG 4.14Å; F24-R33 HydrophobicContact CD1-CB 4.26Å; F24-R33 HydrophobicContact CD1-CG 3.62Å; F24-R33 HydrophobicContact CD2-CB 4.08Å; F24-R33 HydrophobicContact CD2-CG 3.65Å; F24-R33 HydrophobicContact CE1-CB 3.92Å; F24-R33 HydrophobicContact CE1-CG 3.8Å; F24-R33 HydrophobicContact CE2-CB 3.72Å; F24-R33 HydrophobicContact CE2-CG 3.82Å; F24-R33 HydrophobicContact CG-CB 4.33Å; F24-R33 HydrophobicContact CG-CG 3.53Å; F24-R33 HydrophobicContact CZ-CB 3.63Å; F24-R33 HydrophobicContact CZ-CG 3.89Å; V28-R33 HydrophobicContact CG1-CG 3.96Å; V28-R33 PolarHBondContact O-NE 2.78Å; V28-R33 PolarHBondContact O-NH2 3.3Å; S29-R33 WeakPolarHBondContact O-CG 3.35Å; S29-R33 PolarHBondContact O-N 2.86Å; S29-R33 VanDerWaalsContact O-N 3.15Å; L30-R33 WeakPolarHBondContact O-CB 3.21Å; L30-R33 PolarHBondContact O-N 3.24Å; L30-R33 VanDerWaalsContact O-N 3.08Å; A31-R33 VanDerWaalsContact C-N 3.34Å; A31-R33 PolarHBondContact O-N 3.01Å
34	V	84	Confident	59.7	Low	1 Å²	1	78.9 Å²	78.9	1%	0.006	45%	0.447	C	S	.	.	H	α-helix	trans	-72.3	-50.3	179.6	172.9	0	0	0	0	110.1	L30 A31 H363 P365 Q369 I371 L380 I527	L30-V34 HydrophobicContact CD1-CG2 4.18Å; L30-V34 HydrophobicContact CG-CG2 4.11Å; L30-V34 WeakPolarHBondContact O-CG2 3.46Å; L30-V34 PolarHBondContact O-N 3.38Å; A31-V34 PolarHBondContact O-N 3.38Å; V34-H363 PolarHBondContact O-CE1 3.43Å; V34-H363 PolarHBondContact O-NE2 3.49Å; V34-P365 HydrophobicContact CG1-CB 3.96Å; V34-P365 WeakPolarHBondContact O-CG 3.4Å; V34-Q369 PolarHBondContact O-NE2 2.58Å; V34-Q369 VanDerWaalsContact O-NE2 3.11Å; V34-I371 HydrophobicContact CB-CD1 4.03Å; V34-I371 HydrophobicContact CG1-CD1 4.5Å; V34-I371 HydrophobicContact CG2-CD1 3.19Å; V34-L380 HydrophobicContact CG2-CD1 4.34Å; V34-I527 HydrophobicContact CB-CD1 4.12Å; V34-I527 HydrophobicContact CG1-CD1 3.71Å; V34-I527 HydrophobicContact CG2-CD1 3.69Å; V34-I527 HydrophobicContact CG2-CG1 3.85Å; V34-I527 HydrophobicContact CG2-CG2 4.2Å
35	L	84.5	Confident	58.8	Low	4 Å²	4	83.8 Å²	83.8	2%	0.021	48%	0.476	C	S	.	.	H	α-helix	trans	-84.8	-34	-164.8	-66.3	177.2	0	0	0	113.8	A31 L153 F154 E157 L165 H363 P365	A31-L35 WeakPolarHBondContact O-CB 3.4Å; A31-L35 WeakPolarHBondContact O-CG 3.48Å; A31-L35 PolarHBondContact O-N 3.46Å; L35-L153 HydrophobicContact CD1-CB 4.13Å; L35-L153 HydrophobicContact CD1-CD1 3.76Å; L35-L153 HydrophobicContact CD2-CD1 4.24Å; L35-L153 HydrophobicContact CG-CD1 3.93Å; L35-F154 HydrophobicContact CD1-CD2 3.38Å; L35-F154 HydrophobicContact CD1-CE2 3.45Å; L35-F154 VanDerWaalsContact CD1-CE2 3.45Å; L35-E157 HydrophobicContact CD1-CG 4.5Å; L35-E157 WeakPolarHBondContact CD1-OE1 3.33Å; L35-E157 HydrophobicContact CD2-CG 4.34Å; L35-E157 WeakPolarHBondContact CD2-OE1 3.34Å; L35-L165 HydrophobicContact CD1-CD2 4.28Å; L35-H363 PolarHBondContact O-CD2 3.32Å; L35-H363 PolarHBondContact O-NE2 2.95Å; L35-P365 HydrophobicContact CD2-CB 4.38Å; L35-P365 HydrophobicContact CD2-CG 4.31Å
36	N	78.8	Confident	58.1	Low	56 Å²	56	82.5 Å²	82.5	30%	0.299	48%	0.478	S	S	.	.	S	Bend	trans	-95	139.5	-176.1	-60.9	-49.2	0	0	0	110.3	E32 H363	E32-N36 WeakPolarHBondContact O-CB 3.38Å; E32-N36 PolarHBondContact O-N 2.88Å; E32-N36 VanDerWaalsContact O-N 3.16Å; E32-N36 PolarHBondContact O-ND2 3.2Å; N36-H363 PolarHBondContact O-NE2 3.31Å
37	P	67.5	Low	57	Low	44 Å²	44	83.3 Å²	83.3	29%	0.286	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-60.1	146	169.4	27.2	-33.1	0	0	0	109.1	Q39 H363	P37-Q39 PolarHBondContact O-N 3.37Å; P37-H363 HydrophobicContact CB-CB 3.9Å
38	P	58.4	Low	55.5	Low	60 Å²	60	84.5 Å²	84.5	39%	0.39	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-57.9	126.5	171.5	18.7	-24.5	0	0	0	109.1	A22 Q40	A22-P38 HydrophobicContact CB-CB 3.47Å; A22-P38 VanDerWaalsContact CB-CB 3.47Å; P38-Q40 PolarHBondContact O-N 3.14Å
39	Q	50	Low	53.4	Low	183 Å²	183	86 Å²	86	86%	0.855	50%	0.495	S	S	*	.			trans	-57	109.2	-177.7	-74.6	-175.6	-16.9	0	0	110	P37	P37-Q39 PolarHBondContact O-N 3.37Å
40	Q	37.5	Very low	50.7	Low	130 Å²	130	91.9 Å²	91.9	61%	0.607	52%	0.523	S	S	*	.			trans	-80.3	127.6	165.3	-67.9	-174.7	2.8	0	0	107.7	P38 I42	P38-Q40 PolarHBondContact O-N 3.14Å; Q40-I42 HydrophobicContact CB-CG1 4.16Å; Q40-I42 PolarHBondContact O-N 2.93Å
41	S	26.4	Very low	48	Very low	118 Å²	118	99.5 Å²	99.5	83%	0.825	56%	0.563	S	S	*	*			trans	-68.4	82.9	170.1	59.2	0	0	0	0	109	N43	S41-N43 PolarHBondContact O-N 3.45Å
42	I	30.8	Very low	45.3	Very low	132 Å²	132	107.7 Å²	107.7	68%	0.677	60%	0.6	S	S	*	*			trans	-82.5	108.7	172	-59.3	177.3	0	0	0	106.6	Q40 G44	Q40-I42 HydrophobicContact CB-CG1 4.16Å; Q40-I42 PolarHBondContact O-N 2.93Å; I42-G44 VanDerWaalsContact C-N 3.26Å; I42-G44 PolarHBondContact O-N 3.39Å
43	N	29.1	Very low	42.9	Very low	173 Å²	173	108.7 Å²	108.7	93%	0.925	62%	0.616	S	S	*	*			trans	-64.7	89.3	166.5	-84.1	-16.7	0	0	0	108.6	S41	S41-N43 PolarHBondContact O-N 3.45Å
44	G	27.7	Very low	40.4	Very low	51 Å²	51	110.2 Å²	110.2	53%	0.526	63%	0.634	S	S	.	*			trans	-144.7	121.7	168.6	0	0	0	0	0	107.6	I42 H46	I42-G44 VanDerWaalsContact C-N 3.26Å; I42-G44 PolarHBondContact O-N 3.39Å; G44-H46 PolarHBondContact O-N 2.99Å
45	N	27.2	Very low	38.6	Very low	174 Å²	174	113.7 Å²	113.7	93%	0.93	66%	0.659	S	S	*	*			trans	-61.6	83.2	178.2	-79.2	-23.7	0	0	0	110.7
46	H	28.5	Very low	36.9	Very low	171 Å²	171	119 Å²	119	79%	0.792	69%	0.688	S	S	*	*			trans	-106	114.7	151.8	-85.8	-68.1	0	0	0	107.3	G44 S48	G44-H46 PolarHBondContact O-N 2.99Å; H46-S48 VanDerWaalsContact C-N 3.28Å; H46-S48 PolarHBondContact O-N 3.27Å
47	V	25.7	Very low	35.2	Very low	141 Å²	141	121.8 Å²	121.8	86%	0.855	70%	0.702	S	S	*	*			trans	-57.6	95	174.5	177.3	0	0	0	0	107.6	G49	V47-G49 PolarHBondContact O-N 3.18Å; V47-G49 VanDerWaalsContact O-N 3.14Å
48	S	27.3	Very low	34.7	Very low	108 Å²	108	124 Å²	124	76%	0.755	71%	0.712	S	S	*	*			trans	-72.1	100.4	163.2	-54.6	0	0	0	0	105.2	H46 N50	H46-S48 VanDerWaalsContact C-N 3.28Å; H46-S48 PolarHBondContact O-N 3.27Å; S48-N50 PolarHBondContact O-N 2.7Å
49	G	24.6	Very low	35.2	Very low	64 Å²	64	125.8 Å²	125.8	66%	0.66	72%	0.718	S	S	*	*			trans	-58	109.2	173.2	0	0	0	0	0	109.1	V47 I51	V47-G49 PolarHBondContact O-N 3.18Å; V47-G49 VanDerWaalsContact O-N 3.14Å; G49-I51 PolarHBondContact O-N 3.3Å; G49-I51 VanDerWaalsContact O-N 3.07Å
50	N	25.6	Very low	36.2	Very low	161 Å²	161	123.7 Å²	123.7	86%	0.861	71%	0.706	S	S	*	*			trans	-59.5	107.8	165.2	-96.5	-14.3	0	0	0	108.2	S48	S48-N50 PolarHBondContact O-N 2.7Å
51	I	26.6	Very low	38	Very low	161 Å²	161	122.7 Å²	122.7	83%	0.826	71%	0.705	S	S	*	*			trans	-109.2	98.3	158.2	-58.2	179.5	0	0	0	106.4	G49	G49-I51 PolarHBondContact O-N 3.3Å; G49-I51 VanDerWaalsContact O-N 3.07Å
52	Q	27.2	Very low	40.5	Very low	180 Å²	180	118.4 Å²	118.4	84%	0.841	67%	0.674	S	S	*	*			trans	-93.1	139.3	159.5	-115.1	176.8	-19.3	0	0	108.5
53	C	31	Very low	43.1	Very low	117 Å²	117	115.2 Å²	115.2	79%	0.791	66%	0.658	S	S	*	*	S	Bend	trans	96.3	87	168.3	-62.2	0	0	0	0	118.5
54	S	30.7	Very low	45.9	Very low	85 Å²	85	110 Å²	110	59%	0.594	64%	0.639	S	S	*	*			trans	167.3	31.5	134.9	51.8	0	0	0	0	112.2	D56 N58	S54-D56 PolarHBondContact O-N 3.46Å; S54-N58 PolarHBondContact OG-ND2 2.99Å
55	S	46.5	Very low	48.9	Very low	74 Å²	74	109.4 Å²	109.4	52%	0.517	63%	0.629	S	S	.	*	H	α-helix	trans	-79	-20.8	-149.7	52.2	0	0	0	0	117.8	N59	S55-N59 VanDerWaalsContact O-CB 3.28Å; S55-N59 WeakPolarHBondContact O-CB 3.46Å; S55-N59 PolarHBondContact O-N 3.35Å; S55-N59 VanDerWaalsContact O-N 3.15Å
56	D	48.2	Very low	52.1	Low	117 Å²	117	101.1 Å²	101.1	63%	0.626	59%	0.585	S	S	*	*	H	α-helix	trans	-84.7	-31.5	-166.3	-74.1	3.6	0	0	0	114.1	S54 K60	S54-D56 PolarHBondContact O-N 3.46Å; D56-K60 VanDerWaalsContact O-CG 3.3Å; D56-K60 WeakPolarHBondContact O-CG 3.27Å
57	N	43.6	Very low	55	Low	114 Å²	114	94.9 Å²	94.9	61%	0.61	56%	0.556	S	S	*	*	H	α-helix	trans	-80.7	-43.5	174.1	-77.7	-8.7	0	0	0	111	N59 K60 D61	N57-N59 PolarHBondContact O-N 2.89Å; N57-K60 PolarHBondContact O-N 2.97Å; N57-K60 VanDerWaalsContact O-N 3.09Å; N57-D61 PolarHBondContact O-N 3.32Å
58	N	56.6	Low	58.3	Low	91 Å²	91	93 Å²	93	49%	0.487	54%	0.54	S	S	.	.	H	α-helix	trans	-59.6	-43	177.8	-74.2	-12.7	0	0	0	112	S54 K60 D61 T62	S54-N58 PolarHBondContact OG-ND2 2.99Å; N58-K60 VanDerWaalsContact C-N 3.33Å; N58-K60 PolarHBondContact O-N 3.11Å; N58-D61 PolarHBondContact O-N 2.9Å; N58-T62 WeakPolarHBondContact O-CB 3.35Å; N58-T62 PolarHBondContact O-N 3.48Å; N58-T62 PolarHBondContact O-OG1 3.04Å
59	N	67.8	Low	61.5	Low	96 Å²	96	87.8 Å²	87.8	51%	0.513	50%	0.504	S	S	.	.	H	α-helix	trans	-66.2	-32.6	176.3	-88.5	-18.6	0	0	0	113.3	S55 N57 N63	S55-N59 VanDerWaalsContact O-CB 3.28Å; S55-N59 WeakPolarHBondContact O-CB 3.46Å; S55-N59 PolarHBondContact O-N 3.35Å; S55-N59 VanDerWaalsContact O-N 3.15Å; N57-N59 PolarHBondContact O-N 2.89Å; N59-N63 WeakPolarHBondContact O-CB 3.32Å; N59-N63 VanDerWaalsContact O-CG 3.23Å; N59-N63 PolarHBondContact O-N 2.64Å; N59-N63 VanDerWaalsContact O-N 3.08Å; N59-N63 PolarHBondContact O-ND2 3.42Å
60	K	71.8	Confident	64.8	Low	139 Å²	139	84.8 Å²	84.8	60%	0.604	47%	0.473	S	S	*	.	H	α-helix	trans	-70	-44.3	176.4	-78.2	176.6	-175.3	173.4	0	111.4	D56 N57 N58 N63 A64	D56-K60 VanDerWaalsContact O-CG 3.3Å; D56-K60 WeakPolarHBondContact O-CG 3.27Å; N57-K60 PolarHBondContact O-N 2.97Å; N57-K60 VanDerWaalsContact O-N 3.09Å; N58-K60 VanDerWaalsContact C-N 3.33Å; N58-K60 PolarHBondContact O-N 3.11Å; K60-N63 PolarHBondContact O-N 3.3Å; K60-A64 WeakPolarHBondContact O-CB 3.48Å; K60-A64 PolarHBondContact O-N 3.17Å
61	D	74.9	Confident	67.9	Low	110 Å²	110	83.3 Å²	83.3	59%	0.588	46%	0.459	S	S	*	.	H	α-helix	trans	-66.6	-43.4	179.5	-66.8	-23.9	0	0	0	111.2	N57 N58 N63 A64 A65	N57-D61 PolarHBondContact O-N 3.32Å; N58-D61 PolarHBondContact O-N 2.9Å; D61-N63 VanDerWaalsContact C-N 3.34Å; D61-N63 PolarHBondContact O-N 2.84Å; D61-A64 PolarHBondContact O-N 3.42Å; D61-A65 WeakPolarHBondContact O-CB 3.19Å; D61-A65 PolarHBondContact O-N 3.41Å
62	T	78.9	Confident	71.1	Confident	28 Å²	28	78.4 Å²	78.4	17%	0.172	43%	0.432	C	S	.	.	H	α-helix	trans	-55	-47.7	170.7	-74	0	0	0	0	111.8	N58 A65 F66 K168 D169	N58-T62 WeakPolarHBondContact O-CB 3.35Å; N58-T62 PolarHBondContact O-N 3.48Å; N58-T62 PolarHBondContact O-OG1 3.04Å; T62-A65 PolarHBondContact O-N 3.16Å; T62-F66 WeakPolarHBondContact O-CB 3.34Å; T62-F66 PolarHBondContact O-N 2.92Å; T62-K168 HydrophobicContact CG2-CB 4.03Å; T62-D169 VanDerWaalsContact CB-OD1 3.31Å; T62-D169 WeakPolarHBondContact CB-OD1 3.19Å; T62-D169 WeakPolarHBondContact CG2-OD1 3.09Å; T62-D169 PolarHBondContact OG1-OD1 2.95Å
63	N	84.8	Confident	74.2	Confident	64 Å²	64	69.8 Å²	69.8	34%	0.342	39%	0.392	S	S	.	.	H	α-helix	trans	-64.5	-42.2	178.7	-79.3	-38.4	0	0	0	111.8	N59 K60 D61 F66 E67 K168	N59-N63 WeakPolarHBondContact O-CB 3.32Å; N59-N63 VanDerWaalsContact O-CG 3.23Å; N59-N63 PolarHBondContact O-N 2.64Å; N59-N63 VanDerWaalsContact O-N 3.08Å; N59-N63 PolarHBondContact O-ND2 3.42Å; K60-N63 PolarHBondContact O-N 3.3Å; D61-N63 VanDerWaalsContact C-N 3.34Å; D61-N63 PolarHBondContact O-N 2.84Å; N63-F66 PolarHBondContact O-N 3.37Å; N63-E67 WeakPolarHBondContact O-CG 3.39Å; N63-E67 PolarHBondContact O-N 3.09Å; N63-K168 WeakPolarHBondContact OD1-CD 3.47Å; N63-K168 WeakPolarHBondContact OD1-CE 3.43Å; N63-K168 PolarHBondContact OD1-NZ 2.96Å
64	A	88	Confident	77	Confident	63 Å²	63	65 Å²	65	52%	0.521	36%	0.359	S	S	.	.	H	α-helix	trans	-64.1	-42.9	178.7	0	0	0	0	0	112.2	K60 D61 E67 L68	K60-A64 WeakPolarHBondContact O-CB 3.48Å; K60-A64 PolarHBondContact O-N 3.17Å; D61-A64 PolarHBondContact O-N 3.42Å; A64-E67 PolarHBondContact O-N 2.95Å; A64-L68 WeakPolarHBondContact O-CB 3.41Å; A64-L68 PolarHBondContact O-N 3.41Å
65	A	92.6	Very high	79.8	Confident	39 Å²	39	64.7 Å²	64.7	32%	0.322	36%	0.356	S	S	.	.	H	α-helix	trans	-65.2	-40.9	177.5	0	0	0	0	0	112	D61 T62 L68 A69 T172	D61-A65 WeakPolarHBondContact O-CB 3.19Å; D61-A65 PolarHBondContact O-N 3.41Å; T62-A65 PolarHBondContact O-N 3.16Å; A65-L68 PolarHBondContact O-N 2.7Å; A65-A69 PolarHBondContact O-N 3.11Å; A65-T172 HydrophobicContact CB-CG2 3.96Å
66	F	92.6	Very high	81.8	Confident	0 Å²	0	62 Å²	62	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-61.9	-48.3	173.3	177.2	-101.9	0	0	0	111.9	T62 N63 L68 A69 I70 N156 K168 F171 T172	T62-F66 WeakPolarHBondContact O-CB 3.34Å; T62-F66 PolarHBondContact O-N 2.92Å; N63-F66 PolarHBondContact O-N 3.37Å; F66-L68 VanDerWaalsContact C-N 3.25Å; F66-L68 PolarHBondContact O-N 3.31Å; F66-A69 WeakPolarHBondContact O-CB 3.44Å; F66-A69 PolarHBondContact O-N 2.7Å; F66-A69 VanDerWaalsContact O-N 3.11Å; F66-I70 HydrophobicContact CD1-CG1 4.2Å; F66-I70 HydrophobicContact CE1-CD1 4.41Å; F66-I70 HydrophobicContact CE1-CG1 3.8Å; F66-I70 HydrophobicContact CE2-CD1 4Å; F66-I70 HydrophobicContact CE2-CG1 4.15Å; F66-I70 HydrophobicContact CZ-CD1 3.87Å; F66-I70 HydrophobicContact CZ-CG1 3.78Å; F66-I70 WeakPolarHBondContact O-CG1 3.43Å; F66-I70 PolarHBondContact O-N 3.48Å; F66-N156 HydrophobicContact CE2-CB 4.07Å; F66-N156 HydrophobicContact CZ-CB 4.19Å; F66-K168 HydrophobicContact CB-CB 3.98Å; F66-K168 HydrophobicContact CB-CD 4.23Å; F66-K168 HydrophobicContact CB-CG 4.33Å; F66-K168 HydrophobicContact CD1-CD 3.77Å; F66-K168 HydrophobicContact CD1-CG 3.98Å; F66-K168 HydrophobicContact CD2-CB 3.83Å; F66-K168 HydrophobicContact CD2-CG 3.89Å; F66-K168 HydrophobicContact CE1-CD 4.23Å; F66-K168 HydrophobicContact CE1-CG 4.23Å; F66-K168 HydrophobicContact CE2-CB 4.46Å; F66-K168 HydrophobicContact CE2-CG 4.15Å; F66-K168 HydrophobicContact CG-CB 3.85Å; F66-K168 HydrophobicContact CG-CD 3.91Å; F66-K168 HydrophobicContact CG-CG 3.79Å; F66-K168 HydrophobicContact CZ-CG 4.3Å; F66-F171 HydrophobicContact CD2-CB 4.34Å; F66-F171 AromaticContact CD2-CD1 3.84Å; F66-F171 HydrophobicContact CD2-CD1 3.84Å; F66-F171 HydrophobicContact CD2-CG 4.31Å; F66-F171 HydrophobicContact CE2-CB 4.11Å; F66-F171 AromaticContact CE2-CD1 3.58Å; F66-F171 HydrophobicContact CE2-CD1 3.58Å; F66-F171 HydrophobicContact CE2-CE1 4.16Å; F66-F171 AromaticContact CE2-CG 3.83Å; F66-F171 HydrophobicContact CE2-CG 3.83Å; F66-T172 VanDerWaalsContact CA-OG1 3.28Å; F66-T172 WeakPolarHBondContact CA-OG1 3.48Å
67	E	91.2	Very high	83.4	Confident	41 Å²	41	58.6 Å²	58.6	19%	0.192	32%	0.317	C	S	.	.	H	α-helix	trans	-63.6	-32.2	178.4	-69.2	-58.5	168.9	0	0	112.5	N63 A64 I70 K71 P449	N63-E67 WeakPolarHBondContact O-CG 3.39Å; N63-E67 PolarHBondContact O-N 3.09Å; A64-E67 PolarHBondContact O-N 2.95Å; E67-I70 PolarHBondContact O-N 3.24Å; E67-K71 WeakPolarHBondContact O-CB 3.24Å; E67-K71 VanDerWaalsContact O-CG 3.29Å; E67-K71 WeakPolarHBondContact O-CG 3.49Å; E67-K71 PolarHBondContact O-N 3.43Å; E67-P449 HydrophobicContact CB-CG 4.3Å; E67-P449 VanDerWaalsContact OE2-CB 3.32Å; E67-P449 WeakPolarHBondContact OE2-CB 3.32Å; E67-P449 WeakPolarHBondContact OE2-CD 3.4Å; E67-P449 WeakPolarHBondContact OE2-CG 3.45Å
68	L	93.8	Very high	84.4	Confident	100 Å²	100	55.1 Å²	55.1	52%	0.524	30%	0.301	S	S	.	.	H	α-helix	trans	-65.1	-45.2	172	-174.3	68	0	0	0	111.5	A64 A65 F66 I70 K71 Q72 W176	A64-L68 WeakPolarHBondContact O-CB 3.41Å; A64-L68 PolarHBondContact O-N 3.41Å; A65-L68 PolarHBondContact O-N 2.7Å; F66-L68 VanDerWaalsContact C-N 3.25Å; F66-L68 PolarHBondContact O-N 3.31Å; L68-I70 VanDerWaalsContact C-N 3.32Å; L68-I70 PolarHBondContact O-N 3.28Å; L68-K71 PolarHBondContact O-N 3.36Å; L68-Q72 PolarHBondContact O-N 2.86Å; L68-W176 HydrophobicContact CD2-CZ2 3.99Å; L68-W176 HydrophobicContact CG-CZ2 3.95Å
69	A	95.3	Very high	84.4	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-59.1	-43.3	174.6	0	0	0	0	0	111.5	A65 F66 Q72 L73 T172 F175 W176	A65-A69 PolarHBondContact O-N 3.11Å; F66-A69 WeakPolarHBondContact O-CB 3.44Å; F66-A69 PolarHBondContact O-N 2.7Å; F66-A69 VanDerWaalsContact O-N 3.11Å; A69-Q72 PolarHBondContact O-N 2.97Å; A69-L73 WeakPolarHBondContact O-CB 3.35Å; A69-L73 PolarHBondContact O-N 3.27Å; A69-T172 HydrophobicContact CB-CG2 4.48Å; A69-F175 HydrophobicContact CB-CB 4.31Å; A69-F175 HydrophobicContact CB-CD1 3.47Å; A69-F175 VanDerWaalsContact CB-CD1 3.47Å; A69-F175 HydrophobicContact CB-CD2 4.49Å; A69-F175 HydrophobicContact CB-CE1 3.9Å; A69-F175 HydrophobicContact CB-CG 3.82Å; A69-F175 WeakPolarHBondContact O-CZ 3.36Å; A69-W176 HydrophobicContact CB-CZ2 4.47Å
70	I	93.1	Very high	83.4	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-65.8	-41.1	176.9	-60.4	-49.1	0	0	0	112	F66 E67 L68 Q72 L73 N74 T155 F171 P449	F66-I70 HydrophobicContact CD1-CG1 4.2Å; F66-I70 HydrophobicContact CE1-CD1 4.41Å; F66-I70 HydrophobicContact CE1-CG1 3.8Å; F66-I70 HydrophobicContact CE2-CD1 4Å; F66-I70 HydrophobicContact CE2-CG1 4.15Å; F66-I70 HydrophobicContact CZ-CD1 3.87Å; F66-I70 HydrophobicContact CZ-CG1 3.78Å; F66-I70 WeakPolarHBondContact O-CG1 3.43Å; F66-I70 PolarHBondContact O-N 3.48Å; E67-I70 PolarHBondContact O-N 3.24Å; L68-I70 VanDerWaalsContact C-N 3.32Å; L68-I70 PolarHBondContact O-N 3.28Å; I70-Q72 VanDerWaalsContact C-N 3.3Å; I70-Q72 PolarHBondContact O-N 3.39Å; I70-L73 HydrophobicContact CD1-CD2 4.48Å; I70-L73 PolarHBondContact O-N 3.15Å; I70-N74 WeakPolarHBondContact O-CB 3.47Å; I70-N74 VanDerWaalsContact O-CG 3.29Å; I70-N74 PolarHBondContact O-N 3.06Å; I70-N74 PolarHBondContact O-ND2 3.11Å; I70-T155 HydrophobicContact CD1-CG2 4.05Å; I70-F171 HydrophobicContact CD1-CD1 4.4Å; I70-F171 HydrophobicContact CD1-CE1 3.57Å; I70-F171 HydrophobicContact CD1-CZ 3.8Å; I70-P449 HydrophobicContact CB-CB 4.04Å; I70-P449 HydrophobicContact CG2-CB 3.61Å
71	K	90.9	Very high	82	Confident	130 Å²	130	49.3 Å²	49.3	57%	0.565	28%	0.283	S	S	*	.	H	α-helix	trans	-58.7	-44.4	173.7	-76	173.7	-175	178.2	0	111.4	E67 L68 N74 S75 P449	E67-K71 WeakPolarHBondContact O-CB 3.24Å; E67-K71 VanDerWaalsContact O-CG 3.29Å; E67-K71 WeakPolarHBondContact O-CG 3.49Å; E67-K71 PolarHBondContact O-N 3.43Å; L68-K71 PolarHBondContact O-N 3.36Å; K71-N74 PolarHBondContact O-N 3Å; K71-S75 PolarHBondContact O-N 3.03Å; K71-P449 HydrophobicContact CD-CG 4.27Å; K71-P449 HydrophobicContact CG-CB 3.91Å; K71-P449 HydrophobicContact CG-CG 3.68Å
72	Q	94	Very high	80.9	Confident	58 Å²	58	46 Å²	46	27%	0.271	27%	0.271	S	S	.	.	H	α-helix	trans	-67.1	-39.9	178.2	-171.8	57.7	66.5	0	0	112	L68 A69 I70 N74 S75 F175 W176 Y179	L68-Q72 PolarHBondContact O-N 2.86Å; A69-Q72 PolarHBondContact O-N 2.97Å; I70-Q72 VanDerWaalsContact C-N 3.3Å; I70-Q72 PolarHBondContact O-N 3.39Å; Q72-N74 VanDerWaalsContact C-N 3.32Å; Q72-N74 PolarHBondContact O-N 2.8Å; Q72-S75 PolarHBondContact NE2-OG 3.23Å; Q72-S75 WeakPolarHBondContact O-CB 3.37Å; Q72-S75 PolarHBondContact O-N 2.84Å; Q72-S75 PolarHBondContact O-OG 2.95Å; Q72-F175 HydrophobicContact CB-CE1 4.08Å; Q72-F175 HydrophobicContact CB-CZ 3.9Å; Q72-F175 HydrophobicContact CG-CE1 4.22Å; Q72-F175 HydrophobicContact CG-CZ 4.01Å; Q72-W176 HydrophobicContact CB-CH2 4.02Å; Q72-W176 HydrophobicContact CG-CH2 4.05Å; Q72-W176 HydrophobicContact CG-CZ3 4.24Å; Q72-Y179 VanDerWaalsContact CD-OH 3.3Å; Q72-Y179 HydrophobicContact CG-CD1 4.39Å; Q72-Y179 HydrophobicContact CG-CD2 4.09Å; Q72-Y179 HydrophobicContact CG-CE1 3.92Å; Q72-Y179 HydrophobicContact CG-CE2 3.57Å; Q72-Y179 HydrophobicContact CG-CG 4.49Å; Q72-Y179 VanDerWaalsContact CG-CZ 3.49Å; Q72-Y179 PolarHBondContact NE2-OH 3.35Å
73	L	92.9	Very high	79.6	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60.8	-41.4	173.6	179	56.9	0	0	0	111.7	A69 I70 S75 L76 T155 F171 F175 Y195 F198 L199	A69-L73 WeakPolarHBondContact O-CB 3.35Å; A69-L73 PolarHBondContact O-N 3.27Å; I70-L73 HydrophobicContact CD1-CD2 4.48Å; I70-L73 PolarHBondContact O-N 3.15Å; L73-S75 PolarHBondContact O-N 3.32Å; L73-L76 HydrophobicContact CD1-CD1 4.17Å; L73-L76 VanDerWaalsContact O-CB 3.28Å; L73-L76 WeakPolarHBondContact O-CB 2.91Å; L73-L76 PolarHBondContact O-N 3.42Å; L73-T155 HydrophobicContact CD2-CG2 3.7Å; L73-F171 HydrophobicContact CD2-CZ 4.23Å; L73-F175 HydrophobicContact CB-CE2 3.66Å; L73-F175 HydrophobicContact CB-CZ 4.18Å; L73-F175 HydrophobicContact CD1-CE2 4.22Å; L73-F175 HydrophobicContact CG-CE2 4.37Å; L73-Y195 HydrophobicContact CD1-CD2 3.95Å; L73-Y195 HydrophobicContact CD1-CE2 4.16Å; L73-Y195 HydrophobicContact CD2-CD2 4.44Å; L73-Y195 HydrophobicContact CD2-CE2 3.81Å; L73-Y195 HydrophobicContact CG-CD2 3.74Å; L73-Y195 HydrophobicContact CG-CE2 3.5Å; L73-Y195 VanDerWaalsContact CG-CE2 3.5Å; L73-Y195 WeakPolarHBondContact O-CD2 3.31Å; L73-F198 HydrophobicContact CD1-CB 4.36Å; L73-F198 HydrophobicContact CD1-CD1 3.51Å; L73-F198 HydrophobicContact CD1-CE1 4.13Å; L73-F198 HydrophobicContact CD1-CG 4.11Å; L73-L199 HydrophobicContact CD1-CG 4.35Å; L73-L199 HydrophobicContact CD2-CD1 4.31Å; L73-L199 HydrophobicContact CD2-CD2 3.76Å; L73-L199 HydrophobicContact CD2-CG 4.06Å
74	N	89.6	Confident	78	Confident	17 Å²	17	49.3 Å²	49.3	9%	0.091	28%	0.278	C	S	.	.	H	α-helix	trans	-63.9	-23.3	178.3	-75.7	-21.3	0	0	0	113.1	I70 K71 Q72 L76 Q77 Y195 P449 V454	I70-N74 WeakPolarHBondContact O-CB 3.47Å; I70-N74 VanDerWaalsContact O-CG 3.29Å; I70-N74 PolarHBondContact O-N 3.06Å; I70-N74 PolarHBondContact O-ND2 3.11Å; K71-N74 PolarHBondContact O-N 3Å; Q72-N74 VanDerWaalsContact C-N 3.32Å; Q72-N74 PolarHBondContact O-N 2.8Å; N74-L76 PolarHBondContact O-N 3.49Å; N74-Q77 WeakPolarHBondContact O-CB 3.43Å; N74-Q77 WeakPolarHBondContact O-CG 3.44Å; N74-Q77 PolarHBondContact O-N 3.06Å; N74-Q77 VanDerWaalsContact O-N 3.1Å; N74-Q77 PolarHBondContact OD1-NE2 3Å; N74-Y195 WeakPolarHBondContact OD1-CE2 3.22Å; N74-P449 PolarHBondContact ND2-O 2.87Å; N74-V454 HydrophobicContact CB-CG2 4.47Å
75	S	88.4	Confident	76	Confident	77 Å²	77	51 Å²	51	54%	0.538	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-16.5	172.1	91.7	0	0	0	0	112.8	K71 Q72 L73 Q77	K71-S75 PolarHBondContact O-N 3.03Å; Q72-S75 PolarHBondContact NE2-OG 3.23Å; Q72-S75 WeakPolarHBondContact O-CB 3.37Å; Q72-S75 PolarHBondContact O-N 2.84Å; Q72-S75 PolarHBondContact O-OG 2.95Å; L73-S75 PolarHBondContact O-N 3.32Å; S75-Q77 VanDerWaalsContact C-N 3.32Å
76	L	88.5	Confident	74	Confident	19 Å²	19	51.8 Å²	51.8	10%	0.099	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	1.3	175.5	-53.9	179.1	0	0	0	112.6	L73 N74 S78 Y179 M192 Y195 F198	L73-L76 HydrophobicContact CD1-CD1 4.17Å; L73-L76 VanDerWaalsContact O-CB 3.28Å; L73-L76 WeakPolarHBondContact O-CB 2.91Å; L73-L76 PolarHBondContact O-N 3.42Å; N74-L76 PolarHBondContact O-N 3.49Å; L76-S78 PolarHBondContact O-N 3.2Å; L76-Y179 HydrophobicContact CD1-CE2 4.36Å; L76-Y179 HydrophobicContact CD2-CE2 4.46Å; L76-M192 HydrophobicContact CD2-CB 3.98Å; L76-M192 HydrophobicContact CD2-CE 4.41Å; L76-Y195 PolarHBondContact O-N 3.42Å; L76-F198 HydrophobicContact CD1-CB 3.86Å; L76-F198 HydrophobicContact CD1-CD1 4.43Å; L76-F198 HydrophobicContact CD1-CD2 3.65Å; L76-F198 HydrophobicContact CD1-CE2 4.35Å; L76-F198 HydrophobicContact CD1-CG 3.7Å
77	Q	81.3	Confident	71.8	Confident	45 Å²	45	56.3 Å²	56.3	21%	0.21	30%	0.304	C	S	.	.			trans	-72.3	113.7	174.7	-67.7	-171	22.2	0	0	110.1	N74 S75 Y195 V454	N74-Q77 WeakPolarHBondContact O-CB 3.43Å; N74-Q77 WeakPolarHBondContact O-CG 3.44Å; N74-Q77 PolarHBondContact O-N 3.06Å; N74-Q77 VanDerWaalsContact O-N 3.1Å; N74-Q77 PolarHBondContact OD1-NE2 3Å; S75-Q77 VanDerWaalsContact C-N 3.32Å; Q77-Y195 HydrophobicContact CG-CD2 3.5Å; Q77-Y195 VanDerWaalsContact CG-CD2 3.5Å; Q77-Y195 HydrophobicContact CG-CE2 4.17Å; Q77-Y195 HydrophobicContact CG-CG 3.89Å; Q77-V454 HydrophobicContact CB-CB 4.19Å; Q77-V454 HydrophobicContact CB-CG2 4.3Å; Q77-V454 HydrophobicContact CG-CG2 4.39Å; Q77-V454 VanDerWaalsContact OE1-CG2 3.29Å
78	S	65.9	Low	69.6	Low	40 Å²	40	58.6 Å²	58.6	28%	0.28	32%	0.324	S	S	.	.			trans	-73.8	141.1	169.3	-54.5	0	0	0	0	110.8	L76	L76-S78 PolarHBondContact O-N 3.2Å
79	N	57	Low	67.4	Low	102 Å²	102	58.1 Å²	58.1	55%	0.545	32%	0.322	S	S	.	.			trans	-72.7	162	168.6	59.6	20.1	0	0	0	111.1	A81 A82 I83	N79-A81 PolarHBondContact O-N 3.39Å; N79-A81 VanDerWaalsContact O-N 3.09Å; N79-A82 PolarHBondContact O-N 3.01Å; N79-A82 VanDerWaalsContact OD1-CB 3.31Å; N79-A82 WeakPolarHBondContact OD1-CB 3.37Å; N79-A82 PolarHBondContact OD1-N 3.28Å; N79-A82 VanDerWaalsContact OD1-N 3.14Å; N79-I83 PolarHBondContact O-N 2.96Å
80	D	45.3	Very low	65.1	Low	54 Å²	54	64.2 Å²	64.2	29%	0.289	37%	0.365	S	S	.	.	H	α-helix	trans	-59.9	-24.7	-173.3	-70.6	-34.3	0	0	0	113.7	R84 R455	D80-R84 WeakPolarHBondContact O-CB 3.28Å; D80-R84 VanDerWaalsContact O-CG 3.25Å; D80-R84 WeakPolarHBondContact O-CG 3.4Å; D80-R84 PolarHBondContact O-N 3.1Å; D80-R84 VanDerWaalsContact O-N 3.15Å; D80-R84 PolarHBondContact O-NE 3.25Å; D80-R455 WeakPolarHBondContact OD1-CD 3.49Å; D80-R455 IonicContact OD1-CZ 2.67Å; D80-R455 IonicContact OD1-NE 2.61Å; D80-R455 IonicContact OD1-NH1 3.06Å; D80-R455 PolarHBondContact OD1-NH1 2.74Å
81	A	43.7	Very low	62.9	Low	48 Å²	48	75.2 Å²	75.2	40%	0.397	41%	0.406	S	S	.	.	H	α-helix	trans	-71.5	-44.8	174.5	0	0	0	0	0	111.8	N79 I83 R84 N85	N79-A81 PolarHBondContact O-N 3.39Å; N79-A81 VanDerWaalsContact O-N 3.09Å; A81-I83 PolarHBondContact O-N 3.41Å; A81-R84 PolarHBondContact O-N 3.49Å; A81-N85 VanDerWaalsContact O-CB 3.23Å; A81-N85 WeakPolarHBondContact O-CB 3.46Å; A81-N85 PolarHBondContact O-N 3.29Å; A81-N85 PolarHBondContact O-ND2 3.45Å
82	A	51.4	Low	61.6	Low	40 Å²	40	72.1 Å²	72.1	33%	0.331	40%	0.398	S	S	.	.	H	α-helix	trans	-65	-39	178.5	0	0	0	0	0	112.4	N79 S86	N79-A82 PolarHBondContact O-N 3.01Å; N79-A82 VanDerWaalsContact OD1-CB 3.31Å; N79-A82 WeakPolarHBondContact OD1-CB 3.37Å; N79-A82 PolarHBondContact OD1-N 3.28Å; N79-A82 VanDerWaalsContact OD1-N 3.14Å; A82-S86 WeakPolarHBondContact O-CB 3.5Å; A82-S86 PolarHBondContact O-N 3.39Å; A82-S86 PolarHBondContact O-OG 3.18Å
83	I	52	Low	61	Low	38 Å²	38	73.6 Å²	73.6	20%	0.195	41%	0.408	C	S	.	.	H	α-helix	trans	-68.8	-43.1	178	-65.1	177.1	0	0	0	111.7	N79 A81 S86 M87	N79-I83 PolarHBondContact O-N 2.96Å; A81-I83 PolarHBondContact O-N 3.41Å; I83-S86 PolarHBondContact O-OG 3.42Å; I83-M87 HydrophobicContact CG2-CE 3.37Å; I83-M87 PolarHBondContact O-N 2.91Å
84	R	50.9	Low	60.5	Low	124 Å²	124	75 Å²	75	47%	0.468	42%	0.417	S	S	.	.	H	α-helix	trans	-64.2	-45.3	175.1	-76.7	-176.7	-71.1	-171.9	3.1	111.1	D80 A81 S86 M87 S88 E248 L249	D80-R84 WeakPolarHBondContact O-CB 3.28Å; D80-R84 VanDerWaalsContact O-CG 3.25Å; D80-R84 WeakPolarHBondContact O-CG 3.4Å; D80-R84 PolarHBondContact O-N 3.1Å; D80-R84 VanDerWaalsContact O-N 3.15Å; D80-R84 PolarHBondContact O-NE 3.25Å; A81-R84 PolarHBondContact O-N 3.49Å; R84-S86 PolarHBondContact O-N 3.22Å; R84-M87 PolarHBondContact O-N 2.88Å; R84-S88 WeakPolarHBondContact O-CB 3.09Å; R84-S88 PolarHBondContact O-N 2.91Å; R84-S88 PolarHBondContact O-OG 3.1Å; R84-E248 IonicContact NH1-OE2 3.65Å; R84-L249 HydrophobicContact CG-CD2 4.5Å
85	N	44.7	Very low	60.6	Low	100 Å²	100	76.7 Å²	76.7	54%	0.535	42%	0.423	S	S	.	.	H	α-helix	trans	-66.2	-35.3	179.5	-72.2	-13.7	0	0	0	113.2	A81 M87 S88 N89	A81-N85 VanDerWaalsContact O-CB 3.23Å; A81-N85 WeakPolarHBondContact O-CB 3.46Å; A81-N85 PolarHBondContact O-N 3.29Å; A81-N85 PolarHBondContact O-ND2 3.45Å; N85-M87 VanDerWaalsContact C-N 3.34Å; N85-S88 PolarHBondContact O-OG 2.99Å; N85-N89 PolarHBondContact O-N 3.17Å; N85-N89 PolarHBondContact O-ND2 3.36Å
86	S	51.3	Low	60.7	Low	55 Å²	55	75.4 Å²	75.4	39%	0.385	42%	0.417	S	S	.	.	H	α-helix	trans	-69.9	-31.3	176.2	62	0	0	0	0	112.6	A82 I83 R84	A82-S86 WeakPolarHBondContact O-CB 3.5Å; A82-S86 PolarHBondContact O-N 3.39Å; A82-S86 PolarHBondContact O-OG 3.18Å; I83-S86 PolarHBondContact O-OG 3.42Å; R84-S86 PolarHBondContact O-N 3.22Å
87	M	46.2	Very low	60.9	Low	95 Å²	95	76.3 Å²	76.3	47%	0.468	42%	0.422	S	S	.	.	H	α-helix	trans	-91.4	-26.8	-179	-71.1	-162.9	-81.8	0	0	114.1	I83 R84 N85 N89 L249	I83-M87 HydrophobicContact CG2-CE 3.37Å; I83-M87 PolarHBondContact O-N 2.91Å; R84-M87 PolarHBondContact O-N 2.88Å; N85-M87 VanDerWaalsContact C-N 3.34Å; M87-N89 PolarHBondContact O-N 3.34Å; M87-L249 HydrophobicContact CE-CD1 3.81Å; M87-L249 HydrophobicContact CE-CD2 3.32Å; M87-L249 HydrophobicContact CE-CG 4.05Å; M87-L249 HydrophobicContact SD-CD2 4.44Å
88	S	46	Very low	61.5	Low	88 Å²	88	74.1 Å²	74.1	62%	0.615	41%	0.412	S	S	*	.	H	α-helix	trans	-73.8	-17.6	171.2	65.2	0	0	0	0	112.5	R84 N85 S90	R84-S88 WeakPolarHBondContact O-CB 3.09Å; R84-S88 PolarHBondContact O-N 2.91Å; R84-S88 PolarHBondContact O-OG 3.1Å; N85-S88 PolarHBondContact O-OG 2.99Å; S88-S90 PolarHBondContact O-N 3.16Å
89	N	47.8	Very low	63	Low	91 Å²	91	74.3 Å²	74.3	49%	0.487	41%	0.409	S	S	.	.			trans	-76.5	100.9	170.7	-94.8	-29.2	0	0	0	109.5	N85 M87 R91 V92	N85-N89 PolarHBondContact O-N 3.17Å; N85-N89 PolarHBondContact O-ND2 3.36Å; M87-N89 PolarHBondContact O-N 3.34Å; N89-R91 PolarHBondContact O-N 2.87Å; N89-V92 HydrophobicContact CB-CG2 4.07Å; N89-V92 PolarHBondContact O-N 2.91Å; N89-V92 VanDerWaalsContact O-N 3.12Å
90	S	46.5	Very low	64.9	Low	128 Å²	128	72.5 Å²	72.5	90%	0.895	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-0.7	170.4	56.8	0	0	0	0	114.9	S88	S88-S90 PolarHBondContact O-N 3.16Å
91	R	47	Very low	67.4	Low	231 Å²	231	70.7 Å²	70.7	87%	0.872	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	-11.7	178.5	-67.8	-176.4	176.8	-179.4	-1	114.5	N89	N89-R91 PolarHBondContact O-N 2.87Å
92	V	63.3	Low	69.9	Low	65 Å²	65	68.4 Å²	68.4	39%	0.394	37%	0.367	S	S	.	.			trans	-97.8	97.8	-176.5	-175.5	0	0	0	0	110.4	N89 T94	N89-V92 HydrophobicContact CB-CG2 4.07Å; N89-V92 PolarHBondContact O-N 2.91Å; N89-V92 VanDerWaalsContact O-N 3.12Å; V92-T94 PolarHBondContact O-N 3.25Å
93	D	80.4	Confident	72.1	Confident	88 Å²	88	71.6 Å²	71.6	47%	0.471	38%	0.375	S	S	.	.			trans	-72.3	97.6	168.6	-176	-16	0	0	0	109.5	K95 A96 D97	D93-K95 PolarHBondContact O-N 2.73Å; D93-K95 WeakPolarHBondContact OD1-CB 3.47Å; D93-K95 PolarHBondContact OD1-N 3.1Å; D93-A96 HydrophobicContact CB-CB 3.82Å; D93-A96 VanDerWaalsContact CG-CB 3.47Å; D93-A96 PolarHBondContact O-N 2.97Å; D93-A96 PolarHBondContact OD1-N 2.61Å; D93-D97 VanDerWaalsContact O-CB 3.31Å; D93-D97 WeakPolarHBondContact O-CB 3.23Å; D93-D97 PolarHBondContact O-N 3.41Å
94	T	84.3	Confident	74.3	Confident	30 Å²	30	71.1 Å²	71.1	18%	0.184	37%	0.371	C	S	.	.	H	α-helix	trans	-62.1	-28.5	-178.1	-62.1	0	0	0	0	112.4	V92 T98 H225	V92-T94 PolarHBondContact O-N 3.25Å; T94-T98 WeakPolarHBondContact O-CB 3.33Å; T94-T98 PolarHBondContact O-N 2.98Å; T94-T98 PolarHBondContact O-OG1 3Å; T94-H225 WeakPolarHBondContact CB-O 3.49Å; T94-H225 VanDerWaalsContact CG2-O 3.23Å; T94-H225 WeakPolarHBondContact CG2-O 3.35Å
95	K	90.3	Very high	76.5	Confident	53 Å²	53	65.5 Å²	65.5	23%	0.23	35%	0.35	C	S	.	.	H	α-helix	trans	-74.2	-49.3	177.6	-69.1	-177.8	-67.4	-160.2	0	110.1	D93 D97 T98 I99 E224 N229 I230	D93-K95 PolarHBondContact O-N 2.73Å; D93-K95 WeakPolarHBondContact OD1-CB 3.47Å; D93-K95 PolarHBondContact OD1-N 3.1Å; K95-D97 VanDerWaalsContact C-N 3.28Å; K95-D97 PolarHBondContact O-N 2.87Å; K95-T98 PolarHBondContact O-N 3.38Å; K95-T98 VanDerWaalsContact O-N 3.11Å; K95-I99 WeakPolarHBondContact O-CG1 3.45Å; K95-I99 PolarHBondContact O-N 3.07Å; K95-E224 WeakPolarHBondContact CD-O 3.25Å; K95-E224 PolarHBondContact NZ-O 3.18Å; K95-E224 IonicContact NZ-OE1 3.68Å; K95-E224 PolarHBondContact NZ-OE1 2.67Å; K95-N229 HydrophobicContact CD-CB 4.24Å; K95-I230 HydrophobicContact CB-CG2 4.3Å
96	A	91.9	Very high	79	Confident	49 Å²	49	63.2 Å²	63.2	41%	0.405	35%	0.35	S	S	.	.	H	α-helix	trans	-58.8	-41.9	175.7	0	0	0	0	0	111.7	D93 T98 I99 K100	D93-A96 HydrophobicContact CB-CB 3.82Å; D93-A96 VanDerWaalsContact CG-CB 3.47Å; D93-A96 PolarHBondContact O-N 2.97Å; D93-A96 PolarHBondContact OD1-N 2.61Å; A96-T98 VanDerWaalsContact C-N 3.35Å; A96-T98 PolarHBondContact O-N 2.91Å; A96-I99 PolarHBondContact O-N 3.14Å; A96-K100 PolarHBondContact O-N 2.78Å
97	D	91.7	Very high	81.3	Confident	38 Å²	38	61 Å²	61	20%	0.203	33%	0.334	C	S	.	.	H	α-helix	trans	-64.7	-38.1	175.9	-173.1	55.3	0	0	0	112	D93 K95 K100 Y101 K197	D93-D97 VanDerWaalsContact O-CB 3.31Å; D93-D97 WeakPolarHBondContact O-CB 3.23Å; D93-D97 PolarHBondContact O-N 3.41Å; K95-D97 VanDerWaalsContact C-N 3.28Å; K95-D97 PolarHBondContact O-N 2.87Å; D97-K100 WeakPolarHBondContact O-CB 3.32Å; D97-K100 PolarHBondContact O-N 3.48Å; D97-Y101 VanDerWaalsContact CG-CE2 3.5Å; D97-Y101 WeakPolarHBondContact O-CD2 3.46Å; D97-Y101 PolarHBondContact O-N 3.29Å; D97-Y101 VanDerWaalsContact O-N 3.17Å; D97-Y101 VanDerWaalsContact OD1-CE2 3.23Å; D97-Y101 WeakPolarHBondContact OD1-CE2 3.46Å; D97-Y101 WeakPolarHBondContact OD2-CE2 3.46Å; D97-K197 IonicContact OD2-NZ 3.68Å; D97-K197 PolarHBondContact OD2-NZ 3.11Å
98	T	94.8	Very high	83.7	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-65.6	-40.9	173.6	-54.3	0	0	0	0	111.7	T94 K95 A96 Y101 L102 K197 I201 C227 I230	T94-T98 WeakPolarHBondContact O-CB 3.33Å; T94-T98 PolarHBondContact O-N 2.98Å; T94-T98 PolarHBondContact O-OG1 3Å; K95-T98 PolarHBondContact O-N 3.38Å; K95-T98 VanDerWaalsContact O-N 3.11Å; A96-T98 VanDerWaalsContact C-N 3.35Å; A96-T98 PolarHBondContact O-N 2.91Å; T98-Y101 PolarHBondContact O-N 2.97Å; T98-L102 WeakPolarHBondContact O-CB 3.38Å; T98-L102 PolarHBondContact O-N 3.41Å; T98-K197 HydrophobicContact CG2-CD 4.47Å; T98-K197 HydrophobicContact CG2-CG 3.97Å; T98-K197 WeakPolarHBondContact OG1-CD 3.35Å; T98-K197 VanDerWaalsContact OG1-CE 3.26Å; T98-K197 WeakPolarHBondContact OG1-CE 3.16Å; T98-I201 HydrophobicContact CG2-CG1 4.46Å; T98-C227 HydrophobicContact CG2-CB 3.95Å; T98-C227 VanDerWaalsContact OG1-CB 3.27Å; T98-C227 WeakPolarHBondContact OG1-CB 3.28Å; T98-I230 HydrophobicContact CG2-CD1 3.92Å; T98-I230 HydrophobicContact CG2-CG2 3.87Å
99	I	96.9	Very high	86	Confident	44 Å²	44	54.9 Å²	54.9	23%	0.226	30%	0.299	C	S	.	.	H	α-helix	trans	-62.8	-44.3	175.6	-65.8	166.3	0	0	0	110.4	K95 A96 Y101 L102 E103 L109 I230	K95-I99 WeakPolarHBondContact O-CG1 3.45Å; K95-I99 PolarHBondContact O-N 3.07Å; A96-I99 PolarHBondContact O-N 3.14Å; I99-Y101 VanDerWaalsContact C-N 3.33Å; I99-Y101 PolarHBondContact O-N 3.08Å; I99-L102 PolarHBondContact O-N 3Å; I99-L102 VanDerWaalsContact O-N 3.16Å; I99-E103 HydrophobicContact CG2-CG 4.24Å; I99-E103 WeakPolarHBondContact O-CG 3.36Å; I99-E103 PolarHBondContact O-N 3.28Å; I99-L109 HydrophobicContact CD1-CD2 4.02Å; I99-L109 HydrophobicContact CG1-CD2 4.19Å; I99-L109 HydrophobicContact CG2-CD2 4.5Å; I99-I230 HydrophobicContact CD1-CG2 4.5Å; I99-I230 HydrophobicContact CG1-CB 4.14Å; I99-I230 HydrophobicContact CG1-CG2 3.94Å
100	K	95.8	Very high	88.3	Confident	64 Å²	64	56 Å²	56	28%	0.278	30%	0.301	S	S	.	.	H	α-helix	trans	-49.9	-53.4	174	179.4	-164.1	179.3	-171.4	0	110.9	A96 D97 R104 E187 D191	A96-K100 PolarHBondContact O-N 2.78Å; D97-K100 WeakPolarHBondContact O-CB 3.32Å; D97-K100 PolarHBondContact O-N 3.48Å; K100-R104 VanDerWaalsContact O-CB 3.24Å; K100-R104 WeakPolarHBondContact O-CB 3.02Å; K100-R104 PolarHBondContact O-N 3.15Å; K100-E187 IonicContact NZ-OE1 2.72Å; K100-E187 IonicContact NZ-OE2 3.95Å; K100-E187 PolarHBondContact NZ-OE2 2.91Å; K100-D191 IonicContact NZ-OD1 3.52Å; K100-D191 PolarHBondContact NZ-OD1 3.08Å; K100-D191 IonicContact NZ-OD2 2.77Å; K100-D191 PolarHBondContact NZ-OD2 2.88Å
101	Y	97.5	Very high	90.7	Very high	15 Å²	15	51.8 Å²	51.8	6%	0.059	27%	0.27	C	S	.	.	H	α-helix	trans	-70.8	-35.7	-179.1	-65.7	-59.6	0	0	0	112.8	D97 T98 I99 R104 S105 L182 D191 P193 K197 I201	D97-Y101 VanDerWaalsContact CG-CE2 3.5Å; D97-Y101 WeakPolarHBondContact O-CD2 3.46Å; D97-Y101 PolarHBondContact O-N 3.29Å; D97-Y101 VanDerWaalsContact O-N 3.17Å; D97-Y101 VanDerWaalsContact OD1-CE2 3.23Å; D97-Y101 WeakPolarHBondContact OD1-CE2 3.46Å; D97-Y101 WeakPolarHBondContact OD2-CE2 3.46Å; T98-Y101 PolarHBondContact O-N 2.97Å; I99-Y101 VanDerWaalsContact C-N 3.33Å; I99-Y101 PolarHBondContact O-N 3.08Å; Y101-R104 VanDerWaalsContact CE1-NH2 3.26Å; Y101-R104 PolarHBondContact O-N 2.92Å; Y101-S105 WeakPolarHBondContact O-CB 3.32Å; Y101-S105 PolarHBondContact O-N 2.66Å; Y101-S105 PolarHBondContact O-OG 2.82Å; Y101-L182 HydrophobicContact CD1-CD2 4.04Å; Y101-L182 WeakPolarHBondContact O-CD2 3.37Å; Y101-D191 WeakPolarHBondContact CE1-OD1 3.3Å; Y101-D191 PolarHBondContact OH-OD1 3.44Å; Y101-P193 HydrophobicContact CD1-CB 4.43Å; Y101-P193 HydrophobicContact CD1-CG 4.3Å; Y101-P193 HydrophobicContact CD2-CB 3.67Å; Y101-P193 HydrophobicContact CD2-CG 4.37Å; Y101-P193 HydrophobicContact CE2-CB 3.99Å; Y101-P193 HydrophobicContact CG-CB 3.91Å; Y101-P193 HydrophobicContact CG-CG 4.11Å; Y101-K197 HydrophobicContact CD2-CD 3.82Å; Y101-K197 HydrophobicContact CE2-CD 4.21Å; Y101-I201 VanDerWaalsContact CB-CD1 3.42Å
102	L	98.1	Very high	93	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-59.3	-52.8	175.8	-178.6	68	0	0	0	110.5	T98 I99 R104 S105 L107 L109 V112 I201 F204 I230	T98-L102 WeakPolarHBondContact O-CB 3.38Å; T98-L102 PolarHBondContact O-N 3.41Å; I99-L102 PolarHBondContact O-N 3Å; I99-L102 VanDerWaalsContact O-N 3.16Å; L102-R104 PolarHBondContact O-N 2.9Å; L102-S105 WeakPolarHBondContact O-CB 3.37Å; L102-S105 PolarHBondContact O-N 3.29Å; L102-S105 PolarHBondContact O-OG 3.07Å; L102-L107 CarbonylContact C-O 3.4Å; L102-L107 HydrophobicContact CD1-CB 4.14Å; L102-L107 HydrophobicContact CD1-CD2 3.91Å; L102-L107 HydrophobicContact CD1-CG 4.13Å; L102-L107 WeakPolarHBondContact CG-O 3.32Å; L102-L107 PolarHBondContact O-N 3.08Å; L102-L107 VanDerWaalsContact O-O 3.12Å; L102-L109 HydrophobicContact CD2-CB 4.39Å; L102-L109 HydrophobicContact CD2-CD1 3.95Å; L102-V112 HydrophobicContact CD1-CG2 4.26Å; L102-V112 HydrophobicContact CD2-CG2 3.93Å; L102-I201 HydrophobicContact CB-CG1 4.4Å; L102-I201 HydrophobicContact CD1-CG1 4.38Å; L102-I201 HydrophobicContact CD1-CG2 4.06Å; L102-F204 HydrophobicContact CD1-CB 4.39Å; L102-F204 HydrophobicContact CD1-CD2 4.08Å; L102-I230 HydrophobicContact CD2-CD1 3.68Å
103	E	97.4	Very high	94.4	Very high	108 Å²	108	39.3 Å²	39.3	51%	0.505	22%	0.217	S	C	.	.	H	α-helix	trans	-62.9	-43.6	178.8	-69.2	-178.1	170.5	0	0	111.5	I99 S105 G106	I99-E103 HydrophobicContact CG2-CG 4.24Å; I99-E103 WeakPolarHBondContact O-CG 3.36Å; I99-E103 PolarHBondContact O-N 3.28Å; E103-S105 VanDerWaalsContact C-N 3.26Å; E103-S105 PolarHBondContact O-N 3.06Å; E103-G106 WeakPolarHBondContact O-CA 3.34Å; E103-G106 PolarHBondContact O-N 2.93Å
104	R	97.4	Very high	95	Very high	28 Å²	28	42.4 Å²	42.4	11%	0.106	23%	0.229	C	C	.	.	H	α-helix	trans	-63.2	-31.9	177.6	-168.4	171.5	78.3	-164.2	10.1	113.1	K100 Y101 L102 G106 R181 L182 L185 D191	K100-R104 VanDerWaalsContact O-CB 3.24Å; K100-R104 WeakPolarHBondContact O-CB 3.02Å; K100-R104 PolarHBondContact O-N 3.15Å; Y101-R104 VanDerWaalsContact CE1-NH2 3.26Å; Y101-R104 PolarHBondContact O-N 2.92Å; L102-R104 PolarHBondContact O-N 2.9Å; R104-G106 PolarHBondContact O-N 2.93Å; R104-G106 VanDerWaalsContact O-N 3.14Å; R104-R181 WeakPolarHBondContact O-CG 3.36Å; R104-L182 HydrophobicContact CB-CD2 4.17Å; R104-L182 HydrophobicContact CG-CD2 4.4Å; R104-L182 PolarHBondContact NH2-O 3.49Å; R104-L185 WeakPolarHBondContact CD-O 3.41Å; R104-L185 HydrophobicContact CG-CB 3.73Å; R104-L185 HydrophobicContact CG-CD1 3.86Å; R104-L185 HydrophobicContact CG-CG 4.48Å; R104-D191 IonicContact CZ-OD2 3.76Å; R104-D191 IonicContact NH1-OD1 3.94Å; R104-D191 PolarHBondContact NH1-OD1 2.62Å; R104-D191 IonicContact NH1-OD2 3.64Å; R104-D191 PolarHBondContact NH1-OD2 3.28Å; R104-D191 PolarHBondContact NH2-O 3.17Å; R104-D191 IonicContact NH2-OD1 3.79Å; R104-D191 IonicContact NH2-OD2 3.57Å
105	S	97.9	Very high	95.5	Very high	5 Å²	5	41.8 Å²	41.8	4%	0.035	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-5.7	173.6	77.2	0	0	0	0	113.6	Y101 L102 E103 H205	Y101-S105 WeakPolarHBondContact O-CB 3.32Å; Y101-S105 PolarHBondContact O-N 2.66Å; Y101-S105 PolarHBondContact O-OG 2.82Å; L102-S105 WeakPolarHBondContact O-CB 3.37Å; L102-S105 PolarHBondContact O-N 3.29Å; L102-S105 PolarHBondContact O-OG 3.07Å; E103-S105 VanDerWaalsContact C-N 3.26Å; E103-S105 PolarHBondContact O-N 3.06Å; S105-H205 PolarHBondContact O-CE1 3.18Å; S105-H205 PolarHBondContact OG-NE2 2.91Å
106	G	97.4	Very high	95.8	Very high	52 Å²	52	41.5 Å²	41.5	54%	0.536	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.6	17.3	179.1	0	0	0	0	0	114	E103 R104	E103-G106 WeakPolarHBondContact O-CA 3.34Å; E103-G106 PolarHBondContact O-N 2.93Å; R104-G106 PolarHBondContact O-N 2.93Å; R104-G106 VanDerWaalsContact O-N 3.14Å
107	L	97.8	Very high	96.1	Very high	10 Å²	10	39.4 Å²	39.4	5%	0.052	21%	0.211	C	C	.	.			trans	-117	104.3	174.8	-178.6	58.3	0	0	0	109.3	L102 T111 V112 F204 H205 V208	L102-L107 CarbonylContact C-O 3.4Å; L102-L107 HydrophobicContact CD1-CB 4.14Å; L102-L107 HydrophobicContact CD1-CD2 3.91Å; L102-L107 HydrophobicContact CD1-CG 4.13Å; L102-L107 WeakPolarHBondContact CG-O 3.32Å; L102-L107 PolarHBondContact O-N 3.08Å; L102-L107 VanDerWaalsContact O-O 3.12Å; L107-T111 HydrophobicContact CD1-CG2 3.77Å; L107-V112 HydrophobicContact CD1-CG2 4.33Å; L107-V112 HydrophobicContact CD2-CG2 3.67Å; L107-V112 HydrophobicContact CG-CG2 3.74Å; L107-F204 HydrophobicContact CD2-CB 3.88Å; L107-H205 VanDerWaalsContact CB-NE2 3.34Å; L107-H205 WeakPolarHBondContact CB-NE2 3.29Å; L107-H205 HydrophobicContact CD2-CB 4.46Å; L107-V208 HydrophobicContact CD1-CG1 4.38Å; L107-V208 HydrophobicContact CD1-CG2 4.26Å; L107-V208 HydrophobicContact CD2-CG2 4.46Å
108	P	96.5	Very high	96.4	Very high	46 Å²	46	37.6 Å²	37.6	30%	0.299	20%	0.201	S	C	.	.			trans	-63.6	144.9	177.8	-21.5	33.1	0	0	0	111.8	E110 T111 V112	P108-E110 HydrophobicContact CB-CG 4.17Å; P108-E110 WeakPolarHBondContact CB-OE1 3.23Å; P108-E110 WeakPolarHBondContact CB-OE2 3.31Å; P108-E110 PolarHBondContact O-N 3.34Å; P108-T111 WeakPolarHBondContact O-CB 3.3Å; P108-T111 PolarHBondContact O-N 3.31Å; P108-V112 PolarHBondContact O-N 2.92Å
109	L	95.8	Very high	96.6	Very high	8 Å²	8	37.6 Å²	37.6	4%	0.042	20%	0.201	C	C	.	.	H	α-helix	trans	-58.2	-37.5	177.9	-179.4	61.2	0	0	0	111.2	I99 L102 T111 V112 E113 I230	I99-L109 HydrophobicContact CD1-CD2 4.02Å; I99-L109 HydrophobicContact CG1-CD2 4.19Å; I99-L109 HydrophobicContact CG2-CD2 4.5Å; L102-L109 HydrophobicContact CD2-CB 4.39Å; L102-L109 HydrophobicContact CD2-CD1 3.95Å; L109-T111 PolarHBondContact O-N 2.91Å; L109-V112 PolarHBondContact O-N 3.37Å; L109-V112 VanDerWaalsContact O-N 3.1Å; L109-E113 HydrophobicContact CD1-CG 4.33Å; L109-E113 HydrophobicContact CG-CG 4.31Å; L109-E113 WeakPolarHBondContact O-CG 3.28Å; L109-E113 PolarHBondContact O-N 3.45Å; L109-I230 HydrophobicContact CD1-CD1 4.33Å
110	E	95.3	Very high	96.7	Very high	115 Å²	115	35.5 Å²	35.5	54%	0.537	19%	0.19	S	C	.	.	H	α-helix	trans	-61.9	-26	177.5	68.8	-91.7	-171.1	0	0	113.5	P108 Q114	P108-E110 HydrophobicContact CB-CG 4.17Å; P108-E110 WeakPolarHBondContact CB-OE1 3.23Å; P108-E110 WeakPolarHBondContact CB-OE2 3.31Å; P108-E110 PolarHBondContact O-N 3.34Å; E110-Q114 WeakPolarHBondContact O-CG 3.36Å
111	T	96.7	Very high	96.8	Very high	38 Å²	38	32.4 Å²	32.4	23%	0.233	18%	0.177	C	C	.	.	H	α-helix	trans	-74.6	-41	176.2	-57.2	0	0	0	0	110.3	L107 P108 L109 E113 Q114 V208	L107-T111 HydrophobicContact CD1-CG2 3.77Å; P108-T111 WeakPolarHBondContact O-CB 3.3Å; P108-T111 PolarHBondContact O-N 3.31Å; L109-T111 PolarHBondContact O-N 2.91Å; T111-E113 VanDerWaalsContact C-N 3.26Å; T111-E113 PolarHBondContact O-N 2.88Å; T111-Q114 WeakPolarHBondContact O-CB 3.32Å; T111-Q114 PolarHBondContact O-N 3.44Å; T111-V208 HydrophobicContact CG2-CG1 3.88Å; T111-V208 HydrophobicContact CG2-CG2 4.36Å
