A0A024CIM4_HUMAN Loading...

Carboxylic ester hydrolase

Esterase with broad substrate specificity. Contributes to the inactivation of the neurotransmitter acetylcholine. Can degrade neurotoxic organophosphate esters.

AlphaFold DB , UniProt , Accession A0A024CIM4, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 602 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	52.4	Low	62.1	Low	220 Å²	220	125.6 Å²	125.6	100%	1.084	64%	0.637	S	S	*	*				0	-18.1	0	-88.3	167	87.5	0	0	114.7
2	H	52.1	Low	63.2	Low	172 Å²	172	128.1 Å²	128.1	80%	0.796	64%	0.641	S	S	*	*	H	α-helix	trans	-74.2	-28.4	-176.3	-77.7	-31.7	0	0	0	116.9	T6	H2-T6 PolarHBondContact O-OG1 3.08Å; H2-T6 VanDerWaalsContact O-OG1 3.1Å
3	S	55.8	Low	64.1	Low	87 Å²	87	126.9 Å²	126.9	61%	0.608	64%	0.637	S	S	*	*	H	α-helix	trans	-74.9	-30.3	-175	177.4	0	0	0	0	114.5	I7	S3-I7 WeakPolarHBondContact O-CG1 3.43Å; S3-I7 PolarHBondContact O-N 2.92Å
4	K	54.5	Low	64.9	Low	171 Å²	171	127.5 Å²	127.5	74%	0.743	63%	0.634	S	S	*	*	H	α-helix	trans	-72.8	-32.5	179.2	-76	-173.6	176.3	-177.9	0	113	I8	K4-I8 WeakPolarHBondContact O-CD1 3.48Å; K4-I8 VanDerWaalsContact O-CG1 3.26Å; K4-I8 WeakPolarHBondContact O-CG1 3.37Å; K4-I8 PolarHBondContact O-N 2.99Å
5	V	59.8	Low	65.6	Low	88 Å²	88	133.3 Å²	133.3	53%	0.533	65%	0.646	S	S	.	*	H	α-helix	trans	-69.9	-40.2	-179.9	-179.8	0	0	0	0	110.8	I7 I8 C9	V5-I7 PolarHBondContact O-N 2.64Å; V5-I8 PolarHBondContact O-N 2.97Å; V5-C9 PolarHBondContact O-N 3.25Å
6	T	62.4	Low	66.2	Low	81 Å²	81	133.4 Å²	133.4	50%	0.497	64%	0.643	S	S	.	*	H	α-helix	trans	-64.9	-40.2	179.2	-40.2	0	0	0	0	112.3	H2 C9 I10	H2-T6 PolarHBondContact O-OG1 3.08Å; H2-T6 VanDerWaalsContact O-OG1 3.1Å; T6-C9 PolarHBondContact O-N 3.49Å; T6-I10 HydrophobicContact CG2-CD1 4.14Å; T6-I10 WeakPolarHBondContact O-CD1 3.27Å; T6-I10 VanDerWaalsContact O-CG1 3.26Å; T6-I10 WeakPolarHBondContact O-CG1 3.17Å; T6-I10 PolarHBondContact O-N 3.23Å
7	I	65.2	Low	66.5	Low	91 Å²	91	131.4 Å²	131.4	47%	0.467	64%	0.635	S	S	.	*	H	α-helix	trans	-68	-36.4	178.3	-65.7	169.2	0	0	0	111.3	S3 V5 R11	S3-I7 WeakPolarHBondContact O-CG1 3.43Å; S3-I7 PolarHBondContact O-N 2.92Å; V5-I7 PolarHBondContact O-N 2.64Å; I7-R11 WeakPolarHBondContact O-CG 3.21Å; I7-R11 PolarHBondContact O-N 2.69Å; I7-R11 VanDerWaalsContact O-N 3.1Å
8	I	69	Low	66.6	Low	107 Å²	107	128.3 Å²	128.3	55%	0.549	62%	0.622	S	S	.	*	H	α-helix	trans	-68.1	-43.9	176.2	-67.1	165.6	0	0	0	110.4	K4 V5 I10 R11 F12	K4-I8 WeakPolarHBondContact O-CD1 3.48Å; K4-I8 VanDerWaalsContact O-CG1 3.26Å; K4-I8 WeakPolarHBondContact O-CG1 3.37Å; K4-I8 PolarHBondContact O-N 2.99Å; V5-I8 PolarHBondContact O-N 2.97Å; I8-I10 PolarHBondContact O-N 3.41Å; I8-R11 PolarHBondContact O-N 3.3Å; I8-F12 WeakPolarHBondContact O-CB 3.5Å; I8-F12 PolarHBondContact O-N 3.13Å
9	C	66	Low	66.5	Low	70 Å²	70	126.8 Å²	126.8	47%	0.473	62%	0.617	S	S	.	*	H	α-helix	trans	-62.6	-40.2	176.7	-76.3	0	0	0	0	112.7	V5 T6 F12 L13	V5-C9 PolarHBondContact O-N 3.25Å; T6-C9 PolarHBondContact O-N 3.49Å; C9-F12 PolarHBondContact O-N 3.28Å; C9-L13 PolarHBondContact O-N 2.96Å
10	I	72	Confident	66.3	Low	108 Å²	108	123.6 Å²	123.6	55%	0.554	61%	0.607	S	S	*	*	H	α-helix	trans	-66.9	-40.9	177.8	-67.9	165.4	0	0	0	110.9	T6 I8 L13 F14	T6-I10 HydrophobicContact CG2-CD1 4.14Å; T6-I10 WeakPolarHBondContact O-CD1 3.27Å; T6-I10 VanDerWaalsContact O-CG1 3.26Å; T6-I10 WeakPolarHBondContact O-CG1 3.17Å; T6-I10 PolarHBondContact O-N 3.23Å; I8-I10 PolarHBondContact O-N 3.41Å; I10-L13 PolarHBondContact O-N 3.32Å; I10-F14 WeakPolarHBondContact O-CB 3.4Å; I10-F14 PolarHBondContact O-N 3.44Å
11	R	74.2	Confident	66	Low	187 Å²	187	124.9 Å²	124.9	71%	0.706	61%	0.613	S	S	*	*	H	α-helix	trans	-65.4	-38.1	175.3	-76.3	-176.1	174.1	-164.6	-1.8	112.4	I7 I8 F14 W15	I7-R11 WeakPolarHBondContact O-CG 3.21Å; I7-R11 PolarHBondContact O-N 2.69Å; I7-R11 VanDerWaalsContact O-N 3.1Å; I8-R11 PolarHBondContact O-N 3.3Å; R11-F14 PolarHBondContact O-N 3.39Å; R11-W15 WeakPolarHBondContact O-CB 3.47Å; R11-W15 PolarHBondContact O-N 2.79Å
12	F	75	Confident	66	Low	155 Å²	155	121 Å²	121	68%	0.68	60%	0.596	S	S	*	*	H	α-helix	trans	-66.5	-42.9	175.5	-125.8	-89.2	0	0	0	111.8	I8 C9 F14 W15 F16	I8-F12 WeakPolarHBondContact O-CB 3.5Å; I8-F12 PolarHBondContact O-N 3.13Å; C9-F12 PolarHBondContact O-N 3.28Å; F12-F14 VanDerWaalsContact C-N 3.32Å; F12-F14 PolarHBondContact O-N 3.49Å; F12-W15 PolarHBondContact O-N 3.31Å; F12-F16 VanDerWaalsContact O-CB 3.25Å; F12-F16 WeakPolarHBondContact O-CB 3.23Å; F12-F16 PolarHBondContact O-N 3.32Å
13	L	74.6	Confident	65.9	Low	113 Å²	113	118.6 Å²	118.6	59%	0.592	59%	0.588	S	S	*	*	H	α-helix	trans	-62.7	-40.9	175.3	-124.1	95.3	0	0	0	111.5	C9 I10 F16 L17	C9-L13 PolarHBondContact O-N 2.96Å; I10-L13 PolarHBondContact O-N 3.32Å; L13-F16 PolarHBondContact O-N 2.88Å; L13-L17 HydrophobicContact CD2-CD1 4.47Å; L13-L17 WeakPolarHBondContact O-CB 3.35Å; L13-L17 PolarHBondContact O-N 3.37Å
14	F	75.9	Confident	65.4	Low	135 Å²	135	116.8 Å²	116.8	59%	0.592	58%	0.583	S	S	*	*	H	α-helix	trans	-68	-41.2	179.7	-152.6	-93.9	0	0	0	111.8	I10 R11 F12 L17 L18	I10-F14 WeakPolarHBondContact O-CB 3.4Å; I10-F14 PolarHBondContact O-N 3.44Å; R11-F14 PolarHBondContact O-N 3.39Å; F12-F14 VanDerWaalsContact C-N 3.32Å; F12-F14 PolarHBondContact O-N 3.49Å; F14-L17 PolarHBondContact O-N 2.76Å; F14-L18 HydrophobicContact CD1-CD1 3.55Å; F14-L18 HydrophobicContact CE1-CD1 3.49Å; F14-L18 VanDerWaalsContact CE1-CD1 3.49Å; F14-L18 WeakPolarHBondContact O-CB 3.24Å; F14-L18 PolarHBondContact O-N 3.36Å
15	W	74.5	Confident	64.7	Low	215 Å²	215	117 Å²	117	81%	0.814	58%	0.584	S	S	*	*	H	α-helix	trans	-67.2	-37.5	172.6	-100.3	36.9	0	0	0	112.7	R11 F12 L18 L19	R11-W15 WeakPolarHBondContact O-CB 3.47Å; R11-W15 PolarHBondContact O-N 2.79Å; F12-W15 PolarHBondContact O-N 3.31Å; W15-L18 PolarHBondContact O-N 3.44Å; W15-L19 WeakPolarHBondContact O-CB 3.48Å; W15-L19 PolarHBondContact O-N 2.83Å
16	F	75.2	Confident	63.6	Low	135 Å²	135	117.7 Å²	117.7	59%	0.592	59%	0.592	S	S	*	*	H	α-helix	trans	-67.5	-40.1	175.7	-167	-96.8	0	0	0	111.7	F12 L13 L19 C20	F12-F16 VanDerWaalsContact O-CB 3.25Å; F12-F16 WeakPolarHBondContact O-CB 3.23Å; F12-F16 PolarHBondContact O-N 3.32Å; L13-F16 PolarHBondContact O-N 2.88Å; F16-L19 PolarHBondContact O-N 3.35Å; F16-C20 WeakPolarHBondContact O-CB 3.48Å; F16-C20 PolarHBondContact O-N 2.95Å; F16-C20 PolarHBondContact O-SG 3.32Å
17	L	71.1	Confident	62.5	Low	99 Å²	99	121.2 Å²	121.2	52%	0.518	60%	0.603	S	S	.	*	H	α-helix	trans	-65.9	-39.4	172.5	-86.9	154	0	0	0	112.2	L13 F14 C20 M21	L13-L17 HydrophobicContact CD2-CD1 4.47Å; L13-L17 WeakPolarHBondContact O-CB 3.35Å; L13-L17 PolarHBondContact O-N 3.37Å; F14-L17 PolarHBondContact O-N 2.76Å; L17-C20 PolarHBondContact O-N 3.13Å; L17-M21 WeakPolarHBondContact O-CG 3.47Å; L17-M21 PolarHBondContact O-N 2.96Å
18	L	68.3	Low	61.3	Low	76 Å²	76	121.8 Å²	121.8	40%	0.398	61%	0.611	S	S	.	*	H	α-helix	trans	-65.4	-39.7	172.7	-110.3	119.8	0	0	0	112.1	F14 W15 M21 L22	F14-L18 HydrophobicContact CD1-CD1 3.55Å; F14-L18 HydrophobicContact CE1-CD1 3.49Å; F14-L18 VanDerWaalsContact CE1-CD1 3.49Å; F14-L18 WeakPolarHBondContact O-CB 3.24Å; F14-L18 PolarHBondContact O-N 3.36Å; W15-L18 PolarHBondContact O-N 3.44Å; L18-M21 PolarHBondContact O-N 2.99Å; L18-L22 WeakPolarHBondContact O-CB 3.26Å; L18-L22 WeakPolarHBondContact O-CG 3.48Å; L18-L22 PolarHBondContact O-N 3.4Å
19	L	66.1	Low	60.4	Low	100 Å²	100	125.3 Å²	125.3	52%	0.524	63%	0.625	S	S	.	*	H	α-helix	trans	-65.6	-40.7	175.1	-153.5	85.4	0	0	0	110.8	W15 F16 M21 L22 I23	W15-L19 WeakPolarHBondContact O-CB 3.48Å; W15-L19 PolarHBondContact O-N 2.83Å; F16-L19 PolarHBondContact O-N 3.35Å; L19-M21 VanDerWaalsContact C-N 3.34Å; L19-M21 PolarHBondContact O-N 3.45Å; L19-L22 PolarHBondContact O-N 3.28Å; L19-I23 HydrophobicContact CD2-CD1 4.48Å; L19-I23 HydrophobicContact CG-CD1 4.4Å; L19-I23 WeakPolarHBondContact O-CD1 3.36Å; L19-I23 WeakPolarHBondContact O-CG1 3.3Å; L19-I23 PolarHBondContact O-N 2.68Å
20	C	61.7	Low	60.2	Low	62 Å²	62	128.6 Å²	128.6	42%	0.419	64%	0.638	S	S	.	*	H	α-helix	trans	-68.9	-27.5	174.2	-73.1	0	0	0	0	113.3	F16 L17 I23	F16-C20 WeakPolarHBondContact O-CB 3.48Å; F16-C20 PolarHBondContact O-N 2.95Å; F16-C20 PolarHBondContact O-SG 3.32Å; L17-C20 PolarHBondContact O-N 3.13Å; C20-I23 CarbonylContact O-C 3.46Å
21	M	59.5	Low	60.2	Low	151 Å²	151	128.1 Å²	128.1	74%	0.744	64%	0.636	S	S	*	*	H	α-helix	trans	-79	-27.4	170.6	-73.7	-149.5	-78.8	0	0	113	L17 L18 L19 G24	L17-M21 WeakPolarHBondContact O-CG 3.47Å; L17-M21 PolarHBondContact O-N 2.96Å; L18-M21 PolarHBondContact O-N 2.99Å; L19-M21 VanDerWaalsContact C-N 3.34Å; L19-M21 PolarHBondContact O-N 3.45Å; M21-G24 PolarHBondContact O-N 2.98Å
22	L	53.9	Low	61.1	Low	137 Å²	137	121 Å²	121	72%	0.717	61%	0.612	S	S	*	*	H	α-helix	trans	-78.2	-26.6	171.5	-76.2	161.6	0	0	0	112.4	L18 L19 G24	L18-L22 WeakPolarHBondContact O-CB 3.26Å; L18-L22 WeakPolarHBondContact O-CG 3.48Å; L18-L22 PolarHBondContact O-N 3.4Å; L19-L22 PolarHBondContact O-N 3.28Å; L22-G24 PolarHBondContact O-N 3.28Å; L22-G24 VanDerWaalsContact O-N 3.13Å
23	I	49.5	Very low	62.2	Low	122 Å²	122	116.6 Å²	116.6	63%	0.626	60%	0.595	S	S	*	*	S	Bend	trans	-83.3	45.2	161.8	-49.8	156.1	0	0	0	108.2	L19 C20 K25	L19-I23 HydrophobicContact CD2-CD1 4.48Å; L19-I23 HydrophobicContact CG-CD1 4.4Å; L19-I23 WeakPolarHBondContact O-CD1 3.36Å; L19-I23 WeakPolarHBondContact O-CG1 3.3Å; L19-I23 PolarHBondContact O-N 2.68Å; C20-I23 CarbonylContact O-C 3.46Å; I23-K25 PolarHBondContact O-N 2.72Å
24	G	44.5	Very low	63.3	Low	49 Å²	49	112 Å²	112	51%	0.505	57%	0.571	S	S	.	*			trans	-57.1	129.9	156.2	0	0	0	0	0	106.5	M21 L22 S26	M21-G24 PolarHBondContact O-N 2.98Å; L22-G24 PolarHBondContact O-N 3.28Å; L22-G24 VanDerWaalsContact O-N 3.13Å; G24-S26 PolarHBondContact O-N 3.1Å
25	K	40.5	Very low	64.3	Low	177 Å²	177	108.7 Å²	108.7	77%	0.77	57%	0.568	S	S	*	*			trans	-39.9	105.9	174.6	-78	175.3	175.2	176	0	108.6	I23 H27	I23-K25 PolarHBondContact O-N 2.72Å; K25-H27 PolarHBondContact O-N 3.21Å
26	S	37.1	Very low	65.5	Low	101 Å²	101	99.2 Å²	99.2	71%	0.706	54%	0.535	S	S	*	.			trans	-61.2	91.4	152.1	174.7	0	0	0	0	103.4	G24 T28	G24-S26 PolarHBondContact O-N 3.1Å; S26-T28 PolarHBondContact O-N 3.35Å
27	H	38.3	Very low	66.5	Low	156 Å²	156	99.7 Å²	99.7	72%	0.722	54%	0.536	S	S	*	.			trans	-61.1	93.3	153.8	-91.8	-71.2	0	0	0	103.1	K25 E29	K25-H27 PolarHBondContact O-N 3.21Å; H27-E29 PolarHBondContact O-N 2.95Å
28	T	40.8	Very low	67.7	Low	103 Å²	103	96.3 Å²	96.3	63%	0.632	52%	0.519	S	S	*	.			trans	-52.4	102	153.7	42.1	0	0	0	0	104	S26 D30	S26-T28 PolarHBondContact O-N 3.35Å; T28-D30 VanDerWaalsContact C-N 3.29Å; T28-D30 PolarHBondContact O-N 3.43Å
29	E	50.4	Low	69.1	Low	180 Å²	180	93.3 Å²	93.3	84%	0.841	51%	0.506	S	S	*	.			trans	-51.2	106.7	162.6	-124.3	176.5	174.6	0	0	104.1	H27 D31	H27-E29 PolarHBondContact O-N 2.95Å; E29-D31 PolarHBondContact O-N 3.38Å
30	D	59.9	Low	70.6	Confident	139 Å²	139	94 Å²	94	74%	0.743	51%	0.505	S	S	*	.			trans	-54	113.6	-179.5	-82.8	-32.4	0	0	0	106.8	T28 I32	T28-D30 VanDerWaalsContact C-N 3.29Å; T28-D30 PolarHBondContact O-N 3.43Å; D30-I32 VanDerWaalsContact O-CG1 3.3Å; D30-I32 WeakPolarHBondContact O-CG1 3.37Å; D30-I32 PolarHBondContact O-N 3.38Å
31	D	72.7	Confident	72.4	Confident	98 Å²	98	91 Å²	91	52%	0.524	49%	0.485	S	S	.	.			trans	-62.3	105.6	-168.9	-133.3	-3.8	0	0	0	108.4	E29 I33 R42	E29-D31 PolarHBondContact O-N 3.38Å; D31-I33 VanDerWaalsContact C-N 3.33Å; D31-I33 HydrophobicContact CB-CD1 3.95Å; D31-I33 HydrophobicContact CB-CG1 4.32Å; D31-I33 PolarHBondContact O-N 2.94Å; D31-R42 IonicContact OD1-CZ 2.78Å; D31-R42 IonicContact OD1-NE 2.81Å; D31-R42 PolarHBondContact OD1-NE 3.44Å; D31-R42 IonicContact OD1-NH2 3.9Å; D31-R42 PolarHBondContact OD1-NH2 3.48Å; D31-R42 IonicContact OD2-CZ 2.73Å; D31-R42 IonicContact OD2-NE 3.47Å; D31-R42 IonicContact OD2-NH2 3.4Å; D31-R42 PolarHBondContact OD2-NH2 3.17Å
32	I	93.3	Very high	74.2	Confident	39 Å²	39	86.7 Å²	86.7	20%	0.2	46%	0.46	C	S	.	.			trans	-79.6	83.2	-171	-50.9	168.6	0	0	0	110	D30 R42 G43 N45 T54 F56	D30-I32 VanDerWaalsContact O-CG1 3.3Å; D30-I32 WeakPolarHBondContact O-CG1 3.37Å; D30-I32 PolarHBondContact O-N 3.38Å; I32-R42 CarbonylContact O-C 3.52Å; I32-R42 VanDerWaalsContact O-CA 3.32Å; I32-R42 WeakPolarHBondContact O-CA 3.35Å; I32-G43 PolarHBondContact O-N 3.02Å; I32-N45 HydrophobicContact CD1-CB 4.15Å; I32-N45 WeakPolarHBondContact CD1-ND2 3.06Å; I32-N45 WeakPolarHBondContact CD1-OD1 3.42Å; I32-T54 HydrophobicContact CB-CG2 4.44Å; I32-T54 HydrophobicContact CD1-CG2 4Å; I32-T54 HydrophobicContact CG2-CG2 3.46Å; I32-T54 VanDerWaalsContact CG2-CG2 3.46Å; I32-F56 HydrophobicContact CG2-CZ 3.92Å
33	I	97.8	Very high	76.3	Confident	61 Å²	61	80.5 Å²	80.5	31%	0.313	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	129.2	-173.7	-60.8	167.4	0	0	0	111	D31 K40 V41 R42 I83	D31-I33 VanDerWaalsContact C-N 3.33Å; D31-I33 HydrophobicContact CB-CD1 3.95Å; D31-I33 HydrophobicContact CB-CG1 4.32Å; D31-I33 PolarHBondContact O-N 2.94Å; I33-K40 HydrophobicContact CG2-CB 3.96Å; I33-K40 HydrophobicContact CG2-CD 4.19Å; I33-K40 HydrophobicContact CG2-CG 4.24Å; I33-V41 CarbonylContact C-O 3.57Å; I33-V41 VanDerWaalsContact CA-O 3.31Å; I33-V41 WeakPolarHBondContact CA-O 3.04Å; I33-R42 HydrophobicContact CG1-CB 4.45Å; I33-I83 HydrophobicContact CD1-CD1 3.8Å
34	I	97.9	Very high	78.6	Confident	16 Å²	16	77.2 Å²	77.2	8%	0.082	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	131.5	172.7	-61.6	-65.3	0	0	0	109.5	K40 V41 F56 A212 F213	I34-K40 WeakPolarHBondContact O-CA 3.34Å; I34-V41 HydrophobicContact CB-CG2 3.99Å; I34-V41 PolarHBondContact N-O 2.97Å; I34-V41 PolarHBondContact O-N 2.97Å; I34-F56 HydrophobicContact CB-CE1 4.28Å; I34-F56 HydrophobicContact CB-CZ 4.3Å; I34-F56 HydrophobicContact CG1-CE1 3.91Å; I34-F56 HydrophobicContact CG1-CE2 4.28Å; I34-F56 HydrophobicContact CG1-CZ 3.46Å; I34-F56 VanDerWaalsContact CG1-CZ 3.46Å; I34-A212 HydrophobicContact CG2-CB 3.9Å; I34-F213 HydrophobicContact CB-CE1 4.08Å; I34-F213 HydrophobicContact CB-CZ 4.21Å; I34-F213 HydrophobicContact CG1-CD1 4.24Å; I34-F213 HydrophobicContact CG1-CE1 4.17Å; I34-F213 HydrophobicContact CG2-CD1 4.17Å; I34-F213 HydrophobicContact CG2-CD2 4.07Å; I34-F213 HydrophobicContact CG2-CE1 3.93Å; I34-F213 HydrophobicContact CG2-CE2 3.81Å; I34-F213 HydrophobicContact CG2-CG 4.24Å; I34-F213 HydrophobicContact CG2-CZ 3.74Å
35	A	98.1	Very high	81.2	Confident	66 Å²	66	79.3 Å²	79.3	55%	0.545	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	114.6	173.2	0	0	0	0	0	110.3	K40	A35-K40 HydrophobicContact CB-CG 4.47Å
36	T	98.3	Very high	83.9	Confident	17 Å²	17	72.9 Å²	72.9	10%	0.104	39%	0.386	C	S	.	.			trans	-91.1	175.2	169.9	77.5	0	0	0	0	109.9	N38 G39 V41 W205 N209 F213	T36-N38 PolarHBondContact O-N 2.88Å; T36-N38 PolarHBondContact OG1-N 3.34Å; T36-N38 VanDerWaalsContact OG1-N 3.17Å; T36-G39 WeakPolarHBondContact CB-O 3.47Å; T36-G39 PolarHBondContact N-O 3.47Å; T36-G39 PolarHBondContact OG1-N 3.24Å; T36-G39 PolarHBondContact OG1-O 3Å; T36-V41 HydrophobicContact CG2-CG1 4.11Å; T36-V41 HydrophobicContact CG2-CG2 4.11Å; T36-W205 HydrophobicContact CG2-CZ2 4.14Å; T36-N209 WeakPolarHBondContact CB-OD1 3.31Å; T36-F213 HydrophobicContact CG2-CE2 4.07Å; T36-F213 HydrophobicContact CG2-CZ 4.11Å
37	K	97.1	Very high	86.8	Confident	145 Å²	145	73.9 Å²	73.9	63%	0.63	39%	0.388	S	S	*	.	S	Bend	trans	-65.8	-24.6	172.2	-63.3	-61.5	-175.8	-178.1	0	112.8	K79 K208 N209	K37-K79 VanDerWaalsContact O-CE 3.25Å; K37-K79 WeakPolarHBondContact O-CE 3.22Å; K37-K208 HydrophobicContact CG-CB 4.48Å; K37-N209 WeakPolarHBondContact CG-OD1 3.35Å; K37-N209 PolarHBondContact N-OD1 3.17Å
38	N	96	Very high	89.6	Confident	28 Å²	28	66.7 Å²	66.7	15%	0.15	35%	0.354	C	S	.	.	S	Bend	trans	-95.5	-23	-176.3	-61.2	87.8	0	0	0	113	T36 L77 K79 W80	T36-N38 PolarHBondContact O-N 2.88Å; T36-N38 PolarHBondContact OG1-N 3.34Å; T36-N38 VanDerWaalsContact OG1-N 3.17Å; N38-L77 PolarHBondContact ND2-O 3.49Å; N38-K79 CarbonylContact O-C 3.52Å; N38-K79 WeakPolarHBondContact O-CA 3.47Å; N38-K79 WeakPolarHBondContact O-CB 3.24Å; N38-W80 HydrophobicContact CB-CE3 4.03Å; N38-W80 HydrophobicContact CB-CH2 3.88Å; N38-W80 HydrophobicContact CB-CZ3 3.51Å; N38-W80 PolarHBondContact O-N 3.5Å
39	G	97.1	Very high	92.3	Very high	13 Å²	13	65 Å²	65	13%	0.134	34%	0.338	C	S	.	.			trans	160.9	-178.3	179.9	0	0	0	0	0	112	T36	T36-G39 WeakPolarHBondContact CB-O 3.47Å; T36-G39 PolarHBondContact N-O 3.47Å; T36-G39 PolarHBondContact OG1-N 3.24Å; T36-G39 PolarHBondContact OG1-O 3Å
40	K	98.4	Very high	94.3	Very high	113 Å²	113	60.3 Å²	60.3	49%	0.491	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	141.9	178.2	-68.4	176.5	-178.2	176.4	0	110.3	I33 I34 A35 W80 I83 W84	I33-K40 HydrophobicContact CG2-CB 3.96Å; I33-K40 HydrophobicContact CG2-CD 4.19Å; I33-K40 HydrophobicContact CG2-CG 4.24Å; I34-K40 WeakPolarHBondContact O-CA 3.34Å; A35-K40 HydrophobicContact CB-CG 4.47Å; K40-W80 PolarHBondContact O-NE1 2.96Å; K40-I83 HydrophobicContact CB-CG1 4Å; K40-I83 HydrophobicContact CD-CG1 4.27Å; K40-W84 PolarHBondContact O-N 3.05Å
41	V	98.5	Very high	96.1	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	137.7	173	-60.9	0	0	0	0	110.1	I33 I34 T36 F56 I59 W80 W84 F213	I33-V41 CarbonylContact C-O 3.57Å; I33-V41 VanDerWaalsContact CA-O 3.31Å; I33-V41 WeakPolarHBondContact CA-O 3.04Å; I34-V41 HydrophobicContact CB-CG2 3.99Å; I34-V41 PolarHBondContact N-O 2.97Å; I34-V41 PolarHBondContact O-N 2.97Å; T36-V41 HydrophobicContact CG2-CG1 4.11Å; T36-V41 HydrophobicContact CG2-CG2 4.11Å; V41-F56 HydrophobicContact CB-CD1 4.25Å; V41-F56 HydrophobicContact CG2-CD1 3.67Å; V41-F56 HydrophobicContact CG2-CE1 3.87Å; V41-I59 HydrophobicContact CG1-CD1 4.42Å; V41-I59 HydrophobicContact CG1-CG1 4.36Å; V41-I59 HydrophobicContact CG1-CG2 4.09Å; V41-I59 HydrophobicContact CG2-CD1 4.38Å; V41-W80 HydrophobicContact CG1-CH2 4.48Å; V41-W80 HydrophobicContact CG1-CZ2 3.78Å; V41-W84 CarbonylContact C-O 3.6Å; V41-W84 WeakPolarHBondContact CA-O 3.36Å; V41-W84 HydrophobicContact CG1-CB 4.25Å; V41-F213 HydrophobicContact CG2-CE1 4.22Å; V41-F213 HydrophobicContact CG2-CZ 3.88Å
42	R	98.6	Very high	97.3	Very high	61 Å²	61	52.1 Å²	52.1	23%	0.23	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	127	172	176	-177.3	-73.6	122.8	-7.6	109.5	D31 I32 I33 I83 W84 N85 A86	D31-R42 IonicContact OD1-CZ 2.78Å; D31-R42 IonicContact OD1-NE 2.81Å; D31-R42 PolarHBondContact OD1-NE 3.44Å; D31-R42 IonicContact OD1-NH2 3.9Å; D31-R42 PolarHBondContact OD1-NH2 3.48Å; D31-R42 IonicContact OD2-CZ 2.73Å; D31-R42 IonicContact OD2-NE 3.47Å; D31-R42 IonicContact OD2-NH2 3.4Å; D31-R42 PolarHBondContact OD2-NH2 3.17Å; I32-R42 CarbonylContact O-C 3.52Å; I32-R42 VanDerWaalsContact O-CA 3.32Å; I32-R42 WeakPolarHBondContact O-CA 3.35Å; I33-R42 HydrophobicContact CG1-CB 4.45Å; R42-I83 HydrophobicContact CB-CG2 3.66Å; R42-W84 PolarHBondContact N-O 3.44Å; R42-N85 PolarHBondContact NH1-OD1 3.14Å; R42-A86 CarbonylContact O-C 3.56Å; R42-A86 WeakPolarHBondContact O-CA 3.35Å; R42-A86 WeakPolarHBondContact O-CB 3.32Å; R42-A86 PolarHBondContact O-N 3.11Å
43	G	98.2	Very high	97.5	Very high	7 Å²	7	50.3 Å²	50.3	7%	0.072	29%	0.291	C	S	.	.			trans	-102.3	-169.9	175.5	0	0	0	0	0	112.6	I32 A55 F56	I32-G43 PolarHBondContact O-N 3.02Å; G43-A55 CarbonylContact C-O 3.34Å; G43-A55 WeakPolarHBondContact CA-O 3.44Å; G43-F56 VanDerWaalsContact CA-CD1 3.45Å; G43-F56 VanDerWaalsContact N-CE1 3.26Å
44	M	97.9	Very high	97.6	Very high	53 Å²	53	48 Å²	48	26%	0.261	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	152.5	175.3	60	177.1	175	0	0	111.5	L46 T54 A55 L57 T87	M44-L46 HydrophobicContact CE-CD2 4.12Å; M44-L46 HydrophobicContact CG-CD2 4.43Å; M44-L46 HydrophobicContact SD-CD2 4.21Å; M44-T54 CarbonylContact O-C 3.59Å; M44-T54 VanDerWaalsContact O-CA 3.32Å; M44-T54 WeakPolarHBondContact O-CA 3.3Å; M44-A55 HydrophobicContact CE-CB 4.23Å; M44-A55 HydrophobicContact CG-CB 4.33Å; M44-A55 PolarHBondContact N-O 3.3Å; M44-A55 PolarHBondContact O-N 3.33Å; M44-L57 HydrophobicContact CE-CD1 3.32Å; M44-L57 HydrophobicContact CE-CG 3.89Å; M44-T87 HydrophobicContact CB-CG2 4.21Å
45	N	98.1	Very high	97.6	Very high	92 Å²	92	47.2 Å²	47.2	49%	0.492	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	137.3	172.7	-83.3	-24.6	0	0	0	111.1	I32 T52 T54	I32-N45 HydrophobicContact CD1-CB 4.15Å; I32-N45 WeakPolarHBondContact CD1-ND2 3.06Å; I32-N45 WeakPolarHBondContact CD1-OD1 3.42Å; N45-T52 HydrophobicContact CB-CG2 3.73Å; N45-T52 WeakPolarHBondContact OD1-CG2 3.31Å; N45-T54 PolarHBondContact OD1-OG1 3.49Å
46	L	98.1	Very high	97.6	Very high	43 Å²	43	44 Å²	44	23%	0.225	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	130.8	176.1	-58	178.4	0	0	0	109.1	M44 V48 T52 V53 A55 K159	M44-L46 HydrophobicContact CE-CD2 4.12Å; M44-L46 HydrophobicContact CG-CD2 4.43Å; M44-L46 HydrophobicContact SD-CD2 4.21Å; L46-V48 HydrophobicContact CB-CG2 4.22Å; L46-T52 CarbonylContact O-C 3.56Å; L46-T52 WeakPolarHBondContact O-CA 3.43Å; L46-V53 PolarHBondContact N-O 2.04Å; L46-V53 PolarHBondContact O-N 3.5Å; L46-A55 HydrophobicContact CD1-CB 3.69Å; L46-A55 HydrophobicContact CG-CB 4.21Å; L46-K159 HydrophobicContact CD1-CB 4.42Å; L46-K159 HydrophobicContact CD1-CD 4.48Å
47	T	97.8	Very high	97.7	Very high	122 Å²	122	43.6 Å²	43.6	75%	0.748	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-82.2	117.2	172.5	-59.4	0	0	0	0	109.6	G51	T47-G51 CarbonylContact C-O 3.45Å; T47-G51 WeakPolarHBondContact CA-O 3.43Å
48	V	97.7	Very high	97.8	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.024	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	117.6	-177.6	-169.8	0	0	0	0	109.4	L46 G50 G51 V53 K159 F160 R163	L46-V48 HydrophobicContact CB-CG2 4.22Å; V48-G50 VanDerWaalsContact C-N 3.33Å; V48-G50 PolarHBondContact O-N 3.19Å; V48-G51 PolarHBondContact N-O 3.36Å; V48-G51 CarbonylContact O-C 3.56Å; V48-G51 PolarHBondContact O-N 2.93Å; V48-V53 HydrophobicContact CB-CG2 4.32Å; V48-V53 HydrophobicContact CG2-CB 4.28Å; V48-V53 HydrophobicContact CG2-CG2 4.05Å; V48-K159 HydrophobicContact CG1-CG 4.36Å; V48-K159 HydrophobicContact CG2-CB 4.1Å; V48-K159 HydrophobicContact CG2-CD 3.93Å; V48-K159 HydrophobicContact CG2-CG 3.98Å; V48-F160 HydrophobicContact CG1-CD1 3.69Å; V48-F160 HydrophobicContact CG1-CE1 4.1Å; V48-R163 HydrophobicContact CB-CB 4.18Å; V48-R163 HydrophobicContact CB-CG 4Å; V48-R163 HydrophobicContact CG1-CB 3.9Å; V48-R163 HydrophobicContact CG1-CG 3.87Å; V48-R163 WeakPolarHBondContact O-CD 3.3Å; V48-R163 PolarHBondContact O-NE 3.01Å
49	F	96.1	Very high	97.9	Very high	67 Å²	67	35.6 Å²	35.6	29%	0.294	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.2	50.9	-179.8	-50.6	-36.7	0	0	0	113.4	G51 F160 R163 V164 L478 E479	F49-G51 PolarHBondContact O-N 3.23Å; F49-G51 VanDerWaalsContact O-N 3.1Å; F49-F160 HydrophobicContact CE1-CD1 4.18Å; F49-F160 HydrophobicContact CE1-CE1 4.08Å; F49-F160 HydrophobicContact CE2-CB 4.42Å; F49-F160 AromaticContact CE2-CD1 3.6Å; F49-F160 HydrophobicContact CE2-CD1 3.6Å; F49-F160 HydrophobicContact CE2-CE1 4.31Å; F49-F160 HydrophobicContact CE2-CG 4.42Å; F49-F160 AromaticContact CZ-CD1 3.32Å; F49-F160 HydrophobicContact CZ-CD1 3.32Å; F49-F160 AromaticContact CZ-CE1 3.61Å; F49-F160 HydrophobicContact CZ-CE1 3.61Å; F49-F160 HydrophobicContact CZ-CG 4.31Å; F49-R163 HydrophobicContact CD2-CG 4.24Å; F49-R163 PolarHBondContact O-NH2 3.02Å; F49-V164 HydrophobicContact CD2-CG2 3.96Å; F49-V164 HydrophobicContact CE2-CG2 3.92Å; F49-L478 WeakPolarHBondContact CE1-O 2.97Å; F49-L478 HydrophobicContact CE2-CB 3.78Å; F49-L478 HydrophobicContact CE2-CD1 4.39Å; F49-L478 HydrophobicContact CZ-CB 3.53Å; F49-E479 HydrophobicContact CE1-CB 4.13Å; F49-E479 HydrophobicContact CZ-CB 4.45Å
50	G	93.1	Very high	98	Very high	82 Å²	82	35.3 Å²	35.3	85%	0.845	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.7	5.8	-180	0	0	0	0	0	115.5	V48	V48-G50 VanDerWaalsContact C-N 3.33Å; V48-G50 PolarHBondContact O-N 3.19Å
51	G	96.6	Very high	98	Very high	15 Å²	15	30.2 Å²	30.2	16%	0.155	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	-169.9	171.7	0	0	0	0	0	111.6	T47 V48 F49	T47-G51 CarbonylContact C-O 3.45Å; T47-G51 WeakPolarHBondContact CA-O 3.43Å; V48-G51 PolarHBondContact N-O 3.36Å; V48-G51 CarbonylContact O-C 3.56Å; V48-G51 PolarHBondContact O-N 2.93Å; F49-G51 PolarHBondContact O-N 3.23Å; F49-G51 VanDerWaalsContact O-N 3.1Å
52	T	98.1	Very high	98	Very high	51 Å²	51	30.3 Å²	30.3	31%	0.313	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	143.1	-175	-52.8	0	0	0	0	111.6	N45 L46 A129	N45-T52 HydrophobicContact CB-CG2 3.73Å; N45-T52 WeakPolarHBondContact OD1-CG2 3.31Å; L46-T52 CarbonylContact O-C 3.56Å; L46-T52 WeakPolarHBondContact O-CA 3.43Å; T52-A129 HydrophobicContact CG2-CB 4.12Å; T52-A129 WeakPolarHBondContact O-CB 3.24Å; T52-A129 PolarHBondContact O-N 2.93Å; T52-A129 VanDerWaalsContact O-N 3.16Å
53	V	98.7	Very high	98	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	136.8	166.9	171.5	0	0	0	0	106.8	L46 V48 W126 I127 K159 A162 R163	L46-V53 PolarHBondContact N-O 2.04Å; L46-V53 PolarHBondContact O-N 3.5Å; V48-V53 HydrophobicContact CB-CG2 4.32Å; V48-V53 HydrophobicContact CG2-CB 4.28Å; V48-V53 HydrophobicContact CG2-CG2 4.05Å; V53-W126 HydrophobicContact CG1-CB 4.12Å; V53-I127 WeakPolarHBondContact CA-O 3.5Å; V53-I127 WeakPolarHBondContact CG1-O 3.44Å; V53-K159 HydrophobicContact CG1-CB 4.35Å; V53-A162 HydrophobicContact CG1-CB 4.26Å; V53-R163 HydrophobicContact CG2-CB 3.65Å; V53-R163 HydrophobicContact CG2-CG 4.44Å
54	T	98.8	Very high	98	Very high	12 Å²	12	32.3 Å²	32.3	7%	0.074	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	128.6	170.9	-54.2	0	0	0	0	108.4	I32 M44 N45 F56 I127	I32-T54 HydrophobicContact CB-CG2 4.44Å; I32-T54 HydrophobicContact CD1-CG2 4Å; I32-T54 HydrophobicContact CG2-CG2 3.46Å; I32-T54 VanDerWaalsContact CG2-CG2 3.46Å; M44-T54 CarbonylContact O-C 3.59Å; M44-T54 VanDerWaalsContact O-CA 3.32Å; M44-T54 WeakPolarHBondContact O-CA 3.3Å; N45-T54 PolarHBondContact OD1-OG1 3.49Å; T54-F56 HydrophobicContact CG2-CD2 4.28Å; T54-F56 HydrophobicContact CG2-CE2 3.54Å; T54-F56 HydrophobicContact CG2-CZ 3.87Å; T54-I127 HydrophobicContact CG2-CD1 4.22Å; T54-I127 HydrophobicContact CG2-CG1 4.23Å; T54-I127 PolarHBondContact N-O 2.99Å; T54-I127 WeakPolarHBondContact O-CG1 3.48Å; T54-I127 PolarHBondContact O-N 3.4Å
55	A	98.8	Very high	98	Very high	0 Å²	0	30 Å²	30	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	140	177.7	0	0	0	0	0	110.8	G43 M44 L46 L57 V125	G43-A55 CarbonylContact C-O 3.34Å; G43-A55 WeakPolarHBondContact CA-O 3.44Å; M44-A55 HydrophobicContact CE-CB 4.23Å; M44-A55 HydrophobicContact CG-CB 4.33Å; M44-A55 PolarHBondContact N-O 3.3Å; M44-A55 PolarHBondContact O-N 3.33Å; L46-A55 HydrophobicContact CD1-CB 3.69Å; L46-A55 HydrophobicContact CG-CB 4.21Å; A55-L57 HydrophobicContact CB-CD2 4.12Å; A55-L57 HydrophobicContact CB-CG 4.28Å; A55-V125 CarbonylContact C-O 3.48Å; A55-V125 WeakPolarHBondContact CA-O 3.24Å
