A0A087Y103_POEFO Loading...

Sulfotransferase

AlphaFold DB , UniProt , Accession A0A087Y103, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 417 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.1	Very low	39.1	Very low	243 Å²	243	147.4 Å²	147.4	100%	1.197	81%	0.811	S	S	*	*				0	142.4	0	-64.3	173.8	-179.3	0	0	107.7
2	A	35.2	Very low	40.1	Very low	97 Å²	97	143.4 Å²	143.4	80%	0.802	80%	0.802	S	S	*	*			trans	52.6	134.6	178.1	0	0	0	0	0	117.4
3	F	38.4	Very low	41.6	Very low	189 Å²	189	147.2 Å²	147.2	83%	0.829	80%	0.804	S	S	*	*			cis	103.1	127.3	23.8	-91.6	-44	0	0	0	115.1
4	W	38.4	Very low	43.2	Very low	222 Å²	222	143.5 Å²	143.5	84%	0.841	79%	0.788	S	S	*	*			trans	74.1	148.9	159.3	-67.3	33.4	0	0	0	117.1
5	S	36.7	Very low	45.2	Very low	91 Å²	91	138.6 Å²	138.6	64%	0.636	77%	0.766	S	S	*	*			cis	-170.3	175.4	-22.6	-99.5	0	0	0	0	110.6
6	S	36.3	Very low	46.8	Very low	102 Å²	102	144.4 Å²	144.4	71%	0.713	77%	0.773	S	S	*	*			trans	87.9	102	151.4	-55.5	0	0	0	0	121.2
7	T	39.5	Very low	48	Very low	135 Å²	135	146.2 Å²	146.2	83%	0.828	77%	0.772	S	S	*	*				51.7	125.5	128	59.7	0	0	0	0	122
8	S	37	Very low	49.4	Very low	112 Å²	112	142.7 Å²	142.7	78%	0.783	75%	0.753	S	S	*	*				-158.7	159.8	94.5	60	0	0	0	0	111.9
9	V	44.4	Very low	50.7	Low	121 Å²	121	140.9 Å²	140.9	73%	0.733	74%	0.744	S	S	*	*			trans	-115.3	127.3	177.6	173.3	0	0	0	0	108.8	T11	V9-T11 HydrophobicContact CG1-CG2 4.3Å
10	F	39.8	Very low	51.9	Low	192 Å²	192	140.2 Å²	140.2	84%	0.842	73%	0.734	S	S	*	*			trans	-135.7	92.7	166.4	-105.8	-81.7	0	0	0	111.6	S12	F10-S12 PolarHBondContact O-N 2.72Å
11	T	50	Low	53.1	Low	117 Å²	117	138.6 Å²	138.6	72%	0.718	72%	0.724	S	S	*	*			trans	-90	76.2	172.7	44.3	0	0	0	0	110	V9 K13	V9-T11 HydrophobicContact CG1-CG2 4.3Å; T11-K13 VanDerWaalsContact C-N 3.3Å; T11-K13 PolarHBondContact O-N 2.73Å
12	S	51.3	Low	55.2	Low	100 Å²	100	133.6 Å²	133.6	70%	0.699	70%	0.696	S	S	*	*			trans	-68	81.7	-179.9	47.1	0	0	0	0	112.3	F10 V14	F10-S12 PolarHBondContact O-N 2.72Å; S12-V14 VanDerWaalsContact C-N 3.27Å; S12-V14 PolarHBondContact O-N 3.28Å
13	K	60	Low	57.3	Low	192 Å²	192	132.3 Å²	132.3	84%	0.835	68%	0.678	S	S	*	*			trans	-62	88	164.9	-72.9	178.3	178.6	172.7	0	109.3	T11 P15	T11-K13 VanDerWaalsContact C-N 3.3Å; T11-K13 PolarHBondContact O-N 2.73Å; K13-P15 WeakPolarHBondContact O-CD 3.25Å; K13-P15 VanDerWaalsContact O-N 3.14Å
14	V	63.2	Low	59.5	Low	96 Å²	96	127 Å²	127	58%	0.582	66%	0.658	S	S	*	*			trans	-51.6	120.5	172.1	179	0	0	0	0	107.8	S12 R16 I18	S12-V14 VanDerWaalsContact C-N 3.27Å; S12-V14 PolarHBondContact O-N 3.28Å; V14-R16 PolarHBondContact O-N 3.4Å; V14-I18 HydrophobicContact CG1-CB 4.14Å; V14-I18 HydrophobicContact CG1-CG2 4.11Å
15	P	74.3	Confident	61.7	Low	70 Å²	70	119.8 Å²	119.8	46%	0.455	64%	0.642	S	S	.	*			trans	-57.3	134.5	-178.4	-25.1	33	0	0	0	110.3	K13 K17 I18 L19	K13-P15 WeakPolarHBondContact O-CD 3.25Å; K13-P15 VanDerWaalsContact O-N 3.14Å; P15-K17 PolarHBondContact O-N 2.68Å; P15-I18 HydrophobicContact CB-CG1 4.26Å; P15-I18 HydrophobicContact CG-CD1 4.1Å; P15-I18 HydrophobicContact CG-CG1 4.29Å; P15-I18 PolarHBondContact O-N 2.78Å; P15-L19 PolarHBondContact O-N 3.07Å
16	R	69.5	Low	64	Low	231 Å²	231	121.2 Å²	121.2	87%	0.872	64%	0.641	S	S	*	*	H	α-helix	trans	-52.3	-29.7	176.5	-73.1	-178.4	175.4	168.4	-2.7	112.5	V14 F20	V14-R16 PolarHBondContact O-N 3.4Å; R16-F20 VanDerWaalsContact O-CB 3.26Å; R16-F20 WeakPolarHBondContact O-CB 3.42Å; R16-F20 PolarHBondContact O-N 2.75Å
17	K	68.6	Low	66.4	Low	176 Å²	176	120 Å²	120	77%	0.765	63%	0.633	S	S	*	*	H	α-helix	trans	-61.3	-41.3	172.1	-64.3	-171.6	177.6	-174.3	0	113.4	P15 M21	P15-K17 PolarHBondContact O-N 2.68Å; K17-M21 VanDerWaalsContact O-CG 3.25Å; K17-M21 WeakPolarHBondContact O-CG 3.18Å; K17-M21 PolarHBondContact O-N 3.36Å
18	I	72.7	Confident	68.7	Low	82 Å²	82	116.7 Å²	116.7	42%	0.421	61%	0.612	S	S	.	*	H	α-helix	trans	-69.9	-45.5	178.2	-65.4	-171.5	0	0	0	110.1	V14 P15 F20 M21 F22	V14-I18 HydrophobicContact CG1-CB 4.14Å; V14-I18 HydrophobicContact CG1-CG2 4.11Å; P15-I18 HydrophobicContact CB-CG1 4.26Å; P15-I18 HydrophobicContact CG-CD1 4.1Å; P15-I18 HydrophobicContact CG-CG1 4.29Å; P15-I18 PolarHBondContact O-N 2.78Å; I18-F20 VanDerWaalsContact C-N 3.3Å; I18-F20 PolarHBondContact O-N 3.45Å; I18-M21 PolarHBondContact O-N 3.25Å; I18-F22 HydrophobicContact CG2-CD2 3.79Å; I18-F22 HydrophobicContact CG2-CE2 3.67Å; I18-F22 WeakPolarHBondContact O-CD2 3.46Å; I18-F22 PolarHBondContact O-N 3.43Å
19	L	73	Confident	71	Confident	110 Å²	110	114.6 Å²	114.6	58%	0.576	60%	0.595	S	S	*	*	H	α-helix	trans	-59.1	-43.1	175.6	-172	65.9	0	0	0	111.4	P15 F22 T23	P15-L19 PolarHBondContact O-N 3.07Å; L19-F22 PolarHBondContact O-N 2.88Å; L19-T23 PolarHBondContact O-N 3.02Å; L19-T23 PolarHBondContact O-OG1 2.92Å
20	F	76.2	Confident	73.1	Confident	125 Å²	125	117 Å²	117	55%	0.548	59%	0.592	S	S	.	*	H	α-helix	trans	-62.6	-40.3	176.2	-176.1	-100.1	0	0	0	113.1	R16 I18 T23 L24	R16-F20 VanDerWaalsContact O-CB 3.26Å; R16-F20 WeakPolarHBondContact O-CB 3.42Å; R16-F20 PolarHBondContact O-N 2.75Å; I18-F20 VanDerWaalsContact C-N 3.3Å; I18-F20 PolarHBondContact O-N 3.45Å; F20-T23 WeakPolarHBondContact CA-OG1 3.41Å; F20-T23 PolarHBondContact O-N 3.02Å; F20-T23 PolarHBondContact O-OG1 3.41Å; F20-L24 HydrophobicContact CE1-CD2 4.42Å; F20-L24 VanDerWaalsContact O-CB 3.24Å; F20-L24 WeakPolarHBondContact O-CB 3.28Å; F20-L24 PolarHBondContact O-N 3.07Å
21	M	76.7	Confident	75.3	Confident	108 Å²	108	112.7 Å²	112.7	53%	0.532	58%	0.577	S	S	.	*	H	α-helix	trans	-63.7	-40.8	174.3	-71.9	-73.1	102.7	0	0	112	K17 I18 L24 S25	K17-M21 VanDerWaalsContact O-CG 3.25Å; K17-M21 WeakPolarHBondContact O-CG 3.18Å; K17-M21 PolarHBondContact O-N 3.36Å; I18-M21 PolarHBondContact O-N 3.25Å; M21-L24 HydrophobicContact CE-CD2 3.89Å; M21-L24 PolarHBondContact O-N 3.17Å; M21-S25 WeakPolarHBondContact O-CB 3.34Å; M21-S25 PolarHBondContact O-N 3.29Å
22	F	78.4	Confident	76.9	Confident	137 Å²	137	113.2 Å²	113.2	60%	0.601	57%	0.57	S	S	*	*	H	α-helix	trans	-66.2	-43.6	174.7	-82.1	-68.5	0	0	0	112.5	I18 L19 L24 S25 L26	I18-F22 HydrophobicContact CG2-CD2 3.79Å; I18-F22 HydrophobicContact CG2-CE2 3.67Å; I18-F22 WeakPolarHBondContact O-CD2 3.46Å; I18-F22 PolarHBondContact O-N 3.43Å; L19-F22 PolarHBondContact O-N 2.88Å; F22-L24 VanDerWaalsContact C-N 3.34Å; F22-L24 PolarHBondContact O-N 2.81Å; F22-S25 PolarHBondContact O-N 3.29Å; F22-L26 PolarHBondContact O-N 2.89Å
23	T	78.9	Confident	78.3	Confident	70 Å²	70	117.2 Å²	117.2	43%	0.429	57%	0.571	S	S	.	*	H	α-helix	trans	-64.6	-38.6	175.2	51.6	0	0	0	0	112.1	L19 F20 L26 S27	L19-T23 PolarHBondContact O-N 3.02Å; L19-T23 PolarHBondContact O-OG1 2.92Å; F20-T23 WeakPolarHBondContact CA-OG1 3.41Å; F20-T23 PolarHBondContact O-N 3.02Å; F20-T23 PolarHBondContact O-OG1 3.41Å; T23-L26 PolarHBondContact O-N 3.15Å; T23-S27 WeakPolarHBondContact O-CB 3.44Å; T23-S27 PolarHBondContact O-N 3.18Å; T23-S27 PolarHBondContact O-OG 3.19Å; T23-S27 VanDerWaalsContact O-OG 3.07Å
24	L	84.4	Confident	79.1	Confident	79 Å²	79	110 Å²	110	41%	0.414	55%	0.545	S	S	.	.	H	α-helix	trans	-65.1	-42.4	176.6	-175.6	64.6	0	0	0	111.3	F20 M21 F22 S27 V28	F20-L24 HydrophobicContact CE1-CD2 4.42Å; F20-L24 VanDerWaalsContact O-CB 3.24Å; F20-L24 WeakPolarHBondContact O-CB 3.28Å; F20-L24 PolarHBondContact O-N 3.07Å; M21-L24 HydrophobicContact CE-CD2 3.89Å; M21-L24 PolarHBondContact O-N 3.17Å; F22-L24 VanDerWaalsContact C-N 3.34Å; F22-L24 PolarHBondContact O-N 2.81Å; L24-S27 PolarHBondContact O-N 2.84Å; L24-V28 HydrophobicContact CD1-CG2 4.47Å; L24-V28 WeakPolarHBondContact O-CB 3.13Å; L24-V28 VanDerWaalsContact O-CG2 3.29Å; L24-V28 WeakPolarHBondContact O-CG2 3.46Å; L24-V28 PolarHBondContact O-N 3.31Å
25	S	85.8	Confident	79.8	Confident	70 Å²	70	110 Å²	110	49%	0.49	54%	0.541	S	S	.	.	H	α-helix	trans	-62.1	-42.6	175.2	-173.2	0	0	0	0	112.4	M21 F22 V28 T29	M21-S25 WeakPolarHBondContact O-CB 3.34Å; M21-S25 PolarHBondContact O-N 3.29Å; F22-S25 PolarHBondContact O-N 3.29Å; S25-V28 PolarHBondContact O-N 3.37Å; S25-T29 WeakPolarHBondContact O-CB 3.35Å; S25-T29 WeakPolarHBondContact O-CG2 3.26Å; S25-T29 PolarHBondContact O-N 3.27Å; S25-T29 PolarHBondContact O-OG1 2.86Å
26	L	84.9	Confident	79.7	Confident	120 Å²	120	111.7 Å²	111.7	63%	0.628	54%	0.544	S	S	*	.	H	α-helix	trans	-64.4	-42.3	173.6	-89.1	156.6	0	0	0	112.6	F22 T23 T29 Y30	F22-L26 PolarHBondContact O-N 2.89Å; T23-L26 PolarHBondContact O-N 3.15Å; L26-T29 WeakPolarHBondContact CA-OG1 3.43Å; L26-T29 PolarHBondContact O-OG1 3.28Å; L26-Y30 VanDerWaalsContact O-CB 3.28Å; L26-Y30 WeakPolarHBondContact O-CB 3.49Å; L26-Y30 PolarHBondContact O-N 3.18Å
27	S	86.8	Confident	79.6	Confident	78 Å²	78	104.1 Å²	104.1	55%	0.545	53%	0.527	S	S	.	.	H	α-helix	trans	-65	-40.7	175.4	-64	0	0	0	0	112.6	T23 L24 L31	T23-S27 WeakPolarHBondContact O-CB 3.44Å; T23-S27 PolarHBondContact O-N 3.18Å; T23-S27 PolarHBondContact O-OG 3.19Å; T23-S27 VanDerWaalsContact O-OG 3.07Å; L24-S27 PolarHBondContact O-N 2.84Å; S27-L31 WeakPolarHBondContact O-CB 3.4Å; S27-L31 PolarHBondContact O-N 3.14Å
28	V	86.8	Confident	79.2	Confident	65 Å²	65	98.9 Å²	98.9	39%	0.394	51%	0.511	S	S	.	.	H	α-helix	trans	-68.4	-44.5	177.6	168.9	0	0	0	0	111	L24 S25 L31 F32	L24-V28 HydrophobicContact CD1-CG2 4.47Å; L24-V28 WeakPolarHBondContact O-CB 3.13Å; L24-V28 VanDerWaalsContact O-CG2 3.29Å; L24-V28 WeakPolarHBondContact O-CG2 3.46Å; L24-V28 PolarHBondContact O-N 3.31Å; S25-V28 PolarHBondContact O-N 3.37Å; V28-L31 WeakPolarHBondContact O-CB 3.38Å; V28-L31 PolarHBondContact O-N 2.85Å; V28-F32 HydrophobicContact CG1-CD2 3.81Å; V28-F32 HydrophobicContact CG1-CE2 3.89Å; V28-F32 WeakPolarHBondContact O-CD2 3.27Å; V28-F32 PolarHBondContact O-N 3.15Å
29	T	86.1	Confident	78.9	Confident	68 Å²	68	102.1 Å²	102.1	42%	0.417	52%	0.519	S	S	.	.	H	α-helix	trans	-66.2	-38	176.1	46.4	0	0	0	0	112.3	S25 L26 F32 Y33	S25-T29 WeakPolarHBondContact O-CB 3.35Å; S25-T29 WeakPolarHBondContact O-CG2 3.26Å; S25-T29 PolarHBondContact O-N 3.27Å; S25-T29 PolarHBondContact O-OG1 2.86Å; L26-T29 WeakPolarHBondContact CA-OG1 3.43Å; L26-T29 PolarHBondContact O-OG1 3.28Å; T29-F32 PolarHBondContact O-N 2.96Å; T29-Y33 WeakPolarHBondContact O-CD2 3.1Å; T29-Y33 PolarHBondContact O-N 3.49Å
30	Y	87.8	Confident	77.9	Confident	172 Å²	172	102.2 Å²	102.2	68%	0.675	52%	0.52	S	S	*	.	H	α-helix	trans	-62.7	-43	171.7	-169.7	-92.8	0	0	0	111.7	L26 F32 Y33 S34	L26-Y30 VanDerWaalsContact O-CB 3.28Å; L26-Y30 WeakPolarHBondContact O-CB 3.49Å; L26-Y30 PolarHBondContact O-N 3.18Å; Y30-F32 PolarHBondContact O-N 2.87Å; Y30-Y33 PolarHBondContact O-N 2.97Å; Y30-S34 WeakPolarHBondContact CE1-OG 3.23Å; Y30-S34 WeakPolarHBondContact O-CB 3.46Å; Y30-S34 PolarHBondContact O-N 3.14Å; Y30-S34 PolarHBondContact O-OG 3.17Å
31	L	86.4	Confident	77	Confident	100 Å²	100	100.8 Å²	100.8	52%	0.524	53%	0.526	S	S	.	.	H	α-helix	trans	-60.7	-43.6	174.5	-177.7	65.9	0	0	0	111.9	S27 V28 S34 L35	S27-L31 WeakPolarHBondContact O-CB 3.4Å; S27-L31 PolarHBondContact O-N 3.14Å; V28-L31 WeakPolarHBondContact O-CB 3.38Å; V28-L31 PolarHBondContact O-N 2.85Å; L31-S34 PolarHBondContact O-N 2.83Å; L31-L35 HydrophobicContact CD1-CD1 4.37Å; L31-L35 HydrophobicContact CD1-CG 4.45Å; L31-L35 HydrophobicContact CG-CD1 4.05Å; L31-L35 WeakPolarHBondContact O-CB 3.4Å; L31-L35 VanDerWaalsContact O-CG 3.26Å; L31-L35 WeakPolarHBondContact O-CG 3.44Å; L31-L35 PolarHBondContact O-N 3.24Å
32	F	82.4	Confident	75.5	Confident	128 Å²	128	101.3 Å²	101.3	56%	0.561	53%	0.53	S	S	*	.	H	α-helix	trans	-63.3	-41.4	174.5	-91.3	-77.2	0	0	0	112.4	V28 T29 Y30 L35 M36	V28-F32 HydrophobicContact CG1-CD2 3.81Å; V28-F32 HydrophobicContact CG1-CE2 3.89Å; V28-F32 WeakPolarHBondContact O-CD2 3.27Å; V28-F32 PolarHBondContact O-N 3.15Å; T29-F32 PolarHBondContact O-N 2.96Å; Y30-F32 PolarHBondContact O-N 2.87Å; F32-L35 PolarHBondContact O-N 2.9Å; F32-M36 WeakPolarHBondContact O-CB 3.37Å; F32-M36 VanDerWaalsContact O-CG 3.3Å; F32-M36 WeakPolarHBondContact O-CG 3.28Å; F32-M36 PolarHBondContact O-N 3.29Å
33	Y	81.1	Confident	73.7	Confident	184 Å²	184	100.4 Å²	100.4	72%	0.722	53%	0.528	S	S	*	.	H	α-helix	trans	-64.7	-40.6	173.7	-97.6	-83.6	0	0	0	112.4	T29 Y30 M36 S37	T29-Y33 WeakPolarHBondContact O-CD2 3.1Å; T29-Y33 PolarHBondContact O-N 3.49Å; Y30-Y33 PolarHBondContact O-N 2.97Å; Y33-M36 PolarHBondContact O-N 2.64Å; Y33-S37 VanDerWaalsContact O-CB 3.27Å; Y33-S37 WeakPolarHBondContact O-CB 3.39Å; Y33-S37 PolarHBondContact O-N 3.02Å
34	S	77.3	Confident	71.8	Confident	41 Å²	41	104.7 Å²	104.7	29%	0.287	54%	0.541	S	S	.	.	H	α-helix	trans	-63.5	-42.1	173.4	-59.8	0	0	0	0	111.6	Y30 L31 S37 C38	Y30-S34 WeakPolarHBondContact CE1-OG 3.23Å; Y30-S34 WeakPolarHBondContact O-CB 3.46Å; Y30-S34 PolarHBondContact O-N 3.14Å; Y30-S34 PolarHBondContact O-OG 3.17Å; L31-S34 PolarHBondContact O-N 2.83Å; S34-S37 PolarHBondContact O-N 3.33Å; S34-C38 VanDerWaalsContact O-CB 3.31Å; S34-C38 WeakPolarHBondContact O-CB 3.42Å; S34-C38 PolarHBondContact O-N 3.37Å; S34-C38 PolarHBondContact O-SG 2.99Å
35	L	77	Confident	69.6	Low	96 Å²	96	105.2 Å²	105.2	50%	0.503	55%	0.549	S	S	.	.	H	α-helix	trans	-67.5	-38	177	-73.5	169.6	0	0	0	112.5	L31 F32 Y39	L31-L35 HydrophobicContact CD1-CD1 4.37Å; L31-L35 HydrophobicContact CD1-CG 4.45Å; L31-L35 HydrophobicContact CG-CD1 4.05Å; L31-L35 WeakPolarHBondContact O-CB 3.4Å; L31-L35 VanDerWaalsContact O-CG 3.26Å; L31-L35 WeakPolarHBondContact O-CG 3.44Å; L31-L35 PolarHBondContact O-N 3.24Å; F32-L35 PolarHBondContact O-N 2.9Å; L35-Y39 VanDerWaalsContact O-CB 3.3Å; L35-Y39 WeakPolarHBondContact O-CB 3.39Å; L35-Y39 PolarHBondContact O-N 3.46Å
36	M	72.6	Confident	67.4	Low	105 Å²	105	107.5 Å²	107.5	52%	0.517	56%	0.555	S	S	.	*	H	α-helix	trans	-69.7	-38.3	173.2	-71.3	-72.2	100.1	0	0	112.4	F32 Y33 Y39 N40	F32-M36 WeakPolarHBondContact O-CB 3.37Å; F32-M36 VanDerWaalsContact O-CG 3.3Å; F32-M36 WeakPolarHBondContact O-CG 3.28Å; F32-M36 PolarHBondContact O-N 3.29Å; Y33-M36 PolarHBondContact O-N 2.64Å; M36-Y39 WeakPolarHBondContact O-CB 3.5Å; M36-Y39 PolarHBondContact O-N 3.34Å; M36-N40 PolarHBondContact O-N 2.92Å
37	S	68.6	Low	65	Low	73 Å²	73	109.7 Å²	109.7	51%	0.51	56%	0.562	S	S	.	*	H	α-helix	trans	-64.8	-42.8	173.2	-169.1	0	0	0	0	111.4	Y33 S34 N40 S41	Y33-S37 VanDerWaalsContact O-CB 3.27Å; Y33-S37 WeakPolarHBondContact O-CB 3.39Å; Y33-S37 PolarHBondContact O-N 3.02Å; S34-S37 PolarHBondContact O-N 3.33Å; S37-N40 PolarHBondContact O-N 3.3Å; S37-S41 WeakPolarHBondContact O-CB 3.4Å; S37-S41 PolarHBondContact O-N 3.16Å; S37-S41 PolarHBondContact O-OG 2.98Å
38	C	59.8	Low	62.6	Low	65 Å²	65	113.1 Å²	113.1	44%	0.439	57%	0.569	S	S	.	*	H	α-helix	trans	-65	-37	171.6	-72.2	0	0	0	0	112.3	S34 S41 L42	S34-C38 VanDerWaalsContact O-CB 3.31Å; S34-C38 WeakPolarHBondContact O-CB 3.42Å; S34-C38 PolarHBondContact O-N 3.37Å; S34-C38 PolarHBondContact O-SG 2.99Å; C38-S41 CarbonylContact O-C 3.49Å; C38-S41 PolarHBondContact O-N 2.93Å; C38-L42 HydrophobicContact CB-CD1 4.42Å; C38-L42 WeakPolarHBondContact O-CB 3.46Å; C38-L42 VanDerWaalsContact O-CG 3.23Å; C38-L42 WeakPolarHBondContact O-CG 3.14Å; C38-L42 PolarHBondContact O-N 2.95Å
39	Y	64.9	Low	60.1	Low	150 Å²	150	113 Å²	113	59%	0.588	57%	0.566	S	S	*	*	H	α-helix	trans	-61.8	-49.2	175.5	-179.7	-98.7	0	0	0	111.2	L35 M36 S41 L42 Q43	L35-Y39 VanDerWaalsContact O-CB 3.3Å; L35-Y39 WeakPolarHBondContact O-CB 3.39Å; L35-Y39 PolarHBondContact O-N 3.46Å; M36-Y39 WeakPolarHBondContact O-CB 3.5Å; M36-Y39 PolarHBondContact O-N 3.34Å; Y39-S41 PolarHBondContact O-N 3.44Å; Y39-L42 CarbonylContact O-C 3.58Å; Y39-L42 PolarHBondContact O-N 3.33Å; Y39-Q43 PolarHBondContact O-N 3.08Å
40	N	53.2	Low	57.7	Low	113 Å²	113	118.1 Å²	118.1	60%	0.604	58%	0.579	S	S	*	*	H	α-helix	trans	-62.9	-27.9	174	-67.6	-6.3	0	0	0	112.7	M36 S37	M36-N40 PolarHBondContact O-N 2.92Å; S37-N40 PolarHBondContact O-N 3.3Å
41	S	56.8	Low	55.3	Low	95 Å²	95	115.1 Å²	115.1	66%	0.664	58%	0.579	S	S	*	*	H	α-helix	trans	-85.7	-19.9	177	-54.2	0	0	0	0	113.9	S37 C38 Y39	S37-S41 WeakPolarHBondContact O-CB 3.4Å; S37-S41 PolarHBondContact O-N 3.16Å; S37-S41 PolarHBondContact O-OG 2.98Å; C38-S41 CarbonylContact O-C 3.49Å; C38-S41 PolarHBondContact O-N 2.93Å; Y39-S41 PolarHBondContact O-N 3.44Å
42	L	44.8	Very low	52.8	Low	119 Å²	119	116 Å²	116	62%	0.623	58%	0.579	S	S	*	*	S	Bend	trans	-101.9	11.9	178.8	-72.2	167.9	0	0	0	112.2	C38 Y39 F44	C38-L42 HydrophobicContact CB-CD1 4.42Å; C38-L42 WeakPolarHBondContact O-CB 3.46Å; C38-L42 VanDerWaalsContact O-CG 3.23Å; C38-L42 WeakPolarHBondContact O-CG 3.14Å; C38-L42 PolarHBondContact O-N 2.95Å; Y39-L42 CarbonylContact O-C 3.58Å; Y39-L42 PolarHBondContact O-N 3.33Å; L42-F44 HydrophobicContact CD2-CE2 4.33Å; L42-F44 PolarHBondContact O-N 3.45Å
43	Q	41.7	Very low	50.5	Low	118 Å²	118	114.8 Å²	114.8	55%	0.551	58%	0.575	S	S	*	*			trans	-72.9	68.3	173.9	-167.1	166.3	-15.8	0	0	110.6	Y39	Y39-Q43 PolarHBondContact O-N 3.08Å
44	F	38.3	Very low	48.3	Very low	159 Å²	159	107.8 Å²	107.8	70%	0.697	56%	0.559	S	S	*	*			trans	-54	141.8	170	-84.8	-89.7	0	0	0	110	L42 L46	L42-F44 HydrophobicContact CD2-CE2 4.33Å; L42-F44 PolarHBondContact O-N 3.45Å; F44-L46 PolarHBondContact O-N 3.04Å
45	P	39.2	Very low	46.4	Very low	91 Å²	91	113.4 Å²	113.4	59%	0.591	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	66.2	-166.2	34.3	-38.4	0	0	0	111.9	N49	P45-N49 WeakPolarHBondContact O-CB 3.48Å; P45-N49 PolarHBondContact O-ND2 3.22Å
46	L	38.3	Very low	44.7	Very low	117 Å²	117	111.1 Å²	111.1	61%	0.613	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.7	-43.2	174.9	-77.1	170	0	0	0	112.3	F44 N49 Y50	F44-L46 PolarHBondContact O-N 3.04Å; L46-N49 CarbonylContact O-C 3.57Å; L46-N49 PolarHBondContact O-N 3.15Å; L46-Y50 WeakPolarHBondContact O-CD2 3.42Å; L46-Y50 PolarHBondContact O-N 3.4Å
47	Q	35.8	Very low	43.2	Very low	167 Å²	167	110.3 Å²	110.3	78%	0.78	56%	0.562	S	S	*	*	H	α-helix	trans	-80.3	-36.8	-171.9	-163.8	157.1	-11.7	0	0	113.7	N49 Y50 V51	Q47-N49 VanDerWaalsContact C-N 3.32Å; Q47-Y50 PolarHBondContact O-N 2.86Å; Q47-V51 PolarHBondContact O-N 3.17Å
48	E	35.9	Very low	42.1	Very low	149 Å²	149	110.9 Å²	110.9	70%	0.696	56%	0.563	S	S	*	*	H	α-helix	trans	-65.3	-39	165.1	-72.2	-161.8	144.4	0	0	110.9	Y50 V51 F52	E48-Y50 VanDerWaalsContact C-N 3.35Å; E48-Y50 PolarHBondContact O-N 3.28Å; E48-V51 PolarHBondContact O-N 3.4Å; E48-F52 WeakPolarHBondContact O-CB 3.25Å; E48-F52 PolarHBondContact O-N 3.23Å
49	N	33	Very low	41.8	Very low	62 Å²	62	110 Å²	110	33%	0.332	55%	0.553	S	S	.	*	H	α-helix	trans	-63.7	-34.2	176.6	-94	-29.1	0	0	0	112.9	P45 L46 Q47 V51 F52 Q53	P45-N49 WeakPolarHBondContact O-CB 3.48Å; P45-N49 PolarHBondContact O-ND2 3.22Å; L46-N49 CarbonylContact O-C 3.57Å; L46-N49 PolarHBondContact O-N 3.15Å; Q47-N49 VanDerWaalsContact C-N 3.32Å; N49-V51 PolarHBondContact O-N 3.41Å; N49-F52 PolarHBondContact O-N 3.07Å; N49-Q53 WeakPolarHBondContact O-CA 3.41Å; N49-Q53 WeakPolarHBondContact O-CB 3.44Å; N49-Q53 WeakPolarHBondContact O-CG 3.43Å; N49-Q53 PolarHBondContact O-N 2.9Å; N49-Q53 PolarHBondContact O-OE1 2.58Å
50	Y	35.9	Very low	41.3	Very low	176 Å²	176	106.8 Å²	106.8	69%	0.69	55%	0.545	S	S	*	.	H	α-helix	trans	-68.4	-32.3	174	-95.6	-77.4	0	0	0	113.6	L46 Q47 E48 G54	L46-Y50 WeakPolarHBondContact O-CD2 3.42Å; L46-Y50 PolarHBondContact O-N 3.4Å; Q47-Y50 PolarHBondContact O-N 2.86Å; E48-Y50 VanDerWaalsContact C-N 3.35Å; E48-Y50 PolarHBondContact O-N 3.28Å; Y50-G54 WeakPolarHBondContact O-CA 3.46Å; Y50-G54 PolarHBondContact O-N 3.37Å
51	V	37.8	Very low	41.6	Very low	109 Å²	109	105.3 Å²	105.3	66%	0.661	54%	0.541	S	S	*	.	H	α-helix	trans	-79.1	-40	174.1	-179.2	0	0	0	0	111	Q47 E48 N49 G54 R55	Q47-V51 PolarHBondContact O-N 3.17Å; E48-V51 PolarHBondContact O-N 3.4Å; N49-V51 PolarHBondContact O-N 3.41Å; V51-G54 PolarHBondContact O-N 2.61Å; V51-R55 VanDerWaalsContact O-CB 3.23Å; V51-R55 WeakPolarHBondContact O-CB 3.29Å; V51-R55 PolarHBondContact O-N 2.72Å
52	F	34.5	Very low	41.8	Very low	120 Å²	120	104.2 Å²	104.2	53%	0.526	53%	0.53	S	S	.	.	H	α-helix	trans	-71.3	-42.7	179.4	-170.7	-114	0	0	0	111.8	E48 N49 R55 L56	E48-F52 WeakPolarHBondContact O-CB 3.25Å; E48-F52 PolarHBondContact O-N 3.23Å; N49-F52 PolarHBondContact O-N 3.07Å; F52-R55 PolarHBondContact O-N 3.4Å; F52-L56 HydrophobicContact CD1-CD1 3.68Å; F52-L56 HydrophobicContact CE1-CD1 3.34Å; F52-L56 HydrophobicContact CE2-CD1 4.32Å; F52-L56 HydrophobicContact CG-CD1 4.3Å; F52-L56 HydrophobicContact CZ-CD1 3.7Å; F52-L56 WeakPolarHBondContact O-CB 3.26Å; F52-L56 PolarHBondContact O-N 2.87Å
53	Q	34.4	Very low	42.8	Very low	101 Å²	101	99.6 Å²	99.6	47%	0.472	51%	0.505	S	S	.	.	H	α-helix	trans	-70.4	-35	168.7	-64.6	177.3	-92.9	0	0	111.9	N49 R55 L56 V57	N49-Q53 WeakPolarHBondContact O-CA 3.41Å; N49-Q53 WeakPolarHBondContact O-CB 3.44Å; N49-Q53 WeakPolarHBondContact O-CG 3.43Å; N49-Q53 PolarHBondContact O-N 2.9Å; N49-Q53 PolarHBondContact O-OE1 2.58Å; Q53-R55 PolarHBondContact O-N 2.97Å; Q53-L56 PolarHBondContact O-N 3.15Å; Q53-V57 WeakPolarHBondContact O-CB 3.33Å; Q53-V57 WeakPolarHBondContact O-CG2 3.37Å; Q53-V57 PolarHBondContact O-N 2.83Å
54	G	34	Very low	43.9	Very low	38 Å²	38	97.4 Å²	97.4	39%	0.392	50%	0.5	S	S	.	.	H	α-helix	trans	-60.6	-38.5	171.8	0	0	0	0	0	111.6	Y50 V51 T58	Y50-G54 WeakPolarHBondContact O-CA 3.46Å; Y50-G54 PolarHBondContact O-N 3.37Å; V51-G54 PolarHBondContact O-N 2.61Å; G54-T58 WeakPolarHBondContact O-CG2 3.4Å; G54-T58 PolarHBondContact O-N 3.3Å; G54-T58 PolarHBondContact O-OG1 3.28Å
55	R	37.5	Very low	45.3	Very low	158 Å²	158	92.3 Å²	92.3	60%	0.596	48%	0.481	S	S	*	.	H	α-helix	trans	-73.5	-46.3	174.6	-163.9	177.6	-167.7	147.5	9.2	112.6	V51 F52 Q53 T58 E59	V51-R55 VanDerWaalsContact O-CB 3.23Å; V51-R55 WeakPolarHBondContact O-CB 3.29Å; V51-R55 PolarHBondContact O-N 2.72Å; F52-R55 PolarHBondContact O-N 3.4Å; Q53-R55 PolarHBondContact O-N 2.97Å; R55-T58 WeakPolarHBondContact CA-OG1 3.47Å; R55-T58 PolarHBondContact O-N 2.88Å; R55-T58 PolarHBondContact O-OG1 2.76Å; R55-E59 HydrophobicContact CG-CG 4.38Å; R55-E59 VanDerWaalsContact CG-OE1 3.27Å; R55-E59 WeakPolarHBondContact CG-OE1 3.02Å; R55-E59 IonicContact NE-OE1 2.71Å; R55-E59 PolarHBondContact NE-OE1 2.9Å; R55-E59 VanDerWaalsContact NE-OE1 3.13Å; R55-E59 VanDerWaalsContact O-CB 3.23Å; R55-E59 WeakPolarHBondContact O-CB 3.2Å; R55-E59 VanDerWaalsContact O-CG 3.26Å; R55-E59 WeakPolarHBondContact O-CG 3.36Å; R55-E59 PolarHBondContact O-N 2.99Å
56	L	42.2	Very low	46.7	Very low	49 Å²	49	90.3 Å²	90.3	26%	0.257	47%	0.466	S	S	.	.	H	α-helix	trans	-62	-45.3	175	-104.2	144.2	0	0	0	111.8	F52 Q53 T58 E59 D60	F52-L56 HydrophobicContact CD1-CD1 3.68Å; F52-L56 HydrophobicContact CE1-CD1 3.34Å; F52-L56 HydrophobicContact CE2-CD1 4.32Å; F52-L56 HydrophobicContact CG-CD1 4.3Å; F52-L56 HydrophobicContact CZ-CD1 3.7Å; F52-L56 WeakPolarHBondContact O-CB 3.26Å; F52-L56 PolarHBondContact O-N 2.87Å; Q53-L56 PolarHBondContact O-N 3.15Å; L56-T58 VanDerWaalsContact C-N 3.32Å; L56-T58 PolarHBondContact O-N 3.34Å; L56-E59 CarbonylContact O-C 3.6Å; L56-E59 PolarHBondContact O-N 2.99Å; L56-D60 WeakPolarHBondContact O-CA 3.24Å; L56-D60 WeakPolarHBondContact O-CB 3.35Å; L56-D60 VanDerWaalsContact O-CG 3.22Å; L56-D60 PolarHBondContact O-N 3.46Å
57	V	40.5	Very low	48	Very low	87 Å²	87	89.3 Å²	89.3	53%	0.527	45%	0.454	S	S	.	.	H	α-helix	trans	-64.8	-36.9	177.8	170.5	0	0	0	0	111.2	Q53 T61	Q53-V57 WeakPolarHBondContact O-CB 3.33Å; Q53-V57 WeakPolarHBondContact O-CG2 3.37Å; Q53-V57 PolarHBondContact O-N 2.83Å; V57-T61 WeakPolarHBondContact O-CB 3.32Å; V57-T61 PolarHBondContact O-N 2.76Å; V57-T61 PolarHBondContact O-OG1 3.45Å
58	T	46.6	Very low	49.5	Very low	86 Å²	86	87 Å²	87	53%	0.528	44%	0.443	S	S	.	.	H	α-helix	trans	-72.7	-41.2	173.7	46.9	0	0	0	0	112.3	G54 R55 L56 T61 T62	G54-T58 WeakPolarHBondContact O-CG2 3.4Å; G54-T58 PolarHBondContact O-N 3.3Å; G54-T58 PolarHBondContact O-OG1 3.28Å; R55-T58 WeakPolarHBondContact CA-OG1 3.47Å; R55-T58 PolarHBondContact O-N 2.88Å; R55-T58 PolarHBondContact O-OG1 2.76Å; L56-T58 VanDerWaalsContact C-N 3.32Å; L56-T58 PolarHBondContact O-N 3.34Å; T58-T61 PolarHBondContact O-N 3.48Å; T58-T62 WeakPolarHBondContact O-CG2 3.24Å; T58-T62 PolarHBondContact O-N 2.76Å; T58-T62 PolarHBondContact O-OG1 2.69Å
59	E	52.3	Low	51.1	Low	47 Å²	47	86.5 Å²	86.5	22%	0.22	44%	0.439	C	S	.	.	H	α-helix	trans	-62.4	-54.2	174.8	-75.6	170.1	-178	0	0	110.9	R55 L56 T61 T62 F63 Q396	R55-E59 HydrophobicContact CG-CG 4.38Å; R55-E59 VanDerWaalsContact CG-OE1 3.27Å; R55-E59 WeakPolarHBondContact CG-OE1 3.02Å; R55-E59 IonicContact NE-OE1 2.71Å; R55-E59 PolarHBondContact NE-OE1 2.9Å; R55-E59 VanDerWaalsContact NE-OE1 3.13Å; R55-E59 VanDerWaalsContact O-CB 3.23Å; R55-E59 WeakPolarHBondContact O-CB 3.2Å; R55-E59 VanDerWaalsContact O-CG 3.26Å; R55-E59 WeakPolarHBondContact O-CG 3.36Å; R55-E59 PolarHBondContact O-N 2.99Å; L56-E59 CarbonylContact O-C 3.6Å; L56-E59 PolarHBondContact O-N 2.99Å; E59-T61 VanDerWaalsContact C-N 3.34Å; E59-T61 PolarHBondContact O-N 3.5Å; E59-T62 CarbonylContact O-C 3.49Å; E59-T62 WeakPolarHBondContact O-CA 3.48Å; E59-T62 PolarHBondContact O-N 3.42Å; E59-T62 PolarHBondContact O-OG1 2.76Å; E59-F63 VanDerWaalsContact C-CD2 3.49Å; E59-F63 HydrophobicContact CB-CD2 4.31Å; E59-F63 HydrophobicContact CB-CE2 3.83Å; E59-F63 HydrophobicContact CB-CZ 4.49Å; E59-F63 WeakPolarHBondContact O-CD2 3.43Å; E59-F63 WeakPolarHBondContact O-CG 3.32Å; E59-F63 PolarHBondContact O-N 2.68Å; E59-Q396 PolarHBondContact OE2-NE2 3.34Å
60	D	54.9	Low	52.6	Low	81 Å²	81	84.3 Å²	84.3	43%	0.433	43%	0.427	S	S	.	.	H	α-helix	trans	-52.5	-46	171.8	-74.6	-28.6	0	0	0	112	L56 T62 F63 V64	L56-D60 WeakPolarHBondContact O-CA 3.24Å; L56-D60 WeakPolarHBondContact O-CB 3.35Å; L56-D60 VanDerWaalsContact O-CG 3.22Å; L56-D60 PolarHBondContact O-N 3.46Å; D60-T62 VanDerWaalsContact C-N 3.31Å; D60-T62 PolarHBondContact O-N 3.15Å; D60-F63 PolarHBondContact O-N 3.35Å; D60-V64 WeakPolarHBondContact O-CB 3.39Å; D60-V64 VanDerWaalsContact O-CG2 3.31Å; D60-V64 WeakPolarHBondContact O-CG2 3.4Å; D60-V64 PolarHBondContact O-N 3.26Å
61	T	58.6	Low	53.6	Low	82 Å²	82	81.8 Å²	81.8	50%	0.503	42%	0.417	S	S	.	.	H	α-helix	trans	-62.3	-39.4	176.3	-59.6	0	0	0	0	111	V57 T58 E59 T65	V57-T61 WeakPolarHBondContact O-CB 3.32Å; V57-T61 PolarHBondContact O-N 2.76Å; V57-T61 PolarHBondContact O-OG1 3.45Å; T58-T61 PolarHBondContact O-N 3.48Å; E59-T61 VanDerWaalsContact C-N 3.34Å; E59-T61 PolarHBondContact O-N 3.5Å; T61-T65 VanDerWaalsContact O-CB 3.29Å; T61-T65 WeakPolarHBondContact O-CB 3.41Å; T61-T65 PolarHBondContact O-N 3.01Å; T61-T65 PolarHBondContact O-OG1 3.42Å
62	T	62.7	Low	54.3	Low	73 Å²	73	81.8 Å²	81.8	45%	0.448	42%	0.422	S	S	.	.	H	α-helix	trans	-69.7	-35.3	173.8	62.8	0	0	0	0	113	T58 E59 D60 T65 L66	T58-T62 WeakPolarHBondContact O-CG2 3.24Å; T58-T62 PolarHBondContact O-N 2.76Å; T58-T62 PolarHBondContact O-OG1 2.69Å; E59-T62 CarbonylContact O-C 3.49Å; E59-T62 WeakPolarHBondContact O-CA 3.48Å; E59-T62 PolarHBondContact O-N 3.42Å; E59-T62 PolarHBondContact O-OG1 2.76Å; D60-T62 VanDerWaalsContact C-N 3.31Å; D60-T62 PolarHBondContact O-N 3.15Å; T62-T65 PolarHBondContact O-N 3.29Å; T62-L66 WeakPolarHBondContact O-CB 3.26Å; T62-L66 VanDerWaalsContact O-CG 3.24Å; T62-L66 WeakPolarHBondContact O-CG 3.29Å; T62-L66 PolarHBondContact O-N 2.99Å
63	F	64.8	Low	55	Low	22 Å²	22	78.7 Å²	78.7	10%	0.096	42%	0.418	C	S	.	.	H	α-helix	trans	-72.1	-40.7	177.8	-64.1	-42.8	0	0	0	112	E59 D60 L66 R67 M393	E59-F63 VanDerWaalsContact C-CD2 3.49Å; E59-F63 HydrophobicContact CB-CD2 4.31Å; E59-F63 HydrophobicContact CB-CE2 3.83Å; E59-F63 HydrophobicContact CB-CZ 4.49Å; E59-F63 WeakPolarHBondContact O-CD2 3.43Å; E59-F63 WeakPolarHBondContact O-CG 3.32Å; E59-F63 PolarHBondContact O-N 2.68Å; D60-F63 PolarHBondContact O-N 3.35Å; F63-L66 HydrophobicContact CD1-CD1 4.19Å; F63-L66 PolarHBondContact O-N 3.16Å; F63-R67 WeakPolarHBondContact O-CB 3.37Å; F63-R67 PolarHBondContact O-N 3.19Å; F63-M393 HydrophobicContact CB-CE 3.87Å; F63-M393 HydrophobicContact CB-SD 3.96Å; F63-M393 HydrophobicContact CD1-CB 4.05Å; F63-M393 HydrophobicContact CD1-CG 4Å; F63-M393 HydrophobicContact CD1-SD 3.76Å; F63-M393 HydrophobicContact CD2-CE 4.22Å; F63-M393 HydrophobicContact CD2-CG 3.92Å; F63-M393 HydrophobicContact CD2-SD 4.17Å; F63-M393 HydrophobicContact CE1-CB 3.62Å; F63-M393 HydrophobicContact CE1-CG 3.99Å; F63-M393 HydrophobicContact CE1-SD 4.32Å; F63-M393 HydrophobicContact CE2-CB 4.11Å; F63-M393 HydrophobicContact CE2-CG 3.87Å; F63-M393 HydrophobicContact CG-CE 4.03Å; F63-M393 HydrophobicContact CG-CG 3.99Å; F63-M393 HydrophobicContact CG-SD 3.7Å; F63-M393 HydrophobicContact CZ-CB 3.65Å; F63-M393 HydrophobicContact CZ-CG 3.92Å
64	V	65.4	Low	55.2	Low	72 Å²	72	75.9 Å²	75.9	44%	0.436	41%	0.409	S	S	.	.	H	α-helix	trans	-58.7	-46.8	168.1	171	0	0	0	0	110.2	D60 L66 R67 E68	D60-V64 WeakPolarHBondContact O-CB 3.39Å; D60-V64 VanDerWaalsContact O-CG2 3.31Å; D60-V64 WeakPolarHBondContact O-CG2 3.4Å; D60-V64 PolarHBondContact O-N 3.26Å; V64-L66 VanDerWaalsContact C-N 3.34Å; V64-L66 PolarHBondContact O-N 3.08Å; V64-R67 WeakPolarHBondContact O-CB 3.37Å; V64-R67 PolarHBondContact O-N 3.12Å; V64-E68 HydrophobicContact CG1-CG 4.48Å; V64-E68 WeakPolarHBondContact O-CG 3.47Å; V64-E68 PolarHBondContact O-N 3.47Å
65	T	67.9	Low	55.3	Low	51 Å²	51	79.6 Å²	79.6	31%	0.313	43%	0.427	S	S	.	.	H	α-helix	trans	-61.3	-39.2	176.8	-60.2	0	0	0	0	112.5	T61 T62 K69	T61-T65 VanDerWaalsContact O-CB 3.29Å; T61-T65 WeakPolarHBondContact O-CB 3.41Å; T61-T65 PolarHBondContact O-N 3.01Å; T61-T65 PolarHBondContact O-OG1 3.42Å; T62-T65 PolarHBondContact O-N 3.29Å; T65-K69 HydrophobicContact CG2-CD 4.13Å; T65-K69 WeakPolarHBondContact O-CB 3.42Å; T65-K69 WeakPolarHBondContact O-CD 3.27Å; T65-K69 VanDerWaalsContact O-CG 3.23Å; T65-K69 WeakPolarHBondContact O-CG 3.36Å; T65-K69 PolarHBondContact O-N 2.89Å; T65-K69 VanDerWaalsContact O-N 3.15Å
66	L	68.1	Low	55.1	Low	50 Å²	50	75.5 Å²	75.5	26%	0.262	43%	0.434	S	S	.	.	H	α-helix	trans	-69.9	-39.8	176.3	-76.8	165.8	0	0	0	111.8	T62 F63 V64 K69 L70 P389 F390	T62-L66 WeakPolarHBondContact O-CB 3.26Å; T62-L66 VanDerWaalsContact O-CG 3.24Å; T62-L66 WeakPolarHBondContact O-CG 3.29Å; T62-L66 PolarHBondContact O-N 2.99Å; F63-L66 HydrophobicContact CD1-CD1 4.19Å; F63-L66 PolarHBondContact O-N 3.16Å; V64-L66 VanDerWaalsContact C-N 3.34Å; V64-L66 PolarHBondContact O-N 3.08Å; L66-K69 PolarHBondContact O-N 3.4Å; L66-L70 WeakPolarHBondContact O-CG 3.18Å; L66-L70 PolarHBondContact O-N 3.19Å; L66-P389 HydrophobicContact CD1-CB 3.79Å; L66-P389 HydrophobicContact CD1-CG 4.27Å; L66-F390 HydrophobicContact CB-CE1 4Å; L66-F390 HydrophobicContact CB-CZ 4.2Å; L66-F390 HydrophobicContact CD1-CE1 4.45Å; L66-F390 HydrophobicContact CD2-CZ 4.27Å
67	R	65.9	Low	54.6	Low	95 Å²	95	83 Å²	83	36%	0.358	47%	0.465	S	S	.	.	H	α-helix	trans	-61.2	-51.9	175.6	175.8	-173.6	177.5	140.8	8.9	111	F63 V64 K69 L70 Y71 L293 E296	F63-R67 WeakPolarHBondContact O-CB 3.37Å; F63-R67 PolarHBondContact O-N 3.19Å; V64-R67 WeakPolarHBondContact O-CB 3.37Å; V64-R67 PolarHBondContact O-N 3.12Å; R67-K69 PolarHBondContact O-N 2.98Å; R67-L70 PolarHBondContact O-N 2.98Å; R67-L70 VanDerWaalsContact O-N 3.09Å; R67-Y71 HydrophobicContact CG-CD2 3.8Å; R67-Y71 HydrophobicContact CG-CE2 3.66Å; R67-Y71 VanDerWaalsContact O-CD2 3.22Å; R67-Y71 WeakPolarHBondContact O-CD2 3.32Å; R67-Y71 PolarHBondContact O-N 2.98Å; R67-L293 HydrophobicContact CB-CD2 4.38Å; R67-L293 HydrophobicContact CG-CD2 4.3Å; R67-E296 IonicContact CZ-OE2 3.29Å; R67-E296 IonicContact NH1-OE1 2.68Å; R67-E296 IonicContact NH1-OE2 2.69Å; R67-E296 PolarHBondContact NH1-OE2 3.47Å; R67-E296 IonicContact NH2-OE2 3.02Å