112	V	96.1	Very high	96.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.5	-38.2	174.6	-178.5	0	0	0	0	110.6	L102 L107 P108 L109 Q114 L115 F117 F204 V231	L102-V112 HydrophobicContact CD1-CG2 4.26Å; L102-V112 HydrophobicContact CD2-CG2 3.93Å; L107-V112 HydrophobicContact CD1-CG2 4.33Å; L107-V112 HydrophobicContact CD2-CG2 3.67Å; L107-V112 HydrophobicContact CG-CG2 3.74Å; P108-V112 PolarHBondContact O-N 2.92Å; L109-V112 PolarHBondContact O-N 3.37Å; L109-V112 VanDerWaalsContact O-N 3.1Å; V112-Q114 PolarHBondContact O-N 3.3Å; V112-L115 WeakPolarHBondContact O-CB 3.29Å; V112-L115 PolarHBondContact O-N 3.45Å; V112-F117 HydrophobicContact CG1-CE2 4.21Å; V112-F117 HydrophobicContact CG1-CZ 3.74Å; V112-F117 WeakPolarHBondContact O-CE2 3.48Å; V112-F204 HydrophobicContact CG1-CB 4.29Å; V112-F204 HydrophobicContact CG1-CD1 3.85Å; V112-F204 HydrophobicContact CG1-CD2 4.29Å; V112-F204 HydrophobicContact CG1-CE1 4.22Å; V112-F204 HydrophobicContact CG1-CG 3.9Å; V112-F204 HydrophobicContact CG2-CB 4.03Å; V112-F204 HydrophobicContact CG2-CG 4.36Å; V112-V231 HydrophobicContact CG1-CG1 4.2Å
113	E	92.1	Very high	96.5	Very high	35 Å²	35	32 Å²	32	16%	0.164	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-7.9	-178.8	-69.6	-176.2	138.4	0	0	115.3	L109 T111 L115 R232 N233	L109-E113 HydrophobicContact CD1-CG 4.33Å; L109-E113 HydrophobicContact CG-CG 4.31Å; L109-E113 WeakPolarHBondContact O-CG 3.28Å; L109-E113 PolarHBondContact O-N 3.45Å; T111-E113 VanDerWaalsContact C-N 3.26Å; T111-E113 PolarHBondContact O-N 2.88Å; E113-L115 VanDerWaalsContact C-N 3.3Å; E113-R232 VanDerWaalsContact CD-NH2 3.26Å; E113-R232 WeakPolarHBondContact OE1-CB 3.34Å; E113-R232 IonicContact OE1-CZ 3.42Å; E113-R232 VanDerWaalsContact OE1-CZ 3.3Å; E113-R232 IonicContact OE1-NE 2.7Å; E113-R232 PolarHBondContact OE1-NE 2.97Å; E113-R232 IonicContact OE1-NH2 2.9Å; E113-R232 PolarHBondContact OE1-NH2 3.45Å; E113-R232 VanDerWaalsContact OE1-NH2 3.1Å; E113-R232 IonicContact OE2-CZ 2.64Å; E113-R232 IonicContact OE2-NE 2.84Å; E113-R232 IonicContact OE2-NH2 3.3Å; E113-R232 PolarHBondContact OE2-NH2 2.98Å; E113-N233 PolarHBondContact O-ND2 3.32Å
114	Q	93.4	Very high	96.3	Very high	153 Å²	153	28.2 Å²	28.2	72%	0.715	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-22.1	168.3	-66.8	171.8	23.5	0	0	112.1	E110 T111 V112	E110-Q114 WeakPolarHBondContact O-CG 3.36Å; T111-Q114 WeakPolarHBondContact O-CB 3.32Å; T111-Q114 PolarHBondContact O-N 3.44Å; V112-Q114 PolarHBondContact O-N 3.3Å
115	L	94.9	Very high	96.1	Very high	16 Å²	16	27.9 Å²	27.9	8%	0.084	16%	0.163	C	C	.	.	S	Bend	trans	-73.1	148.2	171.5	-60.6	175.3	0	0	0	110.3	V112 E113 F117 F207 V208 V212 V215	V112-L115 WeakPolarHBondContact O-CB 3.29Å; V112-L115 PolarHBondContact O-N 3.45Å; E113-L115 VanDerWaalsContact C-N 3.3Å; L115-F117 HydrophobicContact CB-CD2 4.46Å; L115-F117 HydrophobicContact CB-CE2 3.68Å; L115-F117 HydrophobicContact CB-CZ 3.8Å; L115-F117 HydrophobicContact CD1-CZ 4.1Å; L115-F117 WeakPolarHBondContact O-CD2 3.44Å; L115-F117 WeakPolarHBondContact O-CE2 3.42Å; L115-F207 HydrophobicContact CD1-CB 3.76Å; L115-V208 HydrophobicContact CD1-CG2 3.72Å; L115-V208 HydrophobicContact CG-CG2 4.2Å; L115-V212 HydrophobicContact CD2-CG2 4.07Å; L115-V212 WeakPolarHBondContact CD2-O 3.22Å; L115-V215 HydrophobicContact CD1-CG2 4.21Å
116	S	96.6	Very high	96	Very high	48 Å²	48	28.8 Å²	28.8	34%	0.336	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	142	169	-59.9	0	0	0	0	110.6	D213 V214 V215	S116-D213 WeakPolarHBondContact CB-O 3.46Å; S116-V214 CarbonylContact O-C 3.6Å; S116-V214 WeakPolarHBondContact O-CA 3.21Å; S116-V215 PolarHBondContact O-N 3.34Å
117	F	98.1	Very high	95.9	Very high	4 Å²	4	26.7 Å²	26.7	2%	0.018	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	142.9	-179.1	-67	-87.6	0	0	0	112.2	V112 L115 F204 V215 L217 V231 V234	V112-F117 HydrophobicContact CG1-CE2 4.21Å; V112-F117 HydrophobicContact CG1-CZ 3.74Å; V112-F117 WeakPolarHBondContact O-CE2 3.48Å; L115-F117 HydrophobicContact CB-CD2 4.46Å; L115-F117 HydrophobicContact CB-CE2 3.68Å; L115-F117 HydrophobicContact CB-CZ 3.8Å; L115-F117 HydrophobicContact CD1-CZ 4.1Å; L115-F117 WeakPolarHBondContact O-CD2 3.44Å; L115-F117 WeakPolarHBondContact O-CE2 3.42Å; F117-F204 HydrophobicContact CE1-CD1 4.27Å; F117-F204 AromaticContact CE1-CE1 3.82Å; F117-F204 HydrophobicContact CE1-CE1 3.82Å; F117-F204 HydrophobicContact CZ-CD1 4.34Å; F117-F204 HydrophobicContact CZ-CE1 4.14Å; F117-V215 WeakPolarHBondContact CA-O 3.3Å; F117-V215 HydrophobicContact CD1-CB 3.59Å; F117-V215 HydrophobicContact CD1-CG1 3.97Å; F117-V215 HydrophobicContact CD1-CG2 4.31Å; F117-V215 HydrophobicContact CE1-CB 3.64Å; F117-V215 HydrophobicContact CE1-CG1 3.91Å; F117-V215 HydrophobicContact CE1-CG2 3.9Å; F117-L217 HydrophobicContact CD1-CB 4.4Å; F117-L217 HydrophobicContact CD1-CD2 4.05Å; F117-L217 HydrophobicContact CE1-CD2 4.41Å; F117-V231 HydrophobicContact CD1-CG1 4.21Å; F117-V231 HydrophobicContact CD2-CB 4.16Å; F117-V231 HydrophobicContact CD2-CG1 4.11Å; F117-V231 HydrophobicContact CE1-CG1 3.93Å; F117-V231 HydrophobicContact CE2-CB 4.28Å; F117-V231 HydrophobicContact CE2-CG1 3.79Å; F117-V231 HydrophobicContact CG-CB 4.35Å; F117-V231 HydrophobicContact CG-CG1 4.32Å; F117-V231 HydrophobicContact CG-CG2 4.35Å; F117-V231 HydrophobicContact CZ-CG1 3.71Å; F117-V234 HydrophobicContact CB-CG2 4.01Å
118	I	98.8	Very high	95.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	118.5	158.1	-59.1	176.1	0	0	0	106.5	V120 T133 L137 V214 V215 L217 T236 L331 W335	I118-V120 HydrophobicContact CG2-CG2 4.23Å; I118-T133 HydrophobicContact CD1-CG2 3.64Å; I118-L137 HydrophobicContact CD1-CD1 3.57Å; I118-V214 HydrophobicContact CD1-CG2 4.28Å; I118-V214 HydrophobicContact CG1-CG2 4.14Å; I118-V215 PolarHBondContact N-O 3.21Å; I118-L217 PolarHBondContact O-N 2.67Å; I118-T236 WeakPolarHBondContact CA-O 3.32Å; I118-T236 HydrophobicContact CG1-CG2 4.48Å; I118-T236 HydrophobicContact CG2-CG2 4.25Å; I118-L331 HydrophobicContact CG2-CB 4.25Å; I118-L331 HydrophobicContact CG2-CD1 4.34Å; I118-L331 HydrophobicContact CG2-CD2 4.25Å; I118-W335 HydrophobicContact CD1-CB 3.63Å; I118-W335 HydrophobicContact CD1-CG 3.83Å; I118-W335 HydrophobicContact CG1-CB 4.1Å; I118-W335 HydrophobicContact CG1-CG 4.04Å
119	H	98.7	Very high	96	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	127	-174	-159.4	-176.7	0	0	0	110.5	L217 V219 T228 V234 T236 V237 G238 I264	H119-L217 PolarHBondContact CD2-O 2.9Å; H119-V219 WeakPolarHBondContact NE2-CG2 3.3Å; H119-T228 PolarHBondContact NE2-OG1 3.31Å; H119-V234 HydrophobicContact CB-CG1 3.77Å; H119-V234 HydrophobicContact CB-CG2 4.25Å; H119-T236 PolarHBondContact N-O 3.37Å; H119-V237 WeakPolarHBondContact O-CA 3.44Å; H119-G238 PolarHBondContact O-N 2.88Å; H119-I264 HydrophobicContact CB-CD1 4.12Å; H119-I264 WeakPolarHBondContact O-CD1 3.29Å
120	V	98.8	Very high	96.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	120.8	-172.5	-174.8	0	0	0	0	111.4	I118 T129 C130 L217 V219 G238 T240 L331	I118-V120 HydrophobicContact CG2-CG2 4.23Å; V120-T129 HydrophobicContact CG1-CG2 4.31Å; V120-C130 WeakPolarHBondContact CB-SG 3.37Å; V120-L217 PolarHBondContact N-O 3.11Å; V120-V219 WeakPolarHBondContact O-CG2 3.5Å; V120-V219 PolarHBondContact O-N 2.72Å; V120-G238 CarbonylContact C-O 3.56Å; V120-G238 VanDerWaalsContact CA-O 3.3Å; V120-G238 WeakPolarHBondContact CA-O 3.39Å; V120-T240 HydrophobicContact CG1-CG2 3.66Å; V120-L331 HydrophobicContact CG2-CD1 4.05Å
121	A	98.4	Very high	96.2	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	169.6	172.8	0	0	0	0	0	111.1	V219 G238 I239 T240 K261 I264	A121-V219 HydrophobicContact CB-CB 4.26Å; A121-V219 HydrophobicContact CB-CG2 3.89Å; A121-G238 PolarHBondContact N-O 2.94Å; A121-I239 HydrophobicContact CB-CD1 3.97Å; A121-I239 WeakPolarHBondContact O-CA 3.38Å; A121-T240 PolarHBondContact O-N 3.3Å; A121-K261 HydrophobicContact CB-CB 4.12Å; A121-K261 WeakPolarHBondContact CB-O 3.4Å; A121-I264 HydrophobicContact CB-CD1 3.56Å; A121-I264 HydrophobicContact CB-CG1 3.96Å; A121-I264 HydrophobicContact CB-CG2 4.39Å
122	G	96.4	Very high	96.3	Very high	1 Å²	1	17 Å²	17	1%	0.01	9%	0.094	C	C	.	.			trans	147.5	172.9	-179.5	0	0	0	0	0	113.7	K126 T240 K261	G122-K126 VanDerWaalsContact O-CD 3.3Å; G122-K126 WeakPolarHBondContact O-CD 3.36Å; G122-K126 PolarHBondContact O-NZ 3.24Å; G122-T240 WeakPolarHBondContact CA-OG1 2.99Å; G122-K261 PolarHBondContact O-NZ 2.84Å
123	T	92.6	Very high	96.4	Very high	5 Å²	5	17 Å²	17	3%	0.031	9%	0.094	C	C	.	.	S	Bend	trans	-86.6	-65.2	174.3	-62.6	0	0	0	0	109	K126 S241 G243 E245 K261	T123-K126 PolarHBondContact O-NZ 3.31Å; T123-S241 WeakPolarHBondContact CA-O 3.23Å; T123-S241 WeakPolarHBondContact CB-O 3.27Å; T123-S241 PolarHBondContact N-O 2.94Å; T123-G243 WeakPolarHBondContact CG2-O 3.33Å; T123-G243 PolarHBondContact OG1-N 2.83Å; T123-G243 PolarHBondContact OG1-O 3.25Å; T123-E245 HydrophobicContact CG2-CB 3.76Å; T123-E245 VanDerWaalsContact CG2-OE2 3.27Å; T123-E245 WeakPolarHBondContact CG2-OE2 3.32Å; T123-K261 WeakPolarHBondContact OG1-CE 3.19Å; T123-K261 PolarHBondContact OG1-NZ 3.45Å
124	K	92.3	Very high	96.7	Very high	29 Å²	29	15.9 Å²	15.9	13%	0.126	9%	0.089	C	C	.	.	B	Isolated β-bridge	trans	-115.4	148.7	177.1	-55.2	-55.2	178.7	-157.4	0	112	T240 S241 E245 H384 T385	K124-T240 VanDerWaalsContact O-CB 3.24Å; K124-T240 WeakPolarHBondContact O-CB 3.36Å; K124-T240 PolarHBondContact O-OG1 2.89Å; K124-S241 VanDerWaalsContact C-OG 3.3Å; K124-S241 WeakPolarHBondContact CA-OG 3.5Å; K124-S241 WeakPolarHBondContact CB-OG 3.46Å; K124-S241 PolarHBondContact N-O 3.29Å; K124-S241 PolarHBondContact N-OG 3.44Å; K124-S241 PolarHBondContact O-N 2.85Å; K124-S241 PolarHBondContact O-OG 3.09Å; K124-E245 IonicContact NZ-OE1 2.74Å; K124-E245 PolarHBondContact NZ-OE1 2.69Å; K124-E245 IonicContact NZ-OE2 3.96Å; K124-H384 PolarHBondContact NZ-CE1 3.5Å; K124-H384 PolarHBondContact NZ-NE2 2.77Å; K124-T385 WeakPolarHBondContact CE-OG1 3.49Å; K124-T385 VanDerWaalsContact NZ-CG2 3.27Å
125	G	93.9	Very high	96.9	Very high	20 Å²	20	8.7 Å²	8.7	21%	0.206	6%	0.055	C	C	.	.	S	Bend	trans	95.2	-14.3	178.3	0	0	0	0	0	115.8	G127 S128 T129 N324	G125-G127 PolarHBondContact O-N 3.46Å; G125-S128 CarbonylContact O-C 3.57Å; G125-S128 WeakPolarHBondContact O-CB 3Å; G125-S128 PolarHBondContact O-N 3.09Å; G125-S128 VanDerWaalsContact O-N 3.09Å; G125-T129 WeakPolarHBondContact O-CB 3.41Å; G125-T129 PolarHBondContact O-N 3.22Å; G125-T129 PolarHBondContact O-OG1 3.04Å; G125-N324 VanDerWaalsContact CA-OD1 3.27Å; G125-N324 WeakPolarHBondContact CA-OD1 3.22Å
126	K	95.9	Very high	97	Very high	25 Å²	25	7.9 Å²	7.9	11%	0.109	5%	0.051	C	C	.	.	H	α-helix	trans	-44.6	-70.7	-179.2	-67.4	-168.7	-59.7	-64.1	0	114.1	G122 T123 S128 T129 C130 E218 V219 T240	G122-K126 VanDerWaalsContact O-CD 3.3Å; G122-K126 WeakPolarHBondContact O-CD 3.36Å; G122-K126 PolarHBondContact O-NZ 3.24Å; T123-K126 PolarHBondContact O-NZ 3.31Å; K126-S128 PolarHBondContact O-N 3.33Å; K126-T129 PolarHBondContact O-N 3.24Å; K126-T129 VanDerWaalsContact O-N 3.15Å; K126-C130 PolarHBondContact O-N 3.2Å; K126-C130 PolarHBondContact O-SG 3.1Å; K126-E218 HydrophobicContact CB-CG 3.99Å; K126-E218 WeakPolarHBondContact CB-OE1 3.39Å; K126-E218 HydrophobicContact CD-CG 4.25Å; K126-E218 WeakPolarHBondContact CE-OE1 3.41Å; K126-V219 VanDerWaalsContact CE-O 3.29Å; K126-V219 WeakPolarHBondContact CE-O 3.14Å; K126-T240 HydrophobicContact CG-CG2 4.39Å
127	G	95.6	Very high	97.1	Very high	7 Å²	7	5.6 Å²	5.6	7%	0.072	4%	0.035	C	C	.	.	H	α-helix	trans	-56.4	-33.9	178.4	0	0	0	0	0	114.4	G125 A131 E218	G125-G127 PolarHBondContact O-N 3.46Å; G127-A131 VanDerWaalsContact O-CB 3.25Å; G127-A131 WeakPolarHBondContact O-CB 3.41Å; G127-A131 PolarHBondContact O-N 2.92Å; G127-E218 PolarHBondContact N-OE1 2.95Å; G127-E218 VanDerWaalsContact N-OE1 3.08Å
128	S	96.5	Very high	97	Very high	10 Å²	10	8.7 Å²	8.7	7%	0.07	5%	0.047	C	C	.	.	H	α-helix	trans	-68	-46.2	176	-64.7	0	0	0	0	112.4	G125 K126 A131 L132	G125-S128 CarbonylContact O-C 3.57Å; G125-S128 WeakPolarHBondContact O-CB 3Å; G125-S128 PolarHBondContact O-N 3.09Å; G125-S128 VanDerWaalsContact O-N 3.09Å; K126-S128 PolarHBondContact O-N 3.33Å; S128-A131 PolarHBondContact O-N 3.25Å; S128-L132 WeakPolarHBondContact O-CD1 3.44Å; S128-L132 VanDerWaalsContact O-CG 3.3Å; S128-L132 WeakPolarHBondContact O-CG 3.39Å; S128-L132 PolarHBondContact O-N 3.45Å
129	T	98.4	Very high	96.8	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-60.1	-47.2	173.1	-63.1	0	0	0	0	110	V120 G125 K126 A131 L132 T133 T240 L327 A328 L331	V120-T129 HydrophobicContact CG1-CG2 4.31Å; G125-T129 WeakPolarHBondContact O-CB 3.41Å; G125-T129 PolarHBondContact O-N 3.22Å; G125-T129 PolarHBondContact O-OG1 3.04Å; K126-T129 PolarHBondContact O-N 3.24Å; K126-T129 VanDerWaalsContact O-N 3.15Å; T129-A131 VanDerWaalsContact C-N 3.35Å; T129-A131 PolarHBondContact O-N 3.01Å; T129-L132 PolarHBondContact O-N 3.27Å; T129-T133 WeakPolarHBondContact O-CB 3.36Å; T129-T133 PolarHBondContact O-N 2.92Å; T129-T133 PolarHBondContact O-OG1 3.47Å; T129-T133 VanDerWaalsContact O-OG1 3.07Å; T129-T240 HydrophobicContact CG2-CG2 4.43Å; T129-L327 HydrophobicContact CG2-CB 4.41Å; T129-L327 HydrophobicContact CG2-CD2 3.9Å; T129-L327 HydrophobicContact CG2-CG 3.84Å; T129-A328 HydrophobicContact CG2-CB 4.35Å; T129-L331 HydrophobicContact CG2-CD1 3.61Å
130	C	98.5	Very high	96.6	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-60.6	-42.9	178	-65.9	0	0	0	0	112	V120 K126 T133 E134 F146 V216	V120-C130 WeakPolarHBondContact CB-SG 3.37Å; K126-C130 PolarHBondContact O-N 3.2Å; K126-C130 PolarHBondContact O-SG 3.1Å; C130-T133 PolarHBondContact O-N 3.44Å; C130-E134 VanDerWaalsContact O-CB 3.27Å; C130-E134 WeakPolarHBondContact O-CB 3.28Å; C130-E134 PolarHBondContact O-N 3.26Å; C130-F146 HydrophobicContact CB-CD2 4.04Å; C130-F146 HydrophobicContact CB-CE2 3.41Å; C130-F146 VanDerWaalsContact CB-CE2 3.41Å; C130-F146 HydrophobicContact CB-CZ 4.37Å; C130-V216 HydrophobicContact CB-CG1 3.6Å
131	A	97.7	Very high	96.4	Very high	5 Å²	5	16.7 Å²	16.7	4%	0.041	10%	0.103	C	C	.	.	H	α-helix	trans	-67	-39.7	-179.9	0	0	0	0	0	111.9	G127 S128 T129 S135 F146 T362 W364	G127-A131 VanDerWaalsContact O-CB 3.25Å; G127-A131 WeakPolarHBondContact O-CB 3.41Å; G127-A131 PolarHBondContact O-N 2.92Å; S128-A131 PolarHBondContact O-N 3.25Å; T129-A131 VanDerWaalsContact C-N 3.35Å; T129-A131 PolarHBondContact O-N 3.01Å; A131-S135 WeakPolarHBondContact O-CB 3.39Å; A131-S135 PolarHBondContact O-N 3.35Å; A131-F146 HydrophobicContact CB-CE2 4.32Å; A131-F146 HydrophobicContact CB-CZ 4.49Å; A131-T362 HydrophobicContact CB-CG2 4.16Å; A131-W364 HydrophobicContact CB-CB 4.05Å; A131-W364 HydrophobicContact CB-CD2 3.84Å; A131-W364 HydrophobicContact CB-CE3 3.74Å; A131-W364 HydrophobicContact CB-CG 3.97Å
132	L	98.3	Very high	96.3	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-63.9	-50.1	173	-71.7	162.2	0	0	0	110.9	S128 T129 E134 S135 L136 L320 I321 N324 A328 L359 T362	S128-L132 WeakPolarHBondContact O-CD1 3.44Å; S128-L132 VanDerWaalsContact O-CG 3.3Å; S128-L132 WeakPolarHBondContact O-CG 3.39Å; S128-L132 PolarHBondContact O-N 3.45Å; T129-L132 PolarHBondContact O-N 3.27Å; L132-E134 PolarHBondContact O-N 2.9Å; L132-S135 PolarHBondContact O-N 3.03Å; L132-L136 WeakPolarHBondContact O-CB 3.34Å; L132-L136 WeakPolarHBondContact O-CG 3.35Å; L132-L136 PolarHBondContact O-N 2.97Å; L132-L320 HydrophobicContact CD1-CD2 3.68Å; L132-L320 HydrophobicContact CD2-CD2 3.52Å; L132-L320 HydrophobicContact CG-CD2 3.55Å; L132-I321 HydrophobicContact CD2-CG1 3.91Å; L132-N324 HydrophobicContact CD1-CB 3.76Å; L132-A328 HydrophobicContact CB-CB 3.3Å; L132-A328 HydrophobicContact CD1-CB 4Å; L132-A328 HydrophobicContact CG-CB 4.29Å; L132-L359 HydrophobicContact CD2-CD1 3.6Å; L132-L359 HydrophobicContact CD2-CG 4.26Å; L132-T362 HydrophobicContact CD2-CG2 3.84Å; L132-T362 WeakPolarHBondContact CD2-OG1 3.4Å; L132-T362 HydrophobicContact CG-CG2 4.13Å
133	T	98.6	Very high	96.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-60.2	-44.4	179.8	-63.2	0	0	0	0	111.6	I118 T129 C130 L136 L137 V216 A328 L331 A332	I118-T133 HydrophobicContact CD1-CG2 3.64Å; T129-T133 WeakPolarHBondContact O-CB 3.36Å; T129-T133 PolarHBondContact O-N 2.92Å; T129-T133 PolarHBondContact O-OG1 3.47Å; T129-T133 VanDerWaalsContact O-OG1 3.07Å; C130-T133 PolarHBondContact O-N 3.44Å; T133-L136 PolarHBondContact O-N 3.25Å; T133-L137 HydrophobicContact CG2-CD1 3.97Å; T133-L137 VanDerWaalsContact O-CG 3.3Å; T133-L137 WeakPolarHBondContact O-CG 3.41Å; T133-L137 PolarHBondContact O-N 3.07Å; T133-V216 HydrophobicContact CG2-CG1 4.44Å; T133-V216 HydrophobicContact CG2-CG2 4.14Å; T133-A328 VanDerWaalsContact OG1-CA 3.27Å; T133-A328 WeakPolarHBondContact OG1-CA 3.46Å; T133-A328 PolarHBondContact OG1-O 3.38Å; T133-L331 HydrophobicContact CG2-CB 4.07Å; T133-A332 HydrophobicContact CG2-CB 4.32Å
134	E	98.3	Very high	96.6	Very high	11 Å²	11	22 Å²	22	5%	0.051	12%	0.123	C	C	.	.	H	α-helix	trans	-57.1	-50.5	173.7	-177.9	-73.5	145.1	0	0	111	C130 L132 L136 L137 R138 T144 F146 G163 V216	C130-E134 VanDerWaalsContact O-CB 3.27Å; C130-E134 WeakPolarHBondContact O-CB 3.28Å; C130-E134 PolarHBondContact O-N 3.26Å; L132-E134 PolarHBondContact O-N 2.9Å; E134-L136 VanDerWaalsContact C-N 3.33Å; E134-L136 PolarHBondContact O-N 3.06Å; E134-L137 PolarHBondContact O-N 2.94Å; E134-R138 WeakPolarHBondContact O-CB 3.45Å; E134-R138 PolarHBondContact O-N 3.42Å; E134-R138 WeakPolarHBondContact OE1-CD 3.47Å; E134-R138 IonicContact OE1-CZ 2.73Å; E134-R138 IonicContact OE1-NE 3.83Å; E134-R138 PolarHBondContact OE1-NE 2.81Å; E134-R138 IonicContact OE2-CZ 3.3Å; E134-R138 IonicContact OE2-NE 3.1Å; E134-R138 IonicContact OE2-NH2 2.64Å; E134-R138 PolarHBondContact OE2-NH2 2.67Å; E134-T144 HydrophobicContact CG-CG2 4.45Å; E134-T144 PolarHBondContact OE1-OG1 3.36Å; E134-F146 HydrophobicContact CB-CD2 4.12Å; E134-F146 HydrophobicContact CG-CB 3.97Å; E134-F146 HydrophobicContact CG-CD2 4.4Å; E134-G163 PolarHBondContact OE1-N 2.81Å; E134-G163 VanDerWaalsContact OE1-N 3.08Å; E134-V216 HydrophobicContact CB-CG2 4.14Å
135	S	97.9	Very high	96.9	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.007	12%	0.117	C	C	.	.	H	α-helix	trans	-62	-43	-177.7	-172.3	0	0	0	0	111.1	A131 L132 R138 H139 G358 T362	A131-S135 WeakPolarHBondContact O-CB 3.39Å; A131-S135 PolarHBondContact O-N 3.35Å; L132-S135 PolarHBondContact O-N 3.03Å; S135-R138 PolarHBondContact O-N 3.46Å; S135-H139 PolarHBondContact O-N 2.75Å; S135-H139 PolarHBondContact O-ND1 3.02Å; S135-H139 PolarHBondContact OG-CE1 2.97Å; S135-H139 PolarHBondContact OG-ND1 2.93Å; S135-G358 WeakPolarHBondContact CB-O 3.42Å; S135-G358 PolarHBondContact OG-O 3.02Å; S135-T362 VanDerWaalsContact CB-OG1 3.23Å; S135-T362 WeakPolarHBondContact CB-OG1 3.48Å; S135-T362 PolarHBondContact OG-OG1 3.31Å
136	L	97.4	Very high	97.1	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-57.9	-50.1	175.9	-68.4	169.8	0	0	0	111.4	L132 T133 E134 H139 Q140 A328 I329 A332 L355 L359	L132-L136 WeakPolarHBondContact O-CB 3.34Å; L132-L136 WeakPolarHBondContact O-CG 3.35Å; L132-L136 PolarHBondContact O-N 2.97Å; T133-L136 PolarHBondContact O-N 3.25Å; E134-L136 VanDerWaalsContact C-N 3.33Å; E134-L136 PolarHBondContact O-N 3.06Å; L136-H139 PolarHBondContact O-N 2.73Å; L136-Q140 VanDerWaalsContact O-CG 3.31Å; L136-Q140 WeakPolarHBondContact O-CG 3.5Å; L136-Q140 PolarHBondContact O-N 2.95Å; L136-A328 HydrophobicContact CD1-CB 4.34Å; L136-I329 HydrophobicContact CD1-CG1 4.13Å; L136-A332 HydrophobicContact CB-CB 3.81Å; L136-A332 HydrophobicContact CD1-CB 3.93Å; L136-L355 HydrophobicContact CB-CD2 4.06Å; L136-L355 HydrophobicContact CD2-CB 4.02Å; L136-L355 HydrophobicContact CD2-CD2 3.83Å; L136-L355 WeakPolarHBondContact CD2-O 3.47Å; L136-L355 HydrophobicContact CG-CD2 4.42Å; L136-L359 HydrophobicContact CD1-CD1 4.42Å; L136-L359 HydrophobicContact CD2-CB 4.11Å; L136-L359 HydrophobicContact CD2-CD1 4.34Å
137	L	97.6	Very high	97.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-66.1	-40.4	-179.4	-66.8	172.8	0	0	0	112.2	I118 T133 E134 H139 Q140 G141 F142 T144 V214 V216 A332 W335 L336	I118-L137 HydrophobicContact CD1-CD1 3.57Å; T133-L137 HydrophobicContact CG2-CD1 3.97Å; T133-L137 VanDerWaalsContact O-CG 3.3Å; T133-L137 WeakPolarHBondContact O-CG 3.41Å; T133-L137 PolarHBondContact O-N 3.07Å; E134-L137 PolarHBondContact O-N 2.94Å; L137-H139 VanDerWaalsContact C-N 3.34Å; L137-H139 PolarHBondContact O-N 2.73Å; L137-Q140 CarbonylContact O-C 3.2Å; L137-Q140 WeakPolarHBondContact O-CA 3.27Å; L137-Q140 WeakPolarHBondContact O-CB 3.26Å; L137-Q140 PolarHBondContact O-N 3.26Å; L137-Q140 VanDerWaalsContact O-N 3.08Å; L137-G141 PolarHBondContact O-N 2.88Å; L137-F142 WeakPolarHBondContact O-CD2 3.4Å; L137-F142 PolarHBondContact O-N 2.79Å; L137-T144 HydrophobicContact CB-CG2 3.98Å; L137-V214 HydrophobicContact CD1-CG1 3.91Å; L137-V214 HydrophobicContact CD1-CG2 4.26Å; L137-V216 HydrophobicContact CD1-CG2 4.37Å; L137-A332 HydrophobicContact CD2-CB 4Å; L137-A332 HydrophobicContact CG-CB 4.12Å; L137-W335 HydrophobicContact CD1-CE3 4.35Å; L137-W335 HydrophobicContact CD2-CD2 4.39Å; L137-W335 HydrophobicContact CD2-CE3 3.53Å; L137-W335 HydrophobicContact CD2-CZ3 4.06Å; L137-L336 HydrophobicContact CD2-CD1 4.25Å; L137-L336 HydrophobicContact CD2-CD2 3.95Å; L137-L336 HydrophobicContact CD2-CG 3.78Å
138	R	96.7	Very high	97.2	Very high	69 Å²	69	18.5 Å²	18.5	26%	0.26	10%	0.1	S	C	.	.	H	α-helix	trans	-62.9	-39.4	175.5	177.9	165.8	49.9	73	7	112.5	E134 S135 Q140 G141 T144 D162	E134-R138 WeakPolarHBondContact O-CB 3.45Å; E134-R138 PolarHBondContact O-N 3.42Å; E134-R138 WeakPolarHBondContact OE1-CD 3.47Å; E134-R138 IonicContact OE1-CZ 2.73Å; E134-R138 IonicContact OE1-NE 3.83Å; E134-R138 PolarHBondContact OE1-NE 2.81Å; E134-R138 IonicContact OE2-CZ 3.3Å; E134-R138 IonicContact OE2-NE 3.1Å; E134-R138 IonicContact OE2-NH2 2.64Å; E134-R138 PolarHBondContact OE2-NH2 2.67Å; S135-R138 PolarHBondContact O-N 3.46Å; R138-Q140 PolarHBondContact O-N 3.12Å; R138-G141 WeakPolarHBondContact O-CA 3.18Å; R138-G141 PolarHBondContact O-N 3.47Å; R138-T144 HydrophobicContact CB-CG2 4.04Å; R138-D162 VanDerWaalsContact CD-O 3.27Å; R138-D162 WeakPolarHBondContact CD-O 3.33Å; R138-D162 PolarHBondContact NE-O 2.93Å
139	H	94.9	Very high	97	Very high	56 Å²	56	19 Å²	19	26%	0.259	10%	0.104	S	C	.	.	H	α-helix	trans	-69.7	-16.9	175.7	-75	77	0	0	0	113.1	S135 L136 L137 G358	S135-H139 PolarHBondContact O-N 2.75Å; S135-H139 PolarHBondContact O-ND1 3.02Å; S135-H139 PolarHBondContact OG-CE1 2.97Å; S135-H139 PolarHBondContact OG-ND1 2.93Å; L136-H139 PolarHBondContact O-N 2.73Å; L137-H139 VanDerWaalsContact C-N 3.34Å; L137-H139 PolarHBondContact O-N 2.73Å; H139-G358 VanDerWaalsContact CG-CA 3.41Å; H139-G358 WeakPolarHBondContact ND1-CA 3.49Å
140	Q	93.5	Very high	96.6	Very high	42 Å²	42	21.4 Å²	21.4	20%	0.196	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	4.7	168.8	-62.7	-70	-32.9	0	0	112.7	L136 L137 R138 F142 L336 Q354 L355	L136-Q140 VanDerWaalsContact O-CG 3.31Å; L136-Q140 WeakPolarHBondContact O-CG 3.5Å; L136-Q140 PolarHBondContact O-N 2.95Å; L137-Q140 CarbonylContact O-C 3.2Å; L137-Q140 WeakPolarHBondContact O-CA 3.27Å; L137-Q140 WeakPolarHBondContact O-CB 3.26Å; L137-Q140 PolarHBondContact O-N 3.26Å; L137-Q140 VanDerWaalsContact O-N 3.08Å; R138-Q140 PolarHBondContact O-N 3.12Å; Q140-F142 HydrophobicContact CB-CD2 3.83Å; Q140-F142 HydrophobicContact CB-CE2 3.82Å; Q140-L336 HydrophobicContact CB-CD2 4.23Å; Q140-L336 HydrophobicContact CG-CD1 4Å; Q140-L336 HydrophobicContact CG-CD2 4.47Å; Q140-Q354 VanDerWaalsContact NE2-CB 3.35Å; Q140-L355 HydrophobicContact CG-CD2 4.29Å
141	G	94.1	Very high	96.2	Very high	70 Å²	70	22 Å²	22	72%	0.722	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.9	12.7	173.3	0	0	0	0	0	115.3	L137 R138	L137-G141 PolarHBondContact O-N 2.88Å; R138-G141 WeakPolarHBondContact O-CA 3.18Å; R138-G141 PolarHBondContact O-N 3.47Å
142	F	96.3	Very high	95.8	Very high	27 Å²	27	22.6 Å²	22.6	12%	0.118	12%	0.124	C	C	.	.			trans	-85.9	146.7	176.5	-64.7	-86.2	0	0	0	111.7	L137 Q140 T144 D213 W335 L336 K341	L137-F142 WeakPolarHBondContact O-CD2 3.4Å; L137-F142 PolarHBondContact O-N 2.79Å; Q140-F142 HydrophobicContact CB-CD2 3.83Å; Q140-F142 HydrophobicContact CB-CE2 3.82Å; F142-T144 PolarHBondContact O-N 3.34Å; F142-D213 HydrophobicContact CB-CB 4.35Å; F142-D213 HydrophobicContact CD1-CB 4.09Å; F142-W335 AromaticContact CD1-CH2 3.58Å; F142-W335 HydrophobicContact CD1-CH2 3.58Å; F142-W335 AromaticContact CD1-CZ3 3.71Å; F142-W335 HydrophobicContact CD1-CZ3 3.71Å; F142-W335 HydrophobicContact CD2-CZ3 4.09Å; F142-W335 AromaticContact CE1-CH2 3.73Å; F142-W335 HydrophobicContact CE1-CH2 3.73Å; F142-W335 AromaticContact CE1-CZ3 3.7Å; F142-W335 HydrophobicContact CE1-CZ3 3.7Å; F142-W335 HydrophobicContact CE2-CZ3 4.14Å; F142-W335 HydrophobicContact CG-CH2 4.12Å; F142-W335 AromaticContact CG-CZ3 3.89Å; F142-W335 HydrophobicContact CG-CZ3 3.89Å; F142-W335 HydrophobicContact CZ-CH2 4.42Å; F142-W335 AromaticContact CZ-CZ3 3.93Å; F142-W335 HydrophobicContact CZ-CZ3 3.93Å; F142-L336 HydrophobicContact CD2-CD2 3.92Å; F142-L336 HydrophobicContact CE2-CD2 3.15Å; F142-L336 HydrophobicContact CZ-CD2 3.68Å; F142-K341 HydrophobicContact CE1-CG 4.3Å; F142-K341 HydrophobicContact CZ-CB 4.3Å; F142-K341 HydrophobicContact CZ-CD 4.27Å; F142-K341 HydrophobicContact CZ-CG 3.84Å
143	R	97.8	Very high	95.2	Very high	89 Å²	89	22.7 Å²	22.7	34%	0.336	13%	0.125	S	C	.	.			trans	-79	115.7	169.6	-166.3	174.3	-172.3	173.4	-6.8	109.4	D162 E210 V212 D213 V214	R143-D162 VanDerWaalsContact CA-OD1 3.28Å; R143-D162 WeakPolarHBondContact CA-OD1 3.37Å; R143-D162 WeakPolarHBondContact CG-OD1 3.17Å; R143-E210 PolarHBondContact NE-O 3.03Å; R143-E210 VanDerWaalsContact NE-O 3.08Å; R143-E210 PolarHBondContact NH1-O 2.96Å; R143-E210 PolarHBondContact NH2-O 2.94Å; R143-E210 VanDerWaalsContact NH2-O 3.07Å; R143-E210 IonicContact NH2-OE2 3.81Å; R143-E210 PolarHBondContact NH2-OE2 2.85Å; R143-V212 HydrophobicContact CG-CG1 4.36Å; R143-D213 PolarHBondContact N-OD2 2.92Å; R143-D213 PolarHBondContact O-N 3.46Å; R143-V214 PolarHBondContact O-N 2.82Å
144	T	98.4	Very high	94.8	Very high	1 Å²	1	25 Å²	25	1%	0.006	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	134.7	-170.1	54.5	0	0	0	0	111.6	E134 L137 R138 F142 I161 D162 V214	E134-T144 HydrophobicContact CG-CG2 4.45Å; E134-T144 PolarHBondContact OE1-OG1 3.36Å; L137-T144 HydrophobicContact CB-CG2 3.98Å; R138-T144 HydrophobicContact CB-CG2 4.04Å; F142-T144 PolarHBondContact O-N 3.34Å; T144-I161 WeakPolarHBondContact O-CA 3.42Å; T144-D162 PolarHBondContact N-OD1 2.9Å; T144-D162 PolarHBondContact O-N 3.32Å; T144-D162 WeakPolarHBondContact OG1-CA 3.25Å; T144-V214 HydrophobicContact CG2-CG1 4.02Å
145	G	98.4	Very high	94.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	142.5	159.8	0	0	0	0	0	109.9	V214 V215 V216	G145-V214 PolarHBondContact N-O 3.17Å; G145-V215 CarbonylContact O-C 3.55Å; G145-V215 VanDerWaalsContact O-CA 3.31Å; G145-V215 WeakPolarHBondContact O-CA 3.08Å; G145-V216 PolarHBondContact O-N 3.04Å
146	F	98.1	Very high	94.1	Very high	4 Å²	4	24.9 Å²	24.9	2%	0.018	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	125.7	175.9	167.1	-87.7	0	0	0	110.4	C130 A131 E134 S148 I159 R160 V216 W364	C130-F146 HydrophobicContact CB-CD2 4.04Å; C130-F146 HydrophobicContact CB-CE2 3.41Å; C130-F146 VanDerWaalsContact CB-CE2 3.41Å; C130-F146 HydrophobicContact CB-CZ 4.37Å; A131-F146 HydrophobicContact CB-CE2 4.32Å; A131-F146 HydrophobicContact CB-CZ 4.49Å; E134-F146 HydrophobicContact CB-CD2 4.12Å; E134-F146 HydrophobicContact CG-CB 3.97Å; E134-F146 HydrophobicContact CG-CD2 4.4Å; F146-S148 WeakPolarHBondContact CE1-OG 3.47Å; F146-S148 VanDerWaalsContact CZ-CB 3.49Å; F146-I159 WeakPolarHBondContact O-CA 3.44Å; F146-R160 HydrophobicContact CB-CB 4.14Å; F146-R160 HydrophobicContact CD1-CB 3.97Å; F146-R160 HydrophobicContact CD1-CG 3.88Å; F146-R160 HydrophobicContact CE1-CG 4.48Å; F146-R160 PolarHBondContact N-O 3.14Å; F146-R160 PolarHBondContact O-N 2.79Å; F146-V216 HydrophobicContact CD2-CB 4.39Å; F146-W364 AromaticContact CE1-CH2 3.84Å; F146-W364 HydrophobicContact CE1-CH2 3.84Å; F146-W364 AromaticContact CE1-CZ3 3.56Å; F146-W364 HydrophobicContact CE1-CZ3 3.56Å; F146-W364 HydrophobicContact CZ-CE3 4.21Å; F146-W364 AromaticContact CZ-CH2 3.55Å; F146-W364 HydrophobicContact CZ-CH2 3.55Å; F146-W364 HydrophobicContact CZ-CZ2 4.44Å; F146-W364 AromaticContact CZ-CZ3 3.39Å; F146-W364 HydrophobicContact CZ-CZ3 3.39Å
147	F	98.2	Very high	93.9	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.009	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	126.7	178.5	-171.9	-97.4	0	0	0	110.1	R158 I159 F196 L199 F207 V216 L217 E218 T228	F147-R158 CarbonylContact C-O 3.55Å; F147-R158 VanDerWaalsContact CA-O 3.25Å; F147-R158 WeakPolarHBondContact CA-O 3.46Å; F147-I159 HydrophobicContact CD2-CG1 4.04Å; F147-I159 HydrophobicContact CE2-CG1 4.2Å; F147-F196 AromaticContact CE1-CE2 3.91Å; F147-F196 HydrophobicContact CE1-CE2 3.91Å; F147-F196 AromaticContact CE1-CZ 3.91Å; F147-F196 HydrophobicContact CE1-CZ 3.91Å; F147-F196 HydrophobicContact CZ-CE2 4.2Å; F147-L199 HydrophobicContact CE2-CB 4.49Å; F147-L199 WeakPolarHBondContact CE2-O 3.19Å; F147-L199 HydrophobicContact CZ-CB 4.36Å; F147-F207 HydrophobicContact CB-CE2 4.02Å; F147-F207 HydrophobicContact CB-CZ 4Å; F147-V216 PolarHBondContact N-O 3.19Å; F147-L217 HydrophobicContact CB-CD1 3.73Å; F147-L217 HydrophobicContact CD1-CD1 3.71Å; F147-L217 HydrophobicContact CG-CD1 3.95Å; F147-E218 WeakPolarHBondContact O-CB 3.39Å; F147-E218 PolarHBondContact O-N 3.3Å; F147-T228 HydrophobicContact CD1-CG2 4.36Å; F147-T228 HydrophobicContact CE1-CG2 4.14Å
148	S	95.4	Very high	93.8	Very high	2 Å²	2	26 Å²	26	1%	0.014	14%	0.139	C	C	.	.			trans	-142	163.6	-174.3	63.4	0	0	0	0	115.4	F146 R158 E218	F146-S148 WeakPolarHBondContact CE1-OG 3.47Å; F146-S148 VanDerWaalsContact CZ-CB 3.49Å; S148-R158 PolarHBondContact N-O 3.45Å; S148-R158 WeakPolarHBondContact O-CB 3.35Å; S148-R158 WeakPolarHBondContact O-CG 3.45Å; S148-E218 WeakPolarHBondContact CA-OE2 3.28Å; S148-E218 WeakPolarHBondContact CB-OE2 3.17Å
149	S	91.5	Very high	93.9	Very high	21 Å²	21	22.8 Å²	22.8	15%	0.147	13%	0.127	C	C	.	.	S	Bend	trans	-155.3	151.2	174.9	67.5	0	0	0	0	114.4	E218	S149-E218 PolarHBondContact N-OE2 3.35Å
150	P	90.6	Very high	94	Very high	49 Å²	49	20.9 Å²	20.9	32%	0.318	12%	0.117	S	C	.	.	S	Bend	cis	-73.7	171.2	-17.8	33.9	-35.3	0	0	0	112.4	I520	P150-I520 HydrophobicContact CG-CB 4.37Å; P150-I520 HydrophobicContact CG-CD1 3.75Å; P150-I520 HydrophobicContact CG-CG2 4.16Å
151	H	91.1	Very high	94.2	Very high	13 Å²	13	19.7 Å²	19.7	6%	0.06	11%	0.112	C	C	.	.			trans	-79.6	163.1	167.2	54.7	-109.5	0	0	0	111.5	F154 T155 E157 R158 Y195 S450 I520	H151-F154 VanDerWaalsContact CB-O 3.23Å; H151-F154 WeakPolarHBondContact CB-O 3.18Å; H151-T155 PolarHBondContact CE1-OG1 2.88Å; H151-T155 VanDerWaalsContact CE1-OG1 3.32Å; H151-E157 HydrophobicContact CB-CB 4.05Å; H151-R158 HydrophobicContact CB-CG 4.03Å; H151-R158 PolarHBondContact ND1-NE 2.89Å; H151-Y195 PolarHBondContact CE1-OH 2.86Å; H151-S450 PolarHBondContact NE2-O 3.42Å; H151-S450 VanDerWaalsContact NE2-O 3.14Å; H151-I520 WeakPolarHBondContact O-CG2 3.33Å
152	I	88.8	Confident	94.3	Very high	18 Å²	18	19.1 Å²	19.1	9%	0.092	9%	0.093	C	C	.	.	S	Bend	trans	-91.3	-54	174.7	-53.8	-173.9	0	0	0	110.7	E157 P365 I520 L523 G524 I527	I152-E157 PolarHBondContact N-OE2 2.75Å; I152-P365 HydrophobicContact CD1-CB 3.62Å; I152-P365 WeakPolarHBondContact CD1-O 3.01Å; I152-I520 HydrophobicContact CB-CG2 4.46Å; I152-I520 HydrophobicContact CG1-CG2 3.99Å; I152-L523 HydrophobicContact CG2-CB 4.1Å; I152-G524 VanDerWaalsContact O-CA 3.32Å; I152-G524 WeakPolarHBondContact O-CA 3.27Å; I152-I527 HydrophobicContact CG2-CD1 4.16Å
153	L	86.1	Confident	94.1	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	9%	0.092	C	C	.	.	S	Bend	trans	-119.4	-51.6	-173.3	-76.3	163.5	0	0	0	112.8	A31 L35 E157 S450 G524 I527 S528	A31-L153 HydrophobicContact CB-CD1 3.77Å; L35-L153 HydrophobicContact CD1-CB 4.13Å; L35-L153 HydrophobicContact CD1-CD1 3.76Å; L35-L153 HydrophobicContact CD2-CD1 4.24Å; L35-L153 HydrophobicContact CG-CD1 3.93Å; L153-E157 WeakPolarHBondContact CA-OE1 3.05Å; L153-E157 VanDerWaalsContact CB-OE1 3.3Å; L153-E157 WeakPolarHBondContact CB-OE1 3.32Å; L153-E157 PolarHBondContact N-OE1 3.46Å; L153-S450 WeakPolarHBondContact O-CB 3.38Å; L153-G524 WeakPolarHBondContact CD2-O 3.19Å; L153-I527 HydrophobicContact CD1-CB 4.27Å; L153-I527 HydrophobicContact CD1-CD1 4.03Å; L153-I527 HydrophobicContact CD1-CG2 3.76Å; L153-I527 HydrophobicContact CD2-CB 4.2Å; L153-I527 HydrophobicContact CD2-CG2 4.26Å; L153-I527 HydrophobicContact CG-CD1 4.42Å; L153-S528 WeakPolarHBondContact CD2-OG 3.49Å
154	F	88.9	Confident	93.9	Very high	50 Å²	50	18.6 Å²	18.6	22%	0.219	10%	0.097	C	C	.	.			trans	-118.8	138.3	-171.6	-49.9	-63.7	0	0	0	111.7	A31 L35 H151 N156 E157	A31-F154 HydrophobicContact CB-CE2 4.49Å; A31-F154 HydrophobicContact CB-CZ 4.42Å; L35-F154 HydrophobicContact CD1-CD2 3.38Å; L35-F154 HydrophobicContact CD1-CE2 3.45Å; L35-F154 VanDerWaalsContact CD1-CE2 3.45Å; H151-F154 VanDerWaalsContact CB-O 3.23Å; H151-F154 WeakPolarHBondContact CB-O 3.18Å; F154-N156 VanDerWaalsContact C-N 3.27Å; F154-N156 WeakPolarHBondContact CB-OD1 3.47Å; F154-N156 PolarHBondContact O-N 3.33Å; F154-E157 HydrophobicContact CB-CG 4.28Å; F154-E157 PolarHBondContact N-OE1 3.27Å; F154-E157 WeakPolarHBondContact O-CB 3.31Å; F154-E157 VanDerWaalsContact O-CG 3.25Å; F154-E157 WeakPolarHBondContact O-CG 3.37Å; F154-E157 PolarHBondContact O-N 2.85Å
155	T	90.5	Very high	93.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-63.1	-33.1	-177	-63.6	0	0	0	0	113.6	I70 L73 H151 E157 R158 F171 Y195 L199 S450	I70-T155 HydrophobicContact CD1-CG2 4.05Å; L73-T155 HydrophobicContact CD2-CG2 3.7Å; H151-T155 PolarHBondContact CE1-OG1 2.88Å; H151-T155 VanDerWaalsContact CE1-OG1 3.32Å; T155-E157 PolarHBondContact O-N 2.97Å; T155-R158 WeakPolarHBondContact O-CB 3.03Å; T155-R158 WeakPolarHBondContact O-CG 3.37Å; T155-R158 PolarHBondContact O-N 3.31Å; T155-F171 HydrophobicContact CG2-CE2 4.34Å; T155-F171 HydrophobicContact CG2-CZ 4.14Å; T155-Y195 WeakPolarHBondContact CG2-OH 3.49Å; T155-Y195 PolarHBondContact OG1-OH 3.08Å; T155-L199 HydrophobicContact CG2-CD1 4.19Å; T155-L199 HydrophobicContact CG2-CD2 3.96Å; T155-S450 PolarHBondContact N-OG 3.37Å
156	N	92.9	Very high	93.5	Very high	9 Å²	9	20.5 Å²	20.5	5%	0.048	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-67.3	-9	176.2	62	-38.4	0	0	0	113.6	F66 F154 R158 I159 L166 F171	F66-N156 HydrophobicContact CE2-CB 4.07Å; F66-N156 HydrophobicContact CZ-CB 4.19Å; F154-N156 VanDerWaalsContact C-N 3.27Å; F154-N156 WeakPolarHBondContact CB-OD1 3.47Å; F154-N156 PolarHBondContact O-N 3.33Å; N156-R158 PolarHBondContact O-N 2.92Å; N156-I159 PolarHBondContact O-N 2.8Å; N156-L166 PolarHBondContact ND2-O 3Å; N156-F171 HydrophobicContact CB-CB 4.32Å; N156-F171 HydrophobicContact CB-CD2 3.73Å; N156-F171 HydrophobicContact CB-CE2 4.36Å; N156-F171 HydrophobicContact CB-CG 4.15Å
157	E	93	Very high	93.4	Very high	4 Å²	4	22.8 Å²	22.8	2%	0.019	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-62.8	-25.5	169.9	-70.1	168.6	-147.4	0	0	113.5	L35 H151 I152 L153 F154 T155 I159 R160 L165	L35-E157 HydrophobicContact CD1-CG 4.5Å; L35-E157 WeakPolarHBondContact CD1-OE1 3.33Å; L35-E157 HydrophobicContact CD2-CG 4.34Å; L35-E157 WeakPolarHBondContact CD2-OE1 3.34Å; H151-E157 HydrophobicContact CB-CB 4.05Å; I152-E157 PolarHBondContact N-OE2 2.75Å; L153-E157 WeakPolarHBondContact CA-OE1 3.05Å; L153-E157 VanDerWaalsContact CB-OE1 3.3Å; L153-E157 WeakPolarHBondContact CB-OE1 3.32Å; L153-E157 PolarHBondContact N-OE1 3.46Å; F154-E157 HydrophobicContact CB-CG 4.28Å; F154-E157 PolarHBondContact N-OE1 3.27Å; F154-E157 WeakPolarHBondContact O-CB 3.31Å; F154-E157 VanDerWaalsContact O-CG 3.25Å; F154-E157 WeakPolarHBondContact O-CG 3.37Å; F154-E157 PolarHBondContact O-N 2.85Å; T155-E157 PolarHBondContact O-N 2.97Å; E157-I159 PolarHBondContact O-N 3.11Å; E157-R160 WeakPolarHBondContact O-CG 3.39Å; E157-R160 PolarHBondContact O-NE 3.15Å; E157-L165 HydrophobicContact CB-CD2 4.43Å; E157-L165 HydrophobicContact CG-CD2 3.47Å; E157-L165 VanDerWaalsContact CG-CD2 3.47Å; E157-L165 HydrophobicContact CG-CG 4.01Å
158	R	95.6	Very high	93.2	Very high	20 Å²	20	25.4 Å²	25.4	8%	0.075	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-68.7	-18.6	-178.4	-64.2	178	175.9	-89.7	-4.4	112.8	F147 S148 H151 T155 N156	F147-R158 CarbonylContact C-O 3.55Å; F147-R158 VanDerWaalsContact CA-O 3.25Å; F147-R158 WeakPolarHBondContact CA-O 3.46Å; S148-R158 PolarHBondContact N-O 3.45Å; S148-R158 WeakPolarHBondContact O-CB 3.35Å; S148-R158 WeakPolarHBondContact O-CG 3.45Å; H151-R158 HydrophobicContact CB-CG 4.03Å; H151-R158 PolarHBondContact ND1-NE 2.89Å; T155-R158 WeakPolarHBondContact O-CB 3.03Å; T155-R158 WeakPolarHBondContact O-CG 3.37Å; T155-R158 PolarHBondContact O-N 3.31Å; N156-R158 PolarHBondContact O-N 2.92Å
159	I	97.8	Very high	93.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	115.2	179.2	-57.1	166.2	0	0	0	106.9	F146 F147 N156 E157 L166 L202 V206 F207	F146-I159 WeakPolarHBondContact O-CA 3.44Å; F147-I159 HydrophobicContact CD2-CG1 4.04Å; F147-I159 HydrophobicContact CE2-CG1 4.2Å; N156-I159 PolarHBondContact O-N 2.8Å; E157-I159 PolarHBondContact O-N 3.11Å; I159-L166 HydrophobicContact CB-CB 4.41Å; I159-L166 HydrophobicContact CB-CD2 4.46Å; I159-L166 HydrophobicContact CG2-CB 4.42Å; I159-L166 HydrophobicContact CG2-CD2 4.22Å; I159-L166 WeakPolarHBondContact O-CB 3.32Å; I159-L166 PolarHBondContact O-N 3.31Å; I159-L202 HydrophobicContact CD1-CD2 4.2Å; I159-L202 HydrophobicContact CD1-CG 4.09Å; I159-V206 HydrophobicContact CG2-CB 4.14Å; I159-V206 HydrophobicContact CG2-CG1 3.8Å; I159-V206 HydrophobicContact CG2-CG2 4.49Å; I159-F207 HydrophobicContact CG2-CE1 3.78Å; I159-F207 HydrophobicContact CG2-CZ 3.96Å
160	R	97	Very high	93.4	Very high	16 Å²	16	32.5 Å²	32.5	6%	0.06	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	145.7	178.3	-58	-176.5	-175.4	-171.8	-3.9	111.1	F146 E157 Q164	F146-R160 HydrophobicContact CB-CB 4.14Å; F146-R160 HydrophobicContact CD1-CB 3.97Å; F146-R160 HydrophobicContact CD1-CG 3.88Å; F146-R160 HydrophobicContact CE1-CG 4.48Å; F146-R160 PolarHBondContact N-O 3.14Å; F146-R160 PolarHBondContact O-N 2.79Å; E157-R160 WeakPolarHBondContact O-CG 3.39Å; E157-R160 PolarHBondContact O-NE 3.15Å; R160-Q164 CarbonylContact C-O 3.5Å; R160-Q164 WeakPolarHBondContact CA-O 3.25Å; R160-Q164 WeakPolarHBondContact CB-O 3.26Å
161	I	97.8	Very high	93.7	Very high	18 Å²	18	30.2 Å²	30.2	9%	0.092	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	124.4	173.2	-55	-64.7	0	0	0	106.9	T144 G163 Q164 L166 V206 F207 E210 V212	T144-I161 WeakPolarHBondContact O-CA 3.42Å; I161-G163 VanDerWaalsContact C-N 3.28Å; I161-G163 PolarHBondContact O-N 3.41Å; I161-Q164 PolarHBondContact N-O 3.1Å; I161-Q164 WeakPolarHBondContact O-CB 3.46Å; I161-Q164 PolarHBondContact O-N 3.49Å; I161-L166 HydrophobicContact CG1-CD1 4.5Å; I161-V206 HydrophobicContact CD1-CG1 4.16Å; I161-V206 HydrophobicContact CG1-CG1 4.44Å; I161-F207 HydrophobicContact CD1-CD1 3.75Å; I161-F207 HydrophobicContact CD1-CE1 4Å; I161-E210 HydrophobicContact CD1-CB 3.98Å; I161-E210 HydrophobicContact CD1-CG 3.94Å; I161-E210 HydrophobicContact CG1-CB 4.48Å; I161-E210 HydrophobicContact CG1-CG 4.04Å; I161-V212 HydrophobicContact CD1-CG1 3.83Å
162	D	96.4	Very high	94	Very high	57 Å²	57	30.2 Å²	30.2	31%	0.305	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	44.6	179.8	-55.3	-37.3	0	0	0	113.4	R138 R143 T144 Q164	R138-D162 VanDerWaalsContact CD-O 3.27Å; R138-D162 WeakPolarHBondContact CD-O 3.33Å; R138-D162 PolarHBondContact NE-O 2.93Å; R143-D162 VanDerWaalsContact CA-OD1 3.28Å; R143-D162 WeakPolarHBondContact CA-OD1 3.37Å; R143-D162 WeakPolarHBondContact CG-OD1 3.17Å; T144-D162 PolarHBondContact N-OD1 2.9Å; T144-D162 PolarHBondContact O-N 3.32Å; T144-D162 WeakPolarHBondContact OG1-CA 3.25Å; D162-Q164 PolarHBondContact O-N 2.95Å
163	G	92.8	Very high	94.4	Very high	11 Å²	11	35.5 Å²	35.5	11%	0.113	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	-5.3	-178	0	0	0	0	0	115.4	E134 I161	E134-G163 PolarHBondContact OE1-N 2.81Å; E134-G163 VanDerWaalsContact OE1-N 3.08Å; I161-G163 VanDerWaalsContact C-N 3.28Å; I161-G163 PolarHBondContact O-N 3.41Å
164	Q	93.3	Very high	95	Very high	95 Å²	95	36.4 Å²	36.4	44%	0.444	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	144.4	-179.9	-57.9	-57.9	-47.2	0	0	111.8	R160 I161 D162	R160-Q164 CarbonylContact C-O 3.5Å; R160-Q164 WeakPolarHBondContact CA-O 3.25Å; R160-Q164 WeakPolarHBondContact CB-O 3.26Å; I161-Q164 PolarHBondContact N-O 3.1Å; I161-Q164 WeakPolarHBondContact O-CB 3.46Å; I161-Q164 PolarHBondContact O-N 3.49Å; D162-Q164 PolarHBondContact O-N 2.95Å
165	L	93.8	Very high	95.4	Very high	34 Å²	34	34 Å²	34	18%	0.178	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	140.7	172.4	-69.1	65.8	0	0	0	109.7	L35 E157 S167	L35-L165 HydrophobicContact CD1-CD2 4.28Å; E157-L165 HydrophobicContact CB-CD2 4.43Å; E157-L165 HydrophobicContact CG-CD2 3.47Å; E157-L165 VanDerWaalsContact CG-CD2 3.47Å; E157-L165 HydrophobicContact CG-CG 4.01Å; L165-S167 PolarHBondContact O-N 2.91Å
166	L	95.1	Very high	95.8	Very high	6 Å²	6	37.2 Å²	37.2	3%	0.031	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-58.4	129.9	172.7	-173.8	66.2	0	0	0	109.7	N156 I159 I161 K170 F171 V206	N156-L166 PolarHBondContact ND2-O 3Å; I159-L166 HydrophobicContact CB-CB 4.41Å; I159-L166 HydrophobicContact CB-CD2 4.46Å; I159-L166 HydrophobicContact CG2-CB 4.42Å; I159-L166 HydrophobicContact CG2-CD2 4.22Å; I159-L166 WeakPolarHBondContact O-CB 3.32Å; I159-L166 PolarHBondContact O-N 3.31Å; I161-L166 HydrophobicContact CG1-CD1 4.5Å; L166-K170 HydrophobicContact CD1-CB 3.74Å; L166-K170 HydrophobicContact CD1-CD 4.05Å; L166-K170 HydrophobicContact CG-CB 4.08Å; L166-F171 HydrophobicContact CD2-CB 3.9Å; L166-F171 HydrophobicContact CD2-CD2 4.13Å; L166-F171 HydrophobicContact CD2-CG 4.49Å; L166-F171 HydrophobicContact CG-CB 4.32Å; L166-V206 HydrophobicContact CD1-CG1 3.75Å; L166-V206 HydrophobicContact CD2-CB 4.48Å; L166-V206 HydrophobicContact CD2-CG1 4.01Å; L166-V206 HydrophobicContact CD2-CG2 3.67Å
167	S	94.6	Very high	96.1	Very high	53 Å²	53	42.4 Å²	42.4	37%	0.371	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-60.4	150.4	-179.6	71.8	0	0	0	0	111.4	L165 D169 K170 F171	L165-S167 PolarHBondContact O-N 2.91Å; S167-D169 PolarHBondContact O-N 2.89Å; S167-K170 PolarHBondContact O-N 3.28Å; S167-K170 WeakPolarHBondContact OG-CB 3.38Å; S167-K170 WeakPolarHBondContact OG-CG 3.48Å; S167-K170 PolarHBondContact OG-N 3.01Å; S167-F171 WeakPolarHBondContact O-CB 3.22Å; S167-F171 PolarHBondContact O-N 3.25Å
168	K	94.1	Very high	96.3	Very high	56 Å²	56	42.2 Å²	42.2	24%	0.243	21%	0.205	C	C	.	.	H	α-helix	trans	-57.4	-38.6	179.7	-69.4	-173.3	-177	-174.3	0	112	T62 N63 F66 T172	T62-K168 HydrophobicContact CG2-CB 4.03Å; N63-K168 WeakPolarHBondContact OD1-CD 3.47Å; N63-K168 WeakPolarHBondContact OD1-CE 3.43Å; N63-K168 PolarHBondContact OD1-NZ 2.96Å; F66-K168 HydrophobicContact CB-CB 3.98Å; F66-K168 HydrophobicContact CB-CD 4.23Å; F66-K168 HydrophobicContact CB-CG 4.33Å; F66-K168 HydrophobicContact CD1-CD 3.77Å; F66-K168 HydrophobicContact CD1-CG 3.98Å; F66-K168 HydrophobicContact CD2-CB 3.83Å; F66-K168 HydrophobicContact CD2-CG 3.89Å; F66-K168 HydrophobicContact CE1-CD 4.23Å; F66-K168 HydrophobicContact CE1-CG 4.23Å; F66-K168 HydrophobicContact CE2-CB 4.46Å; F66-K168 HydrophobicContact CE2-CG 4.15Å; F66-K168 HydrophobicContact CG-CB 3.85Å; F66-K168 HydrophobicContact CG-CD 3.91Å; F66-K168 HydrophobicContact CG-CG 3.79Å; F66-K168 HydrophobicContact CZ-CG 4.3Å; K168-T172 VanDerWaalsContact O-CB 3.29Å; K168-T172 WeakPolarHBondContact O-CB 3.24Å; K168-T172 PolarHBondContact O-N 2.55Å; K168-T172 PolarHBondContact O-OG1 2.98Å