56	F	98.9	Very high	98	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	103	168.2	-58.8	-99.8	0	0	0	107	I32 I34 V41 G43 T54 I59 A86 N124 V125 I127 F213	I32-F56 HydrophobicContact CG2-CZ 3.92Å; I34-F56 HydrophobicContact CB-CE1 4.28Å; I34-F56 HydrophobicContact CB-CZ 4.3Å; I34-F56 HydrophobicContact CG1-CE1 3.91Å; I34-F56 HydrophobicContact CG1-CE2 4.28Å; I34-F56 HydrophobicContact CG1-CZ 3.46Å; I34-F56 VanDerWaalsContact CG1-CZ 3.46Å; V41-F56 HydrophobicContact CB-CD1 4.25Å; V41-F56 HydrophobicContact CG2-CD1 3.67Å; V41-F56 HydrophobicContact CG2-CE1 3.87Å; G43-F56 VanDerWaalsContact CA-CD1 3.45Å; G43-F56 VanDerWaalsContact N-CE1 3.26Å; T54-F56 HydrophobicContact CG2-CD2 4.28Å; T54-F56 HydrophobicContact CG2-CE2 3.54Å; T54-F56 HydrophobicContact CG2-CZ 3.87Å; F56-I59 HydrophobicContact CB-CD1 3.75Å; F56-I59 HydrophobicContact CB-CG1 4.13Å; F56-A86 CarbonylContact C-O 3.54Å; F56-A86 WeakPolarHBondContact CA-O 3.29Å; F56-A86 HydrophobicContact CB-CB 3.97Å; F56-A86 HydrophobicContact CD1-CB 4.41Å; F56-N124 CarbonylContact O-C 3.5Å; F56-N124 VanDerWaalsContact O-CA 3.29Å; F56-N124 WeakPolarHBondContact O-CA 3.41Å; F56-V125 HydrophobicContact CB-CB 4.39Å; F56-V125 PolarHBondContact N-O 3.1Å; F56-V125 PolarHBondContact O-N 3.42Å; F56-I127 HydrophobicContact CE2-CD1 3.95Å; F56-I127 HydrophobicContact CE2-CG1 4.36Å; F56-F213 HydrophobicContact CD1-CE1 4.1Å; F56-F213 AromaticContact CD2-CD1 3.97Å; F56-F213 HydrophobicContact CD2-CD1 3.97Å; F56-F213 AromaticContact CD2-CE1 3.68Å; F56-F213 HydrophobicContact CD2-CE1 3.68Å; F56-F213 HydrophobicContact CE1-CE1 4.21Å; F56-F213 AromaticContact CE2-CD1 3.87Å; F56-F213 HydrophobicContact CE2-CD1 3.87Å; F56-F213 AromaticContact CE2-CE1 3.81Å; F56-F213 HydrophobicContact CE2-CE1 3.81Å; F56-F213 AromaticContact CG-CE1 3.84Å; F56-F213 HydrophobicContact CG-CE1 3.84Å; F56-F213 HydrophobicContact CZ-CD1 4.39Å; F56-F213 HydrophobicContact CZ-CE1 4.09Å
57	L	98.9	Very high	98	Very high	8 Å²	8	29.4 Å²	29.4	4%	0.042	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	132.4	-175	-53.1	-174.7	0	0	0	109.6	M44 A55 A86 K88 Y89 N124 W126	M44-L57 HydrophobicContact CE-CD1 3.32Å; M44-L57 HydrophobicContact CE-CG 3.89Å; A55-L57 HydrophobicContact CB-CD2 4.12Å; A55-L57 HydrophobicContact CB-CG 4.28Å; L57-A86 PolarHBondContact N-O 3.44Å; L57-A86 CarbonylContact O-C 3.31Å; L57-A86 WeakPolarHBondContact O-CA 3.32Å; L57-A86 WeakPolarHBondContact O-CB 3.38Å; L57-K88 CarbonylContact C-O 3.55Å; L57-K88 VanDerWaalsContact CB-C 3.46Å; L57-K88 WeakPolarHBondContact CB-O 3.41Å; L57-Y89 HydrophobicContact CB-CD1 4.18Å; L57-Y89 HydrophobicContact CD1-CD1 4.05Å; L57-Y89 HydrophobicContact CD1-CD2 4.15Å; L57-Y89 HydrophobicContact CD1-CE1 3.88Å; L57-Y89 HydrophobicContact CD1-CE2 3.98Å; L57-Y89 HydrophobicContact CD1-CG 4.19Å; L57-Y89 HydrophobicContact CD2-CD1 4.2Å; L57-Y89 HydrophobicContact CD2-CE1 3.69Å; L57-Y89 HydrophobicContact CG-CD1 4.37Å; L57-Y89 HydrophobicContact CG-CE1 4.23Å; L57-N124 WeakPolarHBondContact CA-OD1 3.01Å; L57-N124 HydrophobicContact CD2-CB 3.91Å; L57-W126 HydrophobicContact CD2-CH2 4.3Å; L57-W126 HydrophobicContact CD2-CZ2 3.7Å
58	G	98.8	Very high	98	Very high	4 Å²	4	33.6 Å²	33.6	4%	0.041	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	73.7	45	177.4	0	0	0	0	0	114.9	W84 Y122 L123 N124	G58-W84 PolarHBondContact O-NE1 2.83Å; G58-Y122 WeakPolarHBondContact O-CD1 3.41Å; G58-L123 PolarHBondContact N-O 3.42Å; G58-N124 PolarHBondContact N-OD1 3.36Å
59	I	98.9	Very high	98.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	124.3	169.4	-53.2	177	0	0	0	108.7	V41 F56 Y61 A86 Y122 L123 V125 W205 F213	V41-I59 HydrophobicContact CG1-CD1 4.42Å; V41-I59 HydrophobicContact CG1-CG1 4.36Å; V41-I59 HydrophobicContact CG1-CG2 4.09Å; V41-I59 HydrophobicContact CG2-CD1 4.38Å; F56-I59 HydrophobicContact CB-CD1 3.75Å; F56-I59 HydrophobicContact CB-CG1 4.13Å; I59-Y61 PolarHBondContact O-N 3.34Å; I59-A86 HydrophobicContact CG1-CB 3.94Å; I59-Y122 CarbonylContact O-C 3.44Å; I59-Y122 VanDerWaalsContact O-CA 3.28Å; I59-Y122 WeakPolarHBondContact O-CA 3.43Å; I59-L123 HydrophobicContact CB-CD1 3.95Å; I59-L123 HydrophobicContact CB-CG 4.46Å; I59-L123 HydrophobicContact CD1-CD1 4.17Å; I59-L123 HydrophobicContact CG1-CD1 4.46Å; I59-L123 PolarHBondContact N-O 3.37Å; I59-L123 PolarHBondContact O-N 2.88Å; I59-V125 HydrophobicContact CD1-CG2 4.08Å; I59-W205 HydrophobicContact CD1-CH2 3.99Å; I59-W205 HydrophobicContact CD1-CZ2 4.08Å; I59-W205 HydrophobicContact CG2-CZ2 3.89Å; I59-F213 HydrophobicContact CD1-CE1 4.38Å; I59-F213 HydrophobicContact CD1-CZ 4Å
60	P	98.7	Very high	98.2	Very high	7 Å²	7	32.2 Å²	32.2	5%	0.045	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	137.5	175.4	28	-34.2	0	0	0	109.5	L77 W80 W84 Y122	P60-L77 HydrophobicContact CB-CD1 3.79Å; P60-L77 HydrophobicContact CB-CD2 4.26Å; P60-L77 HydrophobicContact CG-CD1 4.22Å; P60-L77 WeakPolarHBondContact O-CD1 3.38Å; P60-W80 HydrophobicContact CG-CH2 4.11Å; P60-W80 HydrophobicContact CG-CZ3 3.91Å; P60-W84 HydrophobicContact CG-CD2 4.18Å; P60-W84 HydrophobicContact CG-CE3 4.24Å; P60-W84 HydrophobicContact CG-CH2 4.22Å; P60-W84 HydrophobicContact CG-CZ2 4.17Å; P60-W84 HydrophobicContact CG-CZ3 4.25Å; P60-Y122 HydrophobicContact CB-CD1 3.86Å; P60-Y122 HydrophobicContact CB-CE1 3.66Å; P60-Y122 HydrophobicContact CG-CE1 4.29Å
61	Y	98.8	Very high	98.5	Very high	6 Å²	6	28.3 Å²	28.3	2%	0.024	15%	0.152	C	C	.	.			trans	-117.4	-13.7	173	71.4	-97.4	0	0	0	114.2	I59 L77 L121 Y122 L123 M172 N173 D198 L201 A202	I59-Y61 PolarHBondContact O-N 3.34Å; Y61-L77 VanDerWaalsContact CA-CD1 3.41Å; Y61-L121 VanDerWaalsContact CD1-O 3.3Å; Y61-L121 WeakPolarHBondContact CD1-O 3.13Å; Y61-L121 HydrophobicContact CE1-CB 4.1Å; Y61-L121 WeakPolarHBondContact CE1-O 3.43Å; Y61-L121 HydrophobicContact CE2-CB 4.3Å; Y61-L121 PolarHBondContact N-O 2.87Å; Y61-L121 VanDerWaalsContact N-O 3.17Å; Y61-Y122 WeakPolarHBondContact CE1-O 3.35Å; Y61-L123 HydrophobicContact CD1-CB 4.07Å; Y61-L123 HydrophobicContact CD1-CD2 3.93Å; Y61-L123 HydrophobicContact CD1-CG 4.1Å; Y61-L123 HydrophobicContact CG-CD2 4.04Å; Y61-M172 HydrophobicContact CE1-CB 4.09Å; Y61-N173 WeakPolarHBondContact CE1-O 3.4Å; Y61-N173 PolarHBondContact OH-O 2.92Å; Y61-D198 WeakPolarHBondContact CE2-O 3.37Å; Y61-D198 WeakPolarHBondContact OH-CB 3.42Å; Y61-D198 PolarHBondContact OH-O 3.16Å; Y61-L201 HydrophobicContact CD2-CB 4.35Å; Y61-L201 HydrophobicContact CD2-CD2 4.45Å; Y61-L201 HydrophobicContact CD2-CG 4.22Å; Y61-L201 HydrophobicContact CE2-CB 4.37Å; Y61-A202 HydrophobicContact CD1-CB 4.21Å; Y61-A202 HydrophobicContact CD2-CB 3.95Å; Y61-A202 HydrophobicContact CE1-CB 4.2Å; Y61-A202 HydrophobicContact CE2-CB 3.97Å; Y61-A202 HydrophobicContact CG-CB 4.08Å
62	A	98.7	Very high	98.6	Very high	3 Å²	3	30.1 Å²	30.1	3%	0.025	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-137.1	162.5	176.8	0	0	0	0	0	111.4	P74 Q75 L77 L121 L201	A62-P74 HydrophobicContact CB-CB 4Å; A62-Q75 WeakPolarHBondContact CA-O 3.34Å; A62-L77 VanDerWaalsContact C-CG 3.47Å; A62-L77 VanDerWaalsContact O-CD2 3.31Å; A62-L77 WeakPolarHBondContact O-CD2 3.46Å; A62-L77 WeakPolarHBondContact O-CG 3.46Å; A62-L121 HydrophobicContact CB-CB 3.87Å; A62-L121 HydrophobicContact CB-CD1 3.58Å; A62-L121 HydrophobicContact CB-CG 4.39Å; A62-L201 HydrophobicContact CB-CD2 3.69Å
63	Q	98.6	Very high	98.6	Very high	65 Å²	65	30.4 Å²	30.4	30%	0.304	15%	0.152	S	C	.	.			trans	-62.8	142.7	166.4	-66.7	179.5	32	0	0	109.4	P65 L69 Q75 S76	Q63-P65 WeakPolarHBondContact O-CD 3.48Å; Q63-L69 HydrophobicContact CB-CD1 4.48Å; Q63-Q75 HydrophobicContact CB-CB 4.21Å; Q63-Q75 HydrophobicContact CG-CB 4.2Å; Q63-Q75 PolarHBondContact N-O 3.41Å; Q63-S76 WeakPolarHBondContact CG-O 3.19Å; Q63-S76 PolarHBondContact NE2-O 2.97Å
64	P	98.5	Very high	98.6	Very high	45 Å²	45	31.3 Å²	31.3	29%	0.292	16%	0.158	S	C	.	.			trans	-54.4	124.1	173.7	-26.8	35.5	0	0	0	110.5	L66 D119	P64-L66 HydrophobicContact CB-CD1 3.84Å; P64-L66 HydrophobicContact CB-CG 3.79Å; P64-L66 PolarHBondContact O-N 3.18Å; P64-D119 HydrophobicContact CB-CB 4.05Å; P64-D119 WeakPolarHBondContact CG-OD1 3.21Å
65	P	98.3	Very high	98.6	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.019	17%	0.174	C	C	.	.			trans	-78.4	47.2	-174.5	33.1	-36.8	0	0	0	112.5	Q63 L69 R70 E118 L121	Q63-P65 WeakPolarHBondContact O-CD 3.48Å; P65-L69 CarbonylContact O-C 3.44Å; P65-R70 WeakPolarHBondContact O-CA 3.33Å; P65-R70 PolarHBondContact O-N 3.32Å; P65-R70 VanDerWaalsContact O-N 3.14Å; P65-E118 VanDerWaalsContact CD-O 3.3Å; P65-E118 WeakPolarHBondContact CD-O 3.32Å; P65-E118 WeakPolarHBondContact CG-O 3.47Å; P65-L121 HydrophobicContact CB-CD1 4.36Å; P65-L121 HydrophobicContact CG-CD1 3.86Å; P65-L121 HydrophobicContact CG-CG 4.07Å
66	L	98.4	Very high	98.4	Very high	82 Å²	82	37.9 Å²	37.9	43%	0.429	20%	0.195	S	C	.	.			trans	-85.9	152.3	-173.1	-57.2	176.2	0	0	0	112.7	P64 R68 L69 E118 D119	P64-L66 HydrophobicContact CB-CD1 3.84Å; P64-L66 HydrophobicContact CB-CG 3.79Å; P64-L66 PolarHBondContact O-N 3.18Å; L66-R68 PolarHBondContact O-N 3.49Å; L66-R68 VanDerWaalsContact O-N 3.08Å; L66-L69 WeakPolarHBondContact O-CB 3.26Å; L66-L69 PolarHBondContact O-N 3.4Å; L66-E118 HydrophobicContact CD2-CB 3.58Å; L66-D119 HydrophobicContact CD2-CB 4.4Å
67	G	97.7	Very high	98.1	Very high	42 Å²	42	39.3 Å²	39.3	43%	0.433	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	54.4	-113.6	172.5	0	0	0	0	0	112.3	L69 R70	G67-L69 PolarHBondContact O-N 2.77Å; G67-L69 VanDerWaalsContact O-N 3.13Å; G67-R70 WeakPolarHBondContact O-CB 3.18Å; G67-R70 PolarHBondContact O-N 2.75Å; G67-R70 VanDerWaalsContact O-N 3.09Å
68	R	97.8	Very high	97.6	Very high	209 Å²	209	43.8 Å²	43.8	79%	0.789	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-63	-17.7	179.7	71.9	176.5	-177.8	168.3	-0.1	114.6	L66 K72	L66-R68 PolarHBondContact O-N 3.49Å; L66-R68 VanDerWaalsContact O-N 3.08Å; R68-K72 VanDerWaalsContact O-CD 3.32Å; R68-K72 WeakPolarHBondContact O-CD 3.48Å
69	L	98.5	Very high	97.4	Very high	30 Å²	30	51.7 Å²	51.7	16%	0.157	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-89.8	-10.7	178.6	-62.3	-179.6	0	0	0	112.7	Q63 P65 L66 G67 F71 K72 Q75	Q63-L69 HydrophobicContact CB-CD1 4.48Å; P65-L69 CarbonylContact O-C 3.44Å; L66-L69 WeakPolarHBondContact O-CB 3.26Å; L66-L69 PolarHBondContact O-N 3.4Å; G67-L69 PolarHBondContact O-N 2.77Å; G67-L69 VanDerWaalsContact O-N 3.13Å; L69-F71 PolarHBondContact O-N 2.7Å; L69-K72 WeakPolarHBondContact O-CB 3.29Å; L69-K72 PolarHBondContact O-N 3.22Å; L69-Q75 HydrophobicContact CD2-CG 3.99Å
70	R	98.8	Very high	97.1	Very high	13 Å²	13	54 Å²	54	5%	0.049	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	135.8	173.8	-174.5	-169	-68.1	175.1	-2.7	109.5	P65 G67 K72 E118 L179 L292 R293 K295	P65-R70 WeakPolarHBondContact O-CA 3.33Å; P65-R70 PolarHBondContact O-N 3.32Å; P65-R70 VanDerWaalsContact O-N 3.14Å; G67-R70 WeakPolarHBondContact O-CB 3.18Å; G67-R70 PolarHBondContact O-N 2.75Å; G67-R70 VanDerWaalsContact O-N 3.09Å; R70-K72 PolarHBondContact O-N 3.04Å; R70-E118 WeakPolarHBondContact CD-OE1 3.48Å; R70-E118 WeakPolarHBondContact CG-OE1 3.46Å; R70-E118 IonicContact CZ-OE1 3.85Å; R70-E118 IonicContact CZ-OE2 3.16Å; R70-E118 IonicContact NE-OE1 2.77Å; R70-E118 PolarHBondContact NE-OE1 3.28Å; R70-E118 IonicContact NE-OE2 2.7Å; R70-E118 PolarHBondContact NE-OE2 3.33Å; R70-E118 IonicContact NH2-OE1 2.7Å; R70-E118 IonicContact NH2-OE2 2.88Å; R70-E118 PolarHBondContact NH2-OE2 2.84Å; R70-L179 HydrophobicContact CG-CD2 3.92Å; R70-L292 PolarHBondContact NH1-O 3.38Å; R70-L292 VanDerWaalsContact NH1-O 3.11Å; R70-R293 HydrophobicContact CB-CG 4.22Å; R70-R293 PolarHBondContact NH1-O 3.11Å; R70-R293 PolarHBondContact O-NE 3.32Å; R70-K295 PolarHBondContact NH1-O 2.99Å; R70-K295 PolarHBondContact NH2-O 2.89Å
71	F	98.8	Very high	96.6	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.9	0.3	-172.5	-41.1	-60.8	0	0	0	116.1	L69 L179 L182 A190 M194 I289 L292 R293 I300	L69-F71 PolarHBondContact O-N 2.7Å; F71-L179 HydrophobicContact CE1-CD2 3.83Å; F71-L179 HydrophobicContact CZ-CD2 4.28Å; F71-L182 HydrophobicContact CD1-CB 4.08Å; F71-L182 HydrophobicContact CD1-CD1 4.39Å; F71-L182 HydrophobicContact CE1-CB 4.36Å; F71-L182 HydrophobicContact CE1-CD1 4.06Å; F71-L182 HydrophobicContact CZ-CD1 4.31Å; F71-A190 HydrophobicContact CB-CB 3.92Å; F71-M194 HydrophobicContact CB-CE 4.13Å; F71-M194 WeakPolarHBondContact O-CE 3.49Å; F71-M194 WeakPolarHBondContact O-CG 3.41Å; F71-I289 HydrophobicContact CD2-CG2 4.09Å; F71-L292 HydrophobicContact CE2-CB 3.86Å; F71-L292 HydrophobicContact CZ-CB 4.19Å; F71-R293 HydrophobicContact CD2-CG 3.85Å; F71-R293 HydrophobicContact CE2-CG 3.88Å; F71-I300 HydrophobicContact CZ-CD1 3.98Å
72	K	98.7	Very high	96.4	Very high	53 Å²	53	64.3 Å²	64.3	23%	0.23	34%	0.336	C	S	.	.	S	Bend	trans	-92.6	159.2	175.8	-56.6	-165.8	73.3	156.5	0	111.1	R68 L69 R70 R175 E189	R68-K72 VanDerWaalsContact O-CD 3.32Å; R68-K72 WeakPolarHBondContact O-CD 3.48Å; L69-K72 WeakPolarHBondContact O-CB 3.29Å; L69-K72 PolarHBondContact O-N 3.22Å; R70-K72 PolarHBondContact O-N 3.04Å; K72-R175 PolarHBondContact O-NH1 3.09Å; K72-R175 PolarHBondContact O-NH2 2.85Å; K72-E189 IonicContact NZ-OE1 2.71Å; K72-E189 PolarHBondContact NZ-OE1 3.3Å; K72-E189 IonicContact NZ-OE2 3.09Å
73	K	98.6	Very high	96.4	Very high	56 Å²	56	67.1 Å²	67.1	24%	0.243	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-52	141.1	167.7	-69.2	-173.8	173.1	-161.8	0	110.8	Q75 F197 D325	K73-Q75 PolarHBondContact O-N 2.92Å; K73-Q75 PolarHBondContact O-NE2 3.07Å; K73-F197 HydrophobicContact CD-CD1 4.36Å; K73-F197 HydrophobicContact CD-CD2 4.16Å; K73-F197 HydrophobicContact CD-CE1 4.37Å; K73-F197 HydrophobicContact CD-CE2 4.2Å; K73-F197 HydrophobicContact CD-CG 4.26Å; K73-F197 HydrophobicContact CD-CZ 4.3Å; K73-F197 HydrophobicContact CG-CD2 3.96Å; K73-F197 HydrophobicContact CG-CE2 4.37Å; K73-F197 HydrophobicContact CG-CG 4.17Å; K73-F197 VanDerWaalsContact NZ-CE1 3.31Å; K73-D325 IonicContact NZ-OD1 3.87Å; K73-D325 PolarHBondContact NZ-OD1 3.02Å; K73-D325 IonicContact NZ-OD2 3.81Å; K73-D325 PolarHBondContact NZ-OD2 3.07Å
74	P	98.7	Very high	96.3	Very high	19 Å²	19	68.4 Å²	68.4	12%	0.123	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-60.9	139.5	179.8	28.9	-36.7	0	0	0	110.8	A62 L121 F197 D198 L201	A62-P74 HydrophobicContact CB-CB 4Å; P74-L121 HydrophobicContact CB-CD1 4.07Å; P74-F197 HydrophobicContact CG-CB 4.09Å; P74-F197 WeakPolarHBondContact CG-O 3.34Å; P74-D198 VanDerWaalsContact CB-OD1 3.25Å; P74-D198 WeakPolarHBondContact CB-OD1 3.44Å; P74-D198 WeakPolarHBondContact CD-OD1 3.41Å; P74-D198 VanDerWaalsContact CG-OD1 3.23Å; P74-D198 WeakPolarHBondContact CG-OD1 3.37Å; P74-L201 HydrophobicContact CB-CD2 3.75Å; P74-L201 HydrophobicContact CG-CB 4.19Å; P74-L201 HydrophobicContact CG-CD2 3.92Å
75	Q	98.1	Very high	96.3	Very high	86 Å²	86	70.7 Å²	70.7	40%	0.402	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-94.3	140.1	175.7	-61.2	-58.9	-48.6	0	0	109.7	A62 Q63 L69 K73	A62-Q75 WeakPolarHBondContact CA-O 3.34Å; Q63-Q75 HydrophobicContact CB-CB 4.21Å; Q63-Q75 HydrophobicContact CG-CB 4.2Å; Q63-Q75 PolarHBondContact N-O 3.41Å; L69-Q75 HydrophobicContact CD2-CG 3.99Å; K73-Q75 PolarHBondContact O-N 2.92Å; K73-Q75 PolarHBondContact O-NE2 3.07Å
76	S	95.5	Very high	96.3	Very high	65 Å²	65	70.5 Å²	70.5	46%	0.455	36%	0.361	S	S	.	.	B	Isolated β-bridge	trans	-60.6	142.8	176.2	-71.6	0	0	0	0	111.3	Q63	Q63-S76 WeakPolarHBondContact CG-O 3.19Å; Q63-S76 PolarHBondContact NE2-O 2.97Å
77	L	92.6	Very high	96.3	Very high	30 Å²	30	69.5 Å²	69.5	16%	0.157	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-61.2	142.4	175.8	-83.3	160.3	0	0	0	113	N38 P60 Y61 A62 W80	N38-L77 PolarHBondContact ND2-O 3.49Å; P60-L77 HydrophobicContact CB-CD1 3.79Å; P60-L77 HydrophobicContact CB-CD2 4.26Å; P60-L77 HydrophobicContact CG-CD1 4.22Å; P60-L77 WeakPolarHBondContact O-CD1 3.38Å; Y61-L77 VanDerWaalsContact CA-CD1 3.41Å; A62-L77 VanDerWaalsContact C-CG 3.47Å; A62-L77 VanDerWaalsContact O-CD2 3.31Å; A62-L77 WeakPolarHBondContact O-CD2 3.46Å; A62-L77 WeakPolarHBondContact O-CG 3.46Å; L77-W80 HydrophobicContact CD1-CZ3 4.28Å
78	T	89.3	Confident	96.4	Very high	102 Å²	102	75.1 Å²	75.1	63%	0.626	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-73.8	164.7	158.9	52.1	0	0	0	0	110.3
79	K	92.9	Very high	96.4	Very high	169 Å²	169	68 Å²	68	74%	0.735	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-74	146.9	174.4	-68.2	-173	177.9	-178.8	0	111	K37 N38	K37-K79 VanDerWaalsContact O-CE 3.25Å; K37-K79 WeakPolarHBondContact O-CE 3.22Å; N38-K79 CarbonylContact O-C 3.52Å; N38-K79 WeakPolarHBondContact O-CA 3.47Å; N38-K79 WeakPolarHBondContact O-CB 3.24Å
80	W	93.5	Very high	96.4	Very high	50 Å²	50	67.5 Å²	67.5	19%	0.189	35%	0.345	C	S	.	.			trans	-109.5	143.1	165.1	64.2	86.7	0	0	0	109.9	N38 K40 V41 P60 L77 D82 W84	N38-W80 HydrophobicContact CB-CE3 4.03Å; N38-W80 HydrophobicContact CB-CH2 3.88Å; N38-W80 HydrophobicContact CB-CZ3 3.51Å; N38-W80 PolarHBondContact O-N 3.5Å; K40-W80 PolarHBondContact O-NE1 2.96Å; V41-W80 HydrophobicContact CG1-CH2 4.48Å; V41-W80 HydrophobicContact CG1-CZ2 3.78Å; P60-W80 HydrophobicContact CG-CH2 4.11Å; P60-W80 HydrophobicContact CG-CZ3 3.91Å; L77-W80 HydrophobicContact CD1-CZ3 4.28Å; W80-D82 PolarHBondContact NE1-O 3.04Å; W80-W84 HydrophobicContact CZ2-CB 4.02Å
81	S	88.6	Confident	96.4	Very high	111 Å²	111	69.2 Å²	69.2	78%	0.776	36%	0.355	S	S	*	.	S	Bend	trans	-77.6	-34.7	-178.5	52.5	0	0	0	0	112.9
82	D	94.1	Very high	96.4	Very high	118 Å²	118	69.2 Å²	69.2	63%	0.631	36%	0.355	S	S	*	.	S	Bend	trans	-89	-170.1	-166.9	-59.3	-14.3	0	0	0	111.8	W80	W80-D82 PolarHBondContact NE1-O 3.04Å
83	I	97.6	Very high	96.4	Very high	62 Å²	62	66.8 Å²	66.8	32%	0.318	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	120.1	174.9	-60	165.7	0	0	0	108.2	I33 K40 R42	I33-I83 HydrophobicContact CD1-CD1 3.8Å; K40-I83 HydrophobicContact CB-CG1 4Å; K40-I83 HydrophobicContact CD-CG1 4.27Å; R42-I83 HydrophobicContact CB-CG2 3.66Å
84	W	98.1	Very high	96.5	Very high	92 Å²	92	64.9 Å²	64.9	35%	0.348	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	120.1	173.2	-176.3	-82.9	0	0	0	110.2	K40 V41 R42 G58 P60 W80 A86 Y122	K40-W84 PolarHBondContact O-N 3.05Å; V41-W84 CarbonylContact C-O 3.6Å; V41-W84 WeakPolarHBondContact CA-O 3.36Å; V41-W84 HydrophobicContact CG1-CB 4.25Å; R42-W84 PolarHBondContact N-O 3.44Å; G58-W84 PolarHBondContact O-NE1 2.83Å; P60-W84 HydrophobicContact CG-CD2 4.18Å; P60-W84 HydrophobicContact CG-CE3 4.24Å; P60-W84 HydrophobicContact CG-CH2 4.22Å; P60-W84 HydrophobicContact CG-CZ2 4.17Å; P60-W84 HydrophobicContact CG-CZ3 4.25Å; W80-W84 HydrophobicContact CZ2-CB 4.02Å; W84-A86 PolarHBondContact O-N 3.08Å; W84-A86 VanDerWaalsContact O-N 3.15Å; W84-Y122 AromaticContact CH2-CE1 4Å; W84-Y122 HydrophobicContact CH2-CE1 4Å; W84-Y122 HydrophobicContact CZ2-CD1 4.36Å; W84-Y122 AromaticContact CZ2-CE1 3.62Å; W84-Y122 HydrophobicContact CZ2-CE1 3.62Å
85	N	98.1	Very high	96.5	Very high	92 Å²	92	64.1 Å²	64.1	49%	0.492	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	94.9	178.2	-73.2	-20.8	0	0	0	110.6	R42 T87	R42-N85 PolarHBondContact NH1-OD1 3.14Å; N85-T87 VanDerWaalsContact C-N 3.3Å; N85-T87 PolarHBondContact O-N 3.05Å
86	A	98.5	Very high	96.5	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.328	C	S	.	.			trans	-89.7	56.9	178.8	0	0	0	0	0	111.3	R42 F56 L57 I59 W84	R42-A86 CarbonylContact O-C 3.56Å; R42-A86 WeakPolarHBondContact O-CA 3.35Å; R42-A86 WeakPolarHBondContact O-CB 3.32Å; R42-A86 PolarHBondContact O-N 3.11Å; F56-A86 CarbonylContact C-O 3.54Å; F56-A86 WeakPolarHBondContact CA-O 3.29Å; F56-A86 HydrophobicContact CB-CB 3.97Å; F56-A86 HydrophobicContact CD1-CB 4.41Å; L57-A86 PolarHBondContact N-O 3.44Å; L57-A86 CarbonylContact O-C 3.31Å; L57-A86 WeakPolarHBondContact O-CA 3.32Å; L57-A86 WeakPolarHBondContact O-CB 3.38Å; I59-A86 HydrophobicContact CG1-CB 3.94Å; W84-A86 PolarHBondContact O-N 3.08Å; W84-A86 VanDerWaalsContact O-N 3.15Å
87	T	98.3	Very high	96.6	Very high	60 Å²	60	63.1 Å²	63.1	37%	0.368	32%	0.324	S	S	.	.	B	Isolated β-bridge	trans	-113.3	2.5	-172.7	55.9	0	0	0	0	113.9	M44 N85	M44-T87 HydrophobicContact CB-CG2 4.21Å; N85-T87 VanDerWaalsContact C-N 3.3Å; N85-T87 PolarHBondContact O-N 3.05Å
88	K	98.5	Very high	96.8	Very high	161 Å²	161	63.7 Å²	63.7	70%	0.7	33%	0.327	S	S	*	.	S	Bend	trans	-144	150.9	176.6	60.8	176.3	-177.4	171.7	0	110	L57	L57-K88 CarbonylContact C-O 3.55Å; L57-K88 VanDerWaalsContact CB-C 3.46Å; L57-K88 WeakPolarHBondContact CB-O 3.41Å
89	Y	98.9	Very high	97.2	Very high	60 Å²	60	65.9 Å²	65.9	24%	0.235	33%	0.331	C	S	.	.			trans	-59.5	146.4	170.8	-67.1	-66.6	0	0	0	110.6	L57 W126	L57-Y89 HydrophobicContact CB-CD1 4.18Å; L57-Y89 HydrophobicContact CD1-CD1 4.05Å; L57-Y89 HydrophobicContact CD1-CD2 4.15Å; L57-Y89 HydrophobicContact CD1-CE1 3.88Å; L57-Y89 HydrophobicContact CD1-CE2 3.98Å; L57-Y89 HydrophobicContact CD1-CG 4.19Å; L57-Y89 HydrophobicContact CD2-CD1 4.2Å; L57-Y89 HydrophobicContact CD2-CE1 3.69Å; L57-Y89 HydrophobicContact CG-CD1 4.37Å; L57-Y89 HydrophobicContact CG-CE1 4.23Å; Y89-W126 HydrophobicContact CE1-CH2 4.19Å; Y89-W126 AromaticContact CE1-CZ2 3.96Å; Y89-W126 HydrophobicContact CE1-CZ2 3.96Å; Y89-W126 WeakPolarHBondContact OH-CZ2 3.36Å
90	A	98.8	Very high	97.4	Very high	19 Å²	19	61 Å²	61	16%	0.157	32%	0.318	C	S	.	.			trans	-83.6	178.2	175.2	0	0	0	0	0	111.4	T114 Y122	A90-T114 WeakPolarHBondContact O-CB 3.49Å; A90-T114 PolarHBondContact O-OG1 2.94Å; A90-Y122 HydrophobicContact CB-CD1 3.91Å; A90-Y122 HydrophobicContact CB-CD2 3.44Å; A90-Y122 VanDerWaalsContact CB-CD2 3.44Å; A90-Y122 HydrophobicContact CB-CE2 4.17Å; A90-Y122 HydrophobicContact CB-CG 3.33Å
91	N	98.9	Very high	97.6	Very high	49 Å²	49	60.3 Å²	60.3	26%	0.262	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-59.8	142.9	175.3	-56.6	-29.5	0	0	0	111.1	D115 D119 N173	N91-D115 CarbonylContact C-O 3.55Å; N91-D115 VanDerWaalsContact CA-O 3.25Å; N91-D115 WeakPolarHBondContact CA-O 3.49Å; N91-D115 VanDerWaalsContact CB-O 3.3Å; N91-D115 WeakPolarHBondContact CB-O 3.12Å; N91-D119 PolarHBondContact ND2-O 3.31Å; N91-N173 PolarHBondContact O-ND2 3.49Å
92	S	98.9	Very high	98.1	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	150.2	167.6	-64.1	0	0	0	0	109.2	T114 D115 L116 S117 T150	S92-T114 PolarHBondContact N-OG1 2.91Å; S92-T114 VanDerWaalsContact N-OG1 3.08Å; S92-T114 PolarHBondContact OG-OG1 3.22Å; S92-D115 PolarHBondContact N-O 2.9Å; S92-L116 WeakPolarHBondContact O-CA 3.24Å; S92-S117 PolarHBondContact O-N 3.17Å; S92-T150 WeakPolarHBondContact OG-CB 3.37Å; S92-T150 PolarHBondContact OG-OG1 3.15Å
93	C	98.9	Very high	98.3	Very high	2 Å²	2	57.7 Å²	57.7	1%	0.014	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	143.9	177	-63	0	0	0	0	110.8	Q95 S117 C120 Y174 V176	C93-Q95 WeakPolarHBondContact O-CG 3.45Å; C93-Q95 PolarHBondContact O-N 2.88Å; C93-Q95 PolarHBondContact O-NE2 3.43Å; C93-S117 WeakPolarHBondContact CA-O 3.07Å; C93-C120 VanDerWaalsContact CA-CB 3.48Å; C93-C120 WeakPolarHBondContact CA-SG 3.21Å; C93-C120 HydrophobicContact CB-CB 3.82Å; C93-C120 WeakPolarHBondContact CB-SG 3.32Å; C93-C120 WeakPolarHBondContact SG-CB 3.5Å; C93-C120 CovalentContact SG-SG 2.04Å; C93-C120 PolarHBondContact SG-SG 2.96Å; C93-Y174 PolarHBondContact SG-O 3.38Å; C93-V176 HydrophobicContact CB-CG2 4.45Å
94	C	98.9	Very high	98.3	Very high	15 Å²	15	56.4 Å²	56.4	10%	0.101	31%	0.307	C	S	.	.	S	Bend	trans	-48.2	124.9	173	-72.1	0	0	0	0	111.2	S117 L179 P297 L301	C94-S117 PolarHBondContact N-O 2.79Å; C94-L179 HydrophobicContact CB-CD1 3.51Å; C94-P297 HydrophobicContact CB-CB 4.37Å; C94-L301 HydrophobicContact CB-CD1 4.16Å
95	Q	98.8	Very high	98.3	Very high	3 Å²	3	58 Å²	58	1%	0.014	32%	0.318	C	S	.	.			trans	-158.7	157.8	-174.7	62.7	-167.2	-89.4	0	0	110.2	C93 P112 L116 Q147 T148 G149 V176	C93-Q95 WeakPolarHBondContact O-CG 3.45Å; C93-Q95 PolarHBondContact O-N 2.88Å; C93-Q95 PolarHBondContact O-NE2 3.43Å; Q95-P112 HydrophobicContact CG-CG 4.37Å; Q95-L116 HydrophobicContact CG-CD1 4.46Å; Q95-L116 HydrophobicContact CG-CD2 4.04Å; Q95-L116 WeakPolarHBondContact O-CD1 3.4Å; Q95-Q147 WeakPolarHBondContact CB-O 3.44Å; Q95-T148 VanDerWaalsContact OE1-CA 3.22Å; Q95-G149 PolarHBondContact NE2-O 2.89Å; Q95-V176 HydrophobicContact CB-CG2 3.84Å
96	N	98	Very high	98.3	Very high	57 Å²	57	53.6 Å²	53.6	31%	0.305	29%	0.294	S	S	.	.			trans	-69.6	151.7	167.2	-74.5	-54	0	0	0	110.3	T148 L301	N96-T148 WeakPolarHBondContact O-CG2 3.39Å; N96-L301 PolarHBondContact ND2-O 3.21Å; N96-L301 PolarHBondContact OD1-O 3.14Å
97	I	97.9	Very high	98.2	Very high	74 Å²	74	53.7 Å²	53.7	38%	0.379	30%	0.295	S	S	.	.			trans	-111	137.2	-178.1	-58.6	-179.6	0	0	0	108.1	Q99 N111 P112 L116	I97-Q99 HydrophobicContact CG2-CG 4.4Å; I97-Q99 PolarHBondContact O-N 3.31Å; I97-N111 HydrophobicContact CG2-CB 4.16Å; I97-N111 VanDerWaalsContact CG2-CG 3.46Å; I97-N111 WeakPolarHBondContact CG2-ND2 3.34Å; I97-N111 WeakPolarHBondContact CG2-OD1 3.34Å; I97-P112 HydrophobicContact CD1-CG 4.35Å; I97-P112 HydrophobicContact CG1-CG 4.17Å; I97-L116 HydrophobicContact CD1-CD1 4.18Å; I97-L116 HydrophobicContact CG1-CD1 4.35Å
98	D	97.6	Very high	98.3	Very high	41 Å²	41	54.8 Å²	54.8	22%	0.219	30%	0.296	C	S	.	.			trans	-72.4	116.4	172.5	177.7	22.9	0	0	0	110.3	S100 S107 N111 Y360	D98-S100 WeakPolarHBondContact OD1-CB 3.31Å; D98-S100 PolarHBondContact OD1-N 3.22Å; D98-S100 PolarHBondContact OD1-OG 3.21Å; D98-S107 VanDerWaalsContact OD2-CB 3.24Å; D98-S107 WeakPolarHBondContact OD2-CB 3.4Å; D98-N111 PolarHBondContact N-OD1 2.67Å; D98-N111 PolarHBondContact O-ND2 2.72Å; D98-Y360 WeakPolarHBondContact OD2-CE1 3.18Å; D98-Y360 PolarHBondContact OD2-OH 2.89Å
99	Q	97.5	Very high	98.3	Very high	149 Å²	149	48.4 Å²	48.4	70%	0.696	27%	0.269	S	S	*	.			trans	-117.3	14.2	178.9	-61.5	179.6	10.9	0	0	111.9	I97 F101 P102	I97-Q99 HydrophobicContact CG2-CG 4.4Å; I97-Q99 PolarHBondContact O-N 3.31Å; Q99-F101 VanDerWaalsContact C-N 3.27Å; Q99-F101 PolarHBondContact O-N 3.46Å; Q99-P102 WeakPolarHBondContact O-CD 3.33Å; Q99-P102 WeakPolarHBondContact O-CG 3.46Å
100	S	97.6	Very high	98.2	Very high	66 Å²	66	48.7 Å²	48.7	46%	0.462	27%	0.27	S	S	.	.	S	Bend	trans	-65.4	-33.2	-176	-49.2	0	0	0	0	111.7	D98 Y360	D98-S100 WeakPolarHBondContact OD1-CB 3.31Å; D98-S100 PolarHBondContact OD1-N 3.22Å; D98-S100 PolarHBondContact OD1-OG 3.21Å; S100-Y360 WeakPolarHBondContact OG-CE1 3.4Å
101	F	97.8	Very high	98.2	Very high	36 Å²	36	49 Å²	49	16%	0.158	27%	0.269	C	S	.	.	S	Bend	trans	-132.7	76.7	-179.8	-48.9	-63.9	0	0	0	111.6	Q99 G103 F104 S107 V359 Y360 K367 W458	Q99-F101 VanDerWaalsContact C-N 3.27Å; Q99-F101 PolarHBondContact O-N 3.46Å; F101-G103 PolarHBondContact O-N 2.79Å; F101-F104 HydrophobicContact CB-CB 3.75Å; F101-F104 HydrophobicContact CB-CD1 4.03Å; F101-F104 HydrophobicContact CB-CG 4.29Å; F101-F104 HydrophobicContact CG-CD1 4.49Å; F101-F104 VanDerWaalsContact O-CB 3.31Å; F101-F104 WeakPolarHBondContact O-CB 3.31Å; F101-F104 PolarHBondContact O-N 3.44Å; F101-F104 VanDerWaalsContact O-N 3.15Å; F101-S107 PolarHBondContact O-OG 2.96Å; F101-V359 HydrophobicContact CE2-CG2 4.16Å; F101-V359 HydrophobicContact CZ-CB 4.23Å; F101-V359 HydrophobicContact CZ-CG2 4.2Å; F101-Y360 HydrophobicContact CD2-CE1 4.43Å; F101-Y360 AromaticContact CE2-CE1 3.91Å; F101-Y360 HydrophobicContact CE2-CE1 3.91Å; F101-Y360 HydrophobicContact CE2-CE2 4.38Å; F101-Y360 AromaticContact CE2-CZ 3.84Å; F101-K367 HydrophobicContact CB-CD 4.3Å; F101-K367 HydrophobicContact CD1-CD 3.61Å; F101-K367 HydrophobicContact CD1-CG 4.23Å; F101-K367 HydrophobicContact CD2-CD 4.35Å; F101-K367 HydrophobicContact CE1-CD 3.96Å; F101-K367 HydrophobicContact CE1-CG 4.11Å; F101-K367 HydrophobicContact CG-CD 3.81Å; F101-K367 HydrophobicContact CZ-CD 4.48Å; F101-W458 AromaticContact CD2-CH2 3.93Å; F101-W458 HydrophobicContact CD2-CH2 3.93Å; F101-W458 HydrophobicContact CD2-CZ3 4.41Å; F101-W458 AromaticContact CE2-CH2 3.82Å; F101-W458 HydrophobicContact CE2-CH2 3.82Å; F101-W458 HydrophobicContact CE2-CZ3 4.13Å
102	P	98	Very high	98.2	Very high	107 Å²	107	47.9 Å²	47.9	70%	0.695	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	134.7	-179.5	-23.1	34.9	0	0	0	112.4	Q99 F104	Q99-P102 WeakPolarHBondContact O-CD 3.33Å; Q99-P102 WeakPolarHBondContact O-CG 3.46Å; P102-F104 PolarHBondContact O-N 3.29Å
103	G	97.9	Very high	98.2	Very high	66 Å²	66	52 Å²	52	68%	0.68	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.1	3.3	-177	0	0	0	0	0	114.8	F101 E108	F101-G103 PolarHBondContact O-N 2.79Å; G103-E108 WeakPolarHBondContact CA-OE1 3.38Å; G103-E108 PolarHBondContact N-OE1 3.42Å