68	E	67.8	Low	53.9	Low	118 Å²	118	84.6 Å²	84.6	55%	0.551	48%	0.475	S	S	*	.	H	α-helix	trans	-57.6	-46.8	176.1	-73.3	-180	166.2	0	0	111.5	V64 L70 Y71 S72	V64-E68 HydrophobicContact CG1-CG 4.48Å; V64-E68 WeakPolarHBondContact O-CG 3.47Å; V64-E68 PolarHBondContact O-N 3.47Å; E68-L70 PolarHBondContact O-N 3.28Å; E68-Y71 PolarHBondContact O-N 3.07Å; E68-Y71 VanDerWaalsContact O-N 3.16Å; E68-S72 WeakPolarHBondContact O-CB 3.44Å; E68-S72 PolarHBondContact O-N 3.19Å; E68-S72 PolarHBondContact O-OG 2.92Å
69	K	68.5	Low	53.1	Low	140 Å²	140	88 Å²	88	61%	0.609	49%	0.485	S	S	*	.	H	α-helix	trans	-59.2	-33	175.7	-74.5	169.3	-176.8	172.4	0	113.1	T65 L66 R67 A73	T65-K69 HydrophobicContact CG2-CD 4.13Å; T65-K69 WeakPolarHBondContact O-CB 3.42Å; T65-K69 WeakPolarHBondContact O-CD 3.27Å; T65-K69 VanDerWaalsContact O-CG 3.23Å; T65-K69 WeakPolarHBondContact O-CG 3.36Å; T65-K69 PolarHBondContact O-N 2.89Å; T65-K69 VanDerWaalsContact O-N 3.15Å; L66-K69 PolarHBondContact O-N 3.4Å; R67-K69 PolarHBondContact O-N 2.98Å; K69-A73 WeakPolarHBondContact O-CB 3.48Å; K69-A73 PolarHBondContact O-N 2.91Å
70	L	65.4	Low	51.7	Low	15 Å²	15	95.9 Å²	95.9	8%	0.079	52%	0.519	C	S	.	.	H	α-helix	trans	-78.2	-28.4	176.7	-80.6	176.9	0	0	0	114.5	L66 R67 E68 S74 A281 R287 I290 L293 F386 F390	L66-L70 WeakPolarHBondContact O-CG 3.18Å; L66-L70 PolarHBondContact O-N 3.19Å; R67-L70 PolarHBondContact O-N 2.98Å; R67-L70 VanDerWaalsContact O-N 3.09Å; E68-L70 PolarHBondContact O-N 3.28Å; L70-S74 PolarHBondContact O-OG 2.85Å; L70-A281 HydrophobicContact CD2-CB 3.37Å; L70-R287 PolarHBondContact O-NH2 3.45Å; L70-I290 HydrophobicContact CD1-CD1 3.96Å; L70-I290 HydrophobicContact CD1-CG2 4.45Å; L70-I290 HydrophobicContact CD2-CD1 4.39Å; L70-L293 HydrophobicContact CD1-CD1 3.68Å; L70-F386 HydrophobicContact CD2-CE2 4.48Å; L70-F386 HydrophobicContact CD2-CZ 4.5Å; L70-F390 HydrophobicContact CD1-CE1 3.67Å; L70-F390 HydrophobicContact CD1-CE2 4.26Å; L70-F390 HydrophobicContact CD1-CZ 3.43Å; L70-F390 VanDerWaalsContact CD1-CZ 3.43Å; L70-F390 HydrophobicContact CG-CZ 4.27Å
71	Y	56.4	Low	50.4	Low	123 Å²	123	97 Å²	97	48%	0.482	53%	0.529	S	S	.	.	H	α-helix	trans	-82.1	-50	174.8	-76.4	-67.2	0	0	0	111.4	R67 E68 A73 S74	R67-Y71 HydrophobicContact CG-CD2 3.8Å; R67-Y71 HydrophobicContact CG-CE2 3.66Å; R67-Y71 VanDerWaalsContact O-CD2 3.22Å; R67-Y71 WeakPolarHBondContact O-CD2 3.32Å; R67-Y71 PolarHBondContact O-N 2.98Å; E68-Y71 PolarHBondContact O-N 3.07Å; E68-Y71 VanDerWaalsContact O-N 3.16Å; Y71-A73 PolarHBondContact O-N 2.82Å; Y71-A73 VanDerWaalsContact O-N 3.12Å; Y71-S74 WeakPolarHBondContact O-CB 3.18Å; Y71-S74 PolarHBondContact O-N 2.93Å
72	S	51.6	Low	48.9	Very low	110 Å²	110	102.2 Å²	102.2	77%	0.769	55%	0.548	S	S	*	.	H	α-helix	trans	-63	-19.4	179	-58.3	0	0	0	0	114.1	E68 S74	E68-S72 WeakPolarHBondContact O-CB 3.44Å; E68-S72 PolarHBondContact O-N 3.19Å; E68-S72 PolarHBondContact O-OG 2.92Å; S72-S74 VanDerWaalsContact C-N 3.33Å
73	A	50.2	Low	47.1	Very low	54 Å²	54	103.3 Å²	103.3	45%	0.446	56%	0.564	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.2	7.9	174	0	0	0	0	0	114.7	K69 Y71 K272	K69-A73 WeakPolarHBondContact O-CB 3.48Å; K69-A73 PolarHBondContact O-N 2.91Å; Y71-A73 PolarHBondContact O-N 2.82Å; Y71-A73 VanDerWaalsContact O-N 3.12Å; A73-K272 PolarHBondContact O-NZ 2.89Å
74	S	38.5	Very low	45.3	Very low	42 Å²	42	110.6 Å²	110.6	29%	0.294	60%	0.599	S	S	.	*	S	Bend	trans	-125.3	107.6	-175.8	-53	0	0	0	0	111	L70 Y71 S72 R287	L70-S74 PolarHBondContact O-OG 2.85Å; Y71-S74 WeakPolarHBondContact O-CB 3.18Å; Y71-S74 PolarHBondContact O-N 2.93Å; S72-S74 VanDerWaalsContact C-N 3.33Å; S74-R287 PolarHBondContact OG-NH2 3.36Å
75	P	36.1	Very low	43.3	Very low	116 Å²	116	117.5 Å²	117.5	75%	0.753	62%	0.617	S	S	*	*			trans	-58.7	156.2	168.3	-22.4	34.2	0	0	0	111.7	F77	P75-F77 PolarHBondContact O-N 2.77Å
76	G	33	Very low	41.3	Very low	73 Å²	73	121 Å²	121	75%	0.753	64%	0.638	S	S	*	*			trans	-54.2	133.4	-171.4	0	0	0	0	0	114.3	T78	G76-T78 PolarHBondContact O-N 3.1Å
77	F	30.7	Very low	39.1	Very low	205 Å²	205	125.9 Å²	125.9	90%	0.899	67%	0.67	S	S	*	*			trans	-80.8	99.6	177.2	-172.6	-88.7	0	0	0	109.8	P75	P75-F77 PolarHBondContact O-N 2.77Å
78	T	26.9	Very low	37	Very low	121 Å²	121	126 Å²	126	74%	0.742	69%	0.691	S	S	*	*			trans	-78.9	148.1	171.4	36.7	0	0	0	0	111.7	G76	G76-T78 PolarHBondContact O-N 3.1Å
79	E	28.6	Very low	35	Very low	158 Å²	158	124.8 Å²	124.8	74%	0.738	70%	0.702	S	S	*	*			trans	-71.6	138	-173.2	-64.9	177.1	102.3	0	0	112.9	T81	E79-T81 VanDerWaalsContact C-N 3.32Å; E79-T81 HydrophobicContact CB-CG2 4.48Å; E79-T81 PolarHBondContact O-N 3.39Å
80	F	24.2	Very low	33	Very low	212 Å²	212	124.2 Å²	124.2	93%	0.93	71%	0.712	S	S	*	*			trans	-90.5	66.1	167.8	-108.5	-86.4	0	0	0	110.6	Q82	F80-Q82 PolarHBondContact O-N 2.98Å
81	T	27.1	Very low	30.9	Very low	106 Å²	106	129.7 Å²	129.7	65%	0.65	75%	0.747	S	S	*	*			trans	-84.7	95.2	171.6	31.3	0	0	0	0	110.3	E79 A83	E79-T81 VanDerWaalsContact C-N 3.32Å; E79-T81 HydrophobicContact CB-CG2 4.48Å; E79-T81 PolarHBondContact O-N 3.39Å; T81-A83 PolarHBondContact O-N 3.18Å; T81-A83 VanDerWaalsContact O-N 3.07Å
82	Q	27.3	Very low	29.4	Very low	190 Å²	190	129.8 Å²	129.8	89%	0.888	76%	0.759	S	S	*	*			trans	-78.1	90.8	176.9	-171.2	174.2	5.3	0	0	110.4	F80	F80-Q82 PolarHBondContact O-N 2.98Å
83	A	25.1	Very low	28.1	Very low	96 Å²	96	131.4 Å²	131.4	79%	0.793	77%	0.765	S	S	*	*			trans	-110.3	105.8	-179.4	0	0	0	0	0	111.9	T81	T81-A83 PolarHBondContact O-N 3.18Å; T81-A83 VanDerWaalsContact O-N 3.07Å
84	E	25.8	Very low	26.8	Very low	176 Å²	176	132 Å²	132	82%	0.822	78%	0.776	S	S	*	*			trans	-84.4	138.8	159.7	-69.3	-173.5	152.3	0	0	110.2
85	R	24.6	Very low	26.1	Very low	217 Å²	217	139.1 Å²	139.1	82%	0.819	81%	0.805	S	S	*	*			trans	137.1	148.2	132.8	-170.2	172.3	-72.3	-146.6	-3.1	114.3
86	T	25	Very low	25.5	Very low	125 Å²	125	141.9 Å²	141.9	77%	0.767	81%	0.807	S	S	*	*			trans	64.2	98.3	165.8	27.8	0	0	0	0	117.2
87	T	22.2	Very low	25.1	Very low	151 Å²	151	145.9 Å²	145.9	93%	0.926	81%	0.811	S	S	*	*			trans	-66.6	124.4	150.9	36.3	0	0	0	0	110.1
88	A	23	Very low	24.7	Very low	97 Å²	97	145 Å²	145	80%	0.802	81%	0.81	S	S	*	*			trans	-123.6	135.3	162.8	0	0	0	0	0	107.7
89	A	23.9	Very low	24.6	Very low	94 Å²	94	144 Å²	144	78%	0.777	81%	0.814	S	S	*	*			trans	-89.3	145.4	-175.1	0	0	0	0	0	112
90	P	27.8	Very low	24.4	Very low	127 Å²	127	144 Å²	144	83%	0.825	81%	0.814	S	S	*	*			trans	-97.9	155.4	147	35.1	-28.4	0	0	0	110.9
91	T	21.5	Very low	24.4	Very low	131 Å²	131	141.4 Å²	141.4	80%	0.804	81%	0.805	S	S	*	*			trans	-121.8	170.5	178.3	-50.8	0	0	0	0	108.9
92	V	25.1	Very low	24.3	Very low	124 Å²	124	146.5 Å²	146.5	75%	0.752	81%	0.812	S	S	*	*			trans	100.8	104.4	161.5	-175.4	0	0	0	0	116.7
93	V	24.2	Very low	24.3	Very low	145 Å²	145	144 Å²	144	88%	0.879	81%	0.81	S	S	*	*			trans	53.4	137.8	140.6	-176.6	0	0	0	0	119
94	G	23	Very low	24.3	Very low	67 Å²	67	145.3 Å²	145.3	69%	0.691	81%	0.808	S	S	*	*			cis	-162.4	-172.7	-0.9	0	0	0	0	0	108
95	E	23.1	Very low	24.2	Very low	191 Å²	191	143.4 Å²	143.4	89%	0.893	80%	0.799	S	S	*	*			cis	-142	-156.9	11.8	-65.7	177.7	102.1	0	0	110.6
96	H	23.2	Very low	24.2	Very low	174 Å²	174	143.7 Å²	143.7	81%	0.806	80%	0.8	S	S	*	*			trans	-67.7	158.9	-178.7	-70.8	-117.3	0	0	0	112.7
97	D	24.2	Very low	24.2	Very low	156 Å²	156	144.7 Å²	144.7	83%	0.834	80%	0.799	S	S	*	*				-156	-174.2	65.6	-96.1	-33.9	0	0	0	115.6
98	E	23.6	Very low	24.3	Very low	186 Å²	186	148.2 Å²	148.2	87%	0.869	80%	0.796	S	S	*	*			trans	-88.2	151.4	-156.5	-48.1	177.6	123.8	0	0	117.2
99	A	24.6	Very low	24.4	Very low	101 Å²	101	149.3 Å²	149.3	84%	0.835	79%	0.793	S	S	*	*			trans	-170.4	146.7	136.1	0	0	0	0	0	114.1
100	E	24.9	Very low	24.5	Very low	157 Å²	157	153.8 Å²	153.8	73%	0.734	80%	0.798	S	S	*	*			trans	-43.6	131.8	176.5	-76.5	-175.8	106.7	0	0	116.9
101	Q	23.8	Very low	24.2	Very low	158 Å²	158	152.3 Å²	152.3	74%	0.738	80%	0.796	S	S	*	*				88.6	152.6	69.3	-77.5	-168.2	32.1	0	0	116
102	R	25.1	Very low	24.5	Very low	214 Å²	214	151.6 Å²	151.6	81%	0.808	80%	0.796	S	S	*	*			trans	77.2	131.7	-179.3	-48	176.6	-165	176.4	8	113.5
103	T	26.3	Very low	25	Very low	138 Å²	138	151.7 Å²	151.7	85%	0.847	80%	0.8	S	S	*	*			cis	-144.3	144.3	9	-24.5	0	0	0	0	111.9
104	V	24.6	Very low	25.1	Very low	122 Å²	122	151 Å²	151	74%	0.739	80%	0.796	S	S	*	*			trans	-72.4	166.9	163.2	-141.5	0	0	0	0	107.4
105	E	25	Very low	25.3	Very low	137 Å²	137	157.4 Å²	157.4	64%	0.64	80%	0.804	S	S	*	*			cis	-172.6	153.6	30	-162	165.6	-139.7	0	0	106.6
106	W	24.1	Very low	25.4	Very low	222 Å²	222	153.8 Å²	153.8	84%	0.841	80%	0.8	S	S	*	*				-167	161.6	77.7	-104.1	79.8	0	0	0	114
107	I	24.9	Very low	25.5	Very low	146 Å²	146	149.7 Å²	149.7	75%	0.749	80%	0.796	S	S	*	*			trans	-111.8	147.6	-162.5	-77.7	175	0	0	0	115
108	R	25.3	Very low	25.5	Very low	226 Å²	226	147.1 Å²	147.1	85%	0.853	80%	0.797	S	S	*	*			trans	-46.2	133.5	167.1	168.2	-147.1	-66.7	156.6	-3	115.9
109	T	24.8	Very low	25.6	Very low	120 Å²	120	142.7 Å²	142.7	74%	0.736	79%	0.792	S	S	*	*			trans	-161.5	158.3	145.7	25.1	0	0	0	0	109.5
110	Q	24.7	Very low	25.4	Very low	188 Å²	188	148 Å²	148	88%	0.879	80%	0.797	S	S	*	*			cis	-148.6	-160	3.6	-136.7	162.9	30.1	0	0	112.1
111	A	23.3	Very low	25.4	Very low	96 Å²	96	151.5 Å²	151.5	79%	0.793	80%	0.803	S	S	*	*			trans	-126.2	-178.7	-166.3	0	0	0	0	0	115.6
112	S	26	Very low	26	Very low	115 Å²	115	149.5 Å²	149.5	80%	0.804	80%	0.804	S	S	*	*			trans	-77.1	170.1	-169.7	-30.2	0	0	0	0	117.2
113	P	36.6	Very low	25.9	Very low	127 Å²	127	145.6 Å²	145.6	83%	0.825	80%	0.804	S	S	*	*			trans	-132.9	-161.8	139.2	35.4	-20.1	0	0	0	114.7
114	T	26	Very low	25.9	Very low	130 Å²	130	143.2 Å²	143.2	80%	0.798	80%	0.799	S	S	*	*			trans	-145.3	167.5	-141	-33.2	0	0	0	0	115.8
115	K	28	Very low	26.2	Very low	201 Å²	201	142.7 Å²	142.7	87%	0.874	80%	0.798	S	S	*	*			trans	99.8	163.9	167.6	-59.8	170.8	-173.8	177.2	0	115.6
116	S	24.9	Very low	26.3	Very low	115 Å²	115	144.4 Å²	144.4	80%	0.804	81%	0.806	S	S	*	*			cis	167.4	147.1	-27.7	-172.4	0	0	0	0	108.2
117	A	24.4	Very low	26.4	Very low	88 Å²	88	145.6 Å²	145.6	73%	0.727	81%	0.81	S	S	*	*			cis	-169.2	-159.4	-18.1	0	0	0	0	0	108.8
118	A	24.5	Very low	26.4	Very low	102 Å²	102	148 Å²	148	84%	0.843	82%	0.818	S	S	*	*			trans	71	152.2	176.5	0	0	0	0	0	117.6
119	A	25.1	Very low	26.4	Very low	93 Å²	93	146.6 Å²	146.6	77%	0.769	81%	0.813	S	S	*	*			cis	-159.6	156.6	-14.2	0	0	0	0	0	113.6
120	F	21.4	Very low	26.4	Very low	214 Å²	214	150 Å²	150	94%	0.939	82%	0.821	S	S	*	*			trans	53.4	159.1	157.8	-95.5	-99.5	0	0	0	124.6
121	R	23.9	Very low	26.5	Very low	230 Å²	230	147.7 Å²	147.7	87%	0.868	81%	0.809	S	S	*	*			trans	-111.3	177.2	-177.6	-84	-179	176	175.8	-1.2	110.4
122	P	36.4	Very low	27	Very low	116 Å²	116	151.1 Å²	151.1	75%	0.753	81%	0.813	S	S	*	*			cis	-125.5	-164.8	12.6	32.9	-8.2	0	0	0	112.8
123	T	23.4	Very low	27.1	Very low	132 Å²	132	150.7 Å²	150.7	81%	0.81	81%	0.81	S	S	*	*			cis	-139.2	180	20.8	48.5	0	0	0	0	113.6
124	A	27.1	Very low	27.2	Very low	88 Å²	88	150.7 Å²	150.7	73%	0.727	81%	0.808	S	S	*	*			trans	-87.6	178.6	-179.4	0	0	0	0	0	113.5
125	P	30.6	Very low	27.7	Very low	111 Å²	111	151 Å²	151	72%	0.721	81%	0.809	S	S	*	*				-133.9	171.8	86.1	40.3	-30.7	0	0	0	116.5
126	E	26	Very low	27.7	Very low	173 Å²	173	148.5 Å²	148.5	81%	0.808	81%	0.806	S	S	*	*			trans	53.6	103.7	150.9	-74.2	149.4	-176.8	0	0	121.3
127	R	26.2	Very low	28.2	Very low	246 Å²	246	148.5 Å²	148.5	93%	0.928	81%	0.806	S	S	*	*			trans	-118.3	121.7	135.3	-83.3	-175.8	171.2	-177.3	-3.4	108.2
128	E	25.3	Very low	28.6	Very low	197 Å²	197	153.1 Å²	153.1	92%	0.921	81%	0.812	S	S	*	*			trans	-72.4	170.3	166.7	-75.2	-161.8	119.5	0	0	112
129	R	26.3	Very low	29.2	Very low	197 Å²	197	156.1 Å²	156.1	74%	0.743	81%	0.813	S	S	*	*			trans	-132.1	131.3	-158.3	-178.1	-158	-77.7	-149.3	-5.9	111.2	E131	R129-E131 VanDerWaalsContact CD-OE1 3.25Å; R129-E131 WeakPolarHBondContact CD-OE1 3.45Å; R129-E131 HydrophobicContact CG-CG 3.91Å; R129-E131 IonicContact NH1-OE1 2.98Å
130	Q	24.9	Very low	30.2	Very low	192 Å²	192	162.5 Å²	162.5	90%	0.897	82%	0.817	S	S	*	*			trans	-128.6	97	151.6	-69.4	-180	-27.3	0	0	105.3
131	E	26.4	Very low	31.3	Very low	138 Å²	138	158 Å²	158	65%	0.645	81%	0.807	S	S	*	*				62.7	93.2	72.7	-57.9	-105.3	124.5	0	0	110.1	R129 S133	R129-E131 VanDerWaalsContact CD-OE1 3.25Å; R129-E131 WeakPolarHBondContact CD-OE1 3.45Å; R129-E131 HydrophobicContact CG-CG 3.91Å; R129-E131 IonicContact NH1-OE1 2.98Å; E131-S133 PolarHBondContact O-N 3.46Å
132	I	34.1	Very low	31.8	Very low	168 Å²	168	154.8 Å²	154.8	86%	0.862	81%	0.807	S	S	*	*			trans	-79.5	100.1	175	-63	165.9	0	0	0	107
133	S	26.8	Very low	31.8	Very low	107 Å²	107	153.6 Å²	153.6	75%	0.748	80%	0.801	S	S	*	*			trans	-87.3	129.3	168	56.5	0	0	0	0	110.5	E131 T135	E131-S133 PolarHBondContact O-N 3.46Å; S133-T135 PolarHBondContact O-N 3.02Å
134	T	40	Very low	32.8	Very low	126 Å²	126	152.8 Å²	152.8	77%	0.773	80%	0.796	S	S	*	*			trans	-82.7	104.3	179.2	48	0	0	0	0	111
135	T	35.2	Very low	33.6	Very low	136 Å²	136	152.1 Å²	152.1	83%	0.834	79%	0.786	S	S	*	*			trans	-177.7	83.8	153.7	34.1	0	0	0	0	110.7	S133	S133-T135 PolarHBondContact O-N 3.02Å
136	D	29.6	Very low	34.8	Very low	150 Å²	150	153 Å²	153	80%	0.802	79%	0.785	S	S	*	*			trans	-156	49.5	159.8	-158.6	11.1	0	0	0	112.2
137	S	34.2	Very low	36.8	Very low	115 Å²	115	153.2 Å²	153.2	80%	0.804	78%	0.779	S	S	*	*			trans	-115.8	9.5	179.5	-168.8	0	0	0	0	113.5
138	E	33.1	Very low	39.6	Very low	184 Å²	184	143.3 Å²	143.3	86%	0.86	75%	0.753	S	S	*	*			trans	-119.6	42	-170.3	-63	-163.6	138.4	0	0	113.5
139	L	36.9	Very low	42.9	Very low	166 Å²	166	140.4 Å²	140.4	87%	0.869	74%	0.74	S	S	*	*	S	Bend	trans	-126.1	17.6	166.5	-94.7	171.3	0	0	0	113.9
140	R	46.3	Very low	46.2	Very low	226 Å²	226	135.1 Å²	135.1	85%	0.853	72%	0.722	S	S	*	*	S	Bend	trans	-107.1	162.6	159	-76.1	-176.4	172.6	177.2	-0.9	109.3
141	V	44.6	Very low	49.6	Very low	120 Å²	120	128 Å²	128	73%	0.727	69%	0.688	S	S	*	*			trans	66.9	71.3	-174.3	-163	0	0	0	0	113.2	C143	V141-C143 VanDerWaalsContact C-N 3.29Å; V141-C143 HydrophobicContact CG1-CB 3.99Å
142	N	34.8	Very low	53.1	Low	162 Å²	162	124.1 Å²	124.1	87%	0.866	67%	0.671	S	S	*	*			trans	-103.6	60.5	130.4	-162	-8.6	0	0	0	108.1	T144	N142-T144 PolarHBondContact O-N 2.97Å
143	C	36.8	Very low	56.1	Low	92 Å²	92	116.2 Å²	116.2	62%	0.622	63%	0.631	S	S	*	*			trans	-77.7	104.8	171.9	-63.1	0	0	0	0	107.4	V141 S145	V141-C143 VanDerWaalsContact C-N 3.29Å; V141-C143 HydrophobicContact CG1-CB 3.99Å; C143-S145 PolarHBondContact O-N 3.34Å
144	T	43.5	Very low	59.5	Low	114 Å²	114	114.9 Å²	114.9	70%	0.699	61%	0.613	S	S	*	*			trans	-51.8	122.7	151.1	51.3	0	0	0	0	106.9	N142	N142-T144 PolarHBondContact O-N 2.97Å
145	S	44.3	Very low	62.3	Low	74 Å²	74	108.9 Å²	108.9	52%	0.517	58%	0.577	S	S	.	*			trans	-47.4	141.2	-173.9	-174.2	0	0	0	0	111.7	C143 Y147	C143-S145 PolarHBondContact O-N 3.34Å; S145-Y147 PolarHBondContact O-N 3.22Å; S145-Y147 WeakPolarHBondContact OG-CD2 3.35Å; S145-Y147 WeakPolarHBondContact OG-CE2 3.48Å
146	D	54.8	Low	65.4	Low	130 Å²	130	102.4 Å²	102.4	70%	0.695	54%	0.537	S	S	*	.			trans	-77.6	56.7	-171.4	-156.9	16.1	0	0	0	111.8	S205	D146-S205 WeakPolarHBondContact OD1-CB 3.45Å; D146-S205 PolarHBondContact OD1-OG 2.89Å
147	Y	68.8	Low	68.7	Low	178 Å²	178	95.3 Å²	95.3	70%	0.698	50%	0.499	S	S	*	.			trans	-89.1	123.3	172.1	-66	-60.8	0	0	0	109.5	S145 L207	S145-Y147 PolarHBondContact O-N 3.22Å; S145-Y147 WeakPolarHBondContact OG-CD2 3.35Å; S145-Y147 WeakPolarHBondContact OG-CE2 3.48Å; Y147-L207 WeakPolarHBondContact O-CD2 3.46Å
148	G	84.9	Confident	71.7	Confident	37 Å²	37	89.8 Å²	89.8	38%	0.381	46%	0.46	S	S	.	.	S	Bend	trans	118.5	173.4	179.9	0	0	0	0	0	112.7	T206	G148-T206 CarbonylContact C-O 3.51Å; G148-T206 WeakPolarHBondContact CA-O 3.4Å
149	E	94.2	Very high	74.9	Confident	137 Å²	137	81 Å²	81	64%	0.64	42%	0.419	S	S	*	.	B	Isolated β-bridge	trans	-116.2	150.4	-173.9	-65.7	-177.9	163.6	0	0	111.6	K151 T206	E149-K151 HydrophobicContact CB-CG 4.49Å; E149-K151 PolarHBondContact O-N 2.97Å; E149-K151 VanDerWaalsContact O-N 3.17Å; E149-T206 PolarHBondContact N-O 3.14Å; E149-T206 PolarHBondContact O-N 2.93Å; E149-T206 PolarHBondContact O-OG1 3.13Å
150	K	97	Very high	77.8	Confident	86 Å²	86	73.1 Å²	73.1	37%	0.374	38%	0.378	S	S	.	.			trans	-79.8	92.3	170.2	-66.7	-171.1	-178.6	177.9	0	109.8	R200 D201 M203	K150-R200 HydrophobicContact CB-CG 4.21Å; K150-R200 VanDerWaalsContact O-CD 3.27Å; K150-R200 WeakPolarHBondContact O-CD 3.41Å; K150-R200 WeakPolarHBondContact O-CG 3.43Å; K150-D201 PolarHBondContact NZ-O 3.41Å; K150-M203 WeakPolarHBondContact CD-O 3.18Å; K150-M203 WeakPolarHBondContact CE-O 3.42Å; K150-M203 WeakPolarHBondContact CG-O 3.36Å
151	K	96.4	Very high	80.3	Confident	43 Å²	43	65.5 Å²	65.5	19%	0.187	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-83.6	153	175.2	-65.1	175.5	177.5	174.8	0	110.1	E149 M203 E208	E149-K151 HydrophobicContact CB-CG 4.49Å; E149-K151 PolarHBondContact O-N 2.97Å; E149-K151 VanDerWaalsContact O-N 3.17Å; K151-M203 WeakPolarHBondContact O-CB 3.21Å; K151-M203 WeakPolarHBondContact O-CG 3.05Å; K151-E208 VanDerWaalsContact NZ-CD 3.33Å; K151-E208 IonicContact NZ-OE1 3.72Å; K151-E208 PolarHBondContact NZ-OE1 2.8Å; K151-E208 IonicContact NZ-OE2 3.34Å; K151-E208 PolarHBondContact NZ-OE2 3.35Å
152	L	98.2	Very high	82.8	Confident	55 Å²	55	61.7 Å²	61.7	29%	0.288	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-68.8	150.9	169	-75.4	172.1	0	0	0	109.9	Q154 Y199 R200 M232	L152-Q154 PolarHBondContact O-N 3.21Å; L152-Y199 HydrophobicContact CD2-CD1 3.73Å; L152-Y199 HydrophobicContact CD2-CE1 4.22Å; L152-R200 HydrophobicContact CD2-CB 3.9Å; L152-R200 HydrophobicContact CD2-CG 4.44Å; L152-R200 HydrophobicContact CG-CB 4.45Å; L152-M232 HydrophobicContact CB-SD 4.45Å; L152-M232 HydrophobicContact CD1-CG 4.05Å; L152-M232 HydrophobicContact CD1-SD 4.03Å; L152-M232 HydrophobicContact CD2-SD 4.07Å; L152-M232 HydrophobicContact CG-SD 4.42Å
153	P	98.3	Very high	85.8	Confident	2 Å²	2	54.2 Å²	54.2	1%	0.013	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-69.2	122.3	-173.3	26	-32.4	0	0	0	111.9	A155 I156 Y199 M203 T212 E214 I236	P153-A155 VanDerWaalsContact C-N 3.27Å; P153-I156 HydrophobicContact CB-CG1 4.31Å; P153-I156 HydrophobicContact CG-CD1 4.26Å; P153-I156 HydrophobicContact CG-CG1 4.25Å; P153-Y199 HydrophobicContact CG-CE1 3.95Å; P153-Y199 WeakPolarHBondContact CG-OH 3.41Å; P153-M203 HydrophobicContact CB-SD 4.37Å; P153-M203 HydrophobicContact CG-CE 4.03Å; P153-M203 HydrophobicContact CG-SD 4.19Å; P153-T212 CarbonylContact C-O 3.46Å; P153-T212 VanDerWaalsContact CA-O 3.24Å; P153-T212 WeakPolarHBondContact CA-O 3.45Å; P153-T212 HydrophobicContact CB-CG2 4.17Å; P153-T212 WeakPolarHBondContact CB-O 3.27Å; P153-E214 HydrophobicContact CG-CG 4.47Å; P153-I236 VanDerWaalsContact O-CD1 3.29Å; P153-I236 WeakPolarHBondContact O-CD1 3.41Å
154	Q	98.4	Very high	88.7	Confident	79 Å²	79	51 Å²	51	37%	0.369	27%	0.268	S	S	.	.	S	Bend	trans	-78.9	-13	174.6	-51.1	92.9	-26	0	0	112.4	L152 I211 T212 I236 K237	L152-Q154 PolarHBondContact O-N 3.21Å; Q154-I211 HydrophobicContact CB-CG2 4.46Å; Q154-T212 PolarHBondContact N-O 2.79Å; Q154-T212 VanDerWaalsContact N-O 3.15Å; Q154-T212 PolarHBondContact OE1-O 3.02Å; Q154-I236 WeakPolarHBondContact O-CG1 3.46Å; Q154-K237 PolarHBondContact O-N 3.36Å
155	A	98.8	Very high	91.3	Very high	1 Å²	1	46 Å²	46	1%	0.008	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	139.9	172.6	0	0	0	0	0	113.6	P153 I211 M213 K237 L330	P153-A155 VanDerWaalsContact C-N 3.27Å; A155-I211 HydrophobicContact CB-CG2 4.41Å; A155-M213 HydrophobicContact CB-CE 3.87Å; A155-M213 HydrophobicContact CB-CG 4.23Å; A155-M213 WeakPolarHBondContact O-CA 3.41Å; A155-K237 CarbonylContact C-O 3.51Å; A155-K237 WeakPolarHBondContact CA-O 3.39Å; A155-K237 HydrophobicContact CB-CB 3.98Å; A155-L330 HydrophobicContact CB-CD2 3.45Å; A155-L330 VanDerWaalsContact CB-CD2 3.45Å
156	I	98.9	Very high	93.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	129.8	-177.5	-57.8	179.8	0	0	0	111.2	P153 I158 F188 E214 Y219 I229 I236 K237 I239	P153-I156 HydrophobicContact CB-CG1 4.31Å; P153-I156 HydrophobicContact CG-CD1 4.26Å; P153-I156 HydrophobicContact CG-CG1 4.25Å; I156-I158 HydrophobicContact CB-CG2 4.06Å; I156-I158 HydrophobicContact CG2-CG2 3.57Å; I156-I158 PolarHBondContact O-N 3.3Å; I156-F188 HydrophobicContact CD1-CE2 3.95Å; I156-E214 HydrophobicContact CD1-CG 4.37Å; I156-E214 HydrophobicContact CG1-CG 4.07Å; I156-E214 HydrophobicContact CG2-CG 4Å; I156-Y219 HydrophobicContact CG2-CD2 4.03Å; I156-Y219 HydrophobicContact CG2-CE2 4.09Å; I156-I229 HydrophobicContact CD1-CG2 4.43Å; I156-I236 HydrophobicContact CD1-CD1 3.58Å; I156-I236 HydrophobicContact CG1-CD1 3.82Å; I156-K237 PolarHBondContact N-O 2.96Å; I156-I239 PolarHBondContact O-N 2.86Å
157	I	98.9	Very high	95.8	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	85.2	169.1	-52.3	175	0	0	0	109.1	G159 T165 L168 L169 L172 M213 E214 K215 T216 I239 V241	I157-G159 VanDerWaalsContact C-N 3.33Å; I157-G159 PolarHBondContact O-N 3.25Å; I157-T165 HydrophobicContact CG2-CG2 3.71Å; I157-L168 HydrophobicContact CD1-CD2 4.17Å; I157-L168 HydrophobicContact CD1-CG 4.22Å; I157-L169 HydrophobicContact CD1-CB 4.07Å; I157-L169 HydrophobicContact CD1-CD1 3.83Å; I157-L172 HydrophobicContact CD1-CD1 4.15Å; I157-M213 HydrophobicContact CD1-CE 4.48Å; I157-M213 HydrophobicContact CG1-CE 4.16Å; I157-E214 PolarHBondContact N-O 3.43Å; I157-K215 HydrophobicContact CB-CB 4.01Å; I157-K215 HydrophobicContact CB-CG 3.76Å; I157-K215 HydrophobicContact CD1-CB 4.43Å; I157-K215 HydrophobicContact CD1-CG 4.24Å; I157-K215 HydrophobicContact CG2-CG 3.94Å; I157-K215 WeakPolarHBondContact O-CA 3.44Å; I157-T216 PolarHBondContact O-N 3.16Å; I157-I239 CarbonylContact C-O 3.55Å; I157-I239 WeakPolarHBondContact CA-O 3.5Å; I157-I239 HydrophobicContact CB-CB 4.5Å; I157-I239 HydrophobicContact CG1-CB 4.1Å; I157-I239 HydrophobicContact CG1-CD1 4.35Å; I157-I239 HydrophobicContact CG1-CG2 4.33Å; I157-I239 HydrophobicContact CG2-CG2 4.45Å; I157-V241 HydrophobicContact CG2-CG2 4.16Å
158	I	98.9	Very high	97.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	-19.4	-171.9	58.9	169.7	0	0	0	114.3	I156 T216 P217 Y219 F220 I229 L238 I239 I240 W298	I156-I158 HydrophobicContact CB-CG2 4.06Å; I156-I158 HydrophobicContact CG2-CG2 3.57Å; I156-I158 PolarHBondContact O-N 3.3Å; I158-T216 VanDerWaalsContact O-O 3.06Å; I158-P217 CarbonylContact O-C 3.25Å; I158-P217 WeakPolarHBondContact O-CA 3.33Å; I158-Y219 HydrophobicContact CG2-CD2 4.29Å; I158-F220 HydrophobicContact CD1-CD2 4.06Å; I158-F220 HydrophobicContact CG1-CD2 4.47Å; I158-F220 WeakPolarHBondContact O-CB 3.48Å; I158-F220 PolarHBondContact O-N 2.83Å; I158-I229 HydrophobicContact CG2-CD1 4.43Å; I158-L238 HydrophobicContact CD1-CB 4.2Å; I158-L238 HydrophobicContact CD1-CD1 4.39Å; I158-L238 HydrophobicContact CG2-CD2 3.94Å; I158-I239 PolarHBondContact N-O 2.89Å; I158-I240 HydrophobicContact CD1-CD1 4.12Å; I158-I240 HydrophobicContact CD1-CG1 3.86Å; I158-I240 HydrophobicContact CG1-CD1 4.38Å; I158-I240 HydrophobicContact CG1-CG1 3.89Å; I158-W298 HydrophobicContact CB-CH2 4.02Å; I158-W298 HydrophobicContact CB-CZ2 4.21Å; I158-W298 HydrophobicContact CD1-CD2 3.76Å; I158-W298 HydrophobicContact CD1-CE3 3.8Å; I158-W298 HydrophobicContact CD1-CH2 3.67Å; I158-W298 HydrophobicContact CD1-CZ2 3.65Å; I158-W298 HydrophobicContact CD1-CZ3 3.75Å; I158-W298 HydrophobicContact CG1-CH2 4.46Å; I158-W298 HydrophobicContact CG1-CZ2 4.49Å; I158-W298 HydrophobicContact CG2-CH2 3.71Å; I158-W298 HydrophobicContact CG2-CZ2 4.4Å; I158-W298 HydrophobicContact CG2-CZ3 4.15Å
159	G	98.5	Very high	97.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.8	178.9	-171.9	0	0	0	0	0	114.9	I157 T165 I240 V241	I157-G159 VanDerWaalsContact C-N 3.33Å; I157-G159 PolarHBondContact O-N 3.25Å; G159-T165 WeakPolarHBondContact O-CG2 3.3Å; G159-I240 CarbonylContact O-C 3.59Å; G159-I240 WeakPolarHBondContact O-CA 3.11Å; G159-V241 PolarHBondContact O-N 3.06Å
160	V	98.6	Very high	97.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.128	C	C	.	.			cis	-98.6	155.7	-11.1	-49.7	0	0	0	0	111.2	K162 G163 F220 I240 V241 V242 R248 Y291	V160-K162 PolarHBondContact O-N 2.8Å; V160-K162 VanDerWaalsContact O-N 3.14Å; V160-G163 PolarHBondContact O-N 3.07Å; V160-F220 HydrophobicContact CG1-CD1 3.63Å; V160-F220 HydrophobicContact CG1-CE1 3.76Å; V160-F220 HydrophobicContact CG1-CG 4.2Å; V160-F220 HydrophobicContact CG1-CZ 4.44Å; V160-I240 HydrophobicContact CG1-CG2 3.76Å; V160-V241 WeakPolarHBondContact CG2-O 3.35Å; V160-V241 PolarHBondContact N-O 2.98Å; V160-V242 HydrophobicContact CG1-CG1 4.35Å; V160-R248 HydrophobicContact CG2-CG 4.45Å; V160-Y291 HydrophobicContact CB-CE1 4.36Å; V160-Y291 HydrophobicContact CG1-CD1 4.12Å; V160-Y291 HydrophobicContact CG1-CE1 4Å; V160-Y291 HydrophobicContact CG2-CE1 4Å
161	K	98.5	Very high	97.9	Very high	65 Å²	65	21.3 Å²	21.3	28%	0.283	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	121.4	171	-170.7	-166.8	178.4	-154.4	0	109.4	G163 P217 R248 D252 I288	K161-G163 PolarHBondContact O-N 3.34Å; K161-P217 HydrophobicContact CB-CB 4.43Å; K161-P217 PolarHBondContact N-O 3.34Å; K161-R248 VanDerWaalsContact O-CD 3.31Å; K161-R248 WeakPolarHBondContact O-CD 3.4Å; K161-R248 WeakPolarHBondContact O-CG 3.34Å; K161-D252 WeakPolarHBondContact CD-OD2 3.37Å; K161-D252 WeakPolarHBondContact CE-OD1 3.02Å; K161-D252 VanDerWaalsContact CE-OD2 3.31Å; K161-D252 WeakPolarHBondContact CE-OD2 3.23Å; K161-D252 IonicContact NZ-OD1 3.34Å; K161-D252 PolarHBondContact NZ-OD1 3.2Å; K161-D252 IonicContact NZ-OD2 3.37Å; K161-D252 PolarHBondContact NZ-OD2 3.4Å; K161-I288 HydrophobicContact CB-CD1 4.48Å; K161-I288 HydrophobicContact CB-CG2 4.39Å; K161-I288 HydrophobicContact CD-CD1 3.71Å
162	K	98	Very high	97.9	Very high	41 Å²	41	19.2 Å²	19.2	18%	0.178	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	-4.4	-174	-46.4	-56.5	-50.5	-135.4	0	118	V160 R248 S251 D252 Q255	V160-K162 PolarHBondContact O-N 2.8Å; V160-K162 VanDerWaalsContact O-N 3.14Å; K162-R248 HydrophobicContact CB-CG 3.81Å; K162-S251 VanDerWaalsContact CE-O 3.27Å; K162-S251 WeakPolarHBondContact CE-O 3.39Å; K162-S251 WeakPolarHBondContact CE-OG 3.32Å; K162-S251 PolarHBondContact NZ-O 2.94Å; K162-D252 HydrophobicContact CD-CB 4.38Å; K162-D252 HydrophobicContact CG-CB 3.68Å; K162-Q255 VanDerWaalsContact NZ-CB 3.33Å
163	G	97.6	Very high	97.8	Very high	4 Å²	4	21.4 Å²	21.4	4%	0.041	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-43.4	-176.7	0	0	0	0	0	114.2	V160 K161	V160-G163 PolarHBondContact O-N 3.07Å; K161-G163 PolarHBondContact O-N 3.34Å
164	G	97.3	Very high	97.7	Very high	24 Å²	24	23.9 Å²	23.9	25%	0.247	12%	0.122	C	C	.	.	S	Bend	trans	159.6	-10.9	179.4	0	0	0	0	0	114.4	R166 A167	G164-R166 VanDerWaalsContact C-N 3.29Å; G164-R166 PolarHBondContact O-N 2.83Å; G164-A167 WeakPolarHBondContact O-CB 3.45Å; G164-A167 PolarHBondContact O-N 3.28Å
165	T	98.1	Very high	97.6	Very high	10 Å²	10	20.2 Å²	20.2	6%	0.061	11%	0.105	C	C	.	.	H	α-helix	trans	-30.9	-42.5	-173	63.2	0	0	0	0	118.5	I157 G159 L169 K215 P217 V241	I157-T165 HydrophobicContact CG2-CG2 3.71Å; G159-T165 WeakPolarHBondContact O-CG2 3.3Å; T165-L169 PolarHBondContact O-N 2.72Å; T165-K215 VanDerWaalsContact O-CD 3.32Å; T165-K215 WeakPolarHBondContact O-CD 3.41Å; T165-P217 HydrophobicContact CG2-CB 4.29Å; T165-P217 HydrophobicContact CG2-CG 4.15Å; T165-P217 WeakPolarHBondContact OG1-CG 3.47Å; T165-V241 HydrophobicContact CG2-CB 4.03Å; T165-V241 HydrophobicContact CG2-CG2 4.06Å
166	R	96.8	Very high	97.5	Very high	62 Å²	62	23.6 Å²	23.6	23%	0.234	13%	0.127	C	C	.	.	H	α-helix	trans	-75.5	-28.8	178.8	-173.1	55.6	179.9	-119	11.2	113.5	G164 E170 G182 K215	G164-R166 VanDerWaalsContact C-N 3.29Å; G164-R166 PolarHBondContact O-N 2.83Å; R166-E170 IonicContact CZ-OE1 2.64Å; R166-E170 IonicContact NE-OE1 3.98Å; R166-E170 PolarHBondContact NE-OE1 2.86Å; R166-E170 IonicContact NH2-OE1 3.34Å; R166-E170 PolarHBondContact NH2-OE1 3.01Å; R166-E170 WeakPolarHBondContact O-CG 3.41Å; R166-E170 PolarHBondContact O-N 3.1Å; R166-E170 VanDerWaalsContact O-N 3.1Å; R166-G182 PolarHBondContact NH1-O 3.19Å; R166-G182 PolarHBondContact NH2-O 3.5Å; R166-K215 HydrophobicContact CB-CD 4.4Å
167	A	96.7	Very high	97.4	Very high	36 Å²	36	26.4 Å²	26.4	30%	0.298	14%	0.142	S	C	.	.	H	α-helix	trans	-63.9	-48.2	170.3	0	0	0	0	0	110.1	G164 L169 E170 A171 L315 L364	G164-A167 WeakPolarHBondContact O-CB 3.45Å; G164-A167 PolarHBondContact O-N 3.28Å; A167-L169 PolarHBondContact O-N 3.47Å; A167-E170 PolarHBondContact O-N 3.09Å; A167-A171 WeakPolarHBondContact O-CB 3.47Å; A167-A171 PolarHBondContact O-N 2.85Å; A167-L315 HydrophobicContact CB-CD2 4.25Å; A167-L364 HydrophobicContact CB-CD1 3.84Å
168	L	98.3	Very high	97.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-59.4	-45	177	-177.8	59.5	0	0	0	112.1	I157 A171 L172 I239 V241 V310 L315 M323 V326	I157-L168 HydrophobicContact CD1-CD2 4.17Å; I157-L168 HydrophobicContact CD1-CG 4.22Å; L168-A171 PolarHBondContact O-N 3.08Å; L168-L172 HydrophobicContact CD1-CD1 4.13Å; L168-L172 HydrophobicContact CD1-CG 4.23Å; L168-L172 HydrophobicContact CG-CD1 3.9Å; L168-L172 HydrophobicContact CG-CG 4.46Å; L168-L172 WeakPolarHBondContact O-CB 3.5Å; L168-L172 PolarHBondContact O-N 3Å; L168-I239 HydrophobicContact CD2-CG2 3.69Å; L168-V241 HydrophobicContact CB-CG2 4.15Å; L168-V241 HydrophobicContact CD2-CG2 3.44Å; L168-V241 VanDerWaalsContact CD2-CG2 3.44Å; L168-V241 HydrophobicContact CG-CG2 4.44Å; L168-V310 HydrophobicContact CD2-CB 4.48Å; L168-V310 HydrophobicContact CD2-CG1 4.47Å; L168-V310 HydrophobicContact CD2-CG2 3.98Å; L168-L315 HydrophobicContact CB-CD2 3.93Å; L168-L315 HydrophobicContact CD1-CD1 4.44Å; L168-M323 HydrophobicContact CD1-SD 3.59Å; L168-M323 VanDerWaalsContact CD1-SD 3.59Å; L168-V326 HydrophobicContact CD1-CG1 4.42Å; L168-V326 HydrophobicContact CD1-CG2 4.09Å
169	L	98.1	Very high	97.3	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-66.4	-39.8	179.6	-167.6	74.8	0	0	0	113.1	I157 T165 A167 A171 R173 A180 K215	I157-L169 HydrophobicContact CD1-CB 4.07Å; I157-L169 HydrophobicContact CD1-CD1 3.83Å; T165-L169 PolarHBondContact O-N 2.72Å; A167-L169 PolarHBondContact O-N 3.47Å; L169-A171 VanDerWaalsContact C-N 3.32Å; L169-R173 WeakPolarHBondContact O-CB 2.98Å; L169-R173 WeakPolarHBondContact O-CD 3.42Å; L169-R173 WeakPolarHBondContact O-CG 3.37Å; L169-R173 PolarHBondContact O-N 3.34Å; L169-R173 VanDerWaalsContact O-N 3.09Å; L169-A180 HydrophobicContact CD1-CB 3.87Å; L169-A180 HydrophobicContact CG-CB 4.38Å; L169-K215 HydrophobicContact CB-CD 3.98Å; L169-K215 HydrophobicContact CD1-CB 4.33Å; L169-K215 HydrophobicContact CD2-CB 3.86Å; L169-K215 HydrophobicContact CD2-CD 4.03Å; L169-K215 HydrophobicContact CD2-CG 4.49Å