169	D	95.4	Very high	96.4	Very high	88 Å²	88	41.8 Å²	41.8	47%	0.471	20%	0.203	S	C	.	.	H	α-helix	trans	-63.6	-53.2	176.7	-64.5	-45.7	0	0	0	111.9	T62 S167 F171 T172 E173	T62-D169 VanDerWaalsContact CB-OD1 3.31Å; T62-D169 WeakPolarHBondContact CB-OD1 3.19Å; T62-D169 WeakPolarHBondContact CG2-OD1 3.09Å; T62-D169 PolarHBondContact OG1-OD1 2.95Å; S167-D169 PolarHBondContact O-N 2.89Å; D169-F171 VanDerWaalsContact C-N 3.3Å; D169-F171 PolarHBondContact O-N 3.23Å; D169-T172 PolarHBondContact O-N 2.66Å; D169-T172 VanDerWaalsContact O-N 3.11Å; D169-E173 WeakPolarHBondContact O-CB 3.15Å; D169-E173 PolarHBondContact O-N 3.43Å
170	K	96.3	Very high	96.4	Very high	85 Å²	85	45.2 Å²	45.2	37%	0.37	22%	0.222	S	C	.	.	H	α-helix	trans	-61	-40.8	179.3	-73.6	-175.4	174.6	-166.8	0	111.6	L166 S167 Q174 E210	L166-K170 HydrophobicContact CD1-CB 3.74Å; L166-K170 HydrophobicContact CD1-CD 4.05Å; L166-K170 HydrophobicContact CG-CB 4.08Å; S167-K170 PolarHBondContact O-N 3.28Å; S167-K170 WeakPolarHBondContact OG-CB 3.38Å; S167-K170 WeakPolarHBondContact OG-CG 3.48Å; S167-K170 PolarHBondContact OG-N 3.01Å; K170-Q174 WeakPolarHBondContact O-CB 3.23Å; K170-Q174 WeakPolarHBondContact O-CG 3.5Å; K170-Q174 PolarHBondContact O-N 3.18Å; K170-E210 WeakPolarHBondContact CD-OE1 3.37Å; K170-E210 WeakPolarHBondContact CE-OE1 3.24Å; K170-E210 VanDerWaalsContact NZ-CD 3.25Å; K170-E210 IonicContact NZ-OE1 2.72Å; K170-E210 PolarHBondContact NZ-OE1 2.89Å; K170-E210 IonicContact NZ-OE2 3.66Å; K170-E210 PolarHBondContact NZ-OE2 3.26Å
171	F	97.4	Very high	96.5	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-59.3	-49.2	174.3	-176.6	-80.2	0	0	0	110.8	F66 I70 L73 T155 N156 L166 S167 D169 Q174 F175 L199 L202	F66-F171 HydrophobicContact CD2-CB 4.34Å; F66-F171 AromaticContact CD2-CD1 3.84Å; F66-F171 HydrophobicContact CD2-CD1 3.84Å; F66-F171 HydrophobicContact CD2-CG 4.31Å; F66-F171 HydrophobicContact CE2-CB 4.11Å; F66-F171 AromaticContact CE2-CD1 3.58Å; F66-F171 HydrophobicContact CE2-CD1 3.58Å; F66-F171 HydrophobicContact CE2-CE1 4.16Å; F66-F171 AromaticContact CE2-CG 3.83Å; F66-F171 HydrophobicContact CE2-CG 3.83Å; I70-F171 HydrophobicContact CD1-CD1 4.4Å; I70-F171 HydrophobicContact CD1-CE1 3.57Å; I70-F171 HydrophobicContact CD1-CZ 3.8Å; L73-F171 HydrophobicContact CD2-CZ 4.23Å; T155-F171 HydrophobicContact CG2-CE2 4.34Å; T155-F171 HydrophobicContact CG2-CZ 4.14Å; N156-F171 HydrophobicContact CB-CB 4.32Å; N156-F171 HydrophobicContact CB-CD2 3.73Å; N156-F171 HydrophobicContact CB-CE2 4.36Å; N156-F171 HydrophobicContact CB-CG 4.15Å; L166-F171 HydrophobicContact CD2-CB 3.9Å; L166-F171 HydrophobicContact CD2-CD2 4.13Å; L166-F171 HydrophobicContact CD2-CG 4.49Å; L166-F171 HydrophobicContact CG-CB 4.32Å; S167-F171 WeakPolarHBondContact O-CB 3.22Å; S167-F171 PolarHBondContact O-N 3.25Å; D169-F171 VanDerWaalsContact C-N 3.3Å; D169-F171 PolarHBondContact O-N 3.23Å; F171-Q174 PolarHBondContact O-N 3.25Å; F171-F175 HydrophobicContact CD1-CB 4.29Å; F171-F175 HydrophobicContact CE1-CB 4.13Å; F171-F175 HydrophobicContact CE1-CD2 4.21Å; F171-F175 HydrophobicContact CE1-CG 4.39Å; F171-F175 WeakPolarHBondContact O-CA 3.31Å; F171-F175 WeakPolarHBondContact O-CB 3.23Å; F171-F175 PolarHBondContact O-N 2.98Å; F171-L199 HydrophobicContact CE2-CD2 4.23Å; F171-L199 HydrophobicContact CZ-CD2 4.28Å; F171-L202 HydrophobicContact CD2-CD2 4.17Å; F171-L202 HydrophobicContact CE1-CD2 4.42Å; F171-L202 HydrophobicContact CE2-CD2 3.62Å; F171-L202 HydrophobicContact CZ-CD2 3.76Å
172	T	97.4	Very high	96.4	Very high	14 Å²	14	49.3 Å²	49.3	9%	0.086	24%	0.236	C	C	.	.	H	α-helix	trans	-64.3	-44	-176.8	-58.2	0	0	0	0	111.6	A65 F66 A69 K168 D169 F175 W176	A65-T172 HydrophobicContact CB-CG2 3.96Å; F66-T172 VanDerWaalsContact CA-OG1 3.28Å; F66-T172 WeakPolarHBondContact CA-OG1 3.48Å; A69-T172 HydrophobicContact CB-CG2 4.48Å; K168-T172 VanDerWaalsContact O-CB 3.29Å; K168-T172 WeakPolarHBondContact O-CB 3.24Å; K168-T172 PolarHBondContact O-N 2.55Å; K168-T172 PolarHBondContact O-OG1 2.98Å; D169-T172 PolarHBondContact O-N 2.66Å; D169-T172 VanDerWaalsContact O-N 3.11Å; T172-F175 PolarHBondContact O-N 3.02Å; T172-W176 PolarHBondContact O-N 3.14Å
173	E	97.1	Very high	96.4	Very high	128 Å²	128	51.1 Å²	51.1	60%	0.598	24%	0.238	S	C	*	.	H	α-helix	trans	-58.7	-55	176.5	-175.7	-167.8	160.3	0	0	111.2	D169 F175 W176 K177	D169-E173 WeakPolarHBondContact O-CB 3.15Å; D169-E173 PolarHBondContact O-N 3.43Å; E173-F175 VanDerWaalsContact C-N 3.31Å; E173-F175 PolarHBondContact O-N 3.09Å; E173-W176 PolarHBondContact O-N 3.2Å; E173-K177 WeakPolarHBondContact O-CB 3.38Å; E173-K177 PolarHBondContact O-N 3.04Å; E173-K177 VanDerWaalsContact O-N 3.07Å
174	Q	98	Very high	96.6	Very high	20 Å²	20	56 Å²	56	9%	0.093	26%	0.262	C	S	.	.	H	α-helix	trans	-66	-36.5	-179.7	-65	-60.9	-32.7	0	0	111.5	K170 F171 K177 V178 L202 V206	K170-Q174 WeakPolarHBondContact O-CB 3.23Å; K170-Q174 WeakPolarHBondContact O-CG 3.5Å; K170-Q174 PolarHBondContact O-N 3.18Å; F171-Q174 PolarHBondContact O-N 3.25Å; Q174-K177 PolarHBondContact O-N 3.14Å; Q174-V178 WeakPolarHBondContact O-CB 3.23Å; Q174-V178 VanDerWaalsContact O-CG2 3.28Å; Q174-V178 WeakPolarHBondContact O-CG2 3.41Å; Q174-V178 PolarHBondContact O-N 2.9Å; Q174-L202 VanDerWaalsContact C-CD1 3.44Å; Q174-L202 HydrophobicContact CB-CD1 3.55Å; Q174-V206 HydrophobicContact CB-CG2 4.06Å; Q174-V206 HydrophobicContact CG-CG2 3.93Å
175	F	98.4	Very high	96.8	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-57.3	-55.3	176.4	175.3	-88.7	0	0	0	110.9	A69 Q72 L73 F171 T172 E173 K177 V178 Y179 F198	A69-F175 HydrophobicContact CB-CB 4.31Å; A69-F175 HydrophobicContact CB-CD1 3.47Å; A69-F175 VanDerWaalsContact CB-CD1 3.47Å; A69-F175 HydrophobicContact CB-CD2 4.49Å; A69-F175 HydrophobicContact CB-CE1 3.9Å; A69-F175 HydrophobicContact CB-CG 3.82Å; A69-F175 WeakPolarHBondContact O-CZ 3.36Å; Q72-F175 HydrophobicContact CB-CE1 4.08Å; Q72-F175 HydrophobicContact CB-CZ 3.9Å; Q72-F175 HydrophobicContact CG-CE1 4.22Å; Q72-F175 HydrophobicContact CG-CZ 4.01Å; L73-F175 HydrophobicContact CB-CE2 3.66Å; L73-F175 HydrophobicContact CB-CZ 4.18Å; L73-F175 HydrophobicContact CD1-CE2 4.22Å; L73-F175 HydrophobicContact CG-CE2 4.37Å; F171-F175 HydrophobicContact CD1-CB 4.29Å; F171-F175 HydrophobicContact CE1-CB 4.13Å; F171-F175 HydrophobicContact CE1-CD2 4.21Å; F171-F175 HydrophobicContact CE1-CG 4.39Å; F171-F175 WeakPolarHBondContact O-CA 3.31Å; F171-F175 WeakPolarHBondContact O-CB 3.23Å; F171-F175 PolarHBondContact O-N 2.98Å; T172-F175 PolarHBondContact O-N 3.02Å; E173-F175 VanDerWaalsContact C-N 3.31Å; E173-F175 PolarHBondContact O-N 3.09Å; F175-K177 VanDerWaalsContact C-N 3.34Å; F175-K177 PolarHBondContact O-N 3.32Å; F175-V178 PolarHBondContact O-N 3.46Å; F175-Y179 HydrophobicContact CE1-CD2 4.27Å; F175-Y179 HydrophobicContact CE1-CG 4.1Å; F175-Y179 HydrophobicContact CE2-CD2 4.39Å; F175-Y179 AromaticContact CZ-CD2 3.73Å; F175-Y179 HydrophobicContact CZ-CD2 3.73Å; F175-Y179 HydrophobicContact CZ-CE2 4.48Å; F175-Y179 HydrophobicContact CZ-CG 4.03Å; F175-Y179 WeakPolarHBondContact O-CB 3.37Å; F175-Y179 PolarHBondContact O-N 3.15Å; F175-F198 AromaticContact CD2-CE1 3.43Å; F175-F198 HydrophobicContact CD2-CE1 3.43Å; F175-F198 VanDerWaalsContact CD2-CE1 3.43Å; F175-F198 AromaticContact CD2-CZ 3.74Å; F175-F198 HydrophobicContact CD2-CZ 3.74Å; F175-F198 HydrophobicContact CE2-CD1 4.31Å; F175-F198 AromaticContact CE2-CE1 3.43Å; F175-F198 HydrophobicContact CE2-CE1 3.43Å; F175-F198 VanDerWaalsContact CE2-CE1 3.43Å; F175-F198 AromaticContact CE2-CZ 3.61Å; F175-F198 HydrophobicContact CE2-CZ 3.61Å; F175-F198 HydrophobicContact CZ-CZ 4.36Å
176	W	98.3	Very high	96.8	Very high	67 Å²	67	56.8 Å²	56.8	25%	0.254	26%	0.264	S	S	.	.	H	α-helix	trans	-68.4	-34.9	-176.8	-73.1	117.4	0	0	0	112.3	L68 A69 Q72 T172 E173 Y179 N180	L68-W176 HydrophobicContact CD2-CZ2 3.99Å; L68-W176 HydrophobicContact CG-CZ2 3.95Å; A69-W176 HydrophobicContact CB-CZ2 4.47Å; Q72-W176 HydrophobicContact CB-CH2 4.02Å; Q72-W176 HydrophobicContact CG-CH2 4.05Å; Q72-W176 HydrophobicContact CG-CZ3 4.24Å; T172-W176 PolarHBondContact O-N 3.14Å; E173-W176 PolarHBondContact O-N 3.2Å; W176-Y179 HydrophobicContact CE3-CD1 4.22Å; W176-Y179 AromaticContact CZ3-CD1 3.99Å; W176-Y179 HydrophobicContact CZ3-CD1 3.99Å; W176-Y179 HydrophobicContact CZ3-CE1 4.43Å; W176-N180 WeakPolarHBondContact O-CB 3.49Å; W176-N180 PolarHBondContact O-N 3.49Å; W176-N180 PolarHBondContact O-ND2 3.32Å
177	K	97.8	Very high	96.6	Very high	118 Å²	118	63.2 Å²	63.2	51%	0.513	29%	0.294	S	S	.	.	H	α-helix	trans	-56.2	-51.5	172.1	-177.7	-170.6	176.7	-164.4	0	111.4	E173 Q174 F175 R181	E173-K177 WeakPolarHBondContact O-CB 3.38Å; E173-K177 PolarHBondContact O-N 3.04Å; E173-K177 VanDerWaalsContact O-N 3.07Å; Q174-K177 PolarHBondContact O-N 3.14Å; F175-K177 VanDerWaalsContact C-N 3.34Å; F175-K177 PolarHBondContact O-N 3.32Å; K177-R181 WeakPolarHBondContact O-CB 3.39Å; K177-R181 PolarHBondContact O-N 2.74Å
178	V	98.4	Very high	96.3	Very high	0 Å²	0	66 Å²	66	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-70.7	-47.5	-178.7	173.5	0	0	0	0	111.3	Q174 F175 R181 L182 F198 I201 L202 H205	Q174-V178 WeakPolarHBondContact O-CB 3.23Å; Q174-V178 VanDerWaalsContact O-CG2 3.28Å; Q174-V178 WeakPolarHBondContact O-CG2 3.41Å; Q174-V178 PolarHBondContact O-N 2.9Å; F175-V178 PolarHBondContact O-N 3.46Å; V178-R181 PolarHBondContact O-N 3.23Å; V178-L182 HydrophobicContact CG1-CD1 3.84Å; V178-L182 HydrophobicContact CG1-CG 4.48Å; V178-L182 WeakPolarHBondContact O-CB 3.27Å; V178-L182 WeakPolarHBondContact O-CG 3.41Å; V178-L182 PolarHBondContact O-N 3.47Å; V178-F198 HydrophobicContact CB-CZ 4.27Å; V178-F198 HydrophobicContact CG1-CE2 3.86Å; V178-F198 HydrophobicContact CG1-CZ 3.93Å; V178-I201 HydrophobicContact CG1-CG2 4.03Å; V178-L202 HydrophobicContact CG2-CD1 4.21Å; V178-H205 HydrophobicContact CG2-CB 4.13Å
179	Y	98.3	Very high	95.6	Very high	11 Å²	11	68.7 Å²	68.7	4%	0.043	32%	0.318	C	S	.	.	H	α-helix	trans	-61.2	-52.1	-177.1	-174.4	-85	0	0	0	111.9	Q72 L76 F175 W176 R181 L182 W183 M192 F198	Q72-Y179 VanDerWaalsContact CD-OH 3.3Å; Q72-Y179 HydrophobicContact CG-CD1 4.39Å; Q72-Y179 HydrophobicContact CG-CD2 4.09Å; Q72-Y179 HydrophobicContact CG-CE1 3.92Å; Q72-Y179 HydrophobicContact CG-CE2 3.57Å; Q72-Y179 HydrophobicContact CG-CG 4.49Å; Q72-Y179 VanDerWaalsContact CG-CZ 3.49Å; Q72-Y179 PolarHBondContact NE2-OH 3.35Å; L76-Y179 HydrophobicContact CD1-CE2 4.36Å; L76-Y179 HydrophobicContact CD2-CE2 4.46Å; F175-Y179 HydrophobicContact CE1-CD2 4.27Å; F175-Y179 HydrophobicContact CE1-CG 4.1Å; F175-Y179 HydrophobicContact CE2-CD2 4.39Å; F175-Y179 AromaticContact CZ-CD2 3.73Å; F175-Y179 HydrophobicContact CZ-CD2 3.73Å; F175-Y179 HydrophobicContact CZ-CE2 4.48Å; F175-Y179 HydrophobicContact CZ-CG 4.03Å; F175-Y179 WeakPolarHBondContact O-CB 3.37Å; F175-Y179 PolarHBondContact O-N 3.15Å; W176-Y179 HydrophobicContact CE3-CD1 4.22Å; W176-Y179 AromaticContact CZ3-CD1 3.99Å; W176-Y179 HydrophobicContact CZ3-CD1 3.99Å; W176-Y179 HydrophobicContact CZ3-CE1 4.43Å; Y179-R181 VanDerWaalsContact C-N 3.3Å; Y179-R181 PolarHBondContact O-N 3.26Å; Y179-L182 PolarHBondContact O-N 3.4Å; Y179-W183 HydrophobicContact CD1-CB 4.49Å; Y179-W183 HydrophobicContact CE1-CB 4.24Å; Y179-W183 HydrophobicContact CE1-CD2 4.4Å; Y179-W183 HydrophobicContact CE1-CE3 4.33Å; Y179-W183 HydrophobicContact CE1-CG 4.39Å; Y179-W183 VanDerWaalsContact O-CB 3.27Å; Y179-W183 WeakPolarHBondContact O-CB 3.4Å; Y179-W183 PolarHBondContact O-N 3.35Å; Y179-M192 HydrophobicContact CD2-CE 3.97Å; Y179-M192 HydrophobicContact CE2-CE 3.7Å; Y179-F198 AromaticContact CD2-CE2 3.95Å; Y179-F198 HydrophobicContact CD2-CE2 3.95Å; Y179-F198 HydrophobicContact CD2-CZ 4.26Å; Y179-F198 HydrophobicContact CG-CE2 4.46Å
180	N	97.8	Very high	94.9	Very high	73 Å²	73	72.6 Å²	72.6	39%	0.39	33%	0.332	S	S	.	.	H	α-helix	trans	-62	-42.1	-178.6	-67.2	-15.8	0	0	0	110.6	W176 L182 W183 D184	W176-N180 WeakPolarHBondContact O-CB 3.49Å; W176-N180 PolarHBondContact O-N 3.49Å; W176-N180 PolarHBondContact O-ND2 3.32Å; N180-L182 PolarHBondContact O-N 3.16Å; N180-W183 PolarHBondContact O-N 2.91Å; N180-D184 WeakPolarHBondContact O-CB 3.3Å; N180-D184 PolarHBondContact O-N 3.2Å
181	R	97.7	Very high	94.6	Very high	120 Å²	120	68.7 Å²	68.7	45%	0.453	32%	0.316	S	S	.	.	H	α-helix	trans	-62.1	-43.5	178.3	-172.3	61.8	175.2	156.1	-1.9	112.5	R104 K177 V178 Y179 W183 L185	R104-R181 WeakPolarHBondContact O-CG 3.36Å; K177-R181 WeakPolarHBondContact O-CB 3.39Å; K177-R181 PolarHBondContact O-N 2.74Å; V178-R181 PolarHBondContact O-N 3.23Å; Y179-R181 VanDerWaalsContact C-N 3.3Å; Y179-R181 PolarHBondContact O-N 3.26Å; R181-W183 VanDerWaalsContact C-N 3.35Å; R181-L185 PolarHBondContact O-N 2.96Å
182	L	97.2	Very high	94.4	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-66.2	-38.1	176.2	-76.1	173.4	0	0	0	112.6	Y101 R104 V178 Y179 N180 R186 M192 P193 F198	Y101-L182 HydrophobicContact CD1-CD2 4.04Å; Y101-L182 WeakPolarHBondContact O-CD2 3.37Å; R104-L182 HydrophobicContact CB-CD2 4.17Å; R104-L182 HydrophobicContact CG-CD2 4.4Å; R104-L182 PolarHBondContact NH2-O 3.49Å; V178-L182 HydrophobicContact CG1-CD1 3.84Å; V178-L182 HydrophobicContact CG1-CG 4.48Å; V178-L182 WeakPolarHBondContact O-CB 3.27Å; V178-L182 WeakPolarHBondContact O-CG 3.41Å; V178-L182 PolarHBondContact O-N 3.47Å; Y179-L182 PolarHBondContact O-N 3.4Å; N180-L182 PolarHBondContact O-N 3.16Å; L182-R186 PolarHBondContact O-N 2.89Å; L182-M192 HydrophobicContact CB-CE 4.03Å; L182-M192 HydrophobicContact CB-SD 4.02Å; L182-P193 HydrophobicContact CD1-CG 3.79Å; L182-F198 HydrophobicContact CD1-CD2 3.93Å; L182-F198 HydrophobicContact CD1-CE2 3.91Å
183	W	95.8	Very high	94.1	Very high	94 Å²	94	69.2 Å²	69.2	36%	0.356	32%	0.317	S	S	.	.	H	α-helix	trans	-69.4	-47.5	-179.6	-175.3	-98.7	0	0	0	111.8	Y179 N180 R181 L185 R186 M192	Y179-W183 HydrophobicContact CD1-CB 4.49Å; Y179-W183 HydrophobicContact CE1-CB 4.24Å; Y179-W183 HydrophobicContact CE1-CD2 4.4Å; Y179-W183 HydrophobicContact CE1-CE3 4.33Å; Y179-W183 HydrophobicContact CE1-CG 4.39Å; Y179-W183 VanDerWaalsContact O-CB 3.27Å; Y179-W183 WeakPolarHBondContact O-CB 3.4Å; Y179-W183 PolarHBondContact O-N 3.35Å; N180-W183 PolarHBondContact O-N 2.91Å; R181-W183 VanDerWaalsContact C-N 3.35Å; W183-L185 PolarHBondContact O-N 3.15Å; W183-R186 VanDerWaalsContact NE1-NH1 3.19Å; W183-R186 WeakPolarHBondContact O-CB 3.4Å; W183-R186 WeakPolarHBondContact O-CD 3.48Å; W183-R186 WeakPolarHBondContact O-CG 3.25Å; W183-R186 PolarHBondContact O-N 2.86Å; W183-R186 PolarHBondContact O-NH1 2.89Å; W183-M192 HydrophobicContact CE3-CE 4.18Å; W183-M192 HydrophobicContact CE3-CG 4.14Å; W183-M192 HydrophobicContact CE3-SD 4.04Å; W183-M192 HydrophobicContact CZ3-CG 4.34Å
184	D	96.8	Very high	93.8	Very high	114 Å²	114	64.9 Å²	64.9	61%	0.61	30%	0.304	S	S	*	.	H	α-helix	trans	-66.7	-28	-177	-68	-18.3	0	0	0	112.6	N180	N180-D184 WeakPolarHBondContact O-CB 3.3Å; N180-D184 PolarHBondContact O-N 3.2Å
185	L	96.4	Very high	93.5	Very high	71 Å²	71	65.1 Å²	65.1	37%	0.372	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	12.7	180	-62.3	-175.3	0	0	0	114	R104 R181 W183	R104-L185 WeakPolarHBondContact CD-O 3.41Å; R104-L185 HydrophobicContact CG-CB 3.73Å; R104-L185 HydrophobicContact CG-CD1 3.86Å; R104-L185 HydrophobicContact CG-CG 4.48Å; R181-L185 PolarHBondContact O-N 2.96Å; W183-L185 PolarHBondContact O-N 3.15Å
186	R	94.3	Very high	93.2	Very high	75 Å²	75	67.4 Å²	67.4	28%	0.283	31%	0.314	S	S	.	.			trans	-65	139.2	178.8	76.8	-171.4	179.9	-81.4	1.7	110.7	L182 W183 H188 D189 D191	L182-R186 PolarHBondContact O-N 2.89Å; W183-R186 VanDerWaalsContact NE1-NH1 3.19Å; W183-R186 WeakPolarHBondContact O-CB 3.4Å; W183-R186 WeakPolarHBondContact O-CD 3.48Å; W183-R186 WeakPolarHBondContact O-CG 3.25Å; W183-R186 PolarHBondContact O-N 2.86Å; W183-R186 PolarHBondContact O-NH1 2.89Å; R186-H188 WeakPolarHBondContact CG-O 3.22Å; R186-D189 IonicContact NE-OD1 3.63Å; R186-D189 IonicContact NH2-OD1 3.64Å; R186-D191 HydrophobicContact CB-CB 4.2Å
187	E	91	Very high	93	Very high	141 Å²	141	65.4 Å²	65.4	66%	0.659	31%	0.307	S	S	*	.	S	Bend	trans	-78.1	-27.3	178.3	-65.9	166	173.7	0	0	111.6	K100 D191	K100-E187 IonicContact NZ-OE1 2.72Å; K100-E187 IonicContact NZ-OE2 3.95Å; K100-E187 PolarHBondContact NZ-OE2 2.91Å; E187-D191 WeakPolarHBondContact CB-OD2 3.23Å; E187-D191 PolarHBondContact N-OD2 3Å
188	H	88.6	Confident	93	Very high	111 Å²	111	59.8 Å²	59.8	51%	0.514	28%	0.283	S	S	.	.	S	Bend	trans	-153.8	169	175.3	57.6	65.4	0	0	0	110.8	R186 H190 D191	R186-H188 WeakPolarHBondContact CG-O 3.22Å; H188-H190 PolarHBondContact ND1-N 3.46Å; H188-H190 PolarHBondContact O-N 2.95Å; H188-D191 VanDerWaalsContact CE1-CB 3.44Å; H188-D191 WeakPolarHBondContact CE1-CB 3.27Å; H188-D191 PolarHBondContact CE1-N 3.31Å; H188-D191 VanDerWaalsContact CE1-N 3.32Å; H188-D191 WeakPolarHBondContact ND1-CB 3.18Å; H188-D191 PolarHBondContact ND1-N 3.46Å; H188-D191 VanDerWaalsContact ND1-N 3.11Å; H188-D191 VanDerWaalsContact O-CB 3.32Å; H188-D191 WeakPolarHBondContact O-CB 3.49Å; H188-D191 PolarHBondContact O-N 2.94Å
189	D	79.9	Confident	93	Very high	113 Å²	113	59.8 Å²	59.8	60%	0.604	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-25.3	-170.8	-70	-29.9	0	0	0	115.4	R186	R186-D189 IonicContact NE-OD1 3.63Å; R186-D189 IonicContact NH2-OD1 3.64Å
190	H	81.1	Confident	92.9	Very high	169 Å²	169	59.3 Å²	59.3	78%	0.782	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	9	178	-56.1	-48.8	0	0	0	114.7	H188 M192	H188-H190 PolarHBondContact ND1-N 3.46Å; H188-H190 PolarHBondContact O-N 2.95Å; H190-M192 PolarHBondContact O-N 3.37Å
191	D	89.2	Confident	92.9	Very high	3 Å²	3	55.9 Å²	55.9	2%	0.016	26%	0.263	C	S	.	.			trans	-83.5	65.3	-177.7	-178.3	27	0	0	0	110.1	K100 Y101 R104 R186 E187 H188	K100-D191 IonicContact NZ-OD1 3.52Å; K100-D191 PolarHBondContact NZ-OD1 3.08Å; K100-D191 IonicContact NZ-OD2 2.77Å; K100-D191 PolarHBondContact NZ-OD2 2.88Å; Y101-D191 WeakPolarHBondContact CE1-OD1 3.3Å; Y101-D191 PolarHBondContact OH-OD1 3.44Å; R104-D191 IonicContact CZ-OD2 3.76Å; R104-D191 IonicContact NH1-OD1 3.94Å; R104-D191 PolarHBondContact NH1-OD1 2.62Å; R104-D191 IonicContact NH1-OD2 3.64Å; R104-D191 PolarHBondContact NH1-OD2 3.28Å; R104-D191 PolarHBondContact NH2-O 3.17Å; R104-D191 IonicContact NH2-OD1 3.79Å; R104-D191 IonicContact NH2-OD2 3.57Å; R186-D191 HydrophobicContact CB-CB 4.2Å; E187-D191 WeakPolarHBondContact CB-OD2 3.23Å; E187-D191 PolarHBondContact N-OD2 3Å; H188-D191 VanDerWaalsContact CE1-CB 3.44Å; H188-D191 WeakPolarHBondContact CE1-CB 3.27Å; H188-D191 PolarHBondContact CE1-N 3.31Å; H188-D191 VanDerWaalsContact CE1-N 3.32Å; H188-D191 WeakPolarHBondContact ND1-CB 3.18Å; H188-D191 PolarHBondContact ND1-N 3.46Å; H188-D191 VanDerWaalsContact ND1-N 3.11Å; H188-D191 VanDerWaalsContact O-CB 3.32Å; H188-D191 WeakPolarHBondContact O-CB 3.49Å; H188-D191 PolarHBondContact O-N 2.94Å
192	M	92.6	Very high	93	Very high	24 Å²	24	50.1 Å²	50.1	12%	0.118	24%	0.241	C	C	.	.	S	Bend	trans	-131	143.3	178.6	-71.1	-65.6	-73.9	0	0	110.2	L76 Y179 L182 W183 H190	L76-M192 HydrophobicContact CD2-CB 3.98Å; L76-M192 HydrophobicContact CD2-CE 4.41Å; Y179-M192 HydrophobicContact CD2-CE 3.97Å; Y179-M192 HydrophobicContact CE2-CE 3.7Å; L182-M192 HydrophobicContact CB-CE 4.03Å; L182-M192 HydrophobicContact CB-SD 4.02Å; W183-M192 HydrophobicContact CE3-CE 4.18Å; W183-M192 HydrophobicContact CE3-CG 4.14Å; W183-M192 HydrophobicContact CE3-SD 4.04Å; W183-M192 HydrophobicContact CZ3-CG 4.34Å; H190-M192 PolarHBondContact O-N 3.37Å
193	P	92.5	Very high	93	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.006	24%	0.241	C	C	.	.			trans	-66.7	139.6	177.2	27.3	-33.1	0	0	0	110.7	Y101 L182 K197 F198 I201	Y101-P193 HydrophobicContact CD1-CB 4.43Å; Y101-P193 HydrophobicContact CD1-CG 4.3Å; Y101-P193 HydrophobicContact CD2-CB 3.67Å; Y101-P193 HydrophobicContact CD2-CG 4.37Å; Y101-P193 HydrophobicContact CE2-CB 3.99Å; Y101-P193 HydrophobicContact CG-CB 3.91Å; Y101-P193 HydrophobicContact CG-CG 4.11Å; L182-P193 HydrophobicContact CD1-CG 3.79Å; P193-K197 HydrophobicContact CB-CB 4.09Å; P193-K197 HydrophobicContact CB-CD 3.86Å; P193-K197 HydrophobicContact CB-CG 3.93Å; P193-F198 HydrophobicContact CB-CB 4.39Å; P193-F198 HydrophobicContact CG-CB 4.01Å; P193-F198 HydrophobicContact CG-CD2 3.94Å; P193-F198 HydrophobicContact CG-CG 4.47Å; P193-I201 HydrophobicContact CB-CD1 4.42Å; P193-I201 HydrophobicContact CG-CD1 4.45Å
194	A	90.7	Very high	93.2	Very high	38 Å²	38	45.7 Å²	45.7	31%	0.314	22%	0.224	S	C	.	.			trans	-60.6	156.1	172.7	0	0	0	0	0	111.6	F196 K197 F198	A194-F196 VanDerWaalsContact C-N 3.34Å; A194-F196 PolarHBondContact O-N 3.25Å; A194-K197 WeakPolarHBondContact O-CA 3.18Å; A194-K197 WeakPolarHBondContact O-CB 3.46Å; A194-K197 PolarHBondContact O-N 3.4Å; A194-F198 PolarHBondContact O-N 3.21Å
195	Y	91.3	Very high	93.3	Very high	25 Å²	25	40.8 Å²	40.8	10%	0.098	20%	0.197	C	C	.	.	H	α-helix	trans	-38.1	-53.8	-173.6	-178.3	-83.8	0	0	0	115.3	L73 N74 L76 Q77 H151 T155 L199	L73-Y195 HydrophobicContact CD1-CD2 3.95Å; L73-Y195 HydrophobicContact CD1-CE2 4.16Å; L73-Y195 HydrophobicContact CD2-CD2 4.44Å; L73-Y195 HydrophobicContact CD2-CE2 3.81Å; L73-Y195 HydrophobicContact CG-CD2 3.74Å; L73-Y195 HydrophobicContact CG-CE2 3.5Å; L73-Y195 VanDerWaalsContact CG-CE2 3.5Å; L73-Y195 WeakPolarHBondContact O-CD2 3.31Å; N74-Y195 WeakPolarHBondContact OD1-CE2 3.22Å; L76-Y195 PolarHBondContact O-N 3.42Å; Q77-Y195 HydrophobicContact CG-CD2 3.5Å; Q77-Y195 VanDerWaalsContact CG-CD2 3.5Å; Q77-Y195 HydrophobicContact CG-CE2 4.17Å; Q77-Y195 HydrophobicContact CG-CG 3.89Å; H151-Y195 PolarHBondContact CE1-OH 2.86Å; T155-Y195 WeakPolarHBondContact CG2-OH 3.49Å; T155-Y195 PolarHBondContact OG1-OH 3.08Å; Y195-L199 HydrophobicContact CD1-CD1 3.82Å; Y195-L199 HydrophobicContact CE1-CD1 3.24Å; Y195-L199 HydrophobicContact CE1-CG 4.44Å; Y195-L199 PolarHBondContact O-N 3.44Å; Y195-L199 VanDerWaalsContact O-N 3.09Å
196	F	91.9	Very high	93.4	Very high	48 Å²	48	37.5 Å²	37.5	21%	0.211	18%	0.181	C	C	.	.	H	α-helix	trans	-69	-41.1	-176.6	-174	-113.1	0	0	0	112.1	F147 A194 L199 T200 C227 T228	F147-F196 AromaticContact CE1-CE2 3.91Å; F147-F196 HydrophobicContact CE1-CE2 3.91Å; F147-F196 AromaticContact CE1-CZ 3.91Å; F147-F196 HydrophobicContact CE1-CZ 3.91Å; F147-F196 HydrophobicContact CZ-CE2 4.2Å; A194-F196 VanDerWaalsContact C-N 3.34Å; A194-F196 PolarHBondContact O-N 3.25Å; F196-L199 PolarHBondContact O-N 3.33Å; F196-T200 PolarHBondContact O-N 3.42Å; F196-T200 PolarHBondContact O-OG1 3.34Å; F196-T200 VanDerWaalsContact O-OG1 3.1Å; F196-C227 WeakPolarHBondContact CD1-SG 3.44Å; F196-C227 VanDerWaalsContact CE1-SG 3.5Å; F196-T228 HydrophobicContact CE1-CG2 4.39Å; F196-T228 HydrophobicContact CZ-CG2 4.34Å
197	K	94.6	Very high	93.6	Very high	24 Å²	24	34 Å²	34	10%	0.104	17%	0.167	C	C	.	.	H	α-helix	trans	-64.3	-42.2	177	-173.7	-178.6	-66.4	157.3	0	111.8	D97 T98 Y101 P193 A194 L199 T200 I201 C227	D97-K197 IonicContact OD2-NZ 3.68Å; D97-K197 PolarHBondContact OD2-NZ 3.11Å; T98-K197 HydrophobicContact CG2-CD 4.47Å; T98-K197 HydrophobicContact CG2-CG 3.97Å; T98-K197 WeakPolarHBondContact OG1-CD 3.35Å; T98-K197 VanDerWaalsContact OG1-CE 3.26Å; T98-K197 WeakPolarHBondContact OG1-CE 3.16Å; Y101-K197 HydrophobicContact CD2-CD 3.82Å; Y101-K197 HydrophobicContact CE2-CD 4.21Å; P193-K197 HydrophobicContact CB-CB 4.09Å; P193-K197 HydrophobicContact CB-CD 3.86Å; P193-K197 HydrophobicContact CB-CG 3.93Å; A194-K197 WeakPolarHBondContact O-CA 3.18Å; A194-K197 WeakPolarHBondContact O-CB 3.46Å; A194-K197 PolarHBondContact O-N 3.4Å; K197-L199 VanDerWaalsContact C-N 3.33Å; K197-L199 PolarHBondContact O-N 2.97Å; K197-T200 PolarHBondContact O-N 2.97Å; K197-I201 HydrophobicContact CG-CD1 4.29Å; K197-I201 WeakPolarHBondContact O-CG1 3.18Å; K197-I201 PolarHBondContact O-N 2.71Å; K197-C227 HydrophobicContact CB-CB 4.22Å; K197-C227 HydrophobicContact CG-CB 4.01Å
198	F	97	Very high	93.9	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-58	-47	173.2	-177.5	-81.4	0	0	0	110.8	L73 L76 F175 V178 Y179 L182 P193 A194 T200 I201 L202	L73-F198 HydrophobicContact CD1-CB 4.36Å; L73-F198 HydrophobicContact CD1-CD1 3.51Å; L73-F198 HydrophobicContact CD1-CE1 4.13Å; L73-F198 HydrophobicContact CD1-CG 4.11Å; L76-F198 HydrophobicContact CD1-CB 3.86Å; L76-F198 HydrophobicContact CD1-CD1 4.43Å; L76-F198 HydrophobicContact CD1-CD2 3.65Å; L76-F198 HydrophobicContact CD1-CE2 4.35Å; L76-F198 HydrophobicContact CD1-CG 3.7Å; F175-F198 AromaticContact CD2-CE1 3.43Å; F175-F198 HydrophobicContact CD2-CE1 3.43Å; F175-F198 VanDerWaalsContact CD2-CE1 3.43Å; F175-F198 AromaticContact CD2-CZ 3.74Å; F175-F198 HydrophobicContact CD2-CZ 3.74Å; F175-F198 HydrophobicContact CE2-CD1 4.31Å; F175-F198 AromaticContact CE2-CE1 3.43Å; F175-F198 HydrophobicContact CE2-CE1 3.43Å; F175-F198 VanDerWaalsContact CE2-CE1 3.43Å; F175-F198 AromaticContact CE2-CZ 3.61Å; F175-F198 HydrophobicContact CE2-CZ 3.61Å; F175-F198 HydrophobicContact CZ-CZ 4.36Å; V178-F198 HydrophobicContact CB-CZ 4.27Å; V178-F198 HydrophobicContact CG1-CE2 3.86Å; V178-F198 HydrophobicContact CG1-CZ 3.93Å; Y179-F198 AromaticContact CD2-CE2 3.95Å; Y179-F198 HydrophobicContact CD2-CE2 3.95Å; Y179-F198 HydrophobicContact CD2-CZ 4.26Å; Y179-F198 HydrophobicContact CG-CE2 4.46Å; L182-F198 HydrophobicContact CD1-CD2 3.93Å; L182-F198 HydrophobicContact CD1-CE2 3.91Å; P193-F198 HydrophobicContact CB-CB 4.39Å; P193-F198 HydrophobicContact CG-CB 4.01Å; P193-F198 HydrophobicContact CG-CD2 3.94Å; P193-F198 HydrophobicContact CG-CG 4.47Å; A194-F198 PolarHBondContact O-N 3.21Å; F198-T200 VanDerWaalsContact C-N 3.34Å; F198-T200 PolarHBondContact O-N 3.38Å; F198-I201 PolarHBondContact O-N 2.95Å; F198-L202 HydrophobicContact CE1-CB 4.28Å; F198-L202 HydrophobicContact CE1-CD2 4.27Å; F198-L202 WeakPolarHBondContact O-CB 3.19Å; F198-L202 PolarHBondContact O-N 3.46Å
199	L	97.3	Very high	94.4	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64	-36.7	177.9	-79.4	170.7	0	0	0	113	L73 F147 T155 F171 Y195 F196 K197 L202 G203	L73-L199 HydrophobicContact CD1-CG 4.35Å; L73-L199 HydrophobicContact CD2-CD1 4.31Å; L73-L199 HydrophobicContact CD2-CD2 3.76Å; L73-L199 HydrophobicContact CD2-CG 4.06Å; F147-L199 HydrophobicContact CE2-CB 4.49Å; F147-L199 WeakPolarHBondContact CE2-O 3.19Å; F147-L199 HydrophobicContact CZ-CB 4.36Å; T155-L199 HydrophobicContact CG2-CD1 4.19Å; T155-L199 HydrophobicContact CG2-CD2 3.96Å; F171-L199 HydrophobicContact CE2-CD2 4.23Å; F171-L199 HydrophobicContact CZ-CD2 4.28Å; Y195-L199 HydrophobicContact CD1-CD1 3.82Å; Y195-L199 HydrophobicContact CE1-CD1 3.24Å; Y195-L199 HydrophobicContact CE1-CG 4.44Å; Y195-L199 PolarHBondContact O-N 3.44Å; Y195-L199 VanDerWaalsContact O-N 3.09Å; F196-L199 PolarHBondContact O-N 3.33Å; K197-L199 VanDerWaalsContact C-N 3.33Å; K197-L199 PolarHBondContact O-N 2.97Å; L199-L202 HydrophobicContact CD2-CD2 4.21Å; L199-L202 PolarHBondContact O-N 3.4Å; L199-G203 PolarHBondContact O-N 3.34Å
200	T	97.4	Very high	95.2	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.012	12%	0.118	C	C	.	.	H	α-helix	trans	-60.7	-47.3	173	-59.5	0	0	0	0	111	F196 K197 F198 G203 F204 C227 T228	F196-T200 PolarHBondContact O-N 3.42Å; F196-T200 PolarHBondContact O-OG1 3.34Å; F196-T200 VanDerWaalsContact O-OG1 3.1Å; K197-T200 PolarHBondContact O-N 2.97Å; F198-T200 VanDerWaalsContact C-N 3.34Å; F198-T200 PolarHBondContact O-N 3.38Å; T200-G203 PolarHBondContact O-N 3.17Å; T200-F204 HydrophobicContact CG2-CD2 4.26Å; T200-F204 HydrophobicContact CG2-CE2 3.51Å; T200-F204 HydrophobicContact CG2-CZ 3.77Å; T200-F204 WeakPolarHBondContact O-CD2 3.28Å; T200-F204 PolarHBondContact O-N 2.94Å; T200-F204 VanDerWaalsContact O-N 3.09Å; T200-C227 PolarHBondContact OG1-SG 2.68Å; T200-T228 HydrophobicContact CG2-CG2 4.07Å
201	I	98.4	Very high	95.9	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-62.1	-46.5	176.8	-67.2	163.4	0	0	0	110.8	T98 Y101 L102 V178 P193 K197 F198 G203 F204 H205	T98-I201 HydrophobicContact CG2-CG1 4.46Å; Y101-I201 VanDerWaalsContact CB-CD1 3.42Å; L102-I201 HydrophobicContact CB-CG1 4.4Å; L102-I201 HydrophobicContact CD1-CG1 4.38Å; L102-I201 HydrophobicContact CD1-CG2 4.06Å; V178-I201 HydrophobicContact CG1-CG2 4.03Å; P193-I201 HydrophobicContact CB-CD1 4.42Å; P193-I201 HydrophobicContact CG-CD1 4.45Å; K197-I201 HydrophobicContact CG-CD1 4.29Å; K197-I201 WeakPolarHBondContact O-CG1 3.18Å; K197-I201 PolarHBondContact O-N 2.71Å; F198-I201 PolarHBondContact O-N 2.95Å; I201-G203 VanDerWaalsContact C-N 3.29Å; I201-G203 PolarHBondContact O-N 3Å; I201-F204 PolarHBondContact O-N 3.27Å; I201-H205 PolarHBondContact O-CD2 2.92Å; I201-H205 PolarHBondContact O-N 3.22Å; I201-H205 VanDerWaalsContact O-N 3.1Å
202	L	98.6	Very high	96.4	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-57.7	-43.1	175.4	178.9	63.5	0	0	0	111.5	I159 F171 Q174 V178 F198 L199 F204 H205 V206	I159-L202 HydrophobicContact CD1-CD2 4.2Å; I159-L202 HydrophobicContact CD1-CG 4.09Å; F171-L202 HydrophobicContact CD2-CD2 4.17Å; F171-L202 HydrophobicContact CE1-CD2 4.42Å; F171-L202 HydrophobicContact CE2-CD2 3.62Å; F171-L202 HydrophobicContact CZ-CD2 3.76Å; Q174-L202 VanDerWaalsContact C-CD1 3.44Å; Q174-L202 HydrophobicContact CB-CD1 3.55Å; V178-L202 HydrophobicContact CG2-CD1 4.21Å; F198-L202 HydrophobicContact CE1-CB 4.28Å; F198-L202 HydrophobicContact CE1-CD2 4.27Å; F198-L202 WeakPolarHBondContact O-CB 3.19Å; F198-L202 PolarHBondContact O-N 3.46Å; L199-L202 HydrophobicContact CD2-CD2 4.21Å; L199-L202 PolarHBondContact O-N 3.4Å; L202-F204 VanDerWaalsContact C-N 3.34Å; L202-F204 PolarHBondContact O-N 3.22Å; L202-H205 PolarHBondContact O-N 3.11Å; L202-V206 WeakPolarHBondContact O-CG2 3.37Å; L202-V206 PolarHBondContact O-N 3.14Å
203	G	98.4	Very high	96.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-55.9	-46.7	175.2	0	0	0	0	0	112	L199 T200 I201 H205 V206 F207	L199-G203 PolarHBondContact O-N 3.34Å; T200-G203 PolarHBondContact O-N 3.17Å; I201-G203 VanDerWaalsContact C-N 3.29Å; I201-G203 PolarHBondContact O-N 3Å; G203-H205 PolarHBondContact O-N 3.19Å; G203-V206 PolarHBondContact O-N 2.92Å; G203-F207 WeakPolarHBondContact O-CD2 3.38Å; G203-F207 WeakPolarHBondContact O-CG 3.29Å; G203-F207 PolarHBondContact O-N 3.02Å
204	F	98.6	Very high	96.8	Very high	1 Å²	1	22.2 Å²	22.2	0%	0.004	13%	0.126	C	C	.	.	H	α-helix	trans	-63.2	-41.3	177	-62.4	-39.7	0	0	0	113.1	L102 L107 V112 F117 T200 I201 L202 V206 F207 V208 L217 I230 V231	L102-F204 HydrophobicContact CD1-CB 4.39Å; L102-F204 HydrophobicContact CD1-CD2 4.08Å; L107-F204 HydrophobicContact CD2-CB 3.88Å; V112-F204 HydrophobicContact CG1-CB 4.29Å; V112-F204 HydrophobicContact CG1-CD1 3.85Å; V112-F204 HydrophobicContact CG1-CD2 4.29Å; V112-F204 HydrophobicContact CG1-CE1 4.22Å; V112-F204 HydrophobicContact CG1-CG 3.9Å; V112-F204 HydrophobicContact CG2-CB 4.03Å; V112-F204 HydrophobicContact CG2-CG 4.36Å; F117-F204 HydrophobicContact CE1-CD1 4.27Å; F117-F204 AromaticContact CE1-CE1 3.82Å; F117-F204 HydrophobicContact CE1-CE1 3.82Å; F117-F204 HydrophobicContact CZ-CD1 4.34Å; F117-F204 HydrophobicContact CZ-CE1 4.14Å; T200-F204 HydrophobicContact CG2-CD2 4.26Å; T200-F204 HydrophobicContact CG2-CE2 3.51Å; T200-F204 HydrophobicContact CG2-CZ 3.77Å; T200-F204 WeakPolarHBondContact O-CD2 3.28Å; T200-F204 PolarHBondContact O-N 2.94Å; T200-F204 VanDerWaalsContact O-N 3.09Å; I201-F204 PolarHBondContact O-N 3.27Å; L202-F204 VanDerWaalsContact C-N 3.34Å; L202-F204 PolarHBondContact O-N 3.22Å; F204-V206 VanDerWaalsContact C-N 3.3Å; F204-V206 PolarHBondContact O-N 2.91Å; F204-F207 HydrophobicContact CD1-CD2 4.45Å; F204-F207 PolarHBondContact O-N 3.04Å; F204-V208 WeakPolarHBondContact O-CB 3.49Å; F204-V208 WeakPolarHBondContact O-CG2 3.43Å; F204-V208 PolarHBondContact O-N 2.84Å; F204-L217 HydrophobicContact CE1-CD2 4.37Å; F204-L217 HydrophobicContact CZ-CD2 4.43Å; F204-I230 HydrophobicContact CD2-CD1 4.24Å; F204-I230 HydrophobicContact CE2-CD1 3.58Å; F204-I230 HydrophobicContact CE2-CG1 3.95Å; F204-I230 HydrophobicContact CZ-CD1 4.43Å; F204-I230 HydrophobicContact CZ-CG1 4.34Å; F204-V231 HydrophobicContact CE1-CG1 4.04Å; F204-V231 HydrophobicContact CZ-CG1 3.87Å
205	H	98.6	Very high	97.2	Very high	10 Å²	10	20.4 Å²	20.4	5%	0.046	11%	0.111	C	C	.	.	H	α-helix	trans	-57.9	-44.6	172.8	-86.5	-98.5	0	0	0	111.8	S105 L107 V178 I201 L202 G203 A209	S105-H205 PolarHBondContact O-CE1 3.18Å; S105-H205 PolarHBondContact OG-NE2 2.91Å; L107-H205 VanDerWaalsContact CB-NE2 3.34Å; L107-H205 WeakPolarHBondContact CB-NE2 3.29Å; L107-H205 HydrophobicContact CD2-CB 4.46Å; V178-H205 HydrophobicContact CG2-CB 4.13Å; I201-H205 PolarHBondContact O-CD2 2.92Å; I201-H205 PolarHBondContact O-N 3.22Å; I201-H205 VanDerWaalsContact O-N 3.1Å; L202-H205 PolarHBondContact O-N 3.11Å; G203-H205 PolarHBondContact O-N 3.19Å; H205-A209 VanDerWaalsContact O-CB 3.23Å; H205-A209 WeakPolarHBondContact O-CB 3.42Å; H205-A209 PolarHBondContact O-N 2.62Å
206	V	98.7	Very high	97.6	Very high	3 Å²	3	19.2 Å²	19.2	2%	0.018	11%	0.106	C	C	.	.	H	α-helix	trans	-63.6	-49.7	178.4	173.2	0	0	0	0	110.8	I159 I161 L166 Q174 L202 G203 F204 V208 A209 E210	I159-V206 HydrophobicContact CG2-CB 4.14Å; I159-V206 HydrophobicContact CG2-CG1 3.8Å; I159-V206 HydrophobicContact CG2-CG2 4.49Å; I161-V206 HydrophobicContact CD1-CG1 4.16Å; I161-V206 HydrophobicContact CG1-CG1 4.44Å; L166-V206 HydrophobicContact CD1-CG1 3.75Å; L166-V206 HydrophobicContact CD2-CB 4.48Å; L166-V206 HydrophobicContact CD2-CG1 4.01Å; L166-V206 HydrophobicContact CD2-CG2 3.67Å; Q174-V206 HydrophobicContact CB-CG2 4.06Å; Q174-V206 HydrophobicContact CG-CG2 3.93Å; L202-V206 WeakPolarHBondContact O-CG2 3.37Å; L202-V206 PolarHBondContact O-N 3.14Å; G203-V206 PolarHBondContact O-N 2.92Å; F204-V206 VanDerWaalsContact C-N 3.3Å; F204-V206 PolarHBondContact O-N 2.91Å; V206-V208 VanDerWaalsContact C-N 3.34Å; V206-V208 PolarHBondContact O-N 3.1Å; V206-A209 PolarHBondContact O-N 3.29Å; V206-E210 HydrophobicContact CG1-CG 4.08Å; V206-E210 WeakPolarHBondContact O-CB 3.38Å; V206-E210 WeakPolarHBondContact O-CG 3.34Å; V206-E210 PolarHBondContact O-N 3.4Å
207	F	98.6	Very high	97.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-64.1	-37.8	-176.9	-60.6	-39.7	0	0	0	112.9	L115 F147 I159 I161 G203 F204 N211 V212 V215	L115-F207 HydrophobicContact CD1-CB 3.76Å; F147-F207 HydrophobicContact CB-CE2 4.02Å; F147-F207 HydrophobicContact CB-CZ 4Å; I159-F207 HydrophobicContact CG2-CE1 3.78Å; I159-F207 HydrophobicContact CG2-CZ 3.96Å; I161-F207 HydrophobicContact CD1-CD1 3.75Å; I161-F207 HydrophobicContact CD1-CE1 4Å; G203-F207 WeakPolarHBondContact O-CD2 3.38Å; G203-F207 WeakPolarHBondContact O-CG 3.29Å; G203-F207 PolarHBondContact O-N 3.02Å; F204-F207 HydrophobicContact CD1-CD2 4.45Å; F204-F207 PolarHBondContact O-N 3.04Å; F207-N211 PolarHBondContact O-N 2.74Å; F207-N211 VanDerWaalsContact O-N 3.15Å; F207-V212 HydrophobicContact CB-CG2 3.81Å; F207-V212 HydrophobicContact CD1-CG1 4.47Å; F207-V212 HydrophobicContact CD1-CG2 4.5Å; F207-V212 HydrophobicContact CG-CG2 4.4Å; F207-V212 PolarHBondContact O-N 3.14Å; F207-V215 HydrophobicContact CB-CG2 3.87Å; F207-V215 HydrophobicContact CD1-CG2 4.37Å; F207-V215 HydrophobicContact CD2-CB 4.42Å; F207-V215 HydrophobicContact CD2-CG1 3.76Å; F207-V215 HydrophobicContact CD2-CG2 3.7Å; F207-V215 HydrophobicContact CE2-CG1 3.61Å; F207-V215 HydrophobicContact CE2-CG2 4.37Å; F207-V215 HydrophobicContact CG-CG1 4.44Å; F207-V215 HydrophobicContact CG-CG2 3.72Å; F207-V215 HydrophobicContact CZ-CG1 4.16Å
208	V	98.1	Very high	98.1	Very high	36 Å²	36	16.1 Å²	16.1	22%	0.218	9%	0.093	C	C	.	.	H	α-helix	trans	-66.2	-48.3	173.1	171.5	0	0	0	0	110.6	L107 T111 L115 F204 V206 E210 N211	L107-V208 HydrophobicContact CD1-CG1 4.38Å; L107-V208 HydrophobicContact CD1-CG2 4.26Å; L107-V208 HydrophobicContact CD2-CG2 4.46Å; T111-V208 HydrophobicContact CG2-CG1 3.88Å; T111-V208 HydrophobicContact CG2-CG2 4.36Å; L115-V208 HydrophobicContact CD1-CG2 3.72Å; L115-V208 HydrophobicContact CG-CG2 4.2Å; F204-V208 WeakPolarHBondContact O-CB 3.49Å; F204-V208 WeakPolarHBondContact O-CG2 3.43Å; F204-V208 PolarHBondContact O-N 2.84Å; V206-V208 VanDerWaalsContact C-N 3.34Å; V206-V208 PolarHBondContact O-N 3.1Å; V208-E210 VanDerWaalsContact C-N 3.26Å; V208-E210 PolarHBondContact O-N 3.35Å; V208-N211 PolarHBondContact O-N 2.83Å
209	A	97.8	Very high	98.1	Very high	49 Å²	49	16.2 Å²	16.2	41%	0.405	9%	0.094	S	C	.	.	H	α-helix	trans	-62.4	-34.5	179.8	0	0	0	0	0	112.6	H205 V206 N211	H205-A209 VanDerWaalsContact O-CB 3.23Å; H205-A209 WeakPolarHBondContact O-CB 3.42Å; H205-A209 PolarHBondContact O-N 2.62Å; V206-A209 PolarHBondContact O-N 3.29Å; A209-N211 VanDerWaalsContact C-N 3.31Å; A209-N211 PolarHBondContact O-ND2 2.9Å
210	E	97.7	Very high	97.8	Very high	27 Å²	27	16.8 Å²	16.8	13%	0.126	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-4.1	177.5	-64.1	-68	146.2	0	0	112.9	R143 I161 K170 V206 V208 V212	R143-E210 PolarHBondContact NE-O 3.03Å; R143-E210 VanDerWaalsContact NE-O 3.08Å; R143-E210 PolarHBondContact NH1-O 2.96Å; R143-E210 PolarHBondContact NH2-O 2.94Å; R143-E210 VanDerWaalsContact NH2-O 3.07Å; R143-E210 IonicContact NH2-OE2 3.81Å; R143-E210 PolarHBondContact NH2-OE2 2.85Å; I161-E210 HydrophobicContact CD1-CB 3.98Å; I161-E210 HydrophobicContact CD1-CG 3.94Å; I161-E210 HydrophobicContact CG1-CB 4.48Å; I161-E210 HydrophobicContact CG1-CG 4.04Å; K170-E210 WeakPolarHBondContact CD-OE1 3.37Å; K170-E210 WeakPolarHBondContact CE-OE1 3.24Å; K170-E210 VanDerWaalsContact NZ-CD 3.25Å; K170-E210 IonicContact NZ-OE1 2.72Å; K170-E210 PolarHBondContact NZ-OE1 2.89Å; K170-E210 IonicContact NZ-OE2 3.66Å; K170-E210 PolarHBondContact NZ-OE2 3.26Å; V206-E210 HydrophobicContact CG1-CG 4.08Å; V206-E210 WeakPolarHBondContact O-CB 3.38Å; V206-E210 WeakPolarHBondContact O-CG 3.34Å; V206-E210 PolarHBondContact O-N 3.4Å; V208-E210 VanDerWaalsContact C-N 3.26Å; V208-E210 PolarHBondContact O-N 3.35Å; E210-V212 VanDerWaalsContact C-N 3.32Å; E210-V212 HydrophobicContact CB-CG1 4.1Å; E210-V212 PolarHBondContact O-N 3.34Å
211	N	96.7	Very high	97.3	Very high	118 Å²	118	20.3 Å²	20.3	63%	0.631	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.1	50	179.9	-56.8	-82.2	0	0	0	112.6	F207 V208 A209	F207-N211 PolarHBondContact O-N 2.74Å; F207-N211 VanDerWaalsContact O-N 3.15Å; V208-N211 PolarHBondContact O-N 2.83Å; A209-N211 VanDerWaalsContact C-N 3.31Å; A209-N211 PolarHBondContact O-ND2 2.9Å
212	V	97.9	Very high	97	Very high	7 Å²	7	20.4 Å²	20.4	4%	0.042	12%	0.118	C	C	.	.			trans	-71.4	145.3	177.8	-56.3	0	0	0	0	110.8	L115 R143 I161 F207 E210 V215	L115-V212 HydrophobicContact CD2-CG2 4.07Å; L115-V212 WeakPolarHBondContact CD2-O 3.22Å; R143-V212 HydrophobicContact CG-CG1 4.36Å; I161-V212 HydrophobicContact CD1-CG1 3.83Å; F207-V212 HydrophobicContact CB-CG2 3.81Å; F207-V212 HydrophobicContact CD1-CG1 4.47Å; F207-V212 HydrophobicContact CD1-CG2 4.5Å; F207-V212 HydrophobicContact CG-CG2 4.4Å; F207-V212 PolarHBondContact O-N 3.14Å; E210-V212 VanDerWaalsContact C-N 3.32Å; E210-V212 HydrophobicContact CB-CG1 4.1Å; E210-V212 PolarHBondContact O-N 3.34Å; V212-V215 HydrophobicContact CG2-CG2 3.58Å
213	D	97.2	Very high	96.8	Very high	78 Å²	78	20.4 Å²	20.4	42%	0.417	12%	0.118	S	C	.	.	S	Bend	trans	-74.1	-36.1	177.5	-63.4	-52	0	0	0	111.3	S116 F142 R143	S116-D213 WeakPolarHBondContact CB-O 3.46Å; F142-D213 HydrophobicContact CB-CB 4.35Å; F142-D213 HydrophobicContact CD1-CB 4.09Å; R143-D213 PolarHBondContact N-OD2 2.92Å; R143-D213 PolarHBondContact O-N 3.46Å
214	V	98.3	Very high	96.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	138.7	-176.4	60.3	0	0	0	0	111.7	S116 I118 L137 R143 T144 G145 W335	S116-V214 CarbonylContact O-C 3.6Å; S116-V214 WeakPolarHBondContact O-CA 3.21Å; I118-V214 HydrophobicContact CD1-CG2 4.28Å; I118-V214 HydrophobicContact CG1-CG2 4.14Å; L137-V214 HydrophobicContact CD1-CG1 3.91Å; L137-V214 HydrophobicContact CD1-CG2 4.26Å; R143-V214 PolarHBondContact O-N 2.82Å; T144-V214 HydrophobicContact CG2-CG1 4.02Å; G145-V214 PolarHBondContact N-O 3.17Å; V214-W335 HydrophobicContact CB-CD2 4.39Å; V214-W335 HydrophobicContact CB-CH2 3.97Å; V214-W335 HydrophobicContact CB-CZ2 3.5Å; V214-W335 VanDerWaalsContact CB-CZ2 3.5Å; V214-W335 HydrophobicContact CG1-CH2 4.14Å; V214-W335 HydrophobicContact CG1-CZ2 4.17Å; V214-W335 HydrophobicContact CG1-CZ3 4.45Å; V214-W335 HydrophobicContact CG2-CD2 4.06Å; V214-W335 HydrophobicContact CG2-CG 4.34Å; V214-W335 HydrophobicContact CG2-CZ2 3.94Å
215	V	98.6	Very high	96.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	121.7	171.5	-178.7	0	0	0	0	109.7	L115 S116 F117 I118 G145 F207 V212 L217	L115-V215 HydrophobicContact CD1-CG2 4.21Å; S116-V215 PolarHBondContact O-N 3.34Å; F117-V215 WeakPolarHBondContact CA-O 3.3Å; F117-V215 HydrophobicContact CD1-CB 3.59Å; F117-V215 HydrophobicContact CD1-CG1 3.97Å; F117-V215 HydrophobicContact CD1-CG2 4.31Å; F117-V215 HydrophobicContact CE1-CB 3.64Å; F117-V215 HydrophobicContact CE1-CG1 3.91Å; F117-V215 HydrophobicContact CE1-CG2 3.9Å; I118-V215 PolarHBondContact N-O 3.21Å; G145-V215 CarbonylContact O-C 3.55Å; G145-V215 VanDerWaalsContact O-CA 3.31Å; G145-V215 WeakPolarHBondContact O-CA 3.08Å; F207-V215 HydrophobicContact CB-CG2 3.87Å; F207-V215 HydrophobicContact CD1-CG2 4.37Å; F207-V215 HydrophobicContact CD2-CB 4.42Å; F207-V215 HydrophobicContact CD2-CG1 3.76Å; F207-V215 HydrophobicContact CD2-CG2 3.7Å; F207-V215 HydrophobicContact CE2-CG1 3.61Å; F207-V215 HydrophobicContact CE2-CG2 4.37Å; F207-V215 HydrophobicContact CG-CG1 4.44Å; F207-V215 HydrophobicContact CG-CG2 3.72Å; F207-V215 HydrophobicContact CZ-CG1 4.16Å; V212-V215 HydrophobicContact CG2-CG2 3.58Å; V215-L217 HydrophobicContact CG1-CB 4.32Å
216	V	98.8	Very high	96.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	105.8	166.7	-170.2	0	0	0	0	108	C130 T133 E134 L137 G145 F146 F147	C130-V216 HydrophobicContact CB-CG1 3.6Å; T133-V216 HydrophobicContact CG2-CG1 4.44Å; T133-V216 HydrophobicContact CG2-CG2 4.14Å; E134-V216 HydrophobicContact CB-CG2 4.14Å; L137-V216 HydrophobicContact CD1-CG2 4.37Å; G145-V216 PolarHBondContact O-N 3.04Å; F146-V216 HydrophobicContact CD2-CB 4.39Å; F147-V216 PolarHBondContact N-O 3.19Å
217	L	98.6	Very high	95.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	110.2	-168.8	-174.9	58.6	0	0	0	110.1	F117 I118 H119 V120 F147 F204 V215 T228 V231	F117-L217 HydrophobicContact CD1-CB 4.4Å; F117-L217 HydrophobicContact CD1-CD2 4.05Å; F117-L217 HydrophobicContact CE1-CD2 4.41Å; I118-L217 PolarHBondContact O-N 2.67Å; H119-L217 PolarHBondContact CD2-O 2.9Å; V120-L217 PolarHBondContact N-O 3.11Å; F147-L217 HydrophobicContact CB-CD1 3.73Å; F147-L217 HydrophobicContact CD1-CD1 3.71Å; F147-L217 HydrophobicContact CG-CD1 3.95Å; F204-L217 HydrophobicContact CE1-CD2 4.37Å; F204-L217 HydrophobicContact CZ-CD2 4.43Å; V215-L217 HydrophobicContact CG1-CB 4.32Å; L217-T228 HydrophobicContact CD1-CG2 3.91Å; L217-T228 HydrophobicContact CG-CG2 4.28Å; L217-V231 HydrophobicContact CD2-CG1 4.42Å; L217-V231 HydrophobicContact CD2-CG2 3.79Å
218	E	98.6	Very high	95.7	Very high	8 Å²	8	26.3 Å²	26.3	4%	0.037	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	130.7	170.5	176.8	172.6	-154.8	0	0	110.8	K126 G127 F147 S148 S149	K126-E218 HydrophobicContact CB-CG 3.99Å; K126-E218 WeakPolarHBondContact CB-OE1 3.39Å; K126-E218 HydrophobicContact CD-CG 4.25Å; K126-E218 WeakPolarHBondContact CE-OE1 3.41Å; G127-E218 PolarHBondContact N-OE1 2.95Å; G127-E218 VanDerWaalsContact N-OE1 3.08Å; F147-E218 WeakPolarHBondContact O-CB 3.39Å; F147-E218 PolarHBondContact O-N 3.3Å; S148-E218 WeakPolarHBondContact CA-OE2 3.28Å; S148-E218 WeakPolarHBondContact CB-OE2 3.17Å; S149-E218 PolarHBondContact N-OE2 3.35Å