104	F	98.5	Very high	98.2	Very high	35 Å²	35	53.6 Å²	53.6	15%	0.154	30%	0.296	C	S	.	.			trans	-93.6	115.5	179.5	179.5	-121.8	0	0	0	111.3	F101 P102 G106 S107 E108 K367 P457 W458	F101-F104 HydrophobicContact CB-CB 3.75Å; F101-F104 HydrophobicContact CB-CD1 4.03Å; F101-F104 HydrophobicContact CB-CG 4.29Å; F101-F104 HydrophobicContact CG-CD1 4.49Å; F101-F104 VanDerWaalsContact O-CB 3.31Å; F101-F104 WeakPolarHBondContact O-CB 3.31Å; F101-F104 PolarHBondContact O-N 3.44Å; F101-F104 VanDerWaalsContact O-N 3.15Å; P102-F104 PolarHBondContact O-N 3.29Å; F104-G106 PolarHBondContact O-N 3.3Å; F104-G106 VanDerWaalsContact O-N 3.15Å; F104-S107 PolarHBondContact O-N 3.46Å; F104-S107 PolarHBondContact O-OG 3.18Å; F104-S107 VanDerWaalsContact O-OG 3.06Å; F104-E108 WeakPolarHBondContact O-CB 3.41Å; F104-E108 WeakPolarHBondContact O-CG 3.26Å; F104-E108 PolarHBondContact O-N 2.89Å; F104-K367 HydrophobicContact CD1-CD 4.1Å; F104-K367 HydrophobicContact CE1-CD 4.17Å; F104-K367 HydrophobicContact CG-CD 4.35Å; F104-P457 HydrophobicContact CE2-CB 3.84Å; F104-P457 HydrophobicContact CE2-CG 4.45Å; F104-P457 WeakPolarHBondContact CE2-O 3.42Å; F104-P457 HydrophobicContact CZ-CB 4.02Å; F104-P457 HydrophobicContact CZ-CG 4.23Å; F104-P457 WeakPolarHBondContact CZ-O 3.48Å; F104-W458 HydrophobicContact CD1-CH2 4.29Å; F104-W458 HydrophobicContact CD1-CZ2 4.31Å; F104-W458 AromaticContact CE1-CD2 3.59Å; F104-W458 HydrophobicContact CE1-CD2 3.59Å; F104-W458 AromaticContact CE1-CE2 3.51Å; F104-W458 AromaticContact CE1-CE3 3.66Å; F104-W458 HydrophobicContact CE1-CE3 3.66Å; F104-W458 HydrophobicContact CE1-CG 4.33Å; F104-W458 AromaticContact CE1-CH2 3.69Å; F104-W458 HydrophobicContact CE1-CH2 3.69Å; F104-W458 AromaticContact CE1-CZ2 3.59Å; F104-W458 HydrophobicContact CE1-CZ2 3.59Å; F104-W458 AromaticContact CE1-CZ3 3.71Å; F104-W458 HydrophobicContact CE1-CZ3 3.71Å; F104-W458 AromaticContact CZ-CD2 3.79Å; F104-W458 HydrophobicContact CZ-CD2 3.79Å; F104-W458 AromaticContact CZ-CE3 3.98Å; F104-W458 HydrophobicContact CZ-CE3 3.98Å; F104-W458 HydrophobicContact CZ-CG 4.12Å; F104-W458 HydrophobicContact CZ-CZ3 4.45Å
105	H	97.9	Very high	98.2	Very high	126 Å²	126	58.9 Å²	58.9	58%	0.583	32%	0.323	S	S	*	.	H	α-helix	trans	-57.5	-34.1	-177.4	-174.6	61.2	0	0	0	113.6	S107 E108 M109	H105-S107 VanDerWaalsContact C-N 3.29Å; H105-S107 PolarHBondContact O-N 2.94Å; H105-E108 PolarHBondContact O-N 3.29Å; H105-M109 VanDerWaalsContact O-CB 3.23Å; H105-M109 WeakPolarHBondContact O-CB 3.47Å; H105-M109 WeakPolarHBondContact O-CG 3.49Å; H105-M109 PolarHBondContact O-N 2.8Å
106	G	97.2	Very high	98.2	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-65.3	-26.6	-176.4	0	0	0	0	0	115.1	F104 W110 W458 Y468	F104-G106 PolarHBondContact O-N 3.3Å; F104-G106 VanDerWaalsContact O-N 3.15Å; G106-W110 PolarHBondContact O-NE1 2.79Å; G106-W458 PolarHBondContact O-NE1 2.98Å; G106-Y468 PolarHBondContact O-OH 2.89Å
107	S	98.1	Very high	98.3	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.014	33%	0.334	C	S	.	.	H	α-helix	trans	-94.9	-47.8	170.2	47.8	0	0	0	0	111.2	D98 F101 F104 H105 M109 W110	D98-S107 VanDerWaalsContact OD2-CB 3.24Å; D98-S107 WeakPolarHBondContact OD2-CB 3.4Å; F101-S107 PolarHBondContact O-OG 2.96Å; F104-S107 PolarHBondContact O-N 3.46Å; F104-S107 PolarHBondContact O-OG 3.18Å; F104-S107 VanDerWaalsContact O-OG 3.06Å; H105-S107 VanDerWaalsContact C-N 3.29Å; H105-S107 PolarHBondContact O-N 2.94Å; S107-M109 PolarHBondContact O-N 2.85Å; S107-W110 PolarHBondContact O-N 2.96Å
108	E	98.6	Very high	98.3	Very high	83 Å²	83	58 Å²	58	39%	0.388	32%	0.321	S	S	.	.	H	α-helix	trans	-66.9	-21.7	-172.5	-68.3	-174.7	163	0	0	113.9	G103 F104 H105 W110 N111	G103-E108 WeakPolarHBondContact CA-OE1 3.38Å; G103-E108 PolarHBondContact N-OE1 3.42Å; F104-E108 WeakPolarHBondContact O-CB 3.41Å; F104-E108 WeakPolarHBondContact O-CG 3.26Å; F104-E108 PolarHBondContact O-N 2.89Å; H105-E108 PolarHBondContact O-N 3.29Å; E108-W110 PolarHBondContact O-N 3.34Å; E108-W110 VanDerWaalsContact O-N 3.16Å; E108-N111 WeakPolarHBondContact O-CB 3.41Å; E108-N111 PolarHBondContact O-N 2.7Å; E108-N111 VanDerWaalsContact O-N 3.08Å
109	M	98.5	Very high	98.4	Very high	27 Å²	27	58 Å²	58	13%	0.133	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-20.4	173	67.4	-175.3	-69.3	0	0	113.5	H105 S107 V155 Y468	H105-M109 VanDerWaalsContact O-CB 3.23Å; H105-M109 WeakPolarHBondContact O-CB 3.47Å; H105-M109 WeakPolarHBondContact O-CG 3.49Å; H105-M109 PolarHBondContact O-N 2.8Å; S107-M109 PolarHBondContact O-N 2.85Å; M109-V155 HydrophobicContact CE-CG1 3.48Å; M109-V155 VanDerWaalsContact CE-CG1 3.48Å; M109-Y468 HydrophobicContact CE-CE1 4.23Å; M109-Y468 HydrophobicContact SD-CE1 3.93Å; M109-Y468 PolarHBondContact SD-OH 3.35Å; M109-Y468 VanDerWaalsContact SD-OH 3.38Å
110	W	98.7	Very high	98.4	Very high	65 Å²	65	50.9 Å²	50.9	25%	0.246	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-13.5	177.3	-53.1	108	0	0	0	113.2	G106 S107 E108 L153 V155 Y156 Y468 I470	G106-W110 PolarHBondContact O-NE1 2.79Å; S107-W110 PolarHBondContact O-N 2.96Å; E108-W110 PolarHBondContact O-N 3.34Å; E108-W110 VanDerWaalsContact O-N 3.16Å; W110-L153 HydrophobicContact CE3-CD1 4.11Å; W110-V155 HydrophobicContact CE3-CG2 4.45Å; W110-V155 HydrophobicContact CH2-CG2 4.31Å; W110-V155 HydrophobicContact CZ3-CG2 3.83Å; W110-Y156 HydrophobicContact CZ3-CE1 4.28Å; W110-Y468 HydrophobicContact CZ2-CE2 4.36Å; W110-I470 HydrophobicContact CH2-CD1 4.03Å; W110-I470 HydrophobicContact CZ3-CD1 4.09Å
111	N	98.8	Very high	98.5	Very high	27 Å²	27	47.9 Å²	47.9	14%	0.144	27%	0.266	C	S	.	.	S	Bend	trans	-70.6	149.5	176.9	-78.6	-25.7	0	0	0	110.9	I97 D98 E108 N113 L153	I97-N111 HydrophobicContact CG2-CB 4.16Å; I97-N111 VanDerWaalsContact CG2-CG 3.46Å; I97-N111 WeakPolarHBondContact CG2-ND2 3.34Å; I97-N111 WeakPolarHBondContact CG2-OD1 3.34Å; D98-N111 PolarHBondContact N-OD1 2.67Å; D98-N111 PolarHBondContact O-ND2 2.72Å; E108-N111 WeakPolarHBondContact O-CB 3.41Å; E108-N111 PolarHBondContact O-N 2.7Å; E108-N111 VanDerWaalsContact O-N 3.08Å; N111-N113 PolarHBondContact O-N 3.19Å; N111-L153 WeakPolarHBondContact O-CD2 3.47Å
112	P	98.8	Very high	98.5	Very high	24 Å²	24	47.1 Å²	47.1	16%	0.156	26%	0.263	C	S	.	.			trans	-58.7	129.4	179.3	24.3	-34.3	0	0	0	111.1	Q95 I97 L116 T150	Q95-P112 HydrophobicContact CG-CG 4.37Å; I97-P112 HydrophobicContact CD1-CG 4.35Å; I97-P112 HydrophobicContact CG1-CG 4.17Å; P112-L116 HydrophobicContact CB-CD2 3.78Å; P112-L116 HydrophobicContact CG-CD2 3.76Å; P112-L116 HydrophobicContact CG-CG 4.47Å; P112-T150 HydrophobicContact CB-CG2 4.45Å
113	N	98.7	Very high	98.6	Very high	88 Å²	88	42 Å²	42	47%	0.471	23%	0.229	S	C	.	.	S	Bend	trans	-103.8	12.7	-178.9	67.9	-15.6	0	0	0	113.5	N111 S152	N111-N113 PolarHBondContact O-N 3.19Å; N113-S152 PolarHBondContact ND2-O 3.27Å; N113-S152 WeakPolarHBondContact OD1-CB 3.45Å; N113-S152 PolarHBondContact OD1-O 2.72Å; N113-S152 PolarHBondContact OD1-OG 3.34Å
114	T	98.9	Very high	98.6	Very high	34 Å²	34	39 Å²	39	21%	0.209	20%	0.198	C	C	.	.	S	Bend	trans	-134.6	165.3	171.4	60.8	0	0	0	0	109.4	A90 S92	A90-T114 WeakPolarHBondContact O-CB 3.49Å; A90-T114 PolarHBondContact O-OG1 2.94Å; S92-T114 PolarHBondContact N-OG1 2.91Å; S92-T114 VanDerWaalsContact N-OG1 3.08Å; S92-T114 PolarHBondContact OG-OG1 3.22Å
115	D	98.8	Very high	98.7	Very high	126 Å²	126	37.4 Å²	37.4	67%	0.674	19%	0.191	S	C	*	.			trans	-56.2	143.8	-179.7	-60.7	-45.3	0	0	0	111.9	N91 S92	N91-D115 CarbonylContact C-O 3.55Å; N91-D115 VanDerWaalsContact CA-O 3.25Å; N91-D115 WeakPolarHBondContact CA-O 3.49Å; N91-D115 VanDerWaalsContact CB-O 3.3Å; N91-D115 WeakPolarHBondContact CB-O 3.12Å; S92-D115 PolarHBondContact N-O 2.9Å
116	L	98.9	Very high	98.7	Very high	59 Å²	59	31.4 Å²	31.4	31%	0.309	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	128	174.6	-63.2	-172.1	0	0	0	110.5	S92 Q95 I97 P112	S92-L116 WeakPolarHBondContact O-CA 3.24Å; Q95-L116 HydrophobicContact CG-CD1 4.46Å; Q95-L116 HydrophobicContact CG-CD2 4.04Å; Q95-L116 WeakPolarHBondContact O-CD1 3.4Å; I97-L116 HydrophobicContact CD1-CD1 4.18Å; I97-L116 HydrophobicContact CG1-CD1 4.35Å; P112-L116 HydrophobicContact CB-CD2 3.78Å; P112-L116 HydrophobicContact CG-CD2 3.76Å; P112-L116 HydrophobicContact CG-CG 4.47Å
117	S	98.9	Very high	98.8	Very high	34 Å²	34	31.7 Å²	31.7	24%	0.238	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	152.8	176.7	-175.4	0	0	0	0	111.4	S92 C93 C94 D119 C120	S92-S117 PolarHBondContact O-N 3.17Å; C93-S117 WeakPolarHBondContact CA-O 3.07Å; C94-S117 PolarHBondContact N-O 2.79Å; S117-D119 VanDerWaalsContact C-N 3.25Å; S117-D119 PolarHBondContact OG-N 2.91Å; S117-D119 VanDerWaalsContact OG-N 3.08Å; S117-C120 WeakPolarHBondContact O-CB 3.36Å
118	E	98.8	Very high	98.8	Very high	24 Å²	24	31.7 Å²	31.7	11%	0.112	16%	0.164	C	C	.	.	S	Bend	trans	-71.6	-24.7	166.4	-70.3	-170.2	90.8	0	0	111.9	P65 L66 R70 C120 L179 P297	P65-E118 VanDerWaalsContact CD-O 3.3Å; P65-E118 WeakPolarHBondContact CD-O 3.32Å; P65-E118 WeakPolarHBondContact CG-O 3.47Å; L66-E118 HydrophobicContact CD2-CB 3.58Å; R70-E118 WeakPolarHBondContact CD-OE1 3.48Å; R70-E118 WeakPolarHBondContact CG-OE1 3.46Å; R70-E118 IonicContact CZ-OE1 3.85Å; R70-E118 IonicContact CZ-OE2 3.16Å; R70-E118 IonicContact NE-OE1 2.77Å; R70-E118 PolarHBondContact NE-OE1 3.28Å; R70-E118 IonicContact NE-OE2 2.7Å; R70-E118 PolarHBondContact NE-OE2 3.33Å; R70-E118 IonicContact NH2-OE1 2.7Å; R70-E118 IonicContact NH2-OE2 2.88Å; R70-E118 PolarHBondContact NH2-OE2 2.84Å; E118-C120 PolarHBondContact O-N 3.09Å; E118-L179 HydrophobicContact CG-CD1 4.32Å; E118-P297 HydrophobicContact CG-CG 4Å; E118-P297 WeakPolarHBondContact OE2-CG 3.23Å
119	D	98.8	Very high	98.7	Very high	39 Å²	39	29 Å²	29	21%	0.209	16%	0.157	C	C	.	.			trans	-78.5	79.5	166.2	-175.9	10.1	0	0	0	109.2	P64 L66 N91 S117 Y122	P64-D119 HydrophobicContact CB-CB 4.05Å; P64-D119 WeakPolarHBondContact CG-OD1 3.21Å; L66-D119 HydrophobicContact CD2-CB 4.4Å; N91-D119 PolarHBondContact ND2-O 3.31Å; S117-D119 VanDerWaalsContact C-N 3.25Å; S117-D119 PolarHBondContact OG-N 2.91Å; S117-D119 VanDerWaalsContact OG-N 3.08Å; D119-Y122 VanDerWaalsContact OD1-CE2 3.25Å; D119-Y122 WeakPolarHBondContact OD1-CE2 3.44Å; D119-Y122 PolarHBondContact OD1-OH 3.27Å; D119-Y122 PolarHBondContact OD2-OH 2.81Å
120	C	98.9	Very high	98.6	Very high	1 Å²	1	33 Å²	33	1%	0.007	18%	0.184	C	C	.	.			trans	-130	1.8	-174.7	67.4	0	0	0	0	114.6	C93 S117 E118 Y122 N173	C93-C120 VanDerWaalsContact CA-CB 3.48Å; C93-C120 WeakPolarHBondContact CA-SG 3.21Å; C93-C120 HydrophobicContact CB-CB 3.82Å; C93-C120 WeakPolarHBondContact CB-SG 3.32Å; C93-C120 WeakPolarHBondContact SG-CB 3.5Å; C93-C120 CovalentContact SG-SG 2.04Å; C93-C120 PolarHBondContact SG-SG 2.96Å; S117-C120 WeakPolarHBondContact O-CB 3.36Å; E118-C120 PolarHBondContact O-N 3.09Å; C120-Y122 VanDerWaalsContact C-CD2 3.42Å; C120-Y122 VanDerWaalsContact C-N 3.26Å; C120-Y122 PolarHBondContact O-N 3.12Å; C120-N173 WeakPolarHBondContact O-CB 3.35Å
121	L	98.9	Very high	98.6	Very high	2 Å²	2	35 Å²	35	1%	0.01	20%	0.195	C	C	.	.			trans	-80.6	69.6	-174.1	-57.3	-172	0	0	0	112.8	Y61 A62 P65 P74 R175 D198	Y61-L121 VanDerWaalsContact CD1-O 3.3Å; Y61-L121 WeakPolarHBondContact CD1-O 3.13Å; Y61-L121 HydrophobicContact CE1-CB 4.1Å; Y61-L121 WeakPolarHBondContact CE1-O 3.43Å; Y61-L121 HydrophobicContact CE2-CB 4.3Å; Y61-L121 PolarHBondContact N-O 2.87Å; Y61-L121 VanDerWaalsContact N-O 3.17Å; A62-L121 HydrophobicContact CB-CB 3.87Å; A62-L121 HydrophobicContact CB-CD1 3.58Å; A62-L121 HydrophobicContact CB-CG 4.39Å; P65-L121 HydrophobicContact CB-CD1 4.36Å; P65-L121 HydrophobicContact CG-CD1 3.86Å; P65-L121 HydrophobicContact CG-CG 4.07Å; P74-L121 HydrophobicContact CB-CD1 4.07Å; L121-R175 HydrophobicContact CD2-CG 4.18Å; L121-D198 HydrophobicContact CD2-CB 4.13Å; L121-D198 WeakPolarHBondContact CD2-OD2 3.23Å
122	Y	98.9	Very high	98.5	Very high	21 Å²	21	35 Å²	35	8%	0.082	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	157.6	-179.4	-59.8	-94.1	0	0	0	111.7	G58 I59 P60 Y61 W84 A90 D119 C120 N173	G58-Y122 WeakPolarHBondContact O-CD1 3.41Å; I59-Y122 CarbonylContact O-C 3.44Å; I59-Y122 VanDerWaalsContact O-CA 3.28Å; I59-Y122 WeakPolarHBondContact O-CA 3.43Å; P60-Y122 HydrophobicContact CB-CD1 3.86Å; P60-Y122 HydrophobicContact CB-CE1 3.66Å; P60-Y122 HydrophobicContact CG-CE1 4.29Å; Y61-Y122 WeakPolarHBondContact CE1-O 3.35Å; W84-Y122 AromaticContact CH2-CE1 4Å; W84-Y122 HydrophobicContact CH2-CE1 4Å; W84-Y122 HydrophobicContact CZ2-CD1 4.36Å; W84-Y122 AromaticContact CZ2-CE1 3.62Å; W84-Y122 HydrophobicContact CZ2-CE1 3.62Å; A90-Y122 HydrophobicContact CB-CD1 3.91Å; A90-Y122 HydrophobicContact CB-CD2 3.44Å; A90-Y122 VanDerWaalsContact CB-CD2 3.44Å; A90-Y122 HydrophobicContact CB-CE2 4.17Å; A90-Y122 HydrophobicContact CB-CG 3.33Å; D119-Y122 VanDerWaalsContact OD1-CE2 3.25Å; D119-Y122 WeakPolarHBondContact OD1-CE2 3.44Å; D119-Y122 PolarHBondContact OD1-OH 3.27Å; D119-Y122 PolarHBondContact OD2-OH 2.81Å; C120-Y122 VanDerWaalsContact C-CD2 3.42Å; C120-Y122 VanDerWaalsContact C-N 3.26Å; C120-Y122 PolarHBondContact O-N 3.12Å; Y122-N173 PolarHBondContact O-N 3.07Å
123	L	98.9	Very high	98.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	160.2	174.5	61.6	79.5	0	0	0	112	G58 I59 Y61 V125 S171 M172 A202 W205	G58-L123 PolarHBondContact N-O 3.42Å; I59-L123 HydrophobicContact CB-CD1 3.95Å; I59-L123 HydrophobicContact CB-CG 4.46Å; I59-L123 HydrophobicContact CD1-CD1 4.17Å; I59-L123 HydrophobicContact CG1-CD1 4.46Å; I59-L123 PolarHBondContact N-O 3.37Å; I59-L123 PolarHBondContact O-N 2.88Å; Y61-L123 HydrophobicContact CD1-CB 4.07Å; Y61-L123 HydrophobicContact CD1-CD2 3.93Å; Y61-L123 HydrophobicContact CD1-CG 4.1Å; Y61-L123 HydrophobicContact CG-CD2 4.04Å; L123-V125 HydrophobicContact CD1-CG2 3.75Å; L123-S171 CarbonylContact C-O 3.44Å; L123-S171 WeakPolarHBondContact CA-O 3.41Å; L123-S171 VanDerWaalsContact CB-O 3.23Å; L123-S171 WeakPolarHBondContact CB-O 3.49Å; L123-M172 HydrophobicContact CB-CB 3.88Å; L123-A202 HydrophobicContact CD2-CB 4.26Å; L123-W205 HydrophobicContact CD1-CD2 4.36Å; L123-W205 HydrophobicContact CD1-CE3 3.93Å; L123-W205 HydrophobicContact CD1-CH2 3.85Å; L123-W205 HydrophobicContact CD1-CZ2 4.26Å; L123-W205 HydrophobicContact CD1-CZ3 3.67Å; L123-W205 HydrophobicContact CD2-CB 4.27Å; L123-W205 HydrophobicContact CD2-CD2 3.7Å; L123-W205 HydrophobicContact CD2-CE3 3.54Å; L123-W205 HydrophobicContact CD2-CG 4.01Å; L123-W205 HydrophobicContact CD2-CZ3 4.15Å; L123-W205 HydrophobicContact CG-CE3 4.4Å
124	N	99	Very high	98.4	Very high	3 Å²	3	44.2 Å²	44.2	2%	0.016	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	146.5	179.9	-49.1	-62.7	0	0	0	109.6	F56 L57 G58 W126 S151 V170 S171	F56-N124 CarbonylContact O-C 3.5Å; F56-N124 VanDerWaalsContact O-CA 3.29Å; F56-N124 WeakPolarHBondContact O-CA 3.41Å; L57-N124 WeakPolarHBondContact CA-OD1 3.01Å; L57-N124 HydrophobicContact CD2-CB 3.91Å; G58-N124 PolarHBondContact N-OD1 3.36Å; N124-W126 HydrophobicContact CB-CE3 4.28Å; N124-W126 HydrophobicContact CB-CH2 3.41Å; N124-W126 VanDerWaalsContact CB-CH2 3.41Å; N124-W126 HydrophobicContact CB-CZ2 4.21Å; N124-W126 HydrophobicContact CB-CZ3 3.46Å; N124-W126 VanDerWaalsContact CB-CZ3 3.46Å; N124-S151 PolarHBondContact ND2-OG 2.88Å; N124-V170 WeakPolarHBondContact O-CA 3.36Å; N124-V170 WeakPolarHBondContact O-CG1 3.3Å; N124-S171 PolarHBondContact N-O 3.5Å; N124-S171 PolarHBondContact ND2-OG 3.34Å; N124-S171 VanDerWaalsContact ND2-OG 3.13Å; N124-S171 PolarHBondContact O-N 3.31Å; N124-S171 VanDerWaalsContact O-N 3.11Å
125	V	98.9	Very high	98.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	122.6	178.7	-173.1	0	0	0	0	110	A55 F56 I59 L123 I127 I168 V169 V170 W205 I210 F213	A55-V125 CarbonylContact C-O 3.48Å; A55-V125 WeakPolarHBondContact CA-O 3.24Å; F56-V125 HydrophobicContact CB-CB 4.39Å; F56-V125 PolarHBondContact N-O 3.1Å; F56-V125 PolarHBondContact O-N 3.42Å; I59-V125 HydrophobicContact CD1-CG2 4.08Å; L123-V125 HydrophobicContact CD1-CG2 3.75Å; V125-I127 HydrophobicContact CG1-CG2 3.9Å; V125-I168 HydrophobicContact CG1-CG2 3.79Å; V125-V169 WeakPolarHBondContact CA-O 3.37Å; V125-V170 HydrophobicContact CG1-CG2 4.37Å; V125-V170 HydrophobicContact CG2-CG2 4.29Å; V125-W205 HydrophobicContact CG2-CH2 4.1Å; V125-W205 HydrophobicContact CG2-CZ3 4.12Å; V125-I210 HydrophobicContact CG1-CD1 4.18Å; V125-F213 HydrophobicContact CG1-CD1 4.03Å; V125-F213 HydrophobicContact CG1-CG 4.36Å
126	W	98.9	Very high	98.4	Very high	1 Å²	1	37.9 Å²	37.9	0%	0.004	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	123.9	171	-64.2	-101.5	0	0	0	110	V53 L57 Y89 N124 D157 A162 I168 V169 S171	V53-W126 HydrophobicContact CG1-CB 4.12Å; L57-W126 HydrophobicContact CD2-CH2 4.3Å; L57-W126 HydrophobicContact CD2-CZ2 3.7Å; Y89-W126 HydrophobicContact CE1-CH2 4.19Å; Y89-W126 AromaticContact CE1-CZ2 3.96Å; Y89-W126 HydrophobicContact CE1-CZ2 3.96Å; Y89-W126 WeakPolarHBondContact OH-CZ2 3.36Å; N124-W126 HydrophobicContact CB-CE3 4.28Å; N124-W126 HydrophobicContact CB-CH2 3.41Å; N124-W126 VanDerWaalsContact CB-CH2 3.41Å; N124-W126 HydrophobicContact CB-CZ2 4.21Å; N124-W126 HydrophobicContact CB-CZ3 3.46Å; N124-W126 VanDerWaalsContact CB-CZ3 3.46Å; W126-D157 PolarHBondContact NE1-OD1 3.49Å; W126-A162 HydrophobicContact CB-CB 3.95Å; W126-I168 WeakPolarHBondContact O-CA 3.23Å; W126-V169 HydrophobicContact CB-CB 4.44Å; W126-V169 HydrophobicContact CE3-CB 4.21Å; W126-V169 HydrophobicContact CE3-CG1 4.22Å; W126-V169 PolarHBondContact N-O 3.05Å; W126-V169 PolarHBondContact O-N 3.11Å; W126-V169 VanDerWaalsContact O-N 3.11Å; W126-S171 WeakPolarHBondContact CZ3-OG 3.45Å
127	I	98.8	Very high	98.4	Very high	5 Å²	5	35 Å²	35	3%	0.026	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	137.9	178.4	67.9	173.3	0	0	0	111	V53 T54 F56 V125 K131 I168 F213	V53-I127 WeakPolarHBondContact CA-O 3.5Å; V53-I127 WeakPolarHBondContact CG1-O 3.44Å; T54-I127 HydrophobicContact CG2-CD1 4.22Å; T54-I127 HydrophobicContact CG2-CG1 4.23Å; T54-I127 PolarHBondContact N-O 2.99Å; T54-I127 WeakPolarHBondContact O-CG1 3.48Å; T54-I127 PolarHBondContact O-N 3.4Å; F56-I127 HydrophobicContact CE2-CD1 3.95Å; F56-I127 HydrophobicContact CE2-CG1 4.36Å; V125-I127 HydrophobicContact CG1-CG2 3.9Å; I127-K131 HydrophobicContact CD1-CG 4.46Å; I127-I168 HydrophobicContact CB-CG1 4.47Å; I127-I168 HydrophobicContact CG2-CD1 3.89Å; I127-I168 HydrophobicContact CG2-CG1 4.03Å; I127-I168 HydrophobicContact CG2-CG2 4.27Å; I127-F213 HydrophobicContact CG2-CB 4.08Å; I127-F213 HydrophobicContact CG2-CD1 4.36Å
128	P	98.4	Very high	98.4	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.013	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	142	173.9	25.3	-29.9	0	0	0	110.4	P130 P132 A162 R166 V167	P128-P130 CarbonylContact O-C 3.56Å; P128-P130 VanDerWaalsContact O-C 3.29Å; P128-P132 HydrophobicContact CG-CB 4.34Å; P128-P132 HydrophobicContact CG-CG 3.89Å; P128-P132 WeakPolarHBondContact O-CD 3.29Å; P128-A162 WeakPolarHBondContact CB-O 3.46Å; P128-R166 HydrophobicContact CB-CB 4.49Å; P128-R166 HydrophobicContact CG-CB 4.43Å; P128-V167 WeakPolarHBondContact CD-O 3.46Å
129	A	96.9	Very high	98.4	Very high	28 Å²	28	32.4 Å²	32.4	23%	0.231	17%	0.17	C	C	.	.	S	Bend	trans	-99.3	141	168.7	0	0	0	0	0	111	T52 R166	T52-A129 HydrophobicContact CG2-CB 4.12Å; T52-A129 WeakPolarHBondContact O-CB 3.24Å; T52-A129 PolarHBondContact O-N 2.93Å; T52-A129 VanDerWaalsContact O-N 3.16Å; A129-R166 VanDerWaalsContact C-NH2 3.31Å; A129-R166 PolarHBondContact O-NH2 2.86Å
130	P	97	Very high	98.4	Very high	109 Å²	109	30.5 Å²	30.5	71%	0.708	16%	0.16	S	C	*	.	S	Bend	cis	-63.2	153.2	-9.6	29.5	-36.4	0	0	0	111.7	P128	P128-P130 CarbonylContact O-C 3.56Å; P128-P130 VanDerWaalsContact O-C 3.29Å
131	K	97.6	Very high	98.4	Very high	108 Å²	108	30.5 Å²	30.5	47%	0.47	16%	0.16	S	C	.	.	P	Polyproline II helix	trans	-48.8	127.8	-175.9	-176.6	-178	-179.8	-179.2	0	110.9	I127 A212 F213	I127-K131 HydrophobicContact CD1-CG 4.46Å; K131-A212 WeakPolarHBondContact CE-O 3.46Å; K131-A212 PolarHBondContact NZ-O 3.29Å; K131-F213 VanDerWaalsContact CE-C 3.48Å
132	P	97.9	Very high	98.4	Very high	26 Å²	26	30.4 Å²	30.4	17%	0.169	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-71.9	163.7	-179.4	30.8	-33.8	0	0	0	111.2	P128 A135 I168 G214	P128-P132 HydrophobicContact CG-CB 4.34Å; P128-P132 HydrophobicContact CG-CG 3.89Å; P128-P132 WeakPolarHBondContact O-CD 3.29Å; P132-A135 HydrophobicContact CB-CB 3.65Å; P132-A135 HydrophobicContact CG-CB 3.74Å; P132-I168 HydrophobicContact CG-CD1 4.23Å; P132-I168 HydrophobicContact CG-CG1 4.28Å; P132-G214 WeakPolarHBondContact O-CA 3.37Å
133	K	96	Very high	98.4	Very high	206 Å²	206	29.5 Å²	29.5	90%	0.896	16%	0.157	S	C	*	.	S	Bend	trans	-89.8	-40.7	176.1	-67.5	-173	179.2	-177.7	0	113.3	G214	K133-G214 CarbonylContact C-O 3.29Å
134	N	98	Very high	98.4	Very high	101 Å²	101	30.8 Å²	30.8	54%	0.54	17%	0.17	S	C	.	.	S	Bend	trans	-156.1	47.9	-172.5	-158.7	35.1	0	0	0	111.1	G214 N216	N134-G214 CarbonylContact C-O 3.51Å; N134-G214 WeakPolarHBondContact CA-O 3.25Å; N134-G214 PolarHBondContact N-O 3.33Å; N134-G214 VanDerWaalsContact N-O 3.17Å; N134-N216 PolarHBondContact ND2-ND2 2.87Å; N134-N216 WeakPolarHBondContact OD1-CA 3.41Å; N134-N216 WeakPolarHBondContact OD1-CB 3.41Å; N134-N216 VanDerWaalsContact OD1-CG 3.26Å
135	A	98.8	Very high	98.3	Very high	12 Å²	12	31.7 Å²	31.7	10%	0.099	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	144.6	-175.3	0	0	0	0	0	112	P132 I168 G214 G215 N216	P132-A135 HydrophobicContact CB-CB 3.65Å; P132-A135 HydrophobicContact CG-CB 3.74Å; A135-I168 HydrophobicContact CB-CG1 4.18Å; A135-G214 PolarHBondContact N-O 3.43Å; A135-G215 CarbonylContact O-C 3.56Å; A135-G215 WeakPolarHBondContact O-CA 3.35Å; A135-N216 PolarHBondContact O-N 2.78Å
136	T	98.9	Very high	98.3	Very high	14 Å²	14	31.7 Å²	31.7	9%	0.086	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	142.6	165.3	-69.7	0	0	0	0	110.3	V167 I168 S219 A503 K504	T136-V167 WeakPolarHBondContact O-CA 3.12Å; T136-V167 WeakPolarHBondContact O-CB 3.28Å; T136-I168 PolarHBondContact O-N 3.45Å; T136-S219 WeakPolarHBondContact CA-O 3.42Å; T136-S219 PolarHBondContact OG1-OG 3.47Å; T136-A503 HydrophobicContact CG2-CB 3.68Å; T136-K504 HydrophobicContact CG2-CG 4.22Å; T136-K504 WeakPolarHBondContact OG1-CG 3.44Å
137	V	98.9	Very high	98.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	127.3	-179.3	-172.3	0	0	0	0	109	I139 I168 V170 V206 I210 S219 V220 T221	V137-I139 HydrophobicContact CG1-CG1 4Å; V137-I168 CarbonylContact C-O 3.54Å; V137-I168 WeakPolarHBondContact CA-O 3.42Å; V137-I168 HydrophobicContact CG1-CG2 4.36Å; V137-I168 HydrophobicContact CG2-CB 4.38Å; V137-V170 HydrophobicContact CG1-CG2 3.84Å; V137-V206 HydrophobicContact CG1-CG1 4.27Å; V137-I210 HydrophobicContact CG1-CG1 4.24Å; V137-I210 HydrophobicContact CG2-CG1 3.76Å; V137-I210 HydrophobicContact CG2-CG2 4.21Å; V137-S219 PolarHBondContact N-O 2.78Å; V137-V220 HydrophobicContact CB-CG2 4.13Å; V137-V220 HydrophobicContact CG2-CG2 4.41Å; V137-V220 CarbonylContact O-C 3.47Å; V137-V220 WeakPolarHBondContact O-CA 3.24Å; V137-T221 PolarHBondContact O-N 3.03Å
138	L	98.9	Very high	98.3	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	128	167.3	-75.1	170.3	0	0	0	108.1	L161 V167 I168 V169 V170 T221 F223 A503	L138-L161 HydrophobicContact CD1-CD2 4.41Å; L138-V167 HydrophobicContact CD1-CB 4.49Å; L138-V167 HydrophobicContact CD1-CG2 3.89Å; L138-I168 PolarHBondContact N-O 3.49Å; L138-V169 CarbonylContact O-C 3.59Å; L138-V169 WeakPolarHBondContact O-CA 3.25Å; L138-V170 PolarHBondContact O-N 3.49Å; L138-T221 WeakPolarHBondContact CA-O 3.23Å; L138-T221 HydrophobicContact CD2-CG2 4.1Å; L138-F223 HydrophobicContact CB-CD1 4.08Å; L138-F223 HydrophobicContact CB-CE1 3.73Å; L138-F223 HydrophobicContact CB-CZ 4.45Å; L138-F223 HydrophobicContact CD2-CD1 4.23Å; L138-A503 HydrophobicContact CD2-CB 3.58Å; L138-A503 HydrophobicContact CG-CB 4.27Å
139	I	99	Very high	98.3	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	114.1	177.7	-53.5	-179.4	0	0	0	108.9	V137 V170 M172 L203 V206 V220 T221 L222 F223	V137-I139 HydrophobicContact CG1-CG1 4Å; I139-V170 CarbonylContact C-O 3.58Å; I139-V170 VanDerWaalsContact CA-O 3.32Å; I139-V170 WeakPolarHBondContact CA-O 3.42Å; I139-V170 HydrophobicContact CG1-CB 4.2Å; I139-V170 HydrophobicContact CG2-CB 4.42Å; I139-V170 HydrophobicContact CG2-CG1 4.48Å; I139-M172 HydrophobicContact CG2-CE 3.3Å; I139-L203 HydrophobicContact CD1-CD2 3.51Å; I139-L203 HydrophobicContact CG2-CD2 4Å; I139-V206 HydrophobicContact CD1-CB 4.15Å; I139-V206 HydrophobicContact CD1-CG1 4Å; I139-V206 HydrophobicContact CD1-CG2 3.91Å; I139-V220 HydrophobicContact CD1-CG1 3.34Å; I139-V220 HydrophobicContact CG1-CG1 3.86Å; I139-T221 PolarHBondContact N-O 3.45Å; I139-L222 HydrophobicContact CB-CD2 4Å; I139-L222 HydrophobicContact CD1-CD2 4.13Å; I139-L222 HydrophobicContact CG2-CD2 4.46Å; I139-F223 VanDerWaalsContact C-CD1 3.45Å; I139-F223 VanDerWaalsContact C-CE1 3.5Å; I139-F223 VanDerWaalsContact O-CD1 3.23Å; I139-F223 WeakPolarHBondContact O-CD1 3.48Å; I139-F223 PolarHBondContact O-N 2.99Å
140	W	99	Very high	98.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	128.3	178.2	178.2	-115.1	0	0	0	111.3	Y156 V170 F223 E225 I470 F474	W140-Y156 AromaticContact CE2-CD1 3.69Å; W140-Y156 AromaticContact CE2-CE1 3.82Å; W140-Y156 HydrophobicContact CH2-CE1 4.34Å; W140-Y156 AromaticContact CZ2-CD1 3.63Å; W140-Y156 HydrophobicContact CZ2-CD1 3.63Å; W140-Y156 AromaticContact CZ2-CE1 3.35Å; W140-Y156 HydrophobicContact CZ2-CE1 3.35Å; W140-Y156 HydrophobicContact CZ2-CG 4.38Å; W140-Y156 AromaticContact CZ2-CZ 3.86Å; W140-Y156 AromaticContact NE1-CD1 3.51Å; W140-Y156 AromaticContact NE1-CD2 3.45Å; W140-Y156 AromaticContact NE1-CE1 3.82Å; W140-Y156 AromaticContact NE1-CE2 3.74Å; W140-Y156 AromaticContact NE1-CG 3.34Å; W140-Y156 VanDerWaalsContact NE1-CG 3.34Å; W140-Y156 AromaticContact NE1-CZ 3.93Å; W140-V170 PolarHBondContact N-O 2.9Å; W140-F223 VanDerWaalsContact CA-O 3.25Å; W140-F223 WeakPolarHBondContact CA-O 3.25Å; W140-F223 HydrophobicContact CB-CD1 4.37Å; W140-F223 HydrophobicContact CB-CE1 3.63Å; W140-F223 HydrophobicContact CB-CZ 3.79Å; W140-F223 HydrophobicContact CD2-CE2 4.36Å; W140-F223 HydrophobicContact CD2-CZ 4.32Å; W140-F223 HydrophobicContact CE3-CD1 4.27Å; W140-F223 AromaticContact CE3-CD2 3.53Å; W140-F223 HydrophobicContact CE3-CD2 3.53Å; W140-F223 HydrophobicContact CE3-CE1 4.16Å; W140-F223 AromaticContact CE3-CE2 3.43Å; W140-F223 HydrophobicContact CE3-CE2 3.43Å; W140-F223 VanDerWaalsContact CE3-CE2 3.43Å; W140-F223 AromaticContact CE3-CG 3.94Å; W140-F223 HydrophobicContact CE3-CG 3.94Å; W140-F223 AromaticContact CE3-CZ 3.76Å; W140-F223 HydrophobicContact CE3-CZ 3.76Å; W140-F223 HydrophobicContact CG-CZ 4.39Å; W140-F223 AromaticContact CZ3-CD2 3.82Å; W140-F223 HydrophobicContact CZ3-CD2 3.82Å; W140-F223 AromaticContact CZ3-CE2 3.94Å; W140-F223 HydrophobicContact CZ3-CE2 3.94Å; W140-F223 HydrophobicContact CZ3-CG 4.47Å; W140-F223 VanDerWaalsContact N-CE1 3.33Å; W140-E225 HydrophobicContact CH2-CB 3.54Å; W140-E225 HydrophobicContact CZ2-CB 4.32Å; W140-E225 HydrophobicContact CZ3-CB 4.34Å; W140-I470 HydrophobicContact CH2-CD1 4.2Å; W140-I470 HydrophobicContact CH2-CG1 4.29Å; W140-I470 HydrophobicContact CH2-CG2 4.47Å; W140-I470 HydrophobicContact CZ2-CD1 4.34Å; W140-F474 HydrophobicContact CB-CZ 4.15Å; W140-F474 AromaticContact CD2-CE2 3.88Å; W140-F474 HydrophobicContact CD2-CE2 3.88Å; W140-F474 AromaticContact CD2-CZ 3.55Å; W140-F474 HydrophobicContact CD2-CZ 3.55Å; W140-F474 AromaticContact CE3-CE2 3.78Å; W140-F474 HydrophobicContact CE3-CE2 3.78Å; W140-F474 AromaticContact CE3-CZ 3.77Å; W140-F474 HydrophobicContact CE3-CZ 3.77Å; W140-F474 AromaticContact CG-CZ 3.72Å; W140-F474 HydrophobicContact CG-CZ 3.72Å; W140-F474 HydrophobicContact CH2-CE2 4.09Å; W140-F474 HydrophobicContact CZ2-CE2 4.21Å; W140-F474 AromaticContact CZ3-CE2 3.88Å; W140-F474 HydrophobicContact CZ3-CE2 3.88Å; W140-F474 HydrophobicContact CZ3-CZ 4.35Å