170	E	96.1	Very high	97.3	Very high	20 Å²	20	31.7 Å²	31.7	9%	0.093	16%	0.164	C	C	.	.	H	α-helix	trans	-66.1	-36.3	174.6	-67.2	-66.8	127.9	0	0	111.5	R166 A167 R173 L352 R362 L364	R166-E170 IonicContact CZ-OE1 2.64Å; R166-E170 IonicContact NE-OE1 3.98Å; R166-E170 PolarHBondContact NE-OE1 2.86Å; R166-E170 IonicContact NH2-OE1 3.34Å; R166-E170 PolarHBondContact NH2-OE1 3.01Å; R166-E170 WeakPolarHBondContact O-CG 3.41Å; R166-E170 PolarHBondContact O-N 3.1Å; R166-E170 VanDerWaalsContact O-N 3.1Å; A167-E170 PolarHBondContact O-N 3.09Å; E170-R173 PolarHBondContact O-N 3.43Å; E170-L352 HydrophobicContact CB-CD1 4.11Å; E170-R362 IonicContact OE2-NH1 3.17Å; E170-R362 PolarHBondContact OE2-NH1 2.79Å; E170-L364 HydrophobicContact CB-CD2 4.48Å; E170-L364 HydrophobicContact CG-CD2 3.89Å
171	A	96.3	Very high	97.2	Very high	4 Å²	4	32.4 Å²	32.4	3%	0.033	17%	0.168	C	C	.	.	H	α-helix	trans	-68.3	-42.6	176.1	0	0	0	0	0	112.8	A167 L168 L169 R173 V174 M323 F341 L352	A167-A171 WeakPolarHBondContact O-CB 3.47Å; A167-A171 PolarHBondContact O-N 2.85Å; L168-A171 PolarHBondContact O-N 3.08Å; L169-A171 VanDerWaalsContact C-N 3.32Å; A171-R173 VanDerWaalsContact C-N 3.3Å; A171-R173 PolarHBondContact O-N 3.42Å; A171-V174 WeakPolarHBondContact O-CB 3.34Å; A171-V174 WeakPolarHBondContact O-CG2 3.47Å; A171-V174 PolarHBondContact O-N 3.24Å; A171-M323 HydrophobicContact CB-CE 4.46Å; A171-M323 HydrophobicContact CB-CG 4.21Å; A171-M323 HydrophobicContact CB-SD 3.67Å; A171-F341 HydrophobicContact CB-CE1 4.02Å; A171-F341 HydrophobicContact CB-CZ 3.97Å; A171-L352 HydrophobicContact CB-CD2 4.43Å
172	L	97	Very high	96.8	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61	-37.4	173.8	-83.6	166.3	0	0	0	112.5	I157 L168 V174 H175 V178 M213 M323 V326 L330	I157-L172 HydrophobicContact CD1-CD1 4.15Å; L168-L172 HydrophobicContact CD1-CD1 4.13Å; L168-L172 HydrophobicContact CD1-CG 4.23Å; L168-L172 HydrophobicContact CG-CD1 3.9Å; L168-L172 HydrophobicContact CG-CG 4.46Å; L168-L172 WeakPolarHBondContact O-CB 3.5Å; L168-L172 PolarHBondContact O-N 3Å; L172-V174 PolarHBondContact O-N 3.25Å; L172-V174 VanDerWaalsContact O-N 3.08Å; L172-H175 VanDerWaalsContact O-CB 3.26Å; L172-H175 WeakPolarHBondContact O-CB 3.31Å; L172-H175 PolarHBondContact O-N 3.18Å; L172-V178 HydrophobicContact CB-CG1 4.28Å; L172-V178 WeakPolarHBondContact O-CB 3.39Å; L172-M213 HydrophobicContact CD1-CE 3.89Å; L172-M213 HydrophobicContact CD1-SD 4.14Å; L172-M323 HydrophobicContact CD2-CE 3.78Å; L172-M323 HydrophobicContact CG-CE 3.97Å; L172-M323 HydrophobicContact CG-SD 4.28Å; L172-V326 HydrophobicContact CD1-CG1 4.13Å; L172-V326 HydrophobicContact CD2-CG1 3.91Å; L172-V326 HydrophobicContact CG-CG1 4.4Å; L172-L330 HydrophobicContact CD2-CD1 3.72Å
173	R	96	Very high	96.7	Very high	100 Å²	100	35.3 Å²	35.3	38%	0.377	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	0.2	176.6	-72.5	172	70.4	119.8	14.3	114.9	L169 E170 A171 A180	L169-R173 WeakPolarHBondContact O-CB 2.98Å; L169-R173 WeakPolarHBondContact O-CD 3.42Å; L169-R173 WeakPolarHBondContact O-CG 3.37Å; L169-R173 PolarHBondContact O-N 3.34Å; L169-R173 VanDerWaalsContact O-N 3.09Å; E170-R173 PolarHBondContact O-N 3.43Å; A171-R173 VanDerWaalsContact C-N 3.3Å; A171-R173 PolarHBondContact O-N 3.42Å; R173-A180 HydrophobicContact CG-CB 4.03Å; R173-A180 PolarHBondContact NH1-O 2.96Å
174	V	95.1	Very high	96.7	Very high	54 Å²	54	38.4 Å²	38.4	33%	0.327	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-22.7	167.1	-176.2	0	0	0	0	111.1	A171 L172 V336 H340 L352	A171-V174 WeakPolarHBondContact O-CB 3.34Å; A171-V174 WeakPolarHBondContact O-CG2 3.47Å; A171-V174 PolarHBondContact O-N 3.24Å; L172-V174 PolarHBondContact O-N 3.25Å; L172-V174 VanDerWaalsContact O-N 3.08Å; V174-V336 HydrophobicContact CB-CG2 4.05Å; V174-V336 HydrophobicContact CG1-CG2 4.32Å; V174-H340 HydrophobicContact CG1-CB 4.45Å; V174-L352 HydrophobicContact CG2-CD1 3.91Å; V174-L352 HydrophobicContact CG2-CD2 4.13Å
175	H	96.9	Very high	96.7	Very high	3 Å²	3	37.8 Å²	37.8	1%	0.014	20%	0.202	C	C	.	.	S	Bend	trans	-72.5	130.8	176.6	-164.6	-83.2	0	0	0	110.5	L172 D177 V178 Q327 K333 V336	L172-H175 VanDerWaalsContact O-CB 3.26Å; L172-H175 WeakPolarHBondContact O-CB 3.31Å; L172-H175 PolarHBondContact O-N 3.18Å; H175-D177 IonicContact CE1-OD2 3.6Å; H175-D177 PolarHBondContact CE1-OD2 2.98Å; H175-D177 PolarHBondContact ND1-N 2.79Å; H175-D177 VanDerWaalsContact ND1-N 3.19Å; H175-D177 IonicContact ND1-OD2 3.95Å; H175-D177 PolarHBondContact O-N 3.26Å; H175-V178 HydrophobicContact CB-CB 4.22Å; H175-V178 HydrophobicContact CB-CG2 3.86Å; H175-V178 PolarHBondContact O-N 3.31Å; H175-V178 VanDerWaalsContact O-N 3.16Å; H175-Q327 PolarHBondContact CD2-OE1 2.96Å; H175-K333 PolarHBondContact CD2-O 2.92Å; H175-K333 PolarHBondContact NE2-O 3.1Å; H175-V336 HydrophobicContact CB-CG2 4.04Å
176	P	96.6	Very high	96.7	Very high	72 Å²	72	38.6 Å²	38.6	47%	0.468	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-35.5	-176.8	23.7	-34.1	0	0	0	112.7	V178 Q210 I335	P176-V178 VanDerWaalsContact C-N 3.27Å; P176-V178 PolarHBondContact O-N 2.95Å; P176-Q210 PolarHBondContact O-NE2 2.93Å; P176-I335 HydrophobicContact CG-CD1 3.77Å
177	D	97.9	Very high	96.8	Very high	59 Å²	59	35.7 Å²	35.7	32%	0.316	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	15.4	-177.3	-44.3	-48.4	0	0	0	113.6	H175 Q210 I211 L332	H175-D177 IonicContact CE1-OD2 3.6Å; H175-D177 PolarHBondContact CE1-OD2 2.98Å; H175-D177 PolarHBondContact ND1-N 2.79Å; H175-D177 VanDerWaalsContact ND1-N 3.19Å; H175-D177 IonicContact ND1-OD2 3.95Å; H175-D177 PolarHBondContact O-N 3.26Å; D177-Q210 WeakPolarHBondContact O-CA 3.38Å; D177-I211 PolarHBondContact O-N 3.49Å; D177-L332 HydrophobicContact CB-CD2 4.1Å
178	V	98	Very high	96.9	Very high	6 Å²	6	34 Å²	34	4%	0.036	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	119.5	176.2	177.1	0	0	0	0	111.4	L172 H175 P176 M213 L332	L172-V178 HydrophobicContact CB-CG1 4.28Å; L172-V178 WeakPolarHBondContact O-CB 3.39Å; H175-V178 HydrophobicContact CB-CB 4.22Å; H175-V178 HydrophobicContact CB-CG2 3.86Å; H175-V178 PolarHBondContact O-N 3.31Å; H175-V178 VanDerWaalsContact O-N 3.16Å; P176-V178 VanDerWaalsContact C-N 3.27Å; P176-V178 PolarHBondContact O-N 2.95Å; V178-M213 HydrophobicContact CG1-CG 4.37Å; V178-M213 HydrophobicContact CG1-SD 3.83Å; V178-L332 HydrophobicContact CG2-CD1 3.44Å; V178-L332 VanDerWaalsContact CG2-CD1 3.44Å
179	R	97.9	Very high	96.9	Very high	98 Å²	98	35.5 Å²	35.5	37%	0.37	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	132	175.2	-56.5	-64.3	-70.2	172	-7.6	108.4	P204 T206 Q210 I211 T212 M213	R179-P204 HydrophobicContact CB-CB 4.46Å; R179-P204 HydrophobicContact CB-CG 3.79Å; R179-T206 HydrophobicContact CB-CG2 3.59Å; R179-T206 HydrophobicContact CG-CG2 3.79Å; R179-Q210 HydrophobicContact CG-CB 4.26Å; R179-I211 PolarHBondContact N-O 3.49Å; R179-T212 CarbonylContact O-C 3.52Å; R179-T212 VanDerWaalsContact O-CA 3.32Å; R179-T212 WeakPolarHBondContact O-CA 3.41Å; R179-M213 PolarHBondContact O-N 3.1Å
180	A	97.4	Very high	96.9	Very high	7 Å²	7	43.3 Å²	43.3	6%	0.058	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	147.1	-173.4	0	0	0	0	0	114.6	L169 R173 M213	L169-A180 HydrophobicContact CD1-CB 3.87Å; L169-A180 HydrophobicContact CG-CB 4.38Å; R173-A180 HydrophobicContact CG-CB 4.03Å; R173-A180 PolarHBondContact NH1-O 2.96Å; A180-M213 WeakPolarHBondContact CA-O 3.26Å; A180-M213 HydrophobicContact CB-CB 4.13Å; A180-M213 WeakPolarHBondContact CB-O 3.3Å
181	V	96.6	Very high	97	Very high	15 Å²	15	44.1 Å²	44.1	9%	0.091	22%	0.222	C	C	.	.			trans	-60.4	135.9	174	-168.5	0	0	0	0	110	P185 M203 M213 E214	V181-P185 HydrophobicContact CB-CG 4.4Å; V181-P185 HydrophobicContact CG1-CG 4.16Å; V181-P185 HydrophobicContact CG2-CG 4.41Å; V181-M203 HydrophobicContact CG2-CE 3.98Å; V181-M203 HydrophobicContact CG2-SD 3.47Å; V181-M203 WeakPolarHBondContact CG2-SD 3.17Å; V181-M213 PolarHBondContact N-O 2.85Å; V181-M213 VanDerWaalsContact N-O 3.07Å; V181-E214 HydrophobicContact CB-CB 4.44Å; V181-E214 HydrophobicContact CG2-CB 4.13Å
182	G	90.7	Very high	97.1	Very high	35 Å²	35	47.1 Å²	47.1	36%	0.361	23%	0.233	S	C	.	.	S	Bend	trans	-75.5	-28.8	-176.8	0	0	0	0	0	114.4	R166	R166-G182 PolarHBondContact NH1-O 3.19Å; R166-G182 PolarHBondContact NH2-O 3.5Å
183	N	94.4	Very high	97.2	Very high	132 Å²	132	54.7 Å²	54.7	71%	0.706	27%	0.269	S	S	*	.	S	Bend	trans	-109.2	175.9	179.1	-68.8	-26.9	0	0	0	110.8	P185	N183-P185 WeakPolarHBondContact O-CD 3.33Å
184	E	98.3	Very high	97.3	Very high	68 Å²	68	55.4 Å²	55.4	32%	0.318	27%	0.274	S	S	.	.			trans	-92.2	108.6	177	-43.1	-168	170.6	0	0	107.2	H186 K215 P217	E184-H186 VanDerWaalsContact C-N 3.26Å; E184-H186 PolarHBondContact O-CD2 2.84Å; E184-H186 PolarHBondContact O-N 2.75Å; E184-K215 IonicContact OE1-NZ 2.86Å; E184-K215 PolarHBondContact OE1-NZ 3.02Å; E184-K215 IonicContact OE2-NZ 3.61Å; E184-P217 WeakPolarHBondContact OE2-CD 3.08Å
185	P	98.1	Very high	97.4	Very high	11 Å²	11	54.3 Å²	54.3	7%	0.071	27%	0.274	C	S	.	.			trans	-60.2	-30.6	-170.6	-30.1	37.9	0	0	0	115.1	V181 N183 F187 Y199 L202 E214 T216	V181-P185 HydrophobicContact CB-CG 4.4Å; V181-P185 HydrophobicContact CG1-CG 4.16Å; V181-P185 HydrophobicContact CG2-CG 4.41Å; N183-P185 WeakPolarHBondContact O-CD 3.33Å; P185-F187 PolarHBondContact O-N 2.61Å; P185-Y199 HydrophobicContact CB-CD2 4.31Å; P185-Y199 HydrophobicContact CB-CE2 3.94Å; P185-Y199 HydrophobicContact CG-CE2 4.3Å; P185-L202 HydrophobicContact CB-CD1 4.01Å; P185-E214 HydrophobicContact CG-CB 3.91Å; P185-E214 HydrophobicContact CG-CG 4.25Å; P185-E214 WeakPolarHBondContact CG-OE1 3.5Å; P185-T216 WeakPolarHBondContact CD-OG1 3.3Å
186	H	98.6	Very high	97.5	Very high	28 Å²	28	57.4 Å²	57.4	13%	0.13	29%	0.29	C	S	.	.			trans	52.5	38.6	-174.3	-73.6	-66.3	0	0	0	113.5	E184 D189 R190 N191 T216 S218	E184-H186 VanDerWaalsContact C-N 3.26Å; E184-H186 PolarHBondContact O-CD2 2.84Å; E184-H186 PolarHBondContact O-N 2.75Å; H186-D189 WeakPolarHBondContact CA-OD1 3.49Å; H186-D189 VanDerWaalsContact CB-OD1 3.26Å; H186-D189 WeakPolarHBondContact CB-OD1 3.43Å; H186-D189 IonicContact CE1-OD2 3.52Å; H186-D189 IonicContact CG-OD1 3.15Å; H186-D189 IonicContact CG-OD2 2.73Å; H186-D189 IonicContact ND1-OD1 2.72Å; H186-D189 PolarHBondContact ND1-OD1 2.87Å; H186-D189 VanDerWaalsContact ND1-OD1 3.17Å; H186-D189 IonicContact ND1-OD2 3.15Å; H186-D189 PolarHBondContact ND1-OD2 3.02Å; H186-R190 HydrophobicContact CB-CB 4.25Å; H186-R190 HydrophobicContact CB-CG 4.37Å; H186-R190 PolarHBondContact CD2-NH1 3.44Å; H186-R190 PolarHBondContact CE1-NH1 2.98Å; H186-R190 VanDerWaalsContact CE1-NH1 3.28Å; H186-R190 PolarHBondContact CE1-NH2 3.3Å; H186-R190 PolarHBondContact ND1-NH1 3.41Å; H186-R190 PolarHBondContact ND1-NH2 3.31Å; H186-R190 PolarHBondContact NE2-NH1 3.19Å; H186-R190 CarbonylContact O-C 3.5Å; H186-R190 PolarHBondContact O-N 3.12Å; H186-R190 VanDerWaalsContact O-N 3.14Å; H186-N191 WeakPolarHBondContact O-CB 3.46Å; H186-N191 PolarHBondContact O-N 2.9Å; H186-N191 PolarHBondContact O-ND2 3.37Å; H186-T216 VanDerWaalsContact ND1-CG2 3.29Å; H186-T216 WeakPolarHBondContact ND1-CG2 3.49Å; H186-S218 PolarHBondContact CE1-OG 3.45Å; H186-S218 PolarHBondContact ND1-OG 3.28Å
187	F	98.8	Very high	97.6	Very high	1 Å²	1	58.3 Å²	58.3	0%	0.004	29%	0.291	C	S	.	.	I	π-helix	trans	-74.4	-62.4	-179.2	179.5	-118.3	0	0	0	111	P185 D189 N191 Y192 G195 L196 W198 Y199 Y219	P185-F187 PolarHBondContact O-N 2.61Å; F187-D189 PolarHBondContact O-N 3.01Å; F187-D189 VanDerWaalsContact O-N 3.15Å; F187-N191 CarbonylContact O-C 3.51Å; F187-N191 PolarHBondContact O-N 3.08Å; F187-Y192 HydrophobicContact CD1-CD2 4.32Å; F187-Y192 AromaticContact CE1-CD2 3.77Å; F187-Y192 HydrophobicContact CE1-CD2 3.77Å; F187-Y192 AromaticContact CE1-CE2 3.98Å; F187-Y192 HydrophobicContact CE1-CE2 3.98Å; F187-Y192 HydrophobicContact CE2-CD2 4.29Å; F187-Y192 WeakPolarHBondContact CE2-O 3.42Å; F187-Y192 AromaticContact CZ-CD2 3.75Å; F187-Y192 HydrophobicContact CZ-CD2 3.75Å; F187-Y192 HydrophobicContact CZ-CE2 4.09Å; F187-Y192 WeakPolarHBondContact O-CA 3.38Å; F187-Y192 WeakPolarHBondContact O-CB 3.29Å; F187-Y192 PolarHBondContact O-N 3.36Å; F187-G195 VanDerWaalsContact CE2-O 3.26Å; F187-G195 WeakPolarHBondContact CE2-O 3.44Å; F187-L196 HydrophobicContact CE1-CD2 3.73Å; F187-L196 HydrophobicContact CZ-CD2 3.98Å; F187-W198 HydrophobicContact CB-CZ3 4.36Å; F187-W198 AromaticContact CD2-CE3 3.89Å; F187-W198 HydrophobicContact CD2-CE3 3.89Å; F187-W198 AromaticContact CD2-CZ3 3.85Å; F187-W198 HydrophobicContact CD2-CZ3 3.85Å; F187-W198 HydrophobicContact CE2-CE3 4.39Å; F187-Y199 HydrophobicContact CB-CD2 3.38Å; F187-Y199 HydrophobicContact CB-CE2 3.55Å; F187-Y199 HydrophobicContact CB-CG 4.04Å; F187-Y199 AromaticContact CD1-CD1 3.62Å; F187-Y199 HydrophobicContact CD1-CD1 3.62Å; F187-Y199 AromaticContact CD1-CD2 3.73Å; F187-Y199 HydrophobicContact CD1-CD2 3.73Å; F187-Y199 AromaticContact CD1-CE1 3.96Å; F187-Y199 HydrophobicContact CD1-CE1 3.96Å; F187-Y199 HydrophobicContact CD1-CE2 4.04Å; F187-Y199 AromaticContact CD1-CG 3.49Å; F187-Y199 HydrophobicContact CD1-CG 3.49Å; F187-Y199 VanDerWaalsContact CD1-CG 3.49Å; F187-Y199 HydrophobicContact CD2-CD2 4.24Å; F187-Y199 HydrophobicContact CD2-CG 4.16Å; F187-Y199 AromaticContact CE1-CD1 3.88Å; F187-Y199 HydrophobicContact CE1-CD1 3.88Å; F187-Y199 HydrophobicContact CE1-CE1 4.47Å; F187-Y199 AromaticContact CE1-CG 3.94Å; F187-Y199 HydrophobicContact CE1-CG 3.94Å; F187-Y199 HydrophobicContact CG-CD1 4.24Å; F187-Y199 AromaticContact CG-CD2 3.52Å; F187-Y199 HydrophobicContact CG-CD2 3.52Å; F187-Y199 HydrophobicContact CG-CE2 4.03Å; F187-Y199 AromaticContact CG-CG 3.62Å; F187-Y199 HydrophobicContact CG-CG 3.62Å; F187-Y199 HydrophobicContact CZ-CG 4.44Å; F187-Y219 PolarHBondContact N-OH 2.86Å
188	F	98.7	Very high	97.6	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.29	C	S	.	.	I	π-helix	trans	-69.5	-14.9	-173.3	-61	-67.9	0	0	0	115	I156 Y192 Y199 Y219 A225 R228 I229 M232	I156-F188 HydrophobicContact CD1-CE2 3.95Å; F188-Y192 AromaticContact CD1-CD2 3.9Å; F188-Y192 HydrophobicContact CD1-CD2 3.9Å; F188-Y192 AromaticContact CD1-CE2 3.89Å; F188-Y192 HydrophobicContact CD1-CE2 3.89Å; F188-Y192 HydrophobicContact CE1-CD2 4.43Å; F188-Y192 HydrophobicContact CE1-CE2 4.09Å; F188-Y199 AromaticContact CE2-CE1 3.81Å; F188-Y199 HydrophobicContact CE2-CE1 3.81Å; F188-Y199 AromaticContact CE2-CZ 3.7Å; F188-Y199 WeakPolarHBondContact CE2-OH 3.24Å; F188-Y199 AromaticContact CZ-CE1 3.87Å; F188-Y199 HydrophobicContact CZ-CE1 3.87Å; F188-Y219 HydrophobicContact CB-CD1 4.01Å; F188-Y219 HydrophobicContact CB-CE1 3.73Å; F188-Y219 HydrophobicContact CB-CE2 4.44Å; F188-Y219 HydrophobicContact CB-CG 4.49Å; F188-Y219 HydrophobicContact CD2-CD2 4.29Å; F188-Y219 HydrophobicContact CD2-CE1 4.33Å; F188-Y219 AromaticContact CD2-CE2 3.65Å; F188-Y219 HydrophobicContact CD2-CE2 3.65Å; F188-Y219 AromaticContact CD2-CZ 3.68Å; F188-Y219 PolarHBondContact N-OH 2.99Å; F188-A225 HydrophobicContact CB-CB 4.19Å; F188-R228 HydrophobicContact CD1-CB 3.64Å; F188-R228 HydrophobicContact CE1-CB 4.25Å; F188-R228 WeakPolarHBondContact O-CD 3.47Å; F188-R228 PolarHBondContact O-NH1 2.89Å; F188-I229 HydrophobicContact CB-CD1 4.44Å; F188-I229 HydrophobicContact CB-CG1 4.27Å; F188-I229 HydrophobicContact CD1-CG1 3.82Å; F188-I229 HydrophobicContact CD2-CD1 3.84Å; F188-I229 HydrophobicContact CD2-CG1 3.38Å; F188-I229 HydrophobicContact CE1-CG1 3.88Å; F188-I229 HydrophobicContact CE2-CD1 4.28Å; F188-I229 HydrophobicContact CE2-CG1 3.48Å; F188-I229 VanDerWaalsContact CE2-CG1 3.48Å; F188-I229 HydrophobicContact CG-CD1 4.13Å; F188-I229 HydrophobicContact CG-CG1 3.54Å; F188-I229 HydrophobicContact CZ-CB 4.45Å; F188-I229 HydrophobicContact CZ-CG1 3.72Å; F188-M232 HydrophobicContact CZ-CB 4.4Å; F188-M232 HydrophobicContact CZ-CE 4.12Å; F188-M232 HydrophobicContact CZ-SD 3.78Å
189	D	97.9	Very high	97.6	Very high	31 Å²	31	58.8 Å²	58.8	17%	0.166	29%	0.288	C	S	.	.	I	π-helix	trans	-103.1	-38.4	175.2	67.6	-18.4	0	0	0	114.8	H186 F187 S218 Y219 T222	H186-D189 WeakPolarHBondContact CA-OD1 3.49Å; H186-D189 VanDerWaalsContact CB-OD1 3.26Å; H186-D189 WeakPolarHBondContact CB-OD1 3.43Å; H186-D189 IonicContact CE1-OD2 3.52Å; H186-D189 IonicContact CG-OD1 3.15Å; H186-D189 IonicContact CG-OD2 2.73Å; H186-D189 IonicContact ND1-OD1 2.72Å; H186-D189 PolarHBondContact ND1-OD1 2.87Å; H186-D189 VanDerWaalsContact ND1-OD1 3.17Å; H186-D189 IonicContact ND1-OD2 3.15Å; H186-D189 PolarHBondContact ND1-OD2 3.02Å; F187-D189 PolarHBondContact O-N 3.01Å; F187-D189 VanDerWaalsContact O-N 3.15Å; D189-S218 WeakPolarHBondContact OD2-CB 3.29Å; D189-S218 PolarHBondContact OD2-OG 3.39Å; D189-Y219 HydrophobicContact CB-CD1 4.06Å; D189-Y219 HydrophobicContact CB-CE1 4.28Å; D189-T222 HydrophobicContact CB-CG2 3.81Å
190	R	98.1	Very high	97.6	Very high	166 Å²	166	58.3 Å²	58.3	63%	0.626	29%	0.286	S	S	*	.	I	π-helix	trans	-127.6	-27.6	-173.3	-56.8	-176.3	-164.9	132.1	16.7	116.9	H186	H186-R190 HydrophobicContact CB-CB 4.25Å; H186-R190 HydrophobicContact CB-CG 4.37Å; H186-R190 PolarHBondContact CD2-NH1 3.44Å; H186-R190 PolarHBondContact CE1-NH1 2.98Å; H186-R190 VanDerWaalsContact CE1-NH1 3.28Å; H186-R190 PolarHBondContact CE1-NH2 3.3Å; H186-R190 PolarHBondContact ND1-NH1 3.41Å; H186-R190 PolarHBondContact ND1-NH2 3.31Å; H186-R190 PolarHBondContact NE2-NH1 3.19Å; H186-R190 CarbonylContact O-C 3.5Å; H186-R190 PolarHBondContact O-N 3.12Å; H186-R190 VanDerWaalsContact O-N 3.14Å
191	N	98.3	Very high	97.7	Very high	36 Å²	36	62.3 Å²	62.3	19%	0.193	31%	0.306	C	S	.	.	I	π-helix	trans	-114.8	14.4	-169.7	-65.4	-92.6	0	0	0	113.2	H186 F187 E193 K194 W198	H186-N191 WeakPolarHBondContact O-CB 3.46Å; H186-N191 PolarHBondContact O-N 2.9Å; H186-N191 PolarHBondContact O-ND2 3.37Å; F187-N191 CarbonylContact O-C 3.51Å; F187-N191 PolarHBondContact O-N 3.08Å; N191-E193 VanDerWaalsContact C-N 3.26Å; N191-E193 PolarHBondContact O-N 2.95Å; N191-K194 HydrophobicContact CB-CD 4.15Å; N191-K194 WeakPolarHBondContact O-CB 3.36Å; N191-K194 PolarHBondContact O-N 3.43Å; N191-K194 WeakPolarHBondContact OD1-CE 3.22Å; N191-K194 PolarHBondContact OD1-NZ 3.38Å; N191-W198 HydrophobicContact CB-CE3 4.33Å; N191-W198 HydrophobicContact CB-CH2 3.53Å; N191-W198 HydrophobicContact CB-CZ2 4.48Å; N191-W198 HydrophobicContact CB-CZ3 3.45Å; N191-W198 VanDerWaalsContact CB-CZ3 3.45Å
192	Y	98.4	Very high	97.7	Very high	68 Å²	68	64.8 Å²	64.8	27%	0.267	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-56.5	-38	-170.7	-169	-104.7	0	0	0	113.5	F187 F188 K194 G195 R228	F187-Y192 HydrophobicContact CD1-CD2 4.32Å; F187-Y192 AromaticContact CE1-CD2 3.77Å; F187-Y192 HydrophobicContact CE1-CD2 3.77Å; F187-Y192 AromaticContact CE1-CE2 3.98Å; F187-Y192 HydrophobicContact CE1-CE2 3.98Å; F187-Y192 HydrophobicContact CE2-CD2 4.29Å; F187-Y192 WeakPolarHBondContact CE2-O 3.42Å; F187-Y192 AromaticContact CZ-CD2 3.75Å; F187-Y192 HydrophobicContact CZ-CD2 3.75Å; F187-Y192 HydrophobicContact CZ-CE2 4.09Å; F187-Y192 WeakPolarHBondContact O-CA 3.38Å; F187-Y192 WeakPolarHBondContact O-CB 3.29Å; F187-Y192 PolarHBondContact O-N 3.36Å; F188-Y192 AromaticContact CD1-CD2 3.9Å; F188-Y192 HydrophobicContact CD1-CD2 3.9Å; F188-Y192 AromaticContact CD1-CE2 3.89Å; F188-Y192 HydrophobicContact CD1-CE2 3.89Å; F188-Y192 HydrophobicContact CE1-CD2 4.43Å; F188-Y192 HydrophobicContact CE1-CE2 4.09Å; Y192-K194 PolarHBondContact O-N 2.98Å; Y192-G195 PolarHBondContact O-N 3.18Å; Y192-G195 VanDerWaalsContact O-N 3.07Å; Y192-R228 HydrophobicContact CD1-CG 4.49Å; Y192-R228 VanDerWaalsContact CD1-NE 3.28Å; Y192-R228 HydrophobicContact CD2-CB 4.23Å; Y192-R228 HydrophobicContact CD2-CG 4.08Å; Y192-R228 HydrophobicContact CE1-CG 4.11Å; Y192-R228 HydrophobicContact CE2-CB 3.65Å; Y192-R228 HydrophobicContact CE2-CG 3.67Å; Y192-R228 HydrophobicContact CG-CG 4.46Å; Y192-R228 VanDerWaalsContact CG-NE 3.32Å
193	E	98.2	Very high	98.1	Very high	159 Å²	159	63.2 Å²	63.2	74%	0.743	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-65.8	-6.3	-179.9	-43.9	-44.7	130.9	0	0	114	N191 G195 R228	N191-E193 VanDerWaalsContact C-N 3.26Å; N191-E193 PolarHBondContact O-N 2.95Å; E193-G195 VanDerWaalsContact C-N 3.28Å; E193-R228 IonicContact OE1-NH2 2.62Å; E193-R228 PolarHBondContact OE1-NH2 2.88Å; E193-R228 VanDerWaalsContact OE1-NH2 3.15Å
194	K	98.3	Very high	98.2	Very high	114 Å²	114	58.4 Å²	58.4	50%	0.496	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-81	-5.4	172.5	-60.4	-176.4	-179.4	166.8	0	113.7	N191 Y192 W198	N191-K194 HydrophobicContact CB-CD 4.15Å; N191-K194 WeakPolarHBondContact O-CB 3.36Å; N191-K194 PolarHBondContact O-N 3.43Å; N191-K194 WeakPolarHBondContact OD1-CE 3.22Å; N191-K194 PolarHBondContact OD1-NZ 3.38Å; Y192-K194 PolarHBondContact O-N 2.98Å; K194-W198 HydrophobicContact CB-CB 3.86Å; K194-W198 HydrophobicContact CB-CD2 3.7Å; K194-W198 HydrophobicContact CB-CE3 3.83Å; K194-W198 HydrophobicContact CB-CG 3.7Å; K194-W198 HydrophobicContact CD-CD2 3.63Å; K194-W198 HydrophobicContact CD-CE3 4.03Å; K194-W198 HydrophobicContact CD-CG 4.09Å; K194-W198 HydrophobicContact CD-CH2 4.2Å; K194-W198 HydrophobicContact CD-CZ2 3.81Å; K194-W198 HydrophobicContact CD-CZ3 4.31Å; K194-W198 HydrophobicContact CG-CD2 4.31Å; K194-W198 VanDerWaalsContact O-CB 3.28Å; K194-W198 WeakPolarHBondContact O-CB 3.47Å
195	G	98.3	Very high	98.1	Very high	31 Å²	31	56.4 Å²	56.4	32%	0.32	27%	0.272	S	S	.	.	H	α-helix	trans	78.1	168.2	176.8	0	0	0	0	0	114.7	F187 Y192 E193 Y199	F187-G195 VanDerWaalsContact CE2-O 3.26Å; F187-G195 WeakPolarHBondContact CE2-O 3.44Å; Y192-G195 PolarHBondContact O-N 3.18Å; Y192-G195 VanDerWaalsContact O-N 3.07Å; E193-G195 VanDerWaalsContact C-N 3.28Å; G195-Y199 PolarHBondContact O-N 2.85Å
196	L	98.1	Very high	98.1	Very high	69 Å²	69	56 Å²	56	36%	0.361	27%	0.269	S	S	.	.	H	α-helix	trans	-71.5	-27.1	-176.2	-73.8	172.7	0	0	0	113.3	F187 Y199 R200 M232	F187-L196 HydrophobicContact CE1-CD2 3.73Å; F187-L196 HydrophobicContact CZ-CD2 3.98Å; L196-Y199 HydrophobicContact CD2-CD1 4.32Å; L196-Y199 PolarHBondContact O-N 2.62Å; L196-R200 WeakPolarHBondContact O-CB 3.44Å; L196-R200 PolarHBondContact O-N 3.23Å; L196-M232 HydrophobicContact CD1-CG 4.36Å; L196-M232 HydrophobicContact CD2-CB 4.27Å; L196-M232 HydrophobicContact CD2-CG 3.74Å; L196-M232 HydrophobicContact CD2-SD 3.82Å
197	D	98.3	Very high	98	Very high	91 Å²	91	59 Å²	59	49%	0.487	29%	0.286	S	S	.	.	H	α-helix	trans	-65.5	-47	176.9	-58.3	-71.6	0	0	0	111.4	Y199 R200 D201	D197-Y199 PolarHBondContact O-N 2.92Å; D197-R200 WeakPolarHBondContact O-CB 3.47Å; D197-R200 PolarHBondContact O-N 3.41Å; D197-R200 VanDerWaalsContact O-N 3.17Å; D197-R200 IonicContact OD1-CZ 2.8Å; D197-R200 IonicContact OD1-NH1 2.83Å; D197-R200 PolarHBondContact OD1-NH1 3.16Å; D197-R200 IonicContact OD1-NH2 2.72Å; D197-R200 PolarHBondContact OD1-NH2 3.02Å; D197-D201 PolarHBondContact O-N 2.81Å
198	W	98.4	Very high	97.8	Very high	75 Å²	75	66.7 Å²	66.7	28%	0.284	32%	0.321	S	S	.	.	H	α-helix	trans	-56.9	-39.7	172.5	177.3	81.2	0	0	0	112.2	F187 N191 K194 D201 L202	F187-W198 HydrophobicContact CB-CZ3 4.36Å; F187-W198 AromaticContact CD2-CE3 3.89Å; F187-W198 HydrophobicContact CD2-CE3 3.89Å; F187-W198 AromaticContact CD2-CZ3 3.85Å; F187-W198 HydrophobicContact CD2-CZ3 3.85Å; F187-W198 HydrophobicContact CE2-CE3 4.39Å; N191-W198 HydrophobicContact CB-CE3 4.33Å; N191-W198 HydrophobicContact CB-CH2 3.53Å; N191-W198 HydrophobicContact CB-CZ2 4.48Å; N191-W198 HydrophobicContact CB-CZ3 3.45Å; N191-W198 VanDerWaalsContact CB-CZ3 3.45Å; K194-W198 HydrophobicContact CB-CB 3.86Å; K194-W198 HydrophobicContact CB-CD2 3.7Å; K194-W198 HydrophobicContact CB-CE3 3.83Å; K194-W198 HydrophobicContact CB-CG 3.7Å; K194-W198 HydrophobicContact CD-CD2 3.63Å; K194-W198 HydrophobicContact CD-CE3 4.03Å; K194-W198 HydrophobicContact CD-CG 4.09Å; K194-W198 HydrophobicContact CD-CH2 4.2Å; K194-W198 HydrophobicContact CD-CZ2 3.81Å; K194-W198 HydrophobicContact CD-CZ3 4.31Å; K194-W198 HydrophobicContact CG-CD2 4.31Å; K194-W198 VanDerWaalsContact O-CB 3.28Å; K194-W198 WeakPolarHBondContact O-CB 3.47Å; W198-D201 PolarHBondContact O-N 2.77Å; W198-L202 HydrophobicContact CE3-CD1 4.29Å; W198-L202 HydrophobicContact CH2-CD1 3.62Å; W198-L202 HydrophobicContact CZ2-CD1 3.9Å; W198-L202 HydrophobicContact CZ3-CD1 3.81Å; W198-L202 PolarHBondContact O-N 3.2Å
199	Y	98.6	Very high	97.5	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-69.4	-40.4	178.2	-178.3	-126.8	0	0	0	112.4	L152 P153 P185 F187 F188 G195 L196 D197 D201 L202 M203 E214 M232	L152-Y199 HydrophobicContact CD2-CD1 3.73Å; L152-Y199 HydrophobicContact CD2-CE1 4.22Å; P153-Y199 HydrophobicContact CG-CE1 3.95Å; P153-Y199 WeakPolarHBondContact CG-OH 3.41Å; P185-Y199 HydrophobicContact CB-CD2 4.31Å; P185-Y199 HydrophobicContact CB-CE2 3.94Å; P185-Y199 HydrophobicContact CG-CE2 4.3Å; F187-Y199 HydrophobicContact CB-CD2 3.38Å; F187-Y199 HydrophobicContact CB-CE2 3.55Å; F187-Y199 HydrophobicContact CB-CG 4.04Å; F187-Y199 AromaticContact CD1-CD1 3.62Å; F187-Y199 HydrophobicContact CD1-CD1 3.62Å; F187-Y199 AromaticContact CD1-CD2 3.73Å; F187-Y199 HydrophobicContact CD1-CD2 3.73Å; F187-Y199 AromaticContact CD1-CE1 3.96Å; F187-Y199 HydrophobicContact CD1-CE1 3.96Å; F187-Y199 HydrophobicContact CD1-CE2 4.04Å; F187-Y199 AromaticContact CD1-CG 3.49Å; F187-Y199 HydrophobicContact CD1-CG 3.49Å; F187-Y199 VanDerWaalsContact CD1-CG 3.49Å; F187-Y199 HydrophobicContact CD2-CD2 4.24Å; F187-Y199 HydrophobicContact CD2-CG 4.16Å; F187-Y199 AromaticContact CE1-CD1 3.88Å; F187-Y199 HydrophobicContact CE1-CD1 3.88Å; F187-Y199 HydrophobicContact CE1-CE1 4.47Å; F187-Y199 AromaticContact CE1-CG 3.94Å; F187-Y199 HydrophobicContact CE1-CG 3.94Å; F187-Y199 HydrophobicContact CG-CD1 4.24Å; F187-Y199 AromaticContact CG-CD2 3.52Å; F187-Y199 HydrophobicContact CG-CD2 3.52Å; F187-Y199 HydrophobicContact CG-CE2 4.03Å; F187-Y199 AromaticContact CG-CG 3.62Å; F187-Y199 HydrophobicContact CG-CG 3.62Å; F187-Y199 HydrophobicContact CZ-CG 4.44Å; F188-Y199 AromaticContact CE2-CE1 3.81Å; F188-Y199 HydrophobicContact CE2-CE1 3.81Å; F188-Y199 AromaticContact CE2-CZ 3.7Å; F188-Y199 WeakPolarHBondContact CE2-OH 3.24Å; F188-Y199 AromaticContact CZ-CE1 3.87Å; F188-Y199 HydrophobicContact CZ-CE1 3.87Å; G195-Y199 PolarHBondContact O-N 2.85Å; L196-Y199 HydrophobicContact CD2-CD1 4.32Å; L196-Y199 PolarHBondContact O-N 2.62Å; D197-Y199 PolarHBondContact O-N 2.92Å; Y199-D201 VanDerWaalsContact C-N 3.32Å; Y199-L202 PolarHBondContact O-N 3.39Å; Y199-M203 HydrophobicContact CD1-CE 4.35Å; Y199-M203 HydrophobicContact CD2-CE 3.72Å; Y199-M203 HydrophobicContact CE1-CE 4.07Å; Y199-M203 HydrophobicContact CE2-CE 3.42Å; Y199-M203 VanDerWaalsContact CE2-CE 3.42Å; Y199-M203 HydrophobicContact CG-CE 4.19Å; Y199-M203 VanDerWaalsContact O-CE 3.28Å; Y199-M203 WeakPolarHBondContact O-CE 3.39Å; Y199-E214 WeakPolarHBondContact OH-CG 3.04Å; Y199-E214 PolarHBondContact OH-OE1 2.95Å; Y199-E214 VanDerWaalsContact OH-OE1 3.14Å; Y199-M232 HydrophobicContact CD1-SD 4.06Å; Y199-M232 HydrophobicContact CE1-CE 4.41Å; Y199-M232 HydrophobicContact CE1-SD 3.71Å
200	R	98.3	Very high	97.5	Very high	88 Å²	88	69.1 Å²	69.1	33%	0.332	35%	0.346	S	S	.	.	H	α-helix	trans	-62.3	-38.6	172.6	-172.5	-178.7	64.2	-119.5	-12.1	111.4	K150 L152 L196 D197 L202 M203	K150-R200 HydrophobicContact CB-CG 4.21Å; K150-R200 VanDerWaalsContact O-CD 3.27Å; K150-R200 WeakPolarHBondContact O-CD 3.41Å; K150-R200 WeakPolarHBondContact O-CG 3.43Å; L152-R200 HydrophobicContact CD2-CB 3.9Å; L152-R200 HydrophobicContact CD2-CG 4.44Å; L152-R200 HydrophobicContact CG-CB 4.45Å; L196-R200 WeakPolarHBondContact O-CB 3.44Å; L196-R200 PolarHBondContact O-N 3.23Å; D197-R200 WeakPolarHBondContact O-CB 3.47Å; D197-R200 PolarHBondContact O-N 3.41Å; D197-R200 VanDerWaalsContact O-N 3.17Å; D197-R200 IonicContact OD1-CZ 2.8Å; D197-R200 IonicContact OD1-NH1 2.83Å; D197-R200 PolarHBondContact OD1-NH1 3.16Å; D197-R200 IonicContact OD1-NH2 2.72Å; D197-R200 PolarHBondContact OD1-NH2 3.02Å; R200-L202 PolarHBondContact O-N 2.82Å; R200-M203 VanDerWaalsContact O-CB 3.23Å; R200-M203 WeakPolarHBondContact O-CB 3.13Å; R200-M203 WeakPolarHBondContact O-CG 3.48Å; R200-M203 PolarHBondContact O-N 3.02Å
201	D	97.7	Very high	97.5	Very high	90 Å²	90	62.5 Å²	62.5	48%	0.481	32%	0.323	S	S	.	.	H	α-helix	trans	-67	-21.3	-179.5	-74	-23.6	0	0	0	114.1	K150 D197 W198 Y199 M203	K150-D201 PolarHBondContact NZ-O 3.41Å; D197-D201 PolarHBondContact O-N 2.81Å; W198-D201 PolarHBondContact O-N 2.77Å; Y199-D201 VanDerWaalsContact C-N 3.32Å; D201-M203 VanDerWaalsContact C-N 3.3Å
202	L	97.9	Very high	97.5	Very high	67 Å²	67	60.8 Å²	60.8	35%	0.351	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-15.5	170.4	-62.6	179.7	0	0	0	113.7	P185 W198 Y199 R200	P185-L202 HydrophobicContact CB-CD1 4.01Å; W198-L202 HydrophobicContact CE3-CD1 4.29Å; W198-L202 HydrophobicContact CH2-CD1 3.62Å; W198-L202 HydrophobicContact CZ2-CD1 3.9Å; W198-L202 HydrophobicContact CZ3-CD1 3.81Å; W198-L202 PolarHBondContact O-N 3.2Å; Y199-L202 PolarHBondContact O-N 3.39Å; R200-L202 PolarHBondContact O-N 2.82Å
203	M	98.2	Very high	97.5	Very high	3 Å²	3	57.5 Å²	57.5	2%	0.015	30%	0.301	C	S	.	.	S	Bend	trans	-75.9	145.5	-177.9	-57.2	-61.1	146.4	0	0	110.8	K150 K151 P153 V181 Y199 R200 D201 T212	K150-M203 WeakPolarHBondContact CD-O 3.18Å; K150-M203 WeakPolarHBondContact CE-O 3.42Å; K150-M203 WeakPolarHBondContact CG-O 3.36Å; K151-M203 WeakPolarHBondContact O-CB 3.21Å; K151-M203 WeakPolarHBondContact O-CG 3.05Å; P153-M203 HydrophobicContact CB-SD 4.37Å; P153-M203 HydrophobicContact CG-CE 4.03Å; P153-M203 HydrophobicContact CG-SD 4.19Å; V181-M203 HydrophobicContact CG2-CE 3.98Å; V181-M203 HydrophobicContact CG2-SD 3.47Å; V181-M203 WeakPolarHBondContact CG2-SD 3.17Å; Y199-M203 HydrophobicContact CD1-CE 4.35Å; Y199-M203 HydrophobicContact CD2-CE 3.72Å; Y199-M203 HydrophobicContact CE1-CE 4.07Å; Y199-M203 HydrophobicContact CE2-CE 3.42Å; Y199-M203 VanDerWaalsContact CE2-CE 3.42Å; Y199-M203 HydrophobicContact CG-CE 4.19Å; Y199-M203 VanDerWaalsContact O-CE 3.28Å; Y199-M203 WeakPolarHBondContact O-CE 3.39Å; R200-M203 VanDerWaalsContact O-CB 3.23Å; R200-M203 WeakPolarHBondContact O-CB 3.13Å; R200-M203 WeakPolarHBondContact O-CG 3.48Å; R200-M203 PolarHBondContact O-N 3.02Å; D201-M203 VanDerWaalsContact C-N 3.3Å; M203-T212 HydrophobicContact CB-CG2 3.98Å; M203-T212 HydrophobicContact CG-CG2 4.02Å; M203-T212 HydrophobicContact SD-CG2 3.68Å
204	P	97.2	Very high	97.5	Very high	30 Å²	30	50 Å²	50	20%	0.195	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-67.3	149.7	170.5	30.4	-35.2	0	0	0	110.8	R179 T206	R179-P204 HydrophobicContact CB-CB 4.46Å; R179-P204 HydrophobicContact CB-CG 3.79Å; P204-T206 WeakPolarHBondContact O-CG2 3.5Å
205	S	96.9	Very high	97.5	Very high	27 Å²	27	44.6 Å²	44.6	19%	0.189	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-58.8	137.8	165.3	-41.1	0	0	0	0	109.8	D146	D146-S205 WeakPolarHBondContact OD1-CB 3.45Å; D146-S205 PolarHBondContact OD1-OG 2.89Å