219	V	96.9	Very high	95.7	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.006	14%	0.138	C	C	.	.			trans	-67.5	137.1	168.4	172.3	0	0	0	0	110.9	H119 V120 A121 K126 G222 D226 I264	H119-V219 WeakPolarHBondContact NE2-CG2 3.3Å; V120-V219 WeakPolarHBondContact O-CG2 3.5Å; V120-V219 PolarHBondContact O-N 2.72Å; A121-V219 HydrophobicContact CB-CB 4.26Å; A121-V219 HydrophobicContact CB-CG2 3.89Å; K126-V219 VanDerWaalsContact CE-O 3.29Å; K126-V219 WeakPolarHBondContact CE-O 3.14Å; V219-G222 WeakPolarHBondContact CG1-O 3.43Å; V219-D226 HydrophobicContact CG1-CB 3.85Å; V219-I264 HydrophobicContact CG2-CD1 4.39Å; V219-I264 HydrophobicContact CG2-CG2 3.66Å
220	G	91.1	Very high	95.6	Very high	12 Å²	12	22.7 Å²	22.7	12%	0.124	12%	0.119	C	C	.	.	S	Bend	trans	-67.7	-76.1	173.2	0	0	0	0	0	112.6	D226	G220-D226 WeakPolarHBondContact CA-OD2 3.32Å; G220-D226 PolarHBondContact N-OD2 2.84Å
221	I	87.3	Confident	95.5	Very high	76 Å²	76	21.5 Å²	21.5	39%	0.39	11%	0.114	S	C	.	.	S	Bend	trans	-134.5	131.7	-178.3	-61.5	177.2	0	0	0	109.7	G223 D226 H246 L250	I221-G223 PolarHBondContact O-N 3.38Å; I221-D226 PolarHBondContact N-OD2 3.23Å; I221-H246 HydrophobicContact CG2-CB 4.48Å; I221-L250 HydrophobicContact CG2-CD1 4.24Å; I221-L250 HydrophobicContact CG2-CD2 4.07Å; I221-L250 HydrophobicContact CG2-CG 4.33Å
222	G	91.4	Very high	95.2	Very high	2 Å²	2	23 Å²	23	2%	0.021	11%	0.111	C	C	.	.	S	Bend	trans	75.9	-115.1	-179.7	0	0	0	0	0	112	V219 L250 K261	V219-G222 WeakPolarHBondContact CG1-O 3.43Å; G222-L250 VanDerWaalsContact CA-CD2 3.48Å; G222-K261 VanDerWaalsContact O-CG 3.28Å; G222-K261 WeakPolarHBondContact O-CG 3.25Å
223	G	94.6	Very high	94.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	169.9	-59.9	179.8	0	0	0	0	0	111.9	I221 H225 D226 N229 Q260	I221-G223 PolarHBondContact O-N 3.38Å; G223-H225 VanDerWaalsContact C-N 3.31Å; G223-H225 PolarHBondContact O-N 3.12Å; G223-D226 PolarHBondContact O-N 3.12Å; G223-N229 VanDerWaalsContact O-CB 3.24Å; G223-N229 WeakPolarHBondContact O-CB 3.36Å; G223-N229 PolarHBondContact O-ND2 3Å; G223-N229 VanDerWaalsContact O-ND2 3.14Å; G223-Q260 CarbonylContact C-O 3.45Å; G223-Q260 WeakPolarHBondContact CA-O 3.39Å; G223-Q260 PolarHBondContact N-O 3.23Å
224	E	94.9	Very high	94.8	Very high	28 Å²	28	22.9 Å²	22.9	13%	0.131	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-44.1	-173.7	179.6	56.3	-129.5	0	0	112.7	K95 N229 W259 Q260 G263 R287	K95-E224 WeakPolarHBondContact CD-O 3.25Å; K95-E224 PolarHBondContact NZ-O 3.18Å; K95-E224 IonicContact NZ-OE1 3.68Å; K95-E224 PolarHBondContact NZ-OE1 2.67Å; E224-N229 PolarHBondContact O-ND2 3.06Å; E224-W259 HydrophobicContact CB-CH2 4.38Å; E224-W259 HydrophobicContact CB-CZ3 4.07Å; E224-W259 HydrophobicContact CG-CH2 3.78Å; E224-W259 HydrophobicContact CG-CZ3 3.96Å; E224-Q260 PolarHBondContact N-O 3.44Å; E224-G263 VanDerWaalsContact OE2-CA 3.3Å; E224-G263 WeakPolarHBondContact OE2-CA 3.45Å; E224-R287 IonicContact OE2-CZ 3.46Å; E224-R287 IonicContact OE2-NH1 3.32Å; E224-R287 IonicContact OE2-NH2 3.47Å; E224-R287 PolarHBondContact OE2-NH2 3.17Å
225	H	91.8	Very high	94.7	Very high	94 Å²	94	29.5 Å²	29.5	44%	0.435	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	8.9	-178.2	-54.8	-64.3	0	0	0	113.6	T94 G223	T94-H225 WeakPolarHBondContact CB-O 3.49Å; T94-H225 VanDerWaalsContact CG2-O 3.23Å; T94-H225 WeakPolarHBondContact CG2-O 3.35Å; G223-H225 VanDerWaalsContact C-N 3.31Å; G223-H225 PolarHBondContact O-N 3.12Å
226	D	94.1	Very high	94.7	Very high	10 Å²	10	29.5 Å²	29.5	5%	0.053	14%	0.135	C	C	.	.			trans	-70.6	144.5	178.8	-170.9	-92.3	0	0	0	110.6	V219 G220 I221 G223 T228 N229	V219-D226 HydrophobicContact CG1-CB 3.85Å; G220-D226 WeakPolarHBondContact CA-OD2 3.32Å; G220-D226 PolarHBondContact N-OD2 2.84Å; I221-D226 PolarHBondContact N-OD2 3.23Å; G223-D226 PolarHBondContact O-N 3.12Å; D226-T228 PolarHBondContact O-N 3.37Å; D226-T228 VanDerWaalsContact OD1-CB 3.22Å; D226-T228 WeakPolarHBondContact OD1-CB 3.4Å; D226-T228 VanDerWaalsContact OD1-CG2 3.25Å; D226-T228 WeakPolarHBondContact OD1-CG2 3.45Å; D226-T228 PolarHBondContact OD1-N 3.27Å; D226-T228 PolarHBondContact OD1-OG1 2.92Å; D226-N229 WeakPolarHBondContact O-CB 3.24Å; D226-N229 PolarHBondContact O-N 3.15Å
227	C	93.9	Very high	94.7	Very high	7 Å²	7	29.5 Å²	29.5	5%	0.047	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-67.4	-18.8	-178.7	57	0	0	0	0	113.4	T98 F196 K197 T200 N229	T98-C227 HydrophobicContact CG2-CB 3.95Å; T98-C227 VanDerWaalsContact OG1-CB 3.27Å; T98-C227 WeakPolarHBondContact OG1-CB 3.28Å; F196-C227 WeakPolarHBondContact CD1-SG 3.44Å; F196-C227 VanDerWaalsContact CE1-SG 3.5Å; K197-C227 HydrophobicContact CB-CB 4.22Å; K197-C227 HydrophobicContact CG-CB 4.01Å; T200-C227 PolarHBondContact OG1-SG 2.68Å; C227-N229 PolarHBondContact O-N 3.32Å
228	T	96.4	Very high	94.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-69.4	-20.5	169.8	65.4	0	0	0	0	112.1	H119 F147 F196 T200 L217 D226 I230	H119-T228 PolarHBondContact NE2-OG1 3.31Å; F147-T228 HydrophobicContact CD1-CG2 4.36Å; F147-T228 HydrophobicContact CE1-CG2 4.14Å; F196-T228 HydrophobicContact CE1-CG2 4.39Å; F196-T228 HydrophobicContact CZ-CG2 4.34Å; T200-T228 HydrophobicContact CG2-CG2 4.07Å; L217-T228 HydrophobicContact CD1-CG2 3.91Å; L217-T228 HydrophobicContact CG-CG2 4.28Å; D226-T228 PolarHBondContact O-N 3.37Å; D226-T228 VanDerWaalsContact OD1-CB 3.22Å; D226-T228 WeakPolarHBondContact OD1-CB 3.4Å; D226-T228 VanDerWaalsContact OD1-CG2 3.25Å; D226-T228 WeakPolarHBondContact OD1-CG2 3.45Å; D226-T228 PolarHBondContact OD1-N 3.27Å; D226-T228 PolarHBondContact OD1-OG1 2.92Å; T228-I230 PolarHBondContact O-N 3.2Å
229	N	96.8	Very high	94.7	Very high	5 Å²	5	29.1 Å²	29.1	3%	0.027	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-79.1	19.5	-174.7	-157.2	28.8	0	0	0	114.9	K95 G223 E224 D226 C227 G263 K266	K95-N229 HydrophobicContact CD-CB 4.24Å; G223-N229 VanDerWaalsContact O-CB 3.24Å; G223-N229 WeakPolarHBondContact O-CB 3.36Å; G223-N229 PolarHBondContact O-ND2 3Å; G223-N229 VanDerWaalsContact O-ND2 3.14Å; E224-N229 PolarHBondContact O-ND2 3.06Å; D226-N229 WeakPolarHBondContact O-CB 3.24Å; D226-N229 PolarHBondContact O-N 3.15Å; C227-N229 PolarHBondContact O-N 3.32Å; N229-G263 PolarHBondContact ND2-O 2.77Å; N229-K266 PolarHBondContact O-NZ 3.01Å; N229-K266 WeakPolarHBondContact OD1-CE 3.47Å; N229-K266 PolarHBondContact OD1-NZ 3.16Å
230	I	96.7	Very high	94.8	Very high	4 Å²	4	29.1 Å²	29.1	2%	0.021	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-82.7	-20	171.2	67.4	170.9	0	0	0	112.9	K95 T98 I99 L102 L109 F204 T228 R232	K95-I230 HydrophobicContact CB-CG2 4.3Å; T98-I230 HydrophobicContact CG2-CD1 3.92Å; T98-I230 HydrophobicContact CG2-CG2 3.87Å; I99-I230 HydrophobicContact CD1-CG2 4.5Å; I99-I230 HydrophobicContact CG1-CB 4.14Å; I99-I230 HydrophobicContact CG1-CG2 3.94Å; L102-I230 HydrophobicContact CD2-CD1 3.68Å; L109-I230 HydrophobicContact CD1-CD1 4.33Å; F204-I230 HydrophobicContact CD2-CD1 4.24Å; F204-I230 HydrophobicContact CE2-CD1 3.58Å; F204-I230 HydrophobicContact CE2-CG1 3.95Å; F204-I230 HydrophobicContact CZ-CD1 4.43Å; F204-I230 HydrophobicContact CZ-CG1 4.34Å; T228-I230 PolarHBondContact O-N 3.2Å; I230-R232 PolarHBondContact O-N 3.31Å
231	V	95.4	Very high	95	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.006	13%	0.133	C	C	.	.			trans	-72.8	119.6	178.5	-64.2	0	0	0	0	109.3	V112 F117 F204 L217 V234 K266	V112-V231 HydrophobicContact CG1-CG1 4.2Å; F117-V231 HydrophobicContact CD1-CG1 4.21Å; F117-V231 HydrophobicContact CD2-CB 4.16Å; F117-V231 HydrophobicContact CD2-CG1 4.11Å; F117-V231 HydrophobicContact CE1-CG1 3.93Å; F117-V231 HydrophobicContact CE2-CB 4.28Å; F117-V231 HydrophobicContact CE2-CG1 3.79Å; F117-V231 HydrophobicContact CG-CB 4.35Å; F117-V231 HydrophobicContact CG-CG1 4.32Å; F117-V231 HydrophobicContact CG-CG2 4.35Å; F117-V231 HydrophobicContact CZ-CG1 3.71Å; F204-V231 HydrophobicContact CE1-CG1 4.04Å; F204-V231 HydrophobicContact CZ-CG1 3.87Å; L217-V231 HydrophobicContact CD2-CG1 4.42Å; L217-V231 HydrophobicContact CD2-CG2 3.79Å; V231-V234 HydrophobicContact CB-CG2 4.21Å; V231-V234 HydrophobicContact CG2-CG2 3.56Å; V231-K266 WeakPolarHBondContact O-CE 3.37Å; V231-K266 PolarHBondContact O-NZ 2.89Å
232	R	91	Very high	95.4	Very high	150 Å²	150	25.8 Å²	25.8	57%	0.566	11%	0.114	S	C	*	.			trans	-97.3	-33.4	-175.5	-57.9	174.4	-70	-169.5	-0.5	112.4	E113 I230 V234	E113-R232 VanDerWaalsContact CD-NH2 3.26Å; E113-R232 WeakPolarHBondContact OE1-CB 3.34Å; E113-R232 IonicContact OE1-CZ 3.42Å; E113-R232 VanDerWaalsContact OE1-CZ 3.3Å; E113-R232 IonicContact OE1-NE 2.7Å; E113-R232 PolarHBondContact OE1-NE 2.97Å; E113-R232 IonicContact OE1-NH2 2.9Å; E113-R232 PolarHBondContact OE1-NH2 3.45Å; E113-R232 VanDerWaalsContact OE1-NH2 3.1Å; E113-R232 IonicContact OE2-CZ 2.64Å; E113-R232 IonicContact OE2-NE 2.84Å; E113-R232 IonicContact OE2-NH2 3.3Å; E113-R232 PolarHBondContact OE2-NH2 2.98Å; I230-R232 PolarHBondContact O-N 3.31Å; R232-V234 PolarHBondContact O-N 3.29Å
233	N	88.6	Confident	95.4	Very high	78 Å²	78	26.2 Å²	26.2	42%	0.417	12%	0.119	S	C	.	.			trans	-83.2	53.5	-178.7	-168.1	24.7	0	0	0	112.6	E113	E113-N233 PolarHBondContact O-ND2 3.32Å
234	V	96.6	Very high	95.1	Very high	4 Å²	4	31 Å²	31	2%	0.024	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	118.9	174.9	-173	0	0	0	0	108.3	F117 H119 V231 R232 T236 V237 K266 S269	F117-V234 HydrophobicContact CB-CG2 4.01Å; H119-V234 HydrophobicContact CB-CG1 3.77Å; H119-V234 HydrophobicContact CB-CG2 4.25Å; V231-V234 HydrophobicContact CB-CG2 4.21Å; V231-V234 HydrophobicContact CG2-CG2 3.56Å; R232-V234 PolarHBondContact O-N 3.29Å; V234-T236 VanDerWaalsContact CG1-O 3.26Å; V234-T236 WeakPolarHBondContact CG1-O 3.28Å; V234-V237 HydrophobicContact CG1-CG2 3.83Å; V234-K266 HydrophobicContact CB-CG 3.74Å; V234-K266 HydrophobicContact CG2-CG 4.15Å; V234-K266 WeakPolarHBondContact O-CB 3.38Å; V234-S269 WeakPolarHBondContact O-CB 3.49Å
235	R	96.9	Very high	94.5	Very high	139 Å²	139	31 Å²	31	53%	0.525	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	-15.3	178.3	-50.6	-173.6	178	174.1	-3.8	114.5	H270 Q338	R235-H270 PolarHBondContact O-N 3.26Å; R235-Q338 PolarHBondContact O-NE2 2.83Å; R235-Q338 VanDerWaalsContact O-NE2 3.14Å
236	T	98.5	Very high	94	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.006	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	118.7	179.2	-53.1	0	0	0	0	109.2	I118 H119 V234 F272 L331 D334 Q338	I118-T236 WeakPolarHBondContact CA-O 3.32Å; I118-T236 HydrophobicContact CG1-CG2 4.48Å; I118-T236 HydrophobicContact CG2-CG2 4.25Å; H119-T236 PolarHBondContact N-O 3.37Å; V234-T236 VanDerWaalsContact CG1-O 3.26Å; V234-T236 WeakPolarHBondContact CG1-O 3.28Å; T236-F272 HydrophobicContact CG2-CD2 4.39Å; T236-F272 HydrophobicContact CG2-CE2 4.35Å; T236-L331 HydrophobicContact CG2-CB 4.26Å; T236-L331 HydrophobicContact CG2-CD2 3.61Å; T236-D334 WeakPolarHBondContact CB-OD2 3.46Å; T236-D334 HydrophobicContact CG2-CB 4.13Å; T236-D334 VanDerWaalsContact CG2-OD2 3.28Å; T236-D334 WeakPolarHBondContact CG2-OD2 3.49Å; T236-D334 PolarHBondContact OG1-OD2 3.42Å; T236-Q338 PolarHBondContact OG1-NE2 3.42Å
237	V	98.8	Very high	93.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	133.2	-175.1	171.8	0	0	0	0	109.8	H119 V234 I239 I264 I265 H270 V271 F272	H119-V237 WeakPolarHBondContact O-CA 3.44Å; V234-V237 HydrophobicContact CG1-CG2 3.83Å; V237-I239 HydrophobicContact CG1-CD1 4.22Å; V237-I264 HydrophobicContact CG1-CD1 3.66Å; V237-I264 HydrophobicContact CG1-CG1 3.74Å; V237-I265 HydrophobicContact CG1-CG1 4.35Å; V237-H270 PolarHBondContact N-O 3.26Å; V237-V271 HydrophobicContact CB-CG2 4.31Å; V237-V271 HydrophobicContact CG1-CG1 4.29Å; V237-V271 CarbonylContact O-C 3.6Å; V237-V271 WeakPolarHBondContact O-CA 3.48Å; V237-F272 PolarHBondContact O-N 3.2Å
238	G	98.8	Very high	92.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	129.6	175	0	0	0	0	0	112.2	H119 V120 A121 F272	H119-G238 PolarHBondContact O-N 2.88Å; V120-G238 CarbonylContact C-O 3.56Å; V120-G238 VanDerWaalsContact CA-O 3.3Å; V120-G238 WeakPolarHBondContact CA-O 3.39Å; A121-G238 PolarHBondContact N-O 2.94Å; G238-F272 WeakPolarHBondContact CA-O 3.16Å
239	I	98.8	Very high	91.9	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	108.6	169	-52.4	-62.4	0	0	0	108.1	A121 V237 L242 K261 I264 V271 F272 T273 V275 I284	A121-I239 HydrophobicContact CB-CD1 3.97Å; A121-I239 WeakPolarHBondContact O-CA 3.38Å; V237-I239 HydrophobicContact CG1-CD1 4.22Å; I239-L242 HydrophobicContact CG2-CD1 4.48Å; I239-L242 HydrophobicContact CG2-CD2 4.31Å; I239-K261 WeakPolarHBondContact CD1-O 3.31Å; I239-I264 HydrophobicContact CD1-CD1 4.1Å; I239-I264 HydrophobicContact CD1-CG1 3.96Å; I239-V271 HydrophobicContact CG1-CG1 4.16Å; I239-F272 PolarHBondContact N-O 3.43Å; I239-T273 WeakPolarHBondContact O-CA 3.39Å; I239-T273 PolarHBondContact O-OG1 2.87Å; I239-T273 VanDerWaalsContact O-OG1 3.11Å; I239-V275 HydrophobicContact CG2-CG2 4.23Å; I239-I284 HydrophobicContact CG2-CD1 4.05Å
240	T	97.9	Very high	91.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.202	C	C	.	.			trans	-79.4	-177.7	176.5	80.7	0	0	0	0	110.8	V120 A121 G122 K124 K126 T129 V275 L327	V120-T240 HydrophobicContact CG1-CG2 3.66Å; A121-T240 PolarHBondContact O-N 3.3Å; G122-T240 WeakPolarHBondContact CA-OG1 2.99Å; K124-T240 VanDerWaalsContact O-CB 3.24Å; K124-T240 WeakPolarHBondContact O-CB 3.36Å; K124-T240 PolarHBondContact O-OG1 2.89Å; K126-T240 HydrophobicContact CG-CG2 4.39Å; T129-T240 HydrophobicContact CG2-CG2 4.43Å; T240-V275 WeakPolarHBondContact O-CG2 3.3Å; T240-L327 HydrophobicContact CG2-CD2 3.79Å
241	S	95.4	Very high	91	Very high	17 Å²	17	43 Å²	43	12%	0.119	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-46.4	144.6	-179.9	66.4	0	0	0	0	113.5	T123 K124 H274	T123-S241 WeakPolarHBondContact CA-O 3.23Å; T123-S241 WeakPolarHBondContact CB-O 3.27Å; T123-S241 PolarHBondContact N-O 2.94Å; K124-S241 VanDerWaalsContact C-OG 3.3Å; K124-S241 WeakPolarHBondContact CA-OG 3.5Å; K124-S241 WeakPolarHBondContact CB-OG 3.46Å; K124-S241 PolarHBondContact N-O 3.29Å; K124-S241 PolarHBondContact N-OG 3.44Å; K124-S241 PolarHBondContact O-N 2.85Å; K124-S241 PolarHBondContact O-OG 3.09Å; S241-H274 PolarHBondContact N-NE2 3.44Å
242	L	95.4	Very high	90.8	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	25%	0.246	C	C	.	.			trans	-114.7	135.9	-178.9	-64.6	-176.7	0	0	0	110.6	I239 A258 K261 V275 Q277 C280 I284	I239-L242 HydrophobicContact CG2-CD1 4.48Å; I239-L242 HydrophobicContact CG2-CD2 4.31Å; L242-A258 HydrophobicContact CD1-CB 3.76Å; L242-K261 HydrophobicContact CD2-CB 4.2Å; L242-K261 HydrophobicContact CD2-CD 3.13Å; L242-K261 HydrophobicContact CD2-CG 4.28Å; L242-V275 HydrophobicContact CB-CG2 4.37Å; L242-V275 HydrophobicContact CD1-CG1 4.05Å; L242-V275 HydrophobicContact CD1-CG2 3.84Å; L242-V275 HydrophobicContact CG-CG1 4.38Å; L242-V275 HydrophobicContact CG-CG2 3.62Å; L242-Q277 PolarHBondContact O-NE2 3.33Å; L242-C280 HydrophobicContact CD1-CB 3.71Å; L242-I284 HydrophobicContact CD1-CD1 4.08Å
243	G	91.6	Very high	91	Very high	12 Å²	12	48.7 Å²	48.7	12%	0.124	24%	0.238	C	C	.	.			trans	-161.6	159.1	-178.7	0	0	0	0	0	110.8	T123 E245	T123-G243 WeakPolarHBondContact CG2-O 3.33Å; T123-G243 PolarHBondContact OG1-N 2.83Å; T123-G243 PolarHBondContact OG1-O 3.25Å; G243-E245 PolarHBondContact O-N 3.14Å; G243-E245 VanDerWaalsContact O-N 3.11Å
244	L	88.4	Confident	91.4	Very high	100 Å²	100	46.8 Å²	46.8	52%	0.524	23%	0.228	S	C	.	.			trans	-62.9	109.9	179.1	-65.9	176.6	0	0	0	110.6	T247 L254 I257	L244-T247 HydrophobicContact CB-CG2 4.14Å; L244-T247 HydrophobicContact CD2-CG2 4.25Å; L244-L254 HydrophobicContact CD2-CD2 4.1Å; L244-L254 HydrophobicContact CD2-CG 4.29Å; L244-L254 HydrophobicContact CG-CD2 4.05Å; L244-L254 HydrophobicContact CG-CG 4.44Å; L244-I257 HydrophobicContact CB-CD1 4.47Å; L244-I257 HydrophobicContact CD2-CD1 3.74Å
245	E	82.4	Confident	91.4	Very high	27 Å²	27	48.9 Å²	48.9	13%	0.126	24%	0.241	C	C	.	.			trans	-153	142.9	179.2	-171.3	178	-135.8	0	0	109.1	T123 K124 G243 T247 H384	T123-E245 HydrophobicContact CG2-CB 3.76Å; T123-E245 VanDerWaalsContact CG2-OE2 3.27Å; T123-E245 WeakPolarHBondContact CG2-OE2 3.32Å; K124-E245 IonicContact NZ-OE1 2.74Å; K124-E245 PolarHBondContact NZ-OE1 2.69Å; K124-E245 IonicContact NZ-OE2 3.96Å; G243-E245 PolarHBondContact O-N 3.14Å; G243-E245 VanDerWaalsContact O-N 3.11Å; E245-T247 VanDerWaalsContact C-N 3.26Å; E245-T247 PolarHBondContact O-N 3.26Å; E245-H384 IonicContact OE1-NE2 3.88Å; E245-H384 PolarHBondContact OE1-NE2 2.76Å
246	H	81.7	Confident	91.4	Very high	83 Å²	83	46.5 Å²	46.5	38%	0.384	24%	0.236	S	C	.	.	S	Bend	trans	52.8	43.4	-175.5	-55.2	-63.1	0	0	0	112.6	I221 E248 L249 L250	I221-H246 HydrophobicContact CG2-CB 4.48Å; H246-E248 PolarHBondContact O-N 3.08Å; H246-E248 VanDerWaalsContact O-N 3.14Å; H246-L249 HydrophobicContact CB-CB 4.29Å; H246-L249 HydrophobicContact CB-CD1 4.3Å; H246-L249 WeakPolarHBondContact O-CA 3.4Å; H246-L249 WeakPolarHBondContact O-CB 3.38Å; H246-L249 PolarHBondContact O-N 3.15Å; H246-L250 HydrophobicContact CB-CD1 4.08Å; H246-L250 HydrophobicContact CB-CG 4.06Å; H246-L250 PolarHBondContact O-N 3.47Å
247	T	83.6	Confident	91.3	Very high	55 Å²	55	46.5 Å²	46.5	34%	0.337	24%	0.236	S	C	.	.	H	α-helix	trans	-65.7	-19.4	-172.1	52.4	0	0	0	0	114.5	L244 E245 G251	L244-T247 HydrophobicContact CB-CG2 4.14Å; L244-T247 HydrophobicContact CD2-CG2 4.25Å; E245-T247 VanDerWaalsContact C-N 3.26Å; E245-T247 PolarHBondContact O-N 3.26Å; T247-G251 CarbonylContact C-O 3.55Å; T247-G251 WeakPolarHBondContact CA-O 3.23Å; T247-G251 WeakPolarHBondContact CB-O 3.45Å; T247-G251 CarbonylContact O-C 3.41Å
248	E	79.6	Confident	91.2	Very high	150 Å²	150	46.5 Å²	46.5	70%	0.701	24%	0.236	S	C	*	.	H	α-helix	trans	-69.5	-22.8	169.1	-64.1	-173.6	-174.3	0	0	112.9	R84 H246	R84-E248 IonicContact NH1-OE2 3.65Å; H246-E248 PolarHBondContact O-N 3.08Å; H246-E248 VanDerWaalsContact O-N 3.14Å
249	L	77.3	Confident	91.2	Very high	56 Å²	56	51.4 Å²	51.4	29%	0.293	26%	0.255	S	S	.	.	H	α-helix	trans	-108.7	-41.8	-174	-59	177.6	0	0	0	112.7	R84 M87 H246	R84-L249 HydrophobicContact CG-CD2 4.5Å; M87-L249 HydrophobicContact CE-CD1 3.81Å; M87-L249 HydrophobicContact CE-CD2 3.32Å; M87-L249 HydrophobicContact CE-CG 4.05Å; M87-L249 HydrophobicContact SD-CD2 4.44Å; H246-L249 HydrophobicContact CB-CB 4.29Å; H246-L249 HydrophobicContact CB-CD1 4.3Å; H246-L249 WeakPolarHBondContact O-CA 3.4Å; H246-L249 WeakPolarHBondContact O-CB 3.38Å; H246-L249 PolarHBondContact O-N 3.15Å
250	L	85.3	Confident	91.1	Very high	12 Å²	12	52.9 Å²	52.9	6%	0.063	26%	0.261	C	S	.	.	H	α-helix	trans	-101.9	-5.4	-168.9	-58.6	-175.2	0	0	0	114	I221 G222 H246 E256 I257 Q260	I221-L250 HydrophobicContact CG2-CD1 4.24Å; I221-L250 HydrophobicContact CG2-CD2 4.07Å; I221-L250 HydrophobicContact CG2-CG 4.33Å; G222-L250 VanDerWaalsContact CA-CD2 3.48Å; H246-L250 HydrophobicContact CB-CD1 4.08Å; H246-L250 HydrophobicContact CB-CG 4.06Å; H246-L250 PolarHBondContact O-N 3.47Å; L250-E256 CarbonylContact O-C 3.59Å; L250-I257 HydrophobicContact CB-CG1 4.14Å; L250-Q260 HydrophobicContact CB-CG 4.28Å; L250-Q260 HydrophobicContact CD2-CB 4.21Å; L250-Q260 HydrophobicContact CD2-CG 4.05Å
251	G	87.8	Confident	91.1	Very high	17 Å²	17	53 Å²	53	18%	0.175	26%	0.262	C	S	.	.			trans	107.9	163.9	-172	0	0	0	0	0	112.6	T247 E256	T247-G251 CarbonylContact C-O 3.55Å; T247-G251 WeakPolarHBondContact CA-O 3.23Å; T247-G251 WeakPolarHBondContact CB-O 3.45Å; T247-G251 CarbonylContact O-C 3.41Å; G251-E256 WeakPolarHBondContact CA-OE2 3.32Å
252	R	92.4	Very high	91.2	Very high	206 Å²	206	52.2 Å²	52.2	78%	0.777	26%	0.256	S	S	*	.	S	Bend	trans	-98.8	-1.3	-173	-66	-177.8	175.2	174.2	-1.5	113.1	E256	R252-E256 PolarHBondContact N-OE2 3.36Å
253	T	95.3	Very high	91.3	Very high	64 Å²	64	52.3 Å²	52.3	39%	0.393	26%	0.258	S	S	.	.	S	Bend	trans	-124.1	155.4	-177.5	68.3	0	0	0	0	111.8	E256 I257	T253-E256 WeakPolarHBondContact CB-OE2 3.21Å; T253-E256 PolarHBondContact N-OE2 3.46Å; T253-E256 PolarHBondContact O-N 3.27Å; T253-E256 VanDerWaalsContact OG1-CD 3.25Å; T253-E256 VanDerWaalsContact OG1-CG 3.24Å; T253-E256 WeakPolarHBondContact OG1-CG 3.44Å; T253-E256 PolarHBondContact OG1-N 3.16Å; T253-E256 PolarHBondContact OG1-OE2 3.42Å; T253-I257 WeakPolarHBondContact O-CG1 3.41Å; T253-I257 PolarHBondContact O-N 3.46Å
254	L	95.9	Very high	91.6	Very high	39 Å²	39	51.8 Å²	51.8	20%	0.204	25%	0.252	C	S	.	.	H	α-helix	trans	-59.5	-41.2	176.3	-71.8	176.7	0	0	0	113.1	L244 E256 I257 A258 E279	L244-L254 HydrophobicContact CD2-CD2 4.1Å; L244-L254 HydrophobicContact CD2-CG 4.29Å; L244-L254 HydrophobicContact CG-CD2 4.05Å; L244-L254 HydrophobicContact CG-CG 4.44Å; L254-E256 PolarHBondContact O-N 2.87Å; L254-I257 PolarHBondContact O-N 2.73Å; L254-A258 WeakPolarHBondContact O-CB 3.18Å; L254-A258 PolarHBondContact O-N 3.42Å; L254-E279 HydrophobicContact CB-CG 4.39Å; L254-E279 WeakPolarHBondContact CD1-OE1 3.34Å
255	P	97.9	Very high	92.1	Very high	47 Å²	47	47.1 Å²	47.1	31%	0.305	23%	0.227	S	C	.	.	H	α-helix	trans	-60.4	-40.3	174.5	-29	38.5	0	0	0	114.9	I257 A258 W259 E279 V283	P255-I257 VanDerWaalsContact C-N 3.33Å; P255-I257 PolarHBondContact O-N 3.08Å; P255-A258 PolarHBondContact O-N 3.02Å; P255-W259 PolarHBondContact O-N 3.43Å; P255-E279 HydrophobicContact CG-CB 4.1Å; P255-E279 HydrophobicContact CG-CG 4.02Å; P255-V283 HydrophobicContact CB-CG2 3.94Å
256	E	96.6	Very high	92.8	Very high	90 Å²	90	47 Å²	47	42%	0.421	23%	0.227	S	C	.	.	H	α-helix	trans	-63.7	-41.6	176.3	-69.6	165.4	133.5	0	0	111.2	L250 G251 R252 T253 L254 W259 Q260	L250-E256 CarbonylContact O-C 3.59Å; G251-E256 WeakPolarHBondContact CA-OE2 3.32Å; R252-E256 PolarHBondContact N-OE2 3.36Å; T253-E256 WeakPolarHBondContact CB-OE2 3.21Å; T253-E256 PolarHBondContact N-OE2 3.46Å; T253-E256 PolarHBondContact O-N 3.27Å; T253-E256 VanDerWaalsContact OG1-CD 3.25Å; T253-E256 VanDerWaalsContact OG1-CG 3.24Å; T253-E256 WeakPolarHBondContact OG1-CG 3.44Å; T253-E256 PolarHBondContact OG1-N 3.16Å; T253-E256 PolarHBondContact OG1-OE2 3.42Å; L254-E256 PolarHBondContact O-N 2.87Å; E256-W259 WeakPolarHBondContact O-CB 3.31Å; E256-W259 PolarHBondContact O-N 3.39Å; E256-Q260 WeakPolarHBondContact O-CG 3.39Å; E256-Q260 PolarHBondContact O-N 3.16Å
257	I	95.8	Very high	93.6	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-65	-41.5	175.9	-68.6	-179.6	0	0	0	111.1	L244 L250 T253 L254 P255 W259 Q260 K261	L244-I257 HydrophobicContact CB-CD1 4.47Å; L244-I257 HydrophobicContact CD2-CD1 3.74Å; L250-I257 HydrophobicContact CB-CG1 4.14Å; T253-I257 WeakPolarHBondContact O-CG1 3.41Å; T253-I257 PolarHBondContact O-N 3.46Å; L254-I257 PolarHBondContact O-N 2.73Å; P255-I257 VanDerWaalsContact C-N 3.33Å; P255-I257 PolarHBondContact O-N 3.08Å; I257-W259 VanDerWaalsContact C-N 3.33Å; I257-Q260 PolarHBondContact O-N 3.39Å; I257-K261 HydrophobicContact CG2-CD 3.76Å; I257-K261 WeakPolarHBondContact O-CD 3.19Å; I257-K261 WeakPolarHBondContact O-CG 3.42Å; I257-K261 PolarHBondContact O-N 3.47Å
258	A	98.1	Very high	94.3	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-61.5	-42.1	174.8	0	0	0	0	0	111.1	L242 L254 P255 K261 A262 C280 V283	L242-A258 HydrophobicContact CD1-CB 3.76Å; L254-A258 WeakPolarHBondContact O-CB 3.18Å; L254-A258 PolarHBondContact O-N 3.42Å; P255-A258 PolarHBondContact O-N 3.02Å; A258-K261 PolarHBondContact O-N 3.07Å; A258-A262 WeakPolarHBondContact O-CB 3.32Å; A258-A262 PolarHBondContact O-N 3.11Å; A258-C280 HydrophobicContact CB-CB 3.96Å; A258-V283 HydrophobicContact CB-CB 3.97Å; A258-V283 HydrophobicContact CB-CG1 4.03Å
259	W	98.1	Very high	95.1	Very high	104 Å²	104	41.1 Å²	41.1	39%	0.394	22%	0.217	S	C	.	.	H	α-helix	trans	-60.7	-49	177.1	-176.2	91.7	0	0	0	111.2	E224 P255 E256 I257 K261 A262 G263 V283	E224-W259 HydrophobicContact CB-CH2 4.38Å; E224-W259 HydrophobicContact CB-CZ3 4.07Å; E224-W259 HydrophobicContact CG-CH2 3.78Å; E224-W259 HydrophobicContact CG-CZ3 3.96Å; P255-W259 PolarHBondContact O-N 3.43Å; E256-W259 WeakPolarHBondContact O-CB 3.31Å; E256-W259 PolarHBondContact O-N 3.39Å; I257-W259 VanDerWaalsContact C-N 3.33Å; W259-K261 VanDerWaalsContact C-N 3.33Å; W259-K261 PolarHBondContact O-N 3.01Å; W259-A262 PolarHBondContact O-N 3.43Å; W259-G263 PolarHBondContact O-N 3.43Å; W259-G263 VanDerWaalsContact O-N 3.12Å; W259-V283 HydrophobicContact CB-CG1 3.84Å
260	Q	96.1	Very high	96.2	Very high	30 Å²	30	40.7 Å²	40.7	14%	0.14	21%	0.213	C	C	.	.	H	α-helix	trans	-57.5	-45.3	177.4	-74.4	-69.4	-19.9	0	0	111.8	G223 E224 L250 E256 I257 G263	G223-Q260 CarbonylContact C-O 3.45Å; G223-Q260 WeakPolarHBondContact CA-O 3.39Å; G223-Q260 PolarHBondContact N-O 3.23Å; E224-Q260 PolarHBondContact N-O 3.44Å; L250-Q260 HydrophobicContact CB-CG 4.28Å; L250-Q260 HydrophobicContact CD2-CB 4.21Å; L250-Q260 HydrophobicContact CD2-CG 4.05Å; E256-Q260 WeakPolarHBondContact O-CG 3.39Å; E256-Q260 PolarHBondContact O-N 3.16Å; I257-Q260 PolarHBondContact O-N 3.39Å; Q260-G263 WeakPolarHBondContact O-CA 3.33Å; Q260-G263 PolarHBondContact O-N 3.37Å; Q260-G263 VanDerWaalsContact O-N 3.17Å
261	K	97.5	Very high	96.8	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.017	21%	0.21	C	C	.	.	H	α-helix	trans	-77.4	-36.2	-175.7	-70.1	162.4	-168.3	-64.3	0	112.9	A121 G122 T123 G222 I239 L242 I257 A258 W259 G263	A121-K261 HydrophobicContact CB-CB 4.12Å; A121-K261 WeakPolarHBondContact CB-O 3.4Å; G122-K261 PolarHBondContact O-NZ 2.84Å; T123-K261 WeakPolarHBondContact OG1-CE 3.19Å; T123-K261 PolarHBondContact OG1-NZ 3.45Å; G222-K261 VanDerWaalsContact O-CG 3.28Å; G222-K261 WeakPolarHBondContact O-CG 3.25Å; I239-K261 WeakPolarHBondContact CD1-O 3.31Å; L242-K261 HydrophobicContact CD2-CB 4.2Å; L242-K261 HydrophobicContact CD2-CD 3.13Å; L242-K261 HydrophobicContact CD2-CG 4.28Å; I257-K261 HydrophobicContact CG2-CD 3.76Å; I257-K261 WeakPolarHBondContact O-CD 3.19Å; I257-K261 WeakPolarHBondContact O-CG 3.42Å; I257-K261 PolarHBondContact O-N 3.47Å; A258-K261 PolarHBondContact O-N 3.07Å; W259-K261 VanDerWaalsContact C-N 3.33Å; W259-K261 PolarHBondContact O-N 3.01Å; K261-G263 PolarHBondContact O-N 2.72Å; K261-G263 VanDerWaalsContact O-N 3.12Å
262	A	98.4	Very high	97.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-68	-1.8	167.8	0	0	0	0	0	112.6	A258 W259 I264 I265 I284 R287	A258-A262 WeakPolarHBondContact O-CB 3.32Å; A258-A262 PolarHBondContact O-N 3.11Å; W259-A262 PolarHBondContact O-N 3.43Å; A262-I264 PolarHBondContact O-N 3.2Å; A262-I265 HydrophobicContact CB-CD1 3.93Å; A262-I265 WeakPolarHBondContact O-CG1 3.49Å; A262-I265 PolarHBondContact O-N 3Å; A262-I284 HydrophobicContact CB-CG1 4.31Å; A262-R287 HydrophobicContact CB-CB 3.96Å; A262-R287 HydrophobicContact CB-CG 3.86Å; A262-R287 PolarHBondContact O-NE 2.92Å; A262-R287 PolarHBondContact O-NH2 3.44Å
263	G	97.6	Very high	97.6	Very high	3 Å²	3	29.5 Å²	29.5	3%	0.031	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-52.2	-24.4	168.2	0	0	0	0	0	116	E224 N229 W259 Q260 K261	E224-G263 VanDerWaalsContact OE2-CA 3.3Å; E224-G263 WeakPolarHBondContact OE2-CA 3.45Å; N229-G263 PolarHBondContact ND2-O 2.77Å; W259-G263 PolarHBondContact O-N 3.43Å; W259-G263 VanDerWaalsContact O-N 3.12Å; Q260-G263 WeakPolarHBondContact O-CA 3.33Å; Q260-G263 PolarHBondContact O-N 3.37Å; Q260-G263 VanDerWaalsContact O-N 3.17Å; K261-G263 PolarHBondContact O-N 2.72Å; K261-G263 VanDerWaalsContact O-N 3.12Å
264	I	98.1	Very high	97.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-89.2	-5.8	-177.8	67.2	162.1	0	0	0	114.3	H119 A121 V219 V237 I239 A262 K266	H119-I264 HydrophobicContact CB-CD1 4.12Å; H119-I264 WeakPolarHBondContact O-CD1 3.29Å; A121-I264 HydrophobicContact CB-CD1 3.56Å; A121-I264 HydrophobicContact CB-CG1 3.96Å; A121-I264 HydrophobicContact CB-CG2 4.39Å; V219-I264 HydrophobicContact CG2-CD1 4.39Å; V219-I264 HydrophobicContact CG2-CG2 3.66Å; V237-I264 HydrophobicContact CG1-CD1 3.66Å; V237-I264 HydrophobicContact CG1-CG1 3.74Å; I239-I264 HydrophobicContact CD1-CD1 4.1Å; I239-I264 HydrophobicContact CD1-CG1 3.96Å; A262-I264 PolarHBondContact O-N 3.2Å; I264-K266 VanDerWaalsContact O-CE 3.23Å; I264-K266 WeakPolarHBondContact O-CE 3.46Å; I264-K266 PolarHBondContact O-N 3.03Å
265	I	98.7	Very high	97.7	Very high	2 Å²	2	27 Å²	27	1%	0.01	15%	0.148	C	C	.	.			trans	-63.2	128.7	178.3	-63.3	175	0	0	0	109	V237 A262 V271 I284 R287 H291 A293	V237-I265 HydrophobicContact CG1-CG1 4.35Å; A262-I265 HydrophobicContact CB-CD1 3.93Å; A262-I265 WeakPolarHBondContact O-CG1 3.49Å; A262-I265 PolarHBondContact O-N 3Å; I265-V271 HydrophobicContact CB-CG2 4.4Å; I265-V271 HydrophobicContact CD1-CG1 4.13Å; I265-V271 HydrophobicContact CD1-CG2 4.07Å; I265-V271 HydrophobicContact CG1-CG1 4.23Å; I265-V271 HydrophobicContact CG1-CG2 3.85Å; I265-V271 HydrophobicContact CG2-CG2 3.82Å; I265-I284 HydrophobicContact CD1-CG2 4.42Å; I265-R287 HydrophobicContact CD1-CB 4Å; I265-H291 HydrophobicContact CG2-CB 3.87Å; I265-A293 HydrophobicContact CG2-CB 3.72Å
266	K	97.7	Very high	97.6	Very high	26 Å²	26	30.1 Å²	30.1	11%	0.113	17%	0.166	C	C	.	.			trans	-107.7	159.9	-179.9	-53.7	-55.1	174	164.3	0	111.3	N229 V231 V234 I264 G268 S269	N229-K266 PolarHBondContact O-NZ 3.01Å; N229-K266 WeakPolarHBondContact OD1-CE 3.47Å; N229-K266 PolarHBondContact OD1-NZ 3.16Å; V231-K266 WeakPolarHBondContact O-CE 3.37Å; V231-K266 PolarHBondContact O-NZ 2.89Å; V234-K266 HydrophobicContact CB-CG 3.74Å; V234-K266 HydrophobicContact CG2-CG 4.15Å; V234-K266 WeakPolarHBondContact O-CB 3.38Å; I264-K266 VanDerWaalsContact O-CE 3.23Å; I264-K266 WeakPolarHBondContact O-CE 3.46Å; I264-K266 PolarHBondContact O-N 3.03Å; K266-G268 PolarHBondContact O-N 2.74Å; K266-S269 PolarHBondContact N-OG 3.41Å; K266-S269 WeakPolarHBondContact O-CB 3.2Å; K266-S269 PolarHBondContact O-N 2.92Å; K266-S269 VanDerWaalsContact O-N 3.11Å; K266-S269 PolarHBondContact O-OG 3.33Å
267	T	97.6	Very high	97.6	Very high	112 Å²	112	28.1 Å²	28.1	69%	0.687	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	125.2	-178.7	-56.8	0	0	0	0	111.5	S269 H291	T267-S269 PolarHBondContact O-N 2.71Å; T267-H291 CarbonylContact C-O 2.9Å; T267-H291 WeakPolarHBondContact CA-O 3.45Å
268	G	97.6	Very high	97.7	Very high	50 Å²	50	32.7 Å²	32.7	52%	0.515	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	9.4	179.4	0	0	0	0	0	115.6	K266 H291 S292	K266-G268 PolarHBondContact O-N 2.74Å; G268-H291 PolarHBondContact N-O 3.35Å; G268-S292 WeakPolarHBondContact CA-O 3.49Å
269	S	98.2	Very high	97.6	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.007	21%	0.205	C	C	.	.			trans	-73.2	157.9	179.2	58.6	0	0	0	0	112.7	V234 K266 T267 A293 T294	V234-S269 WeakPolarHBondContact O-CB 3.49Å; K266-S269 PolarHBondContact N-OG 3.41Å; K266-S269 WeakPolarHBondContact O-CB 3.2Å; K266-S269 PolarHBondContact O-N 2.92Å; K266-S269 VanDerWaalsContact O-N 3.11Å; K266-S269 PolarHBondContact O-OG 3.33Å; T267-S269 PolarHBondContact O-N 2.71Å; S269-A293 CarbonylContact O-C 3.56Å; S269-A293 VanDerWaalsContact O-CA 3.3Å; S269-A293 WeakPolarHBondContact O-CA 3.27Å; S269-A293 WeakPolarHBondContact O-CB 3.13Å; S269-T294 PolarHBondContact O-N 2.77Å
270	H	98.6	Very high	97.7	Very high	47 Å²	47	31.8 Å²	31.8	22%	0.218	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	127.5	163.8	-65.4	177.7	0	0	0	108.9	R235 V237 F272 Y296 D334	R235-H270 PolarHBondContact O-N 3.26Å; V237-H270 PolarHBondContact N-O 3.26Å; H270-F272 HydrophobicContact CB-CE2 3.7Å; H270-F272 HydrophobicContact CB-CZ 4.28Å; H270-Y296 HydrophobicContact CB-CD2 4.33Å; H270-Y296 HydrophobicContact CB-CE2 3.91Å; H270-Y296 AromaticContact CG-CE2 3.84Å; H270-D334 IonicContact CE1-OD1 3.86Å; H270-D334 IonicContact CG-OD1 3.68Å; H270-D334 IonicContact ND1-OD1 2.65Å; H270-D334 PolarHBondContact ND1-OD1 3.22Å; H270-D334 IonicContact ND1-OD2 3.24Å
271	V	98.8	Very high	97.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	120.6	-176.7	-175	0	0	0	0	108.4	V237 I239 I265 A293 T294 L295 Y296	V237-V271 HydrophobicContact CB-CG2 4.31Å; V237-V271 HydrophobicContact CG1-CG1 4.29Å; V237-V271 CarbonylContact O-C 3.6Å; V237-V271 WeakPolarHBondContact O-CA 3.48Å; I239-V271 HydrophobicContact CG1-CG1 4.16Å; I265-V271 HydrophobicContact CB-CG2 4.4Å; I265-V271 HydrophobicContact CD1-CG1 4.13Å; I265-V271 HydrophobicContact CD1-CG2 4.07Å; I265-V271 HydrophobicContact CG1-CG1 4.23Å; I265-V271 HydrophobicContact CG1-CG2 3.85Å; I265-V271 HydrophobicContact CG2-CG2 3.82Å; V271-A293 HydrophobicContact CG2-CB 4.15Å; V271-T294 PolarHBondContact N-O 2.81Å; V271-L295 HydrophobicContact CB-CD1 4.01Å; V271-L295 HydrophobicContact CG1-CD1 3.78Å; V271-L295 CarbonylContact O-C 3.57Å; V271-L295 WeakPolarHBondContact O-CA 3.42Å; V271-Y296 PolarHBondContact O-N 3.03Å
272	F	98.8	Very high	97.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	137.4	177.9	-63.7	-91.6	0	0	0	110.5	T236 V237 G238 I239 H270 Y296 V298 L327 Q330 L331 D334 P346	T236-F272 HydrophobicContact CG2-CD2 4.39Å; T236-F272 HydrophobicContact CG2-CE2 4.35Å; V237-F272 PolarHBondContact O-N 3.2Å; G238-F272 WeakPolarHBondContact CA-O 3.16Å; I239-F272 PolarHBondContact N-O 3.43Å; H270-F272 HydrophobicContact CB-CE2 3.7Å; H270-F272 HydrophobicContact CB-CZ 4.28Å; F272-Y296 WeakPolarHBondContact CA-O 3.45Å; F272-Y296 HydrophobicContact CD1-CD2 4.16Å; F272-Y296 HydrophobicContact CD1-CG 4.17Å; F272-Y296 AromaticContact CE1-CD2 3.67Å; F272-Y296 HydrophobicContact CE1-CD2 3.67Å; F272-Y296 AromaticContact CE1-CG 3.79Å; F272-Y296 HydrophobicContact CE1-CG 3.79Å; F272-Y296 HydrophobicContact CE2-CD2 4.18Å; F272-Y296 AromaticContact CZ-CD2 3.68Å; F272-Y296 HydrophobicContact CZ-CD2 3.68Å; F272-Y296 HydrophobicContact CZ-CE2 4.19Å; F272-Y296 HydrophobicContact CZ-CG 4.26Å; F272-V298 HydrophobicContact CB-CG1 3.93Å; F272-V298 HydrophobicContact CD1-CG1 3.95Å; F272-V298 HydrophobicContact CG-CG1 4.44Å; F272-L327 HydrophobicContact CB-CD1 3.52Å; F272-L327 WeakPolarHBondContact O-CD1 3.36Å; F272-Q330 HydrophobicContact CD1-CB 3.58Å; F272-Q330 HydrophobicContact CD1-CG 4.27Å; F272-Q330 HydrophobicContact CE1-CB 3.87Å; F272-Q330 HydrophobicContact CE1-CG 4.47Å; F272-Q330 HydrophobicContact CG-CB 4.17Å; F272-L331 HydrophobicContact CB-CD2 4.07Å; F272-L331 HydrophobicContact CD2-CD2 3.94Å; F272-L331 HydrophobicContact CG-CD2 4.35Å; F272-D334 HydrophobicContact CE2-CB 3.55Å; F272-D334 VanDerWaalsContact CE2-CG 3.47Å; F272-D334 HydrophobicContact CZ-CB 3.63Å; F272-P346 HydrophobicContact CE1-CB 4.29Å; F272-P346 HydrophobicContact CZ-CB 4.5Å
273	T	98.8	Very high	97.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	146.4	-179.3	-173.7	0	0	0	0	112.7	I239 V275 L281 L295 Y296 E297 V298	I239-T273 WeakPolarHBondContact O-CA 3.39Å; I239-T273 PolarHBondContact O-OG1 2.87Å; I239-T273 VanDerWaalsContact O-OG1 3.11Å; T273-V275 VanDerWaalsContact OG1-CB 3.31Å; T273-V275 WeakPolarHBondContact OG1-CB 3.15Å; T273-V275 WeakPolarHBondContact OG1-CG2 3.41Å; T273-V275 PolarHBondContact OG1-N 3.42Å; T273-L281 HydrophobicContact CG2-CD2 4.06Å; T273-L295 HydrophobicContact CG2-CD1 3.79Å; T273-Y296 PolarHBondContact N-O 3.38Å; T273-E297 HydrophobicContact CG2-CG 4.22Å; T273-E297 WeakPolarHBondContact O-CA 3.42Å; T273-V298 PolarHBondContact O-N 2.87Å
274	H	96.9	Very high	97.9	Very high	46 Å²	46	36.5 Å²	36.5	21%	0.213	21%	0.21	C	C	.	.			trans	-110.3	15	166.5	62.1	-125.2	0	0	0	112.6	S241 T276 V298	S241-H274 PolarHBondContact N-NE2 3.44Å; H274-T276 PolarHBondContact O-N 2.85Å; H274-V298 HydrophobicContact CB-CG2 3.71Å
275	V	96.9	Very high	97.9	Very high	5 Å²	5	40.6 Å²	40.6	3%	0.03	23%	0.225	C	C	.	.			trans	-62.1	132.1	174.9	172.5	0	0	0	0	109.5	I239 T240 L242 T273 C280 L281 I284	I239-V275 HydrophobicContact CG2-CG2 4.23Å; T240-V275 WeakPolarHBondContact O-CG2 3.3Å; L242-V275 HydrophobicContact CB-CG2 4.37Å; L242-V275 HydrophobicContact CD1-CG1 4.05Å; L242-V275 HydrophobicContact CD1-CG2 3.84Å; L242-V275 HydrophobicContact CG-CG1 4.38Å; L242-V275 HydrophobicContact CG-CG2 3.62Å; T273-V275 VanDerWaalsContact OG1-CB 3.31Å; T273-V275 WeakPolarHBondContact OG1-CB 3.15Å; T273-V275 WeakPolarHBondContact OG1-CG2 3.41Å; T273-V275 PolarHBondContact OG1-N 3.42Å; V275-C280 HydrophobicContact CG1-CB 3.68Å; V275-L281 HydrophobicContact CB-CD2 4.21Å; V275-L281 HydrophobicContact CG1-CD2 4.28Å; V275-L281 HydrophobicContact CG1-CG 4.17Å; V275-L281 WeakPolarHBondContact O-CD2 3.3Å; V275-I284 HydrophobicContact CB-CD1 4.26Å; V275-I284 HydrophobicContact CG1-CD1 4.29Å; V275-I284 HydrophobicContact CG2-CD1 4.19Å
276	T	94	Very high	97.9	Very high	113 Å²	113	44.6 Å²	44.6	69%	0.693	24%	0.244	S	C	*	.			trans	-111.2	-16.8	-177	55.3	0	0	0	0	113.2	H274 P278	H274-T276 PolarHBondContact O-N 2.85Å; T276-P278 WeakPolarHBondContact O-CD 3.49Å
277	Q	96.6	Very high	97.9	Very high	48 Å²	48	44.2 Å²	44.2	22%	0.224	24%	0.242	C	C	.	.			trans	-68.6	118.5	-179.5	-60.6	92.1	-20.6	0	0	110.7	L242 E279 C280 L281	L242-Q277 PolarHBondContact O-NE2 3.33Å; Q277-E279 VanDerWaalsContact C-N 3.32Å; Q277-E279 PolarHBondContact O-N 3.41Å; Q277-C280 HydrophobicContact CB-CB 4.09Å; Q277-C280 WeakPolarHBondContact O-CB 3.43Å; Q277-C280 PolarHBondContact O-N 2.86Å; Q277-C280 VanDerWaalsContact O-N 3.09Å; Q277-L281 PolarHBondContact O-N 3.34Å
278	P	97.8	Very high	98	Very high	95 Å²	95	39.2 Å²	39.2	62%	0.617	21%	0.211	S	C	*	.	H	α-helix	trans	-57.7	-40.5	-175.2	-27.2	35.9	0	0	0	114	T276 C280 L281 E282	T276-P278 WeakPolarHBondContact O-CD 3.49Å; P278-C280 VanDerWaalsContact C-N 3.29Å; P278-C280 PolarHBondContact O-N 3.34Å; P278-L281 PolarHBondContact O-N 3.46Å; P278-E282 PolarHBondContact O-N 3.5Å
279	E	97.8	Very high	98	Very high	85 Å²	85	43.6 Å²	43.6	40%	0.397	22%	0.216	S	C	.	.	H	α-helix	trans	-67.4	-29.3	179.7	69.5	-82.7	-164.9	0	0	112.9	L254 P255 Q277 V283	L254-E279 HydrophobicContact CB-CG 4.39Å; L254-E279 WeakPolarHBondContact CD1-OE1 3.34Å; P255-E279 HydrophobicContact CG-CB 4.1Å; P255-E279 HydrophobicContact CG-CG 4.02Å; Q277-E279 VanDerWaalsContact C-N 3.32Å; Q277-E279 PolarHBondContact O-N 3.41Å; E279-V283 WeakPolarHBondContact O-CG2 3.48Å
280	C	98.3	Very high	98	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-77.6	-43.4	173.1	-68.3	0	0	0	0	111.4	L242 A258 V275 Q277 P278 E282 V283 I284	L242-C280 HydrophobicContact CD1-CB 3.71Å; A258-C280 HydrophobicContact CB-CB 3.96Å; V275-C280 HydrophobicContact CG1-CB 3.68Å; Q277-C280 HydrophobicContact CB-CB 4.09Å; Q277-C280 WeakPolarHBondContact O-CB 3.43Å; Q277-C280 PolarHBondContact O-N 2.86Å; Q277-C280 VanDerWaalsContact O-N 3.09Å; P278-C280 VanDerWaalsContact C-N 3.29Å; P278-C280 PolarHBondContact O-N 3.34Å; C280-E282 VanDerWaalsContact C-N 3.27Å; C280-E282 PolarHBondContact O-N 3Å; C280-V283 PolarHBondContact O-N 2.88Å; C280-I284 WeakPolarHBondContact O-CG1 3.47Å; C280-I284 PolarHBondContact O-N 3.48Å
281	L	98.3	Very high	98	Very high	10 Å²	10	48.4 Å²	48.4	5%	0.052	24%	0.238	C	C	.	.	H	α-helix	trans	-60.3	-37.7	178.2	-78.7	174.8	0	0	0	111.8	T273 V275 Q277 P278 V283 I284 R285 E297	T273-L281 HydrophobicContact CG2-CD2 4.06Å; V275-L281 HydrophobicContact CB-CD2 4.21Å; V275-L281 HydrophobicContact CG1-CD2 4.28Å; V275-L281 HydrophobicContact CG1-CG 4.17Å; V275-L281 WeakPolarHBondContact O-CD2 3.3Å; Q277-L281 PolarHBondContact O-N 3.34Å; P278-L281 PolarHBondContact O-N 3.46Å; L281-V283 VanDerWaalsContact C-N 3.35Å; L281-V283 PolarHBondContact O-N 2.83Å; L281-I284 PolarHBondContact O-N 3.42Å; L281-R285 WeakPolarHBondContact O-CB 3.35Å; L281-R285 VanDerWaalsContact O-CG 3.31Å; L281-R285 WeakPolarHBondContact O-CG 3.32Å; L281-R285 PolarHBondContact O-N 3.34Å; L281-E297 HydrophobicContact CD2-CG 4.24Å
282	E	98.5	Very high	98	Very high	97 Å²	97	52.9 Å²	52.9	45%	0.453	27%	0.27	S	S	.	.	H	α-helix	trans	-61.9	-43.4	176.3	-172.3	55.2	-152.7	0	0	111.9	P278 C280 I284 R285 Q286	P278-E282 PolarHBondContact O-N 3.5Å; C280-E282 VanDerWaalsContact C-N 3.27Å; C280-E282 PolarHBondContact O-N 3Å; E282-I284 PolarHBondContact O-N 3.2Å; E282-R285 PolarHBondContact O-N 2.85Å; E282-R285 IonicContact OE2-NH1 3.52Å; E282-Q286 WeakPolarHBondContact O-CB 3.41Å; E282-Q286 PolarHBondContact O-N 3.01Å
283	V	98.6	Very high	97.9	Very high	29 Å²	29	53.6 Å²	53.6	18%	0.176	28%	0.275	C	S	.	.	H	α-helix	trans	-63.2	-43.5	175.2	176.4	0	0	0	0	111.4	P255 A258 W259 E279 C280 L281 R285 Q286 R287	P255-V283 HydrophobicContact CB-CG2 3.94Å; A258-V283 HydrophobicContact CB-CB 3.97Å; A258-V283 HydrophobicContact CB-CG1 4.03Å; W259-V283 HydrophobicContact CB-CG1 3.84Å; E279-V283 WeakPolarHBondContact O-CG2 3.48Å; C280-V283 PolarHBondContact O-N 2.88Å; L281-V283 VanDerWaalsContact C-N 3.35Å; L281-V283 PolarHBondContact O-N 2.83Å; V283-R285 PolarHBondContact O-N 3.07Å; V283-Q286 PolarHBondContact O-N 3.08Å; V283-R287 HydrophobicContact CG1-CG 4.39Å; V283-R287 WeakPolarHBondContact O-CB 3.48Å; V283-R287 VanDerWaalsContact O-CG 3.25Å; V283-R287 WeakPolarHBondContact O-CG 3.42Å; V283-R287 PolarHBondContact O-N 3.15Å
284	I	98.8	Very high	97.9	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-62.1	-43.5	177	-64.5	166.2	0	0	0	110.6	I239 L242 A262 I265 V275 C280 L281 E282 R287 T288 L295	I239-I284 HydrophobicContact CG2-CD1 4.05Å; L242-I284 HydrophobicContact CD1-CD1 4.08Å; A262-I284 HydrophobicContact CB-CG1 4.31Å; I265-I284 HydrophobicContact CD1-CG2 4.42Å; V275-I284 HydrophobicContact CB-CD1 4.26Å; V275-I284 HydrophobicContact CG1-CD1 4.29Å; V275-I284 HydrophobicContact CG2-CD1 4.19Å; C280-I284 WeakPolarHBondContact O-CG1 3.47Å; C280-I284 PolarHBondContact O-N 3.48Å; L281-I284 PolarHBondContact O-N 3.42Å; E282-I284 PolarHBondContact O-N 3.2Å; I284-R287 PolarHBondContact O-N 3.26Å; I284-T288 VanDerWaalsContact O-CB 3.3Å; I284-T288 WeakPolarHBondContact O-CB 3.28Å; I284-T288 PolarHBondContact O-N 3.49Å; I284-T288 PolarHBondContact O-OG1 3.36Å; I284-L295 HydrophobicContact CG2-CD1 3.63Å; I284-L295 HydrophobicContact CG2-CD2 4.06Å; I284-L295 HydrophobicContact CG2-CG 4.49Å
285	R	98.7	Very high	98	Very high	86 Å²	86	56 Å²	56	33%	0.325	29%	0.292	S	S	.	.	H	α-helix	trans	-62.2	-43.5	176.5	-76.1	177.1	-168.5	135.2	2.8	111.7	L281 E282 V283 T288 K289 L295 E297	L281-R285 WeakPolarHBondContact O-CB 3.35Å; L281-R285 VanDerWaalsContact O-CG 3.31Å; L281-R285 WeakPolarHBondContact O-CG 3.32Å; L281-R285 PolarHBondContact O-N 3.34Å; E282-R285 PolarHBondContact O-N 2.85Å; E282-R285 IonicContact OE2-NH1 3.52Å; V283-R285 PolarHBondContact O-N 3.07Å; R285-T288 WeakPolarHBondContact O-CB 3.19Å; R285-T288 PolarHBondContact O-N 2.9Å; R285-K289 WeakPolarHBondContact O-CG 3.44Å; R285-K289 PolarHBondContact O-N 3.09Å; R285-L295 HydrophobicContact CB-CD2 4.46Å; R285-L295 HydrophobicContact CG-CD2 3.45Å; R285-L295 VanDerWaalsContact CG-CD2 3.45Å; R285-E297 IonicContact CZ-OE1 3.6Å; R285-E297 IonicContact NE-OE1 3.8Å; R285-E297 IonicContact NH2-OE1 3.65Å; R285-E297 PolarHBondContact NH2-OE1 2.79Å; R285-E297 IonicContact NH2-OE2 3.77Å
286	Q	98.6	Very high	98.1	Very high	86 Å²	86	58.1 Å²	58.1	40%	0.402	30%	0.3	S	S	.	.	H	α-helix	trans	-61.6	-48.6	177.9	179.1	54.4	31.3	0	0	111.2	E282 V283 T288 K289 E290	E282-Q286 WeakPolarHBondContact O-CB 3.41Å; E282-Q286 PolarHBondContact O-N 3.01Å; V283-Q286 PolarHBondContact O-N 3.08Å; Q286-T288 VanDerWaalsContact C-N 3.34Å; Q286-T288 PolarHBondContact O-N 2.97Å; Q286-K289 WeakPolarHBondContact O-CB 3.48Å; Q286-K289 PolarHBondContact O-N 2.92Å; Q286-E290 WeakPolarHBondContact CG-OE1 3.46Å; Q286-E290 PolarHBondContact NE2-OE1 3.08Å; Q286-E290 WeakPolarHBondContact O-CG 3.3Å; Q286-E290 PolarHBondContact O-N 2.82Å