141	I	99	Very high	98.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	117.5	166.5	-51.4	-170.8	0	0	0	107.8	M172 Y174 Q199 F223 G224 G228 D232	I141-M172 HydrophobicContact CG1-CE 4.12Å; I141-M172 HydrophobicContact CG1-SD 4.02Å; I141-Y174 HydrophobicContact CG2-CD1 4.28Å; I141-Y174 HydrophobicContact CG2-CE1 3.78Å; I141-Q199 HydrophobicContact CD1-CB 4.47Å; I141-Q199 HydrophobicContact CD1-CG 4.42Å; I141-Q199 HydrophobicContact CG2-CG 4.32Å; I141-F223 PolarHBondContact N-O 3.01Å; I141-G224 WeakPolarHBondContact O-CA 3.37Å; I141-G228 WeakPolarHBondContact O-CA 3.39Å; I141-D232 VanDerWaalsContact CD1-OD1 3.31Å; I141-D232 WeakPolarHBondContact CD1-OD1 3.03Å
142	Y	98.9	Very high	98.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.133	C	C	.	.			trans	-74.8	152.9	-178.8	58.5	-106.8	0	0	0	112.8	G149 M172 Y174 V176 G228	Y142-G149 WeakPolarHBondContact CE2-O 3.43Å; Y142-M172 WeakPolarHBondContact CE1-O 3.47Å; Y142-Y174 HydrophobicContact CD1-CE1 4.31Å; Y142-Y174 AromaticContact CD2-CE1 3.62Å; Y142-Y174 HydrophobicContact CD2-CE1 3.62Å; Y142-Y174 AromaticContact CD2-CZ 3.98Å; Y142-Y174 HydrophobicContact CE1-CD1 4.07Å; Y142-Y174 HydrophobicContact CE1-CE1 4.06Å; Y142-Y174 AromaticContact CE2-CD1 3.9Å; Y142-Y174 HydrophobicContact CE2-CD1 3.9Å; Y142-Y174 AromaticContact CE2-CE1 3.3Å; Y142-Y174 HydrophobicContact CE2-CE1 3.3Å; Y142-Y174 HydrophobicContact CE2-CE2 4.42Å; Y142-Y174 AromaticContact CE2-CZ 3.6Å; Y142-Y174 HydrophobicContact CG-CE1 4.12Å; Y142-Y174 AromaticContact CZ-CD1 3.64Å; Y142-Y174 AromaticContact CZ-CE1 3.54Å; Y142-Y174 PolarHBondContact O-OH 3.17Å; Y142-Y174 PolarHBondContact OH-N 3.4Å; Y142-Y174 VanDerWaalsContact OH-N 3.08Å; Y142-Y174 PolarHBondContact OH-O 3.43Å; Y142-V176 HydrophobicContact CE2-CG1 4.3Å; Y142-G228 WeakPolarHBondContact O-CA 3.44Å
143	G	98.8	Very high	98.6	Very high	3 Å²	3	22.4 Å²	22.4	3%	0.031	13%	0.126	C	C	.	.			trans	-85.9	-160.7	170.7	0	0	0	0	0	114.1	E225	G143-E225 WeakPolarHBondContact CA-O 3.21Å; G143-E225 PolarHBondContact N-O 3.47Å
144	G	98.3	Very high	98.8	Very high	27 Å²	27	17.5 Å²	17.5	28%	0.278	11%	0.107	S	C	.	.	S	Bend	trans	117.3	31.6	-174.2	0	0	0	0	0	113.9	F146 Q147 T148	G144-F146 PolarHBondContact O-N 2.8Å; G144-Q147 PolarHBondContact O-N 3.36Å; G144-T148 PolarHBondContact O-N 3.11Å; G144-T148 PolarHBondContact O-OG1 3.19Å
145	G	97.9	Very high	98.8	Very high	21 Å²	21	13.1 Å²	13.1	22%	0.216	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	57	25.4	175.9	0	0	0	0	0	114.5	Q147 V316	G145-Q147 WeakPolarHBondContact O-CG 3.34Å; G145-Q147 PolarHBondContact O-N 3.23Å; G145-Q147 PolarHBondContact O-NE2 2.89Å; G145-V316 WeakPolarHBondContact O-CG2 3.25Å
146	F	98.9	Very high	98.8	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	5.8	-170.4	-52.4	-79.1	0	0	0	115.4	G144 V176 G177 F181 A227 A230 S231 W259 V316 P320	G144-F146 PolarHBondContact O-N 2.8Å; F146-V176 CarbonylContact O-C 3.11Å; F146-V176 VanDerWaalsContact O-CA 3.32Å; F146-V176 WeakPolarHBondContact O-CA 3.47Å; F146-V176 VanDerWaalsContact O-CB 3.23Å; F146-V176 WeakPolarHBondContact O-CB 3.39Å; F146-G177 PolarHBondContact O-N 3.23Å; F146-F181 HydrophobicContact CB-CD2 4.2Å; F146-F181 HydrophobicContact CB-CE2 3.84Å; F146-F181 HydrophobicContact CB-CZ 4.24Å; F146-F181 HydrophobicContact CD1-CE1 4.28Å; F146-F181 HydrophobicContact CD1-CE2 4.05Å; F146-F181 AromaticContact CD1-CZ 3.63Å; F146-F181 HydrophobicContact CD1-CZ 3.63Å; F146-F181 HydrophobicContact CE1-CZ 4.37Å; F146-F181 HydrophobicContact CG-CE2 4.37Å; F146-F181 HydrophobicContact CG-CZ 4.28Å; F146-A227 HydrophobicContact CD1-CB 4.04Å; F146-A227 HydrophobicContact CD2-CB 3.84Å; F146-A227 HydrophobicContact CE1-CB 4Å; F146-A227 WeakPolarHBondContact CE1-O 3.47Å; F146-A227 HydrophobicContact CE2-CB 3.79Å; F146-A227 HydrophobicContact CG-CB 3.97Å; F146-A227 HydrophobicContact CZ-CB 3.88Å; F146-A227 WeakPolarHBondContact CZ-O 3.37Å; F146-A230 HydrophobicContact CE2-CB 4.48Å; F146-A230 HydrophobicContact CZ-CB 3.98Å; F146-S231 WeakPolarHBondContact CE1-OG 3.3Å; F146-W259 HydrophobicContact CE2-CE3 4.34Å; F146-W259 AromaticContact CE2-CZ3 3.94Å; F146-W259 HydrophobicContact CE2-CZ3 3.94Å; F146-V316 HydrophobicContact CB-CG1 4.27Å; F146-V316 HydrophobicContact CD2-CG1 3.9Å; F146-V316 HydrophobicContact CD2-CG2 4.48Å; F146-P320 HydrophobicContact CD1-CG 4.25Å; F146-P320 HydrophobicContact CD2-CG 4.41Å; F146-P320 HydrophobicContact CE1-CG 3.76Å; F146-P320 HydrophobicContact CE2-CG 3.94Å; F146-P320 HydrophobicContact CZ-CG 3.59Å
147	Q	98.8	Very high	98.8	Very high	25 Å²	25	12.8 Å²	12.8	12%	0.117	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-27.5	179.9	-51.1	-42.6	-77.8	0	0	112	Q95 G144 G145 V176 F318	Q95-Q147 WeakPolarHBondContact CB-O 3.44Å; G144-Q147 PolarHBondContact O-N 3.36Å; G145-Q147 WeakPolarHBondContact O-CG 3.34Å; G145-Q147 PolarHBondContact O-N 3.23Å; G145-Q147 PolarHBondContact O-NE2 2.89Å; Q147-V176 VanDerWaalsContact O-CG2 3.3Å; Q147-V176 WeakPolarHBondContact O-CG2 3.44Å; Q147-F318 PolarHBondContact NE2-O 3.3Å
148	T	98.8	Very high	98.8	Very high	47 Å²	47	12.8 Å²	12.8	29%	0.288	8%	0.079	S	C	.	.	S	Bend	trans	-137.9	-179.8	-176.3	65.2	0	0	0	0	111.1	Q95 N96 G144	Q95-T148 VanDerWaalsContact OE1-CA 3.22Å; N96-T148 WeakPolarHBondContact O-CG2 3.39Å; G144-T148 PolarHBondContact O-N 3.11Å; G144-T148 PolarHBondContact O-OG1 3.19Å
149	G	98.8	Very high	98.8	Very high	4 Å²	4	15 Å²	15	4%	0.041	9%	0.089	C	C	.	.			trans	114.8	156.6	176.1	0	0	0	0	0	112.9	Q95 Y142	Q95-G149 PolarHBondContact NE2-O 2.89Å; Y142-G149 WeakPolarHBondContact CE2-O 3.43Å
150	T	98.9	Very high	98.8	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.089	C	C	.	.			trans	-156.8	150.2	174.7	-175.8	0	0	0	0	110.9	S92 P112 S152 L153 Y156 N173	S92-T150 WeakPolarHBondContact OG-CB 3.37Å; S92-T150 PolarHBondContact OG-OG1 3.15Å; P112-T150 HydrophobicContact CB-CG2 4.45Å; T150-S152 WeakPolarHBondContact CG2-OG 3.27Å; T150-S152 PolarHBondContact O-N 2.88Å; T150-S152 PolarHBondContact OG1-OG 2.67Å; T150-L153 HydrophobicContact CG2-CD2 3.54Å; T150-L153 HydrophobicContact CG2-CG 3.74Å; T150-Y156 VanDerWaalsContact O-CD2 3.32Å; T150-Y156 WeakPolarHBondContact O-CD2 3.38Å; T150-Y156 WeakPolarHBondContact O-CE2 3.43Å; T150-N173 PolarHBondContact OG1-OD1 3.17Å
151	S	98.9	Very high	98.7	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.014	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-6.7	-179.1	66.1	0	0	0	0	114.3	N124 S171 N173	N124-S151 PolarHBondContact ND2-OG 2.88Å; S151-S171 WeakPolarHBondContact CB-OG 3.33Å; S151-N173 VanDerWaalsContact CB-OD1 3.22Å; S151-N173 WeakPolarHBondContact CB-OD1 3.36Å; S151-N173 PolarHBondContact N-OD1 2.91Å; S151-N173 PolarHBondContact OG-OD1 2.9Å
152	S	98.9	Very high	98.7	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.014	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-0.9	-175.4	54.9	0	0	0	0	114.8	N113 T150	N113-S152 PolarHBondContact ND2-O 3.27Å; N113-S152 WeakPolarHBondContact OD1-CB 3.45Å; N113-S152 PolarHBondContact OD1-O 2.72Å; N113-S152 PolarHBondContact OD1-OG 3.34Å; T150-S152 WeakPolarHBondContact CG2-OG 3.27Å; T150-S152 PolarHBondContact O-N 2.88Å; T150-S152 PolarHBondContact OG1-OG 2.67Å
153	L	98.9	Very high	98.7	Very high	4 Å²	4	18.2 Å²	18.2	2%	0.021	10%	0.101	C	C	.	.			trans	-61	146.4	178.9	-59.3	-173.3	0	0	0	111.6	W110 N111 T150 V155 Y156	W110-L153 HydrophobicContact CE3-CD1 4.11Å; N111-L153 WeakPolarHBondContact O-CD2 3.47Å; T150-L153 HydrophobicContact CG2-CD2 3.54Å; T150-L153 HydrophobicContact CG2-CG 3.74Å; L153-V155 VanDerWaalsContact C-N 3.27Å; L153-V155 HydrophobicContact CB-CG2 4.05Å; L153-V155 PolarHBondContact O-N 3.22Å; L153-Y156 HydrophobicContact CB-CD2 3.72Å; L153-Y156 HydrophobicContact CB-CE2 3.94Å; L153-Y156 HydrophobicContact CB-CG 4.32Å; L153-Y156 HydrophobicContact CD1-CD2 4.32Å; L153-Y156 HydrophobicContact CD1-CE2 3.65Å; L153-Y156 HydrophobicContact CG-CD2 4.18Å; L153-Y156 HydrophobicContact CG-CE2 3.98Å; L153-Y156 PolarHBondContact O-N 3.44Å
154	H	98.7	Very high	98.7	Very high	104 Å²	104	19.5 Å²	19.5	48%	0.481	11%	0.108	S	C	.	.	G	3₁₀ helix	trans	-60.2	-37.5	-176.9	-179.9	47.5	0	0	0	112.8	Y156 D157 L476	H154-Y156 PolarHBondContact O-N 3.21Å; H154-Y156 VanDerWaalsContact O-N 3.14Å; H154-D157 WeakPolarHBondContact O-CB 3.46Å; H154-D157 PolarHBondContact O-N 3.08Å; H154-D157 VanDerWaalsContact O-N 3.15Å; H154-L476 VanDerWaalsContact NE2-CD2 3.33Å; H154-L476 WeakPolarHBondContact NE2-CD2 3.3Å
155	V	98.6	Very high	98.7	Very high	8 Å²	8	18.5 Å²	18.5	5%	0.048	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-63.7	-15.1	177	-69.5	0	0	0	0	113.6	M109 W110 L153 I470 F474	M109-V155 HydrophobicContact CE-CG1 3.48Å; M109-V155 VanDerWaalsContact CE-CG1 3.48Å; W110-V155 HydrophobicContact CE3-CG2 4.45Å; W110-V155 HydrophobicContact CH2-CG2 4.31Å; W110-V155 HydrophobicContact CZ3-CG2 3.83Å; L153-V155 VanDerWaalsContact C-N 3.27Å; L153-V155 HydrophobicContact CB-CG2 4.05Å; L153-V155 PolarHBondContact O-N 3.22Å; V155-I470 HydrophobicContact CB-CG2 4.26Å; V155-F474 VanDerWaalsContact O-CB 3.31Å; V155-F474 WeakPolarHBondContact O-CB 3.35Å; V155-F474 WeakPolarHBondContact O-CD2 3.42Å; V155-F474 VanDerWaalsContact O-CG 3.22Å; V155-F474 WeakPolarHBondContact O-CG 3.05Å
156	Y	98.9	Very high	98.7	Very high	6 Å²	6	22.6 Å²	22.6	2%	0.024	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-104.3	14.2	178.5	-50.9	-31	0	0	0	113.3	W110 W140 T150 L153 H154 G158 I470 F474	W110-Y156 HydrophobicContact CZ3-CE1 4.28Å; W140-Y156 AromaticContact CE2-CD1 3.69Å; W140-Y156 AromaticContact CE2-CE1 3.82Å; W140-Y156 HydrophobicContact CH2-CE1 4.34Å; W140-Y156 AromaticContact CZ2-CD1 3.63Å; W140-Y156 HydrophobicContact CZ2-CD1 3.63Å; W140-Y156 AromaticContact CZ2-CE1 3.35Å; W140-Y156 HydrophobicContact CZ2-CE1 3.35Å; W140-Y156 HydrophobicContact CZ2-CG 4.38Å; W140-Y156 AromaticContact CZ2-CZ 3.86Å; W140-Y156 AromaticContact NE1-CD1 3.51Å; W140-Y156 AromaticContact NE1-CD2 3.45Å; W140-Y156 AromaticContact NE1-CE1 3.82Å; W140-Y156 AromaticContact NE1-CE2 3.74Å; W140-Y156 AromaticContact NE1-CG 3.34Å; W140-Y156 VanDerWaalsContact NE1-CG 3.34Å; W140-Y156 AromaticContact NE1-CZ 3.93Å; T150-Y156 VanDerWaalsContact O-CD2 3.32Å; T150-Y156 WeakPolarHBondContact O-CD2 3.38Å; T150-Y156 WeakPolarHBondContact O-CE2 3.43Å; L153-Y156 HydrophobicContact CB-CD2 3.72Å; L153-Y156 HydrophobicContact CB-CE2 3.94Å; L153-Y156 HydrophobicContact CB-CG 4.32Å; L153-Y156 HydrophobicContact CD1-CD2 4.32Å; L153-Y156 HydrophobicContact CD1-CE2 3.65Å; L153-Y156 HydrophobicContact CG-CD2 4.18Å; L153-Y156 HydrophobicContact CG-CE2 3.98Å; L153-Y156 PolarHBondContact O-N 3.44Å; H154-Y156 PolarHBondContact O-N 3.21Å; H154-Y156 VanDerWaalsContact O-N 3.14Å; Y156-G158 PolarHBondContact O-N 3.24Å; Y156-I470 HydrophobicContact CD1-CG2 3.66Å; Y156-I470 HydrophobicContact CE1-CD1 3.87Å; Y156-I470 HydrophobicContact CE1-CG2 3.58Å; Y156-F474 VanDerWaalsContact C-CD1 3.43Å; Y156-F474 VanDerWaalsContact C-CE1 3.47Å; Y156-F474 HydrophobicContact CD1-CE2 4.14Å; Y156-F474 HydrophobicContact CD1-CZ 4.39Å; Y156-F474 WeakPolarHBondContact O-CE1 3.41Å
157	D	98.8	Very high	98.7	Very high	14 Å²	14	22.6 Å²	22.6	8%	0.075	11%	0.105	C	C	.	.			trans	-66.6	101.4	-179	-169.4	-16.6	0	0	0	111.5	W126 H154 K159	W126-D157 PolarHBondContact NE1-OD1 3.49Å; H154-D157 WeakPolarHBondContact O-CB 3.46Å; H154-D157 PolarHBondContact O-N 3.08Å; H154-D157 VanDerWaalsContact O-N 3.15Å; D157-K159 PolarHBondContact O-N 3.4Å; D157-K159 WeakPolarHBondContact OD1-CB 3.47Å; D157-K159 WeakPolarHBondContact OD1-CD 3.35Å; D157-K159 VanDerWaalsContact OD1-CG 3.23Å; D157-K159 WeakPolarHBondContact OD1-CG 3.28Å; D157-K159 PolarHBondContact OD1-N 3.32Å; D157-K159 VanDerWaalsContact OD1-N 3.16Å; D157-K159 VanDerWaalsContact OD2-CD 3.24Å; D157-K159 WeakPolarHBondContact OD2-CD 3.33Å; D157-K159 WeakPolarHBondContact OD2-CE 3.44Å; D157-K159 IonicContact OD2-NZ 3.5Å; D157-K159 PolarHBondContact OD2-NZ 3.38Å
158	G	98.8	Very high	98.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-4.4	-175.7	0	0	0	0	0	115.3	Y156 F160 A162	Y156-G158 PolarHBondContact O-N 3.24Å; G158-F160 VanDerWaalsContact C-N 3.31Å; G158-F160 PolarHBondContact O-N 3Å; G158-A162 WeakPolarHBondContact O-CB 3.2Å; G158-A162 PolarHBondContact O-N 3.33Å
159	K	98.8	Very high	98.7	Very high	47 Å²	47	19.2 Å²	19.2	20%	0.204	9%	0.086	C	C	.	.	H	α-helix	trans	-62.7	-34.9	-174.7	77.3	-170	173.8	-148.3	0	113.1	L46 V48 V53 D157 R163	L46-K159 HydrophobicContact CD1-CB 4.42Å; L46-K159 HydrophobicContact CD1-CD 4.48Å; V48-K159 HydrophobicContact CG1-CG 4.36Å; V48-K159 HydrophobicContact CG2-CB 4.1Å; V48-K159 HydrophobicContact CG2-CD 3.93Å; V48-K159 HydrophobicContact CG2-CG 3.98Å; V53-K159 HydrophobicContact CG1-CB 4.35Å; D157-K159 PolarHBondContact O-N 3.4Å; D157-K159 WeakPolarHBondContact OD1-CB 3.47Å; D157-K159 WeakPolarHBondContact OD1-CD 3.35Å; D157-K159 VanDerWaalsContact OD1-CG 3.23Å; D157-K159 WeakPolarHBondContact OD1-CG 3.28Å; D157-K159 PolarHBondContact OD1-N 3.32Å; D157-K159 VanDerWaalsContact OD1-N 3.16Å; D157-K159 VanDerWaalsContact OD2-CD 3.24Å; D157-K159 WeakPolarHBondContact OD2-CD 3.33Å; D157-K159 WeakPolarHBondContact OD2-CE 3.44Å; D157-K159 IonicContact OD2-NZ 3.5Å; D157-K159 PolarHBondContact OD2-NZ 3.38Å; K159-R163 WeakPolarHBondContact O-CB 3.48Å; K159-R163 PolarHBondContact O-N 3.19Å
160	F	98.8	Very high	98.8	Very high	4 Å²	4	19.1 Å²	19.1	2%	0.018	8%	0.084	C	C	.	.	H	α-helix	trans	-74.3	-47	-176.9	-53.1	-64.9	0	0	0	111.3	V48 F49 G158 A162 R163 V164 F474 L476 E479	V48-F160 HydrophobicContact CG1-CD1 3.69Å; V48-F160 HydrophobicContact CG1-CE1 4.1Å; F49-F160 HydrophobicContact CE1-CD1 4.18Å; F49-F160 HydrophobicContact CE1-CE1 4.08Å; F49-F160 HydrophobicContact CE2-CB 4.42Å; F49-F160 AromaticContact CE2-CD1 3.6Å; F49-F160 HydrophobicContact CE2-CD1 3.6Å; F49-F160 HydrophobicContact CE2-CE1 4.31Å; F49-F160 HydrophobicContact CE2-CG 4.42Å; F49-F160 AromaticContact CZ-CD1 3.32Å; F49-F160 HydrophobicContact CZ-CD1 3.32Å; F49-F160 AromaticContact CZ-CE1 3.61Å; F49-F160 HydrophobicContact CZ-CE1 3.61Å; F49-F160 HydrophobicContact CZ-CG 4.31Å; G158-F160 VanDerWaalsContact C-N 3.31Å; G158-F160 PolarHBondContact O-N 3Å; F160-A162 VanDerWaalsContact C-N 3.32Å; F160-A162 PolarHBondContact O-N 2.88Å; F160-R163 PolarHBondContact O-N 3.3Å; F160-V164 WeakPolarHBondContact O-CB 3.47Å; F160-V164 VanDerWaalsContact O-CG2 3.3Å; F160-V164 WeakPolarHBondContact O-CG2 3.4Å; F160-V164 PolarHBondContact O-N 2.8Å; F160-F474 WeakPolarHBondContact CB-O 3.48Å; F160-L476 HydrophobicContact CE2-CG 4.28Å; F160-E479 HydrophobicContact CE1-CB 4.32Å; F160-E479 HydrophobicContact CZ-CB 4.31Å
161	L	98.6	Very high	98.8	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.005	9%	0.085	C	C	.	.	H	α-helix	trans	-53.6	-49.2	171.4	-84.2	165.8	0	0	0	111.3	L138 R163 E165 V169 F223 F474 V496	L138-L161 HydrophobicContact CD1-CD2 4.41Å; L161-R163 PolarHBondContact O-N 3.23Å; L161-E165 WeakPolarHBondContact O-CB 3.34Å; L161-E165 PolarHBondContact O-N 3.27Å; L161-V169 HydrophobicContact CB-CG2 3.68Å; L161-V169 HydrophobicContact CD1-CG2 4.4Å; L161-F223 HydrophobicContact CD1-CE2 4.48Å; L161-F223 HydrophobicContact CD1-CZ 4.35Å; L161-F474 HydrophobicContact CD1-CD1 3.93Å; L161-F474 HydrophobicContact CD1-CE1 4.25Å; L161-F474 HydrophobicContact CD1-CG 4.28Å; L161-V496 HydrophobicContact CD2-CB 4.48Å; L161-V496 HydrophobicContact CD2-CG1 3.99Å; L161-V496 HydrophobicContact CD2-CG2 4.27Å
162	A	98.8	Very high	98.8	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-60.2	-46.5	177.2	0	0	0	0	0	111.8	V53 W126 P128 G158 F160 R166 V167 V169	V53-A162 HydrophobicContact CG1-CB 4.26Å; W126-A162 HydrophobicContact CB-CB 3.95Å; P128-A162 WeakPolarHBondContact CB-O 3.46Å; G158-A162 WeakPolarHBondContact O-CB 3.2Å; G158-A162 PolarHBondContact O-N 3.33Å; F160-A162 VanDerWaalsContact C-N 3.32Å; F160-A162 PolarHBondContact O-N 2.88Å; A162-R166 VanDerWaalsContact O-CA 3.23Å; A162-R166 WeakPolarHBondContact O-CA 3.32Å; A162-R166 PolarHBondContact O-N 3.33Å; A162-R166 VanDerWaalsContact O-N 3.09Å; A162-V167 WeakPolarHBondContact CA-O 3.42Å; A162-V169 HydrophobicContact CB-CG2 4.45Å
163	R	98.6	Very high	98.8	Very high	64 Å²	64	19.1 Å²	19.1	24%	0.242	8%	0.084	C	C	.	.	H	α-helix	trans	-65.4	-44.6	-178.1	177.2	59	-174.3	86.2	1.3	113.5	V48 F49 V53 K159 F160 L161	V48-R163 HydrophobicContact CB-CB 4.18Å; V48-R163 HydrophobicContact CB-CG 4Å; V48-R163 HydrophobicContact CG1-CB 3.9Å; V48-R163 HydrophobicContact CG1-CG 3.87Å; V48-R163 WeakPolarHBondContact O-CD 3.3Å; V48-R163 PolarHBondContact O-NE 3.01Å; F49-R163 HydrophobicContact CD2-CG 4.24Å; F49-R163 PolarHBondContact O-NH2 3.02Å; V53-R163 HydrophobicContact CG2-CB 3.65Å; V53-R163 HydrophobicContact CG2-CG 4.44Å; K159-R163 WeakPolarHBondContact O-CB 3.48Å; K159-R163 PolarHBondContact O-N 3.19Å; F160-R163 PolarHBondContact O-N 3.3Å; L161-R163 PolarHBondContact O-N 3.23Å
164	V	98.3	Very high	98.8	Very high	29 Å²	29	19 Å²	19	18%	0.176	8%	0.083	C	C	.	.	H	α-helix	trans	-86	-45.3	-168.6	176.1	0	0	0	0	110.7	F49 F160 L478 V496	F49-V164 HydrophobicContact CD2-CG2 3.96Å; F49-V164 HydrophobicContact CE2-CG2 3.92Å; F160-V164 WeakPolarHBondContact O-CB 3.47Å; F160-V164 VanDerWaalsContact O-CG2 3.3Å; F160-V164 WeakPolarHBondContact O-CG2 3.4Å; F160-V164 PolarHBondContact O-N 2.8Å; V164-L478 HydrophobicContact CG2-CD1 3.92Å; V164-V496 HydrophobicContact CG1-CG1 4.28Å
165	E	98.5	Very high	98.8	Very high	6 Å²	6	14.4 Å²	14.4	3%	0.028	6%	0.062	C	C	.	.	H	α-helix	trans	-99.6	-3.6	-174.6	-67.6	-58.4	139.2	0	0	114	L161 V167 V496 K497 A500 K504	L161-E165 WeakPolarHBondContact O-CB 3.34Å; L161-E165 PolarHBondContact O-N 3.27Å; E165-V167 HydrophobicContact CB-CG1 4.34Å; E165-V167 HydrophobicContact CB-CG2 4.26Å; E165-V167 PolarHBondContact O-N 2.71Å; E165-V496 HydrophobicContact CG-CG1 3.38Å; E165-K497 WeakPolarHBondContact OE1-CE 3.41Å; E165-K497 IonicContact OE1-NZ 3.21Å; E165-K497 PolarHBondContact OE1-NZ 3.26Å; E165-K497 IonicContact OE2-NZ 2.74Å; E165-K497 PolarHBondContact OE2-NZ 3.21Å; E165-A500 HydrophobicContact CB-CB 3.54Å; E165-A500 HydrophobicContact CG-CB 3.53Å; E165-K504 PolarHBondContact O-NZ 3.22Å; E165-K504 IonicContact OE2-NZ 2.77Å
166	R	98.6	Very high	98.8	Very high	108 Å²	108	14 Å²	14	41%	0.408	6%	0.059	S	C	.	.			trans	55.1	35.1	178.7	-49	-156.6	71	87.5	5.2	113.1	P128 A129 A162	P128-R166 HydrophobicContact CB-CB 4.49Å; P128-R166 HydrophobicContact CG-CB 4.43Å; A129-R166 VanDerWaalsContact C-NH2 3.31Å; A129-R166 PolarHBondContact O-NH2 2.86Å; A162-R166 VanDerWaalsContact O-CA 3.23Å; A162-R166 WeakPolarHBondContact O-CA 3.32Å; A162-R166 PolarHBondContact O-N 3.33Å; A162-R166 VanDerWaalsContact O-N 3.09Å
167	V	98.9	Very high	98.8	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	6%	0.058	C	C	.	.			trans	-95	161	169.9	-65.4	0	0	0	0	109.5	P128 T136 L138 A162 E165 V169 A500	P128-V167 WeakPolarHBondContact CD-O 3.46Å; T136-V167 WeakPolarHBondContact O-CA 3.12Å; T136-V167 WeakPolarHBondContact O-CB 3.28Å; L138-V167 HydrophobicContact CD1-CB 4.49Å; L138-V167 HydrophobicContact CD1-CG2 3.89Å; A162-V167 WeakPolarHBondContact CA-O 3.42Å; E165-V167 HydrophobicContact CB-CG1 4.34Å; E165-V167 HydrophobicContact CB-CG2 4.26Å; E165-V167 PolarHBondContact O-N 2.71Å; V167-V169 HydrophobicContact CG2-CG2 4.2Å; V167-A500 HydrophobicContact CG1-CB 4.31Å
168	I	98.9	Very high	98.8	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	132.9	164	-66.2	-176.4	0	0	0	107.6	V125 W126 I127 P132 A135 T136 V137 L138 V170 I210 F213 G215	V125-I168 HydrophobicContact CG1-CG2 3.79Å; W126-I168 WeakPolarHBondContact O-CA 3.23Å; I127-I168 HydrophobicContact CB-CG1 4.47Å; I127-I168 HydrophobicContact CG2-CD1 3.89Å; I127-I168 HydrophobicContact CG2-CG1 4.03Å; I127-I168 HydrophobicContact CG2-CG2 4.27Å; P132-I168 HydrophobicContact CG-CD1 4.23Å; P132-I168 HydrophobicContact CG-CG1 4.28Å; A135-I168 HydrophobicContact CB-CG1 4.18Å; T136-I168 PolarHBondContact O-N 3.45Å; V137-I168 CarbonylContact C-O 3.54Å; V137-I168 WeakPolarHBondContact CA-O 3.42Å; V137-I168 HydrophobicContact CG1-CG2 4.36Å; V137-I168 HydrophobicContact CG2-CB 4.38Å; L138-I168 PolarHBondContact N-O 3.49Å; I168-V170 HydrophobicContact CG2-CG2 4.13Å; I168-I210 HydrophobicContact CG2-CD1 3.98Å; I168-I210 HydrophobicContact CG2-CG1 4.44Å; I168-F213 HydrophobicContact CD1-CB 4.23Å; I168-G215 VanDerWaalsContact CD1-CA 3.46Å; I168-G215 VanDerWaalsContact CD1-N 3.3Å
169	V	99	Very high	98.8	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.006	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	134.1	172.4	-175.2	0	0	0	0	108.1	V125 W126 L138 L161 A162 V167	V125-V169 WeakPolarHBondContact CA-O 3.37Å; W126-V169 HydrophobicContact CB-CB 4.44Å; W126-V169 HydrophobicContact CE3-CB 4.21Å; W126-V169 HydrophobicContact CE3-CG1 4.22Å; W126-V169 PolarHBondContact N-O 3.05Å; W126-V169 PolarHBondContact O-N 3.11Å; W126-V169 VanDerWaalsContact O-N 3.11Å; L138-V169 CarbonylContact O-C 3.59Å; L138-V169 WeakPolarHBondContact O-CA 3.25Å; L161-V169 HydrophobicContact CB-CG2 3.68Å; L161-V169 HydrophobicContact CD1-CG2 4.4Å; A162-V169 HydrophobicContact CB-CG2 4.45Å; V167-V169 HydrophobicContact CG2-CG2 4.2Å
170	V	99	Very high	98.8	Very high	1 Å²	1	11.1 Å²	11.1	1%	0.006	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	143.2	173.3	-178.4	0	0	0	0	108.1	N124 V125 V137 L138 I139 W140 I168 V206 I210	N124-V170 WeakPolarHBondContact O-CA 3.36Å; N124-V170 WeakPolarHBondContact O-CG1 3.3Å; V125-V170 HydrophobicContact CG1-CG2 4.37Å; V125-V170 HydrophobicContact CG2-CG2 4.29Å; V137-V170 HydrophobicContact CG1-CG2 3.84Å; L138-V170 PolarHBondContact O-N 3.49Å; I139-V170 CarbonylContact C-O 3.58Å; I139-V170 VanDerWaalsContact CA-O 3.32Å; I139-V170 WeakPolarHBondContact CA-O 3.42Å; I139-V170 HydrophobicContact CG1-CB 4.2Å; I139-V170 HydrophobicContact CG2-CB 4.42Å; I139-V170 HydrophobicContact CG2-CG1 4.48Å; W140-V170 PolarHBondContact N-O 2.9Å; I168-V170 HydrophobicContact CG2-CG2 4.13Å; V170-V206 HydrophobicContact CG1-CG2 3.98Å; V170-V206 HydrophobicContact CG2-CG2 4.32Å; V170-I210 HydrophobicContact CG2-CD1 3.93Å
171	S	98.9	Very high	98.8	Very high	1 Å²	1	11 Å²	11	1%	0.007	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	149.8	168.7	63.3	0	0	0	0	109.3	L123 N124 W126 S151	L123-S171 CarbonylContact C-O 3.44Å; L123-S171 WeakPolarHBondContact CA-O 3.41Å; L123-S171 VanDerWaalsContact CB-O 3.23Å; L123-S171 WeakPolarHBondContact CB-O 3.49Å; N124-S171 PolarHBondContact N-O 3.5Å; N124-S171 PolarHBondContact ND2-OG 3.34Å; N124-S171 VanDerWaalsContact ND2-OG 3.13Å; N124-S171 PolarHBondContact O-N 3.31Å; N124-S171 VanDerWaalsContact O-N 3.11Å; W126-S171 WeakPolarHBondContact CZ3-OG 3.45Å; S151-S171 WeakPolarHBondContact CB-OG 3.33Å
172	M	98.9	Very high	98.8	Very high	1 Å²	1	11 Å²	11	1%	0.005	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	152	178.1	83.7	-61.2	-64.7	0	0	112.3	Y61 L123 I139 I141 Y142 Q199 A202	Y61-M172 HydrophobicContact CE1-CB 4.09Å; L123-M172 HydrophobicContact CB-CB 3.88Å; I139-M172 HydrophobicContact CG2-CE 3.3Å; I141-M172 HydrophobicContact CG1-CE 4.12Å; I141-M172 HydrophobicContact CG1-SD 4.02Å; Y142-M172 WeakPolarHBondContact CE1-O 3.47Å; M172-Q199 HydrophobicContact SD-CG 4.45Å; M172-A202 HydrophobicContact CB-CB 3.86Å; M172-A202 HydrophobicContact CE-CB 4.26Å; M172-A202 HydrophobicContact CG-CB 3.79Å
173	N	99	Very high	98.8	Very high	3 Å²	3	11 Å²	11	2%	0.016	5%	0.046	C	C	.	.			trans	-85.3	135.9	161.6	-73.3	-2.6	0	0	0	109.7	Y61 N91 C120 Y122 T150 S151	Y61-N173 WeakPolarHBondContact CE1-O 3.4Å; Y61-N173 PolarHBondContact OH-O 2.92Å; N91-N173 PolarHBondContact O-ND2 3.49Å; C120-N173 WeakPolarHBondContact O-CB 3.35Å; Y122-N173 PolarHBondContact O-N 3.07Å; T150-N173 PolarHBondContact OG1-OD1 3.17Å; S151-N173 VanDerWaalsContact CB-OD1 3.22Å; S151-N173 WeakPolarHBondContact CB-OD1 3.36Å; S151-N173 PolarHBondContact N-OD1 2.91Å; S151-N173 PolarHBondContact OG-OD1 2.9Å
174	Y	98.9	Very high	98.7	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.035	C	C	.	.			trans	-128.6	149.3	172.1	65.7	-89.3	0	0	0	109.3	C93 I141 Y142 V176 F181 Q199	C93-Y174 PolarHBondContact SG-O 3.38Å; I141-Y174 HydrophobicContact CG2-CD1 4.28Å; I141-Y174 HydrophobicContact CG2-CE1 3.78Å; Y142-Y174 HydrophobicContact CD1-CE1 4.31Å; Y142-Y174 AromaticContact CD2-CE1 3.62Å; Y142-Y174 HydrophobicContact CD2-CE1 3.62Å; Y142-Y174 AromaticContact CD2-CZ 3.98Å; Y142-Y174 HydrophobicContact CE1-CD1 4.07Å; Y142-Y174 HydrophobicContact CE1-CE1 4.06Å; Y142-Y174 AromaticContact CE2-CD1 3.9Å; Y142-Y174 HydrophobicContact CE2-CD1 3.9Å; Y142-Y174 AromaticContact CE2-CE1 3.3Å; Y142-Y174 HydrophobicContact CE2-CE1 3.3Å; Y142-Y174 HydrophobicContact CE2-CE2 4.42Å; Y142-Y174 AromaticContact CE2-CZ 3.6Å; Y142-Y174 HydrophobicContact CG-CE1 4.12Å; Y142-Y174 AromaticContact CZ-CD1 3.64Å; Y142-Y174 AromaticContact CZ-CE1 3.54Å; Y142-Y174 PolarHBondContact O-OH 3.17Å; Y142-Y174 PolarHBondContact OH-N 3.4Å; Y142-Y174 VanDerWaalsContact OH-N 3.08Å; Y142-Y174 PolarHBondContact OH-O 3.43Å; Y174-V176 HydrophobicContact CD2-CG1 4.2Å; Y174-V176 HydrophobicContact CE2-CG1 3.79Å; Y174-V176 PolarHBondContact O-N 2.98Å; Y174-F181 HydrophobicContact CE2-CE2 4.37Å; Y174-F181 HydrophobicContact CE2-CZ 4.42Å; Y174-Q199 HydrophobicContact CD1-CG 3.84Å; Y174-Q199 HydrophobicContact CD2-CG 4.4Å; Y174-Q199 HydrophobicContact CG-CG 3.75Å
175	R	98.9	Very high	98.2	Very high	8 Å²	8	8.5 Å²	8.5	3%	0.03	4%	0.039	C	C	.	.			trans	-63.4	138.8	179.4	-75	170.5	-73.8	173.1	-4.2	110.9	K72 L121 G180 F181 G195 D198	K72-R175 PolarHBondContact O-NH1 3.09Å; K72-R175 PolarHBondContact O-NH2 2.85Å; L121-R175 HydrophobicContact CD2-CG 4.18Å; R175-G180 VanDerWaalsContact CB-CA 3.49Å; R175-F181 WeakPolarHBondContact O-CE2 3.46Å; R175-G195 WeakPolarHBondContact O-CA 3.42Å; R175-D198 WeakPolarHBondContact CB-OD2 3.5Å; R175-D198 WeakPolarHBondContact CG-OD2 3.49Å; R175-D198 IonicContact CZ-OD1 2.67Å; R175-D198 IonicContact CZ-OD2 2.72Å; R175-D198 PolarHBondContact N-OD2 2.68Å; R175-D198 IonicContact NE-OD1 2.86Å; R175-D198 PolarHBondContact NE-OD1 3.41Å; R175-D198 IonicContact NE-OD2 3.68Å; R175-D198 PolarHBondContact NE-OD2 3.39Å; R175-D198 IonicContact NH2-OD1 3.86Å; R175-D198 PolarHBondContact NH2-OD1 3.08Å; R175-D198 IonicContact NH2-OD2 3.15Å
176	V	98.9	Very high	97.5	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	8%	0.078	C	C	.	.			trans	-118.6	172.5	179.4	-67.4	0	0	0	0	110.3	C93 Q95 Y142 F146 Q147 Y174 G180	C93-V176 HydrophobicContact CB-CG2 4.45Å; Q95-V176 HydrophobicContact CB-CG2 3.84Å; Y142-V176 HydrophobicContact CE2-CG1 4.3Å; F146-V176 CarbonylContact O-C 3.11Å; F146-V176 VanDerWaalsContact O-CA 3.32Å; F146-V176 WeakPolarHBondContact O-CA 3.47Å; F146-V176 VanDerWaalsContact O-CB 3.23Å; F146-V176 WeakPolarHBondContact O-CB 3.39Å; Q147-V176 VanDerWaalsContact O-CG2 3.3Å; Q147-V176 WeakPolarHBondContact O-CG2 3.44Å; Y174-V176 HydrophobicContact CD2-CG1 4.2Å; Y174-V176 HydrophobicContact CE2-CG1 3.79Å; Y174-V176 PolarHBondContact O-N 2.98Å; V176-G180 PolarHBondContact O-N 3.13Å; V176-G180 VanDerWaalsContact O-N 3.13Å
177	G	98.8	Very high	97.2	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	59.8	-153.3	-179.6	0	0	0	0	0	112.8	F146 L179 G180 F181	F146-G177 PolarHBondContact O-N 3.23Å; G177-L179 PolarHBondContact O-N 3.43Å; G177-G180 PolarHBondContact O-N 3.3Å; G177-G180 VanDerWaalsContact O-N 3.16Å; G177-F181 PolarHBondContact O-N 2.96Å