206	T	96.8	Very high	97.6	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.012	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-134.2	140.7	-174	58.7	0	0	0	0	112.3	G148 E149 R179 P204 T212	G148-T206 CarbonylContact C-O 3.51Å; G148-T206 WeakPolarHBondContact CA-O 3.4Å; E149-T206 PolarHBondContact N-O 3.14Å; E149-T206 PolarHBondContact O-N 2.93Å; E149-T206 PolarHBondContact O-OG1 3.13Å; R179-T206 HydrophobicContact CB-CG2 3.59Å; R179-T206 HydrophobicContact CG-CG2 3.79Å; P204-T206 WeakPolarHBondContact O-CG2 3.5Å; T206-T212 WeakPolarHBondContact CG2-OG1 3.39Å
207	L	96.5	Very high	97.6	Very high	91 Å²	91	40.3 Å²	40.3	48%	0.476	21%	0.213	S	C	.	.			trans	-82.7	169.4	171.7	-59.4	178.5	0	0	0	110.7	Y147 Q210	Y147-L207 WeakPolarHBondContact O-CD2 3.46Å; L207-Q210 HydrophobicContact CB-CG 4.18Å; L207-Q210 WeakPolarHBondContact O-CB 3.44Å; L207-Q210 PolarHBondContact O-N 3.47Å
208	E	94	Very high	97.6	Very high	162 Å²	162	37.2 Å²	37.2	76%	0.757	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	144.5	177	-161.5	47.8	-100.6	0	0	111.9	K151 Q210	K151-E208 VanDerWaalsContact NZ-CD 3.33Å; K151-E208 IonicContact NZ-OE1 3.72Å; K151-E208 PolarHBondContact NZ-OE1 2.8Å; K151-E208 IonicContact NZ-OE2 3.34Å; K151-E208 PolarHBondContact NZ-OE2 3.35Å; E208-Q210 PolarHBondContact O-N 2.94Å
209	G	93.8	Very high	97.6	Very high	53 Å²	53	33.6 Å²	33.6	55%	0.546	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	-12.6	-171	0	0	0	0	0	115.5
210	Q	97.3	Very high	97.7	Very high	30 Å²	30	33.8 Å²	33.8	14%	0.14	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-81.1	137.7	176.6	-58.3	-166.5	-52.9	0	0	112.5	P176 D177 R179 L207 E208	P176-Q210 PolarHBondContact O-NE2 2.93Å; D177-Q210 WeakPolarHBondContact O-CA 3.38Å; R179-Q210 HydrophobicContact CG-CB 4.26Å; L207-Q210 HydrophobicContact CB-CG 4.18Å; L207-Q210 WeakPolarHBondContact O-CB 3.44Å; L207-Q210 PolarHBondContact O-N 3.47Å; E208-Q210 PolarHBondContact O-N 2.94Å
211	I	97.9	Very high	97.7	Very high	26 Å²	26	31.7 Å²	31.7	13%	0.133	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	128	174.4	-59.5	-178.6	0	0	0	109.7	Q154 A155 D177 R179 M213 L330 L332	Q154-I211 HydrophobicContact CB-CG2 4.46Å; A155-I211 HydrophobicContact CB-CG2 4.41Å; D177-I211 PolarHBondContact O-N 3.49Å; R179-I211 PolarHBondContact N-O 3.49Å; I211-M213 HydrophobicContact CG2-CG 3.82Å; I211-M213 HydrophobicContact CG2-SD 4.49Å; I211-L330 HydrophobicContact CD1-CB 4.11Å; I211-L332 HydrophobicContact CD1-CD1 4.32Å; I211-L332 HydrophobicContact CD1-CD2 3.69Å; I211-L332 HydrophobicContact CD1-CG 3.94Å; I211-L332 HydrophobicContact CG1-CD2 4.25Å
212	T	98.4	Very high	97.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	132.8	168.5	-61.2	0	0	0	0	110.1	P153 Q154 R179 M203 T206	P153-T212 CarbonylContact C-O 3.46Å; P153-T212 VanDerWaalsContact CA-O 3.24Å; P153-T212 WeakPolarHBondContact CA-O 3.45Å; P153-T212 HydrophobicContact CB-CG2 4.17Å; P153-T212 WeakPolarHBondContact CB-O 3.27Å; Q154-T212 PolarHBondContact N-O 2.79Å; Q154-T212 VanDerWaalsContact N-O 3.15Å; Q154-T212 PolarHBondContact OE1-O 3.02Å; R179-T212 CarbonylContact O-C 3.52Å; R179-T212 VanDerWaalsContact O-CA 3.32Å; R179-T212 WeakPolarHBondContact O-CA 3.41Å; M203-T212 HydrophobicContact CB-CG2 3.98Å; M203-T212 HydrophobicContact CG-CG2 4.02Å; M203-T212 HydrophobicContact SD-CG2 3.68Å; T206-T212 WeakPolarHBondContact CG2-OG1 3.39Å
213	M	98.6	Very high	97.7	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	151.2	-179.7	-57.6	-172.5	69.6	0	0	114.4	A155 I157 L172 V178 R179 A180 V181 I211 I239 L330	A155-M213 HydrophobicContact CB-CE 3.87Å; A155-M213 HydrophobicContact CB-CG 4.23Å; A155-M213 WeakPolarHBondContact O-CA 3.41Å; I157-M213 HydrophobicContact CD1-CE 4.48Å; I157-M213 HydrophobicContact CG1-CE 4.16Å; L172-M213 HydrophobicContact CD1-CE 3.89Å; L172-M213 HydrophobicContact CD1-SD 4.14Å; V178-M213 HydrophobicContact CG1-CG 4.37Å; V178-M213 HydrophobicContact CG1-SD 3.83Å; R179-M213 PolarHBondContact O-N 3.1Å; A180-M213 WeakPolarHBondContact CA-O 3.26Å; A180-M213 HydrophobicContact CB-CB 4.13Å; A180-M213 WeakPolarHBondContact CB-O 3.3Å; V181-M213 PolarHBondContact N-O 2.85Å; V181-M213 VanDerWaalsContact N-O 3.07Å; I211-M213 HydrophobicContact CG2-CG 3.82Å; I211-M213 HydrophobicContact CG2-SD 4.49Å; M213-I239 HydrophobicContact CE-CD1 3.83Å; M213-L330 HydrophobicContact CE-CD1 4.25Å; M213-L330 HydrophobicContact CE-CD2 4.41Å; M213-L330 HydrophobicContact SD-CD1 4.05Å
214	E	98.6	Very high	97.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	176.9	163.2	76.4	112.2	109.4	0	0	112.5	P153 I156 I157 V181 P185 Y199 T216 Y219	P153-E214 HydrophobicContact CG-CG 4.47Å; I156-E214 HydrophobicContact CD1-CG 4.37Å; I156-E214 HydrophobicContact CG1-CG 4.07Å; I156-E214 HydrophobicContact CG2-CG 4Å; I157-E214 PolarHBondContact N-O 3.43Å; V181-E214 HydrophobicContact CB-CB 4.44Å; V181-E214 HydrophobicContact CG2-CB 4.13Å; P185-E214 HydrophobicContact CG-CB 3.91Å; P185-E214 HydrophobicContact CG-CG 4.25Å; P185-E214 WeakPolarHBondContact CG-OE1 3.5Å; Y199-E214 WeakPolarHBondContact OH-CG 3.04Å; Y199-E214 PolarHBondContact OH-OE1 2.95Å; Y199-E214 VanDerWaalsContact OH-OE1 3.14Å; E214-T216 PolarHBondContact OE1-OG1 3.02Å; E214-T216 WeakPolarHBondContact OE2-CB 3.21Å; E214-T216 PolarHBondContact OE2-N 2.81Å; E214-T216 PolarHBondContact OE2-OG1 2.95Å; E214-Y219 VanDerWaalsContact OE1-CE2 3.24Å; E214-Y219 WeakPolarHBondContact OE1-CE2 3.42Å; E214-Y219 PolarHBondContact OE1-OH 2.69Å
215	K	98.8	Very high	97.7	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.009	20%	0.202	C	C	.	.			trans	-152.1	94.9	-174.2	-177.6	-145.4	64.8	54.4	0	111.2	I157 T165 R166 L169 E184	I157-K215 HydrophobicContact CB-CB 4.01Å; I157-K215 HydrophobicContact CB-CG 3.76Å; I157-K215 HydrophobicContact CD1-CB 4.43Å; I157-K215 HydrophobicContact CD1-CG 4.24Å; I157-K215 HydrophobicContact CG2-CG 3.94Å; I157-K215 WeakPolarHBondContact O-CA 3.44Å; T165-K215 VanDerWaalsContact O-CD 3.32Å; T165-K215 WeakPolarHBondContact O-CD 3.41Å; R166-K215 HydrophobicContact CB-CD 4.4Å; L169-K215 HydrophobicContact CB-CD 3.98Å; L169-K215 HydrophobicContact CD1-CB 4.33Å; L169-K215 HydrophobicContact CD2-CB 3.86Å; L169-K215 HydrophobicContact CD2-CD 4.03Å; L169-K215 HydrophobicContact CD2-CG 4.49Å; E184-K215 IonicContact OE1-NZ 2.86Å; E184-K215 PolarHBondContact OE1-NZ 3.02Å; E184-K215 IonicContact OE2-NZ 3.61Å
216	T	98.8	Very high	97.8	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.194	C	C	.	.			trans	-121.4	96.3	175.9	-56.1	0	0	0	0	110.8	I157 I158 P185 H186 E214 S218 Y219	I157-T216 PolarHBondContact O-N 3.16Å; I158-T216 VanDerWaalsContact O-O 3.06Å; P185-T216 WeakPolarHBondContact CD-OG1 3.3Å; H186-T216 VanDerWaalsContact ND1-CG2 3.29Å; H186-T216 WeakPolarHBondContact ND1-CG2 3.49Å; E214-T216 PolarHBondContact OE1-OG1 3.02Å; E214-T216 WeakPolarHBondContact OE2-CB 3.21Å; E214-T216 PolarHBondContact OE2-N 2.81Å; E214-T216 PolarHBondContact OE2-OG1 2.95Å; T216-S218 PolarHBondContact O-N 3.34Å; T216-Y219 VanDerWaalsContact CB-CE2 3.48Å; T216-Y219 HydrophobicContact CG2-CD1 3.67Å; T216-Y219 HydrophobicContact CG2-CD2 4.48Å; T216-Y219 HydrophobicContact CG2-CE1 3.42Å; T216-Y219 VanDerWaalsContact CG2-CE1 3.42Å; T216-Y219 HydrophobicContact CG2-CE2 4.28Å; T216-Y219 HydrophobicContact CG2-CG 4.2Å; T216-Y219 PolarHBondContact O-N 2.85Å; T216-Y219 VanDerWaalsContact O-N 3.08Å; T216-Y219 PolarHBondContact OG1-OH 2.78Å
217	P	98.8	Very high	97.9	Very high	9 Å²	9	40.7 Å²	40.7	6%	0.058	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	0.6	-167.6	-18.4	34.2	0	0	0	115.8	I158 K161 T165 E184	I158-P217 CarbonylContact O-C 3.25Å; I158-P217 WeakPolarHBondContact O-CA 3.33Å; K161-P217 HydrophobicContact CB-CB 4.43Å; K161-P217 PolarHBondContact N-O 3.34Å; T165-P217 HydrophobicContact CG2-CB 4.29Å; T165-P217 HydrophobicContact CG2-CG 4.15Å; T165-P217 WeakPolarHBondContact OG1-CG 3.47Å; E184-P217 WeakPolarHBondContact OE2-CD 3.08Å
218	S	98.7	Very high	98	Very high	26 Å²	26	38.9 Å²	38.9	18%	0.182	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-20.4	171.1	37.8	0	0	0	0	112.8	H186 D189 T216 F220 V221 T222	H186-S218 PolarHBondContact CE1-OG 3.45Å; H186-S218 PolarHBondContact ND1-OG 3.28Å; D189-S218 WeakPolarHBondContact OD2-CB 3.29Å; D189-S218 PolarHBondContact OD2-OG 3.39Å; T216-S218 PolarHBondContact O-N 3.34Å; S218-F220 VanDerWaalsContact C-N 3.27Å; S218-F220 PolarHBondContact O-N 3.44Å; S218-V221 WeakPolarHBondContact O-CG2 3.49Å; S218-V221 PolarHBondContact O-N 2.96Å; S218-T222 PolarHBondContact O-N 3.04Å; S218-T222 PolarHBondContact O-OG1 3.14Å
219	Y	98.9	Very high	98.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-55.3	-44.6	179.2	-67.2	-15.6	0	0	0	111.1	I156 I158 F187 F188 D189 E214 T216 V221 T222 I229 W298	I156-Y219 HydrophobicContact CG2-CD2 4.03Å; I156-Y219 HydrophobicContact CG2-CE2 4.09Å; I158-Y219 HydrophobicContact CG2-CD2 4.29Å; F187-Y219 PolarHBondContact N-OH 2.86Å; F188-Y219 HydrophobicContact CB-CD1 4.01Å; F188-Y219 HydrophobicContact CB-CE1 3.73Å; F188-Y219 HydrophobicContact CB-CE2 4.44Å; F188-Y219 HydrophobicContact CB-CG 4.49Å; F188-Y219 HydrophobicContact CD2-CD2 4.29Å; F188-Y219 HydrophobicContact CD2-CE1 4.33Å; F188-Y219 AromaticContact CD2-CE2 3.65Å; F188-Y219 HydrophobicContact CD2-CE2 3.65Å; F188-Y219 AromaticContact CD2-CZ 3.68Å; F188-Y219 PolarHBondContact N-OH 2.99Å; D189-Y219 HydrophobicContact CB-CD1 4.06Å; D189-Y219 HydrophobicContact CB-CE1 4.28Å; E214-Y219 VanDerWaalsContact OE1-CE2 3.24Å; E214-Y219 WeakPolarHBondContact OE1-CE2 3.42Å; E214-Y219 PolarHBondContact OE1-OH 2.69Å; T216-Y219 VanDerWaalsContact CB-CE2 3.48Å; T216-Y219 HydrophobicContact CG2-CD1 3.67Å; T216-Y219 HydrophobicContact CG2-CD2 4.48Å; T216-Y219 HydrophobicContact CG2-CE1 3.42Å; T216-Y219 VanDerWaalsContact CG2-CE1 3.42Å; T216-Y219 HydrophobicContact CG2-CE2 4.28Å; T216-Y219 HydrophobicContact CG2-CG 4.2Å; T216-Y219 PolarHBondContact O-N 2.85Å; T216-Y219 VanDerWaalsContact O-N 3.08Å; T216-Y219 PolarHBondContact OG1-OH 2.78Å; Y219-V221 PolarHBondContact O-N 3.32Å; Y219-T222 WeakPolarHBondContact O-CB 3.31Å; Y219-T222 PolarHBondContact O-N 3.26Å; Y219-I229 HydrophobicContact CD2-CD1 4.27Å; Y219-W298 WeakPolarHBondContact O-CZ2 3.44Å
220	F	98.8	Very high	98.5	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.018	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-50.9	-30.3	-178.1	-175.9	-106.4	0	0	0	114.6	I158 V160 S218 I240 Y291 H294 W298	I158-F220 HydrophobicContact CD1-CD2 4.06Å; I158-F220 HydrophobicContact CG1-CD2 4.47Å; I158-F220 WeakPolarHBondContact O-CB 3.48Å; I158-F220 PolarHBondContact O-N 2.83Å; V160-F220 HydrophobicContact CG1-CD1 3.63Å; V160-F220 HydrophobicContact CG1-CE1 3.76Å; V160-F220 HydrophobicContact CG1-CG 4.2Å; V160-F220 HydrophobicContact CG1-CZ 4.44Å; S218-F220 VanDerWaalsContact C-N 3.27Å; S218-F220 PolarHBondContact O-N 3.44Å; F220-I240 HydrophobicContact CD2-CG1 4.14Å; F220-I240 HydrophobicContact CD2-CG2 4.1Å; F220-I240 HydrophobicContact CE2-CG1 4.11Å; F220-I240 HydrophobicContact CE2-CG2 3.95Å; F220-I240 HydrophobicContact CZ-CG2 4.34Å; F220-Y291 HydrophobicContact CE1-CD1 4.15Å; F220-H294 HydrophobicContact CD1-CB 3.95Å; F220-H294 HydrophobicContact CE1-CB 3.42Å; F220-H294 VanDerWaalsContact CE1-CB 3.42Å; F220-H294 AromaticContact CE1-CG 3.94Å; F220-H294 HydrophobicContact CE2-CB 4.29Å; F220-H294 HydrophobicContact CZ-CB 3.61Å; F220-W298 AromaticContact CD2-NE1 3.72Å; F220-W298 PolarHBondContact O-NE1 2.93Å
221	V	98.4	Very high	98.5	Very high	43 Å²	43	33.9 Å²	33.9	26%	0.261	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-111.2	17	-179.7	-54.6	0	0	0	0	113.3	S218 Y219 I288	S218-V221 WeakPolarHBondContact O-CG2 3.49Å; S218-V221 PolarHBondContact O-N 2.96Å; Y219-V221 PolarHBondContact O-N 3.32Å; V221-I288 HydrophobicContact CG1-CB 4.45Å; V221-I288 HydrophobicContact CG1-CG1 4.12Å; V221-I288 HydrophobicContact CG1-CG2 4.29Å; V221-I288 HydrophobicContact CG2-CG1 4.31Å
222	T	98.5	Very high	98.5	Very high	30 Å²	30	34.2 Å²	34.2	18%	0.184	18%	0.178	C	C	.	.			trans	-104.1	108.1	-179.8	-61.4	0	0	0	0	109.5	D189 S218 Y219 H224 A225 P226	D189-T222 HydrophobicContact CB-CG2 3.81Å; S218-T222 PolarHBondContact O-N 3.04Å; S218-T222 PolarHBondContact O-OG1 3.14Å; Y219-T222 WeakPolarHBondContact O-CB 3.31Å; Y219-T222 PolarHBondContact O-N 3.26Å; T222-H224 PolarHBondContact O-N 2.79Å; T222-A225 HydrophobicContact CG2-CB 4.06Å; T222-A225 WeakPolarHBondContact O-CB 3.22Å; T222-A225 PolarHBondContact O-N 3.05Å; T222-P226 WeakPolarHBondContact O-CD 3.31Å
223	N	97.1	Very high	98.4	Very high	133 Å²	133	35.3 Å²	35.3	71%	0.711	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.7	-35	-171.9	-59.1	-2.3	0	0	0	114.9
224	H	97.8	Very high	98.3	Very high	123 Å²	123	42.1 Å²	42.1	57%	0.569	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-12.8	-178.8	-55	-58.2	0	0	0	114.4	T222 K227 R228	T222-H224 PolarHBondContact O-N 2.79Å; H224-K227 PolarHBondContact O-N 3.11Å; H224-R228 WeakPolarHBondContact O-CB 3.24Å; H224-R228 VanDerWaalsContact O-CG 3.25Å; H224-R228 WeakPolarHBondContact O-CG 3.44Å; H224-R228 PolarHBondContact O-N 3.19Å
225	A	98.7	Very high	98.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.3	-42.8	-176.1	0	0	0	0	0	113.8	F188 T222 K227 R228 I229 W298	F188-A225 HydrophobicContact CB-CB 4.19Å; T222-A225 HydrophobicContact CG2-CB 4.06Å; T222-A225 WeakPolarHBondContact O-CB 3.22Å; T222-A225 PolarHBondContact O-N 3.05Å; A225-K227 PolarHBondContact O-N 3.03Å; A225-R228 PolarHBondContact O-N 3.19Å; A225-I229 HydrophobicContact CB-CD1 4.33Å; A225-I229 WeakPolarHBondContact O-CB 3.15Å; A225-I229 WeakPolarHBondContact O-CD1 2.89Å; A225-I229 VanDerWaalsContact O-CG1 3.26Å; A225-I229 WeakPolarHBondContact O-CG1 3.22Å; A225-I229 PolarHBondContact O-N 3.16Å; A225-W298 HydrophobicContact CB-CH2 4.26Å; A225-W298 HydrophobicContact CB-CZ2 4.28Å
226	P	98.8	Very high	98.2	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.006	25%	0.249	C	C	.	.	H	α-helix	trans	-55.7	-51.2	176.9	-23.9	31.7	0	0	0	112.3	T222 I229 H230 W298 Y301 F302	T222-P226 WeakPolarHBondContact O-CD 3.31Å; P226-I229 PolarHBondContact O-N 2.91Å; P226-H230 WeakPolarHBondContact O-CB 3.5Å; P226-H230 PolarHBondContact O-N 3.37Å; P226-W298 HydrophobicContact CB-CD2 4.13Å; P226-W298 HydrophobicContact CB-CE3 3.99Å; P226-W298 HydrophobicContact CB-CZ3 4.37Å; P226-W298 HydrophobicContact CG-CD2 3.69Å; P226-W298 HydrophobicContact CG-CE3 4.01Å; P226-W298 HydrophobicContact CG-CG 4.06Å; P226-W298 HydrophobicContact CG-CH2 4.44Å; P226-W298 HydrophobicContact CG-CZ2 4.1Å; P226-W298 HydrophobicContact CG-CZ3 4.39Å; P226-Y301 HydrophobicContact CB-CD2 3.53Å; P226-Y301 HydrophobicContact CB-CE2 4.16Å; P226-Y301 HydrophobicContact CB-CG 4.05Å; P226-F302 WeakPolarHBondContact O-CE2 3.37Å
227	K	98.6	Very high	98.2	Very high	122 Å²	122	51.3 Å²	51.3	53%	0.53	26%	0.263	S	S	.	.	H	α-helix	trans	-59.7	-49.7	178	-173.8	172.9	-179	177.6	0	111.8	H224 A225 I229 H230 S231 Y301	H224-K227 PolarHBondContact O-N 3.11Å; A225-K227 PolarHBondContact O-N 3.03Å; K227-I229 PolarHBondContact O-N 2.74Å; K227-H230 PolarHBondContact O-N 3.48Å; K227-S231 WeakPolarHBondContact O-CB 3.47Å; K227-S231 PolarHBondContact O-N 3.05Å; K227-S231 PolarHBondContact O-OG 3.3Å; K227-Y301 HydrophobicContact CB-CD1 4.24Å; K227-Y301 HydrophobicContact CB-CE1 3.59Å; K227-Y301 HydrophobicContact CB-CE2 4.38Å; K227-Y301 HydrophobicContact CD-CE1 4.33Å; K227-Y301 HydrophobicContact CG-CE1 3.73Å
228	R	98.7	Very high	98.2	Very high	52 Å²	52	50.9 Å²	50.9	20%	0.196	26%	0.26	C	S	.	.	H	α-helix	trans	-63.2	-38.9	-177.8	-72.1	172.3	158.5	170.3	-6.7	112.6	F188 Y192 E193 H224 A225 M232	F188-R228 HydrophobicContact CD1-CB 3.64Å; F188-R228 HydrophobicContact CE1-CB 4.25Å; F188-R228 WeakPolarHBondContact O-CD 3.47Å; F188-R228 PolarHBondContact O-NH1 2.89Å; Y192-R228 HydrophobicContact CD1-CG 4.49Å; Y192-R228 VanDerWaalsContact CD1-NE 3.28Å; Y192-R228 HydrophobicContact CD2-CB 4.23Å; Y192-R228 HydrophobicContact CD2-CG 4.08Å; Y192-R228 HydrophobicContact CE1-CG 4.11Å; Y192-R228 HydrophobicContact CE2-CB 3.65Å; Y192-R228 HydrophobicContact CE2-CG 3.67Å; Y192-R228 HydrophobicContact CG-CG 4.46Å; Y192-R228 VanDerWaalsContact CG-NE 3.32Å; E193-R228 IonicContact OE1-NH2 2.62Å; E193-R228 PolarHBondContact OE1-NH2 2.88Å; E193-R228 VanDerWaalsContact OE1-NH2 3.15Å; H224-R228 WeakPolarHBondContact O-CB 3.24Å; H224-R228 VanDerWaalsContact O-CG 3.25Å; H224-R228 WeakPolarHBondContact O-CG 3.44Å; H224-R228 PolarHBondContact O-N 3.19Å; A225-R228 PolarHBondContact O-N 3.19Å; R228-M232 PolarHBondContact O-N 3.49Å
229	I	98.8	Very high	98.2	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-70.5	-44.6	177.5	-66.5	161	0	0	0	110.4	I156 I158 F188 Y219 A225 P226 K227 S231 M232 A233 I236 L238 W298 F302	I156-I229 HydrophobicContact CD1-CG2 4.43Å; I158-I229 HydrophobicContact CG2-CD1 4.43Å; F188-I229 HydrophobicContact CB-CD1 4.44Å; F188-I229 HydrophobicContact CB-CG1 4.27Å; F188-I229 HydrophobicContact CD1-CG1 3.82Å; F188-I229 HydrophobicContact CD2-CD1 3.84Å; F188-I229 HydrophobicContact CD2-CG1 3.38Å; F188-I229 HydrophobicContact CE1-CG1 3.88Å; F188-I229 HydrophobicContact CE2-CD1 4.28Å; F188-I229 HydrophobicContact CE2-CG1 3.48Å; F188-I229 VanDerWaalsContact CE2-CG1 3.48Å; F188-I229 HydrophobicContact CG-CD1 4.13Å; F188-I229 HydrophobicContact CG-CG1 3.54Å; F188-I229 HydrophobicContact CZ-CB 4.45Å; F188-I229 HydrophobicContact CZ-CG1 3.72Å; Y219-I229 HydrophobicContact CD2-CD1 4.27Å; A225-I229 HydrophobicContact CB-CD1 4.33Å; A225-I229 WeakPolarHBondContact O-CB 3.15Å; A225-I229 WeakPolarHBondContact O-CD1 2.89Å; A225-I229 VanDerWaalsContact O-CG1 3.26Å; A225-I229 WeakPolarHBondContact O-CG1 3.22Å; A225-I229 PolarHBondContact O-N 3.16Å; P226-I229 PolarHBondContact O-N 2.91Å; K227-I229 PolarHBondContact O-N 2.74Å; I229-S231 PolarHBondContact O-N 3.4Å; I229-M232 WeakPolarHBondContact O-CB 3.23Å; I229-M232 PolarHBondContact O-N 2.83Å; I229-A233 PolarHBondContact O-N 3.24Å; I229-I236 HydrophobicContact CG2-CD1 3.95Å; I229-I236 HydrophobicContact CG2-CG2 3.8Å; I229-L238 HydrophobicContact CG2-CD2 4.4Å; I229-W298 HydrophobicContact CD1-CH2 3.53Å; I229-W298 HydrophobicContact CD1-CZ3 3.82Å; I229-F302 HydrophobicContact CB-CZ 4.1Å; I229-F302 HydrophobicContact CG2-CZ 3.8Å
230	H	98.6	Very high	98.2	Very high	55 Å²	55	49.7 Å²	49.7	26%	0.255	25%	0.252	S	S	.	.	H	α-helix	trans	-63.6	-31.4	177.3	176.2	-97.8	0	0	0	112.1	P226 K227 M232 K234 Y301 F302	P226-H230 WeakPolarHBondContact O-CB 3.5Å; P226-H230 PolarHBondContact O-N 3.37Å; K227-H230 PolarHBondContact O-N 3.48Å; H230-M232 VanDerWaalsContact C-N 3.31Å; H230-K234 WeakPolarHBondContact O-CG 3.32Å; H230-Y301 HydrophobicContact CB-CD1 4.27Å; H230-Y301 PolarHBondContact CD2-O 3.23Å; H230-F302 HydrophobicContact CB-CE1 3.95Å; H230-F302 HydrophobicContact CB-CE2 4.09Å; H230-F302 HydrophobicContact CB-CZ 3.56Å
231	S	98.3	Very high	98.2	Very high	86 Å²	86	49.5 Å²	49.5	60%	0.601	25%	0.251	S	S	*	.	H	α-helix	trans	-69.1	-23	170.8	-71.2	0	0	0	0	114.2	K227 I229	K227-S231 WeakPolarHBondContact O-CB 3.47Å; K227-S231 PolarHBondContact O-N 3.05Å; K227-S231 PolarHBondContact O-OG 3.3Å; I229-S231 PolarHBondContact O-N 3.4Å
232	M	98.3	Very high	98.3	Very high	33 Å²	33	47.4 Å²	47.4	16%	0.163	24%	0.238	C	C	.	.	H	α-helix	trans	-84.8	-51	174.1	-178.5	-168	73.6	0	0	111.5	L152 F188 L196 Y199 R228 I229 H230 I236	L152-M232 HydrophobicContact CB-SD 4.45Å; L152-M232 HydrophobicContact CD1-CG 4.05Å; L152-M232 HydrophobicContact CD1-SD 4.03Å; L152-M232 HydrophobicContact CD2-SD 4.07Å; L152-M232 HydrophobicContact CG-SD 4.42Å; F188-M232 HydrophobicContact CZ-CB 4.4Å; F188-M232 HydrophobicContact CZ-CE 4.12Å; F188-M232 HydrophobicContact CZ-SD 3.78Å; L196-M232 HydrophobicContact CD1-CG 4.36Å; L196-M232 HydrophobicContact CD2-CB 4.27Å; L196-M232 HydrophobicContact CD2-CG 3.74Å; L196-M232 HydrophobicContact CD2-SD 3.82Å; Y199-M232 HydrophobicContact CD1-SD 4.06Å; Y199-M232 HydrophobicContact CE1-CE 4.41Å; Y199-M232 HydrophobicContact CE1-SD 3.71Å; R228-M232 PolarHBondContact O-N 3.49Å; I229-M232 WeakPolarHBondContact O-CB 3.23Å; I229-M232 PolarHBondContact O-N 2.83Å; H230-M232 VanDerWaalsContact C-N 3.31Å; M232-I236 HydrophobicContact CE-CD1 3.67Å
233	A	96.5	Very high	98.3	Very high	23 Å²	23	48 Å²	48	19%	0.19	24%	0.237	C	C	.	.			trans	-150.4	123.1	-178.3	0	0	0	0	0	109.4	I229 I236	I229-A233 PolarHBondContact O-N 3.24Å; A233-I236 HydrophobicContact CB-CB 3.99Å; A233-I236 VanDerWaalsContact O-CG2 3.27Å; A233-I236 WeakPolarHBondContact O-CG2 3.46Å
234	K	96.9	Very high	98.3	Very high	142 Å²	142	41.7 Å²	41.7	62%	0.617	20%	0.204	S	C	*	.	S	Bend	trans	-82.5	-29.1	-174.7	-60.7	-174.2	-178.2	176.8	0	112.7	H230 Q306	H230-K234 WeakPolarHBondContact O-CG 3.32Å; K234-Q306 PolarHBondContact O-NE2 2.94Å; K234-Q306 PolarHBondContact O-OE1 2.83Å
235	D	96.4	Very high	98.3	Very high	128 Å²	128	35.9 Å²	35.9	68%	0.684	18%	0.176	S	C	*	.	S	Bend	trans	-91	-4.6	-175.8	60.8	-49.9	0	0	0	113.9	Q306	D235-Q306 PolarHBondContact O-NE2 2.84Å
236	I	98.4	Very high	98.3	Very high	2 Å²	2	36 Å²	36	1%	0.01	18%	0.177	C	C	.	.			trans	-55.7	143.5	-177.9	-160.9	176.6	0	0	0	112.8	P153 Q154 I156 I229 M232 A233 L238 F302 Q306	P153-I236 VanDerWaalsContact O-CD1 3.29Å; P153-I236 WeakPolarHBondContact O-CD1 3.41Å; Q154-I236 WeakPolarHBondContact O-CG1 3.46Å; I156-I236 HydrophobicContact CD1-CD1 3.58Å; I156-I236 HydrophobicContact CG1-CD1 3.82Å; I229-I236 HydrophobicContact CG2-CD1 3.95Å; I229-I236 HydrophobicContact CG2-CG2 3.8Å; M232-I236 HydrophobicContact CE-CD1 3.67Å; A233-I236 HydrophobicContact CB-CB 3.99Å; A233-I236 VanDerWaalsContact O-CG2 3.27Å; A233-I236 WeakPolarHBondContact O-CG2 3.46Å; I236-L238 HydrophobicContact CG2-CD2 4.19Å; I236-F302 HydrophobicContact CG2-CD1 4.47Å; I236-F302 HydrophobicContact CG2-CE1 3.65Å; I236-F302 HydrophobicContact CG2-CZ 4.18Å; I236-Q306 PolarHBondContact O-NE2 3.14Å
237	K	98.9	Very high	98.3	Very high	66 Å²	66	37.4 Å²	37.4	29%	0.287	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	130.9	179.6	-66	-175.9	-177.6	-175.8	0	111.6	Q154 A155 I156 F329 L330	Q154-K237 PolarHBondContact O-N 3.36Å; A155-K237 CarbonylContact C-O 3.51Å; A155-K237 WeakPolarHBondContact CA-O 3.39Å; A155-K237 HydrophobicContact CB-CB 3.98Å; I156-K237 PolarHBondContact N-O 2.96Å; K237-F329 HydrophobicContact CB-CE1 3.77Å; K237-F329 HydrophobicContact CB-CZ 3.78Å; K237-F329 HydrophobicContact CD-CE1 4.35Å; K237-F329 HydrophobicContact CD-CZ 4.38Å; K237-F329 WeakPolarHBondContact CD-O 3.37Å; K237-F329 WeakPolarHBondContact CE-O 3.48Å; K237-F329 HydrophobicContact CG-CE1 4.4Å; K237-F329 HydrophobicContact CG-CZ 4.16Å; K237-F329 PolarHBondContact NZ-O 3.07Å; K237-L330 HydrophobicContact CD-CD2 4.33Å; K237-L330 PolarHBondContact NZ-O 2.72Å
238	L	98.9	Very high	98.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	132.8	-176.2	-55.8	178.5	0	0	0	110.7	I158 I229 I236 W298 F302 Q306 M307 H308	I158-L238 HydrophobicContact CD1-CB 4.2Å; I158-L238 HydrophobicContact CD1-CD1 4.39Å; I158-L238 HydrophobicContact CG2-CD2 3.94Å; I229-L238 HydrophobicContact CG2-CD2 4.4Å; I236-L238 HydrophobicContact CG2-CD2 4.19Å; L238-W298 HydrophobicContact CD1-CE3 3.58Å; L238-W298 HydrophobicContact CD1-CZ3 3.76Å; L238-W298 HydrophobicContact CD2-CZ3 4.27Å; L238-F302 HydrophobicContact CD1-CB 4.22Å; L238-F302 HydrophobicContact CD1-CD1 4.19Å; L238-F302 HydrophobicContact CD1-CD2 3.57Å; L238-F302 HydrophobicContact CD1-CE1 4.45Å; L238-F302 HydrophobicContact CD1-CE2 3.85Å; L238-F302 HydrophobicContact CD1-CG 3.73Å; L238-F302 HydrophobicContact CD1-CZ 4.27Å; L238-Q306 PolarHBondContact N-O 3.22Å; L238-M307 HydrophobicContact CB-CG 4.38Å; L238-M307 HydrophobicContact CD1-CG 4.44Å; L238-M307 CarbonylContact O-C 3.59Å; L238-M307 WeakPolarHBondContact O-CA 3.36Å; L238-H308 PolarHBondContact O-N 2.84Å
239	I	98.9	Very high	98.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	127.6	179.4	-59.8	171.6	0	0	0	110.2	I156 I157 I158 L168 M213 V241 H308 V310 V326 F329 L330	I156-I239 PolarHBondContact O-N 2.86Å; I157-I239 CarbonylContact C-O 3.55Å; I157-I239 WeakPolarHBondContact CA-O 3.5Å; I157-I239 HydrophobicContact CB-CB 4.5Å; I157-I239 HydrophobicContact CG1-CB 4.1Å; I157-I239 HydrophobicContact CG1-CD1 4.35Å; I157-I239 HydrophobicContact CG1-CG2 4.33Å; I157-I239 HydrophobicContact CG2-CG2 4.45Å; I158-I239 PolarHBondContact N-O 2.89Å; L168-I239 HydrophobicContact CD2-CG2 3.69Å; M213-I239 HydrophobicContact CE-CD1 3.83Å; I239-V241 HydrophobicContact CG2-CG2 4.47Å; I239-H308 WeakPolarHBondContact CA-O 3.23Å; I239-V310 HydrophobicContact CG2-CG2 3.98Å; I239-V326 HydrophobicContact CD1-CG1 3.94Å; I239-F329 HydrophobicContact CD1-CD1 4.49Å; I239-F329 HydrophobicContact CD1-CE1 4.41Å; I239-F329 HydrophobicContact CG1-CD1 4.19Å; I239-F329 HydrophobicContact CG1-CE1 3.77Å; I239-L330 HydrophobicContact CD1-CD2 4.21Å; I239-L330 HydrophobicContact CD1-CG 4.49Å
240	I	98.9	Very high	98.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	104.1	-179.5	-49.4	79.6	0	0	0	108.3	I158 G159 V160 F220 V242 M307 H308 F309 V310	I158-I240 HydrophobicContact CD1-CD1 4.12Å; I158-I240 HydrophobicContact CD1-CG1 3.86Å; I158-I240 HydrophobicContact CG1-CD1 4.38Å; I158-I240 HydrophobicContact CG1-CG1 3.89Å; G159-I240 CarbonylContact O-C 3.59Å; G159-I240 WeakPolarHBondContact O-CA 3.11Å; V160-I240 HydrophobicContact CG1-CG2 3.76Å; F220-I240 HydrophobicContact CD2-CG1 4.14Å; F220-I240 HydrophobicContact CD2-CG2 4.1Å; F220-I240 HydrophobicContact CE2-CG1 4.11Å; F220-I240 HydrophobicContact CE2-CG2 3.95Å; F220-I240 HydrophobicContact CZ-CG2 4.34Å; I240-V242 HydrophobicContact CG2-CG1 3.81Å; I240-V242 PolarHBondContact O-N 3.06Å; I240-M307 HydrophobicContact CD1-CB 4.08Å; I240-H308 PolarHBondContact N-O 3.17Å; I240-F309 HydrophobicContact CB-CD1 3.87Å; I240-F309 HydrophobicContact CB-CE1 4.19Å; I240-F309 HydrophobicContact CD1-CD1 4.03Å; I240-F309 HydrophobicContact CD1-CE1 3.7Å; I240-F309 HydrophobicContact CD1-CZ 4.22Å; I240-F309 HydrophobicContact CG1-CD1 4.19Å; I240-F309 HydrophobicContact CG1-CE1 4Å; I240-F309 HydrophobicContact CG2-CD1 4.45Å; I240-F309 CarbonylContact O-C 3.6Å; I240-F309 WeakPolarHBondContact O-CA 3.37Å; I240-V310 PolarHBondContact O-N 3.43Å
241	V	98.8	Very high	98.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	100.3	170.6	-166.8	0	0	0	0	108.3	I157 G159 V160 T165 L168 I239 V310 L315	I157-V241 HydrophobicContact CG2-CG2 4.16Å; G159-V241 PolarHBondContact O-N 3.06Å; V160-V241 WeakPolarHBondContact CG2-O 3.35Å; V160-V241 PolarHBondContact N-O 2.98Å; T165-V241 HydrophobicContact CG2-CB 4.03Å; T165-V241 HydrophobicContact CG2-CG2 4.06Å; L168-V241 HydrophobicContact CB-CG2 4.15Å; L168-V241 HydrophobicContact CD2-CG2 3.44Å; L168-V241 VanDerWaalsContact CD2-CG2 3.44Å; L168-V241 HydrophobicContact CG-CG2 4.44Å; I239-V241 HydrophobicContact CG2-CG2 4.47Å; V241-V310 WeakPolarHBondContact CA-O 3.18Å; V241-V310 HydrophobicContact CB-CB 4.44Å; V241-V310 HydrophobicContact CG1-CB 4.3Å; V241-V310 HydrophobicContact CG1-CG1 4.27Å; V241-V310 HydrophobicContact CG2-CB 4.19Å; V241-L315 HydrophobicContact CG1-CD2 4.07Å
242	V	98.8	Very high	98.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	174.5	176.5	-68.2	0	0	0	0	111.3	V160 I240 Y291 V310 G312 F394 F402 W404	V160-V242 HydrophobicContact CG1-CG1 4.35Å; I240-V242 HydrophobicContact CG2-CG1 3.81Å; I240-V242 PolarHBondContact O-N 3.06Å; V242-Y291 HydrophobicContact CB-CE2 4.25Å; V242-Y291 HydrophobicContact CG1-CD2 4.2Å; V242-Y291 HydrophobicContact CG1-CE2 4.35Å; V242-Y291 HydrophobicContact CG1-CG 4.47Å; V242-V310 WeakPolarHBondContact CG2-O 3.24Å; V242-V310 PolarHBondContact N-O 2.83Å; V242-G312 VanDerWaalsContact O-CA 3.22Å; V242-G312 WeakPolarHBondContact O-CA 3.46Å; V242-G312 PolarHBondContact O-N 3.1Å; V242-F394 HydrophobicContact CG1-CE1 4.01Å; V242-F394 HydrophobicContact CG1-CZ 3.72Å; V242-F394 HydrophobicContact CG2-CE1 4.37Å; V242-F402 HydrophobicContact CG2-CD1 3.64Å; V242-F402 HydrophobicContact CG2-CE1 3.29Å; V242-F402 HydrophobicContact CG2-CE2 4.4Å; V242-F402 HydrophobicContact CG2-CG 4.34Å; V242-F402 HydrophobicContact CG2-CZ 3.74Å; V242-W404 HydrophobicContact CB-CH2 3.95Å; V242-W404 HydrophobicContact CB-CZ2 3.92Å; V242-W404 HydrophobicContact CG2-CH2 4Å; V242-W404 HydrophobicContact CG2-CZ2 3.76Å
243	R	98.3	Very high	98.2	Very high	42 Å²	42	22.8 Å²	22.8	16%	0.158	11%	0.113	C	C	.	.			trans	-165.6	156.5	-177.7	-177.6	-171.6	166.3	112.3	13.9	107.9	P245 T247 R248 Y291 E313 H372 W404	R243-P245 WeakPolarHBondContact O-CD 3.43Å; R243-P245 VanDerWaalsContact O-N 3.08Å; R243-T247 VanDerWaalsContact CZ-OG1 3.32Å; R243-T247 PolarHBondContact NE-OG1 3.35Å; R243-T247 PolarHBondContact NH2-OG1 2.99Å; R243-R248 HydrophobicContact CB-CB 4.34Å; R243-R248 HydrophobicContact CG-CB 4.37Å; R243-Y291 VanDerWaalsContact O-CE2 3.29Å; R243-Y291 WeakPolarHBondContact O-CE2 3.42Å; R243-Y291 PolarHBondContact O-OH 3Å; R243-E313 WeakPolarHBondContact CA-OE1 3.39Å; R243-E313 WeakPolarHBondContact CG-OE1 3.48Å; R243-H372 PolarHBondContact NH2-CE1 2.91Å; R243-W404 VanDerWaalsContact C-CE2 3.5Å
244	N	98.4	Very high	98.3	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	11%	0.107	C	C	.	.			trans	-45.6	120.1	170.5	176.8	-33.1	0	0	0	109.8	V246 T247 R248 E313 H384 W404 E407	N244-V246 PolarHBondContact O-N 3.3Å; N244-V246 WeakPolarHBondContact OD1-CB 3.4Å; N244-V246 PolarHBondContact OD1-N 2.9Å; N244-T247 HydrophobicContact CB-CG2 4.37Å; N244-T247 PolarHBondContact O-N 2.62Å; N244-R248 VanDerWaalsContact O-CB 3.3Å; N244-R248 WeakPolarHBondContact O-CB 3.17Å; N244-R248 PolarHBondContact O-N 3.21Å; N244-E313 PolarHBondContact N-OE1 3.3Å; N244-H384 PolarHBondContact ND2-CE1 2.96Å; N244-W404 HydrophobicContact CB-CB 4.05Å; N244-W404 HydrophobicContact CB-CD2 4.39Å; N244-W404 HydrophobicContact CB-CG 3.76Å; N244-W404 VanDerWaalsContact N-NE1 3.17Å; N244-E407 PolarHBondContact ND2-OE2 3.23Å
245	P	98.4	Very high	98.3	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-55.4	-33.5	-175.7	-28.9	34.7	0	0	0	115	R243 A249 Y291 Y387 N391 W404	R243-P245 WeakPolarHBondContact O-CD 3.43Å; R243-P245 VanDerWaalsContact O-N 3.08Å; P245-A249 VanDerWaalsContact O-CB 3.3Å; P245-A249 WeakPolarHBondContact O-CB 3.46Å; P245-A249 PolarHBondContact O-N 2.99Å; P245-Y291 HydrophobicContact CG-CD2 4.39Å; P245-Y291 HydrophobicContact CG-CE2 3.71Å; P245-Y387 HydrophobicContact CB-CD1 3.51Å; P245-Y387 HydrophobicContact CB-CD2 3.65Å; P245-Y387 HydrophobicContact CB-CE1 3.53Å; P245-Y387 HydrophobicContact CB-CE2 3.66Å; P245-Y387 HydrophobicContact CB-CG 3.57Å; P245-Y387 HydrophobicContact CG-CD1 4.03Å; P245-Y387 HydrophobicContact CG-CE1 4.43Å; P245-Y387 HydrophobicContact CG-CG 4.09Å; P245-N391 WeakPolarHBondContact CG-OD1 3.38Å; P245-W404 HydrophobicContact CG-CE3 4.31Å; P245-W404 HydrophobicContact CG-CZ3 4.38Å