287	R	98.3	Very high	98.3	Very high	19 Å²	19	57 Å²	57	7%	0.072	29%	0.287	C	S	.	.	H	α-helix	trans	-61.4	-40.6	175.4	-69.5	-76.4	-62.8	165.6	-4.9	112.5	E224 A262 I265 V283 I284 K289 E290 H291	E224-R287 IonicContact OE2-CZ 3.46Å; E224-R287 IonicContact OE2-NH1 3.32Å; E224-R287 IonicContact OE2-NH2 3.47Å; E224-R287 PolarHBondContact OE2-NH2 3.17Å; A262-R287 HydrophobicContact CB-CB 3.96Å; A262-R287 HydrophobicContact CB-CG 3.86Å; A262-R287 PolarHBondContact O-NE 2.92Å; A262-R287 PolarHBondContact O-NH2 3.44Å; I265-R287 HydrophobicContact CD1-CB 4Å; V283-R287 HydrophobicContact CG1-CG 4.39Å; V283-R287 WeakPolarHBondContact O-CB 3.48Å; V283-R287 VanDerWaalsContact O-CG 3.25Å; V283-R287 WeakPolarHBondContact O-CG 3.42Å; V283-R287 PolarHBondContact O-N 3.15Å; I284-R287 PolarHBondContact O-N 3.26Å; R287-K289 VanDerWaalsContact C-N 3.33Å; R287-K289 PolarHBondContact O-N 3.22Å; R287-E290 WeakPolarHBondContact CD-OE2 3.48Å; R287-E290 IonicContact NH1-OE2 3.79Å; R287-E290 PolarHBondContact O-N 3.16Å; R287-H291 PolarHBondContact O-CD2 3.43Å; R287-H291 VanDerWaalsContact O-CD2 3.27Å; R287-H291 PolarHBondContact O-N 3.18Å; R287-H291 VanDerWaalsContact O-N 3.16Å
288	T	98.6	Very high	98.4	Very high	7 Å²	7	55.7 Å²	55.7	4%	0.043	28%	0.282	C	S	.	.	H	α-helix	trans	-58.5	-46.1	174.9	-60.6	0	0	0	0	110.8	I284 R285 Q286 H291 S292 A293 L295	I284-T288 VanDerWaalsContact O-CB 3.3Å; I284-T288 WeakPolarHBondContact O-CB 3.28Å; I284-T288 PolarHBondContact O-N 3.49Å; I284-T288 PolarHBondContact O-OG1 3.36Å; R285-T288 WeakPolarHBondContact O-CB 3.19Å; R285-T288 PolarHBondContact O-N 2.9Å; Q286-T288 VanDerWaalsContact C-N 3.34Å; Q286-T288 PolarHBondContact O-N 2.97Å; T288-H291 CarbonylContact O-C 3.46Å; T288-H291 PolarHBondContact O-N 2.72Å; T288-S292 PolarHBondContact O-N 3.46Å; T288-S292 VanDerWaalsContact O-N 3.15Å; T288-A293 HydrophobicContact CG2-CB 3.78Å; T288-A293 WeakPolarHBondContact CG2-O 3.18Å; T288-A293 PolarHBondContact O-N 2.94Å; T288-L295 HydrophobicContact CG2-CB 3.9Å
289	K	98.4	Very high	98.3	Very high	141 Å²	141	52.3 Å²	52.3	61%	0.613	26%	0.26	S	S	*	.	H	α-helix	trans	-63	-44.5	176.7	-70.8	170.6	-176.8	172.2	0	112.3	R285 Q286 R287 H291 S292	R285-K289 WeakPolarHBondContact O-CG 3.44Å; R285-K289 PolarHBondContact O-N 3.09Å; Q286-K289 WeakPolarHBondContact O-CB 3.48Å; Q286-K289 PolarHBondContact O-N 2.92Å; R287-K289 VanDerWaalsContact C-N 3.33Å; R287-K289 PolarHBondContact O-N 3.22Å; K289-H291 PolarHBondContact O-N 3.07Å; K289-S292 PolarHBondContact O-N 2.98Å
290	E	98.3	Very high	98.2	Very high	102 Å²	102	52 Å²	52	48%	0.477	27%	0.266	S	S	.	.	H	α-helix	trans	-55.3	-34.9	177.3	-73.8	165.9	-166.6	0	0	112.4	Q286 R287	Q286-E290 WeakPolarHBondContact CG-OE1 3.46Å; Q286-E290 PolarHBondContact NE2-OE1 3.08Å; Q286-E290 WeakPolarHBondContact O-CG 3.3Å; Q286-E290 PolarHBondContact O-N 2.82Å; R287-E290 WeakPolarHBondContact CD-OE2 3.48Å; R287-E290 IonicContact NH1-OE2 3.79Å; R287-E290 PolarHBondContact O-N 3.16Å
291	H	98.1	Very high	98.1	Very high	47 Å²	47	52.6 Å²	52.6	22%	0.218	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	8.7	179	-71	-72.4	0	0	0	113.8	I265 T267 G268 R287 T288 K289 A293	I265-H291 HydrophobicContact CG2-CB 3.87Å; T267-H291 CarbonylContact C-O 2.9Å; T267-H291 WeakPolarHBondContact CA-O 3.45Å; G268-H291 PolarHBondContact N-O 3.35Å; R287-H291 PolarHBondContact O-CD2 3.43Å; R287-H291 VanDerWaalsContact O-CD2 3.27Å; R287-H291 PolarHBondContact O-N 3.18Å; R287-H291 VanDerWaalsContact O-N 3.16Å; T288-H291 CarbonylContact O-C 3.46Å; T288-H291 PolarHBondContact O-N 2.72Å; K289-H291 PolarHBondContact O-N 3.07Å; H291-A293 HydrophobicContact CB-CB 4.38Å; H291-A293 PolarHBondContact O-N 3.25Å
292	S	98.3	Very high	97.9	Very high	95 Å²	95	56.1 Å²	56.1	66%	0.664	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	33.2	-174.9	-53.7	0	0	0	0	112.7	G268 T288 K289	G268-S292 WeakPolarHBondContact CA-O 3.49Å; T288-S292 PolarHBondContact O-N 3.46Å; T288-S292 VanDerWaalsContact O-N 3.15Å; K289-S292 PolarHBondContact O-N 2.98Å
293	A	98.4	Very high	97.8	Very high	14 Å²	14	53.1 Å²	53.1	12%	0.116	27%	0.273	C	S	.	.			trans	-88.7	173.4	178.8	0	0	0	0	0	109.9	I265 S269 V271 T288 H291	I265-A293 HydrophobicContact CG2-CB 3.72Å; S269-A293 CarbonylContact O-C 3.56Å; S269-A293 VanDerWaalsContact O-CA 3.3Å; S269-A293 WeakPolarHBondContact O-CA 3.27Å; S269-A293 WeakPolarHBondContact O-CB 3.13Å; V271-A293 HydrophobicContact CG2-CB 4.15Å; T288-A293 HydrophobicContact CG2-CB 3.78Å; T288-A293 WeakPolarHBondContact CG2-O 3.18Å; T288-A293 PolarHBondContact O-N 2.94Å; H291-A293 HydrophobicContact CB-CB 4.38Å; H291-A293 PolarHBondContact O-N 3.25Å
294	T	98.6	Very high	97.5	Very high	62 Å²	62	52.1 Å²	52.1	38%	0.38	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	126.3	175.8	-52.6	0	0	0	0	110.2	S269 V271 Y296	S269-T294 PolarHBondContact O-N 2.77Å; V271-T294 PolarHBondContact N-O 2.81Å; T294-Y296 HydrophobicContact CG2-CE1 3.97Å; T294-Y296 HydrophobicContact CG2-CE2 3.72Å; T294-Y296 VanDerWaalsContact CG2-CZ 3.42Å; T294-Y296 WeakPolarHBondContact CG2-OH 3.43Å
295	L	98.7	Very high	97.3	Very high	36 Å²	36	52.2 Å²	52.2	19%	0.188	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	132.8	179.4	-179.2	66	0	0	0	111	V271 T273 I284 R285 T288	V271-L295 HydrophobicContact CB-CD1 4.01Å; V271-L295 HydrophobicContact CG1-CD1 3.78Å; V271-L295 CarbonylContact O-C 3.57Å; V271-L295 WeakPolarHBondContact O-CA 3.42Å; T273-L295 HydrophobicContact CG2-CD1 3.79Å; I284-L295 HydrophobicContact CG2-CD1 3.63Å; I284-L295 HydrophobicContact CG2-CD2 4.06Å; I284-L295 HydrophobicContact CG2-CG 4.49Å; R285-L295 HydrophobicContact CB-CD2 4.46Å; R285-L295 HydrophobicContact CG-CD2 3.45Å; R285-L295 VanDerWaalsContact CG-CD2 3.45Å; T288-L295 HydrophobicContact CG2-CB 3.9Å
296	Y	98.6	Very high	96.8	Very high	49 Å²	49	55.5 Å²	55.5	19%	0.192	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	113.4	173.6	-57.5	-76.5	0	0	0	109.7	H270 V271 F272 T273 T294 V298 P346	H270-Y296 HydrophobicContact CB-CD2 4.33Å; H270-Y296 HydrophobicContact CB-CE2 3.91Å; H270-Y296 AromaticContact CG-CE2 3.84Å; V271-Y296 PolarHBondContact O-N 3.03Å; F272-Y296 WeakPolarHBondContact CA-O 3.45Å; F272-Y296 HydrophobicContact CD1-CD2 4.16Å; F272-Y296 HydrophobicContact CD1-CG 4.17Å; F272-Y296 AromaticContact CE1-CD2 3.67Å; F272-Y296 HydrophobicContact CE1-CD2 3.67Å; F272-Y296 AromaticContact CE1-CG 3.79Å; F272-Y296 HydrophobicContact CE1-CG 3.79Å; F272-Y296 HydrophobicContact CE2-CD2 4.18Å; F272-Y296 AromaticContact CZ-CD2 3.68Å; F272-Y296 HydrophobicContact CZ-CD2 3.68Å; F272-Y296 HydrophobicContact CZ-CE2 4.19Å; F272-Y296 HydrophobicContact CZ-CG 4.26Å; T273-Y296 PolarHBondContact N-O 3.38Å; T294-Y296 HydrophobicContact CG2-CE1 3.97Å; T294-Y296 HydrophobicContact CG2-CE2 3.72Å; T294-Y296 VanDerWaalsContact CG2-CZ 3.42Å; T294-Y296 WeakPolarHBondContact CG2-OH 3.43Å; Y296-V298 PolarHBondContact O-N 2.76Å; Y296-P346 HydrophobicContact CD1-CB 3.51Å; Y296-P346 HydrophobicContact CD1-CG 4.39Å; Y296-P346 HydrophobicContact CD2-CB 4.32Å; Y296-P346 HydrophobicContact CE1-CB 3.33Å; Y296-P346 HydrophobicContact CE1-CG 3.76Å; Y296-P346 HydrophobicContact CE2-CB 4.17Å; Y296-P346 HydrophobicContact CE2-CG 4.2Å; Y296-P346 HydrophobicContact CG-CB 4.01Å
297	E	98.2	Very high	96.1	Very high	90 Å²	90	54 Å²	54	42%	0.421	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	116.1	167.7	-66.5	174.5	-124.6	0	0	107.6	T273 L281 R285 N347	T273-E297 HydrophobicContact CG2-CG 4.22Å; T273-E297 WeakPolarHBondContact O-CA 3.42Å; L281-E297 HydrophobicContact CD2-CG 4.24Å; R285-E297 IonicContact CZ-OE1 3.6Å; R285-E297 IonicContact NE-OE1 3.8Å; R285-E297 IonicContact NH2-OE1 3.65Å; R285-E297 PolarHBondContact NH2-OE1 2.79Å; R285-E297 IonicContact NH2-OE2 3.77Å; E297-N347 PolarHBondContact O-ND2 2.84Å
298	V	97.9	Very high	95.3	Very high	19 Å²	19	63 Å²	63	12%	0.115	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-77	147.1	-170.7	-55	0	0	0	0	111.5	F272 T273 H274 Y296 L327 Q330	F272-V298 HydrophobicContact CB-CG1 3.93Å; F272-V298 HydrophobicContact CD1-CG1 3.95Å; F272-V298 HydrophobicContact CG-CG1 4.44Å; T273-V298 PolarHBondContact O-N 2.87Å; H274-V298 HydrophobicContact CB-CG2 3.71Å; Y296-V298 PolarHBondContact O-N 2.76Å; V298-L327 HydrophobicContact CG1-CD1 4.21Å; V298-L327 HydrophobicContact CG2-CB 4.41Å; V298-Q330 HydrophobicContact CB-CG 4.33Å; V298-Q330 HydrophobicContact CG1-CB 4.1Å; V298-Q330 HydrophobicContact CG1-CG 3.91Å
299	P	96.6	Very high	94.6	Very high	24 Å²	24	65.1 Å²	65.1	16%	0.156	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-67.1	164	176.7	27.8	-34.1	0	0	0	111.4	Y304 S326 V349	P299-Y304 HydrophobicContact CG-CE2 3.99Å; P299-S326 WeakPolarHBondContact O-CB 3.4Å; P299-S326 PolarHBondContact O-OG 3.37Å; P299-V349 HydrophobicContact CB-CG2 3.93Å; P299-V349 HydrophobicContact CG-CG2 3.63Å
300	P	95.9	Very high	94	Very high	80 Å²	80	60 Å²	60	52%	0.519	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-57	141.9	171.5	-22.3	32.7	0	0	0	111.9	E302 D303	P300-E302 PolarHBondContact O-N 3.49Å; P300-D303 WeakPolarHBondContact O-CB 3.46Å; P300-D303 PolarHBondContact O-N 3.37Å
301	T	95.9	Very high	93.4	Very high	11 Å²	11	57.5 Å²	57.5	7%	0.067	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-58.2	-33.1	178.9	-52.2	0	0	0	0	112.5	D303 Y304 F305 W314 I321 R322 S326	T301-D303 PolarHBondContact O-N 3.42Å; T301-Y304 WeakPolarHBondContact O-CD2 3.25Å; T301-Y304 PolarHBondContact O-N 3.05Å; T301-F305 HydrophobicContact CG2-CE2 3.96Å; T301-F305 WeakPolarHBondContact O-CD2 3.45Å; T301-F305 WeakPolarHBondContact O-CE2 3.46Å; T301-W314 HydrophobicContact CG2-CH2 4.18Å; T301-W314 HydrophobicContact CG2-CZ3 3.96Å; T301-I321 WeakPolarHBondContact CG2-O 3.44Å; T301-R322 VanDerWaalsContact CB-O 3.24Å; T301-R322 WeakPolarHBondContact CB-O 3.39Å; T301-R322 PolarHBondContact OG1-O 2.83Å; T301-S326 PolarHBondContact OG1-N 3.38Å; T301-S326 VanDerWaalsContact OG1-N 3.08Å
302	E	95.1	Very high	92.9	Very high	84 Å²	84	59.7 Å²	59.7	39%	0.393	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-59	-30.1	178.5	-174.1	167.9	-145.8	0	0	112.8	P300 Y304 F305 R306 W314	P300-E302 PolarHBondContact O-N 3.49Å; E302-Y304 PolarHBondContact O-N 3.43Å; E302-F305 PolarHBondContact O-N 2.82Å; E302-R306 PolarHBondContact O-N 3.33Å; E302-W314 HydrophobicContact CB-CD2 4.44Å; E302-W314 HydrophobicContact CB-CH2 3.82Å; E302-W314 HydrophobicContact CB-CZ2 3.47Å; E302-W314 VanDerWaalsContact CB-CZ2 3.47Å; E302-W314 HydrophobicContact CB-CZ3 4.41Å; E302-W314 HydrophobicContact CG-CD2 4.15Å; E302-W314 HydrophobicContact CG-CZ2 3.86Å; E302-W314 PolarHBondContact OE1-NE1 3.24Å
303	D	95	Very high	92.3	Very high	35 Å²	35	55.7 Å²	55.7	19%	0.187	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-61.6	-32.8	-174.5	-69.7	26.3	0	0	0	111.2	P300 T301 F305 R306 V349	P300-D303 WeakPolarHBondContact O-CB 3.46Å; P300-D303 PolarHBondContact O-N 3.37Å; T301-D303 PolarHBondContact O-N 3.42Å; D303-F305 PolarHBondContact O-N 3.14Å; D303-R306 VanDerWaalsContact CG-CZ 3.44Å; D303-R306 PolarHBondContact O-N 2.7Å; D303-R306 IonicContact OD1-CZ 3.12Å; D303-R306 IonicContact OD1-NE 3.16Å; D303-R306 IonicContact OD1-NH1 2.71Å; D303-R306 PolarHBondContact OD1-NH1 2.84Å; D303-R306 VanDerWaalsContact OD1-NH1 3.12Å; D303-R306 IonicContact OD1-NH2 3.66Å; D303-R306 PolarHBondContact OD1-NH2 3.43Å; D303-R306 IonicContact OD2-CZ 2.97Å; D303-R306 IonicContact OD2-NH1 2.7Å; D303-R306 PolarHBondContact OD2-NH1 3.34Å; D303-R306 IonicContact OD2-NH2 2.93Å; D303-V349 HydrophobicContact CB-CG1 3.77Å; D303-V349 HydrophobicContact CB-CG2 4.21Å; D303-V349 WeakPolarHBondContact O-CG1 3.46Å
304	Y	93.5	Very high	91.8	Very high	7 Å²	7	56.4 Å²	56.4	3%	0.027	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-65.9	-18.4	176.7	-63.9	-97.7	0	0	0	113.1	P299 T301 E302 S326 I329 Q330 V349 M351	P299-Y304 HydrophobicContact CG-CE2 3.99Å; T301-Y304 WeakPolarHBondContact O-CD2 3.25Å; T301-Y304 PolarHBondContact O-N 3.05Å; E302-Y304 PolarHBondContact O-N 3.43Å; Y304-S326 WeakPolarHBondContact CE2-OG 3.26Å; Y304-S326 PolarHBondContact OH-OG 3.11Å; Y304-I329 HydrophobicContact CD1-CD1 4.16Å; Y304-I329 HydrophobicContact CD1-CG2 4.31Å; Y304-I329 HydrophobicContact CD2-CD1 4.37Å; Y304-I329 HydrophobicContact CE1-CB 4.42Å; Y304-I329 HydrophobicContact CE1-CD1 4.27Å; Y304-I329 HydrophobicContact CE1-CG2 3.67Å; Y304-I329 HydrophobicContact CE2-CD1 4.47Å; Y304-I329 HydrophobicContact CG-CD1 4.21Å; Y304-Q330 WeakPolarHBondContact OH-CG 3.02Å; Y304-Q330 PolarHBondContact OH-NE2 3.06Å; Y304-V349 VanDerWaalsContact CA-CG1 3.49Å; Y304-V349 HydrophobicContact CD1-CG1 4.13Å; Y304-V349 HydrophobicContact CD2-CG1 4.26Å; Y304-V349 HydrophobicContact CG-CG1 3.98Å; Y304-V349 VanDerWaalsContact N-CG1 3.33Å; Y304-M351 HydrophobicContact CD1-CE 4.09Å; Y304-M351 HydrophobicContact CG-CE 4.25Å
305	F	92.9	Very high	91.2	Very high	2 Å²	2	59.7 Å²	59.7	1%	0.009	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-117.5	9.1	-172	-52.3	-72.2	0	0	0	113.2	T301 E302 D303 S307 Y310 A311 W314 F317 M351 L356 L359	T301-F305 HydrophobicContact CG2-CE2 3.96Å; T301-F305 WeakPolarHBondContact O-CD2 3.45Å; T301-F305 WeakPolarHBondContact O-CE2 3.46Å; E302-F305 PolarHBondContact O-N 2.82Å; D303-F305 PolarHBondContact O-N 3.14Å; F305-S307 VanDerWaalsContact C-N 3.28Å; F305-S307 PolarHBondContact O-N 2.87Å; F305-Y310 HydrophobicContact CD1-CG 4.42Å; F305-Y310 CarbonylContact O-C 3.59Å; F305-A311 WeakPolarHBondContact O-CA 3.36Å; F305-A311 PolarHBondContact O-N 3.33Å; F305-W314 HydrophobicContact CB-CB 4.32Å; F305-W314 HydrophobicContact CB-CE3 4.13Å; F305-W314 AromaticContact CD2-CE3 3.48Å; F305-W314 HydrophobicContact CD2-CE3 3.48Å; F305-W314 VanDerWaalsContact CD2-CE3 3.48Å; F305-W314 AromaticContact CD2-CZ3 3.61Å; F305-W314 HydrophobicContact CD2-CZ3 3.61Å; F305-W314 HydrophobicContact CE2-CE3 4.23Å; F305-W314 HydrophobicContact CE2-CZ3 4.03Å; F305-W314 HydrophobicContact CG-CE3 4.05Å; F305-F317 AromaticContact CD1-CE2 3.59Å; F305-F317 HydrophobicContact CD1-CE2 3.59Å; F305-F317 HydrophobicContact CD1-CZ 4.01Å; F305-F317 HydrophobicContact CD2-CD2 4.39Å; F305-F317 AromaticContact CD2-CE2 3.82Å; F305-F317 HydrophobicContact CD2-CE2 3.82Å; F305-F317 AromaticContact CE1-CE2 3.46Å; F305-F317 HydrophobicContact CE1-CE2 3.46Å; F305-F317 VanDerWaalsContact CE1-CE2 3.46Å; F305-F317 AromaticContact CE1-CZ 3.71Å; F305-F317 HydrophobicContact CE1-CZ 3.71Å; F305-F317 HydrophobicContact CE2-CD2 4.25Å; F305-F317 AromaticContact CE2-CE2 3.69Å; F305-F317 HydrophobicContact CE2-CE2 3.69Å; F305-F317 AromaticContact CG-CE2 3.76Å; F305-F317 HydrophobicContact CG-CE2 3.76Å; F305-F317 HydrophobicContact CZ-CD2 4.38Å; F305-F317 AromaticContact CZ-CE2 3.5Å; F305-F317 HydrophobicContact CZ-CE2 3.5Å; F305-F317 HydrophobicContact CZ-CZ 4.06Å; F305-M351 HydrophobicContact CE1-CE 3.86Å; F305-M351 HydrophobicContact CE1-CG 4.04Å; F305-M351 HydrophobicContact CE1-SD 4.47Å; F305-M351 HydrophobicContact CE2-CE 4.49Å; F305-M351 HydrophobicContact CZ-CE 3.6Å; F305-L356 HydrophobicContact CE1-CD1 3.98Å; F305-L359 HydrophobicContact CE1-CD2 4.49Å; F305-L359 HydrophobicContact CE2-CD2 4.43Å; F305-L359 HydrophobicContact CZ-CD2 3.61Å
306	R	88.3	Confident	90.6	Very high	156 Å²	156	60.9 Å²	60.9	59%	0.589	32%	0.318	S	S	*	.			trans	-70.1	-20.6	177.5	-74.4	-176.5	175.7	145	9.7	114.4	E302 D303	E302-R306 PolarHBondContact O-N 3.33Å; D303-R306 VanDerWaalsContact CG-CZ 3.44Å; D303-R306 PolarHBondContact O-N 2.7Å; D303-R306 IonicContact OD1-CZ 3.12Å; D303-R306 IonicContact OD1-NE 3.16Å; D303-R306 IonicContact OD1-NH1 2.71Å; D303-R306 PolarHBondContact OD1-NH1 2.84Å; D303-R306 VanDerWaalsContact OD1-NH1 3.12Å; D303-R306 IonicContact OD1-NH2 3.66Å; D303-R306 PolarHBondContact OD1-NH2 3.43Å; D303-R306 IonicContact OD2-CZ 2.97Å; D303-R306 IonicContact OD2-NH1 2.7Å; D303-R306 PolarHBondContact OD2-NH1 3.34Å; D303-R306 IonicContact OD2-NH2 2.93Å
307	S	85.7	Confident	90.1	Very high	55 Å²	55	59.2 Å²	59.2	39%	0.385	31%	0.312	S	S	.	.	S	Bend	trans	-62.6	148.2	179.2	81.4	0	0	0	0	110.7	F305 A309 Y310 A311	F305-S307 VanDerWaalsContact C-N 3.28Å; F305-S307 PolarHBondContact O-N 2.87Å; S307-A309 PolarHBondContact O-N 3.02Å; S307-Y310 PolarHBondContact O-N 3.28Å; S307-Y310 WeakPolarHBondContact OG-CD2 3.39Å; S307-A311 WeakPolarHBondContact O-CB 3.47Å; S307-A311 PolarHBondContact O-N 3.18Å
308	K	81.2	Confident	89.6	Confident	206 Å²	206	56.8 Å²	56.8	90%	0.896	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-25.9	177.3	-71.7	-174.5	177.5	-178.8	0	113.2
309	A	83.6	Confident	89.1	Confident	53 Å²	53	57.4 Å²	57.4	44%	0.438	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-32.2	178.6	0	0	0	0	0	113	S307	S307-A309 PolarHBondContact O-N 3.02Å
310	Y	85.4	Confident	88.8	Confident	33 Å²	33	57 Å²	57	13%	0.129	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.5	-13.2	-173.8	-55.1	-52.8	0	0	0	114.6	F305 S307 P312 I313 W314 M351 L356	F305-Y310 HydrophobicContact CD1-CG 4.42Å; F305-Y310 CarbonylContact O-C 3.59Å; S307-Y310 PolarHBondContact O-N 3.28Å; S307-Y310 WeakPolarHBondContact OG-CD2 3.39Å; Y310-P312 VanDerWaalsContact O-N 3.14Å; Y310-I313 HydrophobicContact CD1-CD1 4.04Å; Y310-I313 WeakPolarHBondContact O-CG1 2.91Å; Y310-I313 PolarHBondContact O-N 2.97Å; Y310-W314 PolarHBondContact O-N 2.89Å; Y310-M351 HydrophobicContact CD2-CB 4.29Å; Y310-M351 HydrophobicContact CE2-CB 3.86Å; Y310-M351 HydrophobicContact CE2-CG 4.14Å; Y310-M351 WeakPolarHBondContact CE2-O 3.41Å; Y310-M351 PolarHBondContact OH-O 2.96Å; Y310-M351 VanDerWaalsContact OH-O 3.11Å; Y310-L356 HydrophobicContact CD1-CD2 3.88Å; Y310-L356 HydrophobicContact CE1-CD2 3.53Å
311	A	85.8	Confident	88.8	Confident	49 Å²	49	53.6 Å²	53.6	41%	0.405	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-51.7	-37.2	177.3	0	0	0	0	0	113.7	F305 S307 I313 W314	F305-A311 WeakPolarHBondContact O-CA 3.36Å; F305-A311 PolarHBondContact O-N 3.33Å; S307-A311 WeakPolarHBondContact O-CB 3.47Å; S307-A311 PolarHBondContact O-N 3.18Å; A311-I313 VanDerWaalsContact C-N 3.28Å; A311-I313 PolarHBondContact O-N 2.9Å; A311-W314 PolarHBondContact O-N 3.2Å
312	P	88.3	Confident	88.6	Confident	93 Å²	93	56.1 Å²	56.1	60%	0.604	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-64.2	-25.5	177.2	-24	35.8	0	0	0	115.1	Y310	Y310-P312 VanDerWaalsContact O-N 3.14Å
313	I	84.8	Confident	88.6	Confident	12 Å²	12	56.4 Å²	56.4	6%	0.062	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-92.1	-15.5	-178	54.1	174.3	0	0	0	114.4	M15 Y310 A311 Q315 T316 F317 L356	M15-I313 HydrophobicContact CE-CB 4.49Å; M15-I313 HydrophobicContact CE-CG2 3Å; M15-I313 HydrophobicContact CG-CG2 4.23Å; M15-I313 HydrophobicContact SD-CG2 3.19Å; M15-I313 WeakPolarHBondContact SD-CG2 3.19Å; Y310-I313 HydrophobicContact CD1-CD1 4.04Å; Y310-I313 WeakPolarHBondContact O-CG1 2.91Å; Y310-I313 PolarHBondContact O-N 2.97Å; A311-I313 VanDerWaalsContact C-N 3.28Å; A311-I313 PolarHBondContact O-N 2.9Å; I313-Q315 PolarHBondContact O-N 3.39Å; I313-Q315 VanDerWaalsContact O-N 3.1Å; I313-T316 PolarHBondContact O-N 3.36Å; I313-T316 PolarHBondContact O-OG1 3.47Å; I313-F317 HydrophobicContact CB-CE1 4.29Å; I313-F317 HydrophobicContact CB-CZ 4.25Å; I313-F317 HydrophobicContact CD1-CE1 4.05Å; I313-F317 HydrophobicContact CD1-CZ 3.55Å; I313-F317 HydrophobicContact CG1-CE1 4.31Å; I313-F317 HydrophobicContact CG1-CE2 4.43Å; I313-F317 HydrophobicContact CG1-CZ 3.81Å; I313-L356 HydrophobicContact CD1-CD1 3.94Å; I313-L356 HydrophobicContact CD1-CD2 3.96Å
314	W	88.8	Confident	88.6	Confident	29 Å²	29	55.2 Å²	55.2	11%	0.11	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-52.8	-40.2	-177.8	173.8	-122.5	0	0	0	112.5	T301 E302 F305 Y310 A311 T316 F317 R322	T301-W314 HydrophobicContact CG2-CH2 4.18Å; T301-W314 HydrophobicContact CG2-CZ3 3.96Å; E302-W314 HydrophobicContact CB-CD2 4.44Å; E302-W314 HydrophobicContact CB-CH2 3.82Å; E302-W314 HydrophobicContact CB-CZ2 3.47Å; E302-W314 VanDerWaalsContact CB-CZ2 3.47Å; E302-W314 HydrophobicContact CB-CZ3 4.41Å; E302-W314 HydrophobicContact CG-CD2 4.15Å; E302-W314 HydrophobicContact CG-CZ2 3.86Å; E302-W314 PolarHBondContact OE1-NE1 3.24Å; F305-W314 HydrophobicContact CB-CB 4.32Å; F305-W314 HydrophobicContact CB-CE3 4.13Å; F305-W314 AromaticContact CD2-CE3 3.48Å; F305-W314 HydrophobicContact CD2-CE3 3.48Å; F305-W314 VanDerWaalsContact CD2-CE3 3.48Å; F305-W314 AromaticContact CD2-CZ3 3.61Å; F305-W314 HydrophobicContact CD2-CZ3 3.61Å; F305-W314 HydrophobicContact CE2-CE3 4.23Å; F305-W314 HydrophobicContact CE2-CZ3 4.03Å; F305-W314 HydrophobicContact CG-CE3 4.05Å; Y310-W314 PolarHBondContact O-N 2.89Å; A311-W314 PolarHBondContact O-N 3.2Å; W314-T316 VanDerWaalsContact C-N 3.26Å; W314-T316 PolarHBondContact O-N 3.46Å; W314-F317 AromaticContact CE3-CD2 3.66Å; W314-F317 HydrophobicContact CE3-CD2 3.66Å; W314-F317 HydrophobicContact CE3-CE2 4.13Å; W314-F317 HydrophobicContact CZ3-CD2 4.06Å; W314-F317 PolarHBondContact O-N 3.43Å; W314-R322 HydrophobicContact CH2-CB 4.05Å; W314-R322 HydrophobicContact CH2-CG 3.8Å; W314-R322 HydrophobicContact CZ2-CG 4.15Å; W314-R322 HydrophobicContact CZ3-CG 4.16Å; W314-R322 PolarHBondContact O-NH2 2.64Å
315	Q	85.9	Confident	88.8	Confident	130 Å²	130	54.9 Å²	54.9	61%	0.607	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-72.9	-16.1	-178.8	-63.3	-58.5	-13.4	0	0	114.3	I313 R322	I313-Q315 PolarHBondContact O-N 3.39Å; I313-Q315 VanDerWaalsContact O-N 3.1Å; Q315-R322 PolarHBondContact O-NH2 2.76Å; Q315-R322 VanDerWaalsContact OE1-NH1 3.1Å
316	T	84.9	Confident	89	Confident	61 Å²	61	55 Å²	55	37%	0.374	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-88.2	-12.4	178.6	71.8	0	0	0	0	112.8	I313 W314	I313-T316 PolarHBondContact O-N 3.36Å; I313-T316 PolarHBondContact O-OG1 3.47Å; W314-T316 VanDerWaalsContact C-N 3.26Å; W314-T316 PolarHBondContact O-N 3.46Å
317	F	88.3	Confident	89.5	Confident	15 Å²	15	47.5 Å²	47.5	7%	0.066	26%	0.259	C	S	.	.	S	Bend	trans	-71.3	141.6	-178.6	-65.9	-26.4	0	0	0	113.1	F305 I313 W314 I321 R322 L356 I360	F305-F317 AromaticContact CD1-CE2 3.59Å; F305-F317 HydrophobicContact CD1-CE2 3.59Å; F305-F317 HydrophobicContact CD1-CZ 4.01Å; F305-F317 HydrophobicContact CD2-CD2 4.39Å; F305-F317 AromaticContact CD2-CE2 3.82Å; F305-F317 HydrophobicContact CD2-CE2 3.82Å; F305-F317 AromaticContact CE1-CE2 3.46Å; F305-F317 HydrophobicContact CE1-CE2 3.46Å; F305-F317 VanDerWaalsContact CE1-CE2 3.46Å; F305-F317 AromaticContact CE1-CZ 3.71Å; F305-F317 HydrophobicContact CE1-CZ 3.71Å; F305-F317 HydrophobicContact CE2-CD2 4.25Å; F305-F317 AromaticContact CE2-CE2 3.69Å; F305-F317 HydrophobicContact CE2-CE2 3.69Å; F305-F317 AromaticContact CG-CE2 3.76Å; F305-F317 HydrophobicContact CG-CE2 3.76Å; F305-F317 HydrophobicContact CZ-CD2 4.38Å; F305-F317 AromaticContact CZ-CE2 3.5Å; F305-F317 HydrophobicContact CZ-CE2 3.5Å; F305-F317 HydrophobicContact CZ-CZ 4.06Å; I313-F317 HydrophobicContact CB-CE1 4.29Å; I313-F317 HydrophobicContact CB-CZ 4.25Å; I313-F317 HydrophobicContact CD1-CE1 4.05Å; I313-F317 HydrophobicContact CD1-CZ 3.55Å; I313-F317 HydrophobicContact CG1-CE1 4.31Å; I313-F317 HydrophobicContact CG1-CE2 4.43Å; I313-F317 HydrophobicContact CG1-CZ 3.81Å; W314-F317 AromaticContact CE3-CD2 3.66Å; W314-F317 HydrophobicContact CE3-CD2 3.66Å; W314-F317 HydrophobicContact CE3-CE2 4.13Å; W314-F317 HydrophobicContact CZ3-CD2 4.06Å; W314-F317 PolarHBondContact O-N 3.43Å; F317-I321 HydrophobicContact CB-CB 4.2Å; F317-I321 HydrophobicContact CB-CD1 4.45Å; F317-I321 HydrophobicContact CB-CG2 4.12Å; F317-I321 HydrophobicContact CD1-CD1 4.26Å; F317-I321 HydrophobicContact CD2-CG2 4.03Å; F317-I321 HydrophobicContact CG-CD1 4.43Å; F317-I321 HydrophobicContact CG-CG2 4.09Å; F317-R322 HydrophobicContact CB-CG 4.23Å; F317-R322 PolarHBondContact O-NE 3.44Å; F317-L356 HydrophobicContact CE1-CD1 4.44Å; F317-L356 HydrophobicContact CZ-CD1 3.92Å; F317-I360 HydrophobicContact CD1-CG2 4.21Å; F317-I360 HydrophobicContact CE1-CG2 3.51Å; F317-I360 HydrophobicContact CZ-CG2 4.28Å
318	S	86.9	Confident	90.1	Very high	39 Å²	39	44.9 Å²	44.9	27%	0.273	24%	0.24	S	C	.	.			trans	-63.4	155	174.1	65.9	0	0	0	0	111.4	L320 I321 R322	S318-L320 PolarHBondContact O-N 3.36Å; S318-I321 PolarHBondContact O-N 3.01Å; S318-I321 PolarHBondContact OG-N 3.45Å; S318-R322 WeakPolarHBondContact O-CG 3.31Å; S318-R322 PolarHBondContact O-N 2.92Å
319	N	88.4	Confident	90.9	Very high	31 Å²	31	35.1 Å²	35.1	17%	0.166	20%	0.198	C	C	.	.	H	α-helix	trans	-58	-29.5	173.2	-77.1	-15.8	0	0	0	112.3	I321 R322 L323 V391	N319-I321 PolarHBondContact O-N 3.43Å; N319-R322 PolarHBondContact O-N 3.47Å; N319-L323 HydrophobicContact CB-CD1 4.42Å; N319-L323 VanDerWaalsContact O-CB 3.27Å; N319-L323 WeakPolarHBondContact O-CB 3.49Å; N319-L323 VanDerWaalsContact O-CG 3.25Å; N319-L323 WeakPolarHBondContact O-CG 3.13Å; N319-L323 PolarHBondContact O-N 3.49Å; N319-V391 HydrophobicContact CB-CG1 4.15Å
320	L	91	Very high	91.6	Very high	17 Å²	17	32.6 Å²	32.6	9%	0.089	18%	0.177	C	C	.	.	H	α-helix	trans	-55.5	-50.6	173.1	-179.3	146.9	0	0	0	111.5	L132 S318 N324 T362 W364 R367	L132-L320 HydrophobicContact CD1-CD2 3.68Å; L132-L320 HydrophobicContact CD2-CD2 3.52Å; L132-L320 HydrophobicContact CG-CD2 3.55Å; S318-L320 PolarHBondContact O-N 3.36Å; L320-N324 WeakPolarHBondContact O-CB 3.44Å; L320-N324 PolarHBondContact O-N 3.27Å; L320-N324 VanDerWaalsContact O-N 3.17Å; L320-N324 PolarHBondContact O-ND2 2.74Å; L320-T362 HydrophobicContact CD2-CG2 4.26Å; L320-W364 HydrophobicContact CD1-CB 3.51Å; L320-W364 HydrophobicContact CD1-CG 3.99Å; L320-R367 HydrophobicContact CD1-CB 4.24Å
321	I	94.4	Very high	92.2	Very high	8 Å²	8	31 Å²	31	4%	0.041	17%	0.171	C	C	.	.	H	α-helix	trans	-68.2	-49.9	177.5	-66.9	171.2	0	0	0	110	L132 T301 F317 S318 N319 L323 N324 G325 L359	L132-I321 HydrophobicContact CD2-CG1 3.91Å; T301-I321 WeakPolarHBondContact CG2-O 3.44Å; F317-I321 HydrophobicContact CB-CB 4.2Å; F317-I321 HydrophobicContact CB-CD1 4.45Å; F317-I321 HydrophobicContact CB-CG2 4.12Å; F317-I321 HydrophobicContact CD1-CD1 4.26Å; F317-I321 HydrophobicContact CD2-CG2 4.03Å; F317-I321 HydrophobicContact CG-CD1 4.43Å; F317-I321 HydrophobicContact CG-CG2 4.09Å; S318-I321 PolarHBondContact O-N 3.01Å; S318-I321 PolarHBondContact OG-N 3.45Å; N319-I321 PolarHBondContact O-N 3.43Å; I321-L323 VanDerWaalsContact C-N 3.28Å; I321-L323 PolarHBondContact O-N 2.99Å; I321-N324 PolarHBondContact O-N 3.3Å; I321-G325 WeakPolarHBondContact O-CA 3.5Å; I321-G325 PolarHBondContact O-N 3.38Å; I321-L359 HydrophobicContact CD1-CG 4.21Å; I321-L359 WeakPolarHBondContact CD1-O 3.42Å; I321-L359 HydrophobicContact CG1-CG 4.17Å; I321-L359 HydrophobicContact CG2-CD1 4.45Å; I321-L359 HydrophobicContact CG2-CD2 3.61Å; I321-L359 HydrophobicContact CG2-CG 3.93Å
322	R	93.5	Very high	92.8	Very high	63 Å²	63	28.7 Å²	28.7	24%	0.238	15%	0.151	C	C	.	.	H	α-helix	trans	-56.7	-42.4	-175.7	-65.9	177.3	-175.6	-130.7	17.5	112.4	T301 W314 Q315 F317 S318 N319	T301-R322 VanDerWaalsContact CB-O 3.24Å; T301-R322 WeakPolarHBondContact CB-O 3.39Å; T301-R322 PolarHBondContact OG1-O 2.83Å; W314-R322 HydrophobicContact CH2-CB 4.05Å; W314-R322 HydrophobicContact CH2-CG 3.8Å; W314-R322 HydrophobicContact CZ2-CG 4.15Å; W314-R322 HydrophobicContact CZ3-CG 4.16Å; W314-R322 PolarHBondContact O-NH2 2.64Å; Q315-R322 PolarHBondContact O-NH2 2.76Å; Q315-R322 VanDerWaalsContact OE1-NH1 3.1Å; F317-R322 HydrophobicContact CB-CG 4.23Å; F317-R322 PolarHBondContact O-NE 3.44Å; S318-R322 WeakPolarHBondContact O-CG 3.31Å; S318-R322 PolarHBondContact O-N 2.92Å; N319-R322 PolarHBondContact O-N 3.47Å
323	L	93.4	Very high	93.2	Very high	91 Å²	91	24.5 Å²	24.5	48%	0.476	12%	0.124	S	C	.	.	H	α-helix	trans	-81.6	-32.9	-176.4	-65.7	171.7	0	0	0	113.9	N319 I321 V391	N319-L323 HydrophobicContact CB-CD1 4.42Å; N319-L323 VanDerWaalsContact O-CB 3.27Å; N319-L323 WeakPolarHBondContact O-CB 3.49Å; N319-L323 VanDerWaalsContact O-CG 3.25Å; N319-L323 WeakPolarHBondContact O-CG 3.13Å; N319-L323 PolarHBondContact O-N 3.49Å; I321-L323 VanDerWaalsContact C-N 3.28Å; I321-L323 PolarHBondContact O-N 2.99Å; L323-V391 HydrophobicContact CD1-CG1 3.83Å; L323-V391 HydrophobicContact CD1-CG2 4.03Å
324	N	96.6	Very high	93.8	Very high	10 Å²	10	24 Å²	24	5%	0.053	12%	0.122	C	C	.	.	H	α-helix	trans	-120.9	-6	-168.9	-53.5	-78	0	0	0	113.9	G125 L132 L320 I321 L327 A328	G125-N324 VanDerWaalsContact CA-OD1 3.27Å; G125-N324 WeakPolarHBondContact CA-OD1 3.22Å; L132-N324 HydrophobicContact CD1-CB 3.76Å; L320-N324 WeakPolarHBondContact O-CB 3.44Å; L320-N324 PolarHBondContact O-N 3.27Å; L320-N324 VanDerWaalsContact O-N 3.17Å; L320-N324 PolarHBondContact O-ND2 2.74Å; I321-N324 PolarHBondContact O-N 3.3Å; N324-L327 PolarHBondContact O-N 2.97Å; N324-A328 WeakPolarHBondContact O-CB 3.49Å; N324-A328 PolarHBondContact O-N 3.17Å
325	G	97.1	Very high	94.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-61.2	-50.1	-172	0	0	0	0	0	112.8	I321 L327 A328 I329	I321-G325 WeakPolarHBondContact O-CA 3.5Å; I321-G325 PolarHBondContact O-N 3.38Å; G325-L327 PolarHBondContact O-N 3.1Å; G325-A328 PolarHBondContact O-N 3.02Å; G325-A328 VanDerWaalsContact O-N 3.17Å; G325-I329 WeakPolarHBondContact O-CB 3.48Å; G325-I329 VanDerWaalsContact O-CD1 3.25Å; G325-I329 WeakPolarHBondContact O-CD1 2.98Å; G325-I329 WeakPolarHBondContact O-CG1 3.35Å; G325-I329 PolarHBondContact O-N 2.92Å
326	S	97.7	Very high	94.7	Very high	3 Å²	3	17.5 Å²	17.5	2%	0.021	9%	0.092	C	C	.	.	H	α-helix	trans	-56.8	-49.2	179.8	-174.8	0	0	0	0	112.5	P299 T301 Y304 A328 I329 Q330	P299-S326 WeakPolarHBondContact O-CB 3.4Å; P299-S326 PolarHBondContact O-OG 3.37Å; T301-S326 PolarHBondContact OG1-N 3.38Å; T301-S326 VanDerWaalsContact OG1-N 3.08Å; Y304-S326 WeakPolarHBondContact CE2-OG 3.26Å; Y304-S326 PolarHBondContact OH-OG 3.11Å; S326-A328 VanDerWaalsContact C-N 3.33Å; S326-A328 PolarHBondContact O-N 3.32Å; S326-I329 PolarHBondContact O-N 2.88Å; S326-Q330 WeakPolarHBondContact O-CG 3.4Å; S326-Q330 PolarHBondContact O-N 2.96Å
327	L	98.6	Very high	95.1	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-60.4	-45.5	177.6	-179.1	58.1	0	0	0	110.8	T129 T240 F272 V298 N324 G325 I329 Q330 L331	T129-L327 HydrophobicContact CG2-CB 4.41Å; T129-L327 HydrophobicContact CG2-CD2 3.9Å; T129-L327 HydrophobicContact CG2-CG 3.84Å; T240-L327 HydrophobicContact CG2-CD2 3.79Å; F272-L327 HydrophobicContact CB-CD1 3.52Å; F272-L327 WeakPolarHBondContact O-CD1 3.36Å; V298-L327 HydrophobicContact CG1-CD1 4.21Å; V298-L327 HydrophobicContact CG2-CB 4.41Å; N324-L327 PolarHBondContact O-N 2.97Å; G325-L327 PolarHBondContact O-N 3.1Å; L327-I329 PolarHBondContact O-N 2.97Å; L327-Q330 PolarHBondContact O-N 3.27Å; L327-L331 HydrophobicContact CD1-CD1 4.23Å; L327-L331 HydrophobicContact CD1-CG 4.17Å; L327-L331 HydrophobicContact CG-CD1 4.07Å; L327-L331 HydrophobicContact CG-CG 4.44Å; L327-L331 WeakPolarHBondContact O-CG 3.15Å; L327-L331 PolarHBondContact O-N 3.44Å
328	A	98.4	Very high	95.4	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-63.6	-40.7	179.7	0	0	0	0	0	113.6	T129 L132 T133 L136 N324 G325 S326 L331 A332	T129-A328 HydrophobicContact CG2-CB 4.35Å; L132-A328 HydrophobicContact CB-CB 3.3Å; L132-A328 HydrophobicContact CD1-CB 4Å; L132-A328 HydrophobicContact CG-CB 4.29Å; T133-A328 VanDerWaalsContact OG1-CA 3.27Å; T133-A328 WeakPolarHBondContact OG1-CA 3.46Å; T133-A328 PolarHBondContact OG1-O 3.38Å; L136-A328 HydrophobicContact CD1-CB 4.34Å; N324-A328 WeakPolarHBondContact O-CB 3.49Å; N324-A328 PolarHBondContact O-N 3.17Å; G325-A328 PolarHBondContact O-N 3.02Å; G325-A328 VanDerWaalsContact O-N 3.17Å; S326-A328 VanDerWaalsContact C-N 3.33Å; S326-A328 PolarHBondContact O-N 3.32Å; A328-L331 PolarHBondContact O-N 3.13Å; A328-A332 WeakPolarHBondContact O-CB 3.38Å; A328-A332 PolarHBondContact O-N 3Å
329	I	97.6	Very high	95.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-61.1	-49.7	175.9	-68.2	155.7	0	0	0	110	L136 Y304 G325 S326 L327 L331 A332 Q333 M351 L359	L136-I329 HydrophobicContact CD1-CG1 4.13Å; Y304-I329 HydrophobicContact CD1-CD1 4.16Å; Y304-I329 HydrophobicContact CD1-CG2 4.31Å; Y304-I329 HydrophobicContact CD2-CD1 4.37Å; Y304-I329 HydrophobicContact CE1-CB 4.42Å; Y304-I329 HydrophobicContact CE1-CD1 4.27Å; Y304-I329 HydrophobicContact CE1-CG2 3.67Å; Y304-I329 HydrophobicContact CE2-CD1 4.47Å; Y304-I329 HydrophobicContact CG-CD1 4.21Å; G325-I329 WeakPolarHBondContact O-CB 3.48Å; G325-I329 VanDerWaalsContact O-CD1 3.25Å; G325-I329 WeakPolarHBondContact O-CD1 2.98Å; G325-I329 WeakPolarHBondContact O-CG1 3.35Å; G325-I329 PolarHBondContact O-N 2.92Å; S326-I329 PolarHBondContact O-N 2.88Å; L327-I329 PolarHBondContact O-N 2.97Å; I329-L331 PolarHBondContact O-N 2.79Å; I329-A332 PolarHBondContact O-N 3.46Å; I329-Q333 HydrophobicContact CG2-CG 4.24Å; I329-Q333 WeakPolarHBondContact O-CB 3.48Å; I329-Q333 WeakPolarHBondContact O-CG 3.34Å; I329-Q333 PolarHBondContact O-N 3.47Å; I329-M351 HydrophobicContact CD1-CE 3.35Å; I329-M351 HydrophobicContact CG1-CE 4.06Å; I329-L359 HydrophobicContact CD1-CD1 4.5Å; I329-L359 HydrophobicContact CD1-CD2 4.43Å; I329-L359 HydrophobicContact CG1-CD1 4.3Å
330	Q	98	Very high	95.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-64.1	-40.7	-179.7	-70.3	-61	-47.3	0	0	112.2	F272 V298 Y304 S326 L327 D334 H344 E348	F272-Q330 HydrophobicContact CD1-CB 3.58Å; F272-Q330 HydrophobicContact CD1-CG 4.27Å; F272-Q330 HydrophobicContact CE1-CB 3.87Å; F272-Q330 HydrophobicContact CE1-CG 4.47Å; F272-Q330 HydrophobicContact CG-CB 4.17Å; V298-Q330 HydrophobicContact CB-CG 4.33Å; V298-Q330 HydrophobicContact CG1-CB 4.1Å; V298-Q330 HydrophobicContact CG1-CG 3.91Å; Y304-Q330 WeakPolarHBondContact OH-CG 3.02Å; Y304-Q330 PolarHBondContact OH-NE2 3.06Å; S326-Q330 WeakPolarHBondContact O-CG 3.4Å; S326-Q330 PolarHBondContact O-N 2.96Å; L327-Q330 PolarHBondContact O-N 3.27Å; Q330-D334 WeakPolarHBondContact O-CB 3.38Å; Q330-D334 PolarHBondContact O-N 3.2Å; Q330-H344 PolarHBondContact OE1-NE2 3.38Å; Q330-E348 PolarHBondContact NE2-O 3.43Å
331	L	98.4	Very high	95.2	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-62	-44.6	174.8	-66.9	172.4	0	0	0	112	I118 V120 T129 T133 T236 F272 L327 A328 I329 W335	I118-L331 HydrophobicContact CG2-CB 4.25Å; I118-L331 HydrophobicContact CG2-CD1 4.34Å; I118-L331 HydrophobicContact CG2-CD2 4.25Å; V120-L331 HydrophobicContact CG2-CD1 4.05Å; T129-L331 HydrophobicContact CG2-CD1 3.61Å; T133-L331 HydrophobicContact CG2-CB 4.07Å; T236-L331 HydrophobicContact CG2-CB 4.26Å; T236-L331 HydrophobicContact CG2-CD2 3.61Å; F272-L331 HydrophobicContact CB-CD2 4.07Å; F272-L331 HydrophobicContact CD2-CD2 3.94Å; F272-L331 HydrophobicContact CG-CD2 4.35Å; L327-L331 HydrophobicContact CD1-CD1 4.23Å; L327-L331 HydrophobicContact CD1-CG 4.17Å; L327-L331 HydrophobicContact CG-CD1 4.07Å; L327-L331 HydrophobicContact CG-CG 4.44Å; L327-L331 WeakPolarHBondContact O-CG 3.15Å; L327-L331 PolarHBondContact O-N 3.44Å; A328-L331 PolarHBondContact O-N 3.13Å; I329-L331 PolarHBondContact O-N 2.79Å; L331-W335 WeakPolarHBondContact O-CB 3.3Å; L331-W335 PolarHBondContact O-N 3.46Å; L331-W335 VanDerWaalsContact O-N 3.1Å
332	A	97.6	Very high	94.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-65.9	-49.2	178.9	0	0	0	0	0	111.5	T133 L136 L137 A328 I329 D334 W335 L336	T133-A332 HydrophobicContact CG2-CB 4.32Å; L136-A332 HydrophobicContact CB-CB 3.81Å; L136-A332 HydrophobicContact CD1-CB 3.93Å; L137-A332 HydrophobicContact CD2-CB 4Å; L137-A332 HydrophobicContact CG-CB 4.12Å; A328-A332 WeakPolarHBondContact O-CB 3.38Å; A328-A332 PolarHBondContact O-N 3Å; I329-A332 PolarHBondContact O-N 3.46Å; A332-D334 PolarHBondContact O-N 2.73Å; A332-W335 PolarHBondContact O-N 3.04Å; A332-L336 WeakPolarHBondContact O-CB 3.15Å; A332-L336 WeakPolarHBondContact O-CG 3.43Å; A332-L336 PolarHBondContact O-N 3.01Å
333	Q	96.8	Very high	94.3	Very high	5 Å²	5	35.8 Å²	35.8	2%	0.023	20%	0.195	C	C	.	.	H	α-helix	trans	-64.1	-40	-179.3	-72.6	178.4	-37.3	0	0	112.6	I329 L336 S337 H344 K350 L355	I329-Q333 HydrophobicContact CG2-CG 4.24Å; I329-Q333 WeakPolarHBondContact O-CB 3.48Å; I329-Q333 WeakPolarHBondContact O-CG 3.34Å; I329-Q333 PolarHBondContact O-N 3.47Å; Q333-L336 PolarHBondContact O-N 3.44Å; Q333-S337 WeakPolarHBondContact O-CB 3.32Å; Q333-S337 PolarHBondContact O-N 3.28Å; Q333-H344 HydrophobicContact CB-CB 4.34Å; Q333-H344 PolarHBondContact OE1-CE1 2.84Å; Q333-K350 PolarHBondContact NE2-O 2.95Å; Q333-L355 HydrophobicContact CG-CD1 3.73Å; Q333-L355 VanDerWaalsContact NE2-CD1 3.31Å
334	D	97.6	Very high	93.9	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.016	18%	0.177	C	C	.	.	H	α-helix	trans	-61.8	-49.6	174.8	-178.7	64.3	0	0	0	111.2	T236 H270 F272 Q330 A332 L336 S337 Q338	T236-D334 WeakPolarHBondContact CB-OD2 3.46Å; T236-D334 HydrophobicContact CG2-CB 4.13Å; T236-D334 VanDerWaalsContact CG2-OD2 3.28Å; T236-D334 WeakPolarHBondContact CG2-OD2 3.49Å; T236-D334 PolarHBondContact OG1-OD2 3.42Å; H270-D334 IonicContact CE1-OD1 3.86Å; H270-D334 IonicContact CG-OD1 3.68Å; H270-D334 IonicContact ND1-OD1 2.65Å; H270-D334 PolarHBondContact ND1-OD1 3.22Å; H270-D334 IonicContact ND1-OD2 3.24Å; F272-D334 HydrophobicContact CE2-CB 3.55Å; F272-D334 VanDerWaalsContact CE2-CG 3.47Å; F272-D334 HydrophobicContact CZ-CB 3.63Å; Q330-D334 WeakPolarHBondContact O-CB 3.38Å; Q330-D334 PolarHBondContact O-N 3.2Å; A332-D334 PolarHBondContact O-N 2.73Å; D334-L336 VanDerWaalsContact C-N 3.35Å; D334-L336 PolarHBondContact O-N 3.47Å; D334-S337 WeakPolarHBondContact O-CB 2.96Å; D334-S337 PolarHBondContact O-N 3.16Å; D334-S337 VanDerWaalsContact O-N 3.11Å; D334-Q338 VanDerWaalsContact O-CG 3.29Å; D334-Q338 WeakPolarHBondContact O-CG 3.4Å; D334-Q338 PolarHBondContact O-N 2.93Å; D334-Q338 PolarHBondContact OD1-NE2 3.47Å; D334-Q338 PolarHBondContact OD2-NE2 3.44Å
335	W	97.3	Very high	93.7	Very high	20 Å²	20	36.3 Å²	36.3	8%	0.076	20%	0.201	C	C	.	.	H	α-helix	trans	-60.5	-43.5	177.5	-176.3	88.5	0	0	0	112.4	I118 L137 F142 V214 L331 A332 S337 Q338 S339	I118-W335 HydrophobicContact CD1-CB 3.63Å; I118-W335 HydrophobicContact CD1-CG 3.83Å; I118-W335 HydrophobicContact CG1-CB 4.1Å; I118-W335 HydrophobicContact CG1-CG 4.04Å; L137-W335 HydrophobicContact CD1-CE3 4.35Å; L137-W335 HydrophobicContact CD2-CD2 4.39Å; L137-W335 HydrophobicContact CD2-CE3 3.53Å; L137-W335 HydrophobicContact CD2-CZ3 4.06Å; F142-W335 AromaticContact CD1-CH2 3.58Å; F142-W335 HydrophobicContact CD1-CH2 3.58Å; F142-W335 AromaticContact CD1-CZ3 3.71Å; F142-W335 HydrophobicContact CD1-CZ3 3.71Å; F142-W335 HydrophobicContact CD2-CZ3 4.09Å; F142-W335 AromaticContact CE1-CH2 3.73Å; F142-W335 HydrophobicContact CE1-CH2 3.73Å; F142-W335 AromaticContact CE1-CZ3 3.7Å; F142-W335 HydrophobicContact CE1-CZ3 3.7Å; F142-W335 HydrophobicContact CE2-CZ3 4.14Å; F142-W335 HydrophobicContact CG-CH2 4.12Å; F142-W335 AromaticContact CG-CZ3 3.89Å; F142-W335 HydrophobicContact CG-CZ3 3.89Å; F142-W335 HydrophobicContact CZ-CH2 4.42Å; F142-W335 AromaticContact CZ-CZ3 3.93Å; F142-W335 HydrophobicContact CZ-CZ3 3.93Å; V214-W335 HydrophobicContact CB-CD2 4.39Å; V214-W335 HydrophobicContact CB-CH2 3.97Å; V214-W335 HydrophobicContact CB-CZ2 3.5Å; V214-W335 VanDerWaalsContact CB-CZ2 3.5Å; V214-W335 HydrophobicContact CG1-CH2 4.14Å; V214-W335 HydrophobicContact CG1-CZ2 4.17Å; V214-W335 HydrophobicContact CG1-CZ3 4.45Å; V214-W335 HydrophobicContact CG2-CD2 4.06Å; V214-W335 HydrophobicContact CG2-CG 4.34Å; V214-W335 HydrophobicContact CG2-CZ2 3.94Å; L331-W335 WeakPolarHBondContact O-CB 3.3Å; L331-W335 PolarHBondContact O-N 3.46Å; L331-W335 VanDerWaalsContact O-N 3.1Å; A332-W335 PolarHBondContact O-N 3.04Å; W335-S337 VanDerWaalsContact C-N 3.26Å; W335-S337 PolarHBondContact O-N 3.34Å; W335-Q338 PolarHBondContact O-N 2.84Å; W335-S339 WeakPolarHBondContact O-CB 3.09Å; W335-S339 PolarHBondContact O-N 3.11Å
336	L	95.6	Very high	93.4	Very high	2 Å²	2	38 Å²	38	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-58.1	-40.4	175	-71.2	167	0	0	0	111.6	L137 Q140 F142 A332 Q333 D334 S339 K341 Q342	L137-L336 HydrophobicContact CD2-CD1 4.25Å; L137-L336 HydrophobicContact CD2-CD2 3.95Å; L137-L336 HydrophobicContact CD2-CG 3.78Å; Q140-L336 HydrophobicContact CB-CD2 4.23Å; Q140-L336 HydrophobicContact CG-CD1 4Å; Q140-L336 HydrophobicContact CG-CD2 4.47Å; F142-L336 HydrophobicContact CD2-CD2 3.92Å; F142-L336 HydrophobicContact CE2-CD2 3.15Å; F142-L336 HydrophobicContact CZ-CD2 3.68Å; A332-L336 WeakPolarHBondContact O-CB 3.15Å; A332-L336 WeakPolarHBondContact O-CG 3.43Å; A332-L336 PolarHBondContact O-N 3.01Å; Q333-L336 PolarHBondContact O-N 3.44Å; D334-L336 VanDerWaalsContact C-N 3.35Å; D334-L336 PolarHBondContact O-N 3.47Å; L336-S339 PolarHBondContact O-N 3.35Å; L336-S339 PolarHBondContact O-OG 3.2Å; L336-K341 PolarHBondContact O-N 2.77Å; L336-K341 VanDerWaalsContact O-N 3.17Å; L336-Q342 HydrophobicContact CB-CB 4.43Å
337	S	95	Very high	93.2	Very high	37 Å²	37	40.4 Å²	40.4	26%	0.259	23%	0.225	S	C	.	.	H	α-helix	trans	-64.7	-47.3	176.2	-172.3	0	0	0	0	112.3	Q333 D334 W335 S339 G340 Q342 H344	Q333-S337 WeakPolarHBondContact O-CB 3.32Å; Q333-S337 PolarHBondContact O-N 3.28Å; D334-S337 WeakPolarHBondContact O-CB 2.96Å; D334-S337 PolarHBondContact O-N 3.16Å; D334-S337 VanDerWaalsContact O-N 3.11Å; W335-S337 VanDerWaalsContact C-N 3.26Å; W335-S337 PolarHBondContact O-N 3.34Å; S337-S339 VanDerWaalsContact C-N 3.26Å; S337-S339 PolarHBondContact O-N 3.36Å; S337-G340 PolarHBondContact O-N 2.94Å; S337-Q342 VanDerWaalsContact CA-O 3.22Å; S337-Q342 WeakPolarHBondContact CA-O 3.45Å; S337-H344 PolarHBondContact OG-N 3.09Å
338	Q	93.1	Very high	92.9	Very high	54 Å²	54	44.1 Å²	44.1	25%	0.252	24%	0.242	S	C	.	.	H	α-helix	trans	-67.8	-24.4	179.3	-65.8	-161.8	50	0	0	113.8	R235 T236 D334 W335 G340	R235-Q338 PolarHBondContact O-NE2 2.83Å; R235-Q338 VanDerWaalsContact O-NE2 3.14Å; T236-Q338 PolarHBondContact OG1-NE2 3.42Å; D334-Q338 VanDerWaalsContact O-CG 3.29Å; D334-Q338 WeakPolarHBondContact O-CG 3.4Å; D334-Q338 PolarHBondContact O-N 2.93Å; D334-Q338 PolarHBondContact OD1-NE2 3.47Å; D334-Q338 PolarHBondContact OD2-NE2 3.44Å; W335-Q338 PolarHBondContact O-N 2.84Å; Q338-G340 PolarHBondContact O-N 3.5Å
339	S	90.9	Very high	92.6	Very high	47 Å²	47	47 Å²	47	33%	0.329	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-4.6	171.5	76.5	0	0	0	0	113.7	W335 L336 S337 K341	W335-S339 WeakPolarHBondContact O-CB 3.09Å; W335-S339 PolarHBondContact O-N 3.11Å; L336-S339 PolarHBondContact O-N 3.35Å; L336-S339 PolarHBondContact O-OG 3.2Å; S337-S339 VanDerWaalsContact C-N 3.26Å; S337-S339 PolarHBondContact O-N 3.36Å; S339-K341 VanDerWaalsContact C-N 3.33Å; S339-K341 WeakPolarHBondContact OG-CG 3.45Å
340	G	89.1	Confident	92.1	Very high	70 Å²	70	52.9 Å²	52.9	72%	0.722	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	15.2	-179.9	0	0	0	0	0	114.4	S337 Q338	S337-G340 PolarHBondContact O-N 2.94Å; Q338-G340 PolarHBondContact O-N 3.5Å
341	K	83.2	Confident	91.7	Very high	153 Å²	153	53.5 Å²	53.5	67%	0.665	29%	0.289	S	S	*	.	S	Bend	trans	-94.4	-27.4	-172.6	-65.8	-78.5	-170.7	-178.9	0	113.2	F142 L336 S339	F142-K341 HydrophobicContact CE1-CG 4.3Å; F142-K341 HydrophobicContact CZ-CB 4.3Å; F142-K341 HydrophobicContact CZ-CD 4.27Å; F142-K341 HydrophobicContact CZ-CG 3.84Å; L336-K341 PolarHBondContact O-N 2.77Å; L336-K341 VanDerWaalsContact O-N 3.17Å; S339-K341 VanDerWaalsContact C-N 3.33Å; S339-K341 WeakPolarHBondContact OG-CG 3.45Å
342	Q	83.9	Confident	91	Very high	70 Å²	70	55.1 Å²	55.1	33%	0.327	30%	0.297	S	S	.	.	S	Bend	trans	-143.9	157.3	179.7	-175.3	167.5	-21.5	0	0	109.9	L336 S337	L336-Q342 HydrophobicContact CB-CB 4.43Å; S337-Q342 VanDerWaalsContact CA-O 3.22Å; S337-Q342 WeakPolarHBondContact CA-O 3.45Å
343	Q	84.2	Confident	90.5	Very high	186 Å²	186	59.1 Å²	59.1	87%	0.869	32%	0.323	S	S	*	.			trans	-93.8	128.9	163.8	-73.3	-175.4	-6.4	0	0	108.8
344	H	86.3	Confident	90.1	Very high	19 Å²	19	64 Å²	64	9%	0.088	35%	0.346	C	S	.	.			trans	-128.1	133.4	174.8	-178	53.7	0	0	0	109.9	Q330 Q333 S337	Q330-H344 PolarHBondContact OE1-NE2 3.38Å; Q333-H344 HydrophobicContact CB-CB 4.34Å; Q333-H344 PolarHBondContact OE1-CE1 2.84Å; S337-H344 PolarHBondContact OG-N 3.09Å