178	A	98.8	Very high	97	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-60	-33.7	177	0	0	0	0	0	111.9	G180 F181 L182 L274 I300 E304 F318	A178-G180 PolarHBondContact O-N 3.14Å; A178-F181 PolarHBondContact O-N 3.01Å; A178-L182 HydrophobicContact CB-CB 4.34Å; A178-L182 HydrophobicContact CB-CD1 4.38Å; A178-L182 WeakPolarHBondContact O-CB 3.47Å; A178-L182 PolarHBondContact O-N 2.84Å; A178-L274 HydrophobicContact CB-CD2 3.81Å; A178-I300 HydrophobicContact CB-CG2 3.85Å; A178-E304 HydrophobicContact CB-CG 4.28Å; A178-E304 VanDerWaalsContact CB-OE1 3.24Å; A178-E304 WeakPolarHBondContact CB-OE1 3.36Å; A178-E304 PolarHBondContact N-OE1 3.09Å; A178-F318 HydrophobicContact CB-CD1 4.34Å; A178-F318 HydrophobicContact CB-CD2 3.73Å; A178-F318 HydrophobicContact CB-CE1 4.42Å; A178-F318 HydrophobicContact CB-CE2 3.82Å; A178-F318 HydrophobicContact CB-CG 4Å; A178-F318 HydrophobicContact CB-CZ 4.17Å
179	L	98.9	Very high	97	Very high	6 Å²	6	14.4 Å²	14.4	3%	0.031	10%	0.102	C	C	.	.	H	α-helix	trans	-64.3	-28.3	-179.9	-60.8	173.7	0	0	0	112.5	R70 F71 C94 E118 G177 I300	R70-L179 HydrophobicContact CG-CD2 3.92Å; F71-L179 HydrophobicContact CE1-CD2 3.83Å; F71-L179 HydrophobicContact CZ-CD2 4.28Å; C94-L179 HydrophobicContact CB-CD1 3.51Å; E118-L179 HydrophobicContact CG-CD1 4.32Å; G177-L179 PolarHBondContact O-N 3.43Å; L179-I300 HydrophobicContact CD2-CD1 4.1Å
180	G	98.8	Very high	96.9	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-98.1	-26.7	176	0	0	0	0	0	115.1	R175 V176 G177 A178 M194 G195	R175-G180 VanDerWaalsContact CB-CA 3.49Å; V176-G180 PolarHBondContact O-N 3.13Å; V176-G180 VanDerWaalsContact O-N 3.13Å; G177-G180 PolarHBondContact O-N 3.3Å; G177-G180 VanDerWaalsContact O-N 3.16Å; A178-G180 PolarHBondContact O-N 3.14Å; G180-M194 CarbonylContact O-C 3.6Å; G180-M194 WeakPolarHBondContact O-CA 3.38Å; G180-M194 VanDerWaalsContact O-CB 3.28Å; G180-M194 WeakPolarHBondContact O-CB 3.47Å; G180-M194 PolarHBondContact O-N 3.44Å; G180-G195 PolarHBondContact O-N 3.21Å
181	F	98.9	Very high	96.8	Very high	3 Å²	3	15.4 Å²	15.4	1%	0.013	11%	0.108	C	C	.	.	H	α-helix	trans	-136.4	6.9	-164.3	-65.3	-82.7	0	0	0	115.2	F146 Y174 R175 G177 A178 A183 L196 F318 P320	F146-F181 HydrophobicContact CB-CD2 4.2Å; F146-F181 HydrophobicContact CB-CE2 3.84Å; F146-F181 HydrophobicContact CB-CZ 4.24Å; F146-F181 HydrophobicContact CD1-CE1 4.28Å; F146-F181 HydrophobicContact CD1-CE2 4.05Å; F146-F181 AromaticContact CD1-CZ 3.63Å; F146-F181 HydrophobicContact CD1-CZ 3.63Å; F146-F181 HydrophobicContact CE1-CZ 4.37Å; F146-F181 HydrophobicContact CG-CE2 4.37Å; F146-F181 HydrophobicContact CG-CZ 4.28Å; Y174-F181 HydrophobicContact CE2-CE2 4.37Å; Y174-F181 HydrophobicContact CE2-CZ 4.42Å; R175-F181 WeakPolarHBondContact O-CE2 3.46Å; G177-F181 PolarHBondContact O-N 2.96Å; A178-F181 PolarHBondContact O-N 3.01Å; F181-A183 PolarHBondContact O-N 3.39Å; F181-L196 HydrophobicContact CE1-CG 4.04Å; F181-F318 VanDerWaalsContact CB-C 3.44Å; F181-F318 HydrophobicContact CB-CB 3.9Å; F181-F318 WeakPolarHBondContact CB-O 3.22Å; F181-P320 HydrophobicContact CE1-CG 4.01Å
182	L	98.8	Very high	96.8	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	11%	0.108	C	C	.	.			trans	-58	128.4	170.3	-174.9	149.8	0	0	0	110.5	F71 A178 A190 G192 M194 T271 L274 L292 F318	F71-L182 HydrophobicContact CD1-CB 4.08Å; F71-L182 HydrophobicContact CD1-CD1 4.39Å; F71-L182 HydrophobicContact CE1-CB 4.36Å; F71-L182 HydrophobicContact CE1-CD1 4.06Å; F71-L182 HydrophobicContact CZ-CD1 4.31Å; A178-L182 HydrophobicContact CB-CB 4.34Å; A178-L182 HydrophobicContact CB-CD1 4.38Å; A178-L182 WeakPolarHBondContact O-CB 3.47Å; A178-L182 PolarHBondContact O-N 2.84Å; L182-A190 HydrophobicContact CD2-CB 3.43Å; L182-A190 VanDerWaalsContact CD2-CB 3.43Å; L182-G192 PolarHBondContact O-N 3.26Å; L182-M194 WeakPolarHBondContact O-CE 3.45Å; L182-T271 HydrophobicContact CD1-CG2 3.97Å; L182-T271 HydrophobicContact CD2-CG2 3.59Å; L182-T271 HydrophobicContact CG-CG2 3.62Å; L182-L274 HydrophobicContact CD1-CD2 3.92Å; L182-L292 HydrophobicContact CD1-CD1 3.96Å; L182-F318 HydrophobicContact CB-CD1 4.48Å
183	A	98.4	Very high	96.8	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.008	11%	0.108	C	C	.	.	B	Isolated β-bridge	trans	-133.2	121.8	-170.9	0	0	0	0	0	111.7	F181 A267 T271 T321	F181-A183 PolarHBondContact O-N 3.39Å; A183-A267 HydrophobicContact CB-CB 4.11Å; A183-T271 PolarHBondContact N-OG1 3.3Å; A183-T271 PolarHBondContact O-OG1 2.62Å; A183-T271 VanDerWaalsContact O-OG1 3.12Å; A183-T321 HydrophobicContact CB-CG2 4.01Å
184	L	96.8	Very high	96.8	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	11%	0.107	C	C	.	.			trans	-116.8	88	160.3	-73.3	165.6	0	0	0	106.3	G186 N187 A190 R268 T271 L272 E285 I289	L184-G186 PolarHBondContact O-N 2.94Å; L184-N187 HydrophobicContact CB-CB 3.96Å; L184-N187 WeakPolarHBondContact O-CB 3.31Å; L184-N187 PolarHBondContact O-N 3.46Å; L184-A190 PolarHBondContact N-O 3.27Å; L184-R268 HydrophobicContact CD2-CG 4.15Å; L184-T271 HydrophobicContact CD1-CG2 4.1Å; L184-T271 HydrophobicContact CD2-CG2 4.04Å; L184-T271 HydrophobicContact CG-CG2 3.82Å; L184-L272 HydrophobicContact CD2-CD2 4.49Å; L184-E285 HydrophobicContact CD1-CB 4.17Å; L184-E285 HydrophobicContact CD1-CG 4.39Å; L184-E285 HydrophobicContact CD2-CG 4.38Å; L184-I289 HydrophobicContact CD1-CD1 3.75Å; L184-I289 HydrophobicContact CD1-CG1 3.69Å
185	P	86.9	Confident	96.8	Very high	39 Å²	39	15.1 Å²	15.1	25%	0.253	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	131.6	-172.2	-29.3	37	0	0	0	112.5	N187 L264	P185-N187 VanDerWaalsContact C-N 3.34Å; P185-L264 HydrophobicContact CB-CD2 3.81Å; P185-L264 HydrophobicContact CG-CB 4.08Å; P185-L264 HydrophobicContact CG-CD2 3.37Å; P185-L264 HydrophobicContact CG-CG 4.24Å
186	G	83.9	Confident	96.8	Very high	83 Å²	83	14.8 Å²	14.8	86%	0.856	11%	0.106	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.5	-8.4	-173.8	0	0	0	0	0	114.9	L184	L184-G186 PolarHBondContact O-N 2.94Å
187	N	93.7	Very high	96.8	Very high	16 Å²	16	15.5 Å²	15.5	9%	0.086	11%	0.109	C	C	.	.			trans	-99.8	113.8	177.5	-162.5	-39.5	0	0	0	111.5	L184 P185 E189 A190 P191 E285	L184-N187 HydrophobicContact CB-CB 3.96Å; L184-N187 WeakPolarHBondContact O-CB 3.31Å; L184-N187 PolarHBondContact O-N 3.46Å; P185-N187 VanDerWaalsContact C-N 3.34Å; N187-E189 PolarHBondContact O-N 3.05Å; N187-E189 VanDerWaalsContact O-N 3.09Å; N187-E189 WeakPolarHBondContact OD1-CB 3.26Å; N187-E189 PolarHBondContact OD1-N 3.06Å; N187-E189 VanDerWaalsContact OD1-N 3.17Å; N187-A190 CarbonylContact O-C 3.51Å; N187-A190 VanDerWaalsContact O-C 3.31Å; N187-A190 PolarHBondContact O-N 3.36Å; N187-P191 WeakPolarHBondContact O-CA 3.02Å; N187-P191 VanDerWaalsContact O-N 3.16Å; N187-E285 WeakPolarHBondContact ND2-CB 3.42Å; N187-E285 PolarHBondContact ND2-OE2 3.13Å
188	P	94.5	Very high	96.8	Very high	95 Å²	95	15.5 Å²	15.5	62%	0.617	11%	0.109	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-10.6	-175.7	29.5	-36.7	0	0	0	114
189	E	97.5	Very high	96.8	Very high	44 Å²	44	15.5 Å²	15.5	21%	0.206	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-21.6	177.6	-64.5	-60.1	123.5	0	0	112.8	K72 N187 T286 I289 R293	K72-E189 IonicContact NZ-OE1 2.71Å; K72-E189 PolarHBondContact NZ-OE1 3.3Å; K72-E189 IonicContact NZ-OE2 3.09Å; N187-E189 PolarHBondContact O-N 3.05Å; N187-E189 VanDerWaalsContact O-N 3.09Å; N187-E189 WeakPolarHBondContact OD1-CB 3.26Å; N187-E189 PolarHBondContact OD1-N 3.06Å; N187-E189 VanDerWaalsContact OD1-N 3.17Å; E189-T286 HydrophobicContact CG-CG2 4.4Å; E189-I289 HydrophobicContact CB-CD1 3.61Å; E189-I289 HydrophobicContact CB-CG2 4.11Å; E189-R293 PolarHBondContact O-NH2 3.02Å; E189-R293 IonicContact OE2-CZ 3.64Å; E189-R293 IonicContact OE2-NH1 2.79Å; E189-R293 PolarHBondContact OE2-NH1 3.2Å; E189-R293 IonicContact OE2-NH2 2.79Å; E189-R293 PolarHBondContact OE2-NH2 2.69Å
190	A	98.1	Very high	96.8	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	-154.7	69.2	172.4	0	0	0	0	0	110.9	F71 L182 L184 N187 G192 I289	F71-A190 HydrophobicContact CB-CB 3.92Å; L182-A190 HydrophobicContact CD2-CB 3.43Å; L182-A190 VanDerWaalsContact CD2-CB 3.43Å; L184-A190 PolarHBondContact N-O 3.27Å; N187-A190 CarbonylContact O-C 3.51Å; N187-A190 VanDerWaalsContact O-C 3.31Å; N187-A190 PolarHBondContact O-N 3.36Å; A190-G192 VanDerWaalsContact C-N 3.26Å; A190-G192 PolarHBondContact O-N 3.42Å; A190-I289 HydrophobicContact CB-CD1 3.68Å; A190-I289 HydrophobicContact CB-CG1 3.98Å; A190-I289 HydrophobicContact CB-CG2 4.42Å
191	P	97.1	Very high	96.8	Very high	23 Å²	23	16.8 Å²	16.8	15%	0.149	12%	0.115	C	C	.	.	B	Isolated β-bridge	trans	-73.9	-13	-169.3	29.6	-35.9	0	0	0	114.4	N187 M194	N187-P191 WeakPolarHBondContact O-CA 3.02Å; N187-P191 VanDerWaalsContact O-N 3.16Å; P191-M194 HydrophobicContact CG-SD 4.21Å
192	G	98.1	Very high	96.8	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	89.7	166.7	-166.8	0	0	0	0	0	112.7	L182 A190 M194	L182-G192 PolarHBondContact O-N 3.26Å; A190-G192 VanDerWaalsContact C-N 3.26Å; A190-G192 PolarHBondContact O-N 3.42Å; G192-M194 VanDerWaalsContact C-N 3.26Å; G192-M194 VanDerWaalsContact CA-SD 3.57Å; G192-M194 PolarHBondContact N-SD 2.76Å; G192-M194 VanDerWaalsContact N-SD 3.41Å; G192-M194 PolarHBondContact O-N 2.95Å; G192-M194 VanDerWaalsContact O-N 3.17Å
193	N	98.8	Very high	96.8	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	12%	0.115	C	C	.	.			trans	61.1	18.7	175.8	-62.4	-16.4	0	0	0	116.6	G195 L196 F197 P320 T321 D323 F326	N193-G195 VanDerWaalsContact C-N 3.26Å; N193-G195 PolarHBondContact O-N 2.91Å; N193-L196 HydrophobicContact CB-CB 4.36Å; N193-L196 HydrophobicContact CB-CD1 4.08Å; N193-L196 WeakPolarHBondContact O-CB 3.42Å; N193-L196 PolarHBondContact O-N 3.42Å; N193-F197 HydrophobicContact CB-CD2 4.32Å; N193-F197 HydrophobicContact CB-CE2 4.19Å; N193-F197 VanDerWaalsContact O-CD2 3.27Å; N193-F197 WeakPolarHBondContact O-CD2 3.49Å; N193-F197 PolarHBondContact O-N 3.06Å; N193-P320 VanDerWaalsContact OD1-CA 3.3Å; N193-P320 WeakPolarHBondContact OD1-CA 3.43Å; N193-T321 PolarHBondContact ND2-O 3.39Å; N193-T321 PolarHBondContact OD1-N 2.66Å; N193-T321 PolarHBondContact OD1-O 3.46Å; N193-D323 PolarHBondContact ND2-OD1 3.3Å; N193-D323 PolarHBondContact ND2-OD2 2.94Å; N193-D323 VanDerWaalsContact ND2-OD2 3.14Å; N193-F326 HydrophobicContact CB-CB 4.43Å
194	M	98.9	Very high	96.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-59.3	-37.2	-178.1	-63.9	73.1	72.9	0	0	112.3	F71 G180 L182 P191 G192 L196 F197 D198	F71-M194 HydrophobicContact CB-CE 4.13Å; F71-M194 WeakPolarHBondContact O-CE 3.49Å; F71-M194 WeakPolarHBondContact O-CG 3.41Å; G180-M194 CarbonylContact O-C 3.6Å; G180-M194 WeakPolarHBondContact O-CA 3.38Å; G180-M194 VanDerWaalsContact O-CB 3.28Å; G180-M194 WeakPolarHBondContact O-CB 3.47Å; G180-M194 PolarHBondContact O-N 3.44Å; L182-M194 WeakPolarHBondContact O-CE 3.45Å; P191-M194 HydrophobicContact CG-SD 4.21Å; G192-M194 VanDerWaalsContact C-N 3.26Å; G192-M194 VanDerWaalsContact CA-SD 3.57Å; G192-M194 PolarHBondContact N-SD 2.76Å; G192-M194 VanDerWaalsContact N-SD 3.41Å; G192-M194 PolarHBondContact O-N 2.95Å; G192-M194 VanDerWaalsContact O-N 3.17Å; M194-L196 VanDerWaalsContact C-N 3.33Å; M194-L196 PolarHBondContact O-N 3.02Å; M194-F197 CarbonylContact O-C 3.21Å; M194-F197 PolarHBondContact O-N 2.8Å; M194-D198 PolarHBondContact O-N 2.95Å
195	G	98.9	Very high	96.9	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60.3	-37.4	172.4	0	0	0	0	0	113.5	R175 G180 N193 D198 Q199	R175-G195 WeakPolarHBondContact O-CA 3.42Å; G180-G195 PolarHBondContact O-N 3.21Å; N193-G195 VanDerWaalsContact C-N 3.26Å; N193-G195 PolarHBondContact O-N 2.91Å; G195-D198 WeakPolarHBondContact O-CB 3.36Å; G195-D198 PolarHBondContact O-N 3.3Å; G195-Q199 WeakPolarHBondContact O-CG 3.49Å; G195-Q199 PolarHBondContact O-N 3.25Å; G195-Q199 VanDerWaalsContact O-N 3.1Å
196	L	98.9	Very high	97.5	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-70.6	-35.7	173.8	-63.1	173.7	0	0	0	111.8	F181 N193 M194 D198 Q199 Q200 L234 P320 F326	F181-L196 HydrophobicContact CE1-CG 4.04Å; N193-L196 HydrophobicContact CB-CB 4.36Å; N193-L196 HydrophobicContact CB-CD1 4.08Å; N193-L196 WeakPolarHBondContact O-CB 3.42Å; N193-L196 PolarHBondContact O-N 3.42Å; M194-L196 VanDerWaalsContact C-N 3.33Å; M194-L196 PolarHBondContact O-N 3.02Å; L196-D198 VanDerWaalsContact C-N 3.33Å; L196-Q199 PolarHBondContact O-N 3.1Å; L196-Q200 WeakPolarHBondContact O-CB 3.32Å; L196-Q200 PolarHBondContact O-N 3.15Å; L196-L234 HydrophobicContact CD1-CD1 3.98Å; L196-L234 HydrophobicContact CD2-CD1 4.2Å; L196-P320 HydrophobicContact CD1-CB 4.03Å; L196-P320 HydrophobicContact CD1-CG 4.12Å; L196-F326 HydrophobicContact CB-CD1 4.36Å; L196-F326 HydrophobicContact CB-CD2 4.04Å; L196-F326 HydrophobicContact CB-CE1 4.24Å; L196-F326 HydrophobicContact CB-CE2 3.87Å; L196-F326 HydrophobicContact CB-CG 4.28Å; L196-F326 HydrophobicContact CB-CZ 3.97Å; L196-F326 HydrophobicContact CD1-CD1 3.82Å; L196-F326 HydrophobicContact CD1-CE1 3.82Å; L196-F326 HydrophobicContact CD1-CG 4.39Å; L196-F326 HydrophobicContact CD1-CZ 4.35Å; L196-F326 HydrophobicContact CG-CE1 4.46Å
197	F	98.9	Very high	98.2	Very high	16 Å²	16	16.6 Å²	16.6	7%	0.07	9%	0.088	C	C	.	.	H	α-helix	trans	-69.3	-31	172.9	-75.5	-70.5	0	0	0	112.8	K73 P74 N193 M194 Q200 L201 D323 D325 F326	K73-F197 HydrophobicContact CD-CD1 4.36Å; K73-F197 HydrophobicContact CD-CD2 4.16Å; K73-F197 HydrophobicContact CD-CE1 4.37Å; K73-F197 HydrophobicContact CD-CE2 4.2Å; K73-F197 HydrophobicContact CD-CG 4.26Å; K73-F197 HydrophobicContact CD-CZ 4.3Å; K73-F197 HydrophobicContact CG-CD2 3.96Å; K73-F197 HydrophobicContact CG-CE2 4.37Å; K73-F197 HydrophobicContact CG-CG 4.17Å; K73-F197 VanDerWaalsContact NZ-CE1 3.31Å; P74-F197 HydrophobicContact CG-CB 4.09Å; P74-F197 WeakPolarHBondContact CG-O 3.34Å; N193-F197 HydrophobicContact CB-CD2 4.32Å; N193-F197 HydrophobicContact CB-CE2 4.19Å; N193-F197 VanDerWaalsContact O-CD2 3.27Å; N193-F197 WeakPolarHBondContact O-CD2 3.49Å; N193-F197 PolarHBondContact O-N 3.06Å; M194-F197 CarbonylContact O-C 3.21Å; M194-F197 PolarHBondContact O-N 2.8Å; F197-Q200 PolarHBondContact O-N 2.87Å; F197-L201 WeakPolarHBondContact O-CB 3.45Å; F197-L201 PolarHBondContact O-N 3.41Å; F197-D323 WeakPolarHBondContact CE2-OD2 3.32Å; F197-D325 HydrophobicContact CZ-CB 4.3Å; F197-D325 WeakPolarHBondContact CZ-OD1 3.46Å; F197-F326 HydrophobicContact CD1-CD2 4.39Å; F197-F326 HydrophobicContact CE1-CB 4.2Å; F197-F326 HydrophobicContact CE1-CD2 4.14Å; F197-F326 HydrophobicContact CE2-CB 3.78Å; F197-F326 HydrophobicContact CZ-CB 3.51Å; F197-F326 HydrophobicContact CZ-CD2 4.25Å; F197-F326 HydrophobicContact CZ-CG 4.38Å
198	D	98.9	Very high	98.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-61	-51.3	171.3	-66.1	-17.7	0	0	0	109.8	Y61 P74 L121 R175 M194 G195 L196 Q200 L201 A202	Y61-D198 WeakPolarHBondContact CE2-O 3.37Å; Y61-D198 WeakPolarHBondContact OH-CB 3.42Å; Y61-D198 PolarHBondContact OH-O 3.16Å; P74-D198 VanDerWaalsContact CB-OD1 3.25Å; P74-D198 WeakPolarHBondContact CB-OD1 3.44Å; P74-D198 WeakPolarHBondContact CD-OD1 3.41Å; P74-D198 VanDerWaalsContact CG-OD1 3.23Å; P74-D198 WeakPolarHBondContact CG-OD1 3.37Å; L121-D198 HydrophobicContact CD2-CB 4.13Å; L121-D198 WeakPolarHBondContact CD2-OD2 3.23Å; R175-D198 WeakPolarHBondContact CB-OD2 3.5Å; R175-D198 WeakPolarHBondContact CG-OD2 3.49Å; R175-D198 IonicContact CZ-OD1 2.67Å; R175-D198 IonicContact CZ-OD2 2.72Å; R175-D198 PolarHBondContact N-OD2 2.68Å; R175-D198 IonicContact NE-OD1 2.86Å; R175-D198 PolarHBondContact NE-OD1 3.41Å; R175-D198 IonicContact NE-OD2 3.68Å; R175-D198 PolarHBondContact NE-OD2 3.39Å; R175-D198 IonicContact NH2-OD1 3.86Å; R175-D198 PolarHBondContact NH2-OD1 3.08Å; R175-D198 IonicContact NH2-OD2 3.15Å; M194-D198 PolarHBondContact O-N 2.95Å; G195-D198 WeakPolarHBondContact O-CB 3.36Å; G195-D198 PolarHBondContact O-N 3.3Å; L196-D198 VanDerWaalsContact C-N 3.33Å; D198-Q200 PolarHBondContact O-N 2.96Å; D198-L201 PolarHBondContact O-N 2.82Å; D198-A202 PolarHBondContact O-N 3.5Å
199	Q	98.9	Very high	98.7	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-55.6	-50.9	173.1	-63.9	165.4	3.4	0	0	110.9	I141 M172 Y174 G195 L196 L201 A202 L203 S231 H235	I141-Q199 HydrophobicContact CD1-CB 4.47Å; I141-Q199 HydrophobicContact CD1-CG 4.42Å; I141-Q199 HydrophobicContact CG2-CG 4.32Å; M172-Q199 HydrophobicContact SD-CG 4.45Å; Y174-Q199 HydrophobicContact CD1-CG 3.84Å; Y174-Q199 HydrophobicContact CD2-CG 4.4Å; Y174-Q199 HydrophobicContact CG-CG 3.75Å; G195-Q199 WeakPolarHBondContact O-CG 3.49Å; G195-Q199 PolarHBondContact O-N 3.25Å; G195-Q199 VanDerWaalsContact O-N 3.1Å; L196-Q199 PolarHBondContact O-N 3.1Å; Q199-L201 VanDerWaalsContact C-N 3.31Å; Q199-L201 PolarHBondContact O-N 2.96Å; Q199-A202 WeakPolarHBondContact O-CB 3.48Å; Q199-A202 PolarHBondContact O-N 2.96Å; Q199-A202 VanDerWaalsContact O-N 3.07Å; Q199-L203 WeakPolarHBondContact O-CG 3.38Å; Q199-L203 PolarHBondContact O-N 2.83Å; Q199-S231 PolarHBondContact NE2-OG 3.47Å; Q199-H235 WeakPolarHBondContact CB-NE2 3.27Å; Q199-H235 PolarHBondContact OE1-NE2 3.3Å; Q199-H235 VanDerWaalsContact OE1-NE2 3.16Å
200	Q	98.9	Very high	98.7	Very high	19 Å²	19	14.9 Å²	14.9	9%	0.089	7%	0.07	C	C	.	.	H	α-helix	trans	-58.1	-40.4	179.8	-169.4	176.4	-74.1	0	0	112.5	L196 F197 D198 L203 Q204 S241 L244 F326	L196-Q200 WeakPolarHBondContact O-CB 3.32Å; L196-Q200 PolarHBondContact O-N 3.15Å; F197-Q200 PolarHBondContact O-N 2.87Å; D198-Q200 PolarHBondContact O-N 2.96Å; Q200-L203 WeakPolarHBondContact O-CB 3.48Å; Q200-L203 PolarHBondContact O-N 3.07Å; Q200-Q204 WeakPolarHBondContact O-CG 3.23Å; Q200-Q204 PolarHBondContact O-N 3.49Å; Q200-S241 PolarHBondContact OE1-OG 3.39Å; Q200-L244 HydrophobicContact CG-CD1 3.68Å; Q200-F326 HydrophobicContact CB-CE2 4.4Å
201	L	98.9	Very high	98.8	Very high	13 Å²	13	18 Å²	18	7%	0.068	10%	0.095	C	C	.	.	H	α-helix	trans	-69.7	-34.7	177.9	-174.1	61	0	0	0	111.9	Y61 A62 P74 F197 D198 Q199 Q204 W205	Y61-L201 HydrophobicContact CD2-CB 4.35Å; Y61-L201 HydrophobicContact CD2-CD2 4.45Å; Y61-L201 HydrophobicContact CD2-CG 4.22Å; Y61-L201 HydrophobicContact CE2-CB 4.37Å; A62-L201 HydrophobicContact CB-CD2 3.69Å; P74-L201 HydrophobicContact CB-CD2 3.75Å; P74-L201 HydrophobicContact CG-CB 4.19Å; P74-L201 HydrophobicContact CG-CD2 3.92Å; F197-L201 WeakPolarHBondContact O-CB 3.45Å; F197-L201 PolarHBondContact O-N 3.41Å; D198-L201 PolarHBondContact O-N 2.82Å; Q199-L201 VanDerWaalsContact C-N 3.31Å; Q199-L201 PolarHBondContact O-N 2.96Å; L201-Q204 HydrophobicContact CD1-CB 4.47Å; L201-Q204 WeakPolarHBondContact O-CB 3.49Å; L201-Q204 PolarHBondContact O-N 3.12Å; L201-W205 PolarHBondContact O-N 3.35Å
202	A	98.9	Very high	98.8	Very high	2 Å²	2	18.5 Å²	18.5	2%	0.017	10%	0.102	C	C	.	.	H	α-helix	trans	-63.6	-40.3	170	0	0	0	0	0	111.6	Y61 L123 M172 D198 Q199 Q204 W205 V206	Y61-A202 HydrophobicContact CD1-CB 4.21Å; Y61-A202 HydrophobicContact CD2-CB 3.95Å; Y61-A202 HydrophobicContact CE1-CB 4.2Å; Y61-A202 HydrophobicContact CE2-CB 3.97Å; Y61-A202 HydrophobicContact CG-CB 4.08Å; L123-A202 HydrophobicContact CD2-CB 4.26Å; M172-A202 HydrophobicContact CB-CB 3.86Å; M172-A202 HydrophobicContact CE-CB 4.26Å; M172-A202 HydrophobicContact CG-CB 3.79Å; D198-A202 PolarHBondContact O-N 3.5Å; Q199-A202 WeakPolarHBondContact O-CB 3.48Å; Q199-A202 PolarHBondContact O-N 2.96Å; Q199-A202 VanDerWaalsContact O-N 3.07Å; A202-Q204 VanDerWaalsContact C-N 3.34Å; A202-Q204 PolarHBondContact O-N 3.06Å; A202-W205 WeakPolarHBondContact O-CA 3.25Å; A202-W205 WeakPolarHBondContact O-CB 3.42Å; A202-W205 PolarHBondContact O-N 3.36Å; A202-W205 VanDerWaalsContact O-N 3.11Å; A202-V206 PolarHBondContact O-N 3.15Å
203	L	98.9	Very high	98.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-61.7	-42	173	-57.7	-175.1	0	0	0	111.6	I139 Q199 Q200 W205 V206 Q207 L222 L244	I139-L203 HydrophobicContact CD1-CD2 3.51Å; I139-L203 HydrophobicContact CG2-CD2 4Å; Q199-L203 WeakPolarHBondContact O-CG 3.38Å; Q199-L203 PolarHBondContact O-N 2.83Å; Q200-L203 WeakPolarHBondContact O-CB 3.48Å; Q200-L203 PolarHBondContact O-N 3.07Å; L203-W205 VanDerWaalsContact C-N 3.3Å; L203-W205 PolarHBondContact O-N 3.05Å; L203-V206 PolarHBondContact O-N 2.97Å; L203-Q207 WeakPolarHBondContact O-CG 3.35Å; L203-Q207 PolarHBondContact O-N 3.42Å; L203-L222 HydrophobicContact CD1-CD1 4.16Å; L203-L222 HydrophobicContact CD1-CD2 4.13Å; L203-L222 HydrophobicContact CD2-CD2 3.48Å; L203-L222 VanDerWaalsContact CD2-CD2 3.48Å; L203-L222 HydrophobicContact CG-CD2 4.46Å; L203-L244 HydrophobicContact CB-CB 3.89Å; L203-L244 HydrophobicContact CB-CD1 3.92Å; L203-L244 HydrophobicContact CD1-CB 4.36Å
204	Q	98.9	Very high	98.9	Very high	56 Å²	56	18.7 Å²	18.7	26%	0.262	10%	0.103	S	C	.	.	H	α-helix	trans	-62.7	-36.6	173	-68.9	179	8.7	0	0	112.2	Q200 L201 A202 Q207 K208 L244	Q200-Q204 WeakPolarHBondContact O-CG 3.23Å; Q200-Q204 PolarHBondContact O-N 3.49Å; L201-Q204 HydrophobicContact CD1-CB 4.47Å; L201-Q204 WeakPolarHBondContact O-CB 3.49Å; L201-Q204 PolarHBondContact O-N 3.12Å; A202-Q204 VanDerWaalsContact C-N 3.34Å; A202-Q204 PolarHBondContact O-N 3.06Å; Q204-Q207 PolarHBondContact O-N 2.94Å; Q204-K208 WeakPolarHBondContact O-CD 3.49Å; Q204-K208 VanDerWaalsContact O-CG 3.28Å; Q204-K208 WeakPolarHBondContact O-CG 3.3Å; Q204-K208 PolarHBondContact O-N 2.89Å; Q204-K208 VanDerWaalsContact O-N 3.1Å; Q204-L244 HydrophobicContact CG-CD1 3.72Å; Q204-L244 HydrophobicContact CG-CD2 3.84Å; Q204-L244 HydrophobicContact CG-CG 4.47Å
205	W	98.9	Very high	98.9	Very high	8 Å²	8	18.7 Å²	18.7	3%	0.03	10%	0.104	C	C	.	.	H	α-helix	trans	-62	-44.6	173.8	-178.1	103.2	0	0	0	110.7	T36 I59 L123 V125 L201 A202 L203 K208 N209 F213	T36-W205 HydrophobicContact CG2-CZ2 4.14Å; I59-W205 HydrophobicContact CD1-CH2 3.99Å; I59-W205 HydrophobicContact CD1-CZ2 4.08Å; I59-W205 HydrophobicContact CG2-CZ2 3.89Å; L123-W205 HydrophobicContact CD1-CD2 4.36Å; L123-W205 HydrophobicContact CD1-CE3 3.93Å; L123-W205 HydrophobicContact CD1-CH2 3.85Å; L123-W205 HydrophobicContact CD1-CZ2 4.26Å; L123-W205 HydrophobicContact CD1-CZ3 3.67Å; L123-W205 HydrophobicContact CD2-CB 4.27Å; L123-W205 HydrophobicContact CD2-CD2 3.7Å; L123-W205 HydrophobicContact CD2-CE3 3.54Å; L123-W205 HydrophobicContact CD2-CG 4.01Å; L123-W205 HydrophobicContact CD2-CZ3 4.15Å; L123-W205 HydrophobicContact CG-CE3 4.4Å; V125-W205 HydrophobicContact CG2-CH2 4.1Å; V125-W205 HydrophobicContact CG2-CZ3 4.12Å; L201-W205 PolarHBondContact O-N 3.35Å; A202-W205 WeakPolarHBondContact O-CA 3.25Å; A202-W205 WeakPolarHBondContact O-CB 3.42Å; A202-W205 PolarHBondContact O-N 3.36Å; A202-W205 VanDerWaalsContact O-N 3.11Å; L203-W205 VanDerWaalsContact C-N 3.3Å; L203-W205 PolarHBondContact O-N 3.05Å; W205-K208 PolarHBondContact O-N 2.88Å; W205-N209 HydrophobicContact CD2-CB 4.16Å; W205-N209 HydrophobicContact CE3-CB 4.3Å; W205-N209 HydrophobicContact CH2-CB 4.09Å; W205-N209 HydrophobicContact CZ2-CB 3.94Å; W205-N209 HydrophobicContact CZ3-CB 4.27Å; W205-N209 PolarHBondContact NE1-ND2 3.28Å; W205-N209 VanDerWaalsContact O-CB 3.32Å; W205-N209 WeakPolarHBondContact O-CB 3.5Å; W205-N209 PolarHBondContact O-N 3.11Å; W205-N209 PolarHBondContact O-ND2 3.15Å; W205-F213 HydrophobicContact CH2-CD2 4.37Å; W205-F213 AromaticContact CH2-CE2 3.58Å; W205-F213 HydrophobicContact CH2-CE2 3.58Å; W205-F213 AromaticContact CH2-CZ 3.9Å; W205-F213 HydrophobicContact CH2-CZ 3.9Å; W205-F213 HydrophobicContact CZ2-CE2 4.14Å; W205-F213 HydrophobicContact CZ2-CZ 4.38Å
206	V	98.9	Very high	98.9	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.006	11%	0.112	C	C	.	.	H	α-helix	trans	-59.9	-49.2	176.5	173.7	0	0	0	0	110.2	V137 I139 V170 A202 L203 K208 N209 I210 V220	V137-V206 HydrophobicContact CG1-CG1 4.27Å; I139-V206 HydrophobicContact CD1-CB 4.15Å; I139-V206 HydrophobicContact CD1-CG1 4Å; I139-V206 HydrophobicContact CD1-CG2 3.91Å; V170-V206 HydrophobicContact CG1-CG2 3.98Å; V170-V206 HydrophobicContact CG2-CG2 4.32Å; A202-V206 PolarHBondContact O-N 3.15Å; L203-V206 PolarHBondContact O-N 2.97Å; V206-K208 PolarHBondContact O-N 3.15Å; V206-N209 PolarHBondContact O-N 3.27Å; V206-I210 HydrophobicContact CG1-CB 3.7Å; V206-I210 HydrophobicContact CG1-CD1 4.39Å; V206-I210 HydrophobicContact CG1-CG1 3.98Å; V206-I210 HydrophobicContact CG1-CG2 3.83Å; V206-I210 WeakPolarHBondContact O-CB 3.29Å; V206-I210 VanDerWaalsContact O-CG2 3.26Å; V206-I210 WeakPolarHBondContact O-CG2 3.44Å; V206-I210 PolarHBondContact O-N 3.47Å; V206-V220 HydrophobicContact CG1-CG2 4.42Å
207	Q	98.9	Very high	98.9	Very high	55 Å²	55	21.7 Å²	21.7	26%	0.257	12%	0.122	S	C	.	.	H	α-helix	trans	-53.9	-40.1	177.3	-73.9	-61.3	-39.2	0	0	112.9	L203 Q204 P217 L244	L203-Q207 WeakPolarHBondContact O-CG 3.35Å; L203-Q207 PolarHBondContact O-N 3.42Å; Q204-Q207 PolarHBondContact O-N 2.94Å; Q207-P217 PolarHBondContact NE2-O 2.57Å; Q207-P217 PolarHBondContact OE1-O 2.85Å; Q207-L244 HydrophobicContact CG-CB 4.34Å; Q207-L244 HydrophobicContact CG-CD2 3.93Å; Q207-L244 PolarHBondContact NE2-O 3.41Å
208	K	98.7	Very high	98.9	Very high	116 Å²	116	29.4 Å²	29.4	50%	0.504	16%	0.155	S	C	.	.	H	α-helix	trans	-79.9	-27.4	-177.3	-70.2	168.2	-174.8	169.2	0	113.9	K37 Q204 W205 V206	K37-K208 HydrophobicContact CG-CB 4.48Å; Q204-K208 WeakPolarHBondContact O-CD 3.49Å; Q204-K208 VanDerWaalsContact O-CG 3.28Å; Q204-K208 WeakPolarHBondContact O-CG 3.3Å; Q204-K208 PolarHBondContact O-N 2.89Å; Q204-K208 VanDerWaalsContact O-N 3.1Å; W205-K208 PolarHBondContact O-N 2.88Å; V206-K208 PolarHBondContact O-N 3.15Å
209	N	98.9	Very high	98.9	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.021	16%	0.161	C	C	.	.	H	α-helix	trans	-123.3	-26.3	-164.3	-63.8	-69.7	0	0	0	115.1	T36 K37 W205 V206 A211 A212 F213	T36-N209 WeakPolarHBondContact CB-OD1 3.31Å; K37-N209 WeakPolarHBondContact CG-OD1 3.35Å; K37-N209 PolarHBondContact N-OD1 3.17Å; W205-N209 HydrophobicContact CD2-CB 4.16Å; W205-N209 HydrophobicContact CE3-CB 4.3Å; W205-N209 HydrophobicContact CH2-CB 4.09Å; W205-N209 HydrophobicContact CZ2-CB 3.94Å; W205-N209 HydrophobicContact CZ3-CB 4.27Å; W205-N209 PolarHBondContact NE1-ND2 3.28Å; W205-N209 VanDerWaalsContact O-CB 3.32Å; W205-N209 WeakPolarHBondContact O-CB 3.5Å; W205-N209 PolarHBondContact O-N 3.11Å; W205-N209 PolarHBondContact O-ND2 3.15Å; V206-N209 PolarHBondContact O-N 3.27Å; N209-A211 PolarHBondContact O-N 3.49Å; N209-A211 VanDerWaalsContact O-N 3.09Å; N209-A212 VanDerWaalsContact O-CB 3.26Å; N209-A212 WeakPolarHBondContact O-CB 3.14Å; N209-A212 PolarHBondContact O-N 3.01Å; N209-F213 WeakPolarHBondContact O-CD2 3.46Å
210	I	98.9	Very high	98.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-65.4	-23.9	-166.3	-152.3	64.2	0	0	0	113.9	V125 V137 I168 V170 V206 A212 F213 G214 G215 P217	V125-I210 HydrophobicContact CG1-CD1 4.18Å; V137-I210 HydrophobicContact CG1-CG1 4.24Å; V137-I210 HydrophobicContact CG2-CG1 3.76Å; V137-I210 HydrophobicContact CG2-CG2 4.21Å; I168-I210 HydrophobicContact CG2-CD1 3.98Å; I168-I210 HydrophobicContact CG2-CG1 4.44Å; V170-I210 HydrophobicContact CG2-CD1 3.93Å; V206-I210 HydrophobicContact CG1-CB 3.7Å; V206-I210 HydrophobicContact CG1-CD1 4.39Å; V206-I210 HydrophobicContact CG1-CG1 3.98Å; V206-I210 HydrophobicContact CG1-CG2 3.83Å; V206-I210 WeakPolarHBondContact O-CB 3.29Å; V206-I210 VanDerWaalsContact O-CG2 3.26Å; V206-I210 WeakPolarHBondContact O-CG2 3.44Å; V206-I210 PolarHBondContact O-N 3.47Å; I210-A212 PolarHBondContact O-N 2.97Å; I210-F213 HydrophobicContact CD1-CB 4.24Å; I210-F213 HydrophobicContact CD1-CD2 4.41Å; I210-F213 HydrophobicContact CD1-CG 4.49Å; I210-F213 CarbonylContact O-C 3.53Å; I210-F213 WeakPolarHBondContact O-CA 3.44Å; I210-F213 WeakPolarHBondContact O-CB 3.34Å; I210-F213 PolarHBondContact O-N 3.25Å; I210-G214 PolarHBondContact O-N 3.14Å; I210-G215 PolarHBondContact O-N 3.06Å; I210-P217 HydrophobicContact CG2-CB 4.13Å