246	V	98.1	Very high	98.3	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.012	7%	0.074	C	C	.	.	H	α-helix	trans	-68.5	-55.5	179.2	-173.9	0	0	0	0	109.7	N244 R248 A249 I250 I380 L383 Y387	N244-V246 PolarHBondContact O-N 3.3Å; N244-V246 WeakPolarHBondContact OD1-CB 3.4Å; N244-V246 PolarHBondContact OD1-N 2.9Å; V246-R248 VanDerWaalsContact C-N 3.25Å; V246-R248 PolarHBondContact O-N 3.12Å; V246-A249 WeakPolarHBondContact O-CB 3.31Å; V246-A249 PolarHBondContact O-N 3.19Å; V246-A249 VanDerWaalsContact O-N 3.09Å; V246-I250 HydrophobicContact CG1-CD1 4.12Å; V246-I250 WeakPolarHBondContact O-CG1 3.4Å; V246-I250 PolarHBondContact O-N 2.99Å; V246-I380 HydrophobicContact CG1-CD1 3.93Å; V246-I380 HydrophobicContact CG1-CG2 4.48Å; V246-L383 HydrophobicContact CG1-CB 4.12Å; V246-L383 HydrophobicContact CG1-CD1 4.35Å; V246-L383 HydrophobicContact CG2-CB 3.92Å; V246-Y387 HydrophobicContact CG2-CD2 3.7Å; V246-Y387 HydrophobicContact CG2-CE2 4.05Å
247	T	97.8	Very high	98.2	Very high	32 Å²	32	17 Å²	17	20%	0.196	9%	0.086	C	C	.	.	H	α-helix	trans	-70.2	-24.6	-179.1	80.2	0	0	0	0	112	R243 N244 S251 H372	R243-T247 VanDerWaalsContact CZ-OG1 3.32Å; R243-T247 PolarHBondContact NE-OG1 3.35Å; R243-T247 PolarHBondContact NH2-OG1 2.99Å; N244-T247 HydrophobicContact CB-CG2 4.37Å; N244-T247 PolarHBondContact O-N 2.62Å; T247-S251 VanDerWaalsContact O-CB 3.23Å; T247-S251 WeakPolarHBondContact O-CB 3.15Å; T247-S251 PolarHBondContact O-N 3.36Å; T247-S251 VanDerWaalsContact O-N 3.09Å; T247-H372 PolarHBondContact O-CE1 3.45Å
248	R	98.5	Very high	98.1	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-65.9	-47	167.3	-172.3	-151.9	53.2	66.3	14.2	111.6	V160 K161 K162 R243 N244 V246 S251 D252 A285 G289 Y291	V160-R248 HydrophobicContact CG2-CG 4.45Å; K161-R248 VanDerWaalsContact O-CD 3.31Å; K161-R248 WeakPolarHBondContact O-CD 3.4Å; K161-R248 WeakPolarHBondContact O-CG 3.34Å; K162-R248 HydrophobicContact CB-CG 3.81Å; R243-R248 HydrophobicContact CB-CB 4.34Å; R243-R248 HydrophobicContact CG-CB 4.37Å; N244-R248 VanDerWaalsContact O-CB 3.3Å; N244-R248 WeakPolarHBondContact O-CB 3.17Å; N244-R248 PolarHBondContact O-N 3.21Å; V246-R248 VanDerWaalsContact C-N 3.25Å; V246-R248 PolarHBondContact O-N 3.12Å; R248-S251 WeakPolarHBondContact O-CB 3.21Å; R248-S251 PolarHBondContact O-N 3.31Å; R248-D252 PolarHBondContact O-N 2.73Å; R248-A285 PolarHBondContact NH1-O 2.78Å; R248-A285 PolarHBondContact NH2-O 3.02Å; R248-G289 VanDerWaalsContact NH2-N 3.13Å; R248-Y291 VanDerWaalsContact CD-OH 3.24Å; R248-Y291 WeakPolarHBondContact CD-OH 3.19Å; R248-Y291 PolarHBondContact NE-OH 3.41Å
249	A	98.5	Very high	97.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-60.9	-46.6	179.3	0	0	0	0	0	111.9	P245 V246 S251 D252 Y253 F266 A285 L286	P245-A249 VanDerWaalsContact O-CB 3.3Å; P245-A249 WeakPolarHBondContact O-CB 3.46Å; P245-A249 PolarHBondContact O-N 2.99Å; V246-A249 WeakPolarHBondContact O-CB 3.31Å; V246-A249 PolarHBondContact O-N 3.19Å; V246-A249 VanDerWaalsContact O-N 3.09Å; A249-S251 VanDerWaalsContact C-N 3.32Å; A249-S251 PolarHBondContact O-N 3.44Å; A249-D252 WeakPolarHBondContact O-CB 3.33Å; A249-D252 PolarHBondContact O-N 3.37Å; A249-Y253 PolarHBondContact O-N 2.69Å; A249-F266 HydrophobicContact CB-CE2 4.21Å; A249-F266 HydrophobicContact CB-CZ 4.28Å; A249-A285 WeakPolarHBondContact CA-O 3.22Å; A249-A285 VanDerWaalsContact CB-O 3.22Å; A249-A285 WeakPolarHBondContact CB-O 3.28Å; A249-L286 HydrophobicContact CB-CD2 3.79Å
250	I	98.3	Very high	97.7	Very high	12 Å²	12	30.2 Å²	30.2	6%	0.062	15%	0.151	C	C	.	.	H	α-helix	trans	-61.2	-42.2	175.9	-59.9	163.7	0	0	0	110.4	V246 D252 Y253 T254 F266 H372 I375 I380	V246-I250 HydrophobicContact CG1-CD1 4.12Å; V246-I250 WeakPolarHBondContact O-CG1 3.4Å; V246-I250 PolarHBondContact O-N 2.99Å; I250-D252 PolarHBondContact O-N 3.32Å; I250-Y253 PolarHBondContact O-N 3.02Å; I250-T254 VanDerWaalsContact O-CB 3.3Å; I250-T254 WeakPolarHBondContact O-CB 3.48Å; I250-T254 PolarHBondContact O-N 3.03Å; I250-T254 PolarHBondContact O-OG1 3.46Å; I250-F266 HydrophobicContact CB-CE2 4.44Å; I250-F266 HydrophobicContact CG1-CD2 4.38Å; I250-F266 HydrophobicContact CG1-CE1 3.99Å; I250-F266 HydrophobicContact CG1-CE2 3.81Å; I250-F266 HydrophobicContact CG1-CZ 3.59Å; I250-H372 HydrophobicContact CG2-CB 3.86Å; I250-I375 HydrophobicContact CD1-CG1 3.95Å; I250-I375 HydrophobicContact CG1-CG1 4.08Å; I250-I375 HydrophobicContact CG2-CD1 4.47Å; I250-I375 HydrophobicContact CG2-CG1 4.08Å; I250-I380 HydrophobicContact CD1-CD1 3.5Å; I250-I380 VanDerWaalsContact CD1-CD1 3.5Å
251	S	98	Very high	97.5	Very high	10 Å²	10	35.2 Å²	35.2	7%	0.07	18%	0.184	C	C	.	.	H	α-helix	trans	-62.1	-30.8	174.8	-165.1	0	0	0	0	112.7	K162 T247 R248 A249 Q255 H372	K162-S251 VanDerWaalsContact CE-O 3.27Å; K162-S251 WeakPolarHBondContact CE-O 3.39Å; K162-S251 WeakPolarHBondContact CE-OG 3.32Å; K162-S251 PolarHBondContact NZ-O 2.94Å; T247-S251 VanDerWaalsContact O-CB 3.23Å; T247-S251 WeakPolarHBondContact O-CB 3.15Å; T247-S251 PolarHBondContact O-N 3.36Å; T247-S251 VanDerWaalsContact O-N 3.09Å; R248-S251 WeakPolarHBondContact O-CB 3.21Å; R248-S251 PolarHBondContact O-N 3.31Å; A249-S251 VanDerWaalsContact C-N 3.32Å; A249-S251 PolarHBondContact O-N 3.44Å; S251-Q255 PolarHBondContact O-N 3.15Å; S251-H372 VanDerWaalsContact CA-NE2 3.31Å; S251-H372 WeakPolarHBondContact CA-NE2 3.41Å; S251-H372 WeakPolarHBondContact CB-CE1 3.44Å; S251-H372 WeakPolarHBondContact CB-NE2 3.18Å; S251-H372 PolarHBondContact OG-NE2 2.96Å
252	D	98.3	Very high	97.3	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.016	21%	0.213	C	C	.	.	H	α-helix	trans	-75.5	-50.9	177	-153.6	7.2	0	0	0	111.4	K161 K162 R248 A249 I250 T254 Q255 T256 A285	K161-D252 WeakPolarHBondContact CD-OD2 3.37Å; K161-D252 WeakPolarHBondContact CE-OD1 3.02Å; K161-D252 VanDerWaalsContact CE-OD2 3.31Å; K161-D252 WeakPolarHBondContact CE-OD2 3.23Å; K161-D252 IonicContact NZ-OD1 3.34Å; K161-D252 PolarHBondContact NZ-OD1 3.2Å; K161-D252 IonicContact NZ-OD2 3.37Å; K161-D252 PolarHBondContact NZ-OD2 3.4Å; K162-D252 HydrophobicContact CD-CB 4.38Å; K162-D252 HydrophobicContact CG-CB 3.68Å; R248-D252 PolarHBondContact O-N 2.73Å; A249-D252 WeakPolarHBondContact O-CB 3.33Å; A249-D252 PolarHBondContact O-N 3.37Å; I250-D252 PolarHBondContact O-N 3.32Å; D252-T254 VanDerWaalsContact C-N 3.31Å; D252-T254 PolarHBondContact O-N 3.44Å; D252-Q255 WeakPolarHBondContact O-CA 3.16Å; D252-Q255 WeakPolarHBondContact O-CB 3.3Å; D252-Q255 PolarHBondContact O-N 3.22Å; D252-T256 PolarHBondContact O-N 2.81Å; D252-T256 PolarHBondContact O-OG1 3.31Å; D252-A285 HydrophobicContact CB-CB 4.44Å
253	Y	98.3	Very high	97.2	Very high	15 Å²	15	43.2 Å²	43.2	6%	0.059	22%	0.222	C	C	.	.	H	α-helix	trans	-50.7	-49.4	170.8	169.8	-101.4	0	0	0	111.9	A249 I250 Q255 T256 L257 I263 P264 T265 F266 L269 W283 P373	A249-Y253 PolarHBondContact O-N 2.69Å; I250-Y253 PolarHBondContact O-N 3.02Å; Y253-Q255 PolarHBondContact O-N 3.25Å; Y253-Q255 VanDerWaalsContact O-N 3.16Å; Y253-T256 WeakPolarHBondContact O-CB 3.02Å; Y253-T256 PolarHBondContact O-N 3.09Å; Y253-L257 HydrophobicContact CE1-CD2 4.06Å; Y253-L257 WeakPolarHBondContact O-CB 3.42Å; Y253-L257 PolarHBondContact O-N 2.86Å; Y253-I263 HydrophobicContact CD2-CD1 3.85Å; Y253-I263 HydrophobicContact CE2-CD1 3.48Å; Y253-I263 VanDerWaalsContact CE2-CD1 3.48Å; Y253-I263 HydrophobicContact CE2-CG1 3.94Å; Y253-P264 WeakPolarHBondContact CE2-O 3.38Å; Y253-P264 PolarHBondContact OH-O 2.66Å; Y253-T265 WeakPolarHBondContact OH-CA 3.23Å; Y253-F266 HydrophobicContact CD1-CB 3.9Å; Y253-F266 HydrophobicContact CD1-CD2 4Å; Y253-F266 HydrophobicContact CD1-CG 4.4Å; Y253-F266 HydrophobicContact CD2-CB 4.42Å; Y253-F266 HydrophobicContact CD2-CD2 4.36Å; Y253-F266 HydrophobicContact CE1-CB 3.91Å; Y253-F266 HydrophobicContact CE2-CB 4.43Å; Y253-F266 HydrophobicContact CG-CB 4.18Å; Y253-F266 AromaticContact CG-CD2 3.75Å; Y253-F266 HydrophobicContact CG-CD2 3.75Å; Y253-F266 HydrophobicContact CG-CG 4.47Å; Y253-L269 HydrophobicContact CD2-CD1 4.08Å; Y253-L269 HydrophobicContact CE2-CD1 3.99Å; Y253-W283 HydrophobicContact CD2-CH2 4.07Å; Y253-W283 HydrophobicContact CD2-CZ2 4.1Å; Y253-W283 HydrophobicContact CG-CH2 4.41Å; Y253-P373 HydrophobicContact CD1-CG 4.17Å; Y253-P373 HydrophobicContact CE1-CG 3.92Å
254	T	98	Very high	97.1	Very high	10 Å²	10	44.5 Å²	44.5	6%	0.061	24%	0.236	C	C	.	.	H	α-helix	trans	-56.8	-32.4	176.9	-55.8	0	0	0	0	112.6	I250 D252 S258 R370 T371 P373	I250-T254 VanDerWaalsContact O-CB 3.3Å; I250-T254 WeakPolarHBondContact O-CB 3.48Å; I250-T254 PolarHBondContact O-N 3.03Å; I250-T254 PolarHBondContact O-OG1 3.46Å; D252-T254 VanDerWaalsContact C-N 3.31Å; D252-T254 PolarHBondContact O-N 3.44Å; T254-S258 WeakPolarHBondContact O-CB 3.49Å; T254-S258 PolarHBondContact O-N 3.38Å; T254-S258 VanDerWaalsContact O-N 3.13Å; T254-S258 PolarHBondContact O-OG 3.37Å; T254-R370 HydrophobicContact CG2-CB 3.99Å; T254-T371 WeakPolarHBondContact CG2-O 3.23Å; T254-P373 WeakPolarHBondContact OG1-CD 3.41Å
255	Q	97.1	Very high	97	Very high	55 Å²	55	47.7 Å²	47.7	26%	0.257	26%	0.255	S	S	.	.	H	α-helix	trans	-77	-37.8	175.9	168.8	172	-42.7	0	0	112.4	K162 S251 D252 Y253 S258	K162-Q255 VanDerWaalsContact NZ-CB 3.33Å; S251-Q255 PolarHBondContact O-N 3.15Å; D252-Q255 WeakPolarHBondContact O-CA 3.16Å; D252-Q255 WeakPolarHBondContact O-CB 3.3Å; D252-Q255 PolarHBondContact O-N 3.22Å; Y253-Q255 PolarHBondContact O-N 3.25Å; Y253-Q255 VanDerWaalsContact O-N 3.16Å; Q255-S258 PolarHBondContact O-N 2.96Å; Q255-S258 PolarHBondContact O-OG 2.78Å
256	T	96.9	Very high	96.9	Very high	59 Å²	59	47.7 Å²	47.7	36%	0.362	26%	0.255	S	S	.	.	H	α-helix	trans	-64.3	-47.9	172.8	-52	0	0	0	0	110.5	D252 Y253 S258 K259 K260 I263	D252-T256 PolarHBondContact O-N 2.81Å; D252-T256 PolarHBondContact O-OG1 3.31Å; Y253-T256 WeakPolarHBondContact O-CB 3.02Å; Y253-T256 PolarHBondContact O-N 3.09Å; T256-S258 VanDerWaalsContact C-N 3.28Å; T256-S258 PolarHBondContact O-N 3Å; T256-K259 CarbonylContact O-C 3.54Å; T256-K259 WeakPolarHBondContact O-CA 3.31Å; T256-K259 WeakPolarHBondContact O-CB 3.34Å; T256-K259 PolarHBondContact O-N 3.43Å; T256-K260 PolarHBondContact O-N 3.28Å; T256-I263 HydrophobicContact CG2-CD1 3.91Å
257	L	96.6	Very high	96.8	Very high	51 Å²	51	49 Å²	49	27%	0.267	26%	0.261	S	S	.	.	H	α-helix	trans	-55.1	-42.3	175.1	-171.7	66.9	0	0	0	111.7	Y253 K259 K260 I263	Y253-L257 HydrophobicContact CE1-CD2 4.06Å; Y253-L257 WeakPolarHBondContact O-CB 3.42Å; Y253-L257 PolarHBondContact O-N 2.86Å; L257-K259 PolarHBondContact O-N 2.04Å; L257-K260 WeakPolarHBondContact CA-O 2.92Å; L257-K260 CarbonylContact O-C 3.58Å; L257-K260 VanDerWaalsContact O-C 3.25Å; L257-K260 PolarHBondContact O-N 3.32Å; L257-I263 HydrophobicContact CB-CD1 4Å; L257-I263 HydrophobicContact CB-CG1 4.5Å; L257-I263 HydrophobicContact CD1-CD1 4.17Å; L257-I263 HydrophobicContact CD1-CG1 3.73Å
258	S	95.5	Very high	96.6	Very high	61 Å²	61	51.7 Å²	51.7	43%	0.427	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	1.4	175.5	75	0	0	0	0	115.7	T254 Q255 T256 R370	T254-S258 WeakPolarHBondContact O-CB 3.49Å; T254-S258 PolarHBondContact O-N 3.38Å; T254-S258 VanDerWaalsContact O-N 3.13Å; T254-S258 PolarHBondContact O-OG 3.37Å; Q255-S258 PolarHBondContact O-N 2.96Å; Q255-S258 PolarHBondContact O-OG 2.78Å; T256-S258 VanDerWaalsContact C-N 3.28Å; T256-S258 PolarHBondContact O-N 3Å; S258-R370 PolarHBondContact OG-NE 3.28Å; S258-R370 PolarHBondContact OG-NH2 3.4Å
259	K	95.8	Very high	96.5	Very high	168 Å²	168	53.9 Å²	53.9	73%	0.73	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.1	-23.6	171.6	-71	-171	168.7	-158.9	0	113.1	T256 L257	T256-K259 CarbonylContact O-C 3.54Å; T256-K259 WeakPolarHBondContact O-CA 3.31Å; T256-K259 WeakPolarHBondContact O-CB 3.34Å; T256-K259 PolarHBondContact O-N 3.43Å; L257-K259 PolarHBondContact O-N 2.04Å
260	K	95.5	Very high	96.4	Very high	113 Å²	113	53.9 Å²	53.9	49%	0.491	29%	0.289	S	S	.	.			trans	-142.7	84.5	-175.4	-74.5	-164.4	164.8	-141.7	0	108.3	T256 L257 E262 I263	T256-K260 PolarHBondContact O-N 3.28Å; L257-K260 WeakPolarHBondContact CA-O 2.92Å; L257-K260 CarbonylContact O-C 3.58Å; L257-K260 VanDerWaalsContact O-C 3.25Å; L257-K260 PolarHBondContact O-N 3.32Å; K260-E262 WeakPolarHBondContact CA-OE2 3.16Å; K260-E262 VanDerWaalsContact CB-OE1 3.3Å; K260-E262 WeakPolarHBondContact CB-OE1 3.3Å; K260-E262 WeakPolarHBondContact CD-OE1 3.39Å; K260-E262 WeakPolarHBondContact CG-OE1 2.95Å; K260-E262 IonicContact NZ-OE1 2.73Å; K260-E262 PolarHBondContact O-N 2.66Å; K260-I263 HydrophobicContact CB-CG2 3.87Å
261	P	93.3	Very high	96.2	Very high	105 Å²	105	54 Å²	54	68%	0.682	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-19.9	179.8	-22.9	35.3	0	0	0	113.6	I263	P261-I263 VanDerWaalsContact C-N 3.32Å; P261-I263 PolarHBondContact O-N 3.44Å
262	E	95.3	Very high	95.8	Very high	131 Å²	131	58.9 Å²	58.9	61%	0.612	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	2.1	-174.2	76	-72.6	173	0	0	115.5	K260	K260-E262 WeakPolarHBondContact CA-OE2 3.16Å; K260-E262 VanDerWaalsContact CB-OE1 3.3Å; K260-E262 WeakPolarHBondContact CB-OE1 3.3Å; K260-E262 WeakPolarHBondContact CD-OE1 3.39Å; K260-E262 WeakPolarHBondContact CG-OE1 2.95Å; K260-E262 IonicContact NZ-OE1 2.73Å; K260-E262 PolarHBondContact O-N 2.66Å
263	I	95.9	Very high	95.2	Very high	37 Å²	37	61.7 Å²	61.7	19%	0.19	32%	0.324	C	S	.	.	S	Bend	trans	-75	148.9	-179	65.2	179.5	0	0	0	112.5	Y253 T256 L257 K260 P261	Y253-I263 HydrophobicContact CD2-CD1 3.85Å; Y253-I263 HydrophobicContact CE2-CD1 3.48Å; Y253-I263 VanDerWaalsContact CE2-CD1 3.48Å; Y253-I263 HydrophobicContact CE2-CG1 3.94Å; T256-I263 HydrophobicContact CG2-CD1 3.91Å; L257-I263 HydrophobicContact CB-CD1 4Å; L257-I263 HydrophobicContact CB-CG1 4.5Å; L257-I263 HydrophobicContact CD1-CD1 4.17Å; L257-I263 HydrophobicContact CD1-CG1 3.73Å; K260-I263 HydrophobicContact CB-CG2 3.87Å; P261-I263 VanDerWaalsContact C-N 3.32Å; P261-I263 PolarHBondContact O-N 3.44Å
264	P	96.7	Very high	94.5	Very high	69 Å²	69	66.2 Å²	66.2	45%	0.448	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-59	158.6	172.1	-22.2	33	0	0	0	112.6	Y253 V268 L269	Y253-P264 WeakPolarHBondContact CE2-O 3.38Å; Y253-P264 PolarHBondContact OH-O 2.66Å; P264-V268 HydrophobicContact CB-CB 4.01Å; P264-V268 HydrophobicContact CB-CG1 3.88Å; P264-L269 HydrophobicContact CB-CD2 4.1Å; P264-L269 HydrophobicContact CB-CG 4.21Å; P264-L269 HydrophobicContact CG-CD2 4.16Å; P264-L269 WeakPolarHBondContact O-CD1 3.29Å
265	T	96.6	Very high	93.9	Very high	68 Å²	68	72.1 Å²	72.1	42%	0.417	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-62.7	159.1	-177.8	87.8	0	0	0	0	112.3	Y253 E267 V268 L269	Y253-T265 WeakPolarHBondContact OH-CA 3.23Å; T265-E267 VanDerWaalsContact CB-OE2 3.23Å; T265-E267 WeakPolarHBondContact CB-OE2 3.36Å; T265-E267 PolarHBondContact O-N 2.83Å; T265-E267 PolarHBondContact OG1-N 2.69Å; T265-E267 PolarHBondContact OG1-OE2 3.36Å; T265-V268 PolarHBondContact O-N 2.8Å; T265-L269 PolarHBondContact O-N 3.35Å
266	F	97.1	Very high	93.3	Very high	1 Å²	1	75.2 Å²	75.2	0%	0.004	40%	0.395	C	S	.	.	H	α-helix	trans	-54.8	-38.9	178	-177.7	-95.4	0	0	0	112.2	A249 I250 Y253 V268 L269 A270 W283 I375 V379 L383	A249-F266 HydrophobicContact CB-CE2 4.21Å; A249-F266 HydrophobicContact CB-CZ 4.28Å; I250-F266 HydrophobicContact CB-CE2 4.44Å; I250-F266 HydrophobicContact CG1-CD2 4.38Å; I250-F266 HydrophobicContact CG1-CE1 3.99Å; I250-F266 HydrophobicContact CG1-CE2 3.81Å; I250-F266 HydrophobicContact CG1-CZ 3.59Å; Y253-F266 HydrophobicContact CD1-CB 3.9Å; Y253-F266 HydrophobicContact CD1-CD2 4Å; Y253-F266 HydrophobicContact CD1-CG 4.4Å; Y253-F266 HydrophobicContact CD2-CB 4.42Å; Y253-F266 HydrophobicContact CD2-CD2 4.36Å; Y253-F266 HydrophobicContact CE1-CB 3.91Å; Y253-F266 HydrophobicContact CE2-CB 4.43Å; Y253-F266 HydrophobicContact CG-CB 4.18Å; Y253-F266 AromaticContact CG-CD2 3.75Å; Y253-F266 HydrophobicContact CG-CD2 3.75Å; Y253-F266 HydrophobicContact CG-CG 4.47Å; F266-V268 VanDerWaalsContact C-N 3.32Å; F266-V268 PolarHBondContact O-N 3.03Å; F266-L269 PolarHBondContact O-N 3.05Å; F266-A270 HydrophobicContact CE1-CB 4.44Å; F266-A270 WeakPolarHBondContact O-CB 3.36Å; F266-A270 PolarHBondContact O-N 3.46Å; F266-W283 AromaticContact CD2-CH2 3.66Å; F266-W283 HydrophobicContact CD2-CH2 3.66Å; F266-W283 AromaticContact CD2-CZ3 3.98Å; F266-W283 HydrophobicContact CD2-CZ3 3.98Å; F266-W283 AromaticContact CE2-CH2 3.88Å; F266-W283 HydrophobicContact CE2-CH2 3.88Å; F266-W283 AromaticContact CE2-CZ3 3.87Å; F266-W283 HydrophobicContact CE2-CZ3 3.87Å; F266-I375 HydrophobicContact CB-CD1 3.65Å; F266-I375 HydrophobicContact CD1-CD1 3.92Å; F266-I375 HydrophobicContact CD1-CG1 4.16Å; F266-I375 HydrophobicContact CD1-CG2 3.69Å; F266-I375 HydrophobicContact CE1-CG2 4.05Å; F266-I375 HydrophobicContact CG-CD1 3.88Å; F266-I375 HydrophobicContact CG-CG1 4.5Å; F266-V379 HydrophobicContact CD1-CG1 4.27Å; F266-V379 HydrophobicContact CE1-CG1 4.14Å; F266-L383 HydrophobicContact CE1-CD1 3.49Å; F266-L383 VanDerWaalsContact CE1-CD1 3.49Å; F266-L383 HydrophobicContact CZ-CD1 3.65Å
267	E	94.8	Very high	92.7	Very high	28 Å²	28	73.4 Å²	73.4	13%	0.131	39%	0.388	C	S	.	.	H	α-helix	trans	-70.6	-23.5	178.7	-55.1	78.7	-173.7	0	0	113.7	T265 F271 I375 D376 V379	T265-E267 VanDerWaalsContact CB-OE2 3.23Å; T265-E267 WeakPolarHBondContact CB-OE2 3.36Å; T265-E267 PolarHBondContact O-N 2.83Å; T265-E267 PolarHBondContact OG1-N 2.69Å; T265-E267 PolarHBondContact OG1-OE2 3.36Å; E267-F271 WeakPolarHBondContact O-CD2 3.43Å; E267-I375 WeakPolarHBondContact OE1-CA 3.42Å; E267-D376 HydrophobicContact CG-CB 3.89Å; E267-D376 PolarHBondContact OE1-N 2.94Å; E267-V379 HydrophobicContact CB-CG2 4.14Å; E267-V379 HydrophobicContact CG-CB 4.27Å; E267-V379 HydrophobicContact CG-CG1 4.34Å; E267-V379 HydrophobicContact CG-CG2 3.82Å
268	V	94.8	Very high	92.4	Very high	90 Å²	90	75.6 Å²	75.6	55%	0.545	40%	0.399	S	S	.	.	H	α-helix	trans	-79.2	-43.3	171.9	177.6	0	0	0	0	109.8	P264 T265 F266	P264-V268 HydrophobicContact CB-CB 4.01Å; P264-V268 HydrophobicContact CB-CG1 3.88Å; T265-V268 PolarHBondContact O-N 2.8Å; F266-V268 VanDerWaalsContact C-N 3.32Å; F266-V268 PolarHBondContact O-N 3.03Å
269	L	95.9	Very high	92.3	Very high	45 Å²	45	73.9 Å²	73.9	24%	0.236	39%	0.385	C	S	.	.	H	α-helix	trans	-75.4	-21.8	-178.4	-61.4	176.6	0	0	0	113.8	Y253 P264 T265 F266 F271 W283	Y253-L269 HydrophobicContact CD2-CD1 4.08Å; Y253-L269 HydrophobicContact CE2-CD1 3.99Å; P264-L269 HydrophobicContact CB-CD2 4.1Å; P264-L269 HydrophobicContact CB-CG 4.21Å; P264-L269 HydrophobicContact CG-CD2 4.16Å; P264-L269 WeakPolarHBondContact O-CD1 3.29Å; T265-L269 PolarHBondContact O-N 3.35Å; F266-L269 PolarHBondContact O-N 3.05Å; L269-F271 PolarHBondContact O-N 3.46Å; L269-W283 HydrophobicContact CB-CD2 3.93Å; L269-W283 HydrophobicContact CB-CE3 3.87Å; L269-W283 HydrophobicContact CB-CH2 3.61Å; L269-W283 HydrophobicContact CB-CZ2 3.65Å; L269-W283 HydrophobicContact CB-CZ3 3.72Å; L269-W283 HydrophobicContact CD1-CH2 4.09Å; L269-W283 HydrophobicContact CD1-CZ2 3.56Å; L269-W283 HydrophobicContact CG-CZ2 4.25Å
270	A	95.2	Very high	92.2	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-10.1	-176.8	0	0	0	0	0	115	F266 I279 D280 W283 L286 V379	F266-A270 HydrophobicContact CE1-CB 4.44Å; F266-A270 WeakPolarHBondContact O-CB 3.36Å; F266-A270 PolarHBondContact O-N 3.46Å; A270-I279 CarbonylContact O-C 3.57Å; A270-I279 WeakPolarHBondContact O-CA 3.27Å; A270-D280 PolarHBondContact O-N 3Å; A270-W283 HydrophobicContact CB-CZ3 4.33Å; A270-L286 HydrophobicContact CB-CD1 4.26Å; A270-V379 HydrophobicContact CB-CG1 4.45Å
271	F	94.1	Very high	92.1	Very high	16 Å²	16	62.3 Å²	62.3	7%	0.07	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	135.5	-174.6	-63.1	-97.8	0	0	0	112.7	E267 L269 N273 R274 L278 I279 V379 R382	E267-F271 WeakPolarHBondContact O-CD2 3.43Å; L269-F271 PolarHBondContact O-N 3.46Å; F271-N273 VanDerWaalsContact C-N 3.35Å; F271-R274 HydrophobicContact CB-CB 4.23Å; F271-R274 HydrophobicContact CD2-CG 4.46Å; F271-R274 HydrophobicContact CG-CB 4.24Å; F271-R274 HydrophobicContact CG-CG 4.49Å; F271-L278 CarbonylContact C-O 3.57Å; F271-L278 VanDerWaalsContact CA-O 3.27Å; F271-L278 WeakPolarHBondContact CA-O 3.34Å; F271-I279 HydrophobicContact CD1-CD1 3.82Å; F271-I279 HydrophobicContact CE1-CD1 3.37Å; F271-I279 HydrophobicContact CE1-CG1 4.32Å; F271-I279 HydrophobicContact CE2-CD1 4.29Å; F271-I279 HydrophobicContact CG-CD1 4.43Å; F271-I279 HydrophobicContact CZ-CD1 3.63Å; F271-V379 HydrophobicContact CE2-CB 4.21Å; F271-V379 HydrophobicContact CE2-CG1 3.73Å; F271-V379 HydrophobicContact CE2-CG2 3.67Å; F271-V379 HydrophobicContact CZ-CB 4.45Å; F271-V379 HydrophobicContact CZ-CG1 4.22Å; F271-V379 HydrophobicContact CZ-CG2 4.03Å; F271-R382 HydrophobicContact CE1-CB 4.48Å; F271-R382 HydrophobicContact CZ-CB 4.29Å
272	K	89.4	Confident	92.1	Very high	112 Å²	112	60.2 Å²	60.2	49%	0.487	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	-32.7	162.1	-64.8	-165.9	178.1	-168.7	0	111.4	A73 L278 D280	A73-K272 PolarHBondContact O-NZ 2.89Å; K272-L278 PolarHBondContact N-O 3.22Å; K272-D280 WeakPolarHBondContact CE-OD1 3.3Å; K272-D280 HydrophobicContact CG-CB 3.7Å; K272-D280 IonicContact NZ-OD1 3.61Å
273	N	86	Confident	92.2	Very high	62 Å²	62	56.1 Å²	56.1	33%	0.332	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	108.9	172.6	-175	-47	0	0	0	109.5	F271 T275 L276 G277 L278	F271-N273 VanDerWaalsContact C-N 3.35Å; N273-T275 WeakPolarHBondContact OD1-CB 3.46Å; N273-T275 PolarHBondContact OD1-N 2.73Å; N273-T275 VanDerWaalsContact OD1-N 3.11Å; N273-L276 HydrophobicContact CB-CB 4.26Å; N273-L276 HydrophobicContact CB-CD1 4.41Å; N273-L276 PolarHBondContact OD1-N 3.23Å; N273-G277 PolarHBondContact O-N 2.91Å; N273-G277 VanDerWaalsContact O-N 3.1Å; N273-L278 HydrophobicContact CB-CB 4.35Å; N273-L278 HydrophobicContact CB-CD1 4.35Å; N273-L278 PolarHBondContact N-O 3.43Å; N273-L278 PolarHBondContact O-N 3.04Å
274	R	83.6	Confident	92.2	Very high	109 Å²	109	57.7 Å²	57.7	41%	0.411	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-38.3	-176.8	-175.3	173.2	170.2	154.7	4.3	112.6	F271 G277 D376	F271-R274 HydrophobicContact CB-CB 4.23Å; F271-R274 HydrophobicContact CD2-CG 4.46Å; F271-R274 HydrophobicContact CG-CB 4.24Å; F271-R274 HydrophobicContact CG-CG 4.49Å; R274-G277 PolarHBondContact O-N 3.09Å; R274-G277 VanDerWaalsContact O-N 3.07Å; R274-D376 IonicContact CZ-OD2 2.68Å; R274-D376 IonicContact NH1-OD2 3.12Å; R274-D376 IonicContact NH2-OD2 3.72Å; R274-D376 PolarHBondContact NH2-OD2 3.04Å
275	T	85.4	Confident	92.2	Very high	134 Å²	134	54.6 Å²	54.6	82%	0.822	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-46.5	179.2	-47.3	0	0	0	0	111.5	N273 G277	N273-T275 WeakPolarHBondContact OD1-CB 3.46Å; N273-T275 PolarHBondContact OD1-N 2.73Å; N273-T275 VanDerWaalsContact OD1-N 3.11Å; T275-G277 PolarHBondContact O-N 2.87Å
276	L	85.8	Confident	92.3	Very high	121 Å²	121	51.4 Å²	51.4	63%	0.634	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-5.3	175.2	-60.5	178.9	0	0	0	113.4	N273 L278	N273-L276 HydrophobicContact CB-CB 4.26Å; N273-L276 HydrophobicContact CB-CD1 4.41Å; N273-L276 PolarHBondContact OD1-N 3.23Å; L276-L278 HydrophobicContact CB-CD1 4.08Å; L276-L278 HydrophobicContact CB-CG 3.87Å; L276-L278 HydrophobicContact CD1-CD1 4.03Å; L276-L278 PolarHBondContact O-N 3.03Å
277	G	84.2	Confident	92.3	Very high	20 Å²	20	53.5 Å²	53.5	21%	0.206	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.7	17.9	-176.8	0	0	0	0	0	115.1	N273 R274 T275 I279 R382	N273-G277 PolarHBondContact O-N 2.91Å; N273-G277 VanDerWaalsContact O-N 3.1Å; R274-G277 PolarHBondContact O-N 3.09Å; R274-G277 VanDerWaalsContact O-N 3.07Å; T275-G277 PolarHBondContact O-N 2.87Å; G277-I279 PolarHBondContact O-N 3.08Å; G277-I279 VanDerWaalsContact O-N 3.13Å; G277-R382 VanDerWaalsContact CA-NH1 3.29Å
278	L	89.3	Confident	92.5	Very high	97 Å²	97	52.9 Å²	52.9	51%	0.508	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	100.2	-177.6	-64	177.7	0	0	0	110.4	F271 K272 N273 L276	F271-L278 CarbonylContact C-O 3.57Å; F271-L278 VanDerWaalsContact CA-O 3.27Å; F271-L278 WeakPolarHBondContact CA-O 3.34Å; K272-L278 PolarHBondContact N-O 3.22Å; N273-L278 HydrophobicContact CB-CB 4.35Å; N273-L278 HydrophobicContact CB-CD1 4.35Å; N273-L278 PolarHBondContact N-O 3.43Å; N273-L278 PolarHBondContact O-N 3.04Å; L276-L278 HydrophobicContact CB-CD1 4.08Å; L276-L278 HydrophobicContact CB-CG 3.87Å; L276-L278 HydrophobicContact CD1-CD1 4.03Å; L276-L278 PolarHBondContact O-N 3.03Å
279	I	93.9	Very high	92.6	Very high	25 Å²	25	48.6 Å²	48.6	13%	0.128	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	135.6	176	-63.9	-65	0	0	0	110.9	A270 F271 G277 A281 L286 R382 L383 F386	A270-I279 CarbonylContact O-C 3.57Å; A270-I279 WeakPolarHBondContact O-CA 3.27Å; F271-I279 HydrophobicContact CD1-CD1 3.82Å; F271-I279 HydrophobicContact CE1-CD1 3.37Å; F271-I279 HydrophobicContact CE1-CG1 4.32Å; F271-I279 HydrophobicContact CE2-CD1 4.29Å; F271-I279 HydrophobicContact CG-CD1 4.43Å; F271-I279 HydrophobicContact CZ-CD1 3.63Å; G277-I279 PolarHBondContact O-N 3.08Å; G277-I279 VanDerWaalsContact O-N 3.13Å; I279-A281 PolarHBondContact O-N 3.28Å; I279-A281 VanDerWaalsContact O-N 3.07Å; I279-L286 HydrophobicContact CG2-CD1 3.69Å; I279-R382 HydrophobicContact CD1-CB 4.46Å; I279-L383 HydrophobicContact CD1-CD2 3.81Å; I279-L383 HydrophobicContact CD1-CG 4.23Å; I279-L383 HydrophobicContact CG2-CD2 4.12Å; I279-F386 HydrophobicContact CB-CD2 4.07Å; I279-F386 HydrophobicContact CB-CE2 4.42Å; I279-F386 HydrophobicContact CB-CG 4.33Å; I279-F386 HydrophobicContact CG1-CB 4.16Å; I279-F386 HydrophobicContact CG1-CD2 4.3Å; I279-F386 HydrophobicContact CG1-CG 4.25Å; I279-F386 HydrophobicContact CG2-CD1 4.14Å; I279-F386 HydrophobicContact CG2-CD2 4.02Å; I279-F386 HydrophobicContact CG2-CE1 4.24Å; I279-F386 HydrophobicContact CG2-CE2 4.13Å; I279-F386 HydrophobicContact CG2-CG 4.04Å; I279-F386 HydrophobicContact CG2-CZ 4.24Å
280	D	94.4	Very high	92.8	Very high	28 Å²	28	46.4 Å²	46.4	15%	0.15	25%	0.248	C	C	.	.			trans	-82	83.8	172.6	-172.8	18.8	0	0	0	112.3	A270 K272 S282 W283	A270-D280 PolarHBondContact O-N 3Å; K272-D280 WeakPolarHBondContact CE-OD1 3.3Å; K272-D280 HydrophobicContact CG-CB 3.7Å; K272-D280 IonicContact NZ-OD1 3.61Å; D280-S282 VanDerWaalsContact CG-OG 3.29Å; D280-S282 PolarHBondContact O-N 3.36Å; D280-S282 VanDerWaalsContact O-N 3.14Å; D280-S282 WeakPolarHBondContact OD1-CA 3.3Å; D280-S282 VanDerWaalsContact OD1-CB 3.3Å; D280-S282 WeakPolarHBondContact OD1-CB 3.3Å; D280-S282 PolarHBondContact OD1-N 2.81Å; D280-S282 PolarHBondContact OD1-OG 2.88Å; D280-S282 PolarHBondContact OD2-OG 2.91Å; D280-W283 HydrophobicContact CB-CB 4.43Å; D280-W283 PolarHBondContact O-N 3.09Å; D280-W283 PolarHBondContact OD2-N 2.91Å
281	A	93.3	Very high	92.9	Very high	10 Å²	10	46.5 Å²	46.5	8%	0.083	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-4.4	171.2	0	0	0	0	0	114.1	L70 I279 R287 F386	L70-A281 HydrophobicContact CD2-CB 3.37Å; I279-A281 PolarHBondContact O-N 3.28Å; I279-A281 VanDerWaalsContact O-N 3.07Å; A281-R287 VanDerWaalsContact O-CZ 3.28Å; A281-R287 PolarHBondContact O-NE 3.39Å; A281-R287 PolarHBondContact O-NH2 3.01Å; A281-F386 HydrophobicContact CB-CE2 4.15Å; A281-F386 HydrophobicContact CB-CZ 3.78Å
282	S	93.5	Very high	93.1	Very high	62 Å²	62	45.7 Å²	45.7	43%	0.434	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-24.5	171.4	75.2	0	0	0	0	112.7	D280 S284	D280-S282 VanDerWaalsContact CG-OG 3.29Å; D280-S282 PolarHBondContact O-N 3.36Å; D280-S282 VanDerWaalsContact O-N 3.14Å; D280-S282 WeakPolarHBondContact OD1-CA 3.3Å; D280-S282 VanDerWaalsContact OD1-CB 3.3Å; D280-S282 WeakPolarHBondContact OD1-CB 3.3Å; D280-S282 PolarHBondContact OD1-N 2.81Å; D280-S282 PolarHBondContact OD1-OG 2.88Å; D280-S282 PolarHBondContact OD2-OG 2.91Å; S282-S284 PolarHBondContact O-N 2.85Å
283	W	96.6	Very high	93.5	Very high	45 Å²	45	40.9 Å²	40.9	17%	0.17	22%	0.224	C	C	.	.	S	Bend	trans	-61	124.4	174.4	-177	40.2	0	0	0	111.3	Y253 F266 L269 A270 D280 A285 L286 R287	Y253-W283 HydrophobicContact CD2-CH2 4.07Å; Y253-W283 HydrophobicContact CD2-CZ2 4.1Å; Y253-W283 HydrophobicContact CG-CH2 4.41Å; F266-W283 AromaticContact CD2-CH2 3.66Å; F266-W283 HydrophobicContact CD2-CH2 3.66Å; F266-W283 AromaticContact CD2-CZ3 3.98Å; F266-W283 HydrophobicContact CD2-CZ3 3.98Å; F266-W283 AromaticContact CE2-CH2 3.88Å; F266-W283 HydrophobicContact CE2-CH2 3.88Å; F266-W283 AromaticContact CE2-CZ3 3.87Å; F266-W283 HydrophobicContact CE2-CZ3 3.87Å; L269-W283 HydrophobicContact CB-CD2 3.93Å; L269-W283 HydrophobicContact CB-CE3 3.87Å; L269-W283 HydrophobicContact CB-CH2 3.61Å; L269-W283 HydrophobicContact CB-CZ2 3.65Å; L269-W283 HydrophobicContact CB-CZ3 3.72Å; L269-W283 HydrophobicContact CD1-CH2 4.09Å; L269-W283 HydrophobicContact CD1-CZ2 3.56Å; L269-W283 HydrophobicContact CG-CZ2 4.25Å; A270-W283 HydrophobicContact CB-CZ3 4.33Å; D280-W283 HydrophobicContact CB-CB 4.43Å; D280-W283 PolarHBondContact O-N 3.09Å; D280-W283 PolarHBondContact OD2-N 2.91Å; W283-A285 HydrophobicContact CD2-CB 3.75Å; W283-A285 VanDerWaalsContact CE2-CB 3.44Å; W283-A285 HydrophobicContact CE3-CB 4.06Å; W283-A285 HydrophobicContact CG-CB 4.43Å; W283-A285 HydrophobicContact CH2-CB 3.82Å; W283-A285 HydrophobicContact CZ2-CB 3.48Å; W283-A285 VanDerWaalsContact CZ2-CB 3.48Å; W283-A285 HydrophobicContact CZ3-CB 4.09Å; W283-A285 PolarHBondContact O-N 3.27Å; W283-A285 VanDerWaalsContact O-N 3.16Å; W283-L286 HydrophobicContact CE3-CD1 3.96Å; W283-L286 HydrophobicContact CE3-CG 3.71Å; W283-L286 HydrophobicContact CZ3-CG 4.24Å; W283-L286 WeakPolarHBondContact O-CA 3.49Å; W283-L286 PolarHBondContact O-N 3.49Å; W283-R287 PolarHBondContact O-N 3.31Å
284	S	96	Very high	94.1	Very high	70 Å²	70	39 Å²	39	49%	0.49	21%	0.213	S	C	.	.	H	α-helix	trans	-59.1	-32.3	-173.8	61.7	0	0	0	0	113.7	S282 L286 I288	S282-S284 PolarHBondContact O-N 2.85Å; S284-L286 PolarHBondContact O-N 3.17Å; S284-I288 VanDerWaalsContact O-CD1 3.3Å; S284-I288 WeakPolarHBondContact O-CD1 3.21Å; S284-I288 WeakPolarHBondContact O-CG1 3.04Å; S284-I288 PolarHBondContact O-N 2.85Å
285	A	96.8	Very high	94.8	Very high	4 Å²	4	33.9 Å²	33.9	3%	0.033	19%	0.194	C	C	.	.	H	α-helix	trans	-64.5	-22.7	176.2	0	0	0	0	0	112.7	R248 A249 D252 W283	R248-A285 PolarHBondContact NH1-O 2.78Å; R248-A285 PolarHBondContact NH2-O 3.02Å; A249-A285 WeakPolarHBondContact CA-O 3.22Å; A249-A285 VanDerWaalsContact CB-O 3.22Å; A249-A285 WeakPolarHBondContact CB-O 3.28Å; D252-A285 HydrophobicContact CB-CB 4.44Å; W283-A285 HydrophobicContact CD2-CB 3.75Å; W283-A285 VanDerWaalsContact CE2-CB 3.44Å; W283-A285 HydrophobicContact CE3-CB 4.06Å; W283-A285 HydrophobicContact CG-CB 4.43Å; W283-A285 HydrophobicContact CH2-CB 3.82Å; W283-A285 HydrophobicContact CZ2-CB 3.48Å; W283-A285 VanDerWaalsContact CZ2-CB 3.48Å; W283-A285 HydrophobicContact CZ3-CB 4.09Å; W283-A285 PolarHBondContact O-N 3.27Å; W283-A285 VanDerWaalsContact O-N 3.16Å
286	L	98	Very high	95.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-96.8	-46.3	172.5	-63.5	-179.2	0	0	0	112.8	A249 A270 I279 W283 S284 I288 G289 L383 Y387	A249-L286 HydrophobicContact CB-CD2 3.79Å; A270-L286 HydrophobicContact CB-CD1 4.26Å; I279-L286 HydrophobicContact CG2-CD1 3.69Å; W283-L286 HydrophobicContact CE3-CD1 3.96Å; W283-L286 HydrophobicContact CE3-CG 3.71Å; W283-L286 HydrophobicContact CZ3-CG 4.24Å; W283-L286 WeakPolarHBondContact O-CA 3.49Å; W283-L286 PolarHBondContact O-N 3.49Å; S284-L286 PolarHBondContact O-N 3.17Å; L286-I288 PolarHBondContact O-N 2.84Å; L286-I288 VanDerWaalsContact O-N 3.1Å; L286-G289 WeakPolarHBondContact O-CA 3.15Å; L286-G289 PolarHBondContact O-N 2.86Å; L286-L383 HydrophobicContact CD1-CD2 3.98Å; L286-L383 HydrophobicContact CD2-CD1 4.38Å; L286-L383 HydrophobicContact CD2-CD2 3.64Å; L286-L383 HydrophobicContact CG-CD2 4.5Å; L286-Y387 VanDerWaalsContact CA-OH 3.31Å; L286-Y387 WeakPolarHBondContact CA-OH 3.41Å; L286-Y387 HydrophobicContact CD2-CE2 4.34Å; L286-Y387 VanDerWaalsContact CD2-OH 3.3Å; L286-Y387 WeakPolarHBondContact CD2-OH 3.29Å; L286-Y387 PolarHBondContact O-OH 3.37Å; L286-Y387 VanDerWaalsContact O-OH 3.06Å