345	T	90.9	Very high	89.7	Confident	93 Å²	93	63.9 Å²	63.9	57%	0.571	35%	0.345	S	S	*	.			trans	-95.5	120.6	164.9	-56.4	0	0	0	0	107.6	N347 E348	T345-N347 PolarHBondContact O-N 3.47Å; T345-E348 WeakPolarHBondContact O-CB 3.35Å; T345-E348 PolarHBondContact O-N 3.16Å
346	P	91.4	Very high	89.4	Confident	37 Å²	37	63.6 Å²	63.6	24%	0.24	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	138.6	178.1	-29.2	36	0	0	0	112.3	F272 Y296 E348	F272-P346 HydrophobicContact CE1-CB 4.29Å; F272-P346 HydrophobicContact CZ-CB 4.5Å; Y296-P346 HydrophobicContact CD1-CB 3.51Å; Y296-P346 HydrophobicContact CD1-CG 4.39Å; Y296-P346 HydrophobicContact CD2-CB 4.32Å; Y296-P346 HydrophobicContact CE1-CB 3.33Å; Y296-P346 HydrophobicContact CE1-CG 3.76Å; Y296-P346 HydrophobicContact CE2-CB 4.17Å; Y296-P346 HydrophobicContact CE2-CG 4.2Å; Y296-P346 HydrophobicContact CG-CB 4.01Å; P346-E348 PolarHBondContact O-N 3.01Å
347	N	93.1	Very high	89.2	Confident	53 Å²	53	67.4 Å²	67.4	28%	0.283	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	12.9	-174.8	-66.5	-15.7	0	0	0	115.9	E297 T345 V349	E297-N347 PolarHBondContact O-ND2 2.84Å; T345-N347 PolarHBondContact O-N 3.47Å; N347-V349 PolarHBondContact O-N 3.17Å
348	E	92.3	Very high	89.1	Confident	77 Å²	77	65.7 Å²	65.7	36%	0.36	35%	0.354	S	S	.	.			trans	-64.2	119.4	167.5	-172.6	-179.5	174.9	0	0	110	Q330 T345 P346 K350	Q330-E348 PolarHBondContact NE2-O 3.43Å; T345-E348 WeakPolarHBondContact O-CB 3.35Å; T345-E348 PolarHBondContact O-N 3.16Å; P346-E348 PolarHBondContact O-N 3.01Å; E348-K350 HydrophobicContact CG-CB 4.12Å; E348-K350 PolarHBondContact O-N 3.36Å; E348-K350 VanDerWaalsContact O-N 3.08Å
349	V	91.7	Very high	89.2	Confident	62 Å²	62	63.1 Å²	63.1	38%	0.376	34%	0.342	S	S	.	.			trans	-85	82.2	178.8	-178.8	0	0	0	0	109	P299 D303 Y304 N347	P299-V349 HydrophobicContact CB-CG2 3.93Å; P299-V349 HydrophobicContact CG-CG2 3.63Å; D303-V349 HydrophobicContact CB-CG1 3.77Å; D303-V349 HydrophobicContact CB-CG2 4.21Å; D303-V349 WeakPolarHBondContact O-CG1 3.46Å; Y304-V349 VanDerWaalsContact CA-CG1 3.49Å; Y304-V349 HydrophobicContact CD1-CG1 4.13Å; Y304-V349 HydrophobicContact CD2-CG1 4.26Å; Y304-V349 HydrophobicContact CG-CG1 3.98Å; Y304-V349 VanDerWaalsContact N-CG1 3.33Å; N347-V349 PolarHBondContact O-N 3.17Å
350	K	87.6	Confident	89.2	Confident	123 Å²	123	63.5 Å²	63.5	54%	0.535	34%	0.34	S	S	.	.			trans	-137.5	128.8	179.3	-174.4	178.5	177.8	-175.5	0	110.7	Q333 E348	Q333-K350 PolarHBondContact NE2-O 2.95Å; E348-K350 HydrophobicContact CG-CB 4.12Å; E348-K350 PolarHBondContact O-N 3.36Å; E348-K350 VanDerWaalsContact O-N 3.08Å
351	M	89.3	Confident	89.2	Confident	13 Å²	13	61.8 Å²	61.8	6%	0.064	32%	0.317	C	S	.	.			trans	-112.2	110	176.2	-174.3	60	58.3	0	0	109.9	Y304 F305 Y310 I329 L355 L356 L359	Y304-M351 HydrophobicContact CD1-CE 4.09Å; Y304-M351 HydrophobicContact CG-CE 4.25Å; F305-M351 HydrophobicContact CE1-CE 3.86Å; F305-M351 HydrophobicContact CE1-CG 4.04Å; F305-M351 HydrophobicContact CE1-SD 4.47Å; F305-M351 HydrophobicContact CE2-CE 4.49Å; F305-M351 HydrophobicContact CZ-CE 3.6Å; Y310-M351 HydrophobicContact CD2-CB 4.29Å; Y310-M351 HydrophobicContact CE2-CB 3.86Å; Y310-M351 HydrophobicContact CE2-CG 4.14Å; Y310-M351 WeakPolarHBondContact CE2-O 3.41Å; Y310-M351 PolarHBondContact OH-O 2.96Å; Y310-M351 VanDerWaalsContact OH-O 3.11Å; I329-M351 HydrophobicContact CD1-CE 3.35Å; I329-M351 HydrophobicContact CG1-CE 4.06Å; M351-L355 HydrophobicContact SD-CB 3.98Å; M351-L356 HydrophobicContact CG-CB 4Å; M351-L356 HydrophobicContact SD-CB 4.02Å; M351-L359 HydrophobicContact CE-CD2 4.39Å
352	D	85.1	Confident	89.7	Confident	33 Å²	33	55.7 Å²	55.7	18%	0.176	29%	0.292	C	S	.	.			trans	-84.3	157.7	168.5	72.3	69.7	0	0	0	111.4	Q354 L355 L356	D352-Q354 VanDerWaalsContact C-N 3.34Å; D352-Q354 PolarHBondContact O-N 2.97Å; D352-Q354 PolarHBondContact OD1-N 2.97Å; D352-L355 PolarHBondContact O-N 2.78Å; D352-L355 PolarHBondContact OD1-N 3.41Å; D352-L355 WeakPolarHBondContact OD2-CD1 3.41Å; D352-L355 WeakPolarHBondContact OD2-CG 3.42Å; D352-L356 WeakPolarHBondContact O-CB 3.42Å; D352-L356 PolarHBondContact O-N 3.25Å
353	P	86.8	Confident	89.9	Confident	84 Å²	84	54.8 Å²	54.8	55%	0.545	29%	0.288	S	S	.	.	H	α-helix	trans	-61.5	-33.9	-177.5	-26.7	36.4	0	0	0	115.1	L356 D357	P353-L356 WeakPolarHBondContact O-CB 3.43Å; P353-L356 PolarHBondContact O-N 3.4Å; P353-D357 VanDerWaalsContact O-CG 3.27Å; P353-D357 PolarHBondContact O-N 3.06Å
354	Q	87.2	Confident	90.3	Very high	108 Å²	108	47.4 Å²	47.4	51%	0.505	25%	0.252	S	S	.	.	H	α-helix	trans	-74.1	-39.4	-178.6	-73.7	-178.3	-3.5	0	0	111.7	Q140 D352 L356 D357 G358	Q140-Q354 VanDerWaalsContact NE2-CB 3.35Å; D352-Q354 VanDerWaalsContact C-N 3.34Å; D352-Q354 PolarHBondContact O-N 2.97Å; D352-Q354 PolarHBondContact OD1-N 2.97Å; Q354-L356 VanDerWaalsContact C-N 3.33Å; Q354-D357 PolarHBondContact O-N 3.4Å; Q354-G358 PolarHBondContact O-N 2.6Å
355	L	89.4	Confident	90.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-63.5	-40.6	169.9	-70.9	-179.3	0	0	0	110.9	L136 Q140 Q333 M351 D352 D357 G358 L359	L136-L355 HydrophobicContact CB-CD2 4.06Å; L136-L355 HydrophobicContact CD2-CB 4.02Å; L136-L355 HydrophobicContact CD2-CD2 3.83Å; L136-L355 WeakPolarHBondContact CD2-O 3.47Å; L136-L355 HydrophobicContact CG-CD2 4.42Å; Q140-L355 HydrophobicContact CG-CD2 4.29Å; Q333-L355 HydrophobicContact CG-CD1 3.73Å; Q333-L355 VanDerWaalsContact NE2-CD1 3.31Å; M351-L355 HydrophobicContact SD-CB 3.98Å; D352-L355 PolarHBondContact O-N 2.78Å; D352-L355 PolarHBondContact OD1-N 3.41Å; D352-L355 WeakPolarHBondContact OD2-CD1 3.41Å; D352-L355 WeakPolarHBondContact OD2-CG 3.42Å; L355-D357 VanDerWaalsContact C-N 3.34Å; L355-D357 PolarHBondContact O-N 2.95Å; L355-G358 PolarHBondContact O-N 2.69Å; L355-L359 WeakPolarHBondContact O-CB 3.43Å; L355-L359 PolarHBondContact O-N 3.02Å
356	L	91.8	Very high	90.6	Very high	14 Å²	14	42.5 Å²	42.5	7%	0.073	22%	0.224	C	C	.	.	H	α-helix	trans	-59.1	-47.4	174.8	177.5	61.6	0	0	0	111.3	F305 Y310 I313 F317 M351 D352 P353 Q354 G358 L359 I360	F305-L356 HydrophobicContact CE1-CD1 3.98Å; Y310-L356 HydrophobicContact CD1-CD2 3.88Å; Y310-L356 HydrophobicContact CE1-CD2 3.53Å; I313-L356 HydrophobicContact CD1-CD1 3.94Å; I313-L356 HydrophobicContact CD1-CD2 3.96Å; F317-L356 HydrophobicContact CE1-CD1 4.44Å; F317-L356 HydrophobicContact CZ-CD1 3.92Å; M351-L356 HydrophobicContact CG-CB 4Å; M351-L356 HydrophobicContact SD-CB 4.02Å; D352-L356 WeakPolarHBondContact O-CB 3.42Å; D352-L356 PolarHBondContact O-N 3.25Å; P353-L356 WeakPolarHBondContact O-CB 3.43Å; P353-L356 PolarHBondContact O-N 3.4Å; Q354-L356 VanDerWaalsContact C-N 3.33Å; L356-G358 VanDerWaalsContact C-N 3.32Å; L356-G358 PolarHBondContact O-N 3.45Å; L356-L359 WeakPolarHBondContact O-CB 3.14Å; L356-L359 PolarHBondContact O-N 2.97Å; L356-I360 HydrophobicContact CD1-CG2 3.9Å; L356-I360 WeakPolarHBondContact O-CG1 3.45Å; L356-I360 WeakPolarHBondContact O-CG2 3.38Å; L356-I360 PolarHBondContact O-N 2.82Å
357	D	91	Very high	90.6	Very high	83 Å²	83	44.2 Å²	44.2	44%	0.444	23%	0.226	S	C	.	.	H	α-helix	trans	-59	-43.5	177.8	-73.8	-18.3	0	0	0	111.4	P353 Q354 L355 I360 S361	P353-D357 VanDerWaalsContact O-CG 3.27Å; P353-D357 PolarHBondContact O-N 3.06Å; Q354-D357 PolarHBondContact O-N 3.4Å; L355-D357 VanDerWaalsContact C-N 3.34Å; L355-D357 PolarHBondContact O-N 2.95Å; D357-I360 WeakPolarHBondContact O-CG1 3.24Å; D357-S361 WeakPolarHBondContact O-CB 3.37Å; D357-S361 PolarHBondContact O-N 2.88Å; D357-S361 PolarHBondContact O-OG 3.31Å
358	G	93.6	Very high	90.6	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-64.6	-38.5	175.4	0	0	0	0	0	113.5	S135 H139 Q354 L355 L356 T362	S135-G358 WeakPolarHBondContact CB-O 3.42Å; S135-G358 PolarHBondContact OG-O 3.02Å; H139-G358 VanDerWaalsContact CG-CA 3.41Å; H139-G358 WeakPolarHBondContact ND1-CA 3.49Å; Q354-G358 PolarHBondContact O-N 2.6Å; L355-G358 PolarHBondContact O-N 2.69Å; L356-G358 VanDerWaalsContact C-N 3.32Å; L356-G358 PolarHBondContact O-N 3.45Å; G358-T362 PolarHBondContact O-N 3.03Å; G358-T362 PolarHBondContact O-OG1 3.02Å
359	L	93.5	Very high	90.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65	-51.1	178.4	-162	75.3	0	0	0	111.2	L132 L136 F305 I321 I329 M351 L355 L356 S361 T362	L132-L359 HydrophobicContact CD2-CD1 3.6Å; L132-L359 HydrophobicContact CD2-CG 4.26Å; L136-L359 HydrophobicContact CD1-CD1 4.42Å; L136-L359 HydrophobicContact CD2-CB 4.11Å; L136-L359 HydrophobicContact CD2-CD1 4.34Å; F305-L359 HydrophobicContact CE1-CD2 4.49Å; F305-L359 HydrophobicContact CE2-CD2 4.43Å; F305-L359 HydrophobicContact CZ-CD2 3.61Å; I321-L359 HydrophobicContact CD1-CG 4.21Å; I321-L359 WeakPolarHBondContact CD1-O 3.42Å; I321-L359 HydrophobicContact CG1-CG 4.17Å; I321-L359 HydrophobicContact CG2-CD1 4.45Å; I321-L359 HydrophobicContact CG2-CD2 3.61Å; I321-L359 HydrophobicContact CG2-CG 3.93Å; I329-L359 HydrophobicContact CD1-CD1 4.5Å; I329-L359 HydrophobicContact CD1-CD2 4.43Å; I329-L359 HydrophobicContact CG1-CD1 4.3Å; M351-L359 HydrophobicContact CE-CD2 4.39Å; L355-L359 WeakPolarHBondContact O-CB 3.43Å; L355-L359 PolarHBondContact O-N 3.02Å; L356-L359 WeakPolarHBondContact O-CB 3.14Å; L356-L359 PolarHBondContact O-N 2.97Å; L359-S361 VanDerWaalsContact C-N 3.32Å; L359-S361 PolarHBondContact O-N 2.85Å; L359-T362 WeakPolarHBondContact O-CB 3.38Å; L359-T362 PolarHBondContact O-N 3.38Å; L359-T362 PolarHBondContact O-OG1 3.14Å; L359-T362 VanDerWaalsContact O-OG1 3.13Å
360	I	91.4	Very high	90.5	Very high	56 Å²	56	38.9 Å²	38.9	29%	0.287	20%	0.197	S	C	.	.	H	α-helix	trans	-73.1	-24.4	-177.2	68.2	-177.7	0	0	0	113	F317 L356 D357 T362	F317-I360 HydrophobicContact CD1-CG2 4.21Å; F317-I360 HydrophobicContact CE1-CG2 3.51Å; F317-I360 HydrophobicContact CZ-CG2 4.28Å; L356-I360 HydrophobicContact CD1-CG2 3.9Å; L356-I360 WeakPolarHBondContact O-CG1 3.45Å; L356-I360 WeakPolarHBondContact O-CG2 3.38Å; L356-I360 PolarHBondContact O-N 2.82Å; D357-I360 WeakPolarHBondContact O-CG1 3.24Å; I360-T362 VanDerWaalsContact C-N 3.28Å
361	S	90.1	Very high	90.6	Very high	34 Å²	34	33.8 Å²	33.8	24%	0.238	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	0.5	177.4	-56.9	0	0	0	0	113.3	D357 L359 H363	D357-S361 WeakPolarHBondContact O-CB 3.37Å; D357-S361 PolarHBondContact O-N 2.88Å; D357-S361 PolarHBondContact O-OG 3.31Å; L359-S361 VanDerWaalsContact C-N 3.32Å; L359-S361 PolarHBondContact O-N 2.85Å; S361-H363 PolarHBondContact O-N 3.31Å
362	T	92.9	Very high	90.5	Very high	25 Å²	25	36.7 Å²	36.7	15%	0.153	19%	0.189	C	C	.	.			trans	-65.8	121.7	-179.9	-62.4	0	0	0	0	110.7	A131 L132 S135 L320 G358 L359 I360	A131-T362 HydrophobicContact CB-CG2 4.16Å; L132-T362 HydrophobicContact CD2-CG2 3.84Å; L132-T362 WeakPolarHBondContact CD2-OG1 3.4Å; L132-T362 HydrophobicContact CG-CG2 4.13Å; S135-T362 VanDerWaalsContact CB-OG1 3.23Å; S135-T362 WeakPolarHBondContact CB-OG1 3.48Å; S135-T362 PolarHBondContact OG-OG1 3.31Å; L320-T362 HydrophobicContact CD2-CG2 4.26Å; G358-T362 PolarHBondContact O-N 3.03Å; G358-T362 PolarHBondContact O-OG1 3.02Å; L359-T362 WeakPolarHBondContact O-CB 3.38Å; L359-T362 PolarHBondContact O-N 3.38Å; L359-T362 PolarHBondContact O-OG1 3.14Å; L359-T362 VanDerWaalsContact O-OG1 3.13Å; I360-T362 VanDerWaalsContact C-N 3.28Å
363	H	88.6	Confident	90.5	Very high	50 Å²	50	35.6 Å²	35.6	23%	0.231	18%	0.182	C	C	.	.			trans	-109.7	112.5	174.3	-174.6	69	0	0	0	110.4	V34 L35 N36 P37 S361	V34-H363 PolarHBondContact O-CE1 3.43Å; V34-H363 PolarHBondContact O-NE2 3.49Å; L35-H363 PolarHBondContact O-CD2 3.32Å; L35-H363 PolarHBondContact O-NE2 2.95Å; N36-H363 PolarHBondContact O-NE2 3.31Å; P37-H363 HydrophobicContact CB-CB 3.9Å; S361-H363 PolarHBondContact O-N 3.31Å
364	W	92.3	Very high	90.4	Very high	32 Å²	32	36 Å²	36	12%	0.121	18%	0.177	C	C	.	.			trans	-130.6	98.3	177.7	-170.5	-126.6	0	0	0	110.3	A131 F146 L320 R367	A131-W364 HydrophobicContact CB-CB 4.05Å; A131-W364 HydrophobicContact CB-CD2 3.84Å; A131-W364 HydrophobicContact CB-CE3 3.74Å; A131-W364 HydrophobicContact CB-CG 3.97Å; F146-W364 AromaticContact CE1-CH2 3.84Å; F146-W364 HydrophobicContact CE1-CH2 3.84Å; F146-W364 AromaticContact CE1-CZ3 3.56Å; F146-W364 HydrophobicContact CE1-CZ3 3.56Å; F146-W364 HydrophobicContact CZ-CE3 4.21Å; F146-W364 AromaticContact CZ-CH2 3.55Å; F146-W364 HydrophobicContact CZ-CH2 3.55Å; F146-W364 HydrophobicContact CZ-CZ2 4.44Å; F146-W364 AromaticContact CZ-CZ3 3.39Å; F146-W364 HydrophobicContact CZ-CZ3 3.39Å; L320-W364 HydrophobicContact CD1-CB 3.51Å; L320-W364 HydrophobicContact CD1-CG 3.99Å; W364-R367 VanDerWaalsContact CD1-CG 3.47Å
365	P	91.5	Very high	90.3	Very high	6 Å²	6	32.2 Å²	32.2	4%	0.039	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	150.9	-174.9	-26.1	34.9	0	0	0	113.7	V34 L35 I152 R367	V34-P365 HydrophobicContact CG1-CB 3.96Å; V34-P365 WeakPolarHBondContact O-CG 3.4Å; L35-P365 HydrophobicContact CD2-CB 4.38Å; L35-P365 HydrophobicContact CD2-CG 4.31Å; I152-P365 HydrophobicContact CD1-CB 3.62Å; I152-P365 WeakPolarHBondContact CD1-O 3.01Å; P365-R367 VanDerWaalsContact C-N 3.34Å; P365-R367 PolarHBondContact O-N 3.42Å
366	G	91.2	Very high	90.3	Very high	3 Å²	3	32.2 Å²	32.2	3%	0.031	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	73	18	174.3	0	0	0	0	0	115.9	D381 G382	G366-D381 WeakPolarHBondContact O-CA 2.98Å; G366-G382 PolarHBondContact O-N 2.65Å
367	R	92.7	Very high	90.4	Very high	73 Å²	73	33.6 Å²	33.6	28%	0.275	17%	0.171	S	C	.	.	S	Bend	trans	-125.5	104.9	173.1	-62.3	-57.7	179.9	-155.8	-2.2	110.5	L320 W364 P365 Q369 G382	L320-R367 HydrophobicContact CD1-CB 4.24Å; W364-R367 VanDerWaalsContact CD1-CG 3.47Å; P365-R367 VanDerWaalsContact C-N 3.34Å; P365-R367 PolarHBondContact O-N 3.42Å; R367-Q369 PolarHBondContact O-N 2.91Å; R367-G382 PolarHBondContact NH1-O 2.77Å
368	C	91.9	Very high	90.5	Very high	10 Å²	10	29.8 Å²	29.8	7%	0.068	15%	0.15	C	C	.	.	S	Bend	trans	46.4	45.1	-177.9	-61.9	0	0	0	0	111.6	L380 D381 W395	C368-L380 PolarHBondContact N-O 3.29Å; C368-D381 PolarHBondContact N-OD2 3.3Å; C368-D381 PolarHBondContact SG-OD2 3.05Å; C368-D381 VanDerWaalsContact SG-OD2 3.37Å; C368-W395 VanDerWaalsContact C-CH2 3.45Å; C368-W395 VanDerWaalsContact CA-CZ2 3.49Å; C368-W395 HydrophobicContact CB-CD2 3.63Å; C368-W395 HydrophobicContact CB-CE3 4.15Å; C368-W395 HydrophobicContact CB-CG 3.88Å; C368-W395 HydrophobicContact CB-CH2 4.45Å; C368-W395 HydrophobicContact CB-CZ2 3.99Å; C368-W395 WeakPolarHBondContact O-CZ2 3.24Å
369	Q	91.6	Very high	90.7	Very high	19 Å²	19	29.8 Å²	29.8	9%	0.089	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	126.7	-172.3	-176.7	177	17.4	0	0	110.4	V34 R367 I371 L380	V34-Q369 PolarHBondContact O-NE2 2.58Å; V34-Q369 VanDerWaalsContact O-NE2 3.11Å; R367-Q369 PolarHBondContact O-N 2.91Å; Q369-I371 HydrophobicContact CG-CD1 4.24Å; Q369-I371 HydrophobicContact CG-CG1 4.07Å; Q369-L380 HydrophobicContact CB-CB 4.36Å; Q369-L380 PolarHBondContact N-O 3.36Å; Q369-L380 PolarHBondContact O-N 3.48Å
370	L	90.9	Very high	90.8	Very high	51 Å²	51	29.9 Å²	29.9	27%	0.267	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	133	174.3	-64.2	175.9	0	0	0	110.8	L378 H379 W395	L370-L378 CarbonylContact C-O 3.41Å; L370-L378 WeakPolarHBondContact CA-O 3.17Å; L370-H379 HydrophobicContact CD2-CB 4.38Å; L370-H379 VanDerWaalsContact CD2-CE1 3.44Å; L370-H379 WeakPolarHBondContact CD2-CE1 3.31Å; L370-H379 WeakPolarHBondContact CD2-ND1 3.38Å; L370-W395 HydrophobicContact CD2-CH2 3.96Å; L370-W395 HydrophobicContact CD2-CZ2 3.54Å; L370-W395 HydrophobicContact CG-CZ2 3.79Å
371	I	89.3	Confident	91	Very high	15 Å²	15	27.6 Å²	27.6	8%	0.077	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	131	175.1	-52.8	-177.8	0	0	0	110.6	L30 V34 Q369 L378 L380	L30-I371 HydrophobicContact CD1-CD1 4.36Å; L30-I371 HydrophobicContact CD1-CG2 3.6Å; V34-I371 HydrophobicContact CB-CD1 4.03Å; V34-I371 HydrophobicContact CG1-CD1 4.5Å; V34-I371 HydrophobicContact CG2-CD1 3.19Å; Q369-I371 HydrophobicContact CG-CD1 4.24Å; Q369-I371 HydrophobicContact CG-CG1 4.07Å; I371-L378 HydrophobicContact CB-CB 4.42Å; I371-L378 PolarHBondContact N-O 3.2Å; I371-L378 WeakPolarHBondContact O-CB 3.27Å; I371-L378 PolarHBondContact O-N 3.11Å; I371-L380 HydrophobicContact CD1-CD1 3.77Å; I371-L380 HydrophobicContact CG1-CD1 4.41Å
372	E	88.1	Confident	91.2	Very high	74 Å²	74	26 Å²	26	35%	0.346	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	129.3	171.7	-62.2	-63.7	169.1	0	0	111.1	L21 R377 Q511	L21-E372 HydrophobicContact CD2-CG 4.4Å; E372-R377 VanDerWaalsContact OE1-CD 3.24Å; E372-R377 WeakPolarHBondContact OE1-CD 3.38Å; E372-R377 WeakPolarHBondContact OE1-CG 3.2Å; E372-Q511 PolarHBondContact OE1-NE2 3.32Å; E372-Q511 PolarHBondContact OE2-NE2 3.45Å
373	W	85.3	Confident	91.2	Very high	10 Å²	10	24.8 Å²	24.8	4%	0.038	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	106.8	-177.2	-171.1	-104.2	0	0	0	112.4	L30 G375 M376 L378 D534	L30-W373 HydrophobicContact CB-CD2 4.29Å; L30-W373 HydrophobicContact CB-CE3 4.03Å; L30-W373 HydrophobicContact CB-CH2 3.77Å; L30-W373 HydrophobicContact CB-CZ2 4.01Å; L30-W373 HydrophobicContact CB-CZ3 3.77Å; L30-W373 HydrophobicContact CD1-CD2 4.08Å; L30-W373 HydrophobicContact CD1-CE3 3.78Å; L30-W373 HydrophobicContact CD1-CG 4.44Å; L30-W373 HydrophobicContact CD1-CZ3 4.28Å; L30-W373 HydrophobicContact CD2-CD2 4.24Å; L30-W373 HydrophobicContact CD2-CG 4.38Å; L30-W373 HydrophobicContact CG-CD2 4.44Å; L30-W373 HydrophobicContact CG-CE3 4.35Å; W373-G375 PolarHBondContact O-N 3.32Å; W373-M376 PolarHBondContact N-O 3.06Å; W373-M376 WeakPolarHBondContact O-CA 3.4Å; W373-M376 VanDerWaalsContact O-CB 3.29Å; W373-M376 WeakPolarHBondContact O-CB 3.37Å; W373-M376 PolarHBondContact O-N 3.11Å; W373-L378 HydrophobicContact CB-CD1 3.92Å; W373-L378 HydrophobicContact CB-CG 4.32Å; W373-L378 HydrophobicContact CG-CD1 4.47Å; W373-D534 VanDerWaalsContact CH2-OD2 3.31Å; W373-D534 WeakPolarHBondContact CH2-OD2 3.29Å; W373-D534 HydrophobicContact CZ2-CB 4.26Å; W373-D534 WeakPolarHBondContact CZ2-OD2 3.26Å
374	H	84.1	Confident	91.3	Very high	93 Å²	93	24.6 Å²	24.6	43%	0.431	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.1	57.2	175.5	-60.6	-58.2	0	0	0	114.8	M376 D534	H374-M376 PolarHBondContact O-N 3.28Å; H374-D534 IonicContact CD2-OD1 3.76Å; H374-D534 PolarHBondContact CD2-OD1 2.99Å; H374-D534 IonicContact CD2-OD2 2.72Å; H374-D534 PolarHBondContact CD2-OD2 2.78Å; H374-D534 IonicContact CE1-OD2 3.9Å; H374-D534 VanDerWaalsContact NE2-CG 3.3Å; H374-D534 IonicContact NE2-OD1 2.74Å; H374-D534 PolarHBondContact NE2-OD1 3.48Å; H374-D534 IonicContact NE2-OD2 2.82Å; H374-D534 PolarHBondContact NE2-OD2 2.84Å
375	G	84.8	Confident	91.1	Very high	28 Å²	28	24.1 Å²	24.1	29%	0.289	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	4.6	-178.4	0	0	0	0	0	114.4	W373 Q511 L512	W373-G375 PolarHBondContact O-N 3.32Å; G375-Q511 CarbonylContact O-C 3.58Å; G375-Q511 VanDerWaalsContact O-CA 3.25Å; G375-Q511 WeakPolarHBondContact O-CA 3.46Å; G375-L512 PolarHBondContact O-N 3.39Å
376	M	89.8	Confident	91	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	126.6	173	-56.4	178.4	-66.9	0	0	110.6	W373 H374 L378 F495 L512 V514 L530	W373-M376 PolarHBondContact N-O 3.06Å; W373-M376 WeakPolarHBondContact O-CA 3.4Å; W373-M376 VanDerWaalsContact O-CB 3.29Å; W373-M376 WeakPolarHBondContact O-CB 3.37Å; W373-M376 PolarHBondContact O-N 3.11Å; H374-M376 PolarHBondContact O-N 3.28Å; M376-L378 HydrophobicContact CB-CD2 3.95Å; M376-F495 HydrophobicContact CE-CD1 4.5Å; M376-F495 HydrophobicContact SD-CD1 4.23Å; M376-F495 HydrophobicContact SD-CE1 4.43Å; M376-L512 HydrophobicContact CG-CB 4.2Å; M376-L512 HydrophobicContact CG-CD1 4.11Å; M376-V514 HydrophobicContact CB-CG2 4.12Å; M376-V514 HydrophobicContact CG-CG2 4.25Å; M376-V514 HydrophobicContact SD-CG2 4.28Å; M376-L530 HydrophobicContact CE-CD2 3.67Å
377	R	93.1	Very high	90.9	Very high	44 Å²	44	31.2 Å²	31.2	17%	0.166	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	102.5	162.3	-164.6	164	69.6	158.8	8	108.2	E372 H379 N399 Q511 L512 E513 V514	E372-R377 VanDerWaalsContact OE1-CD 3.24Å; E372-R377 WeakPolarHBondContact OE1-CD 3.38Å; E372-R377 WeakPolarHBondContact OE1-CG 3.2Å; R377-H379 PolarHBondContact O-CD2 3.22Å; R377-N399 PolarHBondContact NH2-O 2.98Å; R377-Q511 HydrophobicContact CB-CG 4.2Å; R377-L512 PolarHBondContact N-O 2.99Å; R377-E513 IonicContact CZ-OE1 2.68Å; R377-E513 VanDerWaalsContact CZ-OE1 3.31Å; R377-E513 IonicContact CZ-OE2 3.33Å; R377-E513 IonicContact NE-OE1 2.87Å; R377-E513 PolarHBondContact NE-OE1 3.11Å; R377-E513 IonicContact NE-OE2 2.78Å; R377-E513 PolarHBondContact NE-OE2 3.14Å; R377-E513 IonicContact NH2-OE1 2.92Å; R377-E513 PolarHBondContact NH2-OE1 3.34Å; R377-E513 IonicContact NH2-OE2 3.31Å; R377-E513 PolarHBondContact NH2-OE2 3.14Å; R377-V514 PolarHBondContact O-N 3.17Å
378	L	94.9	Very high	90.8	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.01	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	125.2	179.1	-53.9	177.7	0	0	0	109.7	L30 L370 I371 W373 M376 L380 V514 L530	L30-L378 HydrophobicContact CD1-CD1 4.44Å; L30-L378 HydrophobicContact CD2-CD1 4.01Å; L370-L378 CarbonylContact C-O 3.41Å; L370-L378 WeakPolarHBondContact CA-O 3.17Å; I371-L378 HydrophobicContact CB-CB 4.42Å; I371-L378 PolarHBondContact N-O 3.2Å; I371-L378 WeakPolarHBondContact O-CB 3.27Å; I371-L378 PolarHBondContact O-N 3.11Å; W373-L378 HydrophobicContact CB-CD1 3.92Å; W373-L378 HydrophobicContact CB-CG 4.32Å; W373-L378 HydrophobicContact CG-CD1 4.47Å; M376-L378 HydrophobicContact CB-CD2 3.95Å; L378-L380 HydrophobicContact CB-CD2 4.11Å; L378-L380 HydrophobicContact CB-CG 4.27Å; L378-V514 HydrophobicContact CD2-CB 3.92Å; L378-V514 HydrophobicContact CD2-CG1 4.31Å; L378-V514 HydrophobicContact CD2-CG2 4.36Å; L378-L530 HydrophobicContact CD1-CD1 3.5Å; L378-L530 HydrophobicContact CD2-CD1 4.24Å
379	H	96.6	Very high	91	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	103.8	172.5	-61.5	-112.8	0	0	0	107.6	L370 R377 W395 F396 E513 V514 L515 V516	L370-H379 HydrophobicContact CD2-CB 4.38Å; L370-H379 VanDerWaalsContact CD2-CE1 3.44Å; L370-H379 WeakPolarHBondContact CD2-CE1 3.31Å; L370-H379 WeakPolarHBondContact CD2-ND1 3.38Å; R377-H379 PolarHBondContact O-CD2 3.22Å; H379-W395 HydrophobicContact CB-CH2 3.58Å; H379-W395 HydrophobicContact CB-CZ3 3.74Å; H379-W395 AromaticContact ND1-CH2 3.91Å; H379-F396 HydrophobicContact CB-CD2 3.86Å; H379-F396 HydrophobicContact CB-CE2 4.11Å; H379-F396 AromaticContact CD2-CE2 3.69Å; H379-F396 AromaticContact CE1-CD2 3.95Å; H379-F396 AromaticContact CE1-CE2 4Å; H379-F396 AromaticContact CG-CD2 3.59Å; H379-F396 AromaticContact CG-CE2 3.68Å; H379-F396 AromaticContact ND1-CD2 3.5Å; H379-F396 WeakPolarHBondContact ND1-CD2 3.43Å; H379-F396 AromaticContact ND1-CE2 3.88Å; H379-F396 AromaticContact NE2-CE2 3.9Å; H379-E513 IonicContact CD2-OE2 3.28Å; H379-E513 IonicContact CE1-OE2 3.75Å; H379-E513 IonicContact NE2-OE2 2.88Å; H379-E513 PolarHBondContact NE2-OE2 3.49Å; H379-V514 PolarHBondContact N-O 3.32Å; H379-L515 HydrophobicContact CB-CD1 3.95Å; H379-L515 WeakPolarHBondContact O-CA 3.4Å; H379-L515 WeakPolarHBondContact O-CD1 3.31Å; H379-V516 PolarHBondContact O-N 3.49Å
380	L	96.3	Very high	91.1	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.01	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	117.7	-172.5	-53.9	-179.7	0	0	0	110.6	V34 C368 Q369 I371 L378 V516 L523 I527	V34-L380 HydrophobicContact CG2-CD1 4.34Å; C368-L380 PolarHBondContact N-O 3.29Å; Q369-L380 HydrophobicContact CB-CB 4.36Å; Q369-L380 PolarHBondContact N-O 3.36Å; Q369-L380 PolarHBondContact O-N 3.48Å; I371-L380 HydrophobicContact CD1-CD1 3.77Å; I371-L380 HydrophobicContact CG1-CD1 4.41Å; L378-L380 HydrophobicContact CB-CD2 4.11Å; L378-L380 HydrophobicContact CB-CG 4.27Å; L380-V516 HydrophobicContact CD2-CB 3.78Å; L380-V516 HydrophobicContact CD2-CG2 3.75Å; L380-L523 HydrophobicContact CB-CD1 4.24Å; L380-L523 HydrophobicContact CB-CD2 4.38Å; L380-L523 HydrophobicContact CD2-CD2 4.48Å; L380-I527 HydrophobicContact CD1-CD1 4.41Å; L380-I527 HydrophobicContact CD1-CG1 4.37Å
381	D	95.9	Very high	91.2	Very high	9 Å²	9	31.6 Å²	31.6	5%	0.048	16%	0.162	C	C	.	.			trans	-144.2	131.8	172.6	-163.7	-72.8	0	0	0	112.8	G366 C368 A383 C392 W395 V516 T517	G366-D381 WeakPolarHBondContact O-CA 2.98Å; C368-D381 PolarHBondContact N-OD2 3.3Å; C368-D381 PolarHBondContact SG-OD2 3.05Å; C368-D381 VanDerWaalsContact SG-OD2 3.37Å; D381-A383 PolarHBondContact O-N 3.47Å; D381-A383 WeakPolarHBondContact OD1-CA 3.38Å; D381-A383 VanDerWaalsContact OD1-CB 3.23Å; D381-A383 WeakPolarHBondContact OD1-CB 3.13Å; D381-A383 PolarHBondContact OD1-N 3.31Å; D381-C392 HydrophobicContact CB-CB 4.35Å; D381-W395 HydrophobicContact CB-CZ3 4.48Å; D381-V516 PolarHBondContact N-O 3.44Å; D381-V516 VanDerWaalsContact N-O 3.15Å; D381-T517 VanDerWaalsContact O-CA 3.26Å; D381-T517 WeakPolarHBondContact O-CA 3.37Å; D381-T517 WeakPolarHBondContact O-CB 3.47Å; D381-T517 PolarHBondContact O-OG1 3.4Å; D381-T517 VanDerWaalsContact O-OG1 3.11Å
382	G	93.8	Very high	91.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.158	C	C	.	.			trans	-81.3	20.3	179.9	0	0	0	0	0	115.6	G366 R367 H384	G366-G382 PolarHBondContact O-N 2.65Å; R367-G382 PolarHBondContact NH1-O 2.77Å; G382-H384 PolarHBondContact O-ND1 2.85Å
383	A	92.7	Very high	91.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.144	C	C	.	.			trans	-58.4	134.8	179.4	0	0	0	0	0	111.9	D381 S388 M389 C392 G518	D381-A383 PolarHBondContact O-N 3.47Å; D381-A383 WeakPolarHBondContact OD1-CA 3.38Å; D381-A383 VanDerWaalsContact OD1-CB 3.23Å; D381-A383 WeakPolarHBondContact OD1-CB 3.13Å; D381-A383 PolarHBondContact OD1-N 3.31Å; A383-S388 WeakPolarHBondContact CA-OG 3.46Å; A383-S388 WeakPolarHBondContact CB-O 3.41Å; A383-M389 HydrophobicContact CB-CE 3.97Å; A383-M389 HydrophobicContact CB-SD 4.31Å; A383-M389 WeakPolarHBondContact O-CE 3.43Å; A383-C392 HydrophobicContact CB-CB 3.79Å; A383-G518 CarbonylContact O-C 3.6Å; A383-G518 WeakPolarHBondContact O-CA 3.27Å; A383-G518 PolarHBondContact O-N 2.99Å
384	H	89.9	Confident	92.4	Very high	45 Å²	45	30 Å²	30	21%	0.208	16%	0.157	C	C	.	.			trans	-152.5	3.7	-175.2	60.7	-88.9	0	0	0	114.2	K124 E245 G382 S388 R413 G518	K124-H384 PolarHBondContact NZ-CE1 3.5Å; K124-H384 PolarHBondContact NZ-NE2 2.77Å; E245-H384 IonicContact OE1-NE2 3.88Å; E245-H384 PolarHBondContact OE1-NE2 2.76Å; G382-H384 PolarHBondContact O-ND1 2.85Å; H384-S388 PolarHBondContact N-OG 3.43Å; H384-S388 VanDerWaalsContact N-OG 3.08Å; H384-R413 PolarHBondContact O-NE 3.46Å; H384-R413 VanDerWaalsContact O-NE 3.07Å; H384-G518 WeakPolarHBondContact CB-O 3.44Å
385	T	88.9	Confident	92.9	Very high	23 Å²	23	26.7 Å²	26.7	14%	0.141	14%	0.141	C	C	.	.	S	Bend	trans	-118.4	163.4	166.2	66.4	0	0	0	0	109.3	K124 E387 S388 M389	K124-T385 WeakPolarHBondContact CE-OG1 3.49Å; K124-T385 VanDerWaalsContact NZ-CG2 3.27Å; T385-E387 PolarHBondContact O-N 2.86Å; T385-S388 PolarHBondContact N-OG 2.88Å; T385-S388 PolarHBondContact O-N 3.03Å; T385-S388 PolarHBondContact O-OG 3.34Å; T385-S388 PolarHBondContact OG1-N 3.48Å; T385-S388 PolarHBondContact OG1-OG 2.81Å; T385-S388 VanDerWaalsContact OG1-OG 3.08Å; T385-M389 VanDerWaalsContact O-CB 3.3Å; T385-M389 WeakPolarHBondContact O-CB 3.48Å; T385-M389 PolarHBondContact O-N 2.77Å
386	L	89.6	Confident	93.4	Very high	78 Å²	78	25.4 Å²	25.4	41%	0.408	13%	0.127	S	C	.	.	H	α-helix	trans	-56.5	-52.5	-178.8	-175.8	59.9	0	0	0	111.7	S388 M389 E390 P421 L422 L425	L386-S388 PolarHBondContact O-N 2.87Å; L386-M389 WeakPolarHBondContact O-CA 3.24Å; L386-M389 WeakPolarHBondContact O-CB 3.29Å; L386-M389 PolarHBondContact O-N 3.11Å; L386-E390 WeakPolarHBondContact O-CG 3.49Å; L386-E390 PolarHBondContact O-N 2.91Å; L386-P421 HydrophobicContact CD1-CB 4.13Å; L386-P421 HydrophobicContact CD2-CB 4.45Å; L386-L422 VanDerWaalsContact CA-CD2 3.5Å; L386-L422 HydrophobicContact CB-CD2 4.16Å; L386-L422 HydrophobicContact CD1-CD2 4.24Å; L386-L425 HydrophobicContact CD1-CD2 4.2Å
387	E	88.8	Confident	93.6	Very high	79 Å²	79	29.4 Å²	29.4	37%	0.369	15%	0.146	S	C	.	.	H	α-helix	trans	-53.7	-48.2	176.9	-178.2	-171.9	-171.2	0	0	112.9	T385 M389 E390 V391	T385-E387 PolarHBondContact O-N 2.86Å; E387-M389 VanDerWaalsContact C-N 3.28Å; E387-M389 PolarHBondContact O-N 2.73Å; E387-E390 PolarHBondContact O-N 3.01Å; E387-V391 PolarHBondContact O-N 3.38Å
388	S	91.1	Very high	93.6	Very high	18 Å²	18	32.7 Å²	32.7	13%	0.126	16%	0.161	C	C	.	.	H	α-helix	trans	-68.2	-30.9	178.1	61.7	0	0	0	0	112.6	A383 H384 T385 L386 C392	A383-S388 WeakPolarHBondContact CA-OG 3.46Å; A383-S388 WeakPolarHBondContact CB-O 3.41Å; H384-S388 PolarHBondContact N-OG 3.43Å; H384-S388 VanDerWaalsContact N-OG 3.08Å; T385-S388 PolarHBondContact N-OG 2.88Å; T385-S388 PolarHBondContact O-N 3.03Å; T385-S388 PolarHBondContact O-OG 3.34Å; T385-S388 PolarHBondContact OG1-N 3.48Å; T385-S388 PolarHBondContact OG1-OG 2.81Å; T385-S388 VanDerWaalsContact OG1-OG 3.08Å; L386-S388 PolarHBondContact O-N 2.87Å; S388-C392 WeakPolarHBondContact O-CB 3.37Å; S388-C392 PolarHBondContact O-N 2.84Å
389	M	94.6	Very high	93.4	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-72.7	-36	179.9	-168.4	61	64.9	0	0	110.6	A383 T385 L386 E387 V391 C392 T393 F411 L422 L425 L426 T517	A383-M389 HydrophobicContact CB-CE 3.97Å; A383-M389 HydrophobicContact CB-SD 4.31Å; A383-M389 WeakPolarHBondContact O-CE 3.43Å; T385-M389 VanDerWaalsContact O-CB 3.3Å; T385-M389 WeakPolarHBondContact O-CB 3.48Å; T385-M389 PolarHBondContact O-N 2.77Å; L386-M389 WeakPolarHBondContact O-CA 3.24Å; L386-M389 WeakPolarHBondContact O-CB 3.29Å; L386-M389 PolarHBondContact O-N 3.11Å; E387-M389 VanDerWaalsContact C-N 3.28Å; E387-M389 PolarHBondContact O-N 2.73Å; M389-V391 VanDerWaalsContact C-N 3.32Å; M389-V391 PolarHBondContact O-N 3.44Å; M389-C392 WeakPolarHBondContact O-CB 3.29Å; M389-C392 PolarHBondContact O-N 3.24Å; M389-C392 VanDerWaalsContact O-N 3.14Å; M389-C392 HydrophobicContact SD-CB 4.24Å; M389-T393 HydrophobicContact CG-CG2 4.12Å; M389-T393 WeakPolarHBondContact O-CB 3.35Å; M389-T393 WeakPolarHBondContact O-CG2 3.43Å; M389-T393 PolarHBondContact O-N 2.92Å; M389-T393 PolarHBondContact O-OG1 3.34Å; M389-T393 HydrophobicContact SD-CG2 4.19Å; M389-F411 HydrophobicContact CE-CE2 3.92Å; M389-L422 HydrophobicContact CB-CD2 3.98Å; M389-L422 HydrophobicContact CG-CD2 4.4Å; M389-L425 HydrophobicContact CB-CD2 3.88Å; M389-L425 HydrophobicContact CG-CD2 3.72Å; M389-L426 HydrophobicContact SD-CD1 4.44Å; M389-L426 HydrophobicContact SD-CD2 3.97Å; M389-L426 HydrophobicContact SD-CG 4.23Å; M389-T517 HydrophobicContact CE-CG2 4.05Å; M389-T517 HydrophobicContact SD-CG2 4.04Å
390	E	94.1	Very high	93.2	Very high	99 Å²	99	35.1 Å²	35.1	46%	0.463	18%	0.175	S	C	.	.	H	α-helix	trans	-57.7	-44.6	173.8	-70.7	170.3	165.8	0	0	111.5	L386 E387 T393 D394 L425	L386-E390 WeakPolarHBondContact O-CG 3.49Å; L386-E390 PolarHBondContact O-N 2.91Å; E387-E390 PolarHBondContact O-N 3.01Å; E390-T393 PolarHBondContact O-OG1 3.15Å; E390-D394 VanDerWaalsContact O-CB 3.27Å; E390-D394 WeakPolarHBondContact O-CB 3.25Å; E390-D394 PolarHBondContact O-N 3.25Å; E390-L425 HydrophobicContact CB-CD2 4.26Å; E390-L425 HydrophobicContact CG-CD1 4.42Å; E390-L425 HydrophobicContact CG-CD2 3.59Å
391	V	93.8	Very high	92.9	Very high	44 Å²	44	42.9 Å²	42.9	27%	0.267	20%	0.204	S	C	.	.	H	α-helix	trans	-64.1	-43.7	174.4	178.5	0	0	0	0	111.5	N319 L323 E387 M389 W395	N319-V391 HydrophobicContact CB-CG1 4.15Å; L323-V391 HydrophobicContact CD1-CG1 3.83Å; L323-V391 HydrophobicContact CD1-CG2 4.03Å; E387-V391 PolarHBondContact O-N 3.38Å; M389-V391 VanDerWaalsContact C-N 3.32Å; M389-V391 PolarHBondContact O-N 3.44Å; V391-W395 VanDerWaalsContact O-CB 3.29Å; V391-W395 WeakPolarHBondContact O-CB 3.16Å; V391-W395 PolarHBondContact O-N 2.94Å
392	C	95.9	Very high	92.6	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-62.7	-45	179	177.8	0	0	0	0	111.9	D381 A383 S388 M389 F396	D381-C392 HydrophobicContact CB-CB 4.35Å; A383-C392 HydrophobicContact CB-CB 3.79Å; S388-C392 WeakPolarHBondContact O-CB 3.37Å; S388-C392 PolarHBondContact O-N 2.84Å; M389-C392 WeakPolarHBondContact O-CB 3.29Å; M389-C392 PolarHBondContact O-N 3.24Å; M389-C392 VanDerWaalsContact O-N 3.14Å; M389-C392 HydrophobicContact SD-CB 4.24Å; C392-F396 WeakPolarHBondContact O-CB 3.48Å; C392-F396 PolarHBondContact O-N 3.15Å
393	T	96.3	Very high	92.3	Very high	8 Å²	8	50.8 Å²	50.8	5%	0.049	25%	0.248	C	C	.	.	H	α-helix	trans	-72.9	-40.4	-177.6	52.2	0	0	0	0	111.9	M389 E390 W395 F396 E397 L425 L426 T429	M389-T393 HydrophobicContact CG-CG2 4.12Å; M389-T393 WeakPolarHBondContact O-CB 3.35Å; M389-T393 WeakPolarHBondContact O-CG2 3.43Å; M389-T393 PolarHBondContact O-N 2.92Å; M389-T393 PolarHBondContact O-OG1 3.34Å; M389-T393 HydrophobicContact SD-CG2 4.19Å; E390-T393 PolarHBondContact O-OG1 3.15Å; T393-W395 VanDerWaalsContact C-N 3.33Å; T393-W395 PolarHBondContact O-N 2.9Å; T393-F396 PolarHBondContact O-N 3.04Å; T393-E397 VanDerWaalsContact O-CB 3.26Å; T393-E397 WeakPolarHBondContact O-CB 3.5Å; T393-E397 PolarHBondContact O-N 3.17Å; T393-L425 HydrophobicContact CG2-CD2 4.36Å; T393-L425 HydrophobicContact CG2-CG 4.09Å; T393-L426 HydrophobicContact CG2-CD2 3.93Å; T393-L426 HydrophobicContact CG2-CG 4.5Å; T393-T429 WeakPolarHBondContact CB-OG1 3.07Å; T393-T429 HydrophobicContact CG2-CG2 4.17Å; T393-T429 WeakPolarHBondContact CG2-OG1 3.3Å; T393-T429 WeakPolarHBondContact O-CG2 3.44Å
394	D	94.9	Very high	92.1	Very high	59 Å²	59	57.7 Å²	57.7	32%	0.316	29%	0.289	S	S	.	.	H	α-helix	trans	-60.6	-43.3	173.2	169.6	75	0	0	0	111.3	E390 K398	E390-D394 VanDerWaalsContact O-CB 3.27Å; E390-D394 WeakPolarHBondContact O-CB 3.25Å; E390-D394 PolarHBondContact O-N 3.25Å; D394-K398 WeakPolarHBondContact O-CB 3.48Å; D394-K398 WeakPolarHBondContact O-CD 3.18Å; D394-K398 VanDerWaalsContact O-CG 3.27Å; D394-K398 WeakPolarHBondContact O-CG 3.45Å; D394-K398 PolarHBondContact O-N 2.88Å; D394-K398 VanDerWaalsContact O-N 3.1Å; D394-K398 WeakPolarHBondContact OD1-CE 3.18Å; D394-K398 IonicContact OD1-NZ 3.59Å; D394-K398 PolarHBondContact OD1-NZ 2.78Å; D394-K398 WeakPolarHBondContact OD2-CE 3.49Å; D394-K398 IonicContact OD2-NZ 3.44Å; D394-K398 PolarHBondContact OD2-NZ 3.44Å
395	W	94.8	Very high	92.2	Very high	23 Å²	23	57.1 Å²	57.1	9%	0.087	29%	0.288	C	S	.	.	H	α-helix	trans	-61.6	-50	173.9	168.7	71.9	0	0	0	111.9	C368 L370 H379 D381 V391 T393 K398 N399 L515	C368-W395 VanDerWaalsContact C-CH2 3.45Å; C368-W395 VanDerWaalsContact CA-CZ2 3.49Å; C368-W395 HydrophobicContact CB-CD2 3.63Å; C368-W395 HydrophobicContact CB-CE3 4.15Å; C368-W395 HydrophobicContact CB-CG 3.88Å; C368-W395 HydrophobicContact CB-CH2 4.45Å; C368-W395 HydrophobicContact CB-CZ2 3.99Å; C368-W395 WeakPolarHBondContact O-CZ2 3.24Å; L370-W395 HydrophobicContact CD2-CH2 3.96Å; L370-W395 HydrophobicContact CD2-CZ2 3.54Å; L370-W395 HydrophobicContact CG-CZ2 3.79Å; H379-W395 HydrophobicContact CB-CH2 3.58Å; H379-W395 HydrophobicContact CB-CZ3 3.74Å; H379-W395 AromaticContact ND1-CH2 3.91Å; D381-W395 HydrophobicContact CB-CZ3 4.48Å; V391-W395 VanDerWaalsContact O-CB 3.29Å; V391-W395 WeakPolarHBondContact O-CB 3.16Å; V391-W395 PolarHBondContact O-N 2.94Å; T393-W395 VanDerWaalsContact C-N 3.33Å; T393-W395 PolarHBondContact O-N 2.9Å; W395-K398 PolarHBondContact O-N 2.87Å; W395-N399 PolarHBondContact NE1-ND2 2.74Å; W395-N399 PolarHBondContact O-N 3.05Å; W395-N399 VanDerWaalsContact O-N 3.16Å; W395-N399 PolarHBondContact O-ND2 3.41Å; W395-L515 HydrophobicContact CZ3-CD1 4.44Å
396	F	95.8	Very high	92.5	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-60.6	-49.4	-179.4	-179.2	-111.7	0	0	0	111.4	H379 C392 T393 K398 N399 V400 T429 F432 E513 L515	H379-F396 HydrophobicContact CB-CD2 3.86Å; H379-F396 HydrophobicContact CB-CE2 4.11Å; H379-F396 AromaticContact CD2-CE2 3.69Å; H379-F396 AromaticContact CE1-CD2 3.95Å; H379-F396 AromaticContact CE1-CE2 4Å; H379-F396 AromaticContact CG-CD2 3.59Å; H379-F396 AromaticContact CG-CE2 3.68Å; H379-F396 AromaticContact ND1-CD2 3.5Å; H379-F396 WeakPolarHBondContact ND1-CD2 3.43Å; H379-F396 AromaticContact ND1-CE2 3.88Å; H379-F396 AromaticContact NE2-CE2 3.9Å; C392-F396 WeakPolarHBondContact O-CB 3.48Å; C392-F396 PolarHBondContact O-N 3.15Å; T393-F396 PolarHBondContact O-N 3.04Å; F396-K398 VanDerWaalsContact C-N 3.3Å; F396-K398 PolarHBondContact O-N 3.48Å; F396-N399 PolarHBondContact O-N 3.47Å; F396-V400 HydrophobicContact CD1-CG2 4.25Å; F396-V400 HydrophobicContact CD2-CG1 4.01Å; F396-V400 HydrophobicContact CE1-CG1 4.3Å; F396-V400 HydrophobicContact CE1-CG2 4.02Å; F396-V400 HydrophobicContact CE2-CG1 3.55Å; F396-V400 HydrophobicContact CZ-CG1 3.73Å; F396-V400 HydrophobicContact CZ-CG2 4.26Å; F396-V400 WeakPolarHBondContact O-CG2 3.48Å; F396-V400 PolarHBondContact O-N 3.36Å; F396-T429 HydrophobicContact CD1-CG2 4.02Å; F396-F432 AromaticContact CE1-CE1 3.7Å; F396-F432 HydrophobicContact CE1-CE1 3.7Å; F396-F432 AromaticContact CE1-CZ 3.98Å; F396-F432 HydrophobicContact CE1-CZ 3.98Å; F396-F432 HydrophobicContact CZ-CE1 4.14Å; F396-E513 HydrophobicContact CE2-CB 4.5Å; F396-E513 HydrophobicContact CZ-CB 4.43Å; F396-L515 HydrophobicContact CB-CD2 4.25Å; F396-L515 HydrophobicContact CD1-CD2 3.88Å; F396-L515 HydrophobicContact CD2-CB 3.99Å; F396-L515 HydrophobicContact CD2-CD1 4.13Å; F396-L515 HydrophobicContact CD2-CD2 4.26Å; F396-L515 HydrophobicContact CD2-CG 4.35Å; F396-L515 HydrophobicContact CE1-CB 4.33Å; F396-L515 HydrophobicContact CE1-CD2 4.27Å; F396-L515 HydrophobicContact CE2-CB 3.73Å; F396-L515 HydrophobicContact CG-CB 4.41Å; F396-L515 HydrophobicContact CG-CD1 4.35Å; F396-L515 HydrophobicContact CG-CD2 3.87Å; F396-L515 HydrophobicContact CG-CG 4.44Å; F396-L515 HydrophobicContact CZ-CB 3.91Å
397	E	94.8	Very high	92.9	Very high	84 Å²	84	55.3 Å²	55.3	39%	0.393	28%	0.278	S	S	.	.	H	α-helix	trans	-54.9	-45	178.4	-172.6	-174.9	168.6	0	0	111.5	T393 N399 V400 R401 T429	T393-E397 VanDerWaalsContact O-CB 3.26Å; T393-E397 WeakPolarHBondContact O-CB 3.5Å; T393-E397 PolarHBondContact O-N 3.17Å; E397-N399 VanDerWaalsContact C-N 3.31Å; E397-N399 PolarHBondContact O-N 3.18Å; E397-V400 PolarHBondContact O-N 3.23Å; E397-R401 WeakPolarHBondContact O-CA 3.41Å; E397-R401 WeakPolarHBondContact O-CB 3.25Å; E397-R401 PolarHBondContact O-N 3.05Å; E397-T429 HydrophobicContact CB-CG2 4.03Å
398	K	92.1	Very high	93.3	Very high	114 Å²	114	51.5 Å²	51.5	50%	0.496	26%	0.261	S	S	.	.	H	α-helix	trans	-61.5	-37.4	176.3	-75.8	168.7	-179.2	162.6	0	113	D394 W395 F396	D394-K398 WeakPolarHBondContact O-CB 3.48Å; D394-K398 WeakPolarHBondContact O-CD 3.18Å; D394-K398 VanDerWaalsContact O-CG 3.27Å; D394-K398 WeakPolarHBondContact O-CG 3.45Å; D394-K398 PolarHBondContact O-N 2.88Å; D394-K398 VanDerWaalsContact O-N 3.1Å; D394-K398 WeakPolarHBondContact OD1-CE 3.18Å; D394-K398 IonicContact OD1-NZ 3.59Å; D394-K398 PolarHBondContact OD1-NZ 2.78Å; D394-K398 WeakPolarHBondContact OD2-CE 3.49Å; D394-K398 IonicContact OD2-NZ 3.44Å; D394-K398 PolarHBondContact OD2-NZ 3.44Å; W395-K398 PolarHBondContact O-N 2.87Å; F396-K398 VanDerWaalsContact C-N 3.3Å; F396-K398 PolarHBondContact O-N 3.48Å
399	N	90.8	Very high	93.7	Very high	49 Å²	49	50.7 Å²	50.7	26%	0.262	26%	0.255	S	S	.	.	H	α-helix	trans	-77	-26.3	-179.5	-76.6	-82.5	0	0	0	113.2	R377 W395 F396 E397	R377-N399 PolarHBondContact NH2-O 2.98Å; W395-N399 PolarHBondContact NE1-ND2 2.74Å; W395-N399 PolarHBondContact O-N 3.05Å; W395-N399 VanDerWaalsContact O-N 3.16Å; W395-N399 PolarHBondContact O-ND2 3.41Å; F396-N399 PolarHBondContact O-N 3.47Å; E397-N399 VanDerWaalsContact C-N 3.31Å; E397-N399 PolarHBondContact O-N 3.18Å
400	V	93.4	Very high	93.8	Very high	4 Å²	4	50.7 Å²	50.7	2%	0.024	26%	0.255	C	S	.	.	H	α-helix	trans	-106.5	-0.5	-177.2	-52.3	0	0	0	0	114	F396 E397 D402 S403 K407 E513	F396-V400 HydrophobicContact CD1-CG2 4.25Å; F396-V400 HydrophobicContact CD2-CG1 4.01Å; F396-V400 HydrophobicContact CE1-CG1 4.3Å; F396-V400 HydrophobicContact CE1-CG2 4.02Å; F396-V400 HydrophobicContact CE2-CG1 3.55Å; F396-V400 HydrophobicContact CZ-CG1 3.73Å; F396-V400 HydrophobicContact CZ-CG2 4.26Å; F396-V400 WeakPolarHBondContact O-CG2 3.48Å; F396-V400 PolarHBondContact O-N 3.36Å; E397-V400 PolarHBondContact O-N 3.23Å; V400-D402 VanDerWaalsContact C-N 3.32Å; V400-D402 PolarHBondContact O-N 3.17Å; V400-S403 WeakPolarHBondContact O-CB 3.41Å; V400-S403 PolarHBondContact O-N 3.08Å; V400-K407 HydrophobicContact CG2-CD 4.21Å; V400-E513 HydrophobicContact CB-CG 4.49Å; V400-E513 HydrophobicContact CG1-CB 3.96Å; V400-E513 HydrophobicContact CG1-CG 3.88Å
401	R	89.8	Confident	94	Very high	165 Å²	165	46 Å²	46	62%	0.623	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.2	-49.1	-177.2	179.9	179.6	-67.5	-149.2	-4.5	113.3	E397	E397-R401 WeakPolarHBondContact O-CA 3.41Å; E397-R401 WeakPolarHBondContact O-CB 3.25Å; E397-R401 PolarHBondContact O-N 3.05Å
402	D	88.1	Confident	94	Very high	152 Å²	152	43.9 Å²	43.9	81%	0.813	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.3	7.3	-177.8	-54.9	-45.1	0	0	0	112.1	V400	V400-D402 VanDerWaalsContact C-N 3.32Å; V400-D402 PolarHBondContact O-N 3.17Å
403	S	88.1	Confident	93.6	Very high	22 Å²	22	46 Å²	46	15%	0.154	23%	0.228	C	C	.	.			trans	-87.3	120.2	-176.9	-172.8	0	0	0	0	110.8	V400 N405 K407 E513	V400-S403 WeakPolarHBondContact O-CB 3.41Å; V400-S403 PolarHBondContact O-N 3.08Å; S403-N405 VanDerWaalsContact OG-CB 3.3Å; S403-N405 WeakPolarHBondContact OG-CB 3.16Å; S403-N405 PolarHBondContact OG-N 3.44Å; S403-N405 PolarHBondContact OG-ND2 3.13Å; S403-K407 PolarHBondContact O-NZ 2.96Å; S403-E513 PolarHBondContact OG-OE1 2.9Å
404	V	89.6	Confident	92.6	Very high	145 Å²	145	47.7 Å²	47.7	88%	0.879	24%	0.238	S	C	*	.			trans	-81.5	-5.3	171.9	-61.7	0	0	0	0	112.8
405	N	92.1	Very high	91.5	Very high	33 Å²	33	46.3 Å²	46.3	18%	0.176	24%	0.238	C	C	.	.	S	Bend	trans	-66.5	148.5	-178.6	-67.5	-26.3	0	0	0	111.5	S403 K407 Q511 E513	S403-N405 VanDerWaalsContact OG-CB 3.3Å; S403-N405 WeakPolarHBondContact OG-CB 3.16Å; S403-N405 PolarHBondContact OG-N 3.44Å; S403-N405 PolarHBondContact OG-ND2 3.13Å; N405-K407 PolarHBondContact O-N 2.95Å; N405-K407 PolarHBondContact O-NZ 2.92Å; N405-Q511 WeakPolarHBondContact CB-O 3.48Å; N405-Q511 PolarHBondContact OD1-O 3.47Å; N405-E513 HydrophobicContact CB-CG 3.83Å; N405-E513 PolarHBondContact ND2-OE1 3.11Å
406	P	95.1	Very high	90.1	Very high	33 Å²	33	53.1 Å²	53.1	21%	0.214	27%	0.27	C	S	.	.			trans	-58.1	137.8	172.2	-22.5	31.9	0	0	0	112	I408 D433 F502 L512 E513	P406-I408 HydrophobicContact CB-CD1 4.39Å; P406-D433 WeakPolarHBondContact CA-OD2 3.16Å; P406-D433 HydrophobicContact CB-CB 4.29Å; P406-F502 HydrophobicContact CB-CD1 4.08Å; P406-F502 HydrophobicContact CB-CE1 3.72Å; P406-F502 HydrophobicContact CB-CZ 4.1Å; P406-F502 HydrophobicContact CG-CD1 3.94Å; P406-F502 HydrophobicContact CG-CE1 3.96Å; P406-L512 HydrophobicContact CB-CD2 3.85Å; P406-L512 HydrophobicContact CG-CD2 3.81Å; P406-E513 PolarHBondContact O-N 2.85Å
407	K	96.5	Very high	88.9	Confident	30 Å²	30	57.5 Å²	57.5	13%	0.13	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	121	-176.8	-66.4	160	-168.7	65.3	0	109.7	V400 S403 N405 C430 F432 D433 M434 E513	V400-K407 HydrophobicContact CG2-CD 4.21Å; S403-K407 PolarHBondContact O-NZ 2.96Å; N405-K407 PolarHBondContact O-N 2.95Å; N405-K407 PolarHBondContact O-NZ 2.92Å; K407-C430 HydrophobicContact CD-CB 4.15Å; K407-F432 HydrophobicContact CB-CD1 4.08Å; K407-F432 CarbonylContact O-C 3.59Å; K407-F432 WeakPolarHBondContact O-CA 3.21Å; K407-D433 PolarHBondContact N-OD2 2.81Å; K407-D433 PolarHBondContact O-N 3.23Å; K407-M434 PolarHBondContact O-N 3.09Å; K407-E513 CarbonylContact C-O 3.58Å; K407-E513 WeakPolarHBondContact CA-O 3.33Å; K407-E513 HydrophobicContact CG-CB 4.1Å; K407-E513 HydrophobicContact CG-CG 4.36Å