211	A	98.8	Very high	98.9	Very high	64 Å²	64	29.3 Å²	29.3	53%	0.529	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-58.8	-36.1	171	0	0	0	0	0	112.3	N209 F213 G214 G215	N209-A211 PolarHBondContact O-N 3.49Å; N209-A211 VanDerWaalsContact O-N 3.09Å; A211-F213 PolarHBondContact O-N 3.24Å; A211-G214 PolarHBondContact O-N 3.49Å; A211-G215 VanDerWaalsContact CA-O 3.32Å; A211-G215 WeakPolarHBondContact CA-O 3.5Å
212	A	98.6	Very high	98.9	Very high	35 Å²	35	28.7 Å²	28.7	29%	0.289	15%	0.153	S	C	.	.	G	3₁₀ helix	trans	-65.5	-22.8	174.9	0	0	0	0	0	112.3	I34 K131 N209 I210	I34-A212 HydrophobicContact CG2-CB 3.9Å; K131-A212 WeakPolarHBondContact CE-O 3.46Å; K131-A212 PolarHBondContact NZ-O 3.29Å; N209-A212 VanDerWaalsContact O-CB 3.26Å; N209-A212 WeakPolarHBondContact O-CB 3.14Å; N209-A212 PolarHBondContact O-N 3.01Å; I210-A212 PolarHBondContact O-N 2.97Å
213	F	98.7	Very high	98.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-90.8	-3.2	175.1	-66.1	-95.7	0	0	0	112.9	I34 T36 V41 F56 I59 V125 I127 K131 I168 W205 N209 I210 A211	I34-F213 HydrophobicContact CB-CE1 4.08Å; I34-F213 HydrophobicContact CB-CZ 4.21Å; I34-F213 HydrophobicContact CG1-CD1 4.24Å; I34-F213 HydrophobicContact CG1-CE1 4.17Å; I34-F213 HydrophobicContact CG2-CD1 4.17Å; I34-F213 HydrophobicContact CG2-CD2 4.07Å; I34-F213 HydrophobicContact CG2-CE1 3.93Å; I34-F213 HydrophobicContact CG2-CE2 3.81Å; I34-F213 HydrophobicContact CG2-CG 4.24Å; I34-F213 HydrophobicContact CG2-CZ 3.74Å; T36-F213 HydrophobicContact CG2-CE2 4.07Å; T36-F213 HydrophobicContact CG2-CZ 4.11Å; V41-F213 HydrophobicContact CG2-CE1 4.22Å; V41-F213 HydrophobicContact CG2-CZ 3.88Å; F56-F213 HydrophobicContact CD1-CE1 4.1Å; F56-F213 AromaticContact CD2-CD1 3.97Å; F56-F213 HydrophobicContact CD2-CD1 3.97Å; F56-F213 AromaticContact CD2-CE1 3.68Å; F56-F213 HydrophobicContact CD2-CE1 3.68Å; F56-F213 HydrophobicContact CE1-CE1 4.21Å; F56-F213 AromaticContact CE2-CD1 3.87Å; F56-F213 HydrophobicContact CE2-CD1 3.87Å; F56-F213 AromaticContact CE2-CE1 3.81Å; F56-F213 HydrophobicContact CE2-CE1 3.81Å; F56-F213 AromaticContact CG-CE1 3.84Å; F56-F213 HydrophobicContact CG-CE1 3.84Å; F56-F213 HydrophobicContact CZ-CD1 4.39Å; F56-F213 HydrophobicContact CZ-CE1 4.09Å; I59-F213 HydrophobicContact CD1-CE1 4.38Å; I59-F213 HydrophobicContact CD1-CZ 4Å; V125-F213 HydrophobicContact CG1-CD1 4.03Å; V125-F213 HydrophobicContact CG1-CG 4.36Å; I127-F213 HydrophobicContact CG2-CB 4.08Å; I127-F213 HydrophobicContact CG2-CD1 4.36Å; K131-F213 VanDerWaalsContact CE-C 3.48Å; I168-F213 HydrophobicContact CD1-CB 4.23Å; W205-F213 HydrophobicContact CH2-CD2 4.37Å; W205-F213 AromaticContact CH2-CE2 3.58Å; W205-F213 HydrophobicContact CH2-CE2 3.58Å; W205-F213 AromaticContact CH2-CZ 3.9Å; W205-F213 HydrophobicContact CH2-CZ 3.9Å; W205-F213 HydrophobicContact CZ2-CE2 4.14Å; W205-F213 HydrophobicContact CZ2-CZ 4.38Å; N209-F213 WeakPolarHBondContact O-CD2 3.46Å; I210-F213 HydrophobicContact CD1-CB 4.24Å; I210-F213 HydrophobicContact CD1-CD2 4.41Å; I210-F213 HydrophobicContact CD1-CG 4.49Å; I210-F213 CarbonylContact O-C 3.53Å; I210-F213 WeakPolarHBondContact O-CA 3.44Å; I210-F213 WeakPolarHBondContact O-CB 3.34Å; I210-F213 PolarHBondContact O-N 3.25Å; A211-F213 PolarHBondContact O-N 3.24Å
214	G	98.8	Very high	98.9	Very high	3 Å²	3	28.7 Å²	28.7	3%	0.031	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.5	11.1	-177	0	0	0	0	0	114.6	P132 K133 N134 A135 I210 A211	P132-G214 WeakPolarHBondContact O-CA 3.37Å; K133-G214 CarbonylContact C-O 3.29Å; N134-G214 CarbonylContact C-O 3.51Å; N134-G214 WeakPolarHBondContact CA-O 3.25Å; N134-G214 PolarHBondContact N-O 3.33Å; N134-G214 VanDerWaalsContact N-O 3.17Å; A135-G214 PolarHBondContact N-O 3.43Å; I210-G214 PolarHBondContact O-N 3.14Å; A211-G214 PolarHBondContact O-N 3.49Å
215	G	98.9	Very high	98.9	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.01	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	156.8	178.1	0	0	0	0	0	113.3	A135 I168 I210 A211 P217	A135-G215 CarbonylContact O-C 3.56Å; A135-G215 WeakPolarHBondContact O-CA 3.35Å; I168-G215 VanDerWaalsContact CD1-CA 3.46Å; I168-G215 VanDerWaalsContact CD1-N 3.3Å; I210-G215 PolarHBondContact O-N 3.06Å; A211-G215 VanDerWaalsContact CA-O 3.32Å; A211-G215 WeakPolarHBondContact CA-O 3.5Å; G215-P217 WeakPolarHBondContact O-CD 3.46Å
216	N	98.9	Very high	98.9	Very high	32 Å²	32	26.4 Å²	26.4	17%	0.171	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	108.5	176.2	-173.9	-4.5	0	0	0	110.6	N134 A135 K218 S219	N134-N216 PolarHBondContact ND2-ND2 2.87Å; N134-N216 WeakPolarHBondContact OD1-CA 3.41Å; N134-N216 WeakPolarHBondContact OD1-CB 3.41Å; N134-N216 VanDerWaalsContact OD1-CG 3.26Å; A135-N216 PolarHBondContact O-N 2.78Å; N216-K218 PolarHBondContact O-N 2.82Å; N216-K218 VanDerWaalsContact O-N 3.09Å; N216-K218 WeakPolarHBondContact OD1-CB 3.46Å; N216-K218 PolarHBondContact OD1-N 2.92Å; N216-S219 CarbonylContact O-C 3.51Å; N216-S219 PolarHBondContact O-N 2.93Å
217	P	98.8	Very high	98.9	Very high	31 Å²	31	26.3 Å²	26.3	20%	0.201	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	-15.8	177.6	26.5	-34.2	0	0	0	113.3	Q207 I210 G215 V220	Q207-P217 PolarHBondContact NE2-O 2.57Å; Q207-P217 PolarHBondContact OE1-O 2.85Å; I210-P217 HydrophobicContact CG2-CB 4.13Å; G215-P217 WeakPolarHBondContact O-CD 3.46Å; P217-V220 WeakPolarHBondContact O-CG2 3.41Å
218	K	98.8	Very high	98.9	Very high	178 Å²	178	23.7 Å²	23.7	77%	0.774	13%	0.131	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90.2	-4	176	-58.1	-179.4	178	-178.4	0	113.8	N216 T246	N216-K218 PolarHBondContact O-N 2.82Å; N216-K218 VanDerWaalsContact O-N 3.09Å; N216-K218 WeakPolarHBondContact OD1-CB 3.46Å; N216-K218 PolarHBondContact OD1-N 2.92Å; K218-T246 VanDerWaalsContact C-OG1 3.28Å; K218-T246 PolarHBondContact O-OG1 2.73Å
219	S	98.9	Very high	98.9	Very high	17 Å²	17	18.2 Å²	18.2	12%	0.119	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	71.6	179.9	-168.5	0	0	0	0	109.1	T136 V137 N216	T136-S219 WeakPolarHBondContact CA-O 3.42Å; T136-S219 PolarHBondContact OG1-OG 3.47Å; V137-S219 PolarHBondContact N-O 2.78Å; N216-S219 CarbonylContact O-C 3.51Å; N216-S219 PolarHBondContact O-N 2.93Å
220	V	98.9	Very high	98.9	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	126.9	-177.2	174.6	0	0	0	0	108.4	V137 I139 V206 P217 F245 T246 R247	V137-V220 HydrophobicContact CB-CG2 4.13Å; V137-V220 HydrophobicContact CG2-CG2 4.41Å; V137-V220 CarbonylContact O-C 3.47Å; V137-V220 WeakPolarHBondContact O-CA 3.24Å; I139-V220 HydrophobicContact CD1-CG1 3.34Å; I139-V220 HydrophobicContact CG1-CG1 3.86Å; V206-V220 HydrophobicContact CG1-CG2 4.42Å; P217-V220 WeakPolarHBondContact O-CG2 3.41Å; V220-F245 HydrophobicContact CB-CB 4.36Å; V220-F245 HydrophobicContact CG1-CB 3.99Å; V220-T246 PolarHBondContact N-OG1 2.92Å; V220-T246 VanDerWaalsContact N-OG1 3.11Å; V220-T246 VanDerWaalsContact O-CA 3.29Å; V220-T246 WeakPolarHBondContact O-CA 3.42Å; V220-T246 WeakPolarHBondContact O-CB 3.5Å; V220-T246 PolarHBondContact O-N 2.79Å; V220-T246 PolarHBondContact O-OG1 2.75Å; V220-R247 PolarHBondContact O-N 3.44Å
221	T	99	Very high	98.9	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	123.9	177	-64.2	0	0	0	0	108.7	V137 L138 I139 R247 I249 F502 A503	V137-T221 PolarHBondContact O-N 3.03Å; L138-T221 WeakPolarHBondContact CA-O 3.23Å; L138-T221 HydrophobicContact CD2-CG2 4.1Å; I139-T221 PolarHBondContact N-O 3.45Å; T221-R247 WeakPolarHBondContact CA-O 3.24Å; T221-R247 HydrophobicContact CG2-CB 4.1Å; T221-I249 HydrophobicContact CG2-CD1 4.04Å; T221-I249 HydrophobicContact CG2-CG1 3.87Å; T221-F502 HydrophobicContact CG2-CD1 4.39Å; T221-F502 HydrophobicContact CG2-CE1 4.25Å; T221-A503 HydrophobicContact CG2-CB 4.06Å; T221-A503 WeakPolarHBondContact OG1-CA 3.32Å; T221-A503 WeakPolarHBondContact OG1-CB 3.34Å
222	L	99	Very high	98.9	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	139.6	168.7	-51.7	-174.5	0	0	0	108.4	I139 L203 D232 H235 F245 R247 A248 I249	I139-L222 HydrophobicContact CB-CD2 4Å; I139-L222 HydrophobicContact CD1-CD2 4.13Å; I139-L222 HydrophobicContact CG2-CD2 4.46Å; L203-L222 HydrophobicContact CD1-CD1 4.16Å; L203-L222 HydrophobicContact CD1-CD2 4.13Å; L203-L222 HydrophobicContact CD2-CD2 3.48Å; L203-L222 VanDerWaalsContact CD2-CD2 3.48Å; L203-L222 HydrophobicContact CG-CD2 4.46Å; L222-D232 HydrophobicContact CB-CB 4.45Å; L222-D232 WeakPolarHBondContact CB-OD1 3.39Å; L222-H235 HydrophobicContact CD1-CB 3.85Å; L222-F245 HydrophobicContact CD1-CB 4.34Å; L222-F245 HydrophobicContact CD1-CD1 3.82Å; L222-F245 HydrophobicContact CD1-CD2 3.93Å; L222-F245 HydrophobicContact CD1-CE1 4.01Å; L222-F245 HydrophobicContact CD1-CE2 4.08Å; L222-F245 HydrophobicContact CD1-CG 3.77Å; L222-F245 HydrophobicContact CD1-CZ 4.11Å; L222-F245 HydrophobicContact CD2-CB 4.01Å; L222-F245 HydrophobicContact CD2-CG 4.35Å; L222-F245 HydrophobicContact CG-CB 3.9Å; L222-F245 HydrophobicContact CG-CD1 4.3Å; L222-F245 HydrophobicContact CG-CD2 3.83Å; L222-F245 HydrophobicContact CG-CE2 4.38Å; L222-F245 HydrophobicContact CG-CG 3.76Å; L222-R247 PolarHBondContact N-O 2.85Å; L222-A248 CarbonylContact O-C 3.51Å; L222-A248 WeakPolarHBondContact O-CA 3.19Å; L222-I249 PolarHBondContact O-N 2.91Å
223	F	98.9	Very high	98.9	Very high	1 Å²	1	13.3 Å²	13.3	0%	0.004	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	136.4	168.5	75.1	-57	0	0	0	109.5	L138 I139 W140 I141 L161 D232 I249 V473 F474	L138-F223 HydrophobicContact CB-CD1 4.08Å; L138-F223 HydrophobicContact CB-CE1 3.73Å; L138-F223 HydrophobicContact CB-CZ 4.45Å; L138-F223 HydrophobicContact CD2-CD1 4.23Å; I139-F223 VanDerWaalsContact C-CD1 3.45Å; I139-F223 VanDerWaalsContact C-CE1 3.5Å; I139-F223 VanDerWaalsContact O-CD1 3.23Å; I139-F223 WeakPolarHBondContact O-CD1 3.48Å; I139-F223 PolarHBondContact O-N 2.99Å; W140-F223 VanDerWaalsContact CA-O 3.25Å; W140-F223 WeakPolarHBondContact CA-O 3.25Å; W140-F223 HydrophobicContact CB-CD1 4.37Å; W140-F223 HydrophobicContact CB-CE1 3.63Å; W140-F223 HydrophobicContact CB-CZ 3.79Å; W140-F223 HydrophobicContact CD2-CE2 4.36Å; W140-F223 HydrophobicContact CD2-CZ 4.32Å; W140-F223 HydrophobicContact CE3-CD1 4.27Å; W140-F223 AromaticContact CE3-CD2 3.53Å; W140-F223 HydrophobicContact CE3-CD2 3.53Å; W140-F223 HydrophobicContact CE3-CE1 4.16Å; W140-F223 AromaticContact CE3-CE2 3.43Å; W140-F223 HydrophobicContact CE3-CE2 3.43Å; W140-F223 VanDerWaalsContact CE3-CE2 3.43Å; W140-F223 AromaticContact CE3-CG 3.94Å; W140-F223 HydrophobicContact CE3-CG 3.94Å; W140-F223 AromaticContact CE3-CZ 3.76Å; W140-F223 HydrophobicContact CE3-CZ 3.76Å; W140-F223 HydrophobicContact CG-CZ 4.39Å; W140-F223 AromaticContact CZ3-CD2 3.82Å; W140-F223 HydrophobicContact CZ3-CD2 3.82Å; W140-F223 AromaticContact CZ3-CE2 3.94Å; W140-F223 HydrophobicContact CZ3-CE2 3.94Å; W140-F223 HydrophobicContact CZ3-CG 4.47Å; W140-F223 VanDerWaalsContact N-CE1 3.33Å; I141-F223 PolarHBondContact N-O 3.01Å; L161-F223 HydrophobicContact CD1-CE2 4.48Å; L161-F223 HydrophobicContact CD1-CZ 4.35Å; F223-D232 WeakPolarHBondContact CA-OD2 3.41Å; F223-D232 PolarHBondContact N-OD2 3.15Å; F223-I249 WeakPolarHBondContact CA-O 3.42Å; F223-I249 HydrophobicContact CB-CB 3.64Å; F223-I249 HydrophobicContact CB-CD1 4.13Å; F223-I249 HydrophobicContact CB-CG1 4.21Å; F223-I249 HydrophobicContact CB-CG2 4.32Å; F223-V473 HydrophobicContact CD2-CG1 4.33Å; F223-V473 HydrophobicContact CE2-CG1 4.13Å; F223-F474 HydrophobicContact CE2-CE1 4.5Å; F223-F474 AromaticContact CE2-CE2 3.8Å; F223-F474 HydrophobicContact CE2-CE2 3.8Å; F223-F474 AromaticContact CE2-CZ 3.72Å; F223-F474 HydrophobicContact CE2-CZ 3.72Å; F223-F474 HydrophobicContact CZ-CE1 4.15Å; F223-F474 HydrophobicContact CZ-CE2 4.21Å; F223-F474 AromaticContact CZ-CZ 3.63Å; F223-F474 HydrophobicContact CZ-CZ 3.63Å
224	G	98.9	Very high	98.9	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	165.9	-177.3	0	0	0	0	0	110.7	I141 A229 D232 I249 Q251	I141-G224 WeakPolarHBondContact O-CA 3.37Å; G224-A229 WeakPolarHBondContact O-CB 3.48Å; G224-D232 PolarHBondContact N-OD2 3.13Å; G224-I249 PolarHBondContact N-O 3.03Å; G224-Q251 WeakPolarHBondContact O-CB 3.28Å; G224-Q251 PolarHBondContact O-N 3.21Å
225	E	98.9	Very high	98.9	Very high	6 Å²	6	13.1 Å²	13.1	3%	0.028	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	145.3	178.9	-172.4	-79.7	160	0	0	110.5	W140 G143 A227 G228 A229 Q251 H466 G467 E469 I470	W140-E225 HydrophobicContact CH2-CB 3.54Å; W140-E225 HydrophobicContact CZ2-CB 4.32Å; W140-E225 HydrophobicContact CZ3-CB 4.34Å; G143-E225 WeakPolarHBondContact CA-O 3.21Å; G143-E225 PolarHBondContact N-O 3.47Å; E225-A227 PolarHBondContact O-N 3.13Å; E225-G228 VanDerWaalsContact O-CA 3.3Å; E225-G228 WeakPolarHBondContact O-CA 3.47Å; E225-G228 PolarHBondContact O-N 2.79Å; E225-A229 PolarHBondContact O-N 2.92Å; E225-Q251 CarbonylContact C-O 3.57Å; E225-Q251 WeakPolarHBondContact CA-O 3.38Å; E225-Q251 HydrophobicContact CB-CB 3.99Å; E225-Q251 HydrophobicContact CG-CB 3.99Å; E225-H466 IonicContact OE1-CD2 3.62Å; E225-H466 IonicContact OE1-CE1 3.61Å; E225-H466 PolarHBondContact OE1-CE1 3.08Å; E225-H466 IonicContact OE1-CG 3.63Å; E225-H466 IonicContact OE1-ND1 2.76Å; E225-H466 IonicContact OE1-NE2 2.71Å; E225-H466 PolarHBondContact OE1-NE2 2.87Å; E225-G467 WeakPolarHBondContact OE1-CA 3.04Å; E225-G467 PolarHBondContact OE1-N 3.02Å; E225-E469 VanDerWaalsContact CG-OE1 3.32Å; E225-E469 WeakPolarHBondContact CG-OE1 3.4Å; E225-I470 HydrophobicContact CB-CD1 3.85Å; E225-I470 HydrophobicContact CB-CG1 4.13Å; E225-I470 HydrophobicContact CG-CD1 3.69Å; E225-I470 HydrophobicContact CG-CG1 3.9Å
226	S	98.9	Very high	98.9	Very high	10 Å²	10	13.1 Å²	13.1	7%	0.07	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	-123.1	178.8	-169.2	0	0	0	0	111.8	G228 A229 A230 Q251 S252 H466	S226-G228 PolarHBondContact O-N 3.48Å; S226-A229 WeakPolarHBondContact O-CB 3.28Å; S226-A229 PolarHBondContact O-N 2.86Å; S226-A230 PolarHBondContact O-N 3.25Å; S226-Q251 PolarHBondContact N-O 2.91Å; S226-S252 WeakPolarHBondContact CA-O 3.06Å; S226-H466 WeakPolarHBondContact CB-NE2 3.41Å; S226-H466 PolarHBondContact OG-CE1 3.16Å; S226-H466 PolarHBondContact OG-NE2 2.84Å
227	A	98.9	Very high	98.9	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-57.5	-25.9	173.3	0	0	0	0	0	113.9	F146 E225 S231 W259	F146-A227 HydrophobicContact CD1-CB 4.04Å; F146-A227 HydrophobicContact CD2-CB 3.84Å; F146-A227 HydrophobicContact CE1-CB 4Å; F146-A227 WeakPolarHBondContact CE1-O 3.47Å; F146-A227 HydrophobicContact CE2-CB 3.79Å; F146-A227 HydrophobicContact CG-CB 3.97Å; F146-A227 HydrophobicContact CZ-CB 3.88Å; F146-A227 WeakPolarHBondContact CZ-O 3.37Å; E225-A227 PolarHBondContact O-N 3.13Å; A227-S231 WeakPolarHBondContact O-CB 3.32Å; A227-S231 PolarHBondContact O-N 3.35Å; A227-S231 PolarHBondContact O-OG 3.36Å; A227-W259 HydrophobicContact CB-CZ3 4.21Å
228	G	98.9	Very high	98.9	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-69.2	-41.5	170.7	0	0	0	0	0	112.4	I141 Y142 E225 S226 S231 D232	I141-G228 WeakPolarHBondContact O-CA 3.39Å; Y142-G228 WeakPolarHBondContact O-CA 3.44Å; E225-G228 VanDerWaalsContact O-CA 3.3Å; E225-G228 WeakPolarHBondContact O-CA 3.47Å; E225-G228 PolarHBondContact O-N 2.79Å; S226-G228 PolarHBondContact O-N 3.48Å; G228-S231 VanDerWaalsContact O-CB 3.29Å; G228-S231 WeakPolarHBondContact O-CB 3.47Å; G228-S231 PolarHBondContact O-N 2.76Å; G228-D232 PolarHBondContact O-N 3.25Å
229	A	98.9	Very high	98.9	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-67	-38.1	173.2	0	0	0	0	0	112.1	G224 E225 S226 S231 D232 S233 L250 Q251 G253	G224-A229 WeakPolarHBondContact O-CB 3.48Å; E225-A229 PolarHBondContact O-N 2.92Å; S226-A229 WeakPolarHBondContact O-CB 3.28Å; S226-A229 PolarHBondContact O-N 2.86Å; A229-S231 VanDerWaalsContact C-N 3.33Å; A229-D232 PolarHBondContact O-N 2.93Å; A229-S233 PolarHBondContact O-N 3.38Å; A229-L250 HydrophobicContact CB-CB 4.09Å; A229-Q251 VanDerWaalsContact CB-O 3.23Å; A229-Q251 WeakPolarHBondContact CB-O 3.24Å; A229-G253 VanDerWaalsContact CB-O 3.32Å; A229-G253 WeakPolarHBondContact CB-O 3.39Å
230	A	98.9	Very high	98.9	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-60.4	-43.5	169.6	0	0	0	0	0	110.9	F146 S226 D232 S233 L234 W259 A260	F146-A230 HydrophobicContact CE2-CB 4.48Å; F146-A230 HydrophobicContact CZ-CB 3.98Å; S226-A230 PolarHBondContact O-N 3.25Å; A230-D232 PolarHBondContact O-N 3.27Å; A230-S233 PolarHBondContact O-N 3.15Å; A230-S233 PolarHBondContact O-OG 3.18Å; A230-L234 VanDerWaalsContact O-CG 3.29Å; A230-L234 WeakPolarHBondContact O-CG 3.48Å; A230-L234 PolarHBondContact O-N 2.91Å; A230-W259 HydrophobicContact CB-CH2 3.86Å; A230-W259 HydrophobicContact CB-CZ3 3.94Å; A230-A260 HydrophobicContact CB-CB 4.09Å
231	S	98.9	Very high	98.9	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-58.5	-45.9	174	-58.5	0	0	0	0	112.4	F146 Q199 A227 G228 A229 S233 L234 H235	F146-S231 WeakPolarHBondContact CE1-OG 3.3Å; Q199-S231 PolarHBondContact NE2-OG 3.47Å; A227-S231 WeakPolarHBondContact O-CB 3.32Å; A227-S231 PolarHBondContact O-N 3.35Å; A227-S231 PolarHBondContact O-OG 3.36Å; G228-S231 VanDerWaalsContact O-CB 3.29Å; G228-S231 WeakPolarHBondContact O-CB 3.47Å; G228-S231 PolarHBondContact O-N 2.76Å; A229-S231 VanDerWaalsContact C-N 3.33Å; S231-S233 VanDerWaalsContact C-N 3.29Å; S231-S233 PolarHBondContact O-N 2.96Å; S231-L234 WeakPolarHBondContact O-CB 3.43Å; S231-L234 PolarHBondContact O-N 2.94Å; S231-L234 VanDerWaalsContact O-N 3.1Å; S231-H235 PolarHBondContact O-CD2 3.44Å; S231-H235 PolarHBondContact O-N 2.99Å
232	D	98.9	Very high	98.8	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-58.5	-41.9	175.9	-76.1	-7.4	0	0	0	111.9	I141 L222 F223 G224 G228 A229 A230 L234 H235 L236 L250	I141-D232 VanDerWaalsContact CD1-OD1 3.31Å; I141-D232 WeakPolarHBondContact CD1-OD1 3.03Å; L222-D232 HydrophobicContact CB-CB 4.45Å; L222-D232 WeakPolarHBondContact CB-OD1 3.39Å; F223-D232 WeakPolarHBondContact CA-OD2 3.41Å; F223-D232 PolarHBondContact N-OD2 3.15Å; G224-D232 PolarHBondContact N-OD2 3.13Å; G228-D232 PolarHBondContact O-N 3.25Å; A229-D232 PolarHBondContact O-N 2.93Å; A230-D232 PolarHBondContact O-N 3.27Å; D232-L234 VanDerWaalsContact C-N 3.34Å; D232-H235 PolarHBondContact O-N 2.89Å; D232-L236 PolarHBondContact O-N 2.93Å; D232-L236 VanDerWaalsContact O-N 3.15Å; D232-L250 HydrophobicContact CB-CG 4.45Å
233	S	98.9	Very high	98.8	Very high	0 Å²	0	14 Å²	14	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-66.3	-35.6	175.9	80.1	0	0	0	0	112.6	A229 A230 S231 L236 L237 F255	A229-S233 PolarHBondContact O-N 3.38Å; A230-S233 PolarHBondContact O-N 3.15Å; A230-S233 PolarHBondContact O-OG 3.18Å; S231-S233 VanDerWaalsContact C-N 3.29Å; S231-S233 PolarHBondContact O-N 2.96Å; S233-L236 WeakPolarHBondContact O-CB 3.23Å; S233-L236 PolarHBondContact O-N 2.99Å; S233-L237 PolarHBondContact O-N 3.22Å; S233-F255 VanDerWaalsContact OG-CB 3.3Å; S233-F255 WeakPolarHBondContact OG-CB 3.34Å; S233-F255 WeakPolarHBondContact OG-CD1 3.37Å; S233-F255 PolarHBondContact OG-N 3.41Å
234	L	98.9	Very high	98.8	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-69.8	-36.8	174.9	-71	175.1	0	0	0	111.7	L196 A230 S231 D232 L236 L237 S238 F255 V261 P320 F326 L327	L196-L234 HydrophobicContact CD1-CD1 3.98Å; L196-L234 HydrophobicContact CD2-CD1 4.2Å; A230-L234 VanDerWaalsContact O-CG 3.29Å; A230-L234 WeakPolarHBondContact O-CG 3.48Å; A230-L234 PolarHBondContact O-N 2.91Å; S231-L234 WeakPolarHBondContact O-CB 3.43Å; S231-L234 PolarHBondContact O-N 2.94Å; S231-L234 VanDerWaalsContact O-N 3.1Å; D232-L234 VanDerWaalsContact C-N 3.34Å; L234-L236 VanDerWaalsContact C-N 3.26Å; L234-L236 PolarHBondContact O-N 3.48Å; L234-L237 HydrophobicContact CD2-CD1 4.5Å; L234-L237 WeakPolarHBondContact O-CB 3.3Å; L234-L237 PolarHBondContact O-N 3.28Å; L234-S238 PolarHBondContact O-N 2.67Å; L234-F255 HydrophobicContact CD2-CB 3.53Å; L234-F255 HydrophobicContact CD2-CG 4.2Å; L234-F255 HydrophobicContact CG-CB 3.84Å; L234-V261 HydrophobicContact CD2-CG2 4.38Å; L234-P320 HydrophobicContact CD1-CB 3.77Å; L234-P320 HydrophobicContact CD1-CG 3.68Å; L234-F326 HydrophobicContact CB-CE1 4.03Å; L234-L327 HydrophobicContact CD2-CD1 3.83Å; L234-L327 HydrophobicContact CD2-CD2 4.07Å; L234-L327 HydrophobicContact CD2-CG 4.3Å
235	H	98.9	Very high	98.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-65.5	-25.9	171.9	-77.5	-62.4	0	0	0	113.1	Q199 L222 S231 D232 L237 S241 F245 F326	Q199-H235 WeakPolarHBondContact CB-NE2 3.27Å; Q199-H235 PolarHBondContact OE1-NE2 3.3Å; Q199-H235 VanDerWaalsContact OE1-NE2 3.16Å; L222-H235 HydrophobicContact CD1-CB 3.85Å; S231-H235 PolarHBondContact O-CD2 3.44Å; S231-H235 PolarHBondContact O-N 2.99Å; D232-H235 PolarHBondContact O-N 2.89Å; H235-L237 VanDerWaalsContact C-N 3.29Å; H235-S241 PolarHBondContact ND1-OG 3.22Å; H235-S241 WeakPolarHBondContact O-CB 3.49Å; H235-F245 HydrophobicContact CB-CE1 4.01Å; H235-F245 HydrophobicContact CB-CZ 4.27Å; H235-F245 WeakPolarHBondContact O-CE1 3.3Å; H235-F326 AromaticContact CE1-CE2 3.76Å; H235-F326 AromaticContact CE1-CZ 3.69Å; H235-F326 AromaticContact ND1-CE2 3.8Å; H235-F326 AromaticContact ND1-CZ 3.5Å; H235-F326 WeakPolarHBondContact ND1-CZ 3.21Å
236	L	98.9	Very high	98.8	Very high	1 Å²	1	16 Å²	16	1%	0.005	11%	0.106	C	C	.	.	H	α-helix	trans	-68.1	-28.3	169.5	-71	167	0	0	0	112.4	D232 S233 L234 H242 F245 A248 F340 K341 T343 I345 F433 F437	D232-L236 PolarHBondContact O-N 2.93Å; D232-L236 VanDerWaalsContact O-N 3.15Å; S233-L236 WeakPolarHBondContact O-CB 3.23Å; S233-L236 PolarHBondContact O-N 2.99Å; L234-L236 VanDerWaalsContact C-N 3.26Å; L234-L236 PolarHBondContact O-N 3.48Å; L236-H242 PolarHBondContact O-NE2 3.35Å; L236-F245 HydrophobicContact CD2-CE2 3.69Å; L236-F245 HydrophobicContact CD2-CZ 3.75Å; L236-F245 HydrophobicContact CG-CE2 4.33Å; L236-F245 HydrophobicContact CG-CZ 4.14Å; L236-A248 HydrophobicContact CD1-CB 4.02Å; L236-A248 HydrophobicContact CD2-CB 4.31Å; L236-A248 HydrophobicContact CG-CB 4.26Å; L236-F340 CarbonylContact O-C 3.6Å; L236-F340 WeakPolarHBondContact O-CA 3.49Å; L236-F340 WeakPolarHBondContact O-CB 3.41Å; L236-K341 HydrophobicContact CD2-CB 4.08Å; L236-K341 HydrophobicContact CD2-CD 4.18Å; L236-K341 HydrophobicContact CD2-CG 4.49Å; L236-K341 PolarHBondContact O-N 3.5Å; L236-T343 HydrophobicContact CD2-CG2 3.9Å; L236-I345 HydrophobicContact CD1-CG2 4.03Å; L236-F433 HydrophobicContact CD1-CZ 3.97Å; L236-F437 HydrophobicContact CD1-CE2 4.07Å
237	L	98.8	Very high	98.8	Very high	4 Å²	4	17.7 Å²	17.7	2%	0.021	11%	0.111	C	C	.	.	H	α-helix	trans	-87.7	-33.9	178.8	-56.5	-173.9	0	0	0	112.8	S233 L234 H235 P239 F255 L327 P331 L334 F340	S233-L237 PolarHBondContact O-N 3.22Å; L234-L237 HydrophobicContact CD2-CD1 4.5Å; L234-L237 WeakPolarHBondContact O-CB 3.3Å; L234-L237 PolarHBondContact O-N 3.28Å; H235-L237 VanDerWaalsContact C-N 3.29Å; L237-P239 WeakPolarHBondContact O-CD 3.38Å; L237-F255 HydrophobicContact CD1-CD1 3.74Å; L237-F255 HydrophobicContact CD1-CE1 3.59Å; L237-F255 HydrophobicContact CD1-CE2 4.43Å; L237-F255 HydrophobicContact CD1-CG 4.23Å; L237-F255 HydrophobicContact CD1-CZ 3.98Å; L237-F255 HydrophobicContact CD2-CE1 4.1Å; L237-F255 HydrophobicContact CG-CD1 4.29Å; L237-F255 HydrophobicContact CG-CE1 4.06Å; L237-L327 HydrophobicContact CB-CD2 4.12Å; L237-L327 HydrophobicContact CD1-CD2 4.13Å; L237-P331 HydrophobicContact CD1-CB 3.29Å; L237-L334 HydrophobicContact CB-CD1 4.25Å; L237-L334 HydrophobicContact CD1-CB 4.47Å; L237-L334 HydrophobicContact CD1-CD1 4.39Å; L237-L334 HydrophobicContact CD2-CB 4.3Å; L237-F340 HydrophobicContact CD2-CB 3.63Å
238	S	98.8	Very high	98.8	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.007	11%	0.111	C	C	.	.			trans	-73	120.4	-172.2	-174.6	0	0	0	0	112.5	L234 G240 S241 H242 F326	L234-S238 PolarHBondContact O-N 2.67Å; S238-G240 PolarHBondContact O-N 3.13Å; S238-S241 PolarHBondContact O-N 2.8Å; S238-H242 PolarHBondContact O-CD2 3.43Å; S238-H242 PolarHBondContact O-N 3.4Å; S238-F326 VanDerWaalsContact CB-O 3.23Å; S238-F326 WeakPolarHBondContact CB-O 3.16Å; S238-F326 PolarHBondContact OG-O 3.29Å
239	P	98.2	Very high	98.8	Very high	71 Å²	71	17.7 Å²	17.7	46%	0.461	11%	0.111	S	C	.	.	G	3₁₀ helix	trans	-58	-36.4	178.9	-25.2	35	0	0	0	113.3	L237 S241 H242	L237-P239 WeakPolarHBondContact O-CD 3.38Å; P239-S241 PolarHBondContact O-N 3.33Å; P239-H242 PolarHBondContact O-N 2.91Å
240	G	98.4	Very high	98.8	Very high	41 Å²	41	17.7 Å²	17.7	42%	0.423	11%	0.111	S	C	.	.	G	3₁₀ helix	trans	-66.4	-17.1	178.8	0	0	0	0	0	114	S238	S238-G240 PolarHBondContact O-N 3.13Å
241	S	98.8	Very high	98.8	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-100.1	-17.7	-179.9	-66	0	0	0	0	113.8	Q200 H235 S238 P239 S243 L244 F245	Q200-S241 PolarHBondContact OE1-OG 3.39Å; H235-S241 PolarHBondContact ND1-OG 3.22Å; H235-S241 WeakPolarHBondContact O-CB 3.49Å; S238-S241 PolarHBondContact O-N 2.8Å; P239-S241 PolarHBondContact O-N 3.33Å; S241-S243 VanDerWaalsContact C-N 3.28Å; S241-S243 PolarHBondContact O-N 3.37Å; S241-S243 VanDerWaalsContact O-N 3.09Å; S241-L244 WeakPolarHBondContact O-CB 3.48Å; S241-L244 PolarHBondContact O-N 3.02Å; S241-F245 WeakPolarHBondContact O-CD1 3.26Å; S241-F245 WeakPolarHBondContact O-CE1 3.13Å
242	H	98	Very high	98.8	Very high	61 Å²	61	17.7 Å²	17.7	28%	0.282	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-39.1	-171.5	-77.2	-178.2	0	0	0	115	L236 S238 P239 K341	L236-H242 PolarHBondContact O-NE2 3.35Å; S238-H242 PolarHBondContact O-CD2 3.43Å; S238-H242 PolarHBondContact O-N 3.4Å; P239-H242 PolarHBondContact O-N 2.91Å; H242-K341 PolarHBondContact O-NZ 2.95Å
243	S	98.6	Very high	98.8	Very high	98 Å²	98	17.8 Å²	17.8	69%	0.685	11%	0.112	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-2.6	-178.5	65.1	0	0	0	0	114	S241	S241-S243 VanDerWaalsContact C-N 3.28Å; S241-S243 PolarHBondContact O-N 3.37Å; S241-S243 VanDerWaalsContact O-N 3.09Å
244	L	98.9	Very high	98.8	Very high	13 Å²	13	17.8 Å²	17.8	7%	0.068	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-11.7	-171.6	-53.9	-178	0	0	0	113.5	Q200 L203 Q204 Q207 S241	Q200-L244 HydrophobicContact CG-CD1 3.68Å; L203-L244 HydrophobicContact CB-CB 3.89Å; L203-L244 HydrophobicContact CB-CD1 3.92Å; L203-L244 HydrophobicContact CD1-CB 4.36Å; Q204-L244 HydrophobicContact CG-CD1 3.72Å; Q204-L244 HydrophobicContact CG-CD2 3.84Å; Q204-L244 HydrophobicContact CG-CG 4.47Å; Q207-L244 HydrophobicContact CG-CB 4.34Å; Q207-L244 HydrophobicContact CG-CD2 3.93Å; Q207-L244 PolarHBondContact NE2-O 3.41Å; S241-L244 WeakPolarHBondContact O-CB 3.48Å; S241-L244 PolarHBondContact O-N 3.02Å
245	F	98.9	Very high	98.7	Very high	6 Å²	6	17.9 Å²	17.9	3%	0.026	11%	0.112	C	C	.	.			trans	-149.8	171.9	178.8	70.2	-79.5	0	0	0	112.2	V220 L222 H235 L236 S241 R247 A248 K341	V220-F245 HydrophobicContact CB-CB 4.36Å; V220-F245 HydrophobicContact CG1-CB 3.99Å; L222-F245 HydrophobicContact CD1-CB 4.34Å; L222-F245 HydrophobicContact CD1-CD1 3.82Å; L222-F245 HydrophobicContact CD1-CD2 3.93Å; L222-F245 HydrophobicContact CD1-CE1 4.01Å; L222-F245 HydrophobicContact CD1-CE2 4.08Å; L222-F245 HydrophobicContact CD1-CG 3.77Å; L222-F245 HydrophobicContact CD1-CZ 4.11Å; L222-F245 HydrophobicContact CD2-CB 4.01Å; L222-F245 HydrophobicContact CD2-CG 4.35Å; L222-F245 HydrophobicContact CG-CB 3.9Å; L222-F245 HydrophobicContact CG-CD1 4.3Å; L222-F245 HydrophobicContact CG-CD2 3.83Å; L222-F245 HydrophobicContact CG-CE2 4.38Å; L222-F245 HydrophobicContact CG-CG 3.76Å; H235-F245 HydrophobicContact CB-CE1 4.01Å; H235-F245 HydrophobicContact CB-CZ 4.27Å; H235-F245 WeakPolarHBondContact O-CE1 3.3Å; L236-F245 HydrophobicContact CD2-CE2 3.69Å; L236-F245 HydrophobicContact CD2-CZ 3.75Å; L236-F245 HydrophobicContact CG-CE2 4.33Å; L236-F245 HydrophobicContact CG-CZ 4.14Å; S241-F245 WeakPolarHBondContact O-CD1 3.26Å; S241-F245 WeakPolarHBondContact O-CE1 3.13Å; F245-R247 WeakPolarHBondContact CD2-O 3.46Å; F245-A248 HydrophobicContact CE2-CB 4.44Å; F245-K341 HydrophobicContact CD2-CD 4.23Å; F245-K341 HydrophobicContact CE1-CD 4.06Å; F245-K341 HydrophobicContact CE2-CD 3.63Å; F245-K341 HydrophobicContact CZ-CD 3.54Å; F245-K341 WeakPolarHBondContact O-CE 3.31Å; F245-K341 PolarHBondContact O-NZ 3.5Å