287	R	97.7	Very high	95.9	Very high	46 Å²	46	25.4 Å²	25.4	17%	0.174	15%	0.146	C	C	.	.	H	α-helix	trans	-54.8	-33.9	-179	-176.9	59.4	63.1	138.7	4.7	113.4	L70 S74 A281 W283 G289 I290 H294	L70-R287 PolarHBondContact O-NH2 3.45Å; S74-R287 PolarHBondContact OG-NH2 3.36Å; A281-R287 VanDerWaalsContact O-CZ 3.28Å; A281-R287 PolarHBondContact O-NE 3.39Å; A281-R287 PolarHBondContact O-NH2 3.01Å; W283-R287 PolarHBondContact O-N 3.31Å; R287-G289 PolarHBondContact O-N 3.36Å; R287-I290 PolarHBondContact O-N 3.49Å; R287-H294 PolarHBondContact O-NE2 2.85Å
288	I	98.4	Very high	96.6	Very high	14 Å²	14	24.5 Å²	24.5	7%	0.072	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-24.4	175.9	-66.5	168.1	0	0	0	112.6	K161 V221 S284 L286 I290 Y291	K161-I288 HydrophobicContact CB-CD1 4.48Å; K161-I288 HydrophobicContact CB-CG2 4.39Å; K161-I288 HydrophobicContact CD-CD1 3.71Å; V221-I288 HydrophobicContact CG1-CB 4.45Å; V221-I288 HydrophobicContact CG1-CG1 4.12Å; V221-I288 HydrophobicContact CG1-CG2 4.29Å; V221-I288 HydrophobicContact CG2-CG1 4.31Å; S284-I288 VanDerWaalsContact O-CD1 3.3Å; S284-I288 WeakPolarHBondContact O-CD1 3.21Å; S284-I288 WeakPolarHBondContact O-CG1 3.04Å; S284-I288 PolarHBondContact O-N 2.85Å; L286-I288 PolarHBondContact O-N 2.84Å; L286-I288 VanDerWaalsContact O-N 3.1Å; I288-I290 VanDerWaalsContact C-N 3.34Å; I288-Y291 VanDerWaalsContact O-CD1 3.32Å; I288-Y291 WeakPolarHBondContact O-CD1 3.42Å; I288-Y291 VanDerWaalsContact O-CE1 3.23Å; I288-Y291 WeakPolarHBondContact O-CE1 3.36Å
289	G	98.2	Very high	97	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-11.9	-179.4	0	0	0	0	0	115	R248 L286 R287 Y291	R248-G289 VanDerWaalsContact NH2-N 3.13Å; L286-G289 WeakPolarHBondContact O-CA 3.15Å; L286-G289 PolarHBondContact O-N 2.86Å; R287-G289 PolarHBondContact O-N 3.36Å; G289-Y291 PolarHBondContact O-N 3.36Å
290	I	98.3	Very high	97.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.154	C	C	.	.			trans	-85.7	65.4	-176.7	-44.2	-178.1	0	0	0	109.1	L70 R287 I288 A292 L293 H294 F386 Y387 F390	L70-I290 HydrophobicContact CD1-CD1 3.96Å; L70-I290 HydrophobicContact CD1-CG2 4.45Å; L70-I290 HydrophobicContact CD2-CD1 4.39Å; R287-I290 PolarHBondContact O-N 3.49Å; I288-I290 VanDerWaalsContact C-N 3.34Å; I290-A292 VanDerWaalsContact C-N 3.3Å; I290-A292 PolarHBondContact O-N 3.27Å; I290-L293 HydrophobicContact CG2-CB 4.43Å; I290-L293 HydrophobicContact CG2-CD1 3.77Å; I290-L293 HydrophobicContact CG2-CG 3.9Å; I290-L293 PolarHBondContact O-N 3.32Å; I290-H294 PolarHBondContact O-CD2 3.33Å; I290-F386 HydrophobicContact CD1-CE1 4.31Å; I290-F386 HydrophobicContact CD1-CZ 3.95Å; I290-F386 HydrophobicContact CG1-CE1 4.46Å; I290-Y387 HydrophobicContact CG1-CE1 4.15Å; I290-F390 HydrophobicContact CG2-CB 3.93Å; I290-F390 HydrophobicContact CG2-CD1 3.65Å; I290-F390 HydrophobicContact CG2-CD2 4.07Å; I290-F390 HydrophobicContact CG2-CE1 4.17Å; I290-F390 HydrophobicContact CG2-CG 3.6Å
291	Y	98.7	Very high	97.4	Very high	1 Å²	1	30.9 Å²	30.9	0%	0.004	16%	0.161	C	C	.	.	H	α-helix	trans	-59.6	-34.2	-163.7	-53.8	-41.3	0	0	0	114.5	V160 F220 V242 R243 P245 R248 I288 G289 H294 L295 F394 W404	V160-Y291 HydrophobicContact CB-CE1 4.36Å; V160-Y291 HydrophobicContact CG1-CD1 4.12Å; V160-Y291 HydrophobicContact CG1-CE1 4Å; V160-Y291 HydrophobicContact CG2-CE1 4Å; F220-Y291 HydrophobicContact CE1-CD1 4.15Å; V242-Y291 HydrophobicContact CB-CE2 4.25Å; V242-Y291 HydrophobicContact CG1-CD2 4.2Å; V242-Y291 HydrophobicContact CG1-CE2 4.35Å; V242-Y291 HydrophobicContact CG1-CG 4.47Å; R243-Y291 VanDerWaalsContact O-CE2 3.29Å; R243-Y291 WeakPolarHBondContact O-CE2 3.42Å; R243-Y291 PolarHBondContact O-OH 3Å; P245-Y291 HydrophobicContact CG-CD2 4.39Å; P245-Y291 HydrophobicContact CG-CE2 3.71Å; R248-Y291 VanDerWaalsContact CD-OH 3.24Å; R248-Y291 WeakPolarHBondContact CD-OH 3.19Å; R248-Y291 PolarHBondContact NE-OH 3.41Å; I288-Y291 VanDerWaalsContact O-CD1 3.32Å; I288-Y291 WeakPolarHBondContact O-CD1 3.42Å; I288-Y291 VanDerWaalsContact O-CE1 3.23Å; I288-Y291 WeakPolarHBondContact O-CE1 3.36Å; G289-Y291 PolarHBondContact O-N 3.36Å; Y291-H294 PolarHBondContact O-N 2.82Å; Y291-L295 WeakPolarHBondContact O-CB 3.46Å; Y291-L295 PolarHBondContact O-N 3.31Å; Y291-F394 HydrophobicContact CD2-CD1 4.37Å; Y291-F394 HydrophobicContact CD2-CE1 4.4Å; Y291-W404 AromaticContact CD2-CH2 3.69Å; Y291-W404 HydrophobicContact CD2-CH2 3.69Å; Y291-W404 AromaticContact CD2-CZ3 3.8Å; Y291-W404 HydrophobicContact CD2-CZ3 3.8Å; Y291-W404 AromaticContact CE2-CH2 3.48Å; Y291-W404 HydrophobicContact CE2-CH2 3.48Å; Y291-W404 VanDerWaalsContact CE2-CH2 3.48Å; Y291-W404 HydrophobicContact CE2-CZ2 4.27Å; Y291-W404 AromaticContact CE2-CZ3 3.7Å; Y291-W404 HydrophobicContact CE2-CZ3 3.7Å
292	A	98.3	Very high	97.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-56.3	-50.5	178.6	0	0	0	0	0	112.9	I290 H294 L295 E296 M393 F394 M397	I290-A292 VanDerWaalsContact C-N 3.3Å; I290-A292 PolarHBondContact O-N 3.27Å; A292-H294 VanDerWaalsContact C-N 3.28Å; A292-H294 PolarHBondContact O-N 2.92Å; A292-L295 WeakPolarHBondContact O-CB 3.49Å; A292-L295 PolarHBondContact O-N 2.85Å; A292-L295 VanDerWaalsContact O-N 3.08Å; A292-E296 PolarHBondContact O-N 2.98Å; A292-M393 HydrophobicContact CB-CB 4.02Å; A292-M393 HydrophobicContact CB-CG 3.86Å; A292-M393 HydrophobicContact CB-SD 3.64Å; A292-F394 HydrophobicContact CB-CB 4.29Å; A292-M397 HydrophobicContact CB-SD 3.7Å
293	L	96.8	Very high	97.9	Very high	10 Å²	10	30.8 Å²	30.8	5%	0.052	16%	0.157	C	C	.	.	H	α-helix	trans	-64.3	-32.2	-178.8	-62.3	-177.4	0	0	0	113.1	R67 L70 I290 S297	R67-L293 HydrophobicContact CB-CD2 4.38Å; R67-L293 HydrophobicContact CG-CD2 4.3Å; L70-L293 HydrophobicContact CD1-CD1 3.68Å; I290-L293 HydrophobicContact CG2-CB 4.43Å; I290-L293 HydrophobicContact CG2-CD1 3.77Å; I290-L293 HydrophobicContact CG2-CG 3.9Å; I290-L293 PolarHBondContact O-N 3.32Å; L293-S297 PolarHBondContact O-OG 3.43Å
294	H	98.4	Very high	97.9	Very high	24 Å²	24	31.7 Å²	31.7	11%	0.111	17%	0.165	C	C	.	.	H	α-helix	trans	-71.1	-46.3	172.4	-61.8	-64.6	0	0	0	110	F220 R287 I290 Y291 A292 E296 S297 W298	F220-H294 HydrophobicContact CD1-CB 3.95Å; F220-H294 HydrophobicContact CE1-CB 3.42Å; F220-H294 VanDerWaalsContact CE1-CB 3.42Å; F220-H294 AromaticContact CE1-CG 3.94Å; F220-H294 HydrophobicContact CE2-CB 4.29Å; F220-H294 HydrophobicContact CZ-CB 3.61Å; R287-H294 PolarHBondContact O-NE2 2.85Å; I290-H294 PolarHBondContact O-CD2 3.33Å; Y291-H294 PolarHBondContact O-N 2.82Å; A292-H294 VanDerWaalsContact C-N 3.28Å; A292-H294 PolarHBondContact O-N 2.92Å; H294-E296 VanDerWaalsContact C-N 3.34Å; H294-E296 PolarHBondContact O-N 3.13Å; H294-S297 WeakPolarHBondContact O-CA 3.39Å; H294-S297 VanDerWaalsContact O-CB 3.29Å; H294-S297 WeakPolarHBondContact O-CB 3.32Å; H294-S297 PolarHBondContact O-N 2.88Å; H294-W298 VanDerWaalsContact O-CD1 3.27Å; H294-W298 PolarHBondContact O-N 2.68Å
295	L	98.6	Very high	98	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-58.4	-40	179.2	178	58.8	0	0	0	112.7	Y291 A292 S297 W298 M299 L304 M307 F309 F394 M397 T398	Y291-L295 WeakPolarHBondContact O-CB 3.46Å; Y291-L295 PolarHBondContact O-N 3.31Å; A292-L295 WeakPolarHBondContact O-CB 3.49Å; A292-L295 PolarHBondContact O-N 2.85Å; A292-L295 VanDerWaalsContact O-N 3.08Å; L295-S297 PolarHBondContact O-N 3.02Å; L295-W298 PolarHBondContact O-N 3.12Å; L295-M299 HydrophobicContact CD1-CG 3.94Å; L295-M299 HydrophobicContact CD1-SD 4.11Å; L295-M299 HydrophobicContact CD2-SD 4.2Å; L295-M299 HydrophobicContact CG-CG 4.15Å; L295-M299 HydrophobicContact CG-SD 3.76Å; L295-M299 WeakPolarHBondContact O-CG 3.42Å; L295-M299 PolarHBondContact O-N 3.3Å; L295-L304 HydrophobicContact CD1-CD2 4.31Å; L295-M307 HydrophobicContact CD1-CE 4.26Å; L295-M307 HydrophobicContact CD1-SD 3.47Å; L295-M307 WeakPolarHBondContact CD1-SD 3.24Å; L295-F309 HydrophobicContact CD1-CE1 4.02Å; L295-F309 HydrophobicContact CD1-CZ 3.73Å; L295-F309 HydrophobicContact CD2-CE1 4.28Å; L295-F309 HydrophobicContact CD2-CZ 4.08Å; L295-F394 HydrophobicContact CB-CE2 4.5Å; L295-F394 HydrophobicContact CD2-CD2 3.97Å; L295-F394 HydrophobicContact CD2-CE2 3.83Å; L295-M397 HydrophobicContact CB-CE 4.05Å; L295-M397 HydrophobicContact CD2-CB 3.88Å; L295-M397 HydrophobicContact CD2-CE 3.93Å; L295-M397 HydrophobicContact CD2-SD 4.35Å; L295-M397 HydrophobicContact CG-CE 3.82Å; L295-T398 HydrophobicContact CD2-CG2 3.77Å
296	E	97.3	Very high	98.1	Very high	36 Å²	36	34.9 Å²	34.9	17%	0.168	18%	0.183	C	C	.	.	H	α-helix	trans	-51.9	-37.4	171.2	-71.5	-178.8	-166.4	0	0	112.8	R67 A292 H294 W298 Q300 M393 M397	R67-E296 IonicContact CZ-OE2 3.29Å; R67-E296 IonicContact NH1-OE1 2.68Å; R67-E296 IonicContact NH1-OE2 2.69Å; R67-E296 PolarHBondContact NH1-OE2 3.47Å; R67-E296 IonicContact NH2-OE2 3.02Å; A292-E296 PolarHBondContact O-N 2.98Å; H294-E296 VanDerWaalsContact C-N 3.34Å; H294-E296 PolarHBondContact O-N 3.13Å; E296-W298 VanDerWaalsContact C-N 3.33Å; E296-Q300 WeakPolarHBondContact O-CG 3.28Å; E296-Q300 PolarHBondContact O-N 3.43Å; E296-Q300 PolarHBondContact O-NE2 3.46Å; E296-Q300 VanDerWaalsContact O-NE2 3.1Å; E296-M393 WeakPolarHBondContact OE1-CE 3.3Å; E296-M397 HydrophobicContact CG-CE 3.82Å
297	S	96.8	Very high	98.1	Very high	40 Å²	40	35.4 Å²	35.4	28%	0.28	19%	0.185	S	C	.	.	H	α-helix	trans	-75.3	-23.2	-179.4	-56.3	0	0	0	0	112.6	L293 H294 L295	L293-S297 PolarHBondContact O-OG 3.43Å; H294-S297 WeakPolarHBondContact O-CA 3.39Å; H294-S297 VanDerWaalsContact O-CB 3.29Å; H294-S297 WeakPolarHBondContact O-CB 3.32Å; H294-S297 PolarHBondContact O-N 2.88Å; L295-S297 PolarHBondContact O-N 3.02Å
298	W	98.7	Very high	98.2	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.008	18%	0.183	C	C	.	.	H	α-helix	trans	-84.5	-38	172.1	-72.3	88.6	0	0	0	112.5	I158 Y219 F220 A225 P226 I229 L238 H294 L295 E296 Q300 Y301 F302 M307	I158-W298 HydrophobicContact CB-CH2 4.02Å; I158-W298 HydrophobicContact CB-CZ2 4.21Å; I158-W298 HydrophobicContact CD1-CD2 3.76Å; I158-W298 HydrophobicContact CD1-CE3 3.8Å; I158-W298 HydrophobicContact CD1-CH2 3.67Å; I158-W298 HydrophobicContact CD1-CZ2 3.65Å; I158-W298 HydrophobicContact CD1-CZ3 3.75Å; I158-W298 HydrophobicContact CG1-CH2 4.46Å; I158-W298 HydrophobicContact CG1-CZ2 4.49Å; I158-W298 HydrophobicContact CG2-CH2 3.71Å; I158-W298 HydrophobicContact CG2-CZ2 4.4Å; I158-W298 HydrophobicContact CG2-CZ3 4.15Å; Y219-W298 WeakPolarHBondContact O-CZ2 3.44Å; F220-W298 AromaticContact CD2-NE1 3.72Å; F220-W298 PolarHBondContact O-NE1 2.93Å; A225-W298 HydrophobicContact CB-CH2 4.26Å; A225-W298 HydrophobicContact CB-CZ2 4.28Å; P226-W298 HydrophobicContact CB-CD2 4.13Å; P226-W298 HydrophobicContact CB-CE3 3.99Å; P226-W298 HydrophobicContact CB-CZ3 4.37Å; P226-W298 HydrophobicContact CG-CD2 3.69Å; P226-W298 HydrophobicContact CG-CE3 4.01Å; P226-W298 HydrophobicContact CG-CG 4.06Å; P226-W298 HydrophobicContact CG-CH2 4.44Å; P226-W298 HydrophobicContact CG-CZ2 4.1Å; P226-W298 HydrophobicContact CG-CZ3 4.39Å; I229-W298 HydrophobicContact CD1-CH2 3.53Å; I229-W298 HydrophobicContact CD1-CZ3 3.82Å; L238-W298 HydrophobicContact CD1-CE3 3.58Å; L238-W298 HydrophobicContact CD1-CZ3 3.76Å; L238-W298 HydrophobicContact CD2-CZ3 4.27Å; H294-W298 VanDerWaalsContact O-CD1 3.27Å; H294-W298 PolarHBondContact O-N 2.68Å; L295-W298 PolarHBondContact O-N 3.12Å; E296-W298 VanDerWaalsContact C-N 3.33Å; W298-Q300 PolarHBondContact O-N 2.88Å; W298-Y301 PolarHBondContact O-N 3.43Å; W298-F302 AromaticContact CE3-CD2 3.97Å; W298-F302 HydrophobicContact CE3-CD2 3.97Å; W298-F302 AromaticContact CE3-CE2 3.89Å; W298-F302 HydrophobicContact CE3-CE2 3.89Å; W298-F302 HydrophobicContact CZ3-CE2 4.02Å; W298-F302 PolarHBondContact O-N 2.87Å; W298-M307 HydrophobicContact CB-CE 3.63Å; W298-M307 HydrophobicContact CB-SD 4.36Å
299	M	98.3	Very high	98.2	Very high	76 Å²	76	34.4 Å²	34.4	37%	0.374	18%	0.182	S	C	.	.	H	α-helix	trans	-66.1	-18.2	-179.8	-72.7	176.3	63.9	0	0	113.7	L295 Y301 F302 L304 M307 M397	L295-M299 HydrophobicContact CD1-CG 3.94Å; L295-M299 HydrophobicContact CD1-SD 4.11Å; L295-M299 HydrophobicContact CD2-SD 4.2Å; L295-M299 HydrophobicContact CG-CG 4.15Å; L295-M299 HydrophobicContact CG-SD 3.76Å; L295-M299 WeakPolarHBondContact O-CG 3.42Å; L295-M299 PolarHBondContact O-N 3.3Å; M299-Y301 PolarHBondContact O-N 2.98Å; M299-F302 WeakPolarHBondContact CA-O 3.22Å; M299-L304 HydrophobicContact CE-CD1 3.74Å; M299-L304 HydrophobicContact CE-CD2 4.36Å; M299-L304 HydrophobicContact CE-CG 3.96Å; M299-L304 HydrophobicContact CG-CD2 4.19Å; M299-L304 HydrophobicContact CG-CG 4.4Å; M299-L304 HydrophobicContact SD-CD1 4.3Å; M299-L304 HydrophobicContact SD-CD2 3.89Å; M299-L304 HydrophobicContact SD-CG 4.14Å; M299-M307 HydrophobicContact CG-CE 4.12Å; M299-M397 HydrophobicContact SD-CE 3.73Å
300	Q	98	Very high	98.2	Very high	132 Å²	132	34.4 Å²	34.4	62%	0.617	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-17.4	168.5	-74.6	165.5	55.2	0	0	114	E296 W298	E296-Q300 WeakPolarHBondContact O-CG 3.28Å; E296-Q300 PolarHBondContact O-N 3.43Å; E296-Q300 PolarHBondContact O-NE2 3.46Å; E296-Q300 VanDerWaalsContact O-NE2 3.1Å; W298-Q300 PolarHBondContact O-N 2.88Å
301	Y	98.6	Very high	98.2	Very high	76 Å²	76	34.7 Å²	34.7	30%	0.298	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.4	-23.1	-174	-65.2	-86.6	0	0	0	113.9	P226 K227 H230 W298 M299	P226-Y301 HydrophobicContact CB-CD2 3.53Å; P226-Y301 HydrophobicContact CB-CE2 4.16Å; P226-Y301 HydrophobicContact CB-CG 4.05Å; K227-Y301 HydrophobicContact CB-CD1 4.24Å; K227-Y301 HydrophobicContact CB-CE1 3.59Å; K227-Y301 HydrophobicContact CB-CE2 4.38Å; K227-Y301 HydrophobicContact CD-CE1 4.33Å; K227-Y301 HydrophobicContact CG-CE1 3.73Å; H230-Y301 HydrophobicContact CB-CD1 4.27Å; H230-Y301 PolarHBondContact CD2-O 3.23Å; W298-Y301 PolarHBondContact O-N 3.43Å; M299-Y301 PolarHBondContact O-N 2.98Å
302	F	98.6	Very high	98.2	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.018	19%	0.185	C	C	.	.	S	Bend	trans	-137.4	138.3	-177.9	-56.6	-84	0	0	0	111.5	P226 I229 H230 I236 L238 W298 M299 M307	P226-F302 WeakPolarHBondContact O-CE2 3.37Å; I229-F302 HydrophobicContact CB-CZ 4.1Å; I229-F302 HydrophobicContact CG2-CZ 3.8Å; H230-F302 HydrophobicContact CB-CE1 3.95Å; H230-F302 HydrophobicContact CB-CE2 4.09Å; H230-F302 HydrophobicContact CB-CZ 3.56Å; I236-F302 HydrophobicContact CG2-CD1 4.47Å; I236-F302 HydrophobicContact CG2-CE1 3.65Å; I236-F302 HydrophobicContact CG2-CZ 4.18Å; L238-F302 HydrophobicContact CD1-CB 4.22Å; L238-F302 HydrophobicContact CD1-CD1 4.19Å; L238-F302 HydrophobicContact CD1-CD2 3.57Å; L238-F302 HydrophobicContact CD1-CE1 4.45Å; L238-F302 HydrophobicContact CD1-CE2 3.85Å; L238-F302 HydrophobicContact CD1-CG 3.73Å; L238-F302 HydrophobicContact CD1-CZ 4.27Å; W298-F302 AromaticContact CE3-CD2 3.97Å; W298-F302 HydrophobicContact CE3-CD2 3.97Å; W298-F302 AromaticContact CE3-CE2 3.89Å; W298-F302 HydrophobicContact CE3-CE2 3.89Å; W298-F302 HydrophobicContact CZ3-CE2 4.02Å; W298-F302 PolarHBondContact O-N 2.87Å; M299-F302 WeakPolarHBondContact CA-O 3.22Å; F302-M307 HydrophobicContact CB-CE 3.8Å; F302-M307 WeakPolarHBondContact O-CE 3.4Å
303	P	98.1	Very high	98.1	Very high	65 Å²	65	36.7 Å²	36.7	42%	0.422	19%	0.194	S	C	.	.			trans	-68.4	153.3	170.8	31.9	-35.8	0	0	0	110.8	S305 Q306	P303-S305 PolarHBondContact O-N 2.71Å; P303-S305 VanDerWaalsContact O-N 3.14Å; P303-Q306 VanDerWaalsContact CD-OE1 3.25Å; P303-Q306 HydrophobicContact CG-CB 4.37Å; P303-Q306 HydrophobicContact CG-CG 4.1Å; P303-Q306 VanDerWaalsContact CG-OE1 3.27Å; P303-Q306 PolarHBondContact O-N 3.46Å
304	L	97.3	Very high	98.1	Very high	64 Å²	64	41.7 Å²	41.7	34%	0.335	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-59.3	-25.2	177	-74.6	166.2	0	0	0	113.3	L295 M299 Q306 M307 F309 M397	L295-L304 HydrophobicContact CD1-CD2 4.31Å; M299-L304 HydrophobicContact CE-CD1 3.74Å; M299-L304 HydrophobicContact CE-CD2 4.36Å; M299-L304 HydrophobicContact CE-CG 3.96Å; M299-L304 HydrophobicContact CG-CD2 4.19Å; M299-L304 HydrophobicContact CG-CG 4.4Å; M299-L304 HydrophobicContact SD-CD1 4.3Å; M299-L304 HydrophobicContact SD-CD2 3.89Å; M299-L304 HydrophobicContact SD-CG 4.14Å; L304-Q306 PolarHBondContact O-N 3.5Å; L304-M307 HydrophobicContact CD2-SD 4.36Å; L304-M307 PolarHBondContact O-N 2.71Å; L304-M307 VanDerWaalsContact O-O 3.07Å; L304-F309 HydrophobicContact CD2-CE2 4.06Å; L304-F309 HydrophobicContact CD2-CZ 4.09Å; L304-M397 WeakPolarHBondContact CD1-O 3.28Å
305	S	97.9	Very high	98	Very high	102 Å²	102	41 Å²	41	71%	0.713	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-63.8	-18.5	173.6	52.1	0	0	0	0	114.1	P303	P303-S305 PolarHBondContact O-N 2.71Å; P303-S305 VanDerWaalsContact O-N 3.14Å
306	Q	98.6	Very high	97.8	Very high	39 Å²	39	43.3 Å²	43.3	18%	0.182	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-95.5	5.8	171.6	-74.8	176.4	-115.1	0	0	113.1	K234 D235 I236 L238 P303 L304	K234-Q306 PolarHBondContact O-NE2 2.94Å; K234-Q306 PolarHBondContact O-OE1 2.83Å; D235-Q306 PolarHBondContact O-NE2 2.84Å; I236-Q306 PolarHBondContact O-NE2 3.14Å; L238-Q306 PolarHBondContact N-O 3.22Å; P303-Q306 VanDerWaalsContact CD-OE1 3.25Å; P303-Q306 HydrophobicContact CG-CB 4.37Å; P303-Q306 HydrophobicContact CG-CG 4.1Å; P303-Q306 VanDerWaalsContact CG-OE1 3.27Å; P303-Q306 PolarHBondContact O-N 3.46Å; L304-Q306 PolarHBondContact O-N 3.5Å
307	M	98.8	Very high	97.7	Very high	11 Å²	11	47.9 Å²	47.9	5%	0.054	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	138.8	178.5	-56.9	-168	-161	0	0	111.4	L238 I240 L295 W298 M299 F302 L304 F309	L238-M307 HydrophobicContact CB-CG 4.38Å; L238-M307 HydrophobicContact CD1-CG 4.44Å; L238-M307 CarbonylContact O-C 3.59Å; L238-M307 WeakPolarHBondContact O-CA 3.36Å; I240-M307 HydrophobicContact CD1-CB 4.08Å; L295-M307 HydrophobicContact CD1-CE 4.26Å; L295-M307 HydrophobicContact CD1-SD 3.47Å; L295-M307 WeakPolarHBondContact CD1-SD 3.24Å; W298-M307 HydrophobicContact CB-CE 3.63Å; W298-M307 HydrophobicContact CB-SD 4.36Å; M299-M307 HydrophobicContact CG-CE 4.12Å; F302-M307 HydrophobicContact CB-CE 3.8Å; F302-M307 WeakPolarHBondContact O-CE 3.4Å; L304-M307 HydrophobicContact CD2-SD 4.36Å; L304-M307 PolarHBondContact O-N 2.71Å; L304-M307 VanDerWaalsContact O-O 3.07Å; M307-F309 HydrophobicContact CB-CE2 3.78Å; M307-F309 HydrophobicContact CB-CZ 3.72Å; M307-F309 HydrophobicContact CG-CZ 4.49Å; M307-F309 HydrophobicContact SD-CZ 3.96Å
308	H	98.8	Very high	97.7	Very high	29 Å²	29	48.4 Å²	48.4	13%	0.134	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	125.6	174.1	-171.3	66.4	0	0	0	112	L238 I239 I240 F329	L238-H308 PolarHBondContact O-N 2.84Å; I239-H308 WeakPolarHBondContact CA-O 3.23Å; I240-H308 PolarHBondContact N-O 3.17Å; H308-F329 HydrophobicContact CB-CB 4.3Å; H308-F329 HydrophobicContact CB-CD1 3.43Å; H308-F329 VanDerWaalsContact CB-CD1 3.43Å; H308-F329 HydrophobicContact CB-CD2 3.78Å; H308-F329 HydrophobicContact CB-CE1 3.51Å; H308-F329 HydrophobicContact CB-CE2 3.86Å; H308-F329 HydrophobicContact CB-CG 3.55Å; H308-F329 HydrophobicContact CB-CZ 3.72Å; H308-F329 AromaticContact CG-CD1 3.97Å; H308-F329 AromaticContact CG-CG 3.82Å
309	F	98.8	Very high	97.7	Very high	11 Å²	11	49 Å²	49	5%	0.048	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	103.9	-172.6	-55.5	-83.4	0	0	0	110.5	I240 L295 L304 M307 F394 T398 Q400 F402	I240-F309 HydrophobicContact CB-CD1 3.87Å; I240-F309 HydrophobicContact CB-CE1 4.19Å; I240-F309 HydrophobicContact CD1-CD1 4.03Å; I240-F309 HydrophobicContact CD1-CE1 3.7Å; I240-F309 HydrophobicContact CD1-CZ 4.22Å; I240-F309 HydrophobicContact CG1-CD1 4.19Å; I240-F309 HydrophobicContact CG1-CE1 4Å; I240-F309 HydrophobicContact CG2-CD1 4.45Å; I240-F309 CarbonylContact O-C 3.6Å; I240-F309 WeakPolarHBondContact O-CA 3.37Å; L295-F309 HydrophobicContact CD1-CE1 4.02Å; L295-F309 HydrophobicContact CD1-CZ 3.73Å; L295-F309 HydrophobicContact CD2-CE1 4.28Å; L295-F309 HydrophobicContact CD2-CZ 4.08Å; L304-F309 HydrophobicContact CD2-CE2 4.06Å; L304-F309 HydrophobicContact CD2-CZ 4.09Å; M307-F309 HydrophobicContact CB-CE2 3.78Å; M307-F309 HydrophobicContact CB-CZ 3.72Å; M307-F309 HydrophobicContact CG-CZ 4.49Å; M307-F309 HydrophobicContact SD-CZ 3.96Å; F309-F394 HydrophobicContact CD1-CE2 4.24Å; F309-F394 AromaticContact CD1-CZ 3.71Å; F309-F394 HydrophobicContact CD1-CZ 3.71Å; F309-F394 HydrophobicContact CE1-CE2 4.15Å; F309-F394 HydrophobicContact CE1-CZ 4.09Å; F309-F394 HydrophobicContact CG-CZ 4.44Å; F309-T398 HydrophobicContact CD1-CG2 3.95Å; F309-T398 HydrophobicContact CD2-CG2 3.69Å; F309-T398 HydrophobicContact CE1-CG2 3.88Å; F309-T398 HydrophobicContact CE2-CG2 3.63Å; F309-T398 HydrophobicContact CG-CG2 3.87Å; F309-T398 HydrophobicContact CZ-CG2 3.73Å; F309-Q400 PolarHBondContact O-OE1 2.78Å; F309-F402 HydrophobicContact CB-CZ 3.71Å
310	V	98.8	Very high	97.6	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	130.1	-176.9	-179.3	0	0	0	0	109.4	L168 I239 I240 V241 V242 G312 L315 E322 V326	L168-V310 HydrophobicContact CD2-CB 4.48Å; L168-V310 HydrophobicContact CD2-CG1 4.47Å; L168-V310 HydrophobicContact CD2-CG2 3.98Å; I239-V310 HydrophobicContact CG2-CG2 3.98Å; I240-V310 PolarHBondContact O-N 3.43Å; V241-V310 WeakPolarHBondContact CA-O 3.18Å; V241-V310 HydrophobicContact CB-CB 4.44Å; V241-V310 HydrophobicContact CG1-CB 4.3Å; V241-V310 HydrophobicContact CG1-CG1 4.27Å; V241-V310 HydrophobicContact CG2-CB 4.19Å; V242-V310 WeakPolarHBondContact CG2-O 3.24Å; V242-V310 PolarHBondContact N-O 2.83Å; V310-G312 PolarHBondContact O-N 3.35Å; V310-L315 HydrophobicContact CG1-CD2 4.46Å; V310-E322 HydrophobicContact CG1-CB 4.21Å; V310-E322 HydrophobicContact CG1-CG 4.39Å; V310-V326 HydrophobicContact CG2-CG2 3.55Å
311	S	98.5	Very high	97.6	Very high	6 Å²	6	41.1 Å²	41.1	4%	0.042	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	116.1	175	168.9	0	0	0	0	109.8	E313 R314 L315 E322	S311-E313 PolarHBondContact O-N 2.83Å; S311-E313 PolarHBondContact OG-N 2.94Å; S311-E313 PolarHBondContact OG-OE2 2.64Å; S311-R314 PolarHBondContact O-N 2.99Å; S311-R314 PolarHBondContact OG-N 2.97Å; S311-L315 VanDerWaalsContact O-CB 3.28Å; S311-L315 WeakPolarHBondContact O-CB 3.46Å; S311-L315 PolarHBondContact O-N 2.69Å; S311-E322 PolarHBondContact N-OE2 2.7Å
312	G	97.5	Very high	97.6	Very high	2 Å²	2	37.5 Å²	37.5	2%	0.021	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-28.1	174.4	0	0	0	0	0	113	V242 V310 I316	V242-G312 VanDerWaalsContact O-CA 3.22Å; V242-G312 WeakPolarHBondContact O-CA 3.46Å; V242-G312 PolarHBondContact O-N 3.1Å; V310-G312 PolarHBondContact O-N 3.35Å; G312-I316 WeakPolarHBondContact O-CD1 3.42Å; G312-I316 WeakPolarHBondContact O-CG1 3.29Å
313	E	96.6	Very high	97.6	Very high	40 Å²	40	37.3 Å²	37.3	19%	0.187	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-54.5	171.6	-66.2	67.5	-143.9	0	0	110.9	R243 N244 S311 L315 I316 V317 W404	R243-E313 WeakPolarHBondContact CA-OE1 3.39Å; R243-E313 WeakPolarHBondContact CG-OE1 3.48Å; N244-E313 PolarHBondContact N-OE1 3.3Å; S311-E313 PolarHBondContact O-N 2.83Å; S311-E313 PolarHBondContact OG-N 2.94Å; S311-E313 PolarHBondContact OG-OE2 2.64Å; E313-L315 VanDerWaalsContact C-N 3.3Å; E313-L315 PolarHBondContact O-N 3.29Å; E313-I316 WeakPolarHBondContact O-CB 3.43Å; E313-I316 PolarHBondContact O-N 2.77Å; E313-V317 PolarHBondContact O-N 2.75Å; E313-W404 PolarHBondContact OE2-NE1 3.42Å
314	R	97.1	Very high	97.6	Very high	116 Å²	116	35.2 Å²	35.2	44%	0.438	20%	0.199	S	C	.	.	H	α-helix	trans	-63.6	-34.2	176.7	-68.7	-170.6	65.2	132.1	3.1	112.3	S311 I316 V317 D318 E322	S311-R314 PolarHBondContact O-N 2.99Å; S311-R314 PolarHBondContact OG-N 2.97Å; R314-I316 PolarHBondContact O-N 3.41Å; R314-V317 PolarHBondContact O-N 3.43Å; R314-V317 VanDerWaalsContact O-N 3.12Å; R314-D318 IonicContact CZ-OD2 3.86Å; R314-D318 IonicContact NE-OD2 2.66Å; R314-D318 IonicContact NH2-OD2 3.13Å; R314-D318 PolarHBondContact NH2-OD2 2.7Å; R314-D318 CarbonylContact O-C 3.02Å; R314-D318 WeakPolarHBondContact O-CA 3.17Å; R314-D318 PolarHBondContact O-N 3.19Å; R314-D318 VanDerWaalsContact O-O 3.1Å; R314-E322 HydrophobicContact CB-CG 3.49Å; R314-E322 VanDerWaalsContact CB-CG 3.49Å; R314-E322 WeakPolarHBondContact CD-OE1 3.47Å; R314-E322 IonicContact NE-OE1 2.73Å; R314-E322 PolarHBondContact NE-OE1 3.01Å
315	L	96.6	Very high	97.7	Very high	10 Å²	10	35.5 Å²	35.5	5%	0.052	20%	0.198	C	C	.	.	H	α-helix	trans	-62.1	-14.2	175	-171.5	63.5	0	0	0	113.4	A167 L168 V241 V310 S311 E313 E322	A167-L315 HydrophobicContact CB-CD2 4.25Å; L168-L315 HydrophobicContact CB-CD2 3.93Å; L168-L315 HydrophobicContact CD1-CD1 4.44Å; V241-L315 HydrophobicContact CG1-CD2 4.07Å; V310-L315 HydrophobicContact CG1-CD2 4.46Å; S311-L315 VanDerWaalsContact O-CB 3.28Å; S311-L315 WeakPolarHBondContact O-CB 3.46Å; S311-L315 PolarHBondContact O-N 2.69Å; E313-L315 VanDerWaalsContact C-N 3.3Å; E313-L315 PolarHBondContact O-N 3.29Å; L315-E322 HydrophobicContact CD1-CB 4.39Å
316	I	94.7	Very high	97.7	Very high	49 Å²	49	30.7 Å²	30.7	25%	0.251	16%	0.164	S	C	.	.	H	α-helix	trans	-93.5	-43.4	171.9	-62.3	161.1	0	0	0	111.3	G312 E313 R314 F349 P350	G312-I316 WeakPolarHBondContact O-CD1 3.42Å; G312-I316 WeakPolarHBondContact O-CG1 3.29Å; E313-I316 WeakPolarHBondContact O-CB 3.43Å; E313-I316 PolarHBondContact O-N 2.77Å; R314-I316 PolarHBondContact O-N 3.41Å; I316-F349 HydrophobicContact CD1-CD1 4.38Å; I316-F349 HydrophobicContact CD1-CE1 3.84Å; I316-F349 HydrophobicContact CG1-CD1 4.09Å; I316-F349 HydrophobicContact CG1-CE1 4.06Å; I316-F349 HydrophobicContact CG2-CD1 4.05Å; I316-F349 HydrophobicContact CG2-CE1 4.34Å; I316-P350 WeakPolarHBondContact O-CD 3.33Å; I316-P350 WeakPolarHBondContact O-CG 3.38Å
317	V	95.3	Very high	97.7	Very high	131 Å²	131	28.9 Å²	28.9	79%	0.794	16%	0.156	S	C	*	.	H	α-helix	trans	-84.4	-44.9	-173.6	-179.7	0	0	0	0	112.6	E313 R314	E313-V317 PolarHBondContact O-N 2.75Å; R314-V317 PolarHBondContact O-N 3.43Å; R314-V317 VanDerWaalsContact O-N 3.12Å
318	D	96.9	Very high	97.7	Very high	51 Å²	51	31.9 Å²	31.9	27%	0.273	17%	0.172	S	C	.	.			trans	-133.4	70.2	-177.1	172.1	28.5	0	0	0	109.8	R314 A320 G321 E322	R314-D318 IonicContact CZ-OD2 3.86Å; R314-D318 IonicContact NE-OD2 2.66Å; R314-D318 IonicContact NH2-OD2 3.13Å; R314-D318 PolarHBondContact NH2-OD2 2.7Å; R314-D318 CarbonylContact O-C 3.02Å; R314-D318 WeakPolarHBondContact O-CA 3.17Å; R314-D318 PolarHBondContact O-N 3.19Å; R314-D318 VanDerWaalsContact O-O 3.1Å; D318-A320 PolarHBondContact O-N 2.75Å; D318-G321 PolarHBondContact O-N 3.39Å; D318-G321 WeakPolarHBondContact OD1-CA 3.32Å; D318-G321 PolarHBondContact OD1-N 2.78Å; D318-G321 WeakPolarHBondContact OD2-CA 3.2Å; D318-E322 PolarHBondContact O-N 3.34Å
319	P	97.1	Very high	97.7	Very high	14 Å²	14	32 Å²	32	9%	0.091	17%	0.172	C	C	.	.	H	α-helix	trans	-63.6	-25.7	178.2	26	-35	0	0	0	112.5	M323 F341 P350	P319-M323 VanDerWaalsContact O-CB 3.22Å; P319-M323 WeakPolarHBondContact O-CB 3.23Å; P319-M323 WeakPolarHBondContact O-CG 3.33Å; P319-M323 PolarHBondContact O-N 3.31Å; P319-F341 HydrophobicContact CB-CD1 3.88Å; P319-F341 HydrophobicContact CB-CD2 4.23Å; P319-F341 HydrophobicContact CB-CE1 3.85Å; P319-F341 HydrophobicContact CB-CE2 4.2Å; P319-F341 HydrophobicContact CB-CG 4.08Å; P319-F341 HydrophobicContact CB-CZ 4.02Å; P319-F341 HydrophobicContact CG-CB 4.04Å; P319-F341 HydrophobicContact CG-CD1 3.84Å; P319-F341 HydrophobicContact CG-CD2 4.02Å; P319-F341 HydrophobicContact CG-CE1 4.32Å; P319-F341 HydrophobicContact CG-CE2 4.48Å; P319-F341 HydrophobicContact CG-CG 3.68Å; P319-P350 HydrophobicContact CG-CB 4.11Å; P319-P350 HydrophobicContact CG-CG 4.38Å
320	A	97.2	Very high	97.7	Very high	22 Å²	22	31.9 Å²	31.9	18%	0.182	17%	0.172	C	C	.	.	H	α-helix	trans	-72.9	-44.2	-179.4	0	0	0	0	0	112.2	D318 M323 A324 D338 F341	D318-A320 PolarHBondContact O-N 2.75Å; A320-M323 PolarHBondContact O-N 3.15Å; A320-A324 PolarHBondContact O-N 3.45Å; A320-D338 HydrophobicContact CB-CB 4.23Å; A320-F341 HydrophobicContact CB-CD2 4.45Å
321	G	98.1	Very high	97.7	Very high	21 Å²	21	34.9 Å²	34.9	22%	0.216	20%	0.203	C	C	.	.	H	α-helix	trans	-66.8	-38	177.4	0	0	0	0	0	113.1	D318	D318-G321 PolarHBondContact O-N 3.39Å; D318-G321 WeakPolarHBondContact OD1-CA 3.32Å; D318-G321 PolarHBondContact OD1-N 2.78Å; D318-G321 WeakPolarHBondContact OD2-CA 3.2Å
322	E	98.2	Very high	97.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-67.6	-43.6	170.7	-66.4	-59.9	101.1	0	0	111.4	V310 S311 R314 L315 D318 A324 K325 V326	V310-E322 HydrophobicContact CG1-CB 4.21Å; V310-E322 HydrophobicContact CG1-CG 4.39Å; S311-E322 PolarHBondContact N-OE2 2.7Å; R314-E322 HydrophobicContact CB-CG 3.49Å; R314-E322 VanDerWaalsContact CB-CG 3.49Å; R314-E322 WeakPolarHBondContact CD-OE1 3.47Å; R314-E322 IonicContact NE-OE1 2.73Å; R314-E322 PolarHBondContact NE-OE1 3.01Å; L315-E322 HydrophobicContact CD1-CB 4.39Å; D318-E322 PolarHBondContact O-N 3.34Å; E322-A324 VanDerWaalsContact C-N 3.28Å; E322-A324 PolarHBondContact O-N 2.85Å; E322-K325 PolarHBondContact O-N 3.38Å; E322-K325 WeakPolarHBondContact OE1-CE 3.19Å; E322-K325 IonicContact OE1-NZ 3.7Å; E322-K325 PolarHBondContact OE1-NZ 3.04Å; E322-V326 WeakPolarHBondContact O-CG2 3.15Å; E322-V326 PolarHBondContact O-N 3.04Å; E322-V326 VanDerWaalsContact O-N 3.12Å
323	M	98.3	Very high	97.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.3	-33.3	177.3	-81.5	-60.3	-53.3	0	0	113.3	L168 A171 L172 P319 A320 V326 Q327 V336 F341	L168-M323 HydrophobicContact CD1-SD 3.59Å; L168-M323 VanDerWaalsContact CD1-SD 3.59Å; A171-M323 HydrophobicContact CB-CE 4.46Å; A171-M323 HydrophobicContact CB-CG 4.21Å; A171-M323 HydrophobicContact CB-SD 3.67Å; L172-M323 HydrophobicContact CD2-CE 3.78Å; L172-M323 HydrophobicContact CG-CE 3.97Å; L172-M323 HydrophobicContact CG-SD 4.28Å; P319-M323 VanDerWaalsContact O-CB 3.22Å; P319-M323 WeakPolarHBondContact O-CB 3.23Å; P319-M323 WeakPolarHBondContact O-CG 3.33Å; P319-M323 PolarHBondContact O-N 3.31Å; A320-M323 PolarHBondContact O-N 3.15Å; M323-V326 PolarHBondContact O-N 3.2Å; M323-Q327 VanDerWaalsContact C-NE2 3.32Å; M323-Q327 HydrophobicContact CE-CG 4.37Å; M323-Q327 WeakPolarHBondContact O-CB 3.04Å; M323-Q327 WeakPolarHBondContact O-CG 3.39Å; M323-Q327 PolarHBondContact O-N 3.22Å; M323-Q327 PolarHBondContact O-NE2 3.01Å; M323-V336 HydrophobicContact CB-CG1 4.48Å; M323-V336 HydrophobicContact CE-CB 3.94Å; M323-V336 HydrophobicContact CE-CG1 4Å; M323-V336 HydrophobicContact CE-CG2 4.23Å; M323-V336 HydrophobicContact CG-CG1 4.27Å; M323-F341 HydrophobicContact CG-CE2 4.33Å; M323-F341 HydrophobicContact CG-CZ 3.91Å