408	I	98	Very high	88.2	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	133.5	-178.6	-58.3	96.1	0	0	0	109.3	P406 I410 M434 I498 F502 L512 E513 V514 L515	P406-I408 HydrophobicContact CB-CD1 4.39Å; I408-I410 HydrophobicContact CG2-CG1 4.44Å; I408-M434 WeakPolarHBondContact CA-O 3.37Å; I408-M434 HydrophobicContact CG1-CB 4.1Å; I408-M434 HydrophobicContact CG2-CB 4.27Å; I408-M434 HydrophobicContact CG2-CG 4.38Å; I408-I498 HydrophobicContact CG2-CD1 3.74Å; I408-I498 HydrophobicContact CG2-CG1 4.09Å; I408-F502 HydrophobicContact CD1-CE2 4.3Å; I408-F502 HydrophobicContact CG1-CE2 4.14Å; I408-L512 HydrophobicContact CD1-CB 3.92Å; I408-L512 HydrophobicContact CD1-CD1 4.24Å; I408-L512 HydrophobicContact CD1-CD2 4.06Å; I408-L512 HydrophobicContact CD1-CG 4.3Å; I408-E513 PolarHBondContact N-O 3.04Å; I408-V514 HydrophobicContact CB-CG1 4.44Å; I408-V514 HydrophobicContact CB-CG2 4.35Å; I408-V514 HydrophobicContact CD1-CG2 4.23Å; I408-V514 HydrophobicContact CG2-CG1 4.46Å; I408-V514 CarbonylContact O-C 3.57Å; I408-V514 WeakPolarHBondContact O-CA 3.5Å; I408-L515 PolarHBondContact O-N 3.34Å
409	L	98.6	Very high	87.9	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	130.6	169.4	176.9	59.6	0	0	0	109.4	F411 L426 F432 M434 V435 C436 L515 T517	L409-F411 HydrophobicContact CD1-CB 4.1Å; L409-F411 HydrophobicContact CD2-CB 4.2Å; L409-F411 HydrophobicContact CG-CB 3.94Å; L409-L426 HydrophobicContact CD1-CD2 4.09Å; L409-L426 HydrophobicContact CD2-CB 4.24Å; L409-L426 HydrophobicContact CD2-CD1 4.13Å; L409-L426 HydrophobicContact CD2-CD2 4.25Å; L409-L426 HydrophobicContact CD2-CG 4.44Å; L409-F432 HydrophobicContact CB-CD1 3.73Å; L409-F432 HydrophobicContact CB-CD2 4.33Å; L409-F432 HydrophobicContact CB-CE1 3.68Å; L409-F432 HydrophobicContact CB-CE2 4.28Å; L409-F432 HydrophobicContact CB-CG 4.07Å; L409-F432 HydrophobicContact CB-CZ 3.97Å; L409-F432 HydrophobicContact CD1-CZ 4.43Å; L409-F432 HydrophobicContact CD2-CD2 4.43Å; L409-F432 HydrophobicContact CD2-CE2 4.07Å; L409-F432 HydrophobicContact CD2-CZ 4.28Å; L409-F432 HydrophobicContact CG-CZ 4.46Å; L409-M434 PolarHBondContact N-O 2.59Å; L409-V435 HydrophobicContact CB-CB 4.41Å; L409-V435 HydrophobicContact CB-CG1 4.17Å; L409-V435 HydrophobicContact CB-CG2 4.05Å; L409-V435 HydrophobicContact CD2-CG1 3.86Å; L409-V435 HydrophobicContact CD2-CG2 4.33Å; L409-V435 HydrophobicContact CG-CG1 4.15Å; L409-V435 CarbonylContact O-C 3.58Å; L409-V435 WeakPolarHBondContact O-CA 3.48Å; L409-C436 PolarHBondContact O-N 3.41Å; L409-L515 HydrophobicContact CD1-CB 4.29Å; L409-L515 HydrophobicContact CD1-CD2 4Å; L409-L515 HydrophobicContact CD1-CG 4.06Å; L409-T517 HydrophobicContact CD1-CG2 4.06Å
410	I	98.4	Very high	88	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	114	164.6	-59.3	-178.8	0	0	0	106.6	I408 C436 V438 L491 F495 I498 V514 L515 V516 T517 L522	I408-I410 HydrophobicContact CG2-CG1 4.44Å; I410-C436 WeakPolarHBondContact CA-O 3.47Å; I410-C436 HydrophobicContact CG1-CB 4.16Å; I410-V438 HydrophobicContact CG2-CG2 3.56Å; I410-L491 HydrophobicContact CD1-CD1 4.47Å; I410-L491 HydrophobicContact CG2-CD1 3.61Å; I410-F495 HydrophobicContact CD1-CD1 4.21Å; I410-F495 HydrophobicContact CD1-CE1 3.55Å; I410-F495 HydrophobicContact CD1-CE2 4.26Å; I410-F495 HydrophobicContact CD1-CZ 3.58Å; I410-I498 HydrophobicContact CD1-CD1 3.93Å; I410-I498 HydrophobicContact CG1-CD1 4.35Å; I410-V514 HydrophobicContact CD1-CG1 3.8Å; I410-V514 HydrophobicContact CG1-CG1 4.11Å; I410-L515 PolarHBondContact N-O 3.28Å; I410-V516 HydrophobicContact CB-CG1 4.33Å; I410-V516 HydrophobicContact CB-CG2 4.26Å; I410-V516 HydrophobicContact CD1-CG2 4.27Å; I410-V516 HydrophobicContact CG2-CG1 4.25Å; I410-V516 WeakPolarHBondContact O-CA 3.41Å; I410-T517 PolarHBondContact O-N 3.08Å; I410-T517 VanDerWaalsContact O-N 3.13Å; I410-L522 HydrophobicContact CG2-CD1 4.48Å; I410-L522 HydrophobicContact CG2-CD2 4.38Å
411	F	97.5	Very high	88	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	136.2	-171.1	-175.4	-99.5	0	0	0	112.7	M389 L409 R413 L422 L423 L426 C436 F437 V438 I468 T517	M389-F411 HydrophobicContact CE-CE2 3.92Å; L409-F411 HydrophobicContact CD1-CB 4.1Å; L409-F411 HydrophobicContact CD2-CB 4.2Å; L409-F411 HydrophobicContact CG-CB 3.94Å; F411-R413 HydrophobicContact CE1-CB 4.37Å; F411-R413 HydrophobicContact CZ-CB 4.14Å; F411-L422 HydrophobicContact CZ-CB 4.4Å; F411-L422 HydrophobicContact CZ-CD1 4.35Å; F411-L423 HydrophobicContact CD1-CD2 3.94Å; F411-L423 HydrophobicContact CE1-CD2 3.71Å; F411-L423 HydrophobicContact CZ-CD2 4.4Å; F411-L426 HydrophobicContact CD2-CD1 3.64Å; F411-L426 HydrophobicContact CE2-CD1 3.64Å; F411-L426 HydrophobicContact CG-CD1 4.19Å; F411-L426 HydrophobicContact CZ-CD1 4.21Å; F411-C436 PolarHBondContact N-O 2.92Å; F411-F437 HydrophobicContact CB-CD1 4.43Å; F411-F437 HydrophobicContact CB-CE1 4.36Å; F411-F437 HydrophobicContact CD1-CD1 4.16Å; F411-F437 AromaticContact CD1-CE1 3.96Å; F411-F437 HydrophobicContact CD1-CE1 3.96Å; F411-V438 PolarHBondContact O-N 2.97Å; F411-I468 HydrophobicContact CD1-CG2 3.93Å; F411-I468 HydrophobicContact CE1-CG2 3.89Å; F411-T517 HydrophobicContact CD2-CG2 4Å; F411-T517 WeakPolarHBondContact CD2-O 3.46Å
412	N	92.9	Very high	88.3	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	29%	0.286	C	S	.	.			trans	-154.4	152.4	164.2	-166.6	19.2	0	0	0	109.5	V438 N440 G518 S519 L522	N412-V438 WeakPolarHBondContact CB-O 3.34Å; N412-V438 PolarHBondContact ND2-O 3.49Å; N412-N440 PolarHBondContact ND2-OD1 3.43Å; N412-G518 CarbonylContact O-C 3.54Å; N412-G518 WeakPolarHBondContact O-CA 3.26Å; N412-G518 VanDerWaalsContact O-O 3.08Å; N412-S519 PolarHBondContact O-N 3.22Å; N412-L522 HydrophobicContact CB-CD1 4.17Å; N412-L522 HydrophobicContact CB-CD2 4.05Å
413	R	88.1	Confident	88.6	Confident	46 Å²	46	39.7 Å²	39.7	17%	0.174	25%	0.247	C	C	.	.			trans	-131.7	142.3	174.5	-164.3	-155.6	178.3	-153.2	-7	110.3	H384 F411 S417 G418 L422 R464 I468	H384-R413 PolarHBondContact O-NE 3.46Å; H384-R413 VanDerWaalsContact O-NE 3.07Å; F411-R413 HydrophobicContact CE1-CB 4.37Å; F411-R413 HydrophobicContact CZ-CB 4.14Å; R413-S417 PolarHBondContact NH1-O 3.08Å; R413-G418 PolarHBondContact NH1-O 2.98Å; R413-L422 HydrophobicContact CG-CD1 4.44Å; R413-R464 WeakPolarHBondContact O-CD 3.32Å; R413-I468 HydrophobicContact CB-CD1 4.49Å
414	T	75.6	Confident	89	Confident	42 Å²	42	43.2 Å²	43.2	26%	0.258	26%	0.26	S	S	.	.	S	Bend	trans	-77	142.2	168.3	50.8	0	0	0	0	111.1	M453	T414-M453 HydrophobicContact CG2-CE 4.36Å
415	G	72.5	Confident	89.3	Confident	30 Å²	30	38.2 Å²	38.2	31%	0.309	23%	0.228	S	C	.	.	S	Bend	trans	106.4	162.6	-178.5	0	0	0	0	0	113.6	R464	G415-R464 VanDerWaalsContact O-CD 3.24Å; G415-R464 WeakPolarHBondContact O-CD 3.39Å; G415-R464 PolarHBondContact O-NE 3.34Å; G415-R464 VanDerWaalsContact O-NE 3.14Å
416	E	64.8	Low	89.5	Confident	166 Å²	166	36.6 Å²	36.6	78%	0.776	22%	0.22	S	C	*	.	S	Bend	trans	-94.5	-15	-171.2	-62.7	-174.9	168.5	0	0	114.2
417	S	70.2	Confident	89.5	Confident	92 Å²	92	35.4 Å²	35.4	64%	0.643	21%	0.211	S	C	*	.	S	Bend	trans	-146.9	167.9	-173.9	67.9	0	0	0	0	111.8	R413	R413-S417 PolarHBondContact NH1-O 3.08Å
418	G	79.4	Confident	89.4	Confident	44 Å²	44	41.2 Å²	41.2	45%	0.454	23%	0.232	S	C	.	.			trans	84.3	11.6	172.8	0	0	0	0	0	115.7	R413	R413-G418 PolarHBondContact NH1-O 2.98Å
419	F	87.3	Confident	89.1	Confident	22 Å²	22	41.7 Å²	41.7	10%	0.096	24%	0.235	C	C	.	.			trans	-82.8	-22.2	174.2	48.8	-99	0	0	0	112.9	L422 L423 I467 I468 A471	F419-L422 WeakPolarHBondContact O-CA 3.23Å; F419-L422 VanDerWaalsContact O-CB 3.3Å; F419-L422 WeakPolarHBondContact O-CB 3.49Å; F419-L422 PolarHBondContact O-N 3.04Å; F419-L423 HydrophobicContact CD2-CD1 4.04Å; F419-L423 PolarHBondContact O-N 2.88Å; F419-I467 HydrophobicContact CE1-CG2 4.33Å; F419-I467 HydrophobicContact CZ-CG2 3.77Å; F419-I468 HydrophobicContact CD1-CG1 4.12Å; F419-I468 HydrophobicContact CD2-CG1 4.23Å; F419-I468 HydrophobicContact CE1-CG1 4.37Å; F419-I468 HydrophobicContact CE2-CG1 4.48Å; F419-I468 HydrophobicContact CG-CG1 4.06Å; F419-A471 HydrophobicContact CD2-CB 4.36Å; F419-A471 HydrophobicContact CE2-CB 3.68Å
420	A	92.1	Very high	88.8	Confident	59 Å²	59	42.8 Å²	42.8	49%	0.488	24%	0.243	S	C	.	.	H	α-helix	trans	-56.8	-43.6	-176.8	0	0	0	0	0	114.3	L422 L423 K424	A420-L422 VanDerWaalsContact C-N 3.25Å; A420-L422 PolarHBondContact O-N 3.08Å; A420-L423 PolarHBondContact O-N 3.24Å; A420-K424 PolarHBondContact O-N 2.88Å
421	P	93.6	Very high	88.5	Confident	65 Å²	65	48.4 Å²	48.4	42%	0.422	27%	0.273	S	S	.	.	H	α-helix	trans	-60.8	-33.8	173.2	-24.7	35.8	0	0	0	113.4	L386 L425	L386-P421 HydrophobicContact CD1-CB 4.13Å; L386-P421 HydrophobicContact CD2-CB 4.45Å; P421-L425 PolarHBondContact O-N 2.82Å; P421-L425 VanDerWaalsContact O-N 3.15Å
422	L	95.1	Very high	88.5	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.01	28%	0.276	C	S	.	.	H	α-helix	trans	-70	-44.3	178	-47.7	-176.9	0	0	0	111	L386 M389 F411 R413 F419 A420 K424 L425 L426	L386-L422 VanDerWaalsContact CA-CD2 3.5Å; L386-L422 HydrophobicContact CB-CD2 4.16Å; L386-L422 HydrophobicContact CD1-CD2 4.24Å; M389-L422 HydrophobicContact CB-CD2 3.98Å; M389-L422 HydrophobicContact CG-CD2 4.4Å; F411-L422 HydrophobicContact CZ-CB 4.4Å; F411-L422 HydrophobicContact CZ-CD1 4.35Å; R413-L422 HydrophobicContact CG-CD1 4.44Å; F419-L422 WeakPolarHBondContact O-CA 3.23Å; F419-L422 VanDerWaalsContact O-CB 3.3Å; F419-L422 WeakPolarHBondContact O-CB 3.49Å; F419-L422 PolarHBondContact O-N 3.04Å; A420-L422 VanDerWaalsContact C-N 3.25Å; A420-L422 PolarHBondContact O-N 3.08Å; L422-K424 VanDerWaalsContact C-N 3.3Å; L422-K424 PolarHBondContact O-N 3.5Å; L422-L425 PolarHBondContact O-N 3.23Å; L422-L426 WeakPolarHBondContact O-CG 3.27Å; L422-L426 PolarHBondContact O-N 3.14Å
423	L	95.9	Very high	88.6	Confident	2 Å²	2	52.3 Å²	52.3	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-60.4	-41.9	176.3	-63.5	-176.1	0	0	0	111.2	F411 F419 A420 L425 L426 N427 F437 I468 A471 W472 L475	F411-L423 HydrophobicContact CD1-CD2 3.94Å; F411-L423 HydrophobicContact CE1-CD2 3.71Å; F411-L423 HydrophobicContact CZ-CD2 4.4Å; F419-L423 HydrophobicContact CD2-CD1 4.04Å; F419-L423 PolarHBondContact O-N 2.88Å; A420-L423 PolarHBondContact O-N 3.24Å; L423-L425 VanDerWaalsContact C-N 3.31Å; L423-L425 PolarHBondContact O-N 3.01Å; L423-L426 PolarHBondContact O-N 3.17Å; L423-N427 VanDerWaalsContact O-CB 3.29Å; L423-N427 WeakPolarHBondContact O-CB 3.25Å; L423-N427 PolarHBondContact O-N 2.95Å; L423-F437 HydrophobicContact CD2-CE1 4.1Å; L423-I468 HydrophobicContact CD1-CG2 4.1Å; L423-I468 HydrophobicContact CD2-CG2 3.92Å; L423-I468 HydrophobicContact CG-CG2 4.5Å; L423-A471 HydrophobicContact CD1-CB 3.96Å; L423-W472 HydrophobicContact CB-CE3 4.19Å; L423-W472 HydrophobicContact CD1-CB 4.32Å; L423-W472 HydrophobicContact CD2-CE3 4.09Å; L423-L475 HydrophobicContact CB-CD2 4.04Å
424	K	95.8	Very high	89.1	Confident	96 Å²	96	50.2 Å²	50.2	42%	0.417	29%	0.285	S	S	.	.	H	α-helix	trans	-60.2	-41	176	-173.2	172.1	-176.7	173.6	0	112.5	A420 L422 R428 L475	A420-K424 PolarHBondContact O-N 2.88Å; L422-K424 VanDerWaalsContact C-N 3.3Å; L422-K424 PolarHBondContact O-N 3.5Å; K424-R428 WeakPolarHBondContact O-CD 3.34Å; K424-R428 VanDerWaalsContact O-CG 3.26Å; K424-R428 WeakPolarHBondContact O-CG 3.27Å; K424-R428 PolarHBondContact O-N 3.18Å; K424-L475 HydrophobicContact CB-CD2 4.49Å
425	L	95.8	Very high	90.2	Very high	40 Å²	40	48.2 Å²	48.2	21%	0.209	27%	0.273	C	S	.	.	H	α-helix	trans	-68.3	-46.9	177.2	-177.4	63	0	0	0	111.5	L386 M389 E390 T393 P421 L422 L423 N427 R428 T429	L386-L425 HydrophobicContact CD1-CD2 4.2Å; M389-L425 HydrophobicContact CB-CD2 3.88Å; M389-L425 HydrophobicContact CG-CD2 3.72Å; E390-L425 HydrophobicContact CB-CD2 4.26Å; E390-L425 HydrophobicContact CG-CD1 4.42Å; E390-L425 HydrophobicContact CG-CD2 3.59Å; T393-L425 HydrophobicContact CG2-CD2 4.36Å; T393-L425 HydrophobicContact CG2-CG 4.09Å; P421-L425 PolarHBondContact O-N 2.82Å; P421-L425 VanDerWaalsContact O-N 3.15Å; L422-L425 PolarHBondContact O-N 3.23Å; L423-L425 VanDerWaalsContact C-N 3.31Å; L423-L425 PolarHBondContact O-N 3.01Å; L425-N427 PolarHBondContact O-N 3.07Å; L425-R428 PolarHBondContact O-N 3.34Å; L425-R428 VanDerWaalsContact O-N 3.14Å; L425-T429 PolarHBondContact O-N 2.99Å; L425-T429 VanDerWaalsContact O-N 3.14Å; L425-T429 PolarHBondContact O-OG1 2.98Å
426	L	96.4	Very high	91.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-58	-47.1	175.9	-72.9	162.2	0	0	0	111.5	M389 T393 L409 F411 L422 L423 R428 T429 F432 W472 L515 T517	M389-L426 HydrophobicContact SD-CD1 4.44Å; M389-L426 HydrophobicContact SD-CD2 3.97Å; M389-L426 HydrophobicContact SD-CG 4.23Å; T393-L426 HydrophobicContact CG2-CD2 3.93Å; T393-L426 HydrophobicContact CG2-CG 4.5Å; L409-L426 HydrophobicContact CD1-CD2 4.09Å; L409-L426 HydrophobicContact CD2-CB 4.24Å; L409-L426 HydrophobicContact CD2-CD1 4.13Å; L409-L426 HydrophobicContact CD2-CD2 4.25Å; L409-L426 HydrophobicContact CD2-CG 4.44Å; F411-L426 HydrophobicContact CD2-CD1 3.64Å; F411-L426 HydrophobicContact CE2-CD1 3.64Å; F411-L426 HydrophobicContact CG-CD1 4.19Å; F411-L426 HydrophobicContact CZ-CD1 4.21Å; L422-L426 WeakPolarHBondContact O-CG 3.27Å; L422-L426 PolarHBondContact O-N 3.14Å; L423-L426 PolarHBondContact O-N 3.17Å; L426-R428 PolarHBondContact O-N 2.93Å; L426-R428 VanDerWaalsContact O-N 3.11Å; L426-T429 WeakPolarHBondContact O-CB 3.12Å; L426-T429 PolarHBondContact O-N 3.45Å; L426-T429 PolarHBondContact O-OG1 2.98Å; L426-F432 WeakPolarHBondContact O-CE2 3.09Å; L426-W472 HydrophobicContact CB-CZ3 4.34Å; L426-L515 HydrophobicContact CD2-CD2 4.17Å; L426-T517 HydrophobicContact CD2-CG2 4.16Å
427	N	95.1	Very high	93	Very high	7 Å²	7	39 Å²	39	4%	0.037	22%	0.222	C	C	.	.	H	α-helix	trans	-61.6	-21.8	179.4	-165.7	45.8	0	0	0	114	L423 L425 W472 L475 E479 K481	L423-N427 VanDerWaalsContact O-CB 3.29Å; L423-N427 WeakPolarHBondContact O-CB 3.25Å; L423-N427 PolarHBondContact O-N 2.95Å; L425-N427 PolarHBondContact O-N 3.07Å; N427-W472 HydrophobicContact CB-CH2 3.74Å; N427-W472 HydrophobicContact CB-CZ3 3.8Å; N427-W472 WeakPolarHBondContact OD1-CH2 3.45Å; N427-L475 HydrophobicContact CB-CD2 3.8Å; N427-E479 PolarHBondContact ND2-OE2 2.6Å; N427-K481 PolarHBondContact O-NZ 3.47Å
428	R	93.8	Very high	94.2	Very high	152 Å²	152	34.6 Å²	34.6	57%	0.574	19%	0.191	S	C	*	.	H	α-helix	trans	-94.3	-15.8	177.8	-70.2	171.1	-178.4	-150	-12.2	113.6	K424 L425 L426 E479	K424-R428 WeakPolarHBondContact O-CD 3.34Å; K424-R428 VanDerWaalsContact O-CG 3.26Å; K424-R428 WeakPolarHBondContact O-CG 3.27Å; K424-R428 PolarHBondContact O-N 3.18Å; L425-R428 PolarHBondContact O-N 3.34Å; L425-R428 VanDerWaalsContact O-N 3.14Å; L426-R428 PolarHBondContact O-N 2.93Å; L426-R428 VanDerWaalsContact O-N 3.11Å; R428-E479 IonicContact CZ-OE1 3.64Å; R428-E479 IonicContact NE-OE1 3.35Å; R428-E479 PolarHBondContact NE-OE1 3.39Å; R428-E479 IonicContact NH2-OE1 2.99Å; R428-E479 PolarHBondContact NH2-OE1 3.18Å
429	T	92.9	Very high	94.8	Very high	10 Å²	10	32.5 Å²	32.5	6%	0.061	17%	0.169	C	C	.	.	H	α-helix	trans	-67	-46.8	-174.7	-55.5	0	0	0	0	111.3	T393 F396 E397 L425 L426	T393-T429 WeakPolarHBondContact CB-OG1 3.07Å; T393-T429 HydrophobicContact CG2-CG2 4.17Å; T393-T429 WeakPolarHBondContact CG2-OG1 3.3Å; T393-T429 WeakPolarHBondContact O-CG2 3.44Å; F396-T429 HydrophobicContact CD1-CG2 4.02Å; E397-T429 HydrophobicContact CB-CG2 4.03Å; L425-T429 PolarHBondContact O-N 2.99Å; L425-T429 VanDerWaalsContact O-N 3.14Å; L425-T429 PolarHBondContact O-OG1 2.98Å; L426-T429 WeakPolarHBondContact O-CB 3.12Å; L426-T429 PolarHBondContact O-N 3.45Å; L426-T429 PolarHBondContact O-OG1 2.98Å
430	C	91.8	Very high	94.9	Very high	23 Å²	23	31.9 Å²	31.9	16%	0.155	17%	0.167	C	C	.	.			trans	-163.3	168.8	172.9	62.3	0	0	0	0	109.5	K407 F432	K407-C430 HydrophobicContact CD-CB 4.15Å; C430-F432 PolarHBondContact O-N 3.29Å
431	D	92.4	Very high	94.7	Very high	119 Å²	119	30 Å²	30	64%	0.636	15%	0.149	S	C	*	.			trans	-78.9	110.5	167.5	-63.8	-35.4	0	0	0	109	K481	D431-K481 IonicContact OD1-NZ 2.91Å; D431-K481 PolarHBondContact OD1-NZ 3.31Å
432	F	96.5	Very high	94.4	Very high	16 Å²	16	27 Å²	27	7%	0.07	13%	0.13	C	C	.	.			trans	-78.1	139.1	174.2	-69.2	-77.2	0	0	0	110.2	F396 K407 L409 L426 C430 V435 W472 V484 L515	F396-F432 AromaticContact CE1-CE1 3.7Å; F396-F432 HydrophobicContact CE1-CE1 3.7Å; F396-F432 AromaticContact CE1-CZ 3.98Å; F396-F432 HydrophobicContact CE1-CZ 3.98Å; F396-F432 HydrophobicContact CZ-CE1 4.14Å; K407-F432 HydrophobicContact CB-CD1 4.08Å; K407-F432 CarbonylContact O-C 3.59Å; K407-F432 WeakPolarHBondContact O-CA 3.21Å; L409-F432 HydrophobicContact CB-CD1 3.73Å; L409-F432 HydrophobicContact CB-CD2 4.33Å; L409-F432 HydrophobicContact CB-CE1 3.68Å; L409-F432 HydrophobicContact CB-CE2 4.28Å; L409-F432 HydrophobicContact CB-CG 4.07Å; L409-F432 HydrophobicContact CB-CZ 3.97Å; L409-F432 HydrophobicContact CD1-CZ 4.43Å; L409-F432 HydrophobicContact CD2-CD2 4.43Å; L409-F432 HydrophobicContact CD2-CE2 4.07Å; L409-F432 HydrophobicContact CD2-CZ 4.28Å; L409-F432 HydrophobicContact CG-CZ 4.46Å; L426-F432 WeakPolarHBondContact O-CE2 3.09Å; C430-F432 PolarHBondContact O-N 3.29Å; F432-V435 HydrophobicContact CB-CG2 3.73Å; F432-V435 HydrophobicContact CD2-CG2 4.3Å; F432-V435 HydrophobicContact CG-CG2 4.12Å; F432-W472 HydrophobicContact CD2-CH2 4.48Å; F432-V484 WeakPolarHBondContact O-CG2 3.49Å; F432-L515 HydrophobicContact CZ-CD2 4.41Å
433	D	96.4	Very high	93.9	Very high	66 Å²	66	28.4 Å²	28.4	35%	0.353	14%	0.138	S	C	.	.	S	Bend	trans	-79	-26	172.4	-64	-80.5	0	0	0	111.6	P406 K407 R501 F502	P406-D433 WeakPolarHBondContact CA-OD2 3.16Å; P406-D433 HydrophobicContact CB-CB 4.29Å; K407-D433 PolarHBondContact N-OD2 2.81Å; K407-D433 PolarHBondContact O-N 3.23Å; D433-R501 VanDerWaalsContact O-CZ 3.24Å; D433-R501 PolarHBondContact O-NH1 3.02Å; D433-R501 PolarHBondContact O-NH2 3.34Å; D433-F502 HydrophobicContact CB-CZ 4.01Å
434	M	97.5	Very high	93.1	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	135.3	-179.8	-178.7	165	171.3	0	0	111	K407 I408 L409 C436 Y488 A497 I498 F502	K407-M434 PolarHBondContact O-N 3.09Å; I408-M434 WeakPolarHBondContact CA-O 3.37Å; I408-M434 HydrophobicContact CG1-CB 4.1Å; I408-M434 HydrophobicContact CG2-CB 4.27Å; I408-M434 HydrophobicContact CG2-CG 4.38Å; L409-M434 PolarHBondContact N-O 2.59Å; M434-C436 WeakPolarHBondContact CE-SG 3.21Å; M434-Y488 HydrophobicContact CE-CE2 3.9Å; M434-Y488 WeakPolarHBondContact CE-OH 2.93Å; M434-A497 HydrophobicContact CE-CB 4.09Å; M434-I498 HydrophobicContact CE-CG1 3.8Å; M434-I498 HydrophobicContact SD-CG1 3.95Å; M434-F502 HydrophobicContact CB-CE2 4.33Å; M434-F502 HydrophobicContact SD-CE2 4.17Å
435	V	98.4	Very high	91.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	123.6	174.3	179.1	0	0	0	0	109.3	L409 F432 F437 W472 V484 G485 Q486	L409-V435 HydrophobicContact CB-CB 4.41Å; L409-V435 HydrophobicContact CB-CG1 4.17Å; L409-V435 HydrophobicContact CB-CG2 4.05Å; L409-V435 HydrophobicContact CD2-CG1 3.86Å; L409-V435 HydrophobicContact CD2-CG2 4.33Å; L409-V435 HydrophobicContact CG-CG1 4.15Å; L409-V435 CarbonylContact O-C 3.58Å; L409-V435 WeakPolarHBondContact O-CA 3.48Å; F432-V435 HydrophobicContact CB-CG2 3.73Å; F432-V435 HydrophobicContact CD2-CG2 4.3Å; F432-V435 HydrophobicContact CG-CG2 4.12Å; V435-F437 HydrophobicContact CB-CE2 4.49Å; V435-F437 HydrophobicContact CG1-CD2 4.28Å; V435-F437 HydrophobicContact CG1-CE1 4.04Å; V435-F437 HydrophobicContact CG1-CE2 3.59Å; V435-F437 HydrophobicContact CG1-CZ 3.44Å; V435-F437 VanDerWaalsContact CG1-CZ 3.44Å; V435-W472 HydrophobicContact CG2-CH2 4.24Å; V435-W472 HydrophobicContact CG2-CZ2 3.7Å; V435-V484 HydrophobicContact CB-CG2 4.49Å; V435-V484 HydrophobicContact CG2-CG2 3.86Å; V435-V484 PolarHBondContact N-O 3.33Å; V435-G485 CarbonylContact O-C 3.58Å; V435-G485 WeakPolarHBondContact O-CA 3.48Å; V435-Q486 PolarHBondContact O-N 2.72Å
436	C	98.6	Very high	90.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	112.9	-177.1	-51.4	0	0	0	0	109.5	L409 I410 F411 M434 Y488 A494	L409-C436 PolarHBondContact O-N 3.41Å; I410-C436 WeakPolarHBondContact CA-O 3.47Å; I410-C436 HydrophobicContact CG1-CB 4.16Å; F411-C436 PolarHBondContact N-O 2.92Å; M434-C436 WeakPolarHBondContact CE-SG 3.21Å; C436-Y488 HydrophobicContact CB-CD2 3.87Å; C436-Y488 HydrophobicContact CB-CE2 3.97Å; C436-A494 HydrophobicContact CB-CB 4.18Å
437	F	97.9	Very high	88.5	Confident	1 Å²	1	37.6 Å²	37.6	0%	0.004	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	119	169.4	-60.9	-71.9	0	0	0	109.1	F411 L423 V435 A465 I468 A469 W472 Q486 V487 Y488	F411-F437 HydrophobicContact CB-CD1 4.43Å; F411-F437 HydrophobicContact CB-CE1 4.36Å; F411-F437 HydrophobicContact CD1-CD1 4.16Å; F411-F437 AromaticContact CD1-CE1 3.96Å; F411-F437 HydrophobicContact CD1-CE1 3.96Å; L423-F437 HydrophobicContact CD2-CE1 4.1Å; V435-F437 HydrophobicContact CB-CE2 4.49Å; V435-F437 HydrophobicContact CG1-CD2 4.28Å; V435-F437 HydrophobicContact CG1-CE1 4.04Å; V435-F437 HydrophobicContact CG1-CE2 3.59Å; V435-F437 HydrophobicContact CG1-CZ 3.44Å; V435-F437 VanDerWaalsContact CG1-CZ 3.44Å; F437-A465 HydrophobicContact CB-CB 4.38Å; F437-I468 HydrophobicContact CD1-CB 4.27Å; F437-I468 HydrophobicContact CD1-CG2 3.54Å; F437-I468 HydrophobicContact CE1-CG2 3.54Å; F437-A469 HydrophobicContact CB-CB 4.07Å; F437-A469 HydrophobicContact CD2-CB 3.36Å; F437-A469 HydrophobicContact CE2-CB 3.97Å; F437-A469 HydrophobicContact CG-CB 3.81Å; F437-W472 HydrophobicContact CE1-CB 4.41Å; F437-W472 HydrophobicContact CE2-CB 3.69Å; F437-W472 AromaticContact CE2-CD1 3.95Å; F437-W472 HydrophobicContact CE2-CD2 4.36Å; F437-W472 AromaticContact CE2-CG 3.71Å; F437-W472 HydrophobicContact CE2-CG 3.71Å; F437-W472 HydrophobicContact CZ-CB 3.39Å; F437-W472 AromaticContact CZ-CD2 3.79Å; F437-W472 HydrophobicContact CZ-CD2 3.79Å; F437-W472 HydrophobicContact CZ-CE3 4.12Å; F437-W472 AromaticContact CZ-CG 3.46Å; F437-W472 HydrophobicContact CZ-CG 3.46Å; F437-W472 VanDerWaalsContact CZ-CG 3.46Å; F437-Q486 PolarHBondContact N-O 2.87Å; F437-V487 HydrophobicContact CB-CG2 4.33Å; F437-V487 VanDerWaalsContact O-CA 3.3Å; F437-V487 WeakPolarHBondContact O-CA 3.36Å; F437-Y488 PolarHBondContact O-N 3.32Å
438	V	95.1	Very high	87.2	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.21	C	C	.	.			trans	-135.2	148.9	-169.3	-79.1	0	0	0	0	111.1	I410 F411 N412 L491 A494 L522	I410-V438 HydrophobicContact CG2-CG2 3.56Å; F411-V438 PolarHBondContact O-N 2.97Å; N412-V438 WeakPolarHBondContact CB-O 3.34Å; N412-V438 PolarHBondContact ND2-O 3.49Å; V438-L491 HydrophobicContact CB-CD2 3.78Å; V438-L491 HydrophobicContact CG1-CD2 4.33Å; V438-L491 HydrophobicContact CG2-CD1 4Å; V438-L491 HydrophobicContact CG2-CD2 3.71Å; V438-A494 HydrophobicContact CG1-CB 3.73Å; V438-L522 HydrophobicContact CG2-CD1 3.63Å
439	P	92.4	Very high	86.1	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.189	C	C	.	.			trans	-67.9	164.3	163.5	30	-32.6	0	0	0	110.6	L441 Q461 L462 Y488 N489 L491	P439-L441 HydrophobicContact CB-CB 4.46Å; P439-L441 HydrophobicContact CB-CD1 4.02Å; P439-L441 HydrophobicContact CB-CG 4.08Å; P439-L441 HydrophobicContact CG-CB 4.28Å; P439-L441 HydrophobicContact CG-CD1 4.09Å; P439-L441 HydrophobicContact CG-CG 4.33Å; P439-L441 PolarHBondContact O-N 3.23Å; P439-Q461 HydrophobicContact CB-CB 3.61Å; P439-L462 HydrophobicContact CG-CD1 4.47Å; P439-Y488 WeakPolarHBondContact CD-O 3.44Å; P439-N489 WeakPolarHBondContact CG-O 3.44Å; P439-L491 WeakPolarHBondContact O-CD2 3.24Å
440	N	90.1	Very high	85	Confident	10 Å²	10	31.3 Å²	31.3	5%	0.053	19%	0.188	C	C	.	.	S	Bend	trans	-79.5	52.1	177.5	-64	-15.5	0	0	0	110.9	N412 Q461 H521 L522	N412-N440 PolarHBondContact ND2-OD1 3.43Å; N440-Q461 VanDerWaalsContact N-OE1 3.11Å; N440-H521 HydrophobicContact CB-CB 4.19Å; N440-L522 WeakPolarHBondContact OD1-CB 3.21Å
441	L	87.8	Confident	83.9	Confident	18 Å²	18	32.2 Å²	32.2	9%	0.094	19%	0.19	C	C	.	.			trans	-128.7	119.7	-173.2	-62.2	175.8	0	0	0	109.7	P439 T443 P458 L491	P439-L441 HydrophobicContact CB-CB 4.46Å; P439-L441 HydrophobicContact CB-CD1 4.02Å; P439-L441 HydrophobicContact CB-CG 4.08Å; P439-L441 HydrophobicContact CG-CB 4.28Å; P439-L441 HydrophobicContact CG-CD1 4.09Å; P439-L441 HydrophobicContact CG-CG 4.33Å; P439-L441 PolarHBondContact O-N 3.23Å; L441-T443 VanDerWaalsContact C-N 3.33Å; L441-P458 HydrophobicContact CD1-CB 3.66Å; L441-P458 HydrophobicContact CD1-CG 4.2Å; L441-L491 WeakPolarHBondContact O-CD2 3.35Å; L441-L491 PolarHBondContact O-N 2.74Å
442	A	86.7	Confident	82.7	Confident	4 Å²	4	28.9 Å²	28.9	3%	0.033	17%	0.174	C	C	.	.	S	Bend	trans	-57.9	-50.2	174	0	0	0	0	0	110.5	T490 L491 T492 A525 A529 L532	A442-T490 WeakPolarHBondContact O-CB 3.48Å; A442-L491 PolarHBondContact O-N 3.19Å; A442-T492 PolarHBondContact O-N 3.08Å; A442-T492 PolarHBondContact O-OG1 2.81Å; A442-A525 WeakPolarHBondContact CB-O 3.44Å; A442-A529 HydrophobicContact CB-CB 4.21Å; A442-L532 HydrophobicContact CB-CD1 4.43Å
443	T	85.6	Confident	81.2	Confident	30 Å²	30	30.1 Å²	30.1	18%	0.184	18%	0.18	C	C	.	.	S	Bend	trans	-138	174.5	177.2	51.8	0	0	0	0	110.4	L441 T445 N447 T490 L532	L441-T443 VanDerWaalsContact C-N 3.33Å; T443-T445 PolarHBondContact O-N 3.43Å; T443-T445 PolarHBondContact OG1-O 3.15Å; T443-N447 VanDerWaalsContact OG1-CG 3.23Å; T443-N447 PolarHBondContact OG1-ND2 3.09Å; T443-N447 PolarHBondContact OG1-OD1 2.83Å; T443-T490 VanDerWaalsContact C-CG2 3.42Å; T443-L532 HydrophobicContact CG2-CD1 4.02Å
444	S	77.9	Confident	79.4	Confident	90 Å²	90	30.9 Å²	30.9	63%	0.629	19%	0.187	S	C	*	.	S	Bend	trans	-62.4	-26.2	-177.3	-51.6	0	0	0	0	113.4	T490	S444-T490 VanDerWaalsContact N-CG2 3.33Å
445	T	68.1	Low	77.7	Confident	96 Å²	96	36.4 Å²	36.4	59%	0.589	21%	0.208	S	C	*	.	S	Bend	trans	-107.8	137.9	169.1	49.3	0	0	0	0	110	T443 N447	T443-T445 PolarHBondContact O-N 3.43Å; T443-T445 PolarHBondContact OG1-O 3.15Å; T445-N447 PolarHBondContact O-N 3.31Å; T445-N447 PolarHBondContact O-OD1 2.74Å
446	P	62.6	Low	76.5	Confident	73 Å²	73	38.1 Å²	38.1	47%	0.474	22%	0.215	S	C	.	.			trans	-61	127.9	173.6	-20.4	31.6	0	0	0	111.1	V452	P446-V452 HydrophobicContact CB-CG2 3.8Å; P446-V452 HydrophobicContact CG-CG2 4.21Å
447	N	61.7	Low	75.7	Confident	72 Å²	72	40.5 Å²	40.5	39%	0.385	23%	0.232	S	C	.	.	S	Bend	trans	-85.9	-19.6	-176	-59.4	-48.4	0	0	0	113.7	T443 T445 L532	T443-N447 VanDerWaalsContact OG1-CG 3.23Å; T443-N447 PolarHBondContact OG1-ND2 3.09Å; T443-N447 PolarHBondContact OG1-OD1 2.83Å; T445-N447 PolarHBondContact O-N 3.31Å; T445-N447 PolarHBondContact O-OD1 2.74Å; N447-L532 HydrophobicContact CB-CD1 4.28Å; N447-L532 WeakPolarHBondContact ND2-CD1 3.4Å
448	A	66.7	Low	75	Confident	13 Å²	13	43.6 Å²	43.6	11%	0.107	25%	0.252	C	S	.	.	S	Bend	trans	-140.4	134.5	175.9	0	0	0	0	0	110.3	S450 Q451	A448-S450 PolarHBondContact O-N 2.99Å; A448-S450 VanDerWaalsContact O-N 3.11Å; A448-Q451 HydrophobicContact CB-CG 4.48Å; A448-Q451 WeakPolarHBondContact O-CB 3.3Å; A448-Q451 PolarHBondContact O-N 2.97Å
449	P	71.1	Confident	74.6	Confident	20 Å²	20	50.8 Å²	50.8	13%	0.13	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-45.3	-35.8	168.9	-34	34.3	0	0	0	114.9	E67 I70 K71 N74 Q451 V452	E67-P449 HydrophobicContact CB-CG 4.3Å; E67-P449 VanDerWaalsContact OE2-CB 3.32Å; E67-P449 WeakPolarHBondContact OE2-CB 3.32Å; E67-P449 WeakPolarHBondContact OE2-CD 3.4Å; E67-P449 WeakPolarHBondContact OE2-CG 3.45Å; I70-P449 HydrophobicContact CB-CB 4.04Å; I70-P449 HydrophobicContact CG2-CB 3.61Å; K71-P449 HydrophobicContact CD-CG 4.27Å; K71-P449 HydrophobicContact CG-CB 3.91Å; K71-P449 HydrophobicContact CG-CG 3.68Å; N74-P449 PolarHBondContact ND2-O 2.87Å; P449-Q451 PolarHBondContact O-N 2.76Å; P449-Q451 VanDerWaalsContact O-N 3.15Å; P449-V452 WeakPolarHBondContact O-CB 3.04Å; P449-V452 PolarHBondContact O-N 2.86Å; P449-V452 VanDerWaalsContact O-N 3.14Å
450	S	70	Confident	74.4	Confident	5 Å²	5	55.2 Å²	55.2	4%	0.035	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-62.6	-20.1	177.6	-68.6	0	0	0	0	113.7	H151 L153 T155 A448	H151-S450 PolarHBondContact NE2-O 3.42Å; H151-S450 VanDerWaalsContact NE2-O 3.14Å; L153-S450 WeakPolarHBondContact O-CB 3.38Å; T155-S450 PolarHBondContact N-OG 3.37Å; A448-S450 PolarHBondContact O-N 2.99Å; A448-S450 VanDerWaalsContact O-N 3.11Å
451	Q	69.6	Low	74.4	Confident	42 Å²	42	55 Å²	55	20%	0.196	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-98.4	1.1	-179.2	-63.5	171.7	14.8	0	0	113	A448 P449 M453 S528	A448-Q451 HydrophobicContact CB-CG 4.48Å; A448-Q451 WeakPolarHBondContact O-CB 3.3Å; A448-Q451 PolarHBondContact O-N 2.97Å; P449-Q451 PolarHBondContact O-N 2.76Å; P449-Q451 VanDerWaalsContact O-N 3.15Å; Q451-M453 PolarHBondContact O-N 3.33Å; Q451-S528 PolarHBondContact NE2-OG 2.96Å
452	V	66.4	Low	74.5	Confident	49 Å²	49	55.2 Å²	55.2	30%	0.297	31%	0.307	S	S	.	.			trans	-76.7	107.9	-179	179.4	0	0	0	0	109.7	P446 P449 V454	P446-V452 HydrophobicContact CB-CG2 3.8Å; P446-V452 HydrophobicContact CG-CG2 4.21Å; P449-V452 WeakPolarHBondContact O-CB 3.04Å; P449-V452 PolarHBondContact O-N 2.86Å; P449-V452 VanDerWaalsContact O-N 3.14Å; V452-V454 HydrophobicContact CG1-CG2 3.96Å; V452-V454 PolarHBondContact O-N 2.92Å
453	M	65.2	Low	74.8	Confident	41 Å²	41	58.9 Å²	58.9	20%	0.202	33%	0.326	C	S	.	.			trans	-86.3	94.3	167.2	-63.1	-171.4	76.6	0	0	109.3	T414 Q451 R455 F456 H521	T414-M453 HydrophobicContact CG2-CE 4.36Å; Q451-M453 PolarHBondContact O-N 3.33Å; M453-R455 PolarHBondContact O-N 3.25Å; M453-F456 HydrophobicContact CE-CD2 4.17Å; M453-F456 HydrophobicContact CE-CE2 4.43Å; M453-F456 PolarHBondContact O-N 2.92Å; M453-H521 VanDerWaalsContact CE-CD2 3.45Å; M453-H521 WeakPolarHBondContact CE-CD2 3.43Å; M453-H521 HydrophobicContact SD-CB 3.89Å
454	V	58.1	Low	75.1	Confident	83 Å²	83	58.3 Å²	58.3	50%	0.503	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-19.8	-176	-178.7	0	0	0	0	112.3	N74 Q77 V452	N74-V454 HydrophobicContact CB-CG2 4.47Å; Q77-V454 HydrophobicContact CB-CB 4.19Å; Q77-V454 HydrophobicContact CB-CG2 4.3Å; Q77-V454 HydrophobicContact CG-CG2 4.39Å; Q77-V454 VanDerWaalsContact OE1-CG2 3.29Å; V452-V454 HydrophobicContact CG1-CG2 3.96Å; V452-V454 PolarHBondContact O-N 2.92Å
455	R	62.6	Low	75.9	Confident	117 Å²	117	54 Å²	54	44%	0.442	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-27.6	-176.6	-62.4	-168	-174.4	178.2	16.6	115.4	D80 M453	D80-R455 WeakPolarHBondContact OD1-CD 3.49Å; D80-R455 IonicContact OD1-CZ 2.67Å; D80-R455 IonicContact OD1-NE 2.61Å; D80-R455 IonicContact OD1-NH1 3.06Å; D80-R455 PolarHBondContact OD1-NH1 2.74Å; M453-R455 PolarHBondContact O-N 3.25Å
456	F	71.8	Confident	77.2	Confident	36 Å²	36	55.1 Å²	55.1	16%	0.158	28%	0.284	C	S	.	.	S	Bend	trans	-129.8	115.9	-171.9	-58.3	-66.8	0	0	0	111	M453 M460 Q461 R464	M453-F456 HydrophobicContact CE-CD2 4.17Å; M453-F456 HydrophobicContact CE-CE2 4.43Å; M453-F456 PolarHBondContact O-N 2.92Å; F456-M460 HydrophobicContact CD1-CE 4.11Å; F456-Q461 HydrophobicContact CB-CG 3.73Å; F456-Q461 PolarHBondContact O-NE2 3.37Å; F456-Q461 VanDerWaalsContact O-NE2 3.09Å; F456-R464 VanDerWaalsContact CE1-NH2 3.33Å
457	S	81.6	Confident	78.7	Confident	50 Å²	50	55.6 Å²	55.6	35%	0.35	28%	0.282	S	S	.	.			trans	-60.5	152.2	174	76.1	0	0	0	0	110.7	E459 M460 Q461	S457-E459 PolarHBondContact O-N 2.91Å; S457-M460 PolarHBondContact O-N 2.91Å; S457-M460 VanDerWaalsContact O-N 3.08Å; S457-M460 VanDerWaalsContact OG-CG 3.32Å; S457-M460 WeakPolarHBondContact OG-CG 3.35Å; S457-M460 PolarHBondContact OG-N 3.1Å; S457-M460 VanDerWaalsContact OG-N 3.16Å; S457-Q461 WeakPolarHBondContact O-CG 3.39Å; S457-Q461 PolarHBondContact O-N 3.46Å
458	P	84.4	Confident	80.4	Confident	66 Å²	66	52.2 Å²	52.2	43%	0.429	26%	0.264	S	S	.	.	H	α-helix	trans	-51.2	-38.9	174.3	-30.9	37.6	0	0	0	113.4	L441 Q461 L462	L441-P458 HydrophobicContact CD1-CB 3.66Å; L441-P458 HydrophobicContact CD1-CG 4.2Å; P458-Q461 PolarHBondContact O-N 3.21Å; P458-L462 WeakPolarHBondContact O-CB 3.19Å; P458-L462 PolarHBondContact O-N 2.78Å
459	E	87.2	Confident	81.8	Confident	152 Å²	152	52.1 Å²	52.1	71%	0.71	26%	0.263	S	S	*	.	H	α-helix	trans	-64.5	-44.6	177.4	-173.9	178.5	-169.7	0	0	112.6	S457 Q461 L462 N463	S457-E459 PolarHBondContact O-N 2.91Å; E459-Q461 VanDerWaalsContact C-N 3.31Å; E459-Q461 PolarHBondContact O-N 2.78Å; E459-L462 PolarHBondContact O-N 3.38Å; E459-N463 WeakPolarHBondContact O-CB 3.25Å; E459-N463 PolarHBondContact O-N 3.21Å
460	M	87.6	Confident	83	Confident	92 Å²	92	54.3 Å²	54.3	45%	0.453	28%	0.279	S	S	.	.	H	α-helix	trans	-61.8	-40.7	175.9	-72.1	173.5	75.2	0	0	111.6	F456 S457 R464	F456-M460 HydrophobicContact CD1-CE 4.11Å; S457-M460 PolarHBondContact O-N 2.91Å; S457-M460 VanDerWaalsContact O-N 3.08Å; S457-M460 VanDerWaalsContact OG-CG 3.32Å; S457-M460 WeakPolarHBondContact OG-CG 3.35Å; S457-M460 PolarHBondContact OG-N 3.1Å; S457-M460 VanDerWaalsContact OG-N 3.16Å; M460-R464 PolarHBondContact O-N 2.92Å
461	Q	89.3	Confident	84.2	Confident	5 Å²	5	55.2 Å²	55.2	2%	0.023	29%	0.287	C	S	.	.	H	α-helix	trans	-66.5	-41.8	177.9	-63.5	-172.5	48.7	0	0	111.8	P439 N440 F456 S457 P458 E459 R464 A465	P439-Q461 HydrophobicContact CB-CB 3.61Å; N440-Q461 VanDerWaalsContact N-OE1 3.11Å; F456-Q461 HydrophobicContact CB-CG 3.73Å; F456-Q461 PolarHBondContact O-NE2 3.37Å; F456-Q461 VanDerWaalsContact O-NE2 3.09Å; S457-Q461 WeakPolarHBondContact O-CG 3.39Å; S457-Q461 PolarHBondContact O-N 3.46Å; P458-Q461 PolarHBondContact O-N 3.21Å; E459-Q461 VanDerWaalsContact C-N 3.31Å; E459-Q461 PolarHBondContact O-N 2.78Å; Q461-R464 WeakPolarHBondContact O-CB 3.36Å; Q461-R464 PolarHBondContact O-N 3.2Å; Q461-A465 PolarHBondContact O-N 2.83Å
462	L	91.5	Very high	85.5	Confident	24 Å²	24	53.4 Å²	53.4	13%	0.126	28%	0.278	C	S	.	.	H	α-helix	trans	-67.3	-41.2	177	-177.2	58.6	0	0	0	111.8	P439 P458 E459 R464 A465 R466 V487 N489	P439-L462 HydrophobicContact CG-CD1 4.47Å; P458-L462 WeakPolarHBondContact O-CB 3.19Å; P458-L462 PolarHBondContact O-N 2.78Å; E459-L462 PolarHBondContact O-N 3.38Å; L462-R464 VanDerWaalsContact C-N 3.26Å; L462-R464 PolarHBondContact O-N 3.49Å; L462-A465 WeakPolarHBondContact O-CB 3.31Å; L462-A465 PolarHBondContact O-N 3.36Å; L462-A465 VanDerWaalsContact O-N 3.14Å; L462-R466 VanDerWaalsContact CD2-NH2 3.26Å; L462-R466 WeakPolarHBondContact O-CG 3.5Å; L462-R466 PolarHBondContact O-N 2.87Å; L462-V487 HydrophobicContact CD1-CG1 3.83Å; L462-N489 WeakPolarHBondContact CD2-OD1 3.48Å
463	N	92.3	Very high	87	Confident	81 Å²	81	53.1 Å²	53.1	43%	0.433	28%	0.278	S	S	.	.	H	α-helix	trans	-59.3	-40.3	173.9	-171.2	54.5	0	0	0	111.4	E459 R466 I467	E459-N463 WeakPolarHBondContact O-CB 3.25Å; E459-N463 PolarHBondContact O-N 3.21Å; N463-R466 WeakPolarHBondContact O-CB 3.13Å; N463-R466 PolarHBondContact O-N 2.95Å; N463-I467 WeakPolarHBondContact O-CG1 3.24Å; N463-I467 PolarHBondContact O-N 3.2Å
464	R	91.4	Very high	88.5	Confident	17 Å²	17	56 Å²	56	6%	0.064	29%	0.294	C	S	.	.	H	α-helix	trans	-61.5	-44.9	173.5	-169.7	-176.4	-61.9	146.9	-0.8	112	R413 G415 F456 M460 Q461 L462 R466 I467 I468	R413-R464 WeakPolarHBondContact O-CD 3.32Å; G415-R464 VanDerWaalsContact O-CD 3.24Å; G415-R464 WeakPolarHBondContact O-CD 3.39Å; G415-R464 PolarHBondContact O-NE 3.34Å; G415-R464 VanDerWaalsContact O-NE 3.14Å; F456-R464 VanDerWaalsContact CE1-NH2 3.33Å; M460-R464 PolarHBondContact O-N 2.92Å; Q461-R464 WeakPolarHBondContact O-CB 3.36Å; Q461-R464 PolarHBondContact O-N 3.2Å; L462-R464 VanDerWaalsContact C-N 3.26Å; L462-R464 PolarHBondContact O-N 3.49Å; R464-R466 VanDerWaalsContact C-N 3.26Å; R464-R466 PolarHBondContact O-N 3.07Å; R464-I467 PolarHBondContact O-N 2.97Å; R464-I467 VanDerWaalsContact O-N 3.17Å; R464-I468 HydrophobicContact CG-CD1 4.01Å; R464-I468 HydrophobicContact CG-CG1 4.47Å; R464-I468 VanDerWaalsContact O-CG1 3.3Å; R464-I468 WeakPolarHBondContact O-CG1 2.98Å; R464-I468 PolarHBondContact O-N 3.07Å
465	A	94.2	Very high	90.4	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-57.9	-39.4	175.6	0	0	0	0	0	111.8	F437 Q461 L462 I468 A469 V487	F437-A465 HydrophobicContact CB-CB 4.38Å; Q461-A465 PolarHBondContact O-N 2.83Å; L462-A465 WeakPolarHBondContact O-CB 3.31Å; L462-A465 PolarHBondContact O-N 3.36Å; L462-A465 VanDerWaalsContact O-N 3.14Å; A465-I468 PolarHBondContact O-N 2.97Å; A465-A469 WeakPolarHBondContact O-CB 3.44Å; A465-A469 PolarHBondContact O-N 2.74Å; A465-V487 HydrophobicContact CB-CG1 4.27Å
466	R	95.8	Very high	92	Very high	119 Å²	119	47.8 Å²	47.8	45%	0.449	26%	0.256	S	S	.	.	H	α-helix	trans	-64	-43.8	174	-65	178.4	-170.7	127.6	-0.3	113.1	L462 N463 R464 I468 A469 S470 V487	L462-R466 VanDerWaalsContact CD2-NH2 3.26Å; L462-R466 WeakPolarHBondContact O-CG 3.5Å; L462-R466 PolarHBondContact O-N 2.87Å; N463-R466 WeakPolarHBondContact O-CB 3.13Å; N463-R466 PolarHBondContact O-N 2.95Å; R464-R466 VanDerWaalsContact C-N 3.26Å; R464-R466 PolarHBondContact O-N 3.07Å; R466-I468 VanDerWaalsContact C-N 3.34Å; R466-I468 PolarHBondContact O-N 3.14Å; R466-A469 PolarHBondContact O-N 3.03Å; R466-S470 PolarHBondContact O-N 3.19Å; R466-V487 HydrophobicContact CG-CG1 4.02Å; R466-V487 HydrophobicContact CG-CG2 4.18Å
467	I	95.3	Very high	93.2	Very high	84 Å²	84	49.7 Å²	49.7	43%	0.431	28%	0.279	S	S	.	.	H	α-helix	trans	-61.3	-45	177.2	-69	165.7	0	0	0	110.5	F419 N463 R464 A469 S470 A471	F419-I467 HydrophobicContact CE1-CG2 4.33Å; F419-I467 HydrophobicContact CZ-CG2 3.77Å; N463-I467 WeakPolarHBondContact O-CG1 3.24Å; N463-I467 PolarHBondContact O-N 3.2Å; R464-I467 PolarHBondContact O-N 2.97Å; R464-I467 VanDerWaalsContact O-N 3.17Å; I467-A469 VanDerWaalsContact C-N 3.35Å; I467-S470 PolarHBondContact O-N 2.95Å; I467-A471 PolarHBondContact O-N 3.42Å; I467-A471 VanDerWaalsContact O-N 3.11Å
468	I	95.8	Very high	93.8	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-63.4	-42.7	177.9	-63.9	169.6	0	0	0	110.4	F411 R413 F419 L423 F437 R464 A465 R466 A471 W472	F411-I468 HydrophobicContact CD1-CG2 3.93Å; F411-I468 HydrophobicContact CE1-CG2 3.89Å; R413-I468 HydrophobicContact CB-CD1 4.49Å; F419-I468 HydrophobicContact CD1-CG1 4.12Å; F419-I468 HydrophobicContact CD2-CG1 4.23Å; F419-I468 HydrophobicContact CE1-CG1 4.37Å; F419-I468 HydrophobicContact CE2-CG1 4.48Å; F419-I468 HydrophobicContact CG-CG1 4.06Å; L423-I468 HydrophobicContact CD1-CG2 4.1Å; L423-I468 HydrophobicContact CD2-CG2 3.92Å; L423-I468 HydrophobicContact CG-CG2 4.5Å; F437-I468 HydrophobicContact CD1-CB 4.27Å; F437-I468 HydrophobicContact CD1-CG2 3.54Å; F437-I468 HydrophobicContact CE1-CG2 3.54Å; R464-I468 HydrophobicContact CG-CD1 4.01Å; R464-I468 HydrophobicContact CG-CG1 4.47Å; R464-I468 VanDerWaalsContact O-CG1 3.3Å; R464-I468 WeakPolarHBondContact O-CG1 2.98Å; R464-I468 PolarHBondContact O-N 3.07Å; A465-I468 PolarHBondContact O-N 2.97Å; R466-I468 VanDerWaalsContact C-N 3.34Å; R466-I468 PolarHBondContact O-N 3.14Å; I468-A471 PolarHBondContact O-N 2.7Å; I468-W472 PolarHBondContact O-N 3.12Å
469	A	96.8	Very high	94.3	Very high	10 Å²	10	52.3 Å²	52.3	8%	0.083	29%	0.288	C	S	.	.	H	α-helix	trans	-62.5	-42	176.9	0	0	0	0	0	112.6	F437 A465 R466 I467 A471 W472 S473 V487	F437-A469 HydrophobicContact CB-CB 4.07Å; F437-A469 HydrophobicContact CD2-CB 3.36Å; F437-A469 HydrophobicContact CE2-CB 3.97Å; F437-A469 HydrophobicContact CG-CB 3.81Å; A465-A469 WeakPolarHBondContact O-CB 3.44Å; A465-A469 PolarHBondContact O-N 2.74Å; R466-A469 PolarHBondContact O-N 3.03Å; I467-A469 VanDerWaalsContact C-N 3.35Å; A469-A471 VanDerWaalsContact C-N 3.32Å; A469-A471 PolarHBondContact O-N 2.85Å; A469-W472 WeakPolarHBondContact O-CB 3.01Å; A469-W472 PolarHBondContact O-N 3Å; A469-W472 VanDerWaalsContact O-N 3.13Å; A469-S473 PolarHBondContact O-N 3.35Å; A469-S473 PolarHBondContact O-OG 3.29Å; A469-V487 HydrophobicContact CB-CG2 3.4Å
470	S	96.5	Very high	94.6	Very high	66 Å²	66	54 Å²	54	46%	0.462	30%	0.295	S	S	.	.	H	α-helix	trans	-59.3	-44.7	175	-170.2	0	0	0	0	111.5	R466 I467 W472 S473 D474	R466-S470 PolarHBondContact O-N 3.19Å; I467-S470 PolarHBondContact O-N 2.95Å; S470-W472 VanDerWaalsContact C-N 3.26Å; S470-W472 PolarHBondContact O-N 3.4Å; S470-S473 WeakPolarHBondContact O-CB 3.29Å; S470-S473 PolarHBondContact O-N 3.42Å; S470-D474 VanDerWaalsContact O-CG 3.32Å; S470-D474 PolarHBondContact O-N 2.92Å
471	A	96.1	Very high	94.9	Very high	25 Å²	25	52.9 Å²	52.9	21%	0.207	29%	0.288	C	S	.	.	H	α-helix	trans	-65.9	-29.5	177.3	0	0	0	0	0	112.9	F419 L423 I467 I468 A469 L475	F419-A471 HydrophobicContact CD2-CB 4.36Å; F419-A471 HydrophobicContact CE2-CB 3.68Å; L423-A471 HydrophobicContact CD1-CB 3.96Å; I467-A471 PolarHBondContact O-N 3.42Å; I467-A471 VanDerWaalsContact O-N 3.11Å; I468-A471 PolarHBondContact O-N 2.7Å; A469-A471 VanDerWaalsContact C-N 3.32Å; A469-A471 PolarHBondContact O-N 2.85Å; A471-L475 WeakPolarHBondContact O-CB 3.47Å; A471-L475 PolarHBondContact O-N 2.88Å; A471-L475 VanDerWaalsContact O-N 3.1Å
472	W	96.9	Very high	95.1	Very high	3 Å²	3	60.7 Å²	60.7	1%	0.011	32%	0.322	C	S	.	.	H	α-helix	trans	-67.9	-47.1	171.5	176.8	-89.5	0	0	0	111.6	L423 L426 N427 F432 V435 F437 I468 A469 S470 D474 L475 C476 D483	L423-W472 HydrophobicContact CB-CE3 4.19Å; L423-W472 HydrophobicContact CD1-CB 4.32Å; L423-W472 HydrophobicContact CD2-CE3 4.09Å; L426-W472 HydrophobicContact CB-CZ3 4.34Å; N427-W472 HydrophobicContact CB-CH2 3.74Å; N427-W472 HydrophobicContact CB-CZ3 3.8Å; N427-W472 WeakPolarHBondContact OD1-CH2 3.45Å; F432-W472 HydrophobicContact CD2-CH2 4.48Å; V435-W472 HydrophobicContact CG2-CH2 4.24Å; V435-W472 HydrophobicContact CG2-CZ2 3.7Å; F437-W472 HydrophobicContact CE1-CB 4.41Å; F437-W472 HydrophobicContact CE2-CB 3.69Å; F437-W472 AromaticContact CE2-CD1 3.95Å; F437-W472 HydrophobicContact CE2-CD2 4.36Å; F437-W472 AromaticContact CE2-CG 3.71Å; F437-W472 HydrophobicContact CE2-CG 3.71Å; F437-W472 HydrophobicContact CZ-CB 3.39Å; F437-W472 AromaticContact CZ-CD2 3.79Å; F437-W472 HydrophobicContact CZ-CD2 3.79Å; F437-W472 HydrophobicContact CZ-CE3 4.12Å; F437-W472 AromaticContact CZ-CG 3.46Å; F437-W472 HydrophobicContact CZ-CG 3.46Å; F437-W472 VanDerWaalsContact CZ-CG 3.46Å; I468-W472 PolarHBondContact O-N 3.12Å; A469-W472 WeakPolarHBondContact O-CB 3.01Å; A469-W472 PolarHBondContact O-N 3Å; A469-W472 VanDerWaalsContact O-N 3.13Å; S470-W472 VanDerWaalsContact C-N 3.26Å; S470-W472 PolarHBondContact O-N 3.4Å; W472-D474 VanDerWaalsContact C-N 3.32Å; W472-D474 PolarHBondContact O-N 3.3Å; W472-L475 WeakPolarHBondContact O-CB 3.43Å; W472-L475 PolarHBondContact O-N 3.45Å; W472-L475 VanDerWaalsContact O-N 3.16Å; W472-C476 PolarHBondContact NE1-SG 2.92Å; W472-C476 PolarHBondContact O-N 3.42Å; W472-C476 PolarHBondContact O-SG 3.47Å; W472-D483 PolarHBondContact NE1-OD1 2.9Å
473	S	97.4	Very high	95.4	Very high	43 Å²	43	62.7 Å²	62.7	30%	0.301	33%	0.333	S	S	.	.	H	α-helix	trans	-56.8	-44.7	175.2	-61.5	0	0	0	0	112.2	A469 S470 L475 C476 A477 D483	A469-S473 PolarHBondContact O-N 3.35Å; A469-S473 PolarHBondContact O-OG 3.29Å; S470-S473 WeakPolarHBondContact O-CB 3.29Å; S470-S473 PolarHBondContact O-N 3.42Å; S473-L475 VanDerWaalsContact C-N 3.34Å; S473-L475 PolarHBondContact O-N 3.36Å; S473-C476 PolarHBondContact O-N 2.95Å; S473-A477 PolarHBondContact O-N 3.11Å; S473-D483 WeakPolarHBondContact CA-OD2 3.21Å; S473-D483 WeakPolarHBondContact CB-OD2 3.18Å; S473-D483 PolarHBondContact OG-OD2 2.71Å
474	D	96.9	Very high	95.6	Very high	102 Å²	102	60 Å²	60	55%	0.545	32%	0.319	S	S	.	.	H	α-helix	trans	-62.4	-40.5	176.6	-67.4	-24.7	0	0	0	112	S470 W472 T478	S470-D474 VanDerWaalsContact O-CG 3.32Å; S470-D474 PolarHBondContact O-N 2.92Å; W472-D474 VanDerWaalsContact C-N 3.32Å; W472-D474 PolarHBondContact O-N 3.3Å; D474-T478 WeakPolarHBondContact O-CB 3.47Å; D474-T478 PolarHBondContact O-N 3.5Å; D474-T478 PolarHBondContact O-OG1 3.29Å