246	T	98.9	Very high	98.7	Very high	29 Å²	29	19.4 Å²	19.4	18%	0.178	12%	0.12	C	C	.	.	S	Bend	trans	-109.8	-48.2	-173.4	-47.4	0	0	0	0	111.3	K218 V220 K341 T343	K218-T246 VanDerWaalsContact C-OG1 3.28Å; K218-T246 PolarHBondContact O-OG1 2.73Å; V220-T246 PolarHBondContact N-OG1 2.92Å; V220-T246 VanDerWaalsContact N-OG1 3.11Å; V220-T246 VanDerWaalsContact O-CA 3.29Å; V220-T246 WeakPolarHBondContact O-CA 3.42Å; V220-T246 WeakPolarHBondContact O-CB 3.5Å; V220-T246 PolarHBondContact O-N 2.79Å; V220-T246 PolarHBondContact O-OG1 2.75Å; T246-K341 WeakPolarHBondContact O-CE 3.39Å; T246-T343 VanDerWaalsContact O-CB 3.31Å; T246-T343 WeakPolarHBondContact O-CB 3.33Å; T246-T343 WeakPolarHBondContact O-CG2 3.49Å; T246-T343 PolarHBondContact O-OG1 3.47Å
247	R	98.8	Very high	98.7	Very high	47 Å²	47	19.6 Å²	19.6	18%	0.177	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	168.5	-176.1	-60.6	175.7	-165.8	-19	4.6	111.6	V220 T221 L222 F245 T343 F502 G506	V220-R247 PolarHBondContact O-N 3.44Å; T221-R247 WeakPolarHBondContact CA-O 3.24Å; T221-R247 HydrophobicContact CG2-CB 4.1Å; L222-R247 PolarHBondContact N-O 2.85Å; F245-R247 WeakPolarHBondContact CD2-O 3.46Å; R247-T343 PolarHBondContact NH1-OG1 3.34Å; R247-F502 HydrophobicContact CB-CE1 3.9Å; R247-F502 HydrophobicContact CB-CZ 4.14Å; R247-F502 WeakPolarHBondContact CD-O 3.5Å; R247-G506 VanDerWaalsContact NE-CA 3.31Å
248	A	98.9	Very high	98.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	145.9	177.6	0	0	0	0	0	112.1	L222 L236 F245 L250 I345 L346 F502	L222-A248 CarbonylContact O-C 3.51Å; L222-A248 WeakPolarHBondContact O-CA 3.19Å; L236-A248 HydrophobicContact CD1-CB 4.02Å; L236-A248 HydrophobicContact CD2-CB 4.31Å; L236-A248 HydrophobicContact CG-CB 4.26Å; F245-A248 HydrophobicContact CE2-CB 4.44Å; A248-L250 HydrophobicContact CB-CD1 3.86Å; A248-I345 HydrophobicContact CB-CG2 4.5Å; A248-I345 WeakPolarHBondContact O-CA 3.27Å; A248-L346 PolarHBondContact O-N 3.23Å; A248-L346 VanDerWaalsContact O-N 3.14Å; A248-F502 WeakPolarHBondContact O-CE1 3.33Å
249	I	99	Very high	98.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	121.2	172.1	-54.5	178.2	0	0	0	108.5	T221 L222 F223 G224 Q251 L346 W499 F502	T221-I249 HydrophobicContact CG2-CD1 4.04Å; T221-I249 HydrophobicContact CG2-CG1 3.87Å; L222-I249 PolarHBondContact O-N 2.91Å; F223-I249 WeakPolarHBondContact CA-O 3.42Å; F223-I249 HydrophobicContact CB-CB 3.64Å; F223-I249 HydrophobicContact CB-CD1 4.13Å; F223-I249 HydrophobicContact CB-CG1 4.21Å; F223-I249 HydrophobicContact CB-CG2 4.32Å; G224-I249 PolarHBondContact N-O 3.03Å; I249-Q251 HydrophobicContact CG2-CG 4.2Å; I249-L346 CarbonylContact C-O 3.53Å; I249-L346 WeakPolarHBondContact CA-O 3.18Å; I249-L346 HydrophobicContact CB-CB 4.47Å; I249-L346 HydrophobicContact CG1-CB 4.12Å; I249-L346 HydrophobicContact CG2-CB 4.21Å; I249-L346 HydrophobicContact CG2-CD2 3.79Å; I249-W499 HydrophobicContact CD1-CB 4.39Å; I249-W499 HydrophobicContact CD1-CG 4.04Å; I249-F502 HydrophobicContact CD1-CD1 3.76Å; I249-F502 HydrophobicContact CD1-CE1 4.28Å; I249-F502 HydrophobicContact CG1-CD1 3.58Å; I249-F502 HydrophobicContact CG1-CE1 3.58Å
250	L	98.9	Very high	98.5	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	106.6	-173	-64.8	80.6	0	0	0	109.4	A229 D232 A248 L346 V347 G348 F433	A229-L250 HydrophobicContact CB-CB 4.09Å; D232-L250 HydrophobicContact CB-CG 4.45Å; A248-L250 HydrophobicContact CB-CD1 3.86Å; L250-L346 PolarHBondContact N-O 3.15Å; L250-V347 HydrophobicContact CB-CG1 4.22Å; L250-V347 HydrophobicContact CB-CG2 4.23Å; L250-V347 HydrophobicContact CD1-CG2 4.24Å; L250-V347 CarbonylContact O-C 3.54Å; L250-V347 VanDerWaalsContact O-CA 3.29Å; L250-V347 WeakPolarHBondContact O-CA 3.25Å; L250-G348 PolarHBondContact O-N 2.93Å; L250-G348 VanDerWaalsContact O-N 3.08Å; L250-F433 HydrophobicContact CD1-CE1 4.4Å; L250-F433 HydrophobicContact CD2-CD1 4.08Å; L250-F433 HydrophobicContact CD2-CE1 3.55Å; L250-F433 HydrophobicContact CD2-CZ 3.93Å
251	Q	98.9	Very high	98.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	118.2	179.8	-52.2	178.7	-167.5	0	0	109.2	G224 E225 S226 A229 I249 G253 Y447 E469	G224-Q251 WeakPolarHBondContact O-CB 3.28Å; G224-Q251 PolarHBondContact O-N 3.21Å; E225-Q251 CarbonylContact C-O 3.57Å; E225-Q251 WeakPolarHBondContact CA-O 3.38Å; E225-Q251 HydrophobicContact CB-CB 3.99Å; E225-Q251 HydrophobicContact CG-CB 3.99Å; S226-Q251 PolarHBondContact N-O 2.91Å; A229-Q251 VanDerWaalsContact CB-O 3.23Å; A229-Q251 WeakPolarHBondContact CB-O 3.24Å; I249-Q251 HydrophobicContact CG2-CG 4.2Å; Q251-G253 VanDerWaalsContact C-N 3.25Å; Q251-G253 PolarHBondContact O-N 2.76Å; Q251-G253 VanDerWaalsContact O-N 3.09Å; Q251-Y447 WeakPolarHBondContact CA-OH 3.5Å; Q251-Y447 VanDerWaalsContact CB-OH 3.27Å; Q251-Y447 WeakPolarHBondContact CB-OH 3.31Å; Q251-Y447 VanDerWaalsContact CG-OH 3.31Å; Q251-Y447 WeakPolarHBondContact CG-OH 3.25Å; Q251-E469 WeakPolarHBondContact CB-OE1 3.47Å; Q251-E469 PolarHBondContact NE2-OE1 3.21Å
252	S	98.8	Very high	98.4	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	54.3	37.8	171.7	-58.5	0	0	0	0	114.3	S226 G348 E353 F426	S226-S252 WeakPolarHBondContact CA-O 3.06Å; S252-G348 PolarHBondContact N-O 3.48Å; S252-E353 WeakPolarHBondContact CB-OE1 3.2Å; S252-E353 PolarHBondContact OG-OE1 3.32Å; S252-F426 WeakPolarHBondContact O-CD1 3.26Å
253	G	98.8	Very high	98.2	Very high	1 Å²	1	19 Å²	19	1%	0.01	11%	0.114	C	C	.	.			trans	-178.8	152.4	177.3	0	0	0	0	0	114.6	A229 Q251	A229-G253 VanDerWaalsContact CB-O 3.32Å; A229-G253 WeakPolarHBondContact CB-O 3.39Å; Q251-G253 VanDerWaalsContact C-N 3.25Å; Q251-G253 PolarHBondContact O-N 2.76Å; Q251-G253 VanDerWaalsContact O-N 3.09Å
254	S	98.8	Very high	97.9	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.094	C	C	.	.			trans	-159.9	157.9	175	53.6	0	0	0	0	109.1	N256 A257	S254-N256 VanDerWaalsContact CB-OD1 3.23Å; S254-N256 WeakPolarHBondContact CB-OD1 3.46Å; S254-N256 PolarHBondContact O-N 3.42Å; S254-N256 VanDerWaalsContact O-N 3.16Å; S254-N256 PolarHBondContact OG-OD1 3.19Å; S254-A257 VanDerWaalsContact O-CB 3.24Å; S254-A257 WeakPolarHBondContact O-CB 3.28Å; S254-A257 PolarHBondContact O-N 2.92Å
255	F	98.6	Very high	97.5	Very high	3 Å²	3	21 Å²	21	1%	0.013	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-24.5	-174.9	70.4	-106.5	0	0	0	113.7	S233 L234 L237 A257 A260 V261 P331 L335 F433	S233-F255 VanDerWaalsContact OG-CB 3.3Å; S233-F255 WeakPolarHBondContact OG-CB 3.34Å; S233-F255 WeakPolarHBondContact OG-CD1 3.37Å; S233-F255 PolarHBondContact OG-N 3.41Å; L234-F255 HydrophobicContact CD2-CB 3.53Å; L234-F255 HydrophobicContact CD2-CG 4.2Å; L234-F255 HydrophobicContact CG-CB 3.84Å; L237-F255 HydrophobicContact CD1-CD1 3.74Å; L237-F255 HydrophobicContact CD1-CE1 3.59Å; L237-F255 HydrophobicContact CD1-CE2 4.43Å; L237-F255 HydrophobicContact CD1-CG 4.23Å; L237-F255 HydrophobicContact CD1-CZ 3.98Å; L237-F255 HydrophobicContact CD2-CE1 4.1Å; L237-F255 HydrophobicContact CG-CD1 4.29Å; L237-F255 HydrophobicContact CG-CE1 4.06Å; F255-A257 PolarHBondContact O-N 2.98Å; F255-A260 WeakPolarHBondContact O-CB 3.41Å; F255-V261 HydrophobicContact CB-CG2 4.43Å; F255-P331 HydrophobicContact CD2-CB 3.39Å; F255-P331 HydrophobicContact CD2-CG 3.58Å; F255-P331 VanDerWaalsContact CE2-C 3.5Å; F255-P331 HydrophobicContact CE2-CB 3.54Å; F255-P331 HydrophobicContact CE2-CG 3.96Å; F255-P331 HydrophobicContact CG-CB 3.98Å; F255-P331 HydrophobicContact CG-CG 4.41Å; F255-P331 HydrophobicContact CZ-CB 4.17Å; F255-P331 WeakPolarHBondContact CZ-O 3.44Å; F255-L335 HydrophobicContact CE1-CB 4.46Å; F255-L335 HydrophobicContact CE1-CD2 4.25Å; F255-L335 HydrophobicContact CZ-CB 3.73Å; F255-L335 HydrophobicContact CZ-CD2 3.61Å; F255-L335 HydrophobicContact CZ-CG 4.24Å; F255-F433 HydrophobicContact CD1-CD2 4.28Å; F255-F433 HydrophobicContact CD1-CE2 4.17Å; F255-F433 AromaticContact CE1-CD2 3.73Å; F255-F433 HydrophobicContact CE1-CD2 3.73Å; F255-F433 AromaticContact CE1-CE2 3.67Å; F255-F433 HydrophobicContact CE1-CE2 3.67Å; F255-F433 HydrophobicContact CZ-CD2 4.3Å
256	N	98.4	Very high	97.3	Very high	32 Å²	32	23 Å²	23	17%	0.171	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	5.5	-179.5	67.3	-45.7	0	0	0	111.9	S254 D332 P429	S254-N256 VanDerWaalsContact CB-OD1 3.23Å; S254-N256 WeakPolarHBondContact CB-OD1 3.46Å; S254-N256 PolarHBondContact O-N 3.42Å; S254-N256 VanDerWaalsContact O-N 3.16Å; S254-N256 PolarHBondContact OG-OD1 3.19Å; N256-D332 WeakPolarHBondContact CB-OD1 3.28Å; N256-P429 PolarHBondContact ND2-O 3.18Å; N256-P429 PolarHBondContact OD1-O 3.47Å
257	A	98.6	Very high	97.2	Very high	5 Å²	5	22.1 Å²	22.1	4%	0.041	12%	0.115	C	C	.	.	S	Bend	trans	-66.6	141.8	166.9	0	0	0	0	0	109.9	S254 F255 W259 A260 N425 P429	S254-A257 VanDerWaalsContact O-CB 3.24Å; S254-A257 WeakPolarHBondContact O-CB 3.28Å; S254-A257 PolarHBondContact O-N 2.92Å; F255-A257 PolarHBondContact O-N 2.98Å; A257-W259 HydrophobicContact CB-CD2 4.11Å; A257-W259 VanDerWaalsContact CB-CE2 3.49Å; A257-W259 HydrophobicContact CB-CG 4.43Å; A257-W259 HydrophobicContact CB-CH2 4.48Å; A257-W259 HydrophobicContact CB-CZ2 3.72Å; A257-W259 PolarHBondContact O-N 2.79Å; A257-A260 HydrophobicContact CB-CB 4.23Å; A257-A260 WeakPolarHBondContact O-CB 3.34Å; A257-A260 PolarHBondContact O-N 2.94Å; A257-N425 WeakPolarHBondContact CB-O 3.42Å; A257-P429 HydrophobicContact CB-CB 4.1Å; A257-P429 HydrophobicContact CB-CG 4.33Å
258	P	96.7	Very high	97.2	Very high	61 Å²	61	24.7 Å²	24.7	40%	0.396	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-25	-174.2	-25.9	33.8	0	0	0	115	Y424	P258-Y424 HydrophobicContact CB-CE1 3.84Å; P258-Y424 HydrophobicContact CG-CD1 4.06Å; P258-Y424 HydrophobicContact CG-CD2 4.32Å; P258-Y424 HydrophobicContact CG-CE1 3.55Å; P258-Y424 HydrophobicContact CG-CE2 3.84Å; P258-Y424 HydrophobicContact CG-CG 4.43Å; P258-Y424 VanDerWaalsContact CG-CZ 3.43Å
259	W	97.6	Very high	97.1	Very high	19 Å²	19	27.4 Å²	27.4	7%	0.072	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-10.6	-178.8	51.6	-100.3	0	0	0	113.9	F146 A227 A230 A257 V316 N425 F426	F146-W259 HydrophobicContact CE2-CE3 4.34Å; F146-W259 AromaticContact CE2-CZ3 3.94Å; F146-W259 HydrophobicContact CE2-CZ3 3.94Å; A227-W259 HydrophobicContact CB-CZ3 4.21Å; A230-W259 HydrophobicContact CB-CH2 3.86Å; A230-W259 HydrophobicContact CB-CZ3 3.94Å; A257-W259 HydrophobicContact CB-CD2 4.11Å; A257-W259 VanDerWaalsContact CB-CE2 3.49Å; A257-W259 HydrophobicContact CB-CG 4.43Å; A257-W259 HydrophobicContact CB-CH2 4.48Å; A257-W259 HydrophobicContact CB-CZ2 3.72Å; A257-W259 PolarHBondContact O-N 2.79Å; W259-V316 HydrophobicContact CB-CG2 4.09Å; W259-V316 HydrophobicContact CE3-CG2 4.32Å; W259-V316 WeakPolarHBondContact O-CB 3.35Å; W259-V316 VanDerWaalsContact O-CG2 3.25Å; W259-V316 WeakPolarHBondContact O-CG2 3.39Å; W259-N425 PolarHBondContact NE1-O 2.95Å; W259-F426 AromaticContact CE2-CE1 3.87Å; W259-F426 HydrophobicContact CZ2-CD1 4.09Å; W259-F426 AromaticContact CZ2-CE1 3.69Å; W259-F426 HydrophobicContact CZ2-CE1 3.69Å; W259-F426 AromaticContact NE1-CE1 3.69Å
260	A	98	Very high	97.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-26.7	-162.4	0	0	0	0	0	115.2	A230 F255 A257 P320	A230-A260 HydrophobicContact CB-CB 4.09Å; F255-A260 WeakPolarHBondContact O-CB 3.41Å; A257-A260 HydrophobicContact CB-CB 4.23Å; A257-A260 WeakPolarHBondContact O-CB 3.34Å; A257-A260 PolarHBondContact O-N 2.94Å; A260-P320 WeakPolarHBondContact O-CD 3.32Å; A260-P320 WeakPolarHBondContact O-CG 3.33Å
261	V	98.2	Very high	97	Very high	31 Å²	31	29.1 Å²	29.1	19%	0.188	15%	0.145	C	C	.	.			trans	-135.7	129.7	-178	-178.3	0	0	0	0	110.5	L234 F255 P320 P331	L234-V261 HydrophobicContact CD2-CG2 4.38Å; F255-V261 HydrophobicContact CB-CG2 4.43Å; V261-P320 WeakPolarHBondContact CA-O 3.48Å; V261-P320 HydrophobicContact CG2-CB 4.35Å; V261-P331 HydrophobicContact CG1-CG 4.5Å; V261-P331 HydrophobicContact CG2-CG 4.17Å
262	T	96.3	Very high	97	Very high	13 Å²	13	31.8 Å²	31.8	8%	0.08	16%	0.159	C	C	.	.			trans	-101.2	137	178.6	-57.1	0	0	0	0	110.7	E266 A267 R270 P320 T321	T262-E266 HydrophobicContact CG2-CB 3.69Å; T262-A267 HydrophobicContact CG2-CB 4.1Å; T262-R270 PolarHBondContact OG1-NH1 3.16Å; T262-P320 PolarHBondContact N-O 3.4Å; T262-T321 WeakPolarHBondContact O-CB 3.24Å; T262-T321 PolarHBondContact O-OG1 2.76Å
263	S	94.1	Very high	97	Very high	42 Å²	42	34.1 Å²	34.1	29%	0.294	17%	0.172	S	C	.	.			trans	-62.4	152.5	175	79	0	0	0	0	111.5	Y265 E266 A267	S263-Y265 PolarHBondContact O-N 3.45Å; S263-E266 PolarHBondContact O-N 3.32Å; S263-E266 PolarHBondContact OG-N 3.33Å; S263-A267 WeakPolarHBondContact O-CB 3.41Å; S263-A267 PolarHBondContact O-N 2.95Å
264	L	92.3	Very high	97	Very high	48 Å²	48	34.1 Å²	34.1	25%	0.251	17%	0.171	S	C	.	.	H	α-helix	trans	-61.7	-33.1	-179.1	-66.5	171.8	0	0	0	112.8	P185 R268 T321 V322	P185-L264 HydrophobicContact CB-CD2 3.81Å; P185-L264 HydrophobicContact CG-CB 4.08Å; P185-L264 HydrophobicContact CG-CD2 3.37Å; P185-L264 HydrophobicContact CG-CG 4.24Å; L264-R268 WeakPolarHBondContact O-CB 3.37Å; L264-R268 PolarHBondContact O-N 2.89Å; L264-R268 VanDerWaalsContact O-N 3.1Å; L264-T321 HydrophobicContact CD2-CG2 4Å; L264-T321 WeakPolarHBondContact CD2-OG1 3.46Å; L264-V322 WeakPolarHBondContact CD1-O 3.34Å; L264-V322 WeakPolarHBondContact CD2-O 3.31Å
265	Y	90.9	Very high	97	Very high	103 Å²	103	34.1 Å²	34.1	40%	0.404	17%	0.172	S	C	.	.	H	α-helix	trans	-62.5	-54.4	176	172.4	-101.8	0	0	0	111.1	S263 A267 R268 N269 W569	S263-Y265 PolarHBondContact O-N 3.45Å; Y265-A267 PolarHBondContact O-N 2.92Å; Y265-R268 PolarHBondContact O-N 3.42Å; Y265-N269 WeakPolarHBondContact O-CB 3.44Å; Y265-N269 PolarHBondContact O-N 3.04Å; Y265-W569 HydrophobicContact CD2-CD2 4.32Å; Y265-W569 HydrophobicContact CD2-CH2 4.37Å; Y265-W569 HydrophobicContact CD2-CZ2 4.04Å; Y265-W569 HydrophobicContact CG-CH2 4.45Å; Y265-W569 HydrophobicContact CG-CZ3 4.42Å
266	E	94.6	Very high	97	Very high	50 Å²	50	41.1 Å²	41.1	23%	0.234	20%	0.202	C	C	.	.	H	α-helix	trans	-63.8	-43	179.8	-89.2	-62.3	140.2	0	0	111.9	T262 S263 R268 N269 R270	T262-E266 HydrophobicContact CG2-CB 3.69Å; S263-E266 PolarHBondContact O-N 3.32Å; S263-E266 PolarHBondContact OG-N 3.33Å; E266-R268 VanDerWaalsContact C-N 3.33Å; E266-R268 PolarHBondContact O-N 3.18Å; E266-N269 PolarHBondContact O-N 3.35Å; E266-N269 VanDerWaalsContact O-N 3.14Å; E266-R270 WeakPolarHBondContact O-CB 3.4Å; E266-R270 VanDerWaalsContact O-CG 3.24Å; E266-R270 WeakPolarHBondContact O-CG 3.48Å; E266-R270 PolarHBondContact O-N 2.78Å; E266-R270 IonicContact OE2-CZ 2.85Å; E266-R270 IonicContact OE2-NE 2.72Å; E266-R270 PolarHBondContact OE2-NE 3.06Å; E266-R270 VanDerWaalsContact OE2-NE 3.15Å; E266-R270 IonicContact OE2-NH2 3.21Å
267	A	97	Very high	97	Very high	9 Å²	9	43.1 Å²	43.1	7%	0.074	21%	0.213	C	C	.	.	H	α-helix	trans	-60.6	-41.6	178.8	0	0	0	0	0	112.3	A183 T262 S263 Y265 T271	A183-A267 HydrophobicContact CB-CB 4.11Å; T262-A267 HydrophobicContact CG2-CB 4.1Å; S263-A267 WeakPolarHBondContact O-CB 3.41Å; S263-A267 PolarHBondContact O-N 2.95Å; Y265-A267 PolarHBondContact O-N 2.92Å; A267-T271 WeakPolarHBondContact O-CB 3.44Å; A267-T271 PolarHBondContact O-N 2.86Å; A267-T271 VanDerWaalsContact O-N 3.11Å; A267-T271 PolarHBondContact O-OG1 2.9Å
268	R	97.2	Very high	97	Very high	102 Å²	102	43.1 Å²	43.1	39%	0.385	21%	0.212	S	C	.	.	H	α-helix	trans	-63.6	-47.1	173	-178.9	-177.2	178	101.9	8.1	110.8	L184 L264 Y265 E266 R270 T271 L272 E285	L184-R268 HydrophobicContact CD2-CG 4.15Å; L264-R268 WeakPolarHBondContact O-CB 3.37Å; L264-R268 PolarHBondContact O-N 2.89Å; L264-R268 VanDerWaalsContact O-N 3.1Å; Y265-R268 PolarHBondContact O-N 3.42Å; E266-R268 VanDerWaalsContact C-N 3.33Å; E266-R268 PolarHBondContact O-N 3.18Å; R268-R270 PolarHBondContact O-N 2.86Å; R268-T271 WeakPolarHBondContact O-CB 3.33Å; R268-T271 PolarHBondContact O-N 3.42Å; R268-L272 HydrophobicContact CG-CD1 4.24Å; R268-L272 WeakPolarHBondContact O-CG 3.38Å; R268-L272 PolarHBondContact O-N 3.38Å; R268-E285 IonicContact CZ-OE1 3.38Å; R268-E285 IonicContact NH1-OE1 2.96Å; R268-E285 PolarHBondContact NH1-OE1 2.83Å; R268-E285 IonicContact NH2-OE1 3.27Å; R268-E285 PolarHBondContact NH2-OE1 3.33Å
269	N	97.1	Very high	97	Very high	57 Å²	57	42.5 Å²	42.5	31%	0.305	22%	0.217	S	C	.	.	H	α-helix	trans	-59.5	-47.1	-178.9	-166.9	35.6	0	0	0	111.9	Y265 E266 T271 L272 N273	Y265-N269 WeakPolarHBondContact O-CB 3.44Å; Y265-N269 PolarHBondContact O-N 3.04Å; E266-N269 PolarHBondContact O-N 3.35Å; E266-N269 VanDerWaalsContact O-N 3.14Å; N269-T271 VanDerWaalsContact C-N 3.32Å; N269-T271 PolarHBondContact O-N 3.22Å; N269-L272 PolarHBondContact O-N 3.15Å; N269-N273 PolarHBondContact O-N 2.8Å; N269-N273 PolarHBondContact O-ND2 3.1Å
270	R	98.3	Very high	97.1	Very high	35 Å²	35	41.6 Å²	41.6	13%	0.132	21%	0.213	C	C	.	.	H	α-helix	trans	-61.8	-39.2	176.9	-66.1	172.6	-162	-175.3	-1.2	112.3	T262 E266 R268 N273 L274 V307 V308 V316 N317 F318	T262-R270 PolarHBondContact OG1-NH1 3.16Å; E266-R270 WeakPolarHBondContact O-CB 3.4Å; E266-R270 VanDerWaalsContact O-CG 3.24Å; E266-R270 WeakPolarHBondContact O-CG 3.48Å; E266-R270 PolarHBondContact O-N 2.78Å; E266-R270 IonicContact OE2-CZ 2.85Å; E266-R270 IonicContact OE2-NE 2.72Å; E266-R270 PolarHBondContact OE2-NE 3.06Å; E266-R270 VanDerWaalsContact OE2-NE 3.15Å; E266-R270 IonicContact OE2-NH2 3.21Å; R268-R270 PolarHBondContact O-N 2.86Å; R270-N273 PolarHBondContact O-N 3.5Å; R270-L274 WeakPolarHBondContact O-CB 3.12Å; R270-L274 PolarHBondContact O-N 3.43Å; R270-V307 HydrophobicContact CB-CB 4.06Å; R270-V307 HydrophobicContact CB-CG2 3.87Å; R270-V307 HydrophobicContact CG-CB 4.41Å; R270-V307 HydrophobicContact CG-CG2 3.98Å; R270-V308 HydrophobicContact CG-CG1 4.15Å; R270-V316 PolarHBondContact NH1-O 3.47Å; R270-N317 WeakPolarHBondContact CD-O 3.45Å; R270-N317 PolarHBondContact NH1-O 3.03Å; R270-F318 HydrophobicContact CB-CE1 4.24Å; R270-F318 HydrophobicContact CB-CZ 4.37Å
271	T	98.6	Very high	97.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63	-43.1	174.8	-61.3	0	0	0	0	111.9	L182 A183 L184 A267 R268 N269 L274 A275	L182-T271 HydrophobicContact CD1-CG2 3.97Å; L182-T271 HydrophobicContact CD2-CG2 3.59Å; L182-T271 HydrophobicContact CG-CG2 3.62Å; A183-T271 PolarHBondContact N-OG1 3.3Å; A183-T271 PolarHBondContact O-OG1 2.62Å; A183-T271 VanDerWaalsContact O-OG1 3.12Å; L184-T271 HydrophobicContact CD1-CG2 4.1Å; L184-T271 HydrophobicContact CD2-CG2 4.04Å; L184-T271 HydrophobicContact CG-CG2 3.82Å; A267-T271 WeakPolarHBondContact O-CB 3.44Å; A267-T271 PolarHBondContact O-N 2.86Å; A267-T271 VanDerWaalsContact O-N 3.11Å; A267-T271 PolarHBondContact O-OG1 2.9Å; R268-T271 WeakPolarHBondContact O-CB 3.33Å; R268-T271 PolarHBondContact O-N 3.42Å; N269-T271 VanDerWaalsContact C-N 3.32Å; N269-T271 PolarHBondContact O-N 3.22Å; T271-L274 PolarHBondContact O-N 2.84Å; T271-A275 PolarHBondContact O-N 3.37Å
272	L	98.3	Very high	97	Very high	57 Å²	57	48.7 Å²	48.7	30%	0.298	25%	0.246	S	C	.	.	H	α-helix	trans	-67.8	-36.5	176.4	-64.1	176.2	0	0	0	112	L184 R268 N269 A275 K276 I288	L184-L272 HydrophobicContact CD2-CD2 4.49Å; R268-L272 HydrophobicContact CG-CD1 4.24Å; R268-L272 WeakPolarHBondContact O-CG 3.38Å; R268-L272 PolarHBondContact O-N 3.38Å; N269-L272 PolarHBondContact O-N 3.15Å; L272-A275 WeakPolarHBondContact O-CB 3.47Å; L272-A275 PolarHBondContact O-N 3.19Å; L272-K276 PolarHBondContact O-N 2.86Å; L272-I288 HydrophobicContact CD2-CD1 3.72Å
273	N	98.5	Very high	96.8	Very high	49 Å²	49	57.9 Å²	57.9	26%	0.262	29%	0.288	S	S	.	.	H	α-helix	trans	-64.9	-44.2	173.9	-71.8	-21.4	0	0	0	111.5	N269 R270 A275 K276 L277 V307	N269-N273 PolarHBondContact O-N 2.8Å; N269-N273 PolarHBondContact O-ND2 3.1Å; R270-N273 PolarHBondContact O-N 3.5Å; N273-A275 VanDerWaalsContact C-N 3.29Å; N273-A275 PolarHBondContact O-N 2.89Å; N273-K276 WeakPolarHBondContact O-CA 3.4Å; N273-K276 WeakPolarHBondContact O-CB 3.32Å; N273-K276 PolarHBondContact O-N 3.08Å; N273-L277 VanDerWaalsContact O-CG 3.3Å; N273-L277 WeakPolarHBondContact O-CG 2.98Å; N273-L277 PolarHBondContact O-N 2.83Å; N273-V307 HydrophobicContact CB-CB 4.3Å; N273-V307 PolarHBondContact ND2-O 3.24Å
274	L	98.8	Very high	96.9	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-59.3	-42.9	173.5	-175.1	65.7	0	0	0	111.5	A178 L182 R270 T271 K276 L277 T278 I300 N303 V307 F318	A178-L274 HydrophobicContact CB-CD2 3.81Å; L182-L274 HydrophobicContact CD1-CD2 3.92Å; R270-L274 WeakPolarHBondContact O-CB 3.12Å; R270-L274 PolarHBondContact O-N 3.43Å; T271-L274 PolarHBondContact O-N 2.84Å; L274-K276 VanDerWaalsContact C-N 3.29Å; L274-K276 PolarHBondContact O-N 2.04Å; L274-L277 PolarHBondContact O-N 3Å; L274-T278 HydrophobicContact CD1-CG2 4.39Å; L274-T278 WeakPolarHBondContact O-CB 3.3Å; L274-T278 WeakPolarHBondContact O-CG2 3.39Å; L274-T278 PolarHBondContact O-N 2.95Å; L274-T278 PolarHBondContact O-OG1 3.17Å; L274-I300 HydrophobicContact CD2-CG2 4.21Å; L274-N303 HydrophobicContact CD1-CB 3.77Å; L274-V307 HydrophobicContact CB-CG1 3.78Å; L274-V307 HydrophobicContact CD1-CG1 4.1Å; L274-F318 HydrophobicContact CB-CZ 4.11Å; L274-F318 HydrophobicContact CD2-CE2 4.13Å; L274-F318 HydrophobicContact CD2-CZ 3.76Å; L274-F318 HydrophobicContact CG-CZ 4.47Å
275	A	98.7	Very high	97	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.008	29%	0.293	C	S	.	.	H	α-helix	trans	-60.1	-39.6	174.3	0	0	0	0	0	111.7	T271 L272 N273 T278 G279 C280 S281 I288 L292	T271-A275 PolarHBondContact O-N 3.37Å; L272-A275 WeakPolarHBondContact O-CB 3.47Å; L272-A275 PolarHBondContact O-N 3.19Å; N273-A275 VanDerWaalsContact C-N 3.29Å; N273-A275 PolarHBondContact O-N 2.89Å; A275-T278 PolarHBondContact O-OG1 3.35Å; A275-G279 PolarHBondContact O-N 2.99Å; A275-C280 HydrophobicContact CB-CB 4.24Å; A275-C280 CarbonylContact O-C 3.52Å; A275-C280 VanDerWaalsContact O-CA 3.31Å; A275-C280 WeakPolarHBondContact O-CA 3.49Å; A275-C280 PolarHBondContact O-N 3.12Å; A275-S281 PolarHBondContact O-N 3.31Å; A275-I288 HydrophobicContact CB-CG2 3.44Å; A275-I288 VanDerWaalsContact CB-CG2 3.44Å; A275-L292 HydrophobicContact CB-CD1 4.47Å
276	K	98.4	Very high	97.2	Very high	149 Å²	149	57.7 Å²	57.7	65%	0.648	29%	0.293	S	S	*	.	H	α-helix	trans	-63.6	-49.1	175.2	-175.5	-177.8	178.3	-177.8	0	112.1	L272 N273 L274 T278 G279 S281	L272-K276 PolarHBondContact O-N 2.86Å; N273-K276 WeakPolarHBondContact O-CA 3.4Å; N273-K276 WeakPolarHBondContact O-CB 3.32Å; N273-K276 PolarHBondContact O-N 3.08Å; L274-K276 VanDerWaalsContact C-N 3.29Å; L274-K276 PolarHBondContact O-N 2.04Å; K276-T278 PolarHBondContact O-N 3.32Å; K276-G279 PolarHBondContact O-N 2.95Å; K276-G279 VanDerWaalsContact O-N 3.13Å; K276-S281 WeakPolarHBondContact CA-OG 3.2Å; K276-S281 PolarHBondContact N-OG 2.96Å
277	L	98.4	Very high	97.3	Very high	75 Å²	75	60.3 Å²	60.3	39%	0.393	31%	0.305	S	S	.	.	H	α-helix	trans	-62.7	-30.7	-178.1	-68.2	165.4	0	0	0	112.8	N273 L274 N303 F306 V307	N273-L277 VanDerWaalsContact O-CG 3.3Å; N273-L277 WeakPolarHBondContact O-CG 2.98Å; N273-L277 PolarHBondContact O-N 2.83Å; L274-L277 PolarHBondContact O-N 3Å; L277-N303 HydrophobicContact CB-CB 4.07Å; L277-N303 HydrophobicContact CD1-CB 4.35Å; L277-F306 HydrophobicContact CD1-CB 3.77Å; L277-F306 HydrophobicContact CD2-CB 4.5Å; L277-V307 HydrophobicContact CD1-CG1 4.37Å
278	T	98.2	Very high	97.4	Very high	4 Å²	4	60.1 Å²	60.1	3%	0.025	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	4.1	178.7	56.5	0	0	0	0	113.7	L274 A275 K276 C280 L292 K295 N303	L274-T278 HydrophobicContact CD1-CG2 4.39Å; L274-T278 WeakPolarHBondContact O-CB 3.3Å; L274-T278 WeakPolarHBondContact O-CG2 3.39Å; L274-T278 PolarHBondContact O-N 2.95Å; L274-T278 PolarHBondContact O-OG1 3.17Å; A275-T278 PolarHBondContact O-OG1 3.35Å; K276-T278 PolarHBondContact O-N 3.32Å; T278-C280 VanDerWaalsContact C-N 3.28Å; T278-C280 PolarHBondContact O-N 3.09Å; T278-L292 VanDerWaalsContact OG1-CD2 3.29Å; T278-L292 WeakPolarHBondContact OG1-CD2 3.17Å; T278-K295 WeakPolarHBondContact O-CE 3.49Å; T278-K295 PolarHBondContact O-NZ 3.37Å; T278-N303 HydrophobicContact CG2-CB 4.33Å
279	G	98.3	Very high	97.4	Very high	48 Å²	48	55.3 Å²	55.3	50%	0.495	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.4	20.3	-178.2	0	0	0	0	0	114.7	A275 K276 R282	A275-G279 PolarHBondContact O-N 2.99Å; K276-G279 PolarHBondContact O-N 2.95Å; K276-G279 VanDerWaalsContact O-N 3.13Å; G279-R282 PolarHBondContact O-NH1 2.88Å
280	C	98.5	Very high	97.5	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.299	C	S	.	.			trans	-101	11.4	-180	-73.8	0	0	0	0	115	A275 T278 R282 C291 L292 K295	A275-C280 HydrophobicContact CB-CB 4.24Å; A275-C280 CarbonylContact O-C 3.52Å; A275-C280 VanDerWaalsContact O-CA 3.31Å; A275-C280 WeakPolarHBondContact O-CA 3.49Å; A275-C280 PolarHBondContact O-N 3.12Å; T278-C280 VanDerWaalsContact C-N 3.28Å; T278-C280 PolarHBondContact O-N 3.09Å; C280-R282 PolarHBondContact O-N 3.2Å; C280-C291 WeakPolarHBondContact CA-SG 3.4Å; C280-C291 HydrophobicContact CB-CB 3.61Å; C280-C291 WeakPolarHBondContact CB-SG 3.11Å; C280-C291 WeakPolarHBondContact SG-CB 3.43Å; C280-C291 CovalentContact SG-SG 2.04Å; C280-C291 PolarHBondContact SG-SG 3.19Å; C280-L292 HydrophobicContact CB-CD2 4.03Å; C280-L292 HydrophobicContact CB-CG 4.05Å; C280-L292 PolarHBondContact SG-N 3.34Å; C280-K295 VanDerWaalsContact SG-CE 3.57Å
281	S	97.9	Very high	97.5	Very high	65 Å²	65	58.6 Å²	58.6	46%	0.455	30%	0.3	S	S	.	.			trans	-60.7	122	170.6	-60.9	0	0	0	0	111.2	A275 K276	A275-S281 PolarHBondContact O-N 3.31Å; K276-S281 WeakPolarHBondContact CA-OG 3.2Å; K276-S281 PolarHBondContact N-OG 2.96Å
282	R	96.4	Very high	97.5	Very high	115 Å²	115	58.6 Å²	58.6	43%	0.434	30%	0.3	S	S	.	.			trans	-139.5	164	178.1	-59.3	-65	179.7	-80.6	-3.2	108.9	G279 C280 E287 I288	G279-R282 PolarHBondContact O-NH1 2.88Å; C280-R282 PolarHBondContact O-N 3.2Å; R282-E287 HydrophobicContact CB-CB 3.94Å; R282-E287 HydrophobicContact CG-CB 4Å; R282-I288 HydrophobicContact CB-CG1 3.86Å; R282-I288 HydrophobicContact CG-CG1 4.47Å
283	E	92.4	Very high	97.5	Very high	206 Å²	206	57.4 Å²	57.4	96%	0.963	29%	0.291	S	S	*	.	S	Bend	trans	-71.2	-37.8	176.9	-63.9	-176.6	173.6	0	0	111.9
284	N	95.1	Very high	97.5	Very high	82 Å²	82	61.5 Å²	61.5	44%	0.439	31%	0.313	S	S	.	.	S	Bend	trans	-97	126.7	179.9	-174.2	-28.4	0	0	0	111.4	T286 E287 I288	N284-T286 VanDerWaalsContact C-N 3.3Å; N284-T286 PolarHBondContact O-N 2.88Å; N284-T286 PolarHBondContact OD1-N 2.98Å; N284-E287 HydrophobicContact CB-CB 4.35Å; N284-E287 HydrophobicContact CB-CG 4.01Å; N284-E287 WeakPolarHBondContact O-CA 3.48Å; N284-E287 WeakPolarHBondContact O-CB 3.29Å; N284-E287 PolarHBondContact O-N 2.94Å; N284-I288 PolarHBondContact O-N 3.27Å; N284-I288 VanDerWaalsContact O-N 3.08Å
285	E	95.1	Very high	97.5	Very high	42 Å²	42	63.7 Å²	63.7	20%	0.196	32%	0.323	C	S	.	.	H	α-helix	trans	-55.6	-39	177.9	-72.4	-178.5	-170.3	0	0	114	L184 N187 R268 E287 I288 I289	L184-E285 HydrophobicContact CD1-CB 4.17Å; L184-E285 HydrophobicContact CD1-CG 4.39Å; L184-E285 HydrophobicContact CD2-CG 4.38Å; N187-E285 WeakPolarHBondContact ND2-CB 3.42Å; N187-E285 PolarHBondContact ND2-OE2 3.13Å; R268-E285 IonicContact CZ-OE1 3.38Å; R268-E285 IonicContact NH1-OE1 2.96Å; R268-E285 PolarHBondContact NH1-OE1 2.83Å; R268-E285 IonicContact NH2-OE1 3.27Å; R268-E285 PolarHBondContact NH2-OE1 3.33Å; E285-E287 PolarHBondContact O-N 2.77Å; E285-I288 WeakPolarHBondContact O-CB 3.31Å; E285-I288 PolarHBondContact O-N 2.62Å; E285-I288 VanDerWaalsContact O-N 3.17Å; E285-I289 WeakPolarHBondContact O-CG1 3.48Å; E285-I289 PolarHBondContact O-N 3.25Å