324	A	98.6	Very high	97.7	Very high	21 Å²	21	48.4 Å²	48.4	17%	0.174	26%	0.257	C	S	.	.	H	α-helix	trans	-58.2	-52.1	174	0	0	0	0	0	111.1	A320 E322 V326 Q327 D328	A320-A324 PolarHBondContact O-N 3.45Å; E322-A324 VanDerWaalsContact C-N 3.28Å; E322-A324 PolarHBondContact O-N 2.85Å; A324-V326 VanDerWaalsContact C-N 3.32Å; A324-V326 PolarHBondContact O-N 3.29Å; A324-Q327 PolarHBondContact O-N 3.12Å; A324-D328 VanDerWaalsContact O-CG 3.22Å; A324-D328 PolarHBondContact O-N 3.02Å; A324-D328 VanDerWaalsContact O-OD2 3.14Å
325	K	98.6	Very high	97.7	Very high	71 Å²	71	45.6 Å²	45.6	31%	0.309	25%	0.25	S	C	.	.	H	α-helix	trans	-58.4	-41.6	178.4	-58.4	169.3	-176.7	175.4	0	112.6	E322 D328 F329	E322-K325 PolarHBondContact O-N 3.38Å; E322-K325 WeakPolarHBondContact OE1-CE 3.19Å; E322-K325 IonicContact OE1-NZ 3.7Å; E322-K325 PolarHBondContact OE1-NZ 3.04Å; K325-D328 PolarHBondContact O-N 2.69Å; K325-F329 WeakPolarHBondContact O-CB 3.19Å; K325-F329 PolarHBondContact O-N 3.41Å
326	V	98.7	Very high	97.7	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-69.6	-37	-179.7	-176.6	0	0	0	0	111.2	L168 L172 I239 V310 E322 M323 A324 L330	L168-V326 HydrophobicContact CD1-CG1 4.42Å; L168-V326 HydrophobicContact CD1-CG2 4.09Å; L172-V326 HydrophobicContact CD1-CG1 4.13Å; L172-V326 HydrophobicContact CD2-CG1 3.91Å; L172-V326 HydrophobicContact CG-CG1 4.4Å; I239-V326 HydrophobicContact CD1-CG1 3.94Å; V310-V326 HydrophobicContact CG2-CG2 3.55Å; E322-V326 WeakPolarHBondContact O-CG2 3.15Å; E322-V326 PolarHBondContact O-N 3.04Å; E322-V326 VanDerWaalsContact O-N 3.12Å; M323-V326 PolarHBondContact O-N 3.2Å; A324-V326 VanDerWaalsContact C-N 3.32Å; A324-V326 PolarHBondContact O-N 3.29Å; V326-L330 HydrophobicContact CG1-CD1 4.09Å; V326-L330 HydrophobicContact CG1-CG 4.47Å; V326-L330 WeakPolarHBondContact O-CB 3.43Å; V326-L330 VanDerWaalsContact O-CG 3.29Å; V326-L330 WeakPolarHBondContact O-CG 3.31Å; V326-L330 PolarHBondContact O-N 3.22Å
327	Q	98.8	Very high	97.8	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-63.7	-47	173.2	-74.5	163.5	113.7	0	0	110.6	H175 M323 A324 F329 L330 G331 L332 K333 R334 V336	H175-Q327 PolarHBondContact CD2-OE1 2.96Å; M323-Q327 VanDerWaalsContact C-NE2 3.32Å; M323-Q327 HydrophobicContact CE-CG 4.37Å; M323-Q327 WeakPolarHBondContact O-CB 3.04Å; M323-Q327 WeakPolarHBondContact O-CG 3.39Å; M323-Q327 PolarHBondContact O-N 3.22Å; M323-Q327 PolarHBondContact O-NE2 3.01Å; A324-Q327 PolarHBondContact O-N 3.12Å; Q327-F329 PolarHBondContact O-N 3.11Å; Q327-L330 PolarHBondContact O-N 3.07Å; Q327-G331 PolarHBondContact O-N 3.34Å; Q327-L332 HydrophobicContact CB-CB 4.2Å; Q327-L332 HydrophobicContact CG-CB 4.42Å; Q327-L332 PolarHBondContact O-N 2.9Å; Q327-K333 PolarHBondContact OE1-O 3.4Å; Q327-R334 HydrophobicContact CB-CG 4.48Å; Q327-V336 PolarHBondContact NE2-O 3.36Å
328	D	98.7	Very high	97.7	Very high	74 Å²	74	43.3 Å²	43.3	40%	0.396	24%	0.236	S	C	.	.	H	α-helix	trans	-56.2	-50.9	175.5	-58.6	-40.8	0	0	0	111.9	A324 K325 L330 G331 R334	A324-D328 VanDerWaalsContact O-CG 3.22Å; A324-D328 PolarHBondContact O-N 3.02Å; A324-D328 VanDerWaalsContact O-OD2 3.14Å; K325-D328 PolarHBondContact O-N 2.69Å; D328-L330 VanDerWaalsContact C-N 3.32Å; D328-L330 PolarHBondContact O-N 2.73Å; D328-G331 PolarHBondContact O-N 2.93Å; D328-R334 IonicContact OD1-CZ 3.91Å; D328-R334 VanDerWaalsContact OD1-CZ 3.29Å; D328-R334 IonicContact OD1-NE 3.13Å; D328-R334 PolarHBondContact OD1-NE 3.44Å; D328-R334 IonicContact OD1-NH2 3.69Å; D328-R334 PolarHBondContact OD1-NH2 3.36Å; D328-R334 IonicContact OD2-CZ 3.33Å; D328-R334 IonicContact OD2-NE 2.69Å; D328-R334 PolarHBondContact OD2-NE 2.94Å; D328-R334 IonicContact OD2-NH2 3.69Å; D328-R334 PolarHBondContact OD2-NH2 3.04Å
329	F	98.8	Very high	97.6	Very high	33 Å²	33	48.2 Å²	48.2	15%	0.145	26%	0.255	C	S	.	.	H	α-helix	trans	-59.8	-40.9	-179.6	169.7	-107	0	0	0	112.2	K237 I239 H308 K325 Q327 G331	K237-F329 HydrophobicContact CB-CE1 3.77Å; K237-F329 HydrophobicContact CB-CZ 3.78Å; K237-F329 HydrophobicContact CD-CE1 4.35Å; K237-F329 HydrophobicContact CD-CZ 4.38Å; K237-F329 WeakPolarHBondContact CD-O 3.37Å; K237-F329 WeakPolarHBondContact CE-O 3.48Å; K237-F329 HydrophobicContact CG-CE1 4.4Å; K237-F329 HydrophobicContact CG-CZ 4.16Å; K237-F329 PolarHBondContact NZ-O 3.07Å; I239-F329 HydrophobicContact CD1-CD1 4.49Å; I239-F329 HydrophobicContact CD1-CE1 4.41Å; I239-F329 HydrophobicContact CG1-CD1 4.19Å; I239-F329 HydrophobicContact CG1-CE1 3.77Å; H308-F329 HydrophobicContact CB-CB 4.3Å; H308-F329 HydrophobicContact CB-CD1 3.43Å; H308-F329 VanDerWaalsContact CB-CD1 3.43Å; H308-F329 HydrophobicContact CB-CD2 3.78Å; H308-F329 HydrophobicContact CB-CE1 3.51Å; H308-F329 HydrophobicContact CB-CE2 3.86Å; H308-F329 HydrophobicContact CB-CG 3.55Å; H308-F329 HydrophobicContact CB-CZ 3.72Å; H308-F329 AromaticContact CG-CD1 3.97Å; H308-F329 AromaticContact CG-CG 3.82Å; K325-F329 WeakPolarHBondContact O-CB 3.19Å; K325-F329 PolarHBondContact O-N 3.41Å; Q327-F329 PolarHBondContact O-N 3.11Å; F329-G331 VanDerWaalsContact C-N 3.26Å; F329-G331 PolarHBondContact O-N 3.33Å
330	L	98.5	Very high	97.4	Very high	7 Å²	7	50.1 Å²	50.1	4%	0.037	26%	0.262	C	S	.	.	H	α-helix	trans	-69.5	-23.8	175.4	-71.4	174.6	0	0	0	112.6	A155 L172 I211 M213 K237 I239 V326 Q327 D328 L332	A155-L330 HydrophobicContact CB-CD2 3.45Å; A155-L330 VanDerWaalsContact CB-CD2 3.45Å; L172-L330 HydrophobicContact CD2-CD1 3.72Å; I211-L330 HydrophobicContact CD1-CB 4.11Å; M213-L330 HydrophobicContact CE-CD1 4.25Å; M213-L330 HydrophobicContact CE-CD2 4.41Å; M213-L330 HydrophobicContact SD-CD1 4.05Å; K237-L330 HydrophobicContact CD-CD2 4.33Å; K237-L330 PolarHBondContact NZ-O 2.72Å; I239-L330 HydrophobicContact CD1-CD2 4.21Å; I239-L330 HydrophobicContact CD1-CG 4.49Å; V326-L330 HydrophobicContact CG1-CD1 4.09Å; V326-L330 HydrophobicContact CG1-CG 4.47Å; V326-L330 WeakPolarHBondContact O-CB 3.43Å; V326-L330 VanDerWaalsContact O-CG 3.29Å; V326-L330 WeakPolarHBondContact O-CG 3.31Å; V326-L330 PolarHBondContact O-N 3.22Å; Q327-L330 PolarHBondContact O-N 3.07Å; D328-L330 VanDerWaalsContact C-N 3.32Å; D328-L330 PolarHBondContact O-N 2.73Å; L330-L332 HydrophobicContact CB-CD1 3.89Å; L330-L332 HydrophobicContact CB-CG 3.87Å; L330-L332 HydrophobicContact CD1-CD1 3.82Å
331	G	98.2	Very high	97.2	Very high	64 Å²	64	50.1 Å²	50.1	66%	0.66	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.3	20.3	-172.5	0	0	0	0	0	112.9	Q327 D328 F329	Q327-G331 PolarHBondContact O-N 3.34Å; D328-G331 PolarHBondContact O-N 2.93Å; F329-G331 VanDerWaalsContact C-N 3.26Å; F329-G331 PolarHBondContact O-N 3.33Å
332	L	98.2	Very high	96.9	Very high	20 Å²	20	52.4 Å²	52.4	11%	0.105	26%	0.261	C	S	.	.			trans	-92.4	154.1	-178.3	-64.6	174.3	0	0	0	111.4	D177 V178 I211 Q327 L330	D177-L332 HydrophobicContact CB-CD2 4.1Å; V178-L332 HydrophobicContact CG2-CD1 3.44Å; V178-L332 VanDerWaalsContact CG2-CD1 3.44Å; I211-L332 HydrophobicContact CD1-CD1 4.32Å; I211-L332 HydrophobicContact CD1-CD2 3.69Å; I211-L332 HydrophobicContact CD1-CG 3.94Å; I211-L332 HydrophobicContact CG1-CD2 4.25Å; Q327-L332 HydrophobicContact CB-CB 4.2Å; Q327-L332 HydrophobicContact CG-CB 4.42Å; Q327-L332 PolarHBondContact O-N 2.9Å; L330-L332 HydrophobicContact CB-CD1 3.89Å; L330-L332 HydrophobicContact CB-CG 3.87Å; L330-L332 HydrophobicContact CD1-CD1 3.82Å
333	K	98	Very high	96.6	Very high	162 Å²	162	57.8 Å²	57.8	70%	0.704	28%	0.284	S	S	*	.			trans	-63.8	142.6	169	-174.5	173.4	178.3	178.1	0	109.7	H175 Q327 I335	H175-K333 PolarHBondContact CD2-O 2.92Å; H175-K333 PolarHBondContact NE2-O 3.1Å; Q327-K333 PolarHBondContact OE1-O 3.4Å; K333-I335 VanDerWaalsContact C-N 3.27Å; K333-I335 HydrophobicContact CB-CD1 4.34Å; K333-I335 HydrophobicContact CB-CG1 4.06Å; K333-I335 HydrophobicContact CD-CD1 4.27Å; K333-I335 HydrophobicContact CD-CG1 4.11Å; K333-I335 HydrophobicContact CG-CD1 4.46Å; K333-I335 HydrophobicContact CG-CG1 3.92Å; K333-I335 PolarHBondContact O-N 3.02Å
334	R	97.8	Very high	96.2	Very high	150 Å²	150	59.6 Å²	59.6	57%	0.566	29%	0.294	S	S	*	.	S	Bend	trans	-73.9	78.5	173.9	-63.7	-174.4	-172.2	175.7	3.4	111	Q327 D328	Q327-R334 HydrophobicContact CB-CG 4.48Å; D328-R334 IonicContact OD1-CZ 3.91Å; D328-R334 VanDerWaalsContact OD1-CZ 3.29Å; D328-R334 IonicContact OD1-NE 3.13Å; D328-R334 PolarHBondContact OD1-NE 3.44Å; D328-R334 IonicContact OD1-NH2 3.69Å; D328-R334 PolarHBondContact OD1-NH2 3.36Å; D328-R334 IonicContact OD2-CZ 3.33Å; D328-R334 IonicContact OD2-NE 2.69Å; D328-R334 PolarHBondContact OD2-NE 2.94Å; D328-R334 IonicContact OD2-NH2 3.69Å; D328-R334 PolarHBondContact OD2-NH2 3.04Å
335	I	97	Very high	95.7	Very high	56 Å²	56	67.6 Å²	67.6	29%	0.287	33%	0.325	S	S	.	.			trans	-91.6	-41.4	177	-60.8	-178.9	0	0	0	110.7	P176 K333 T337 H340	P176-I335 HydrophobicContact CG-CD1 3.77Å; K333-I335 VanDerWaalsContact C-N 3.27Å; K333-I335 HydrophobicContact CB-CD1 4.34Å; K333-I335 HydrophobicContact CB-CG1 4.06Å; K333-I335 HydrophobicContact CD-CD1 4.27Å; K333-I335 HydrophobicContact CD-CG1 4.11Å; K333-I335 HydrophobicContact CG-CD1 4.46Å; K333-I335 HydrophobicContact CG-CG1 3.92Å; K333-I335 PolarHBondContact O-N 3.02Å; I335-T337 PolarHBondContact O-N 3.18Å; I335-H340 PolarHBondContact O-CE1 3Å
336	V	96.3	Very high	95	Very high	2 Å²	2	71.1 Å²	71.1	1%	0.012	35%	0.352	C	S	.	.			trans	-79.6	92.9	-177.7	-172.9	0	0	0	0	110.1	V174 H175 M323 Q327 H340 F341	V174-V336 HydrophobicContact CB-CG2 4.05Å; V174-V336 HydrophobicContact CG1-CG2 4.32Å; H175-V336 HydrophobicContact CB-CG2 4.04Å; M323-V336 HydrophobicContact CB-CG1 4.48Å; M323-V336 HydrophobicContact CE-CB 3.94Å; M323-V336 HydrophobicContact CE-CG1 4Å; M323-V336 HydrophobicContact CE-CG2 4.23Å; M323-V336 HydrophobicContact CG-CG1 4.27Å; Q327-V336 PolarHBondContact NE2-O 3.36Å; V336-H340 HydrophobicContact CG1-CB 4.23Å; V336-F341 HydrophobicContact CG1-CE2 3.88Å; V336-F341 HydrophobicContact CG1-CZ 3.89Å
337	T	96.3	Very high	94.4	Very high	49 Å²	49	73.4 Å²	73.4	30%	0.301	36%	0.363	S	S	.	.			trans	-105.3	179.9	174.6	84.9	0	0	0	0	113.1	I335 K339 H340 F341	I335-T337 PolarHBondContact O-N 3.18Å; T337-K339 PolarHBondContact O-N 3.46Å; T337-K339 PolarHBondContact OG1-N 2.98Å; T337-H340 PolarHBondContact N-ND1 3.21Å; T337-H340 VanDerWaalsContact N-ND1 3.11Å; T337-H340 WeakPolarHBondContact O-CB 3.38Å; T337-H340 PolarHBondContact O-N 2.88Å; T337-H340 PolarHBondContact O-ND1 3.5Å; T337-F341 WeakPolarHBondContact O-CD2 3.36Å
338	D	94.6	Very high	93.8	Very high	92 Å²	92	75.1 Å²	75.1	49%	0.492	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-35.7	-36.1	165.3	71.2	-55.4	0	0	0	115.7	A320 H340 F341 K353	A320-D338 HydrophobicContact CB-CB 4.23Å; D338-H340 PolarHBondContact O-N 3.12Å; D338-H340 VanDerWaalsContact O-N 3.08Å; D338-F341 PolarHBondContact O-N 3.39Å; D338-K353 PolarHBondContact O-NZ 2.75Å
339	K	92.9	Very high	93.5	Very high	154 Å²	154	74.6 Å²	74.6	67%	0.67	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-61.2	-17.1	178.2	-68.4	-177.7	179.2	-178.2	0	113.3	T337 K353	T337-K339 PolarHBondContact O-N 3.46Å; T337-K339 PolarHBondContact OG1-N 2.98Å; K339-K353 WeakPolarHBondContact O-CD 3.47Å
340	H	93.5	Very high	93.1	Very high	53 Å²	53	74.2 Å²	74.2	25%	0.245	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-96.8	-3.8	178.7	-52.8	83	0	0	0	113.3	V174 I335 V336 T337 D338 L352 K353	V174-H340 HydrophobicContact CG1-CB 4.45Å; I335-H340 PolarHBondContact O-CE1 3Å; V336-H340 HydrophobicContact CG1-CB 4.23Å; T337-H340 PolarHBondContact N-ND1 3.21Å; T337-H340 VanDerWaalsContact N-ND1 3.11Å; T337-H340 WeakPolarHBondContact O-CB 3.38Å; T337-H340 PolarHBondContact O-N 2.88Å; T337-H340 PolarHBondContact O-ND1 3.5Å; D338-H340 PolarHBondContact O-N 3.12Å; D338-H340 VanDerWaalsContact O-N 3.08Å; H340-L352 CarbonylContact O-C 3.59Å; H340-L352 WeakPolarHBondContact O-CA 3.37Å; H340-K353 PolarHBondContact O-N 3.49Å
341	F	94.1	Very high	92.8	Very high	23 Å²	23	74 Å²	74	10%	0.101	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	140.8	-176.8	-59.5	-76.4	0	0	0	112.8	A171 P319 A320 M323 V336 T337 D338 C351 L352 K353	A171-F341 HydrophobicContact CB-CE1 4.02Å; A171-F341 HydrophobicContact CB-CZ 3.97Å; P319-F341 HydrophobicContact CB-CD1 3.88Å; P319-F341 HydrophobicContact CB-CD2 4.23Å; P319-F341 HydrophobicContact CB-CE1 3.85Å; P319-F341 HydrophobicContact CB-CE2 4.2Å; P319-F341 HydrophobicContact CB-CG 4.08Å; P319-F341 HydrophobicContact CB-CZ 4.02Å; P319-F341 HydrophobicContact CG-CB 4.04Å; P319-F341 HydrophobicContact CG-CD1 3.84Å; P319-F341 HydrophobicContact CG-CD2 4.02Å; P319-F341 HydrophobicContact CG-CE1 4.32Å; P319-F341 HydrophobicContact CG-CE2 4.48Å; P319-F341 HydrophobicContact CG-CG 3.68Å; A320-F341 HydrophobicContact CB-CD2 4.45Å; M323-F341 HydrophobicContact CG-CE2 4.33Å; M323-F341 HydrophobicContact CG-CZ 3.91Å; V336-F341 HydrophobicContact CG1-CE2 3.88Å; V336-F341 HydrophobicContact CG1-CZ 3.89Å; T337-F341 WeakPolarHBondContact O-CD2 3.36Å; D338-F341 PolarHBondContact O-N 3.39Å; F341-C351 WeakPolarHBondContact CA-O 3.49Å; F341-L352 HydrophobicContact CD1-CD2 3.91Å; F341-L352 HydrophobicContact CE1-CD2 3.54Å; F341-L352 HydrophobicContact CZ-CD2 4.35Å; F341-K353 VanDerWaalsContact O-CD 3.3Å; F341-K353 WeakPolarHBondContact O-CD 3.45Å; F341-K353 WeakPolarHBondContact O-CE 3.46Å; F341-K353 PolarHBondContact O-NZ 3.46Å
342	Y	92.1	Very high	92.4	Very high	68 Å²	68	71.9 Å²	71.9	27%	0.267	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	145.2	164.4	78.8	-77.4	0	0	0	110.3	N344 P350 C351 L352 K353 P361 C363	Y342-N344 HydrophobicContact CE2-CB 4.06Å; Y342-P350 CarbonylContact O-C 3.47Å; Y342-P350 WeakPolarHBondContact O-CA 3.48Å; Y342-C351 HydrophobicContact CD1-CB 3.97Å; Y342-C351 WeakPolarHBondContact CD1-O 3.48Å; Y342-C351 HydrophobicContact CE1-CB 3.37Å; Y342-C351 HydrophobicContact CE2-CB 4.41Å; Y342-C351 PolarHBondContact N-O 2.91Å; Y342-C351 PolarHBondContact O-N 3.42Å; Y342-L352 WeakPolarHBondContact CE1-O 3.43Å; Y342-K353 HydrophobicContact CD1-CG 3.95Å; Y342-K353 HydrophobicContact CG-CG 4.34Å; Y342-P361 HydrophobicContact CE1-CB 3.65Å; Y342-P361 WeakPolarHBondContact OH-CB 3.47Å; Y342-C363 PolarHBondContact OH-SG 3.19Å
343	F	90.2	Very high	91.7	Very high	113 Å²	113	75.3 Å²	75.3	50%	0.496	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	120	176.5	-167.5	-95.2	0	0	0	110.7	K345 G348	F343-K345 HydrophobicContact CD1-CG 4.26Å; F343-K345 PolarHBondContact O-N 2.72Å; F343-G348 VanDerWaalsContact CZ-C 3.45Å
344	N	90.2	Very high	90.5	Very high	39 Å²	39	72.1 Å²	72.1	21%	0.209	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	100.6	175.3	-177.6	-31.8	0	0	0	109.3	Y342 T346 K347 G348 F349 C363	Y342-N344 HydrophobicContact CE2-CB 4.06Å; N344-T346 VanDerWaalsContact C-N 3.31Å; N344-T346 PolarHBondContact O-N 2.89Å; N344-T346 PolarHBondContact OD1-N 3.03Å; N344-T346 VanDerWaalsContact OD1-N 3.15Å; N344-K347 HydrophobicContact CB-CB 3.94Å; N344-K347 PolarHBondContact O-N 2.76Å; N344-K347 PolarHBondContact OD1-N 3.32Å; N344-G348 PolarHBondContact O-N 3.4Å; N344-F349 PolarHBondContact N-O 3.01Å; N344-C363 PolarHBondContact ND2-SG 3.18Å
345	K	88.1	Confident	88.9	Confident	188 Å²	188	69.3 Å²	69.3	82%	0.817	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-43.6	-179.4	-67.9	-173	177.6	-175.8	0	112.8	F343 K347 G348	F343-K345 HydrophobicContact CD1-CG 4.26Å; F343-K345 PolarHBondContact O-N 2.72Å; K345-K347 VanDerWaalsContact C-N 3.28Å; K345-K347 PolarHBondContact O-N 3.13Å; K345-G348 PolarHBondContact O-N 2.87Å
346	T	85	Confident	87	Confident	145 Å²	145	76 Å²	76	89%	0.89	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-28.2	179.4	-43.1	0	0	0	0	112.9	N344	N344-T346 VanDerWaalsContact C-N 3.31Å; N344-T346 PolarHBondContact O-N 2.89Å; N344-T346 PolarHBondContact OD1-N 3.03Å; N344-T346 VanDerWaalsContact OD1-N 3.15Å
347	K	85.9	Confident	85.2	Confident	49 Å²	49	83.6 Å²	83.6	21%	0.213	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-29.3	176	-166.5	-177.3	167.6	68.3	0	112.6	N344 K345 F349 C363 L364 K368	N344-K347 HydrophobicContact CB-CB 3.94Å; N344-K347 PolarHBondContact O-N 2.76Å; N344-K347 PolarHBondContact OD1-N 3.32Å; K345-K347 VanDerWaalsContact C-N 3.28Å; K345-K347 PolarHBondContact O-N 3.13Å; K347-F349 HydrophobicContact CD-CB 4.32Å; K347-F349 HydrophobicContact CG-CB 4.4Å; K347-F349 HydrophobicContact CG-CD2 4.27Å; K347-F349 VanDerWaalsContact O-CD2 3.31Å; K347-F349 WeakPolarHBondContact O-CD2 3.44Å; K347-C363 HydrophobicContact CD-CB 4.28Å; K347-L364 WeakPolarHBondContact CE-O 3.27Å; K347-L364 PolarHBondContact NZ-O 2.66Å; K347-K368 PolarHBondContact NZ-O 2.71Å
348	G	86.6	Confident	83.5	Confident	36 Å²	36	83.9 Å²	83.9	37%	0.371	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.3	20	-171.7	0	0	0	0	0	114.3	F343 N344 K345	F343-G348 VanDerWaalsContact CZ-C 3.45Å; N344-G348 PolarHBondContact O-N 3.4Å; K345-G348 PolarHBondContact O-N 2.87Å
349	F	90.8	Very high	81.9	Confident	63 Å²	63	84.4 Å²	84.4	28%	0.276	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	154.5	-176.9	-72.7	-85.1	0	0	0	111.9	I316 N344 K347 G369	I316-F349 HydrophobicContact CD1-CD1 4.38Å; I316-F349 HydrophobicContact CD1-CE1 3.84Å; I316-F349 HydrophobicContact CG1-CD1 4.09Å; I316-F349 HydrophobicContact CG1-CE1 4.06Å; I316-F349 HydrophobicContact CG2-CD1 4.05Å; I316-F349 HydrophobicContact CG2-CE1 4.34Å; N344-F349 PolarHBondContact N-O 3.01Å; K347-F349 HydrophobicContact CD-CB 4.32Å; K347-F349 HydrophobicContact CG-CB 4.4Å; K347-F349 HydrophobicContact CG-CD2 4.27Å; K347-F349 VanDerWaalsContact O-CD2 3.31Å; K347-F349 WeakPolarHBondContact O-CD2 3.44Å; F349-G369 VanDerWaalsContact CE2-CA 3.41Å
350	P	90.3	Very high	80.6	Confident	25 Å²	25	81.9 Å²	81.9	16%	0.162	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	146.9	166.2	29.1	-35	0	0	0	111.3	I316 P319 Y342	I316-P350 WeakPolarHBondContact O-CD 3.33Å; I316-P350 WeakPolarHBondContact O-CG 3.38Å; P319-P350 HydrophobicContact CG-CB 4.11Å; P319-P350 HydrophobicContact CG-CG 4.38Å; Y342-P350 CarbonylContact O-C 3.47Å; Y342-P350 WeakPolarHBondContact O-CA 3.48Å
351	C	92.1	Very high	79.4	Confident	4 Å²	4	82.5 Å²	82.5	3%	0.027	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	159.2	175.1	-63.8	0	0	0	0	109.4	F341 Y342 C363	F341-C351 WeakPolarHBondContact CA-O 3.49Å; Y342-C351 HydrophobicContact CD1-CB 3.97Å; Y342-C351 WeakPolarHBondContact CD1-O 3.48Å; Y342-C351 HydrophobicContact CE1-CB 3.37Å; Y342-C351 HydrophobicContact CE2-CB 4.41Å; Y342-C351 PolarHBondContact N-O 2.91Å; Y342-C351 PolarHBondContact O-N 3.42Å; C351-C363 HydrophobicContact CB-CB 3.94Å; C351-C363 WeakPolarHBondContact CB-SG 3.48Å; C351-C363 WeakPolarHBondContact SG-CA 3.38Å; C351-C363 WeakPolarHBondContact SG-CB 3.26Å; C351-C363 CovalentContact SG-SG 2.04Å; C351-C363 PolarHBondContact SG-SG 2.77Å
352	L	91.1	Very high	79	Confident	19 Å²	19	89.2 Å²	89.2	10%	0.099	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	127.5	179.7	-61.5	175.5	0	0	0	110.3	E170 A171 V174 H340 F341 Y342 R362	E170-L352 HydrophobicContact CB-CD1 4.11Å; A171-L352 HydrophobicContact CB-CD2 4.43Å; V174-L352 HydrophobicContact CG2-CD1 3.91Å; V174-L352 HydrophobicContact CG2-CD2 4.13Å; H340-L352 CarbonylContact O-C 3.59Å; H340-L352 WeakPolarHBondContact O-CA 3.37Å; F341-L352 HydrophobicContact CD1-CD2 3.91Å; F341-L352 HydrophobicContact CE1-CD2 3.54Å; F341-L352 HydrophobicContact CZ-CD2 4.35Å; Y342-L352 WeakPolarHBondContact CE1-O 3.43Å; L352-R362 HydrophobicContact CB-CB 4.22Å; L352-R362 PolarHBondContact N-O 2.78Å; L352-R362 PolarHBondContact O-N 3.34Å; L352-R362 VanDerWaalsContact O-N 3.1Å
353	K	83.5	Confident	78.8	Confident	91 Å²	91	88.1 Å²	88.1	40%	0.396	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-64.6	161.2	163.8	-76.3	167.8	173.5	152.9	0	109.2	D338 K339 H340 F341 Y342	D338-K353 PolarHBondContact O-NZ 2.75Å; K339-K353 WeakPolarHBondContact O-CD 3.47Å; H340-K353 PolarHBondContact O-N 3.49Å; F341-K353 VanDerWaalsContact O-CD 3.3Å; F341-K353 WeakPolarHBondContact O-CD 3.45Å; F341-K353 WeakPolarHBondContact O-CE 3.46Å; F341-K353 PolarHBondContact O-NZ 3.46Å; Y342-K353 HydrophobicContact CD1-CG 3.95Å; Y342-K353 HydrophobicContact CG-CG 4.34Å
354	K	72.4	Confident	78.8	Confident	96 Å²	96	84.9 Å²	84.9	42%	0.417	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-81.3	151.2	180	-49.6	157.6	153	-150.9	0	110.1	S358 S359 P361	K354-S358 WeakPolarHBondContact CD-O 3.38Å; K354-S358 WeakPolarHBondContact CE-O 3.48Å; K354-S358 PolarHBondContact NZ-O 3.45Å; K354-S359 VanDerWaalsContact CE-C 3.48Å; K354-S359 VanDerWaalsContact CE-O 3.24Å; K354-S359 WeakPolarHBondContact CE-O 3.27Å; K354-S359 PolarHBondContact NZ-O 3.47Å; K354-P361 HydrophobicContact CG-CG 4.41Å
355	P	63.6	Low	78.7	Confident	90 Å²	90	85.3 Å²	85.3	58%	0.584	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-59.3	153.5	141.4	-11.3	28.1	0	0	0	109.1	D357 S358	P355-D357 PolarHBondContact O-N 3.19Å; P355-S358 PolarHBondContact O-N 3.4Å
356	E	57.6	Low	78.6	Confident	196 Å²	196	86.2 Å²	86.2	92%	0.916	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-29.4	-169.5	-58.9	-170.4	147.7	0	0	112.9	S358	E356-S358 PolarHBondContact O-N 3.47Å
357	D	58.2	Low	78.7	Confident	163 Å²	163	82.3 Å²	82.3	87%	0.872	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-1.4	-176.1	-39.7	-73.2	0	0	0	115.8	P355	P355-D357 PolarHBondContact O-N 3.19Å
358	S	61.3	Low	79	Confident	55 Å²	55	83.5 Å²	83.5	39%	0.385	46%	0.457	S	S	.	.			trans	-106.2	134.1	-171.2	-160.5	0	0	0	0	114.3	K354 P355 E356	K354-S358 WeakPolarHBondContact CD-O 3.38Å; K354-S358 WeakPolarHBondContact CE-O 3.48Å; K354-S358 PolarHBondContact NZ-O 3.45Å; P355-S358 PolarHBondContact O-N 3.4Å; E356-S358 PolarHBondContact O-N 3.47Å
359	S	61.7	Low	79.1	Confident	103 Å²	103	83.7 Å²	83.7	72%	0.72	46%	0.458	S	S	*	.	S	Bend	trans	-75.1	-27.5	-170.1	62.2	0	0	0	0	115.4	K354	K354-S359 VanDerWaalsContact CE-C 3.48Å; K354-S359 VanDerWaalsContact CE-O 3.24Å; K354-S359 WeakPolarHBondContact CE-O 3.27Å; K354-S359 PolarHBondContact NZ-O 3.47Å
360	T	64.1	Low	79.2	Confident	100 Å²	100	83.9 Å²	83.9	61%	0.613	46%	0.457	S	S	*	.	S	Bend	trans	-127.7	134.3	-174.7	56.8	0	0	0	0	114
361	P	69.6	Low	79.3	Confident	67 Å²	67	89.1 Å²	89.1	44%	0.435	49%	0.489	S	S	.	.			trans	-68.9	145.5	174.8	-18.2	32	0	0	0	113	Y342 K354 C363	Y342-P361 HydrophobicContact CE1-CB 3.65Å; Y342-P361 WeakPolarHBondContact OH-CB 3.47Å; K354-P361 HydrophobicContact CG-CG 4.41Å; P361-C363 PolarHBondContact O-N 2.85Å
362	R	84.4	Confident	79.5	Confident	164 Å²	164	92 Å²	92	62%	0.619	50%	0.502	S	S	*	.	B	Isolated β-bridge	trans	-99.6	86.6	-172.5	-131.4	-172.6	-151.7	-149.3	12.4	112.6	E170 L352	E170-R362 IonicContact OE2-NH1 3.17Å; E170-R362 PolarHBondContact OE2-NH1 2.79Å; L352-R362 HydrophobicContact CB-CB 4.22Å; L352-R362 PolarHBondContact N-O 2.78Å; L352-R362 PolarHBondContact O-N 3.34Å; L352-R362 VanDerWaalsContact O-N 3.1Å
363	C	89.3	Confident	79.6	Confident	44 Å²	44	93.4 Å²	93.4	30%	0.297	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-80.2	147.1	164.4	-79.8	0	0	0	0	112.2	Y342 N344 K347 C351 P361 G365	Y342-C363 PolarHBondContact OH-SG 3.19Å; N344-C363 PolarHBondContact ND2-SG 3.18Å; K347-C363 HydrophobicContact CD-CB 4.28Å; C351-C363 HydrophobicContact CB-CB 3.94Å; C351-C363 WeakPolarHBondContact CB-SG 3.48Å; C351-C363 WeakPolarHBondContact SG-CA 3.38Å; C351-C363 WeakPolarHBondContact SG-CB 3.26Å; C351-C363 CovalentContact SG-SG 2.04Å; C351-C363 PolarHBondContact SG-SG 2.77Å; P361-C363 PolarHBondContact O-N 2.85Å; C363-G365 PolarHBondContact O-N 2.9Å
364	L	89.1	Confident	80.2	Confident	45 Å²	45	98.6 Å²	98.6	24%	0.236	53%	0.534	C	S	.	.	P	Polyproline II helix	trans	-62.7	135.2	167.6	-63.5	175.9	0	0	0	110.7	A167 E170 K347 K368	A167-L364 HydrophobicContact CB-CD1 3.84Å; E170-L364 HydrophobicContact CB-CD2 4.48Å; E170-L364 HydrophobicContact CG-CD2 3.89Å; K347-L364 WeakPolarHBondContact CE-O 3.27Å; K347-L364 PolarHBondContact NZ-O 2.66Å; L364-K368 HydrophobicContact CB-CB 3.83Å; L364-K368 HydrophobicContact CB-CG 4.03Å; L364-K368 HydrophobicContact CD1-CB 4.15Å; L364-K368 HydrophobicContact CD1-CG 4.35Å
365	G	87.3	Confident	81.3	Confident	48 Å²	48	94.9 Å²	94.9	50%	0.495	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-62.4	173.8	-176	0	0	0	0	0	115.3	C363 S367 K368	C363-G365 PolarHBondContact O-N 2.9Å; G365-S367 PolarHBondContact O-N 3.06Å; G365-K368 PolarHBondContact O-N 3Å
366	K	87.5	Confident	82.8	Confident	207 Å²	207	93.1 Å²	93.1	90%	0.9	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-23.4	-174.1	-59.5	-175.9	-178	-178.5	0	114.6	K368	K366-K368 VanDerWaalsContact C-N 3.26Å; K366-K368 PolarHBondContact O-N 3.23Å
367	S	86.6	Confident	84.6	Confident	64 Å²	64	88.2 Å²	88.2	45%	0.448	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	0.3	177.2	68.4	0	0	0	0	115	G365 R370	G365-S367 PolarHBondContact O-N 3.06Å; S367-R370 PolarHBondContact O-NH1 2.7Å
368	K	92.1	Very high	86.3	Confident	74 Å²	74	82.3 Å²	82.3	32%	0.322	46%	0.458	S	S	.	.	S	Bend	trans	-125.4	128.1	176.5	-48.9	-63.6	174.7	-178.7	0	109.1	K347 L364 G365 K366	K347-K368 PolarHBondContact NZ-O 2.71Å; L364-K368 HydrophobicContact CB-CB 3.83Å; L364-K368 HydrophobicContact CB-CG 4.03Å; L364-K368 HydrophobicContact CD1-CB 4.15Å; L364-K368 HydrophobicContact CD1-CG 4.35Å; G365-K368 PolarHBondContact O-N 3Å; K366-K368 VanDerWaalsContact C-N 3.26Å; K366-K368 PolarHBondContact O-N 3.23Å
369	G	88.9	Confident	87.9	Confident	39 Å²	39	79.7 Å²	79.7	40%	0.402	44%	0.44	S	S	.	.	S	Bend	trans	73.2	57.3	-167.1	0	0	0	0	0	112.1	F349	F349-G369 VanDerWaalsContact CE2-CA 3.41Å
370	R	91.9	Very high	89.5	Confident	68 Å²	68	77 Å²	77	26%	0.257	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-76.6	141.6	166.5	-72.4	179.6	-175.4	68.1	-5.4	108.6	T254 S258 S367 H372	T254-R370 HydrophobicContact CG2-CB 3.99Å; S258-R370 PolarHBondContact OG-NE 3.28Å; S258-R370 PolarHBondContact OG-NH2 3.4Å; S367-R370 PolarHBondContact O-NH1 2.7Å; R370-H372 PolarHBondContact O-CD2 3.28Å; R370-H372 PolarHBondContact O-N 2.76Å
371	T	93.3	Very high	90.9	Very high	134 Å²	134	79.7 Å²	79.7	82%	0.822	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-52.9	133.3	160.3	-41.9	0	0	0	0	109.4	T254	T254-T371 WeakPolarHBondContact CG2-O 3.23Å
372	H	95.4	Very high	92.1	Very high	66 Å²	66	80.6 Å²	80.6	31%	0.306	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-87.3	149	173.2	-69.2	-178	0	0	0	109.7	R243 T247 I250 S251 R370	R243-H372 PolarHBondContact NH2-CE1 2.91Å; T247-H372 PolarHBondContact O-CE1 3.45Å; I250-H372 HydrophobicContact CG2-CB 3.86Å; S251-H372 VanDerWaalsContact CA-NE2 3.31Å; S251-H372 WeakPolarHBondContact CA-NE2 3.41Å; S251-H372 WeakPolarHBondContact CB-CE1 3.44Å; S251-H372 WeakPolarHBondContact CB-NE2 3.18Å; S251-H372 PolarHBondContact OG-NE2 2.96Å; R370-H372 PolarHBondContact O-CD2 3.28Å; R370-H372 PolarHBondContact O-N 2.76Å
373	P	94.8	Very high	92.7	Very high	48 Å²	48	72.8 Å²	72.8	31%	0.312	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-65.2	150.6	168.4	28.7	-31.9	0	0	0	109.9	Y253 T254 I375	Y253-P373 HydrophobicContact CD1-CG 4.17Å; Y253-P373 HydrophobicContact CE1-CG 3.92Å; T254-P373 WeakPolarHBondContact OG1-CD 3.41Å; P373-I375 HydrophobicContact CB-CD1 4.49Å; P373-I375 HydrophobicContact CG-CD1 4Å; P373-I375 PolarHBondContact O-N 3.41Å
374	K	95.8	Very high	93	Very high	199 Å²	199	71.4 Å²	71.4	87%	0.865	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-67.7	120.5	171	-175.6	178	-179.1	179.7	0	108.4
375	I	95.9	Very high	93.3	Very high	19 Å²	19	77.2 Å²	77.2	10%	0.097	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-98.3	149.5	176.5	-55.2	-50.7	0	0	0	109.3	I250 F266 E267 P373 P377 V379 I380	I250-I375 HydrophobicContact CD1-CG1 3.95Å; I250-I375 HydrophobicContact CG1-CG1 4.08Å; I250-I375 HydrophobicContact CG2-CD1 4.47Å; I250-I375 HydrophobicContact CG2-CG1 4.08Å; F266-I375 HydrophobicContact CB-CD1 3.65Å; F266-I375 HydrophobicContact CD1-CD1 3.92Å; F266-I375 HydrophobicContact CD1-CG1 4.16Å; F266-I375 HydrophobicContact CD1-CG2 3.69Å; F266-I375 HydrophobicContact CE1-CG2 4.05Å; F266-I375 HydrophobicContact CG-CD1 3.88Å; F266-I375 HydrophobicContact CG-CG1 4.5Å; E267-I375 WeakPolarHBondContact OE1-CA 3.42Å; P373-I375 HydrophobicContact CB-CD1 4.49Å; P373-I375 HydrophobicContact CG-CD1 4Å; P373-I375 PolarHBondContact O-N 3.41Å; I375-P377 WeakPolarHBondContact O-CD 3.5Å; I375-V379 HydrophobicContact CG2-CB 4.31Å; I375-V379 HydrophobicContact CG2-CG1 4.19Å; I375-I380 HydrophobicContact CB-CD1 3.89Å; I375-I380 HydrophobicContact CB-CG1 4.24Å; I375-I380 HydrophobicContact CG1-CD1 4.5Å; I375-I380 HydrophobicContact CG2-CD1 3.7Å; I375-I380 HydrophobicContact CG2-CG1 4.02Å
376	D	95.3	Very high	93.7	Very high	52 Å²	52	76.7 Å²	76.7	28%	0.278	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-55.6	122.2	171	-174.4	-35	0	0	0	112.2	E267 R274 D378 V379 I380	E267-D376 HydrophobicContact CG-CB 3.89Å; E267-D376 PolarHBondContact OE1-N 2.94Å; R274-D376 IonicContact CZ-OD2 2.68Å; R274-D376 IonicContact NH1-OD2 3.12Å; R274-D376 IonicContact NH2-OD2 3.72Å; R274-D376 PolarHBondContact NH2-OD2 3.04Å; D376-D378 VanDerWaalsContact C-N 3.27Å; D376-D378 PolarHBondContact O-N 2.95Å; D376-D378 PolarHBondContact OD1-N 3.44Å; D376-V379 HydrophobicContact CB-CB 4.11Å; D376-V379 HydrophobicContact CB-CG2 3.88Å; D376-V379 WeakPolarHBondContact O-CA 3.23Å; D376-V379 WeakPolarHBondContact O-CB 3.18Å; D376-V379 PolarHBondContact O-N 3.4Å; D376-I380 PolarHBondContact O-N 2.93Å
377	P	95.4	Very high	94.2	Very high	94 Å²	94	66.9 Å²	66.9	61%	0.61	34%	0.335	S	S	*	.	H	α-helix	trans	-58.4	-30	-179.6	-26.9	36	0	0	0	115.1	I375 V379 I380 R381	I375-P377 WeakPolarHBondContact O-CD 3.5Å; P377-V379 VanDerWaalsContact C-N 3.33Å; P377-I380 PolarHBondContact O-N 2.97Å; P377-R381 WeakPolarHBondContact O-CB 3.42Å; P377-R381 PolarHBondContact O-N 2.86Å
378	D	93.1	Very high	94.6	Very high	38 Å²	38	67.5 Å²	67.5	20%	0.203	33%	0.33	C	S	.	.	H	α-helix	trans	-71.5	-32.9	175.6	-175.1	49.8	0	0	0	111.3	D376 R381 R382	D376-D378 VanDerWaalsContact C-N 3.27Å; D376-D378 PolarHBondContact O-N 2.95Å; D376-D378 PolarHBondContact OD1-N 3.44Å; D378-R381 PolarHBondContact O-N 2.9Å; D378-R381 IonicContact OD1-CZ 3.41Å; D378-R381 IonicContact OD1-NE 3.28Å; D378-R381 PolarHBondContact OD1-NE 2.98Å; D378-R381 IonicContact OD1-NH2 2.7Å; D378-R381 PolarHBondContact OD1-NH2 3.49Å; D378-R382 WeakPolarHBondContact O-CB 3.4Å; D378-R382 VanDerWaalsContact O-CG 3.26Å; D378-R382 WeakPolarHBondContact O-CG 3.49Å; D378-R382 PolarHBondContact O-N 2.67Å; D378-R382 IonicContact OD1-NE 3.6Å; D378-R382 IonicContact OD2-CZ 3.15Å; D378-R382 IonicContact OD2-NE 2.76Å; D378-R382 PolarHBondContact OD2-NE 3.28Å; D378-R382 IonicContact OD2-NH2 3.93Å; D378-R382 PolarHBondContact OD2-NH2 2.86Å