475	L	96.6	Very high	95.8	Very high	27 Å²	27	60.2 Å²	60.2	14%	0.141	33%	0.327	C	S	.	.	H	α-helix	trans	-64.4	-46.2	175.2	175.3	67.6	0	0	0	111.4	L423 K424 N427 A471 W472 S473 A477 T478 E479	L423-L475 HydrophobicContact CB-CD2 4.04Å; K424-L475 HydrophobicContact CB-CD2 4.49Å; N427-L475 HydrophobicContact CB-CD2 3.8Å; A471-L475 WeakPolarHBondContact O-CB 3.47Å; A471-L475 PolarHBondContact O-N 2.88Å; A471-L475 VanDerWaalsContact O-N 3.1Å; W472-L475 WeakPolarHBondContact O-CB 3.43Å; W472-L475 PolarHBondContact O-N 3.45Å; W472-L475 VanDerWaalsContact O-N 3.16Å; S473-L475 VanDerWaalsContact C-N 3.34Å; S473-L475 PolarHBondContact O-N 3.36Å; L475-A477 VanDerWaalsContact C-N 3.35Å; L475-A477 PolarHBondContact O-N 2.96Å; L475-T478 PolarHBondContact O-N 2.99Å; L475-E479 HydrophobicContact CD1-CG 4.03Å; L475-E479 PolarHBondContact O-N 3.29Å
476	C	96.4	Very high	96	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-59.6	-44.4	176.7	-74.4	0	0	0	0	111.6	W472 S473 T478 E479 Q480 K481 D483	W472-C476 PolarHBondContact NE1-SG 2.92Å; W472-C476 PolarHBondContact O-N 3.42Å; W472-C476 PolarHBondContact O-SG 3.47Å; S473-C476 PolarHBondContact O-N 2.95Å; C476-T478 VanDerWaalsContact C-N 3.35Å; C476-T478 PolarHBondContact O-N 3.32Å; C476-E479 CarbonylContact O-C 3.4Å; C476-E479 PolarHBondContact O-N 2.96Å; C476-Q480 WeakPolarHBondContact O-CA 3.42Å; C476-Q480 PolarHBondContact O-N 3.2Å; C476-K481 PolarHBondContact O-N 3.3Å; C476-D483 HydrophobicContact CB-CB 4.08Å
477	A	96.4	Very high	96.1	Very high	76 Å²	76	61.8 Å²	61.8	63%	0.628	34%	0.342	S	S	*	.	H	α-helix	trans	-61.5	-43.3	175.7	0	0	0	0	0	111.9	S473 L475 Q480	S473-A477 PolarHBondContact O-N 3.11Å; L475-A477 VanDerWaalsContact C-N 3.35Å; L475-A477 PolarHBondContact O-N 2.96Å; A477-Q480 PolarHBondContact O-N 3.25Å
478	T	95.9	Very high	96.2	Very high	116 Å²	116	59 Å²	59	71%	0.712	33%	0.327	S	S	*	.	H	α-helix	trans	-66.2	-43	179.1	-57.8	0	0	0	0	112.3	D474 L475 C476 Q480	D474-T478 WeakPolarHBondContact O-CB 3.47Å; D474-T478 PolarHBondContact O-N 3.5Å; D474-T478 PolarHBondContact O-OG1 3.29Å; L475-T478 PolarHBondContact O-N 2.99Å; C476-T478 VanDerWaalsContact C-N 3.35Å; C476-T478 PolarHBondContact O-N 3.32Å; T478-Q480 VanDerWaalsContact C-N 3.26Å; T478-Q480 PolarHBondContact O-N 3.27Å
479	E	94.8	Very high	96.1	Very high	56 Å²	56	63.3 Å²	63.3	26%	0.262	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	6.8	178.9	-64.1	-162.8	155	0	0	112.9	N427 R428 L475 C476 K481	N427-E479 PolarHBondContact ND2-OE2 2.6Å; R428-E479 IonicContact CZ-OE1 3.64Å; R428-E479 IonicContact NE-OE1 3.35Å; R428-E479 PolarHBondContact NE-OE1 3.39Å; R428-E479 IonicContact NH2-OE1 2.99Å; R428-E479 PolarHBondContact NH2-OE1 3.18Å; L475-E479 HydrophobicContact CD1-CG 4.03Å; L475-E479 PolarHBondContact O-N 3.29Å; C476-E479 CarbonylContact O-C 3.4Å; C476-E479 PolarHBondContact O-N 2.96Å; E479-K481 HydrophobicContact CB-CG 4.49Å; E479-K481 PolarHBondContact O-N 2.98Å
480	Q	93.9	Very high	96	Very high	186 Å²	186	63 Å²	63	87%	0.869	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	35.2	-178.4	-58.2	178.5	12.8	0	0	113.5	C476 A477 T478	C476-Q480 WeakPolarHBondContact O-CA 3.42Å; C476-Q480 PolarHBondContact O-N 3.2Å; A477-Q480 PolarHBondContact O-N 3.25Å; T478-Q480 VanDerWaalsContact C-N 3.26Å; T478-Q480 PolarHBondContact O-N 3.27Å
481	K	93.6	Very high	95.9	Very high	69 Å²	69	59.9 Å²	59.9	30%	0.3	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-97.8	151.9	174.8	-71.4	-159.8	176.6	-161.8	0	111	N427 D431 C476 E479 D483	N427-K481 PolarHBondContact O-NZ 3.47Å; D431-K481 IonicContact OD1-NZ 2.91Å; D431-K481 PolarHBondContact OD1-NZ 3.31Å; C476-K481 PolarHBondContact O-N 3.3Å; E479-K481 HydrophobicContact CB-CG 4.49Å; E479-K481 PolarHBondContact O-N 2.98Å; K481-D483 PolarHBondContact O-N 3.01Å
482	K	93.7	Very high	95.8	Very high	169 Å²	169	60 Å²	60	74%	0.735	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-63.4	126.1	172.2	-177.8	-177	177.6	-176.6	0	109.6	V484	K482-V484 HydrophobicContact CD-CG1 4.11Å; K482-V484 HydrophobicContact CG-CG1 4.15Å; K482-V484 PolarHBondContact O-N 2.78Å
483	D	96.4	Very high	95.7	Very high	66 Å²	66	62.9 Å²	62.9	35%	0.353	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-75.3	118.4	170.4	-170.9	1.3	0	0	0	110.2	W472 S473 C476 K481 G485	W472-D483 PolarHBondContact NE1-OD1 2.9Å; S473-D483 WeakPolarHBondContact CA-OD2 3.21Å; S473-D483 WeakPolarHBondContact CB-OD2 3.18Å; S473-D483 PolarHBondContact OG-OD2 2.71Å; C476-D483 HydrophobicContact CB-CB 4.08Å; K481-D483 PolarHBondContact O-N 3.01Å; D483-G485 WeakPolarHBondContact OD1-CA 3.4Å; D483-G485 PolarHBondContact OD1-N 2.74Å
484	V	96.3	Very high	95.6	Very high	24 Å²	24	60.9 Å²	60.9	15%	0.145	33%	0.325	C	S	.	.			trans	-118.1	13.6	175.6	-64.3	0	0	0	0	111.7	F432 V435 K482	F432-V484 WeakPolarHBondContact O-CG2 3.49Å; V435-V484 HydrophobicContact CB-CG2 4.49Å; V435-V484 HydrophobicContact CG2-CG2 3.86Å; V435-V484 PolarHBondContact N-O 3.33Å; K482-V484 HydrophobicContact CD-CG1 4.11Å; K482-V484 HydrophobicContact CG-CG1 4.15Å; K482-V484 PolarHBondContact O-N 2.78Å
485	G	97.1	Very high	95.6	Very high	23 Å²	23	56 Å²	56	24%	0.237	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	136.1	-179.3	0	0	0	0	0	112.9	V435 D483	V435-G485 CarbonylContact O-C 3.58Å; V435-G485 WeakPolarHBondContact O-CA 3.48Å; D483-G485 WeakPolarHBondContact OD1-CA 3.4Å; D483-G485 PolarHBondContact OD1-N 2.74Å
486	Q	97.5	Very high	95.4	Very high	108 Å²	108	57.4 Å²	57.4	51%	0.505	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	145.1	174.1	-175.2	170.7	-3.5	0	0	111.2	V435 F437 Y488	V435-Q486 PolarHBondContact O-N 2.72Å; F437-Q486 PolarHBondContact N-O 2.87Å; Q486-Y488 HydrophobicContact CB-CE2 3.82Å; Q486-Y488 VanDerWaalsContact CD-OH 3.29Å; Q486-Y488 HydrophobicContact CG-CE2 3.9Å; Q486-Y488 PolarHBondContact OE1-OH 3.01Å
487	V	98	Very high	95.3	Very high	43 Å²	43	58.1 Å²	58.1	26%	0.261	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	135.6	174.6	-177.2	0	0	0	0	110.1	F437 L462 A465 R466 A469	F437-V487 HydrophobicContact CB-CG2 4.33Å; F437-V487 VanDerWaalsContact O-CA 3.3Å; F437-V487 WeakPolarHBondContact O-CA 3.36Å; L462-V487 HydrophobicContact CD1-CG1 3.83Å; A465-V487 HydrophobicContact CB-CG1 4.27Å; R466-V487 HydrophobicContact CG-CG1 4.02Å; R466-V487 HydrophobicContact CG-CG2 4.18Å; A469-V487 HydrophobicContact CB-CG2 3.4Å
488	Y	97.2	Very high	95.2	Very high	25 Å²	25	54.5 Å²	54.5	10%	0.098	29%	0.285	C	S	.	.			trans	-122.7	149	173	-63.5	-89.6	0	0	0	110.3	M434 C436 F437 P439 Q486 T490 D493 A494 A497	M434-Y488 HydrophobicContact CE-CE2 3.9Å; M434-Y488 WeakPolarHBondContact CE-OH 2.93Å; C436-Y488 HydrophobicContact CB-CD2 3.87Å; C436-Y488 HydrophobicContact CB-CE2 3.97Å; F437-Y488 PolarHBondContact O-N 3.32Å; P439-Y488 WeakPolarHBondContact CD-O 3.44Å; Q486-Y488 HydrophobicContact CB-CE2 3.82Å; Q486-Y488 VanDerWaalsContact CD-OH 3.29Å; Q486-Y488 HydrophobicContact CG-CE2 3.9Å; Q486-Y488 PolarHBondContact OE1-OH 3.01Å; Y488-T490 VanDerWaalsContact C-N 3.34Å; Y488-D493 HydrophobicContact CD1-CB 4.26Å; Y488-A494 HydrophobicContact CD1-CB 4.43Å; Y488-A494 HydrophobicContact CD2-CB 3.99Å; Y488-A494 HydrophobicContact CG-CB 3.88Å; Y488-A497 HydrophobicContact CD1-CB 4.26Å; Y488-A497 HydrophobicContact CE1-CB 3.33Å
489	N	93.8	Very high	94.9	Very high	92 Å²	92	51.7 Å²	51.7	49%	0.492	26%	0.261	S	S	.	.	S	Bend	trans	-74.8	-27.4	-176.7	-64.7	-34	0	0	0	112.3	P439 L462 D493	P439-N489 WeakPolarHBondContact CG-O 3.44Å; L462-N489 WeakPolarHBondContact CD2-OD1 3.48Å; N489-D493 WeakPolarHBondContact CB-OD2 3.3Å
490	T	94.3	Very high	94.7	Very high	4 Å²	4	56 Å²	56	3%	0.025	28%	0.281	C	S	.	.	S	Bend	trans	-148.3	165.8	-177.8	68.7	0	0	0	0	111	A442 T443 S444 Y488 T492 D493 A494	A442-T490 WeakPolarHBondContact O-CB 3.48Å; T443-T490 VanDerWaalsContact C-CG2 3.42Å; S444-T490 VanDerWaalsContact N-CG2 3.33Å; Y488-T490 VanDerWaalsContact C-N 3.34Å; T490-T492 VanDerWaalsContact C-N 3.33Å; T490-D493 PolarHBondContact N-OD2 2.85Å; T490-D493 VanDerWaalsContact N-OD2 3.16Å; T490-D493 PolarHBondContact O-N 3.33Å; T490-D493 PolarHBondContact OG1-N 3.41Å; T490-D493 PolarHBondContact OG1-OD2 2.81Å; T490-A494 PolarHBondContact O-N 3.03Å; T490-A494 VanDerWaalsContact O-N 3.15Å
491	L	94.9	Very high	94.7	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-67.2	-36	173.1	-86.7	-68.7	0	0	0	111.3	I410 V438 P439 L441 A442 D493 A494 F495 L522 A525 A526 A529	I410-L491 HydrophobicContact CD1-CD1 4.47Å; I410-L491 HydrophobicContact CG2-CD1 3.61Å; V438-L491 HydrophobicContact CB-CD2 3.78Å; V438-L491 HydrophobicContact CG1-CD2 4.33Å; V438-L491 HydrophobicContact CG2-CD1 4Å; V438-L491 HydrophobicContact CG2-CD2 3.71Å; P439-L491 WeakPolarHBondContact O-CD2 3.24Å; L441-L491 WeakPolarHBondContact O-CD2 3.35Å; L441-L491 PolarHBondContact O-N 2.74Å; A442-L491 PolarHBondContact O-N 3.19Å; L491-D493 VanDerWaalsContact C-N 3.31Å; L491-D493 PolarHBondContact O-N 3.47Å; L491-A494 PolarHBondContact O-N 3.38Å; L491-F495 HydrophobicContact CB-CD2 4.39Å; L491-F495 HydrophobicContact CB-CE2 4.38Å; L491-F495 HydrophobicContact CD1-CE2 4.06Å; L491-F495 WeakPolarHBondContact O-CD2 3.48Å; L491-F495 PolarHBondContact O-N 3.48Å; L491-L522 HydrophobicContact CD1-CD1 4.2Å; L491-L522 HydrophobicContact CD2-CD1 3.8Å; L491-L522 HydrophobicContact CG-CD1 4.37Å; L491-A525 HydrophobicContact CD2-CB 4.29Å; L491-A525 HydrophobicContact CG-CB 4.34Å; L491-A526 HydrophobicContact CD1-CB 3.94Å; L491-A526 HydrophobicContact CG-CB 4.31Å; L491-A529 HydrophobicContact CB-CB 3.53Å
492	T	93.8	Very high	94.5	Very high	29 Å²	29	51 Å²	51	18%	0.178	25%	0.253	C	S	.	.	H	α-helix	trans	-60.6	-40.4	174.1	-63.2	0	0	0	0	111.6	A442 T490 T496 I533	A442-T492 PolarHBondContact O-N 3.08Å; A442-T492 PolarHBondContact O-OG1 2.81Å; T490-T492 VanDerWaalsContact C-N 3.33Å; T492-T496 VanDerWaalsContact O-CB 3.29Å; T492-T496 WeakPolarHBondContact O-CB 3.3Å; T492-T496 PolarHBondContact O-N 2.78Å; T492-T496 PolarHBondContact O-OG1 3.16Å; T492-I533 HydrophobicContact CG2-CD1 4.31Å; T492-I533 HydrophobicContact CG2-CG1 4.09Å
493	D	94.6	Very high	93.8	Very high	63 Å²	63	46 Å²	46	34%	0.337	24%	0.239	S	C	.	.	H	α-helix	trans	-63.8	-44.9	175.1	-60.7	-39.1	0	0	0	111.4	Y488 N489 T490 L491 T496 A497	Y488-D493 HydrophobicContact CD1-CB 4.26Å; N489-D493 WeakPolarHBondContact CB-OD2 3.3Å; T490-D493 PolarHBondContact N-OD2 2.85Å; T490-D493 VanDerWaalsContact N-OD2 3.16Å; T490-D493 PolarHBondContact O-N 3.33Å; T490-D493 PolarHBondContact OG1-N 3.41Å; T490-D493 PolarHBondContact OG1-OD2 2.81Å; L491-D493 VanDerWaalsContact C-N 3.31Å; L491-D493 PolarHBondContact O-N 3.47Å; D493-T496 PolarHBondContact O-N 3Å; D493-A497 WeakPolarHBondContact O-CB 3.4Å; D493-A497 PolarHBondContact O-N 2.83Å
494	A	96.6	Very high	92.4	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62.2	-48.1	178.5	0	0	0	0	0	111.7	C436 V438 Y488 T490 L491 T496 A497 I498	C436-A494 HydrophobicContact CB-CB 4.18Å; V438-A494 HydrophobicContact CG1-CB 3.73Å; Y488-A494 HydrophobicContact CD1-CB 4.43Å; Y488-A494 HydrophobicContact CD2-CB 3.99Å; Y488-A494 HydrophobicContact CG-CB 3.88Å; T490-A494 PolarHBondContact O-N 3.03Å; T490-A494 VanDerWaalsContact O-N 3.15Å; L491-A494 PolarHBondContact O-N 3.38Å; A494-T496 VanDerWaalsContact C-N 3.33Å; A494-T496 PolarHBondContact O-N 3.39Å; A494-A497 PolarHBondContact O-N 3.31Å; A494-I498 VanDerWaalsContact O-CG1 3.25Å; A494-I498 WeakPolarHBondContact O-CG1 3.46Å; A494-I498 PolarHBondContact O-N 3.33Å
495	F	94.8	Very high	90.8	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-64.6	-36.4	176.8	-76.2	-60.9	0	0	0	112.6	M376 I410 L491 I498 R499 V514 A526 A529 L530 I533	M376-F495 HydrophobicContact CE-CD1 4.5Å; M376-F495 HydrophobicContact SD-CD1 4.23Å; M376-F495 HydrophobicContact SD-CE1 4.43Å; I410-F495 HydrophobicContact CD1-CD1 4.21Å; I410-F495 HydrophobicContact CD1-CE1 3.55Å; I410-F495 HydrophobicContact CD1-CE2 4.26Å; I410-F495 HydrophobicContact CD1-CZ 3.58Å; L491-F495 HydrophobicContact CB-CD2 4.39Å; L491-F495 HydrophobicContact CB-CE2 4.38Å; L491-F495 HydrophobicContact CD1-CE2 4.06Å; L491-F495 WeakPolarHBondContact O-CD2 3.48Å; L491-F495 PolarHBondContact O-N 3.48Å; F495-I498 HydrophobicContact CD1-CD1 4.06Å; F495-I498 HydrophobicContact CE1-CD1 4.5Å; F495-I498 PolarHBondContact O-N 2.78Å; F495-R499 WeakPolarHBondContact O-CG 3.06Å; F495-R499 PolarHBondContact O-N 2.8Å; F495-V514 HydrophobicContact CE1-CG1 4.4Å; F495-A526 HydrophobicContact CE2-CB 4.07Å; F495-A526 HydrophobicContact CZ-CB 4.21Å; F495-A529 HydrophobicContact CD2-CB 4.1Å; F495-A529 HydrophobicContact CE2-CB 4.33Å; F495-L530 HydrophobicContact CB-CD2 4.38Å; F495-L530 HydrophobicContact CD1-CD2 3.73Å; F495-L530 HydrophobicContact CD1-CG 4.45Å; F495-L530 HydrophobicContact CD2-CD2 3.83Å; F495-L530 HydrophobicContact CD2-CG 3.97Å; F495-L530 HydrophobicContact CE1-CD1 4.12Å; F495-L530 HydrophobicContact CE1-CD2 3.87Å; F495-L530 HydrophobicContact CE1-CG 4.19Å; F495-L530 HydrophobicContact CE2-CD1 4.11Å; F495-L530 HydrophobicContact CE2-CD2 3.97Å; F495-L530 HydrophobicContact CE2-CG 3.68Å; F495-L530 HydrophobicContact CG-CD2 3.72Å; F495-L530 HydrophobicContact CG-CG 4.36Å; F495-L530 HydrophobicContact CZ-CD1 3.75Å; F495-L530 HydrophobicContact CZ-CD2 3.99Å; F495-L530 HydrophobicContact CZ-CG 3.8Å; F495-I533 HydrophobicContact CB-CD1 3.71Å; F495-I533 HydrophobicContact CG-CD1 4.49Å
496	T	93	Very high	88.8	Confident	56 Å²	56	50.8 Å²	50.8	34%	0.344	26%	0.255	S	S	.	.	H	α-helix	trans	-61.9	-45.5	173.6	-60.4	0	0	0	0	111	T492 D493 A494 R499 Q500	T492-T496 VanDerWaalsContact O-CB 3.29Å; T492-T496 WeakPolarHBondContact O-CB 3.3Å; T492-T496 PolarHBondContact O-N 2.78Å; T492-T496 PolarHBondContact O-OG1 3.16Å; D493-T496 PolarHBondContact O-N 3Å; A494-T496 VanDerWaalsContact C-N 3.33Å; A494-T496 PolarHBondContact O-N 3.39Å; T496-R499 PolarHBondContact O-N 3.1Å; T496-Q500 VanDerWaalsContact O-CG 3.32Å; T496-Q500 WeakPolarHBondContact O-CG 3.17Å; T496-Q500 PolarHBondContact O-N 2.68Å
497	A	94.8	Very high	86.8	Confident	16 Å²	16	51.5 Å²	51.5	13%	0.132	26%	0.263	C	S	.	.	H	α-helix	trans	-65	-38.5	177.2	0	0	0	0	0	112.6	M434 Y488 D493 A494 Q500 R501	M434-A497 HydrophobicContact CE-CB 4.09Å; Y488-A497 HydrophobicContact CD1-CB 4.26Å; Y488-A497 HydrophobicContact CE1-CB 3.33Å; D493-A497 WeakPolarHBondContact O-CB 3.4Å; D493-A497 PolarHBondContact O-N 2.83Å; A494-A497 PolarHBondContact O-N 3.31Å; A497-Q500 PolarHBondContact O-N 2.92Å; A497-R501 VanDerWaalsContact O-CB 3.31Å; A497-R501 WeakPolarHBondContact O-CB 3.43Å; A497-R501 PolarHBondContact O-N 3.3Å
498	I	94.1	Very high	84.3	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-58.6	-50.5	173.5	-69.2	163.5	0	0	0	110.1	I408 I410 M434 A494 F495 Q500 R501 F502 L512	I408-I498 HydrophobicContact CG2-CD1 3.74Å; I408-I498 HydrophobicContact CG2-CG1 4.09Å; I410-I498 HydrophobicContact CD1-CD1 3.93Å; I410-I498 HydrophobicContact CG1-CD1 4.35Å; M434-I498 HydrophobicContact CE-CG1 3.8Å; M434-I498 HydrophobicContact SD-CG1 3.95Å; A494-I498 VanDerWaalsContact O-CG1 3.25Å; A494-I498 WeakPolarHBondContact O-CG1 3.46Å; A494-I498 PolarHBondContact O-N 3.33Å; F495-I498 HydrophobicContact CD1-CD1 4.06Å; F495-I498 HydrophobicContact CE1-CD1 4.5Å; F495-I498 PolarHBondContact O-N 2.78Å; I498-Q500 VanDerWaalsContact C-N 3.34Å; I498-Q500 PolarHBondContact O-N 2.96Å; I498-R501 PolarHBondContact O-N 2.9Å; I498-F502 HydrophobicContact CG2-CD2 4.32Å; I498-F502 WeakPolarHBondContact O-CD2 3.33Å; I498-F502 PolarHBondContact O-N 3.36Å; I498-L512 HydrophobicContact CG2-CD1 3.64Å
499	R	90	Very high	82.1	Confident	57 Å²	57	65.1 Å²	65.1	22%	0.215	33%	0.329	C	S	.	.	H	α-helix	trans	-62.5	-39.4	179.2	-67.3	-172.9	173.3	-178.1	0.6	112.5	F495 T496 F502 P503 T506	F495-R499 WeakPolarHBondContact O-CG 3.06Å; F495-R499 PolarHBondContact O-N 2.8Å; T496-R499 PolarHBondContact O-N 3.1Å; R499-F502 CarbonylContact O-C 3.59Å; R499-P503 WeakPolarHBondContact O-CA 3.38Å; R499-T506 HydrophobicContact CB-CG2 4.4Å; R499-T506 HydrophobicContact CG-CG2 3.98Å
500	Q	91	Very high	80.4	Confident	146 Å²	146	62.2 Å²	62.2	68%	0.682	32%	0.32	S	S	*	.	H	α-helix	trans	-67	-36.8	176.8	-74.3	174.3	-5	0	0	112.9	T496 A497 I498	T496-Q500 VanDerWaalsContact O-CG 3.32Å; T496-Q500 WeakPolarHBondContact O-CG 3.17Å; T496-Q500 PolarHBondContact O-N 2.68Å; A497-Q500 PolarHBondContact O-N 2.92Å; I498-Q500 VanDerWaalsContact C-N 3.34Å; I498-Q500 PolarHBondContact O-N 2.96Å
501	R	92.4	Very high	79.9	Confident	117 Å²	117	64.7 Å²	64.7	44%	0.442	33%	0.331	S	S	.	.	H	α-helix	trans	-75.9	-32.4	179.8	-175.6	170.8	178.1	178	-8.7	112.5	D433 A497 I498 P503	D433-R501 VanDerWaalsContact O-CZ 3.24Å; D433-R501 PolarHBondContact O-NH1 3.02Å; D433-R501 PolarHBondContact O-NH2 3.34Å; A497-R501 VanDerWaalsContact O-CB 3.31Å; A497-R501 WeakPolarHBondContact O-CB 3.43Å; A497-R501 PolarHBondContact O-N 3.3Å; I498-R501 PolarHBondContact O-N 2.9Å; R501-P503 WeakPolarHBondContact O-CD 3.42Å
502	F	90.1	Very high	79.8	Confident	32 Å²	32	64.7 Å²	64.7	14%	0.14	33%	0.331	C	S	.	.			trans	-123.3	58.7	-177.6	-54.7	-77.2	0	0	0	112.3	P406 I408 D433 M434 I498 R499 Q504 A505 L512	P406-F502 HydrophobicContact CB-CD1 4.08Å; P406-F502 HydrophobicContact CB-CE1 3.72Å; P406-F502 HydrophobicContact CB-CZ 4.1Å; P406-F502 HydrophobicContact CG-CD1 3.94Å; P406-F502 HydrophobicContact CG-CE1 3.96Å; I408-F502 HydrophobicContact CD1-CE2 4.3Å; I408-F502 HydrophobicContact CG1-CE2 4.14Å; D433-F502 HydrophobicContact CB-CZ 4.01Å; M434-F502 HydrophobicContact CB-CE2 4.33Å; M434-F502 HydrophobicContact SD-CE2 4.17Å; I498-F502 HydrophobicContact CG2-CD2 4.32Å; I498-F502 WeakPolarHBondContact O-CD2 3.33Å; I498-F502 PolarHBondContact O-N 3.36Å; R499-F502 CarbonylContact O-C 3.59Å; F502-Q504 VanDerWaalsContact C-N 3.29Å; F502-Q504 PolarHBondContact O-N 2.79Å; F502-A505 HydrophobicContact CB-CB 4.42Å; F502-A505 PolarHBondContact O-N 2.82Å; F502-L512 HydrophobicContact CB-CD1 4.07Å; F502-L512 HydrophobicContact CB-CD2 3.84Å; F502-L512 HydrophobicContact CD1-CD2 4.39Å; F502-L512 HydrophobicContact CD2-CD1 4.42Å; F502-L512 HydrophobicContact CD2-CD2 4.34Å; F502-L512 HydrophobicContact CG-CD2 3.95Å
503	P	79.1	Confident	79.9	Confident	66 Å²	66	63.3 Å²	63.3	43%	0.429	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-29.9	-171.8	27.6	-35	0	0	0	113	R499 R501 A505 T506	R499-P503 WeakPolarHBondContact O-CA 3.38Å; R501-P503 WeakPolarHBondContact O-CD 3.42Å; P503-A505 VanDerWaalsContact C-N 3.26Å; P503-A505 PolarHBondContact O-N 3.47Å; P503-T506 PolarHBondContact O-N 2.98Å; P503-T506 PolarHBondContact O-OG1 2.58Å; P503-T506 VanDerWaalsContact O-OG1 3.09Å
504	Q	67.7	Low	80.1	Confident	170 Å²	170	60.3 Å²	60.3	79%	0.794	31%	0.307	S	S	*	.	H	α-helix	trans	-70.2	-23	179.8	-63.8	-102.2	-17.6	0	0	112.5	F502	F502-Q504 VanDerWaalsContact C-N 3.29Å; F502-Q504 PolarHBondContact O-N 2.79Å
505	A	62.3	Low	80.1	Confident	11 Å²	11	60.3 Å²	60.3	9%	0.091	31%	0.307	C	S	.	.	H	α-helix	trans	-88.2	-10.7	-179.3	0	0	0	0	0	113.5	F502 P503 L512	F502-A505 HydrophobicContact CB-CB 4.42Å; F502-A505 PolarHBondContact O-N 2.82Å; P503-A505 VanDerWaalsContact C-N 3.26Å; P503-A505 PolarHBondContact O-N 3.47Å; A505-L512 HydrophobicContact CB-CD1 4.43Å; A505-L512 HydrophobicContact CB-CD2 3.63Å; A505-L512 HydrophobicContact CB-CG 3.79Å
506	T	55.8	Low	80.3	Confident	32 Å²	32	60.4 Å²	60.4	20%	0.196	31%	0.307	C	S	.	.	H	α-helix	trans	-99.9	-16.2	-179.3	55.3	0	0	0	0	112.9	R499 P503	R499-T506 HydrophobicContact CB-CG2 4.4Å; R499-T506 HydrophobicContact CG-CG2 3.98Å; P503-T506 PolarHBondContact O-N 2.98Å; P503-T506 PolarHBondContact O-OG1 2.58Å; P503-T506 VanDerWaalsContact O-OG1 3.09Å
507	D	54.4	Low	80.5	Confident	123 Å²	123	57.7 Å²	57.7	66%	0.658	29%	0.291	S	S	*	.	H	α-helix	trans	-114.7	-24.7	-167.8	-69.9	-5	0	0	0	115.2
508	N	44.6	Very low	80.4	Confident	146 Å²	146	57 Å²	57	78%	0.781	29%	0.285	S	S	*	.	S	Bend	trans	-169.4	125.2	170.9	-85.6	-43.9	0	0	0	112.2	G510	N508-G510 VanDerWaalsContact C-N 3.27Å; N508-G510 PolarHBondContact O-N 2.84Å
509	E	51.9	Low	80.3	Confident	208 Å²	208	57.1 Å²	57.1	97%	0.972	29%	0.286	S	S	*	.	S	Bend	trans	63.3	-18.5	169.8	-61.6	-171.9	169.9	0	0	120.1
510	G	57.8	Low	80.3	Confident	30 Å²	30	55.2 Å²	55.2	31%	0.309	28%	0.28	S	S	.	.			trans	-78.9	152.9	170.1	0	0	0	0	0	112.9	N508	N508-G510 VanDerWaalsContact C-N 3.27Å; N508-G510 PolarHBondContact O-N 2.84Å
511	Q	84.2	Confident	80.2	Confident	56 Å²	56	51 Å²	51	26%	0.262	26%	0.26	S	S	.	.			trans	-131.3	144.7	174.5	-172.8	176.2	30.4	0	0	109.5	E372 G375 R377 N405	E372-Q511 PolarHBondContact OE1-NE2 3.32Å; E372-Q511 PolarHBondContact OE2-NE2 3.45Å; G375-Q511 CarbonylContact O-C 3.58Å; G375-Q511 VanDerWaalsContact O-CA 3.25Å; G375-Q511 WeakPolarHBondContact O-CA 3.46Å; R377-Q511 HydrophobicContact CB-CG 4.2Å; N405-Q511 WeakPolarHBondContact CB-O 3.48Å; N405-Q511 PolarHBondContact OD1-O 3.47Å
512	L	93.4	Very high	80.3	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	141.7	175.2	-60.4	-179.8	0	0	0	110.4	G375 M376 R377 P406 I408 I498 F502 A505 V514	G375-L512 PolarHBondContact O-N 3.39Å; M376-L512 HydrophobicContact CG-CB 4.2Å; M376-L512 HydrophobicContact CG-CD1 4.11Å; R377-L512 PolarHBondContact N-O 2.99Å; P406-L512 HydrophobicContact CB-CD2 3.85Å; P406-L512 HydrophobicContact CG-CD2 3.81Å; I408-L512 HydrophobicContact CD1-CB 3.92Å; I408-L512 HydrophobicContact CD1-CD1 4.24Å; I408-L512 HydrophobicContact CD1-CD2 4.06Å; I408-L512 HydrophobicContact CD1-CG 4.3Å; I498-L512 HydrophobicContact CG2-CD1 3.64Å; F502-L512 HydrophobicContact CB-CD1 4.07Å; F502-L512 HydrophobicContact CB-CD2 3.84Å; F502-L512 HydrophobicContact CD1-CD2 4.39Å; F502-L512 HydrophobicContact CD2-CD1 4.42Å; F502-L512 HydrophobicContact CD2-CD2 4.34Å; F502-L512 HydrophobicContact CG-CD2 3.95Å; A505-L512 HydrophobicContact CB-CD1 4.43Å; A505-L512 HydrophobicContact CB-CD2 3.63Å; A505-L512 HydrophobicContact CB-CG 3.79Å; L512-V514 HydrophobicContact CB-CG2 4.11Å
513	E	95.8	Very high	80.5	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	104.3	172.4	-53.9	-65.7	172.8	0	0	109	R377 H379 F396 V400 S403 N405 P406 K407 I408	R377-E513 IonicContact CZ-OE1 2.68Å; R377-E513 VanDerWaalsContact CZ-OE1 3.31Å; R377-E513 IonicContact CZ-OE2 3.33Å; R377-E513 IonicContact NE-OE1 2.87Å; R377-E513 PolarHBondContact NE-OE1 3.11Å; R377-E513 IonicContact NE-OE2 2.78Å; R377-E513 PolarHBondContact NE-OE2 3.14Å; R377-E513 IonicContact NH2-OE1 2.92Å; R377-E513 PolarHBondContact NH2-OE1 3.34Å; R377-E513 IonicContact NH2-OE2 3.31Å; R377-E513 PolarHBondContact NH2-OE2 3.14Å; H379-E513 IonicContact CD2-OE2 3.28Å; H379-E513 IonicContact CE1-OE2 3.75Å; H379-E513 IonicContact NE2-OE2 2.88Å; H379-E513 PolarHBondContact NE2-OE2 3.49Å; F396-E513 HydrophobicContact CE2-CB 4.5Å; F396-E513 HydrophobicContact CZ-CB 4.43Å; V400-E513 HydrophobicContact CB-CG 4.49Å; V400-E513 HydrophobicContact CG1-CB 3.96Å; V400-E513 HydrophobicContact CG1-CG 3.88Å; S403-E513 PolarHBondContact OG-OE1 2.9Å; N405-E513 HydrophobicContact CB-CG 3.83Å; N405-E513 PolarHBondContact ND2-OE1 3.11Å; P406-E513 PolarHBondContact O-N 2.85Å; K407-E513 CarbonylContact C-O 3.58Å; K407-E513 WeakPolarHBondContact CA-O 3.33Å; K407-E513 HydrophobicContact CG-CB 4.1Å; K407-E513 HydrophobicContact CG-CG 4.36Å; I408-E513 PolarHBondContact N-O 3.04Å
514	V	97.4	Very high	81	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	104.9	-175	-171.9	0	0	0	0	110.3	M376 R377 L378 H379 I408 I410 F495 L512 V516	M376-V514 HydrophobicContact CB-CG2 4.12Å; M376-V514 HydrophobicContact CG-CG2 4.25Å; M376-V514 HydrophobicContact SD-CG2 4.28Å; R377-V514 PolarHBondContact O-N 3.17Å; L378-V514 HydrophobicContact CD2-CB 3.92Å; L378-V514 HydrophobicContact CD2-CG1 4.31Å; L378-V514 HydrophobicContact CD2-CG2 4.36Å; H379-V514 PolarHBondContact N-O 3.32Å; I408-V514 HydrophobicContact CB-CG1 4.44Å; I408-V514 HydrophobicContact CB-CG2 4.35Å; I408-V514 HydrophobicContact CD1-CG2 4.23Å; I408-V514 HydrophobicContact CG2-CG1 4.46Å; I408-V514 CarbonylContact O-C 3.57Å; I408-V514 WeakPolarHBondContact O-CA 3.5Å; I410-V514 HydrophobicContact CD1-CG1 3.8Å; I410-V514 HydrophobicContact CG1-CG1 4.11Å; F495-V514 HydrophobicContact CE1-CG1 4.4Å; L512-V514 HydrophobicContact CB-CG2 4.11Å; V514-V516 HydrophobicContact CG1-CG2 4.26Å
515	L	98.3	Very high	82.2	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	117.9	171.8	179.3	59.4	0	0	0	110.4	H379 W395 F396 I408 L409 I410 L426 F432 T517	H379-L515 HydrophobicContact CB-CD1 3.95Å; H379-L515 WeakPolarHBondContact O-CA 3.4Å; H379-L515 WeakPolarHBondContact O-CD1 3.31Å; W395-L515 HydrophobicContact CZ3-CD1 4.44Å; F396-L515 HydrophobicContact CB-CD2 4.25Å; F396-L515 HydrophobicContact CD1-CD2 3.88Å; F396-L515 HydrophobicContact CD2-CB 3.99Å; F396-L515 HydrophobicContact CD2-CD1 4.13Å; F396-L515 HydrophobicContact CD2-CD2 4.26Å; F396-L515 HydrophobicContact CD2-CG 4.35Å; F396-L515 HydrophobicContact CE1-CB 4.33Å; F396-L515 HydrophobicContact CE1-CD2 4.27Å; F396-L515 HydrophobicContact CE2-CB 3.73Å; F396-L515 HydrophobicContact CG-CB 4.41Å; F396-L515 HydrophobicContact CG-CD1 4.35Å; F396-L515 HydrophobicContact CG-CD2 3.87Å; F396-L515 HydrophobicContact CG-CG 4.44Å; F396-L515 HydrophobicContact CZ-CB 3.91Å; I408-L515 PolarHBondContact O-N 3.34Å; L409-L515 HydrophobicContact CD1-CB 4.29Å; L409-L515 HydrophobicContact CD1-CD2 4Å; L409-L515 HydrophobicContact CD1-CG 4.06Å; I410-L515 PolarHBondContact N-O 3.28Å; L426-L515 HydrophobicContact CD2-CD2 4.17Å; F432-L515 HydrophobicContact CZ-CD2 4.41Å; L515-T517 HydrophobicContact CD1-CG2 4.35Å; L515-T517 HydrophobicContact CD2-CG2 4.07Å; L515-T517 HydrophobicContact CG-CG2 3.96Å
516	V	98.1	Very high	83.7	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	114	170	-167	0	0	0	0	108	H379 L380 D381 I410 V514 L522 L523 A526	H379-V516 PolarHBondContact O-N 3.49Å; L380-V516 HydrophobicContact CD2-CB 3.78Å; L380-V516 HydrophobicContact CD2-CG2 3.75Å; D381-V516 PolarHBondContact N-O 3.44Å; D381-V516 VanDerWaalsContact N-O 3.15Å; I410-V516 HydrophobicContact CB-CG1 4.33Å; I410-V516 HydrophobicContact CB-CG2 4.26Å; I410-V516 HydrophobicContact CD1-CG2 4.27Å; I410-V516 HydrophobicContact CG2-CG1 4.25Å; I410-V516 WeakPolarHBondContact O-CA 3.41Å; V514-V516 HydrophobicContact CG1-CG2 4.26Å; V516-L522 HydrophobicContact CG1-CD2 3.95Å; V516-L522 HydrophobicContact CG1-CG 3.87Å; V516-L523 HydrophobicContact CB-CD2 3.92Å; V516-L523 HydrophobicContact CG1-CD2 3.7Å; V516-L523 WeakPolarHBondContact O-CD2 3.49Å; V516-A526 HydrophobicContact CG1-CB 3.87Å; V516-A526 HydrophobicContact CG2-CB 4.42Å
517	T	97.5	Very high	85.4	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	173.2	-176.3	-166.8	0	0	0	0	113.5	D381 M389 L409 I410 F411 L426 L515 L522	D381-T517 VanDerWaalsContact O-CA 3.26Å; D381-T517 WeakPolarHBondContact O-CA 3.37Å; D381-T517 WeakPolarHBondContact O-CB 3.47Å; D381-T517 PolarHBondContact O-OG1 3.4Å; D381-T517 VanDerWaalsContact O-OG1 3.11Å; M389-T517 HydrophobicContact CE-CG2 4.05Å; M389-T517 HydrophobicContact SD-CG2 4.04Å; L409-T517 HydrophobicContact CD1-CG2 4.06Å; I410-T517 PolarHBondContact O-N 3.08Å; I410-T517 VanDerWaalsContact O-N 3.13Å; F411-T517 HydrophobicContact CD2-CG2 4Å; F411-T517 WeakPolarHBondContact CD2-O 3.46Å; L426-T517 HydrophobicContact CD2-CG2 4.16Å; L515-T517 HydrophobicContact CD1-CG2 4.35Å; L515-T517 HydrophobicContact CD2-CG2 4.07Å; L515-T517 HydrophobicContact CG-CG2 3.96Å; T517-L522 WeakPolarHBondContact O-CD2 3.46Å
518	G	93.3	Very high	87.1	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.137	C	C	.	.	S	Bend	trans	104.1	-18.5	178.5	0	0	0	0	0	114.4	A383 H384 N412	A383-G518 CarbonylContact O-C 3.6Å; A383-G518 WeakPolarHBondContact O-CA 3.27Å; A383-G518 PolarHBondContact O-N 2.99Å; H384-G518 WeakPolarHBondContact CB-O 3.44Å; N412-G518 CarbonylContact O-C 3.54Å; N412-G518 WeakPolarHBondContact O-CA 3.26Å; N412-G518 VanDerWaalsContact O-O 3.08Å
519	S	90.8	Very high	89.2	Confident	4 Å²	4	18.8 Å²	18.8	3%	0.028	10%	0.099	C	C	.	.			trans	-164.3	141.2	175.5	-171.8	0	0	0	0	112.3	N412 H521 L522 L523	N412-S519 PolarHBondContact O-N 3.22Å; S519-H521 VanDerWaalsContact C-N 3.28Å; S519-H521 PolarHBondContact O-N 2.95Å; S519-H521 PolarHBondContact OG-N 3.23Å; S519-L522 WeakPolarHBondContact O-CB 3.15Å; S519-L522 PolarHBondContact O-N 2.86Å; S519-L523 PolarHBondContact O-N 3.13Å
520	I	90.1	Very high	91	Very high	17 Å²	17	9 Å²	9	9%	0.087	5%	0.054	C	C	.	.	H	α-helix	trans	-60.7	-38.4	169.8	-73.3	171.7	0	0	0	111.6	P150 H151 I152 L522 L523 G524	P150-I520 HydrophobicContact CG-CB 4.37Å; P150-I520 HydrophobicContact CG-CD1 3.75Å; P150-I520 HydrophobicContact CG-CG2 4.16Å; H151-I520 WeakPolarHBondContact O-CG2 3.33Å; I152-I520 HydrophobicContact CB-CG2 4.46Å; I152-I520 HydrophobicContact CG1-CG2 3.99Å; I520-L522 PolarHBondContact O-N 3.16Å; I520-L523 WeakPolarHBondContact O-CB 3.26Å; I520-L523 PolarHBondContact O-N 3.37Å; I520-L523 VanDerWaalsContact O-N 3.11Å; I520-G524 PolarHBondContact O-N 3.1Å
521	H	89.9	Confident	92.4	Very high	56 Å²	56	9.3 Å²	9.3	26%	0.259	5%	0.048	S	C	.	.	H	α-helix	trans	-66.2	-30.3	178.6	-61.2	-63	0	0	0	112.1	N440 M453 S519 L523 G524 A525	N440-H521 HydrophobicContact CB-CB 4.19Å; M453-H521 VanDerWaalsContact CE-CD2 3.45Å; M453-H521 WeakPolarHBondContact CE-CD2 3.43Å; M453-H521 HydrophobicContact SD-CB 3.89Å; S519-H521 VanDerWaalsContact C-N 3.28Å; S519-H521 PolarHBondContact O-N 2.95Å; S519-H521 PolarHBondContact OG-N 3.23Å; H521-L523 VanDerWaalsContact C-N 3.33Å; H521-G524 PolarHBondContact O-N 3.43Å; H521-A525 WeakPolarHBondContact O-CB 3.4Å; H521-A525 PolarHBondContact O-N 3.42Å
522	L	93.3	Very high	92.5	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-64.7	-40.1	172.9	-176.2	65.5	0	0	0	111.1	I410 N412 V438 N440 L491 V516 T517 S519 I520 A525 A526	I410-L522 HydrophobicContact CG2-CD1 4.48Å; I410-L522 HydrophobicContact CG2-CD2 4.38Å; N412-L522 HydrophobicContact CB-CD1 4.17Å; N412-L522 HydrophobicContact CB-CD2 4.05Å; V438-L522 HydrophobicContact CG2-CD1 3.63Å; N440-L522 WeakPolarHBondContact OD1-CB 3.21Å; L491-L522 HydrophobicContact CD1-CD1 4.2Å; L491-L522 HydrophobicContact CD2-CD1 3.8Å; L491-L522 HydrophobicContact CG-CD1 4.37Å; V516-L522 HydrophobicContact CG1-CD2 3.95Å; V516-L522 HydrophobicContact CG1-CG 3.87Å; T517-L522 WeakPolarHBondContact O-CD2 3.46Å; S519-L522 WeakPolarHBondContact O-CB 3.15Å; S519-L522 PolarHBondContact O-N 2.86Å; I520-L522 PolarHBondContact O-N 3.16Å; L522-A525 PolarHBondContact O-N 3.2Å; L522-A526 WeakPolarHBondContact O-CB 3.49Å; L522-A526 PolarHBondContact O-N 3.43Å
523	L	94.3	Very high	92	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.005	6%	0.055	C	C	.	.	H	α-helix	trans	-60.6	-48.3	176.9	-55.5	-164.9	0	0	0	111	I152 L380 V516 S519 I520 H521 A525 A526 I527	I152-L523 HydrophobicContact CG2-CB 4.1Å; L380-L523 HydrophobicContact CB-CD1 4.24Å; L380-L523 HydrophobicContact CB-CD2 4.38Å; L380-L523 HydrophobicContact CD2-CD2 4.48Å; V516-L523 HydrophobicContact CB-CD2 3.92Å; V516-L523 HydrophobicContact CG1-CD2 3.7Å; V516-L523 WeakPolarHBondContact O-CD2 3.49Å; S519-L523 PolarHBondContact O-N 3.13Å; I520-L523 WeakPolarHBondContact O-CB 3.26Å; I520-L523 PolarHBondContact O-N 3.37Å; I520-L523 VanDerWaalsContact O-N 3.11Å; H521-L523 VanDerWaalsContact C-N 3.33Å; L523-A525 VanDerWaalsContact C-N 3.34Å; L523-A525 PolarHBondContact O-N 3.15Å; L523-A526 PolarHBondContact O-N 3.02Å; L523-I527 WeakPolarHBondContact O-CD1 3.36Å; L523-I527 VanDerWaalsContact O-CG1 3.26Å; L523-I527 WeakPolarHBondContact O-CG1 3.48Å; L523-I527 PolarHBondContact O-N 3.31Å
524	G	91.1	Very high	90.9	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.01	7%	0.066	C	C	.	.	H	α-helix	trans	-58.4	-44.5	176.8	0	0	0	0	0	112.8	I152 L153 I520 H521 S528	I152-G524 VanDerWaalsContact O-CA 3.32Å; I152-G524 WeakPolarHBondContact O-CA 3.27Å; L153-G524 WeakPolarHBondContact CD2-O 3.19Å; I520-G524 PolarHBondContact O-N 3.1Å; H521-G524 PolarHBondContact O-N 3.43Å; G524-S528 WeakPolarHBondContact O-CB 3.45Å; G524-S528 PolarHBondContact O-N 3.5Å; G524-S528 VanDerWaalsContact O-N 3.07Å; G524-S528 PolarHBondContact O-OG 3.27Å
525	A	91.5	Very high	89.6	Confident	4 Å²	4	15.5 Å²	15.5	3%	0.033	8%	0.082	C	C	.	.	H	α-helix	trans	-63.6	-40.6	175.9	0	0	0	0	0	112.5	A442 L491 H521 L522 L523 S528 A529	A442-A525 WeakPolarHBondContact CB-O 3.44Å; L491-A525 HydrophobicContact CD2-CB 4.29Å; L491-A525 HydrophobicContact CG-CB 4.34Å; H521-A525 WeakPolarHBondContact O-CB 3.4Å; H521-A525 PolarHBondContact O-N 3.42Å; L522-A525 PolarHBondContact O-N 3.2Å; L523-A525 VanDerWaalsContact C-N 3.34Å; L523-A525 PolarHBondContact O-N 3.15Å; A525-S528 PolarHBondContact O-N 2.97Å; A525-A529 WeakPolarHBondContact O-CB 3.4Å; A525-A529 PolarHBondContact O-N 2.9Å
526	A	93.4	Very high	87.4	Confident	2 Å²	2	20.3 Å²	20.3	2%	0.017	11%	0.114	C	C	.	.	H	α-helix	trans	-65.8	-45.2	179	0	0	0	0	0	111.9	L491 F495 V516 L522 L523 S528 A529 L530	L491-A526 HydrophobicContact CD1-CB 3.94Å; L491-A526 HydrophobicContact CG-CB 4.31Å; F495-A526 HydrophobicContact CE2-CB 4.07Å; F495-A526 HydrophobicContact CZ-CB 4.21Å; V516-A526 HydrophobicContact CG1-CB 3.87Å; V516-A526 HydrophobicContact CG2-CB 4.42Å; L522-A526 WeakPolarHBondContact O-CB 3.49Å; L522-A526 PolarHBondContact O-N 3.43Å; L523-A526 PolarHBondContact O-N 3.02Å; A526-S528 VanDerWaalsContact C-N 3.3Å; A526-S528 PolarHBondContact O-N 3.41Å; A526-A529 PolarHBondContact O-N 2.72Å; A526-L530 WeakPolarHBondContact O-CG 3.34Å; A526-L530 PolarHBondContact O-N 3.32Å; A526-L530 VanDerWaalsContact O-N 3.1Å
527	I	91.8	Very high	85	Confident	2 Å²	2	27.9 Å²	27.9	1%	0.01	15%	0.147	C	C	.	.	H	α-helix	trans	-60.8	-44.2	177.2	-65.2	156.6	0	0	0	110.5	L30 A31 V34 I152 L153 L380 L523 L530 D531	L30-I527 HydrophobicContact CB-CG2 4.23Å; L30-I527 HydrophobicContact CD2-CB 4.42Å; L30-I527 HydrophobicContact CD2-CG1 4.48Å; L30-I527 HydrophobicContact CD2-CG2 4.13Å; L30-I527 HydrophobicContact CG-CG2 3.93Å; A31-I527 HydrophobicContact CB-CG2 4.09Å; V34-I527 HydrophobicContact CB-CD1 4.12Å; V34-I527 HydrophobicContact CG1-CD1 3.71Å; V34-I527 HydrophobicContact CG2-CD1 3.69Å; V34-I527 HydrophobicContact CG2-CG1 3.85Å; V34-I527 HydrophobicContact CG2-CG2 4.2Å; I152-I527 HydrophobicContact CG2-CD1 4.16Å; L153-I527 HydrophobicContact CD1-CB 4.27Å; L153-I527 HydrophobicContact CD1-CD1 4.03Å; L153-I527 HydrophobicContact CD1-CG2 3.76Å; L153-I527 HydrophobicContact CD2-CB 4.2Å; L153-I527 HydrophobicContact CD2-CG2 4.26Å; L153-I527 HydrophobicContact CG-CD1 4.42Å; L380-I527 HydrophobicContact CD1-CD1 4.41Å; L380-I527 HydrophobicContact CD1-CG1 4.37Å; L523-I527 WeakPolarHBondContact O-CD1 3.36Å; L523-I527 VanDerWaalsContact O-CG1 3.26Å; L523-I527 WeakPolarHBondContact O-CG1 3.48Å; L523-I527 PolarHBondContact O-N 3.31Å; I527-L530 PolarHBondContact O-N 3.4Å; I527-D531 PolarHBondContact O-N 2.73Å
528	S	89.8	Confident	82.5	Confident	12 Å²	12	30.8 Å²	30.8	8%	0.084	17%	0.167	C	C	.	.	H	α-helix	trans	-67.6	-38.5	-179.4	-55.2	0	0	0	0	112.6	L153 Q451 G524 A525 A526 L530 D531 L532	L153-S528 WeakPolarHBondContact CD2-OG 3.49Å; Q451-S528 PolarHBondContact NE2-OG 2.96Å; G524-S528 WeakPolarHBondContact O-CB 3.45Å; G524-S528 PolarHBondContact O-N 3.5Å; G524-S528 VanDerWaalsContact O-N 3.07Å; G524-S528 PolarHBondContact O-OG 3.27Å; A525-S528 PolarHBondContact O-N 2.97Å; A526-S528 VanDerWaalsContact C-N 3.3Å; A526-S528 PolarHBondContact O-N 3.41Å; S528-L530 VanDerWaalsContact C-N 3.3Å; S528-L530 PolarHBondContact O-N 2.81Å; S528-D531 PolarHBondContact O-N 2.98Å; S528-L532 VanDerWaalsContact O-CD1 3.31Å; S528-L532 WeakPolarHBondContact O-CD1 3.47Å; S528-L532 VanDerWaalsContact O-CG 3.23Å; S528-L532 WeakPolarHBondContact O-CG 3.46Å; S528-L532 PolarHBondContact O-N 3.48Å; S528-L532 VanDerWaalsContact O-N 3.08Å
529	A	90.2	Very high	80	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60.8	-41.9	174.5	0	0	0	0	0	111.5	A442 L491 F495 A525 A526 L532 I533	A442-A529 HydrophobicContact CB-CB 4.21Å; L491-A529 HydrophobicContact CB-CB 3.53Å; F495-A529 HydrophobicContact CD2-CB 4.1Å; F495-A529 HydrophobicContact CE2-CB 4.33Å; A525-A529 WeakPolarHBondContact O-CB 3.4Å; A525-A529 PolarHBondContact O-N 2.9Å; A526-A529 PolarHBondContact O-N 2.72Å; A529-L532 PolarHBondContact O-N 3.3Å; A529-I533 WeakPolarHBondContact O-CD1 3.42Å; A529-I533 VanDerWaalsContact O-CG1 3.22Å; A529-I533 WeakPolarHBondContact O-CG1 3.08Å; A529-I533 PolarHBondContact O-N 3.24Å; A529-I533 VanDerWaalsContact O-N 3.11Å
530	L	89.7	Confident	77.2	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-67.8	-39.6	178.6	-73	175	0	0	0	112.8	L30 M376 L378 F495 A526 I527 S528 L532 I533 D534	L30-L530 HydrophobicContact CD2-CB 3.61Å; L30-L530 HydrophobicContact CD2-CD1 3.44Å; L30-L530 VanDerWaalsContact CD2-CD1 3.44Å; L30-L530 HydrophobicContact CD2-CG 4.17Å; M376-L530 HydrophobicContact CE-CD2 3.67Å; L378-L530 HydrophobicContact CD1-CD1 3.5Å; L378-L530 HydrophobicContact CD2-CD1 4.24Å; F495-L530 HydrophobicContact CB-CD2 4.38Å; F495-L530 HydrophobicContact CD1-CD2 3.73Å; F495-L530 HydrophobicContact CD1-CG 4.45Å; F495-L530 HydrophobicContact CD2-CD2 3.83Å; F495-L530 HydrophobicContact CD2-CG 3.97Å; F495-L530 HydrophobicContact CE1-CD1 4.12Å; F495-L530 HydrophobicContact CE1-CD2 3.87Å; F495-L530 HydrophobicContact CE1-CG 4.19Å; F495-L530 HydrophobicContact CE2-CD1 4.11Å; F495-L530 HydrophobicContact CE2-CD2 3.97Å; F495-L530 HydrophobicContact CE2-CG 3.68Å; F495-L530 HydrophobicContact CG-CD2 3.72Å; F495-L530 HydrophobicContact CG-CG 4.36Å; F495-L530 HydrophobicContact CZ-CD1 3.75Å; F495-L530 HydrophobicContact CZ-CD2 3.99Å; F495-L530 HydrophobicContact CZ-CG 3.8Å; A526-L530 WeakPolarHBondContact O-CG 3.34Å; A526-L530 PolarHBondContact O-N 3.32Å; A526-L530 VanDerWaalsContact O-N 3.1Å; I527-L530 PolarHBondContact O-N 3.4Å; S528-L530 VanDerWaalsContact C-N 3.3Å; S528-L530 PolarHBondContact O-N 2.81Å; L530-L532 VanDerWaalsContact C-N 3.33Å; L530-L532 PolarHBondContact O-N 3.33Å; L530-I533 PolarHBondContact O-N 3.46Å; L530-D534 PolarHBondContact O-N 3.35Å
531	D	87.6	Confident	74.4	Confident	36 Å²	36	50.7 Å²	50.7	19%	0.193	26%	0.264	C	S	.	.	H	α-helix	trans	-62.7	-38.4	173.4	-82.4	-28.4	0	0	0	112.3	S29 L30 A31 I527 S528 D534 D535	S29-D531 WeakPolarHBondContact CB-OD1 3.34Å; L30-D531 WeakPolarHBondContact CA-OD1 3.18Å; L30-D531 VanDerWaalsContact CB-OD1 3.28Å; L30-D531 WeakPolarHBondContact CB-OD1 3.3Å; L30-D531 PolarHBondContact N-OD1 2.85Å; A31-D531 VanDerWaalsContact CB-OD2 3.27Å; A31-D531 WeakPolarHBondContact CB-OD2 3.34Å; A31-D531 PolarHBondContact N-OD2 2.95Å; I527-D531 PolarHBondContact O-N 2.73Å; S528-D531 PolarHBondContact O-N 2.98Å; D531-D534 PolarHBondContact O-N 3.39Å; D531-D535 PolarHBondContact O-N 2.99Å; D531-D535 VanDerWaalsContact O-N 3.14Å
532	L	85.1	Confident	71.6	Confident	52 Å²	52	60.9 Å²	60.9	27%	0.272	31%	0.307	S	S	.	.	H	α-helix	trans	-69.8	-36	178.9	-71.1	161	0	0	0	113.4	A442 T443 N447 S528 A529 L530 D534 D535 S538	A442-L532 HydrophobicContact CB-CD1 4.43Å; T443-L532 HydrophobicContact CG2-CD1 4.02Å; N447-L532 HydrophobicContact CB-CD1 4.28Å; N447-L532 WeakPolarHBondContact ND2-CD1 3.4Å; S528-L532 VanDerWaalsContact O-CD1 3.31Å; S528-L532 WeakPolarHBondContact O-CD1 3.47Å; S528-L532 VanDerWaalsContact O-CG 3.23Å; S528-L532 WeakPolarHBondContact O-CG 3.46Å; S528-L532 PolarHBondContact O-N 3.48Å; S528-L532 VanDerWaalsContact O-N 3.08Å; A529-L532 PolarHBondContact O-N 3.3Å; L530-L532 VanDerWaalsContact C-N 3.33Å; L530-L532 PolarHBondContact O-N 3.33Å; L532-D534 PolarHBondContact O-N 3.46Å; L532-D535 PolarHBondContact O-N 2.86Å; L532-S538 WeakPolarHBondContact O-CB 3.46Å; L532-S538 PolarHBondContact O-OG 3.47Å
533	I	82.3	Confident	70.5	Confident	25 Å²	25	63.9 Å²	63.9	13%	0.128	32%	0.323	C	S	.	.	H	α-helix	trans	-62.9	-26.3	175.9	-72.2	164.8	0	0	0	111	T492 F495 A529 L530	T492-I533 HydrophobicContact CG2-CD1 4.31Å; T492-I533 HydrophobicContact CG2-CG1 4.09Å; F495-I533 HydrophobicContact CB-CD1 3.71Å; F495-I533 HydrophobicContact CG-CD1 4.49Å; A529-I533 WeakPolarHBondContact O-CD1 3.42Å; A529-I533 VanDerWaalsContact O-CG1 3.22Å; A529-I533 WeakPolarHBondContact O-CG1 3.08Å; A529-I533 PolarHBondContact O-N 3.24Å; A529-I533 VanDerWaalsContact O-N 3.11Å; L530-I533 PolarHBondContact O-N 3.46Å
534	D	73.8	Confident	69.3	Low	46 Å²	46	67.2 Å²	67.2	25%	0.246	34%	0.339	C	S	.	.	H	α-helix	trans	-92.2	-20.1	179.9	-89	20.3	0	0	0	114.4	W373 H374 L530 D531 L532 P536	W373-D534 VanDerWaalsContact CH2-OD2 3.31Å; W373-D534 WeakPolarHBondContact CH2-OD2 3.29Å; W373-D534 HydrophobicContact CZ2-CB 4.26Å; W373-D534 WeakPolarHBondContact CZ2-OD2 3.26Å; H374-D534 IonicContact CD2-OD1 3.76Å; H374-D534 PolarHBondContact CD2-OD1 2.99Å; H374-D534 IonicContact CD2-OD2 2.72Å; H374-D534 PolarHBondContact CD2-OD2 2.78Å; H374-D534 IonicContact CE1-OD2 3.9Å; H374-D534 VanDerWaalsContact NE2-CG 3.3Å; H374-D534 IonicContact NE2-OD1 2.74Å; H374-D534 PolarHBondContact NE2-OD1 3.48Å; H374-D534 IonicContact NE2-OD2 2.82Å; H374-D534 PolarHBondContact NE2-OD2 2.84Å; L530-D534 PolarHBondContact O-N 3.35Å; D531-D534 PolarHBondContact O-N 3.39Å; L532-D534 PolarHBondContact O-N 3.46Å; D534-P536 VanDerWaalsContact O-CD 3.24Å; D534-P536 WeakPolarHBondContact O-CD 3.37Å; D534-P536 VanDerWaalsContact O-N 3.14Å
535	D	69.4	Low	68	Low	64 Å²	64	70.9 Å²	70.9	34%	0.342	36%	0.358	S	S	.	.			trans	-59.9	117.1	179.8	-170.2	-18.6	0	0	0	110	D531 L532 K537 S538	D531-D535 PolarHBondContact O-N 2.99Å; D531-D535 VanDerWaalsContact O-N 3.14Å; L532-D535 PolarHBondContact O-N 2.86Å; D535-K537 PolarHBondContact O-N 2.87Å; D535-K537 WeakPolarHBondContact OD1-CB 3.4Å; D535-K537 PolarHBondContact OD1-N 3.21Å; D535-S538 PolarHBondContact O-N 2.96Å; D535-S538 PolarHBondContact O-OG 3.48Å
536	P	51.6	Low	66.7	Low	102 Å²	102	74.8 Å²	74.8	66%	0.662	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-54.4	-26.1	178.1	-24	32.8	0	0	0	113.3	D534 R539	D534-P536 VanDerWaalsContact O-CD 3.24Å; D534-P536 WeakPolarHBondContact O-CD 3.37Å; D534-P536 VanDerWaalsContact O-N 3.14Å; P536-R539 PolarHBondContact O-N 2.91Å
537	K	48.5	Very low	65	Low	160 Å²	160	79.4 Å²	79.4	70%	0.696	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-75.9	-19.4	178.5	-62.7	176.7	-178.9	172.5	0	113.7	D535 R539 T540	D535-K537 PolarHBondContact O-N 2.87Å; D535-K537 WeakPolarHBondContact OD1-CB 3.4Å; D535-K537 PolarHBondContact OD1-N 3.21Å; K537-R539 PolarHBondContact O-N 3.34Å; K537-T540 PolarHBondContact O-OG1 3.45Å
538	S	44.9	Very low	63.2	Low	61 Å²	61	84.5 Å²	84.5	43%	0.427	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-76.9	-12.8	174.3	74.1	0	0	0	0	112.5	L532 D535	L532-S538 WeakPolarHBondContact O-CB 3.46Å; L532-S538 PolarHBondContact O-OG 3.47Å; D535-S538 PolarHBondContact O-N 2.96Å; D535-S538 PolarHBondContact O-OG 3.48Å
539	R	40.6	Very low	61.3	Low	179 Å²	179	89.7 Å²	89.7	68%	0.675	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-86.8	-8	176.9	-64.3	-175.3	-178.4	-173.8	0.5	114.1	P536 K537	P536-R539 PolarHBondContact O-N 2.91Å; K537-R539 PolarHBondContact O-N 3.34Å
540	T	32.3	Very low	59.1	Low	108 Å²	108	96.6 Å²	96.6	66%	0.663	48%	0.484	S	S	*	.	S	Bend	trans	-93.3	-2.3	-175.4	42.5	0	0	0	0	115.6	K537	K537-T540 PolarHBondContact O-OG1 3.45Å
541	D	31.7	Very low	56.5	Low	151 Å²	151	104.5 Å²	104.5	81%	0.807	52%	0.524	S	S	*	.			trans	-109.1	34	178.3	-70.9	-19.9	0	0	0	113.3
542	K	30.8	Very low	53.7	Low	270 Å²	270	110.7 Å²	110.7	100%	1.174	55%	0.554	S	S	*	*			trans	-115.3	0	170	-82.7	-167.4	178.7	-178.2	0	112.7

Retrieved 542 of 542 residues in 343.8 ms (Link to these results)

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