379	V	94.3	Very high	94.9	Very high	1 Å²	1	66 Å²	66	1%	0.006	33%	0.327	C	S	.	.	H	α-helix	trans	-68.4	-39.7	173.3	173.4	0	0	0	0	111.1	F266 E267 A270 F271 I375 D376 P377 L383	F266-V379 HydrophobicContact CD1-CG1 4.27Å; F266-V379 HydrophobicContact CE1-CG1 4.14Å; E267-V379 HydrophobicContact CB-CG2 4.14Å; E267-V379 HydrophobicContact CG-CB 4.27Å; E267-V379 HydrophobicContact CG-CG1 4.34Å; E267-V379 HydrophobicContact CG-CG2 3.82Å; A270-V379 HydrophobicContact CB-CG1 4.45Å; F271-V379 HydrophobicContact CE2-CB 4.21Å; F271-V379 HydrophobicContact CE2-CG1 3.73Å; F271-V379 HydrophobicContact CE2-CG2 3.67Å; F271-V379 HydrophobicContact CZ-CB 4.45Å; F271-V379 HydrophobicContact CZ-CG1 4.22Å; F271-V379 HydrophobicContact CZ-CG2 4.03Å; I375-V379 HydrophobicContact CG2-CB 4.31Å; I375-V379 HydrophobicContact CG2-CG1 4.19Å; D376-V379 HydrophobicContact CB-CB 4.11Å; D376-V379 HydrophobicContact CB-CG2 3.88Å; D376-V379 WeakPolarHBondContact O-CA 3.23Å; D376-V379 WeakPolarHBondContact O-CB 3.18Å; D376-V379 PolarHBondContact O-N 3.4Å; P377-V379 VanDerWaalsContact C-N 3.33Å; V379-L383 HydrophobicContact CG1-CD1 4.13Å; V379-L383 WeakPolarHBondContact O-CB 3.48Å; V379-L383 WeakPolarHBondContact O-CG 3.24Å; V379-L383 PolarHBondContact O-N 2.73Å
380	I	95.3	Very high	95.3	Very high	46 Å²	46	64.5 Å²	64.5	24%	0.236	31%	0.31	C	S	.	.	H	α-helix	trans	-57.3	-55.6	170.6	-62.2	-59.8	0	0	0	110.2	V246 I250 I375 D376 P377 R382 L383 H384	V246-I380 HydrophobicContact CG1-CD1 3.93Å; V246-I380 HydrophobicContact CG1-CG2 4.48Å; I250-I380 HydrophobicContact CD1-CD1 3.5Å; I250-I380 VanDerWaalsContact CD1-CD1 3.5Å; I375-I380 HydrophobicContact CB-CD1 3.89Å; I375-I380 HydrophobicContact CB-CG1 4.24Å; I375-I380 HydrophobicContact CG1-CD1 4.5Å; I375-I380 HydrophobicContact CG2-CD1 3.7Å; I375-I380 HydrophobicContact CG2-CG1 4.02Å; D376-I380 PolarHBondContact O-N 2.93Å; P377-I380 PolarHBondContact O-N 2.97Å; I380-R382 VanDerWaalsContact C-N 3.35Å; I380-R382 PolarHBondContact O-N 3.18Å; I380-L383 WeakPolarHBondContact O-CA 3.26Å; I380-L383 WeakPolarHBondContact O-CB 3.35Å; I380-L383 PolarHBondContact O-N 2.8Å; I380-H384 PolarHBondContact O-CD2 2.83Å; I380-H384 PolarHBondContact O-N 3.24Å
381	R	94.5	Very high	95.6	Very high	157 Å²	157	61.4 Å²	61.4	59%	0.592	30%	0.299	S	S	*	.	H	α-helix	trans	-56.4	-43.8	-179.8	-174.8	-179.8	67.1	144.1	-2	113	P377 D378 L383 H384 K385	P377-R381 WeakPolarHBondContact O-CB 3.42Å; P377-R381 PolarHBondContact O-N 2.86Å; D378-R381 PolarHBondContact O-N 2.9Å; D378-R381 IonicContact OD1-CZ 3.41Å; D378-R381 IonicContact OD1-NE 3.28Å; D378-R381 PolarHBondContact OD1-NE 2.98Å; D378-R381 IonicContact OD1-NH2 2.7Å; D378-R381 PolarHBondContact OD1-NH2 3.49Å; R381-L383 VanDerWaalsContact C-N 3.32Å; R381-L383 PolarHBondContact O-N 3.35Å; R381-H384 PolarHBondContact O-N 2.86Å; R381-K385 WeakPolarHBondContact O-CB 3.45Å; R381-K385 PolarHBondContact O-N 3.35Å
382	R	94.4	Very high	95.8	Very high	86 Å²	86	60 Å²	60	33%	0.325	28%	0.284	S	S	.	.	H	α-helix	trans	-64.4	-35.3	175.9	-71.8	179.4	-160.3	-138.1	12.1	112.2	F271 G277 I279 D378 I380 F386	F271-R382 HydrophobicContact CE1-CB 4.48Å; F271-R382 HydrophobicContact CZ-CB 4.29Å; G277-R382 VanDerWaalsContact CA-NH1 3.29Å; I279-R382 HydrophobicContact CD1-CB 4.46Å; D378-R382 WeakPolarHBondContact O-CB 3.4Å; D378-R382 VanDerWaalsContact O-CG 3.26Å; D378-R382 WeakPolarHBondContact O-CG 3.49Å; D378-R382 PolarHBondContact O-N 2.67Å; D378-R382 IonicContact OD1-NE 3.6Å; D378-R382 IonicContact OD2-CZ 3.15Å; D378-R382 IonicContact OD2-NE 2.76Å; D378-R382 PolarHBondContact OD2-NE 3.28Å; D378-R382 IonicContact OD2-NH2 3.93Å; D378-R382 PolarHBondContact OD2-NH2 2.86Å; I380-R382 VanDerWaalsContact C-N 3.35Å; I380-R382 PolarHBondContact O-N 3.18Å; R382-F386 WeakPolarHBondContact O-CB 3.31Å; R382-F386 PolarHBondContact O-N 3.42Å
383	L	95.9	Very high	95.9	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-72.2	-41.5	175.6	-76.3	171.3	0	0	0	112.8	V246 F266 I279 L286 V379 I380 R381 F386 Y387	V246-L383 HydrophobicContact CG1-CB 4.12Å; V246-L383 HydrophobicContact CG1-CD1 4.35Å; V246-L383 HydrophobicContact CG2-CB 3.92Å; F266-L383 HydrophobicContact CE1-CD1 3.49Å; F266-L383 VanDerWaalsContact CE1-CD1 3.49Å; F266-L383 HydrophobicContact CZ-CD1 3.65Å; I279-L383 HydrophobicContact CD1-CD2 3.81Å; I279-L383 HydrophobicContact CD1-CG 4.23Å; I279-L383 HydrophobicContact CG2-CD2 4.12Å; L286-L383 HydrophobicContact CD1-CD2 3.98Å; L286-L383 HydrophobicContact CD2-CD1 4.38Å; L286-L383 HydrophobicContact CD2-CD2 3.64Å; L286-L383 HydrophobicContact CG-CD2 4.5Å; V379-L383 HydrophobicContact CG1-CD1 4.13Å; V379-L383 WeakPolarHBondContact O-CB 3.48Å; V379-L383 WeakPolarHBondContact O-CG 3.24Å; V379-L383 PolarHBondContact O-N 2.73Å; I380-L383 WeakPolarHBondContact O-CA 3.26Å; I380-L383 WeakPolarHBondContact O-CB 3.35Å; I380-L383 PolarHBondContact O-N 2.8Å; R381-L383 VanDerWaalsContact C-N 3.32Å; R381-L383 PolarHBondContact O-N 3.35Å; L383-F386 WeakPolarHBondContact O-CB 3.5Å; L383-F386 PolarHBondContact O-N 3.32Å; L383-Y387 HydrophobicContact CD2-CE2 4.24Å; L383-Y387 WeakPolarHBondContact O-CD2 3.41Å; L383-Y387 PolarHBondContact O-N 3.41Å
384	H	95.9	Very high	96.1	Very high	14 Å²	14	55.4 Å²	55.4	7%	0.065	26%	0.259	C	S	.	.	H	α-helix	trans	-56.8	-51	171.2	-82.4	-102.5	0	0	0	110.3	N244 I380 R381 F386 Y387 K388 E408	N244-H384 PolarHBondContact ND2-CE1 2.96Å; I380-H384 PolarHBondContact O-CD2 2.83Å; I380-H384 PolarHBondContact O-N 3.24Å; R381-H384 PolarHBondContact O-N 2.86Å; H384-F386 VanDerWaalsContact C-N 3.26Å; H384-F386 PolarHBondContact O-N 3.28Å; H384-Y387 PolarHBondContact O-N 3.45Å; H384-Y387 VanDerWaalsContact O-N 3.12Å; H384-K388 WeakPolarHBondContact O-CB 3.35Å; H384-K388 PolarHBondContact O-N 2.87Å; H384-E408 HydrophobicContact CB-CG 4.44Å
385	K	95.2	Very high	96.2	Very high	168 Å²	168	46.8 Å²	46.8	73%	0.73	22%	0.221	S	C	*	.	H	α-helix	trans	-57.4	-34.2	175.6	-173.5	174.2	-178.8	176.8	0	113.8	R381	R381-K385 WeakPolarHBondContact O-CB 3.45Å; R381-K385 PolarHBondContact O-N 3.35Å
386	F	95.9	Very high	96.3	Very high	37 Å²	37	49.9 Å²	49.9	16%	0.162	24%	0.235	C	C	.	.	H	α-helix	trans	-70.7	-42	175.4	167.5	-96.6	0	0	0	112.7	L70 I279 A281 I290 R382 L383 H384 F390	L70-F386 HydrophobicContact CD2-CE2 4.48Å; L70-F386 HydrophobicContact CD2-CZ 4.5Å; I279-F386 HydrophobicContact CB-CD2 4.07Å; I279-F386 HydrophobicContact CB-CE2 4.42Å; I279-F386 HydrophobicContact CB-CG 4.33Å; I279-F386 HydrophobicContact CG1-CB 4.16Å; I279-F386 HydrophobicContact CG1-CD2 4.3Å; I279-F386 HydrophobicContact CG1-CG 4.25Å; I279-F386 HydrophobicContact CG2-CD1 4.14Å; I279-F386 HydrophobicContact CG2-CD2 4.02Å; I279-F386 HydrophobicContact CG2-CE1 4.24Å; I279-F386 HydrophobicContact CG2-CE2 4.13Å; I279-F386 HydrophobicContact CG2-CG 4.04Å; I279-F386 HydrophobicContact CG2-CZ 4.24Å; A281-F386 HydrophobicContact CB-CE2 4.15Å; A281-F386 HydrophobicContact CB-CZ 3.78Å; I290-F386 HydrophobicContact CD1-CE1 4.31Å; I290-F386 HydrophobicContact CD1-CZ 3.95Å; I290-F386 HydrophobicContact CG1-CE1 4.46Å; R382-F386 WeakPolarHBondContact O-CB 3.31Å; R382-F386 PolarHBondContact O-N 3.42Å; L383-F386 WeakPolarHBondContact O-CB 3.5Å; L383-F386 PolarHBondContact O-N 3.32Å; H384-F386 VanDerWaalsContact C-N 3.26Å; H384-F386 PolarHBondContact O-N 3.28Å; F386-F390 HydrophobicContact CE2-CE2 4.3Å; F386-F390 HydrophobicContact CZ-CE2 4.32Å; F386-F390 VanDerWaalsContact O-CD2 3.32Å; F386-F390 WeakPolarHBondContact O-CD2 3.3Å; F386-F390 WeakPolarHBondContact O-CE2 3.38Å
387	Y	97.6	Very high	96.4	Very high	1 Å²	1	49.1 Å²	49.1	0%	0.004	23%	0.23	C	C	.	.	H	α-helix	trans	-80.1	-30.9	-178.9	-73	-68.1	0	0	0	113.9	P245 V246 L286 I290 L383 H384 P389 F390 N391	P245-Y387 HydrophobicContact CB-CD1 3.51Å; P245-Y387 HydrophobicContact CB-CD2 3.65Å; P245-Y387 HydrophobicContact CB-CE1 3.53Å; P245-Y387 HydrophobicContact CB-CE2 3.66Å; P245-Y387 HydrophobicContact CB-CG 3.57Å; P245-Y387 HydrophobicContact CG-CD1 4.03Å; P245-Y387 HydrophobicContact CG-CE1 4.43Å; P245-Y387 HydrophobicContact CG-CG 4.09Å; V246-Y387 HydrophobicContact CG2-CD2 3.7Å; V246-Y387 HydrophobicContact CG2-CE2 4.05Å; L286-Y387 VanDerWaalsContact CA-OH 3.31Å; L286-Y387 WeakPolarHBondContact CA-OH 3.41Å; L286-Y387 HydrophobicContact CD2-CE2 4.34Å; L286-Y387 VanDerWaalsContact CD2-OH 3.3Å; L286-Y387 WeakPolarHBondContact CD2-OH 3.29Å; L286-Y387 PolarHBondContact O-OH 3.37Å; L286-Y387 VanDerWaalsContact O-OH 3.06Å; I290-Y387 HydrophobicContact CG1-CE1 4.15Å; L383-Y387 HydrophobicContact CD2-CE2 4.24Å; L383-Y387 WeakPolarHBondContact O-CD2 3.41Å; L383-Y387 PolarHBondContact O-N 3.41Å; H384-Y387 PolarHBondContact O-N 3.45Å; H384-Y387 VanDerWaalsContact O-N 3.12Å; Y387-P389 VanDerWaalsContact O-N 3.14Å; Y387-F390 CarbonylContact O-C 3.54Å; Y387-F390 WeakPolarHBondContact O-CA 3.49Å; Y387-F390 WeakPolarHBondContact O-CB 3.44Å; Y387-F390 PolarHBondContact O-N 2.83Å; Y387-N391 PolarHBondContact O-N 2.88Å
388	K	96.8	Very high	96.5	Very high	77 Å²	77	45.8 Å²	45.8	34%	0.335	21%	0.208	S	C	.	.	H	α-helix	trans	-38.6	-52.3	-177.5	-169.3	170.9	-139.9	92.1	0	115.1	H384 F390 N391 M392 E405 E408	H384-K388 WeakPolarHBondContact O-CB 3.35Å; H384-K388 PolarHBondContact O-N 2.87Å; K388-F390 PolarHBondContact O-N 3.03Å; K388-N391 PolarHBondContact O-N 2.75Å; K388-M392 WeakPolarHBondContact O-CG 3.27Å; K388-M392 PolarHBondContact O-N 2.81Å; K388-E405 WeakPolarHBondContact CE-OE2 3.35Å; K388-E405 VanDerWaalsContact CG-OE2 3.24Å; K388-E405 WeakPolarHBondContact CG-OE2 3.24Å; K388-E405 IonicContact NZ-OE2 2.67Å; K388-E405 PolarHBondContact NZ-OE2 2.86Å; K388-E408 IonicContact NZ-OE2 2.95Å; K388-E408 PolarHBondContact NZ-OE2 3.43Å
389	P	97.1	Very high	96.7	Very high	41 Å²	41	47.6 Å²	47.6	27%	0.266	24%	0.236	S	C	.	.	H	α-helix	trans	-63.9	-39.5	177.5	25.2	-34.9	0	0	0	113.6	L66 Y387 N391 M392 M393	L66-P389 HydrophobicContact CD1-CB 3.79Å; L66-P389 HydrophobicContact CD1-CG 4.27Å; Y387-P389 VanDerWaalsContact O-N 3.14Å; P389-N391 VanDerWaalsContact C-N 3.35Å; P389-M392 PolarHBondContact O-N 3.34Å; P389-M393 WeakPolarHBondContact O-CB 3.48Å; P389-M393 PolarHBondContact O-N 3.37Å
390	F	97.7	Very high	96.8	Very high	9 Å²	9	50 Å²	50	4%	0.039	25%	0.247	C	C	.	.	H	α-helix	trans	-73.5	-27.3	178	-52.2	-69.1	0	0	0	112.6	L66 L70 I290 F386 Y387 K388 F394	L66-F390 HydrophobicContact CB-CE1 4Å; L66-F390 HydrophobicContact CB-CZ 4.2Å; L66-F390 HydrophobicContact CD1-CE1 4.45Å; L66-F390 HydrophobicContact CD2-CZ 4.27Å; L70-F390 HydrophobicContact CD1-CE1 3.67Å; L70-F390 HydrophobicContact CD1-CE2 4.26Å; L70-F390 HydrophobicContact CD1-CZ 3.43Å; L70-F390 VanDerWaalsContact CD1-CZ 3.43Å; L70-F390 HydrophobicContact CG-CZ 4.27Å; I290-F390 HydrophobicContact CG2-CB 3.93Å; I290-F390 HydrophobicContact CG2-CD1 3.65Å; I290-F390 HydrophobicContact CG2-CD2 4.07Å; I290-F390 HydrophobicContact CG2-CE1 4.17Å; I290-F390 HydrophobicContact CG2-CG 3.6Å; F386-F390 HydrophobicContact CE2-CE2 4.3Å; F386-F390 HydrophobicContact CZ-CE2 4.32Å; F386-F390 VanDerWaalsContact O-CD2 3.32Å; F386-F390 WeakPolarHBondContact O-CD2 3.3Å; F386-F390 WeakPolarHBondContact O-CE2 3.38Å; Y387-F390 CarbonylContact O-C 3.54Å; Y387-F390 WeakPolarHBondContact O-CA 3.49Å; Y387-F390 WeakPolarHBondContact O-CB 3.44Å; Y387-F390 PolarHBondContact O-N 2.83Å; K388-F390 PolarHBondContact O-N 3.03Å; F390-F394 VanDerWaalsContact O-CB 3.28Å; F390-F394 WeakPolarHBondContact O-CB 3.26Å; F390-F394 PolarHBondContact O-N 3.42Å
391	N	98.1	Very high	96.9	Very high	3 Å²	3	52.5 Å²	52.5	2%	0.016	26%	0.261	C	S	.	.	H	α-helix	trans	-67.9	-49.4	171.5	-68.8	-14.6	0	0	0	110.3	P245 Y387 K388 P389 M393 F394 Y395 W404 E405	P245-N391 WeakPolarHBondContact CG-OD1 3.38Å; Y387-N391 PolarHBondContact O-N 2.88Å; K388-N391 PolarHBondContact O-N 2.75Å; P389-N391 VanDerWaalsContact C-N 3.35Å; N391-M393 VanDerWaalsContact C-N 3.35Å; N391-M393 PolarHBondContact O-N 3.21Å; N391-F394 PolarHBondContact O-N 3.25Å; N391-F394 VanDerWaalsContact O-N 3.12Å; N391-Y395 HydrophobicContact CB-CE1 4.45Å; N391-Y395 HydrophobicContact CB-CE2 4.27Å; N391-Y395 VanDerWaalsContact O-CD1 3.24Å; N391-Y395 WeakPolarHBondContact O-CD1 3.48Å; N391-Y395 WeakPolarHBondContact O-CD2 3.33Å; N391-Y395 PolarHBondContact O-N 2.86Å; N391-W404 HydrophobicContact CB-CE3 4.39Å; N391-E405 WeakPolarHBondContact CB-OE1 3.29Å; N391-E405 PolarHBondContact ND2-OE1 3.07Å
392	M	97.6	Very high	97	Very high	103 Å²	103	45.7 Å²	45.7	51%	0.507	24%	0.236	S	C	.	.	H	α-helix	trans	-58.4	-45.5	175.7	-66.2	-55.8	-60.7	0	0	111.9	K388 P389 F394 Y395 Q396	K388-M392 WeakPolarHBondContact O-CG 3.27Å; K388-M392 PolarHBondContact O-N 2.81Å; P389-M392 PolarHBondContact O-N 3.34Å; M392-F394 VanDerWaalsContact C-N 3.34Å; M392-F394 PolarHBondContact O-N 2.91Å; M392-Y395 PolarHBondContact O-N 3.33Å; M392-Y395 HydrophobicContact SD-CD2 4.04Å; M392-Y395 HydrophobicContact SD-CE2 4.3Å; M392-Q396 WeakPolarHBondContact O-CB 3.48Å; M392-Q396 PolarHBondContact O-N 3.18Å
393	M	97.8	Very high	97	Very high	19 Å²	19	47.3 Å²	47.3	9%	0.094	25%	0.247	C	C	.	.	H	α-helix	trans	-56.7	-46.5	173.2	-166.3	-176.5	-177.9	0	0	111.6	F63 A292 E296 P389 N391 Y395 Q396 M397	F63-M393 HydrophobicContact CB-CE 3.87Å; F63-M393 HydrophobicContact CB-SD 3.96Å; F63-M393 HydrophobicContact CD1-CB 4.05Å; F63-M393 HydrophobicContact CD1-CG 4Å; F63-M393 HydrophobicContact CD1-SD 3.76Å; F63-M393 HydrophobicContact CD2-CE 4.22Å; F63-M393 HydrophobicContact CD2-CG 3.92Å; F63-M393 HydrophobicContact CD2-SD 4.17Å; F63-M393 HydrophobicContact CE1-CB 3.62Å; F63-M393 HydrophobicContact CE1-CG 3.99Å; F63-M393 HydrophobicContact CE1-SD 4.32Å; F63-M393 HydrophobicContact CE2-CB 4.11Å; F63-M393 HydrophobicContact CE2-CG 3.87Å; F63-M393 HydrophobicContact CG-CE 4.03Å; F63-M393 HydrophobicContact CG-CG 3.99Å; F63-M393 HydrophobicContact CG-SD 3.7Å; F63-M393 HydrophobicContact CZ-CB 3.65Å; F63-M393 HydrophobicContact CZ-CG 3.92Å; A292-M393 HydrophobicContact CB-CB 4.02Å; A292-M393 HydrophobicContact CB-CG 3.86Å; A292-M393 HydrophobicContact CB-SD 3.64Å; E296-M393 WeakPolarHBondContact OE1-CE 3.3Å; P389-M393 WeakPolarHBondContact O-CB 3.48Å; P389-M393 PolarHBondContact O-N 3.37Å; N391-M393 VanDerWaalsContact C-N 3.35Å; N391-M393 PolarHBondContact O-N 3.21Å; M393-Y395 PolarHBondContact O-N 3.41Å; M393-Q396 PolarHBondContact O-N 3.27Å; M393-M397 HydrophobicContact CE-SD 4.25Å; M393-M397 HydrophobicContact CG-SD 4.06Å; M393-M397 WeakPolarHBondContact O-CB 3.3Å; M393-M397 WeakPolarHBondContact O-CG 3.36Å; M393-M397 PolarHBondContact O-N 3.29Å
394	F	98.5	Very high	96.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-65	-36.8	178.6	-177	-104.4	0	0	0	112.7	V242 Y291 A292 L295 F309 F390 N391 M392 M397 T398 F402 W404	V242-F394 HydrophobicContact CG1-CE1 4.01Å; V242-F394 HydrophobicContact CG1-CZ 3.72Å; V242-F394 HydrophobicContact CG2-CE1 4.37Å; Y291-F394 HydrophobicContact CD2-CD1 4.37Å; Y291-F394 HydrophobicContact CD2-CE1 4.4Å; A292-F394 HydrophobicContact CB-CB 4.29Å; L295-F394 HydrophobicContact CB-CE2 4.5Å; L295-F394 HydrophobicContact CD2-CD2 3.97Å; L295-F394 HydrophobicContact CD2-CE2 3.83Å; F309-F394 HydrophobicContact CD1-CE2 4.24Å; F309-F394 AromaticContact CD1-CZ 3.71Å; F309-F394 HydrophobicContact CD1-CZ 3.71Å; F309-F394 HydrophobicContact CE1-CE2 4.15Å; F309-F394 HydrophobicContact CE1-CZ 4.09Å; F309-F394 HydrophobicContact CG-CZ 4.44Å; F390-F394 VanDerWaalsContact O-CB 3.28Å; F390-F394 WeakPolarHBondContact O-CB 3.26Å; F390-F394 PolarHBondContact O-N 3.42Å; N391-F394 PolarHBondContact O-N 3.25Å; N391-F394 VanDerWaalsContact O-N 3.12Å; M392-F394 VanDerWaalsContact C-N 3.34Å; M392-F394 PolarHBondContact O-N 2.91Å; F394-M397 PolarHBondContact O-N 2.89Å; F394-T398 HydrophobicContact CD1-CG2 4.45Å; F394-T398 HydrophobicContact CD2-CG2 4.11Å; F394-T398 HydrophobicContact CE1-CG2 4.07Å; F394-T398 HydrophobicContact CE2-CG2 3.71Å; F394-T398 HydrophobicContact CG-CG2 4.46Å; F394-T398 HydrophobicContact CZ-CG2 3.68Å; F394-T398 WeakPolarHBondContact O-CB 3.5Å; F394-T398 WeakPolarHBondContact O-CG2 3.34Å; F394-T398 PolarHBondContact O-N 3.27Å; F394-T398 PolarHBondContact O-OG1 3.15Å; F394-F402 HydrophobicContact CD1-CD2 4.4Å; F394-F402 HydrophobicContact CD1-CE2 4.29Å; F394-F402 HydrophobicContact CE1-CD2 4.12Å; F394-F402 AromaticContact CE1-CE2 3.69Å; F394-F402 HydrophobicContact CE1-CE2 3.69Å; F394-F402 HydrophobicContact CE1-CZ 4.29Å; F394-W404 HydrophobicContact CD1-CH2 4.13Å; F394-W404 HydrophobicContact CD1-CZ3 4.24Å; F394-W404 HydrophobicContact CE1-CH2 4.08Å
395	Y	98.3	Very high	96.4	Very high	17 Å²	17	47.9 Å²	47.9	7%	0.067	25%	0.249	C	C	.	.	H	α-helix	trans	-66.3	-40.6	175.4	-56.2	-20.2	0	0	0	111.6	N391 M392 M393 G399 Q400 N401 F402 W404	N391-Y395 HydrophobicContact CB-CE1 4.45Å; N391-Y395 HydrophobicContact CB-CE2 4.27Å; N391-Y395 VanDerWaalsContact O-CD1 3.24Å; N391-Y395 WeakPolarHBondContact O-CD1 3.48Å; N391-Y395 WeakPolarHBondContact O-CD2 3.33Å; N391-Y395 PolarHBondContact O-N 2.86Å; M392-Y395 PolarHBondContact O-N 3.33Å; M392-Y395 HydrophobicContact SD-CD2 4.04Å; M392-Y395 HydrophobicContact SD-CE2 4.3Å; M393-Y395 PolarHBondContact O-N 3.41Å; Y395-G399 WeakPolarHBondContact O-CA 3.44Å; Y395-G399 PolarHBondContact O-N 3.48Å; Y395-Q400 WeakPolarHBondContact CA-O 3.48Å; Y395-Q400 WeakPolarHBondContact CD1-O 3.42Å; Y395-Q400 PolarHBondContact O-N 2.89Å; Y395-N401 VanDerWaalsContact CE2-OD1 3.27Å; Y395-N401 WeakPolarHBondContact CE2-OD1 3.48Å; Y395-F402 AromaticContact CD1-CD2 3.76Å; Y395-F402 HydrophobicContact CD1-CD2 3.76Å; Y395-F402 HydrophobicContact CE1-CB 3.76Å; Y395-F402 AromaticContact CE1-CD2 3.74Å; Y395-F402 HydrophobicContact CE1-CD2 3.74Å; Y395-F402 HydrophobicContact CE1-CG 4.23Å; Y395-W404 HydrophobicContact CE1-CD2 4.39Å; Y395-W404 AromaticContact CE1-CE3 3.77Å; Y395-W404 HydrophobicContact CE1-CE3 3.77Å; Y395-W404 HydrophobicContact CE1-CH2 4.36Å; Y395-W404 AromaticContact CE1-CZ3 3.76Å; Y395-W404 HydrophobicContact CE1-CZ3 3.76Å; Y395-W404 AromaticContact CZ-CE3 3.9Å; Y395-W404 WeakPolarHBondContact OH-CB 3.43Å; Y395-W404 PolarHBondContact OH-N 2.88Å
396	Q	97.8	Very high	95.2	Very high	85 Å²	85	44.8 Å²	44.8	40%	0.397	24%	0.24	S	C	.	.	H	α-helix	trans	-64.5	-46.4	175.1	-171.7	172.3	21.9	0	0	111.6	E59 M392 M393 T398	E59-Q396 PolarHBondContact OE2-NE2 3.34Å; M392-Q396 WeakPolarHBondContact O-CB 3.48Å; M392-Q396 PolarHBondContact O-N 3.18Å; M393-Q396 PolarHBondContact O-N 3.27Å; Q396-T398 VanDerWaalsContact C-N 3.34Å; Q396-T398 PolarHBondContact O-N 2.91Å
397	M	97.9	Very high	93.5	Very high	35 Å²	35	47 Å²	47	17%	0.172	25%	0.251	C	S	.	.	H	α-helix	trans	-64.7	-32.7	177.3	-69.3	171.8	82.2	0	0	113.7	A292 L295 E296 M299 L304 M393 F394	A292-M397 HydrophobicContact CB-SD 3.7Å; L295-M397 HydrophobicContact CB-CE 4.05Å; L295-M397 HydrophobicContact CD2-CB 3.88Å; L295-M397 HydrophobicContact CD2-CE 3.93Å; L295-M397 HydrophobicContact CD2-SD 4.35Å; L295-M397 HydrophobicContact CG-CE 3.82Å; E296-M397 HydrophobicContact CG-CE 3.82Å; M299-M397 HydrophobicContact SD-CE 3.73Å; L304-M397 WeakPolarHBondContact CD1-O 3.28Å; M393-M397 HydrophobicContact CE-SD 4.25Å; M393-M397 HydrophobicContact CG-SD 4.06Å; M393-M397 WeakPolarHBondContact O-CB 3.3Å; M393-M397 WeakPolarHBondContact O-CG 3.36Å; M393-M397 PolarHBondContact O-N 3.29Å; F394-M397 PolarHBondContact O-N 2.89Å
398	T	97.6	Very high	91.3	Very high	25 Å²	25	49.8 Å²	49.8	15%	0.153	26%	0.264	C	S	.	.	H	α-helix	trans	-97	-11.7	-177	56.9	0	0	0	0	114	L295 F309 F394 Q396 Q400	L295-T398 HydrophobicContact CD2-CG2 3.77Å; F309-T398 HydrophobicContact CD1-CG2 3.95Å; F309-T398 HydrophobicContact CD2-CG2 3.69Å; F309-T398 HydrophobicContact CE1-CG2 3.88Å; F309-T398 HydrophobicContact CE2-CG2 3.63Å; F309-T398 HydrophobicContact CG-CG2 3.87Å; F309-T398 HydrophobicContact CZ-CG2 3.73Å; F394-T398 HydrophobicContact CD1-CG2 4.45Å; F394-T398 HydrophobicContact CD2-CG2 4.11Å; F394-T398 HydrophobicContact CE1-CG2 4.07Å; F394-T398 HydrophobicContact CE2-CG2 3.71Å; F394-T398 HydrophobicContact CG-CG2 4.46Å; F394-T398 HydrophobicContact CZ-CG2 3.68Å; F394-T398 WeakPolarHBondContact O-CB 3.5Å; F394-T398 WeakPolarHBondContact O-CG2 3.34Å; F394-T398 PolarHBondContact O-N 3.27Å; F394-T398 PolarHBondContact O-OG1 3.15Å; Q396-T398 VanDerWaalsContact C-N 3.34Å; Q396-T398 PolarHBondContact O-N 2.91Å; T398-Q400 PolarHBondContact O-N 3.02Å; T398-Q400 PolarHBondContact OG1-N 2.76Å; T398-Q400 PolarHBondContact OG1-O 2.89Å
399	G	97.3	Very high	88.8	Confident	76 Å²	76	50.4 Å²	50.4	78%	0.784	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	13.1	-170.1	0	0	0	0	0	113.9	Y395	Y395-G399 WeakPolarHBondContact O-CA 3.44Å; Y395-G399 PolarHBondContact O-N 3.48Å
400	Q	96.4	Very high	86.1	Confident	51 Å²	51	52 Å²	52	24%	0.238	28%	0.283	C	S	.	.			trans	-131.8	118.4	-172.1	-177.4	174.7	-17.9	0	0	111.3	F309 Y395 T398 F402	F309-Q400 PolarHBondContact O-OE1 2.78Å; Y395-Q400 WeakPolarHBondContact CA-O 3.48Å; Y395-Q400 WeakPolarHBondContact CD1-O 3.42Å; Y395-Q400 PolarHBondContact O-N 2.89Å; T398-Q400 PolarHBondContact O-N 3.02Å; T398-Q400 PolarHBondContact OG1-N 2.76Å; T398-Q400 PolarHBondContact OG1-O 2.89Å; Q400-F402 HydrophobicContact CB-CE2 3.8Å; Q400-F402 HydrophobicContact CB-CZ 4.15Å; Q400-F402 HydrophobicContact CG-CD2 4.16Å; Q400-F402 HydrophobicContact CG-CE1 4.27Å; Q400-F402 HydrophobicContact CG-CE2 3.61Å; Q400-F402 HydrophobicContact CG-CZ 3.66Å; Q400-F402 VanDerWaalsContact O-CD2 3.22Å; Q400-F402 WeakPolarHBondContact O-CD2 3.49Å; Q400-F402 VanDerWaalsContact O-CE2 3.3Å; Q400-F402 WeakPolarHBondContact O-CE2 3.46Å
401	N	96.8	Very high	83.5	Confident	99 Å²	99	56 Å²	56	53%	0.529	31%	0.308	S	S	.	.			trans	-76.8	136.1	167.2	-170.3	-2.6	0	0	0	109.6	Y395 E403	Y395-N401 VanDerWaalsContact CE2-OD1 3.27Å; Y395-N401 WeakPolarHBondContact CE2-OD1 3.48Å; N401-E403 PolarHBondContact OD1-N 3.45Å
402	F	96.1	Very high	80.6	Confident	14 Å²	14	58.5 Å²	58.5	6%	0.061	33%	0.326	C	S	.	.			trans	-112	6.1	175.8	-64.6	-99.8	0	0	0	113.2	V242 F309 F394 Y395 Q400 W404	V242-F402 HydrophobicContact CG2-CD1 3.64Å; V242-F402 HydrophobicContact CG2-CE1 3.29Å; V242-F402 HydrophobicContact CG2-CE2 4.4Å; V242-F402 HydrophobicContact CG2-CG 4.34Å; V242-F402 HydrophobicContact CG2-CZ 3.74Å; F309-F402 HydrophobicContact CB-CZ 3.71Å; F394-F402 HydrophobicContact CD1-CD2 4.4Å; F394-F402 HydrophobicContact CD1-CE2 4.29Å; F394-F402 HydrophobicContact CE1-CD2 4.12Å; F394-F402 AromaticContact CE1-CE2 3.69Å; F394-F402 HydrophobicContact CE1-CE2 3.69Å; F394-F402 HydrophobicContact CE1-CZ 4.29Å; Y395-F402 AromaticContact CD1-CD2 3.76Å; Y395-F402 HydrophobicContact CD1-CD2 3.76Å; Y395-F402 HydrophobicContact CE1-CB 3.76Å; Y395-F402 AromaticContact CE1-CD2 3.74Å; Y395-F402 HydrophobicContact CE1-CD2 3.74Å; Y395-F402 HydrophobicContact CE1-CG 4.23Å; Q400-F402 HydrophobicContact CB-CE2 3.8Å; Q400-F402 HydrophobicContact CB-CZ 4.15Å; Q400-F402 HydrophobicContact CG-CD2 4.16Å; Q400-F402 HydrophobicContact CG-CE1 4.27Å; Q400-F402 HydrophobicContact CG-CE2 3.61Å; Q400-F402 HydrophobicContact CG-CZ 3.66Å; Q400-F402 VanDerWaalsContact O-CD2 3.22Å; Q400-F402 WeakPolarHBondContact O-CD2 3.49Å; Q400-F402 VanDerWaalsContact O-CE2 3.3Å; Q400-F402 WeakPolarHBondContact O-CE2 3.46Å; F402-W404 HydrophobicContact CB-CD2 3.85Å; F402-W404 HydrophobicContact CB-CE3 4.38Å; F402-W404 HydrophobicContact CB-CG 4.35Å; F402-W404 HydrophobicContact CB-CH2 4.01Å; F402-W404 HydrophobicContact CB-CZ2 3.45Å; F402-W404 VanDerWaalsContact CB-CZ2 3.45Å; F402-W404 HydrophobicContact CB-CZ3 4.46Å; F402-W404 AromaticContact CD1-CZ2 3.93Å; F402-W404 HydrophobicContact CD1-CZ2 3.93Å; F402-W404 HydrophobicContact CD2-CH2 4.25Å; F402-W404 HydrophobicContact CD2-CZ2 4.33Å; F402-W404 HydrophobicContact CG-CH2 4.03Å; F402-W404 AromaticContact CG-CZ2 3.65Å; F402-W404 HydrophobicContact CG-CZ2 3.65Å; F402-W404 PolarHBondContact O-N 2.97Å; F402-W404 PolarHBondContact O-NE1 3.4Å
403	E	94.4	Very high	77.7	Confident	119 Å²	119	62 Å²	62	56%	0.556	33%	0.334	S	S	*	.			trans	63.5	9.6	166.6	-61.3	175.3	168.7	0	0	116	N401 E405 L406	N401-E403 PolarHBondContact OD1-N 3.45Å; E403-E405 PolarHBondContact O-N 3.33Å; E403-L406 HydrophobicContact CB-CD1 4.17Å; E403-L406 HydrophobicContact CG-CD1 4.21Å; E403-L406 PolarHBondContact O-N 3.45Å
404	W	95.1	Very high	74.8	Confident	2 Å²	2	65.1 Å²	65.1	1%	0.008	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-10	-179.4	-52.7	-36.1	0	0	0	115.6	V242 R243 N244 P245 Y291 E313 N391 F394 Y395 F402	V242-W404 HydrophobicContact CB-CH2 3.95Å; V242-W404 HydrophobicContact CB-CZ2 3.92Å; V242-W404 HydrophobicContact CG2-CH2 4Å; V242-W404 HydrophobicContact CG2-CZ2 3.76Å; R243-W404 VanDerWaalsContact C-CE2 3.5Å; N244-W404 HydrophobicContact CB-CB 4.05Å; N244-W404 HydrophobicContact CB-CD2 4.39Å; N244-W404 HydrophobicContact CB-CG 3.76Å; N244-W404 VanDerWaalsContact N-NE1 3.17Å; P245-W404 HydrophobicContact CG-CE3 4.31Å; P245-W404 HydrophobicContact CG-CZ3 4.38Å; Y291-W404 AromaticContact CD2-CH2 3.69Å; Y291-W404 HydrophobicContact CD2-CH2 3.69Å; Y291-W404 AromaticContact CD2-CZ3 3.8Å; Y291-W404 HydrophobicContact CD2-CZ3 3.8Å; Y291-W404 AromaticContact CE2-CH2 3.48Å; Y291-W404 HydrophobicContact CE2-CH2 3.48Å; Y291-W404 VanDerWaalsContact CE2-CH2 3.48Å; Y291-W404 HydrophobicContact CE2-CZ2 4.27Å; Y291-W404 AromaticContact CE2-CZ3 3.7Å; Y291-W404 HydrophobicContact CE2-CZ3 3.7Å; E313-W404 PolarHBondContact OE2-NE1 3.42Å; N391-W404 HydrophobicContact CB-CE3 4.39Å; F394-W404 HydrophobicContact CD1-CH2 4.13Å; F394-W404 HydrophobicContact CD1-CZ3 4.24Å; F394-W404 HydrophobicContact CE1-CH2 4.08Å; Y395-W404 HydrophobicContact CE1-CD2 4.39Å; Y395-W404 AromaticContact CE1-CE3 3.77Å; Y395-W404 HydrophobicContact CE1-CE3 3.77Å; Y395-W404 HydrophobicContact CE1-CH2 4.36Å; Y395-W404 AromaticContact CE1-CZ3 3.76Å; Y395-W404 HydrophobicContact CE1-CZ3 3.76Å; Y395-W404 AromaticContact CZ-CE3 3.9Å; Y395-W404 WeakPolarHBondContact OH-CB 3.43Å; Y395-W404 PolarHBondContact OH-N 2.88Å; F402-W404 HydrophobicContact CB-CD2 3.85Å; F402-W404 HydrophobicContact CB-CE3 4.38Å; F402-W404 HydrophobicContact CB-CG 4.35Å; F402-W404 HydrophobicContact CB-CH2 4.01Å; F402-W404 HydrophobicContact CB-CZ2 3.45Å; F402-W404 VanDerWaalsContact CB-CZ2 3.45Å; F402-W404 HydrophobicContact CB-CZ3 4.46Å; F402-W404 AromaticContact CD1-CZ2 3.93Å; F402-W404 HydrophobicContact CD1-CZ2 3.93Å; F402-W404 HydrophobicContact CD2-CH2 4.25Å; F402-W404 HydrophobicContact CD2-CZ2 4.33Å; F402-W404 HydrophobicContact CG-CH2 4.03Å; F402-W404 AromaticContact CG-CZ2 3.65Å; F402-W404 HydrophobicContact CG-CZ2 3.65Å; F402-W404 PolarHBondContact O-N 2.97Å; F402-W404 PolarHBondContact O-NE1 3.4Å
405	E	85.7	Confident	71.8	Confident	25 Å²	25	69.5 Å²	69.5	12%	0.117	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-25.9	175.5	-53.9	-56.3	140	0	0	112.6	K388 N391 E403 E407 E408	K388-E405 WeakPolarHBondContact CE-OE2 3.35Å; K388-E405 VanDerWaalsContact CG-OE2 3.24Å; K388-E405 WeakPolarHBondContact CG-OE2 3.24Å; K388-E405 IonicContact NZ-OE2 2.67Å; K388-E405 PolarHBondContact NZ-OE2 2.86Å; N391-E405 WeakPolarHBondContact CB-OE1 3.29Å; N391-E405 PolarHBondContact ND2-OE1 3.07Å; E403-E405 PolarHBondContact O-N 3.33Å; E405-E407 VanDerWaalsContact C-N 3.26Å; E405-E407 PolarHBondContact O-N 2.94Å; E405-E408 PolarHBondContact O-N 2.89Å
406	L	68.6	Low	68.8	Low	103 Å²	103	76.8 Å²	76.8	54%	0.539	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-14.2	-177.5	-61.8	-180	0	0	0	112.9	E403 E408 D409	E403-L406 HydrophobicContact CB-CD1 4.17Å; E403-L406 HydrophobicContact CG-CD1 4.21Å; E403-L406 PolarHBondContact O-N 3.45Å; L406-E408 PolarHBondContact O-N 2.93Å; L406-D409 PolarHBondContact O-N 2.94Å
407	E	59.7	Low	65.6	Low	82 Å²	82	82.9 Å²	82.9	38%	0.383	46%	0.458	S	S	.	.	H	α-helix	trans	-62.6	-27.8	173.9	-64.6	-174.9	131.1	0	0	111.6	N244 E405 S410	N244-E407 PolarHBondContact ND2-OE2 3.23Å; E405-E407 VanDerWaalsContact C-N 3.26Å; E405-E407 PolarHBondContact O-N 2.94Å; E407-S410 PolarHBondContact O-OG 3.28Å
408	E	52.8	Low	64	Low	61 Å²	61	85.3 Å²	85.3	29%	0.285	47%	0.472	S	S	.	.	H	α-helix	trans	-63.5	-40.5	176.6	-63.9	-166.5	108.3	0	0	112.9	H384 K388 E405 L406 S410 S412	H384-E408 HydrophobicContact CB-CG 4.44Å; K388-E408 IonicContact NZ-OE2 2.95Å; K388-E408 PolarHBondContact NZ-OE2 3.43Å; E405-E408 PolarHBondContact O-N 2.89Å; L406-E408 PolarHBondContact O-N 2.93Å; E408-S410 VanDerWaalsContact C-N 3.32Å; E408-S410 PolarHBondContact O-N 3.48Å; E408-S412 WeakPolarHBondContact O-CB 3.35Å; E408-S412 PolarHBondContact O-N 3Å; E408-S412 PolarHBondContact O-OG 3.36Å
409	D	44.8	Very low	62.3	Low	89 Å²	89	88.5 Å²	88.5	48%	0.476	49%	0.489	S	S	.	.	H	α-helix	trans	-72.7	-24.2	-175.5	-74.8	-22.3	0	0	0	113.1	L406 S412 R413	L406-D409 PolarHBondContact O-N 2.94Å; D409-S412 WeakPolarHBondContact CA-OG 3.26Å; D409-S412 PolarHBondContact O-OG 3.38Å; D409-R413 WeakPolarHBondContact O-CD 3.25Å; D409-R413 WeakPolarHBondContact O-CG 3.34Å
410	S	39.7	Very low	60.3	Low	75 Å²	75	89.2 Å²	89.2	52%	0.524	47%	0.473	S	S	.	.	H	α-helix	trans	-74.8	-44.3	176.6	70.6	0	0	0	0	112.2	E407 E408 S414	E407-S410 PolarHBondContact O-OG 3.28Å; E408-S410 VanDerWaalsContact C-N 3.32Å; E408-S410 PolarHBondContact O-N 3.48Å; S410-S414 PolarHBondContact O-N 2.92Å
411	V	43	Very low	58.2	Low	93 Å²	93	91.4 Å²	91.4	56%	0.564	49%	0.486	S	S	*	.	H	α-helix	trans	-72.2	-42.6	-176.8	178.6	0	0	0	0	110.8	R413 S414 S415	V411-R413 VanDerWaalsContact C-N 3.35Å; V411-R413 PolarHBondContact O-N 3.02Å; V411-S414 WeakPolarHBondContact CA-OG 3.37Å; V411-S414 PolarHBondContact O-N 3.2Å; V411-S414 PolarHBondContact O-OG 2.81Å; V411-S415 PolarHBondContact O-N 3.24Å; V411-S415 PolarHBondContact O-OG 2.82Å
412	S	37.4	Very low	55.8	Low	56 Å²	56	90.9 Å²	90.9	39%	0.392	48%	0.484	S	S	.	.	H	α-helix	trans	-59.6	-41.9	179.4	49.2	0	0	0	0	112.7	E408 D409 S415	E408-S412 WeakPolarHBondContact O-CB 3.35Å; E408-S412 PolarHBondContact O-N 3Å; E408-S412 PolarHBondContact O-OG 3.36Å; D409-S412 WeakPolarHBondContact CA-OG 3.26Å; D409-S412 PolarHBondContact O-OG 3.38Å; S412-S415 PolarHBondContact O-N 2.99Å; S412-S415 PolarHBondContact O-OG 2.8Å
413	R	36.7	Very low	53.1	Low	176 Å²	176	96.1 Å²	96.1	66%	0.664	51%	0.512	S	S	*	.	H	α-helix	trans	-64.2	-45	173.6	-68.2	176.4	-170.3	-168	3.7	112.4	D409 V411 S415 Q416	D409-R413 WeakPolarHBondContact O-CD 3.25Å; D409-R413 WeakPolarHBondContact O-CG 3.34Å; V411-R413 VanDerWaalsContact C-N 3.35Å; V411-R413 PolarHBondContact O-N 3.02Å; R413-S415 PolarHBondContact O-N 3.34Å; R413-Q416 PolarHBondContact O-N 3.29Å
414	S	35.7	Very low	50.1	Low	85 Å²	85	94.4 Å²	94.4	59%	0.594	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	3.3	178.2	71.9	0	0	0	0	115.8	S410 V411	S410-S414 PolarHBondContact O-N 2.92Å; V411-S414 WeakPolarHBondContact CA-OG 3.37Å; V411-S414 PolarHBondContact O-N 3.2Å; V411-S414 PolarHBondContact O-OG 2.81Å
415	S	36.3	Very low	46.7	Very low	92 Å²	92	101.5 Å²	101.5	64%	0.643	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.9	17.7	175.4	55.7	0	0	0	0	113.3	V411 S412 R413	V411-S415 PolarHBondContact O-N 3.24Å; V411-S415 PolarHBondContact O-OG 2.82Å; S412-S415 PolarHBondContact O-N 2.99Å; S412-S415 PolarHBondContact O-OG 2.8Å; R413-S415 PolarHBondContact O-N 3.34Å
416	Q	35.3	Very low	43.4	Very low	169 Å²	169	107.9 Å²	107.9	79%	0.79	58%	0.583	S	S	*	*			trans	-126.1	-0.9	175.7	-63.5	-167.9	-48.1	0	0	114.2	R413	R413-Q416 PolarHBondContact O-N 3.29Å
417	D	31.5	Very low	41.2	Very low	214 Å²	214	108.4 Å²	108.4	100%	1.144	59%	0.587	S	S	*	*			trans	-105.7	0	174.8	-64.4	-39.8	0	0	0	111.3

Retrieved 417 of 417 residues in 172.4 ms (Link to these results)

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