286	T	95	Very high	97.5	Very high	66 Å²	66	68.2 Å²	68.2	41%	0.405	35%	0.347	S	S	.	.	H	α-helix	trans	-65.9	-30.2	177.9	-57.3	0	0	0	0	111.4	E189 N284 K290	E189-T286 HydrophobicContact CG-CG2 4.4Å; N284-T286 VanDerWaalsContact C-N 3.3Å; N284-T286 PolarHBondContact O-N 2.88Å; N284-T286 PolarHBondContact OD1-N 2.98Å; T286-K290 VanDerWaalsContact O-CB 3.3Å; T286-K290 WeakPolarHBondContact O-CB 3.22Å; T286-K290 PolarHBondContact O-N 3.23Å
287	E	97.7	Very high	97.5	Very high	104 Å²	104	62.2 Å²	62.2	49%	0.486	32%	0.323	S	S	.	.	H	α-helix	trans	-73.9	-36.2	173.1	-64.8	-175.1	170.8	0	0	112.3	R282 N284 E285 K290 C291	R282-E287 HydrophobicContact CB-CB 3.94Å; R282-E287 HydrophobicContact CG-CB 4Å; N284-E287 HydrophobicContact CB-CB 4.35Å; N284-E287 HydrophobicContact CB-CG 4.01Å; N284-E287 WeakPolarHBondContact O-CA 3.48Å; N284-E287 WeakPolarHBondContact O-CB 3.29Å; N284-E287 PolarHBondContact O-N 2.94Å; E285-E287 PolarHBondContact O-N 2.77Å; E287-K290 PolarHBondContact O-N 3.17Å; E287-C291 WeakPolarHBondContact O-CB 3.46Å; E287-C291 PolarHBondContact O-N 3.18Å
288	I	98.4	Very high	97.4	Very high	6 Å²	6	63 Å²	63	3%	0.031	33%	0.325	C	S	.	.	H	α-helix	trans	-56.2	-52.8	170.7	-61.9	178	0	0	0	109.3	L272 A275 R282 N284 E285 K290 C291 L292	L272-I288 HydrophobicContact CD2-CD1 3.72Å; A275-I288 HydrophobicContact CB-CG2 3.44Å; A275-I288 VanDerWaalsContact CB-CG2 3.44Å; R282-I288 HydrophobicContact CB-CG1 3.86Å; R282-I288 HydrophobicContact CG-CG1 4.47Å; N284-I288 PolarHBondContact O-N 3.27Å; N284-I288 VanDerWaalsContact O-N 3.08Å; E285-I288 WeakPolarHBondContact O-CB 3.31Å; E285-I288 PolarHBondContact O-N 2.62Å; E285-I288 VanDerWaalsContact O-N 3.17Å; I288-K290 PolarHBondContact O-N 3.27Å; I288-C291 WeakPolarHBondContact O-CB 3.29Å; I288-C291 PolarHBondContact O-N 3.08Å; I288-L292 HydrophobicContact CG2-CD1 3.9Å; I288-L292 HydrophobicContact CG2-CG 4.45Å; I288-L292 WeakPolarHBondContact O-CG 3.32Å; I288-L292 PolarHBondContact O-N 3.36Å
289	I	98.4	Very high	97.4	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-61.9	-45.1	-179.6	-60.8	163.8	0	0	0	110.4	F71 L184 E189 A190 E285 C291 L292 R293	F71-I289 HydrophobicContact CD2-CG2 4.09Å; L184-I289 HydrophobicContact CD1-CD1 3.75Å; L184-I289 HydrophobicContact CD1-CG1 3.69Å; E189-I289 HydrophobicContact CB-CD1 3.61Å; E189-I289 HydrophobicContact CB-CG2 4.11Å; A190-I289 HydrophobicContact CB-CD1 3.68Å; A190-I289 HydrophobicContact CB-CG1 3.98Å; A190-I289 HydrophobicContact CB-CG2 4.42Å; E285-I289 WeakPolarHBondContact O-CG1 3.48Å; E285-I289 PolarHBondContact O-N 3.25Å; I289-C291 VanDerWaalsContact C-N 3.29Å; I289-C291 PolarHBondContact O-N 3.45Å; I289-L292 PolarHBondContact O-N 3Å; I289-R293 HydrophobicContact CG2-CG 4.37Å; I289-R293 VanDerWaalsContact O-CG 3.32Å; I289-R293 WeakPolarHBondContact O-CG 3.49Å; I289-R293 PolarHBondContact O-N 3.43Å
290	K	98.4	Very high	97.4	Very high	140 Å²	140	63.8 Å²	63.8	61%	0.609	32%	0.315	S	S	*	.	H	α-helix	trans	-59.1	-40.1	177.3	-175.1	179.9	178.4	-176.3	0	111.9	T286 E287 I288	T286-K290 VanDerWaalsContact O-CB 3.3Å; T286-K290 WeakPolarHBondContact O-CB 3.22Å; T286-K290 PolarHBondContact O-N 3.23Å; E287-K290 PolarHBondContact O-N 3.17Å; I288-K290 PolarHBondContact O-N 3.27Å
291	C	98.7	Very high	97.4	Very high	22 Å²	22	63.9 Å²	63.9	15%	0.149	32%	0.316	C	S	.	.	H	α-helix	trans	-64.5	-49.5	174.9	-179.4	0	0	0	0	111.5	C280 E287 I288 I289 R293 N294 K295	C280-C291 WeakPolarHBondContact CA-SG 3.4Å; C280-C291 HydrophobicContact CB-CB 3.61Å; C280-C291 WeakPolarHBondContact CB-SG 3.11Å; C280-C291 WeakPolarHBondContact SG-CB 3.43Å; C280-C291 CovalentContact SG-SG 2.04Å; C280-C291 PolarHBondContact SG-SG 3.19Å; E287-C291 WeakPolarHBondContact O-CB 3.46Å; E287-C291 PolarHBondContact O-N 3.18Å; I288-C291 WeakPolarHBondContact O-CB 3.29Å; I288-C291 PolarHBondContact O-N 3.08Å; I289-C291 VanDerWaalsContact C-N 3.29Å; I289-C291 PolarHBondContact O-N 3.45Å; C291-R293 VanDerWaalsContact C-N 3.26Å; C291-R293 PolarHBondContact O-N 3.42Å; C291-N294 PolarHBondContact O-N 2.84Å; C291-K295 PolarHBondContact O-N 3.23Å
292	L	98.7	Very high	97.3	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-60.7	-33.3	178.6	-71.5	171.2	0	0	0	112.7	R70 F71 L182 A275 T278 C280 I288 I289 N294 K295	R70-L292 PolarHBondContact NH1-O 3.38Å; R70-L292 VanDerWaalsContact NH1-O 3.11Å; F71-L292 HydrophobicContact CE2-CB 3.86Å; F71-L292 HydrophobicContact CZ-CB 4.19Å; L182-L292 HydrophobicContact CD1-CD1 3.96Å; A275-L292 HydrophobicContact CB-CD1 4.47Å; T278-L292 VanDerWaalsContact OG1-CD2 3.29Å; T278-L292 WeakPolarHBondContact OG1-CD2 3.17Å; C280-L292 HydrophobicContact CB-CD2 4.03Å; C280-L292 HydrophobicContact CB-CG 4.05Å; C280-L292 PolarHBondContact SG-N 3.34Å; I288-L292 HydrophobicContact CG2-CD1 3.9Å; I288-L292 HydrophobicContact CG2-CG 4.45Å; I288-L292 WeakPolarHBondContact O-CG 3.32Å; I288-L292 PolarHBondContact O-N 3.36Å; I289-L292 PolarHBondContact O-N 3Å; L292-N294 PolarHBondContact O-N 2.87Å; L292-K295 WeakPolarHBondContact O-CB 3.22Å; L292-K295 PolarHBondContact O-N 3.18Å
293	R	98.7	Very high	97.4	Very high	31 Å²	31	61.8 Å²	61.8	12%	0.117	31%	0.307	C	S	.	.	H	α-helix	trans	-65.5	-25.9	174.7	-74.1	-176.6	-176.5	145.6	1.1	114	R70 F71 E189 I289 C291 K295	R70-R293 HydrophobicContact CB-CG 4.22Å; R70-R293 PolarHBondContact NH1-O 3.11Å; R70-R293 PolarHBondContact O-NE 3.32Å; F71-R293 HydrophobicContact CD2-CG 3.85Å; F71-R293 HydrophobicContact CE2-CG 3.88Å; E189-R293 PolarHBondContact O-NH2 3.02Å; E189-R293 IonicContact OE2-CZ 3.64Å; E189-R293 IonicContact OE2-NH1 2.79Å; E189-R293 PolarHBondContact OE2-NH1 3.2Å; E189-R293 IonicContact OE2-NH2 2.79Å; E189-R293 PolarHBondContact OE2-NH2 2.69Å; I289-R293 HydrophobicContact CG2-CG 4.37Å; I289-R293 VanDerWaalsContact O-CG 3.32Å; I289-R293 WeakPolarHBondContact O-CG 3.49Å; I289-R293 PolarHBondContact O-N 3.43Å; C291-R293 VanDerWaalsContact C-N 3.26Å; C291-R293 PolarHBondContact O-N 3.42Å; R293-K295 VanDerWaalsContact C-N 3.33Å
294	N	98.3	Very high	97.7	Very high	135 Å²	135	52.2 Å²	52.2	72%	0.722	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-6.4	177.5	-67	-21.8	0	0	0	112.7	C291 L292	C291-N294 PolarHBondContact O-N 2.84Å; L292-N294 PolarHBondContact O-N 2.87Å
295	K	98.6	Very high	97.6	Very high	47 Å²	47	51.1 Å²	51.1	20%	0.204	27%	0.265	C	S	.	.	S	Bend	trans	-73.7	149.4	176	-64.4	-56.9	-166.2	151.4	0	111.2	R70 T278 C280 C291 L292 R293 E299 I300	R70-K295 PolarHBondContact NH1-O 2.99Å; R70-K295 PolarHBondContact NH2-O 2.89Å; T278-K295 WeakPolarHBondContact O-CE 3.49Å; T278-K295 PolarHBondContact O-NZ 3.37Å; C280-K295 VanDerWaalsContact SG-CE 3.57Å; C291-K295 PolarHBondContact O-N 3.23Å; L292-K295 WeakPolarHBondContact O-CB 3.22Å; L292-K295 PolarHBondContact O-N 3.18Å; R293-K295 VanDerWaalsContact C-N 3.33Å; K295-E299 WeakPolarHBondContact CE-OE1 3.42Å; K295-E299 IonicContact NZ-OE1 3.04Å; K295-E299 PolarHBondContact NZ-OE1 3.14Å; K295-E299 IonicContact NZ-OE2 2.68Å; K295-I300 HydrophobicContact CB-CD1 4.26Å; K295-I300 HydrophobicContact CB-CG1 4.09Å
296	D	98.3	Very high	97.7	Very high	96 Å²	96	55.5 Å²	55.5	51%	0.513	28%	0.284	S	S	.	.			trans	-63.5	139.5	167.7	-174.6	-94.1	0	0	0	109.4	Q298 E299 I300	D296-Q298 PolarHBondContact O-N 3.49Å; D296-Q298 WeakPolarHBondContact OD1-CA 3.3Å; D296-Q298 WeakPolarHBondContact OD1-CB 3.22Å; D296-Q298 PolarHBondContact OD1-N 3.45Å; D296-E299 HydrophobicContact CB-CB 4.44Å; D296-E299 PolarHBondContact O-N 3.31Å; D296-E299 VanDerWaalsContact O-N 3.08Å; D296-I300 PolarHBondContact O-N 3.44Å
297	P	97.9	Very high	97.7	Very high	22 Å²	22	52.5 Å²	52.5	14%	0.143	27%	0.265	C	S	.	.	H	α-helix	trans	-53.1	-37.4	177	-26.5	35.2	0	0	0	112.7	C94 E118 E299 I300 L301	C94-P297 HydrophobicContact CB-CB 4.37Å; E118-P297 HydrophobicContact CG-CG 4Å; E118-P297 WeakPolarHBondContact OE2-CG 3.23Å; P297-E299 VanDerWaalsContact C-N 3.33Å; P297-E299 PolarHBondContact O-N 3.08Å; P297-I300 WeakPolarHBondContact O-CB 3.42Å; P297-I300 PolarHBondContact O-N 2.92Å; P297-L301 VanDerWaalsContact O-CG 3.29Å; P297-L301 WeakPolarHBondContact O-CG 3.4Å; P297-L301 PolarHBondContact O-N 3.29Å
298	Q	96.4	Very high	97.5	Very high	93 Å²	93	48.5 Å²	48.5	44%	0.435	25%	0.248	S	C	.	.	H	α-helix	trans	-65.8	-36.8	-179.9	-160.1	65.9	17.4	0	0	111.9	D296 I300 L301 L302	D296-Q298 PolarHBondContact O-N 3.49Å; D296-Q298 WeakPolarHBondContact OD1-CA 3.3Å; D296-Q298 WeakPolarHBondContact OD1-CB 3.22Å; D296-Q298 PolarHBondContact OD1-N 3.45Å; Q298-I300 VanDerWaalsContact C-N 3.29Å; Q298-I300 PolarHBondContact O-N 3.41Å; Q298-L301 PolarHBondContact O-N 3.1Å; Q298-L302 HydrophobicContact CG-CD1 4.25Å; Q298-L302 HydrophobicContact CG-CG 4.43Å; Q298-L302 WeakPolarHBondContact O-CB 3.14Å; Q298-L302 WeakPolarHBondContact O-CG 3.41Å; Q298-L302 PolarHBondContact O-N 3.41Å
299	E	98.2	Very high	96.7	Very high	68 Å²	68	53.8 Å²	53.8	32%	0.318	28%	0.282	S	S	.	.	H	α-helix	trans	-64.3	-36.4	176.5	-168.5	-176.6	150.2	0	0	111.5	K295 D296 P297 N303	K295-E299 WeakPolarHBondContact CE-OE1 3.42Å; K295-E299 IonicContact NZ-OE1 3.04Å; K295-E299 PolarHBondContact NZ-OE1 3.14Å; K295-E299 IonicContact NZ-OE2 2.68Å; D296-E299 HydrophobicContact CB-CB 4.44Å; D296-E299 PolarHBondContact O-N 3.31Å; D296-E299 VanDerWaalsContact O-N 3.08Å; P297-E299 VanDerWaalsContact C-N 3.33Å; P297-E299 PolarHBondContact O-N 3.08Å; E299-N303 PolarHBondContact O-ND2 3.15Å
300	I	98.7	Very high	95.9	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-64.8	-54.7	173.6	-67.8	170.1	0	0	0	109.6	F71 A178 L179 L274 K295 D296 P297 Q298 L302 N303 E304	F71-I300 HydrophobicContact CZ-CD1 3.98Å; A178-I300 HydrophobicContact CB-CG2 3.85Å; L179-I300 HydrophobicContact CD2-CD1 4.1Å; L274-I300 HydrophobicContact CD2-CG2 4.21Å; K295-I300 HydrophobicContact CB-CD1 4.26Å; K295-I300 HydrophobicContact CB-CG1 4.09Å; D296-I300 PolarHBondContact O-N 3.44Å; P297-I300 WeakPolarHBondContact O-CB 3.42Å; P297-I300 PolarHBondContact O-N 2.92Å; Q298-I300 VanDerWaalsContact C-N 3.29Å; Q298-I300 PolarHBondContact O-N 3.41Å; I300-L302 VanDerWaalsContact C-N 3.32Å; I300-L302 PolarHBondContact O-N 3.04Å; I300-N303 PolarHBondContact O-N 2.97Å; I300-E304 PolarHBondContact O-N 3.36Å
301	L	97.8	Very high	95.1	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.01	30%	0.303	C	S	.	.	H	α-helix	trans	-56.7	-43	-176.2	-68.1	173.8	0	0	0	112.6	C94 N96 P297 Q298 N303 E304	C94-L301 HydrophobicContact CB-CD1 4.16Å; N96-L301 PolarHBondContact ND2-O 3.21Å; N96-L301 PolarHBondContact OD1-O 3.14Å; P297-L301 VanDerWaalsContact O-CG 3.29Å; P297-L301 WeakPolarHBondContact O-CG 3.4Å; P297-L301 PolarHBondContact O-N 3.29Å; Q298-L301 PolarHBondContact O-N 3.1Å; L301-N303 PolarHBondContact O-N 2.8Å; L301-E304 PolarHBondContact O-N 3.34Å
302	L	96.9	Very high	94.7	Very high	106 Å²	106	56.3 Å²	56.3	56%	0.555	31%	0.305	S	S	*	.	H	α-helix	trans	-62	-25	178.4	-74.5	170.7	0	0	0	113.3	Q298 I300 F306	Q298-L302 HydrophobicContact CG-CD1 4.25Å; Q298-L302 HydrophobicContact CG-CG 4.43Å; Q298-L302 WeakPolarHBondContact O-CB 3.14Å; Q298-L302 WeakPolarHBondContact O-CG 3.41Å; Q298-L302 PolarHBondContact O-N 3.41Å; I300-L302 VanDerWaalsContact C-N 3.32Å; I300-L302 PolarHBondContact O-N 3.04Å; L302-F306 WeakPolarHBondContact O-CE2 3.48Å
303	N	98.2	Very high	94.4	Very high	30 Å²	30	58.4 Å²	58.4	16%	0.16	32%	0.319	C	S	.	.	H	α-helix	trans	-99.3	-8.4	-178.1	-73.8	-73.1	0	0	0	113.8	L274 L277 T278 E299 I300 L301 A305 F306	L274-N303 HydrophobicContact CD1-CB 3.77Å; L277-N303 HydrophobicContact CB-CB 4.07Å; L277-N303 HydrophobicContact CD1-CB 4.35Å; T278-N303 HydrophobicContact CG2-CB 4.33Å; E299-N303 PolarHBondContact O-ND2 3.15Å; I300-N303 PolarHBondContact O-N 2.97Å; L301-N303 PolarHBondContact O-N 2.8Å; N303-A305 VanDerWaalsContact C-N 3.3Å; N303-A305 PolarHBondContact O-N 3.07Å; N303-F306 PolarHBondContact O-N 2.81Å
304	E	97.9	Very high	94.2	Very high	4 Å²	4	57.9 Å²	57.9	2%	0.019	32%	0.318	C	S	.	.	H	α-helix	trans	-61.1	-36.3	-178.3	-71.3	-176.6	167.5	0	0	112.8	A178 I300 L301 F306 V307 N317 F318	A178-E304 HydrophobicContact CB-CG 4.28Å; A178-E304 VanDerWaalsContact CB-OE1 3.24Å; A178-E304 WeakPolarHBondContact CB-OE1 3.36Å; A178-E304 PolarHBondContact N-OE1 3.09Å; I300-E304 PolarHBondContact O-N 3.36Å; L301-E304 PolarHBondContact O-N 3.34Å; E304-F306 PolarHBondContact O-N 3.22Å; E304-V307 VanDerWaalsContact O-CG2 3.31Å; E304-V307 WeakPolarHBondContact O-CG2 3.06Å; E304-N317 PolarHBondContact O-ND2 2.89Å; E304-F318 HydrophobicContact CB-CE2 4.4Å; E304-F318 HydrophobicContact CG-CD2 4.21Å; E304-F318 HydrophobicContact CG-CE2 4.08Å
305	A	94.3	Very high	93.9	Very high	60 Å²	60	53.4 Å²	53.4	50%	0.496	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-21.8	-179.1	0	0	0	0	0	113.6	N303	N303-A305 VanDerWaalsContact C-N 3.3Å; N303-A305 PolarHBondContact O-N 3.07Å
306	F	96.4	Very high	93.9	Very high	134 Å²	134	51.8 Å²	51.8	59%	0.588	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.8	6.6	-170.9	-51.7	-66.1	0	0	0	113.9	L277 L302 N303 E304 V308	L277-F306 HydrophobicContact CD1-CB 3.77Å; L277-F306 HydrophobicContact CD2-CB 4.5Å; L302-F306 WeakPolarHBondContact O-CE2 3.48Å; N303-F306 PolarHBondContact O-N 2.81Å; E304-F306 PolarHBondContact O-N 3.22Å; F306-V308 PolarHBondContact O-N 3.17Å
307	V	96	Very high	93.8	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.012	27%	0.272	C	S	.	.	S	Bend	trans	-75.3	-14.6	179.9	-55.7	0	0	0	0	113.1	R270 N273 L274 L277 E304 N317 F318	R270-V307 HydrophobicContact CB-CB 4.06Å; R270-V307 HydrophobicContact CB-CG2 3.87Å; R270-V307 HydrophobicContact CG-CB 4.41Å; R270-V307 HydrophobicContact CG-CG2 3.98Å; N273-V307 HydrophobicContact CB-CB 4.3Å; N273-V307 PolarHBondContact ND2-O 3.24Å; L274-V307 HydrophobicContact CB-CG1 3.78Å; L274-V307 HydrophobicContact CD1-CG1 4.1Å; L277-V307 HydrophobicContact CD1-CG1 4.37Å; E304-V307 VanDerWaalsContact O-CG2 3.31Å; E304-V307 WeakPolarHBondContact O-CG2 3.06Å; V307-N317 HydrophobicContact CG2-CB 3.9Å; V307-F318 HydrophobicContact CB-CZ 4.47Å; V307-F318 HydrophobicContact CG1-CE2 3.98Å; V307-F318 HydrophobicContact CG1-CZ 3.98Å; V307-F318 HydrophobicContact CG2-CE2 4.05Å; V307-F318 HydrophobicContact CG2-CZ 4.25Å
308	V	91.8	Very high	93.9	Very high	21 Å²	21	47.4 Å²	47.4	13%	0.127	27%	0.266	C	S	.	.	S	Bend	trans	-113.2	147.1	173.9	-65.5	0	0	0	0	109.8	R270 F306 Y310	R270-V308 HydrophobicContact CG-CG1 4.15Å; F306-V308 PolarHBondContact O-N 3.17Å; V308-Y310 VanDerWaalsContact C-N 3.27Å; V308-Y310 WeakPolarHBondContact CG2-O 3.36Å; V308-Y310 PolarHBondContact O-N 2.84Å
309	P	82.3	Confident	94	Very high	116 Å²	116	43.1 Å²	43.1	75%	0.753	25%	0.247	S	C	*	.	S	Bend	trans	-68.2	-26.7	-178.1	26.7	-34.8	0	0	0	113.4
310	Y	81.4	Confident	94	Very high	135 Å²	135	39.9 Å²	39.9	53%	0.529	23%	0.232	S	C	.	.	S	Bend	trans	-147.7	138.3	176.4	38.5	-98.7	0	0	0	108.2	V308 P387	V308-Y310 VanDerWaalsContact C-N 3.27Å; V308-Y310 WeakPolarHBondContact CG2-O 3.36Å; V308-Y310 PolarHBondContact O-N 2.84Å; Y310-P387 HydrophobicContact CD2-CB 3.54Å; Y310-P387 HydrophobicContact CD2-CG 3.38Å; Y310-P387 HydrophobicContact CE2-CB 3.86Å; Y310-P387 HydrophobicContact CE2-CG 3.68Å; Y310-P387 HydrophobicContact CG-CB 4.06Å; Y310-P387 HydrophobicContact CG-CG 4.3Å
311	G	81.1	Confident	94	Very high	49 Å²	49	40 Å²	40	51%	0.505	23%	0.233	S	C	.	.			trans	-111	156.6	175.6	0	0	0	0	0	111.2
312	T	90.8	Very high	93.9	Very high	32 Å²	32	40.7 Å²	40.7	20%	0.196	24%	0.237	C	C	.	.			trans	-113.5	159	167.2	76.7	0	0	0	0	108.4	L314 S315 I384 P387	T312-L314 PolarHBondContact O-N 2.68Å; T312-L314 PolarHBondContact OG1-N 3.38Å; T312-S315 PolarHBondContact N-OG 3.36Å; T312-S315 VanDerWaalsContact O-CB 3.24Å; T312-S315 WeakPolarHBondContact O-CB 3.42Å; T312-S315 PolarHBondContact O-N 3.12Å; T312-S315 PolarHBondContact O-OG 2.83Å; T312-S315 PolarHBondContact OG1-N 3.39Å; T312-S315 PolarHBondContact OG1-OG 2.91Å; T312-S315 VanDerWaalsContact OG1-OG 3.1Å; T312-I384 VanDerWaalsContact CG2-O 3.25Å; T312-I384 WeakPolarHBondContact CG2-O 3.05Å; T312-P387 HydrophobicContact CG2-CG 4.1Å
313	P	92	Very high	93.9	Very high	44 Å²	44	36.9 Å²	36.9	29%	0.286	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-15.8	172.4	-28.2	37	0	0	0	115.1	F357 F385	P313-F357 HydrophobicContact CB-CB 4.21Å; P313-F385 HydrophobicContact CB-CE1 4.25Å; P313-F385 HydrophobicContact CG-CE1 4Å; P313-F385 HydrophobicContact CG-CZ 4.11Å
314	L	95.2	Very high	93.7	Very high	20 Å²	20	38 Å²	38	11%	0.105	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	9.1	177.9	-80.3	159.2	0	0	0	112.9	T312 V316 F357 F385 V421 N425 F426	T312-L314 PolarHBondContact O-N 2.68Å; T312-L314 PolarHBondContact OG1-N 3.38Å; L314-V316 PolarHBondContact O-N 2.99Å; L314-F357 HydrophobicContact CD1-CB 4.37Å; L314-F357 HydrophobicContact CD1-CD1 4.4Å; L314-F357 HydrophobicContact CD1-CD2 4.18Å; L314-F357 HydrophobicContact CD1-CG 4.04Å; L314-F357 HydrophobicContact CD2-CD1 3.58Å; L314-F357 HydrophobicContact CD2-CD2 4.09Å; L314-F357 HydrophobicContact CD2-CE1 3.36Å; L314-F357 HydrophobicContact CD2-CE2 3.91Å; L314-F357 HydrophobicContact CD2-CG 3.94Å; L314-F357 HydrophobicContact CD2-CZ 3.54Å; L314-F357 HydrophobicContact CG-CB 4.33Å; L314-F357 HydrophobicContact CG-CD1 3.65Å; L314-F357 HydrophobicContact CG-CD2 4.25Å; L314-F357 HydrophobicContact CG-CE1 4Å; L314-F357 HydrophobicContact CG-CG 3.79Å; L314-F357 HydrophobicContact CG-CZ 4.44Å; L314-F385 HydrophobicContact CD1-CD1 4.44Å; L314-F385 HydrophobicContact CD1-CE1 4.32Å; L314-V421 HydrophobicContact CD1-CG1 3.65Å; L314-N425 HydrophobicContact CD1-CB 4.19Å; L314-N425 WeakPolarHBondContact CD1-ND2 3.2Å; L314-F426 HydrophobicContact CD2-CE2 4.09Å; L314-F426 HydrophobicContact CD2-CZ 3.77Å
315	S	92.3	Very high	93.6	Very high	41 Å²	41	42.2 Å²	42.2	29%	0.287	26%	0.259	S	S	.	.			trans	-68	126	-176.2	-73.3	0	0	0	0	112.5	T312	T312-S315 PolarHBondContact N-OG 3.36Å; T312-S315 VanDerWaalsContact O-CB 3.24Å; T312-S315 WeakPolarHBondContact O-CB 3.42Å; T312-S315 PolarHBondContact O-N 3.12Å; T312-S315 PolarHBondContact O-OG 2.83Å; T312-S315 PolarHBondContact OG1-N 3.39Å; T312-S315 PolarHBondContact OG1-OG 2.91Å; T312-S315 VanDerWaalsContact OG1-OG 3.1Å
316	V	97.3	Very high	93.8	Very high	12 Å²	12	39.4 Å²	39.4	7%	0.073	24%	0.235	C	C	.	.			trans	-103.4	93.2	170.9	177.4	0	0	0	0	107.3	G145 F146 W259 R270 L314	G145-V316 WeakPolarHBondContact O-CG2 3.25Å; F146-V316 HydrophobicContact CB-CG1 4.27Å; F146-V316 HydrophobicContact CD2-CG1 3.9Å; F146-V316 HydrophobicContact CD2-CG2 4.48Å; W259-V316 HydrophobicContact CB-CG2 4.09Å; W259-V316 HydrophobicContact CE3-CG2 4.32Å; W259-V316 WeakPolarHBondContact O-CB 3.35Å; W259-V316 VanDerWaalsContact O-CG2 3.25Å; W259-V316 WeakPolarHBondContact O-CG2 3.39Å; R270-V316 PolarHBondContact NH1-O 3.47Å; L314-V316 PolarHBondContact O-N 2.99Å
317	N	97.7	Very high	93.8	Very high	22 Å²	22	33 Å²	33	12%	0.118	21%	0.207	C	C	.	.	S	Bend	trans	-68.1	-44.3	-175.7	-68.9	-21.5	0	0	0	111.2	R270 E304 V307	R270-N317 WeakPolarHBondContact CD-O 3.45Å; R270-N317 PolarHBondContact NH1-O 3.03Å; E304-N317 PolarHBondContact O-ND2 2.89Å; V307-N317 HydrophobicContact CG2-CB 3.9Å
318	F	98.8	Very high	93.8	Very high	4 Å²	4	36.5 Å²	36.5	2%	0.018	23%	0.229	C	C	.	.	S	Bend	trans	-124.3	107.4	173.8	-67.1	-78.4	0	0	0	109.9	Q147 A178 F181 L182 R270 L274 E304 V307	Q147-F318 PolarHBondContact NE2-O 3.3Å; A178-F318 HydrophobicContact CB-CD1 4.34Å; A178-F318 HydrophobicContact CB-CD2 3.73Å; A178-F318 HydrophobicContact CB-CE1 4.42Å; A178-F318 HydrophobicContact CB-CE2 3.82Å; A178-F318 HydrophobicContact CB-CG 4Å; A178-F318 HydrophobicContact CB-CZ 4.17Å; F181-F318 VanDerWaalsContact CB-C 3.44Å; F181-F318 HydrophobicContact CB-CB 3.9Å; F181-F318 WeakPolarHBondContact CB-O 3.22Å; L182-F318 HydrophobicContact CB-CD1 4.48Å; R270-F318 HydrophobicContact CB-CE1 4.24Å; R270-F318 HydrophobicContact CB-CZ 4.37Å; L274-F318 HydrophobicContact CB-CZ 4.11Å; L274-F318 HydrophobicContact CD2-CE2 4.13Å; L274-F318 HydrophobicContact CD2-CZ 3.76Å; L274-F318 HydrophobicContact CG-CZ 4.47Å; E304-F318 HydrophobicContact CB-CE2 4.4Å; E304-F318 HydrophobicContact CG-CD2 4.21Å; E304-F318 HydrophobicContact CG-CE2 4.08Å; V307-F318 HydrophobicContact CB-CZ 4.47Å; V307-F318 HydrophobicContact CG1-CE2 3.98Å; V307-F318 HydrophobicContact CG1-CZ 3.98Å; V307-F318 HydrophobicContact CG2-CE2 4.05Å; V307-F318 HydrophobicContact CG2-CZ 4.25Å
319	G	98.4	Very high	94	Very high	4 Å²	4	38.1 Å²	38.1	4%	0.041	24%	0.236	C	C	.	.			trans	-140.3	-170	-179.4	0	0	0	0	0	112.6
320	P	98.8	Very high	94.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	22%	0.216	C	C	.	.			trans	-52.6	144.4	177.3	-28.7	35.5	0	0	0	114	F146 F181 N193 L196 L234 A260 V261 T262	F146-P320 HydrophobicContact CD1-CG 4.25Å; F146-P320 HydrophobicContact CD2-CG 4.41Å; F146-P320 HydrophobicContact CE1-CG 3.76Å; F146-P320 HydrophobicContact CE2-CG 3.94Å; F146-P320 HydrophobicContact CZ-CG 3.59Å; F181-P320 HydrophobicContact CE1-CG 4.01Å; N193-P320 VanDerWaalsContact OD1-CA 3.3Å; N193-P320 WeakPolarHBondContact OD1-CA 3.43Å; L196-P320 HydrophobicContact CD1-CB 4.03Å; L196-P320 HydrophobicContact CD1-CG 4.12Å; L234-P320 HydrophobicContact CD1-CB 3.77Å; L234-P320 HydrophobicContact CD1-CG 3.68Å; A260-P320 WeakPolarHBondContact O-CD 3.32Å; A260-P320 WeakPolarHBondContact O-CG 3.33Å; V261-P320 WeakPolarHBondContact CA-O 3.48Å; V261-P320 HydrophobicContact CG2-CB 4.35Å; T262-P320 PolarHBondContact N-O 3.4Å
321	T	98.1	Very high	95.3	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.006	19%	0.192	C	C	.	.			trans	-140.8	168.4	174.6	-161.4	0	0	0	0	111.6	A183 N193 T262 L264 D323	A183-T321 HydrophobicContact CB-CG2 4.01Å; N193-T321 PolarHBondContact ND2-O 3.39Å; N193-T321 PolarHBondContact OD1-N 2.66Å; N193-T321 PolarHBondContact OD1-O 3.46Å; T262-T321 WeakPolarHBondContact O-CB 3.24Å; T262-T321 PolarHBondContact O-OG1 2.76Å; L264-T321 HydrophobicContact CD2-CG2 4Å; L264-T321 WeakPolarHBondContact CD2-OG1 3.46Å; T321-D323 PolarHBondContact O-N 2.9Å; T321-D323 VanDerWaalsContact O-N 3.09Å
322	V	97.5	Very high	95.9	Very high	17 Å²	17	30.3 Å²	30.3	10%	0.103	19%	0.185	C	C	.	.			trans	-82.6	82.3	177.3	-176.3	0	0	0	0	109.9	L264 G324 D329 M330	L264-V322 WeakPolarHBondContact CD1-O 3.34Å; L264-V322 WeakPolarHBondContact CD2-O 3.31Å; V322-G324 VanDerWaalsContact C-N 3.28Å; V322-G324 PolarHBondContact O-N 3.46Å; V322-D329 VanDerWaalsContact CG1-C 3.5Å; V322-M330 HydrophobicContact CG2-CG 4.45Å; V322-M330 HydrophobicContact CG2-SD 3.57Å; V322-M330 VanDerWaalsContact CG2-SD 3.57Å
323	D	95.4	Very high	96.1	Very high	27 Å²	27	32.1 Å²	32.1	14%	0.144	19%	0.193	C	C	.	.			trans	-77.4	-9	-173.8	64.4	-16.4	0	0	0	114.4	N193 F197 T321 D325 F326 L327	N193-D323 PolarHBondContact ND2-OD1 3.3Å; N193-D323 PolarHBondContact ND2-OD2 2.94Å; N193-D323 VanDerWaalsContact ND2-OD2 3.14Å; F197-D323 WeakPolarHBondContact CE2-OD2 3.32Å; T321-D323 PolarHBondContact O-N 2.9Å; T321-D323 VanDerWaalsContact O-N 3.09Å; D323-D325 PolarHBondContact O-N 3.3Å; D323-D325 PolarHBondContact OD1-N 2.94Å; D323-D325 VanDerWaalsContact OD1-N 3.11Å; D323-F326 PolarHBondContact OD1-N 2.87Å; D323-F326 WeakPolarHBondContact OD2-CB 3.4Å; D323-F326 PolarHBondContact OD2-N 3.25Å; D323-F326 VanDerWaalsContact OD2-N 3.15Å; D323-L327 PolarHBondContact OD1-N 3.45Å
324	G	94.4	Very high	96.3	Very high	54 Å²	54	30.1 Å²	30.1	56%	0.557	18%	0.18	S	C	*	.	S	Bend	trans	74.1	11.5	-175	0	0	0	0	0	113.5	V322 L327	V322-G324 VanDerWaalsContact C-N 3.28Å; V322-G324 PolarHBondContact O-N 3.46Å; G324-L327 WeakPolarHBondContact CA-O 3.36Å; G324-L327 PolarHBondContact N-O 3.27Å
325	D	95.6	Very high	96.4	Very high	91 Å²	91	29.2 Å²	29.2	49%	0.487	18%	0.175	S	C	.	.	S	Bend	trans	-133.6	-66.2	-175.3	-169.8	-46.8	0	0	0	111.3	K73 F197 D323	K73-D325 IonicContact NZ-OD1 3.87Å; K73-D325 PolarHBondContact NZ-OD1 3.02Å; K73-D325 IonicContact NZ-OD2 3.81Å; K73-D325 PolarHBondContact NZ-OD2 3.07Å; F197-D325 HydrophobicContact CZ-CB 4.3Å; F197-D325 WeakPolarHBondContact CZ-OD1 3.46Å; D323-D325 PolarHBondContact O-N 3.3Å; D323-D325 PolarHBondContact OD1-N 2.94Å; D323-D325 VanDerWaalsContact OD1-N 3.11Å
326	F	98.3	Very high	96.5	Very high	1 Å²	1	33.5 Å²	33.5	0%	0.004	19%	0.19	C	C	.	.	S	Bend	trans	-71.9	-49.2	170.6	-171.5	-85	0	0	0	110.6	N193 L196 F197 Q200 L234 H235 S238 D323	N193-F326 HydrophobicContact CB-CB 4.43Å; L196-F326 HydrophobicContact CB-CD1 4.36Å; L196-F326 HydrophobicContact CB-CD2 4.04Å; L196-F326 HydrophobicContact CB-CE1 4.24Å; L196-F326 HydrophobicContact CB-CE2 3.87Å; L196-F326 HydrophobicContact CB-CG 4.28Å; L196-F326 HydrophobicContact CB-CZ 3.97Å; L196-F326 HydrophobicContact CD1-CD1 3.82Å; L196-F326 HydrophobicContact CD1-CE1 3.82Å; L196-F326 HydrophobicContact CD1-CG 4.39Å; L196-F326 HydrophobicContact CD1-CZ 4.35Å; L196-F326 HydrophobicContact CG-CE1 4.46Å; F197-F326 HydrophobicContact CD1-CD2 4.39Å; F197-F326 HydrophobicContact CE1-CB 4.2Å; F197-F326 HydrophobicContact CE1-CD2 4.14Å; F197-F326 HydrophobicContact CE2-CB 3.78Å; F197-F326 HydrophobicContact CZ-CB 3.51Å; F197-F326 HydrophobicContact CZ-CD2 4.25Å; F197-F326 HydrophobicContact CZ-CG 4.38Å; Q200-F326 HydrophobicContact CB-CE2 4.4Å; L234-F326 HydrophobicContact CB-CE1 4.03Å; H235-F326 AromaticContact CE1-CE2 3.76Å; H235-F326 AromaticContact CE1-CZ 3.69Å; H235-F326 AromaticContact ND1-CE2 3.8Å; H235-F326 AromaticContact ND1-CZ 3.5Å; H235-F326 WeakPolarHBondContact ND1-CZ 3.21Å; S238-F326 VanDerWaalsContact CB-O 3.23Å; S238-F326 WeakPolarHBondContact CB-O 3.16Å; S238-F326 PolarHBondContact OG-O 3.29Å; D323-F326 PolarHBondContact OD1-N 2.87Å; D323-F326 WeakPolarHBondContact OD2-CB 3.4Å; D323-F326 PolarHBondContact OD2-N 3.25Å; D323-F326 VanDerWaalsContact OD2-N 3.15Å
327	L	97.7	Very high	96.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.211	C	C	.	.	S	Bend	trans	-110.6	113.6	172.7	-83.5	179.8	0	0	0	108.8	L234 L237 D323 G324 P331 L334	L234-L327 HydrophobicContact CD2-CD1 3.83Å; L234-L327 HydrophobicContact CD2-CD2 4.07Å; L234-L327 HydrophobicContact CD2-CG 4.3Å; L237-L327 HydrophobicContact CB-CD2 4.12Å; L237-L327 HydrophobicContact CD1-CD2 4.13Å; D323-L327 PolarHBondContact OD1-N 3.45Å; G324-L327 WeakPolarHBondContact CA-O 3.36Å; G324-L327 PolarHBondContact N-O 3.27Å; L327-P331 HydrophobicContact CD2-CB 4.45Å; L327-L334 HydrophobicContact CD2-CD1 4.24Å
328	T	94.9	Very high	96.4	Very high	75 Å²	75	37.1 Å²	37.1	46%	0.46	21%	0.212	S	C	.	.	S	Bend	trans	-79.9	-21.4	-177	53.5	0	0	0	0	113.6
329	D	96	Very high	96.3	Very high	55 Å²	55	41.8 Å²	41.8	29%	0.294	23%	0.234	S	C	.	.	S	Bend	trans	-153.6	178.2	178.8	-153.6	-13.8	0	0	0	110.1	V322 L334	V322-D329 VanDerWaalsContact CG1-C 3.5Å; D329-L334 HydrophobicContact CB-CD2 3.93Å; D329-L334 HydrophobicContact CB-CG 4.18Å
330	M	95	Very high	96.3	Very high	67 Å²	67	42.1 Å²	42.1	33%	0.33	23%	0.234	S	C	.	.			trans	-56.2	129.7	172	-67.8	-62.7	-63	0	0	110.2	V322 D332 I333 L334	V322-M330 HydrophobicContact CG2-CG 4.45Å; V322-M330 HydrophobicContact CG2-SD 3.57Å; V322-M330 VanDerWaalsContact CG2-SD 3.57Å; M330-D332 VanDerWaalsContact C-N 3.3Å; M330-D332 PolarHBondContact O-N 3.16Å; M330-I333 HydrophobicContact CB-CB 4.46Å; M330-I333 HydrophobicContact CB-CD1 3.88Å; M330-I333 HydrophobicContact CB-CG1 3.99Å; M330-I333 HydrophobicContact CG-CD1 4.38Å; M330-I333 WeakPolarHBondContact O-CB 3.45Å; M330-I333 PolarHBondContact O-N 3.21Å; M330-L334 PolarHBondContact O-N 2.87Å; M330-L334 VanDerWaalsContact O-N 3.15Å
331	P	96.3	Very high	96.3	Very high	2 Å²	2	44 Å²	44	1%	0.013	24%	0.242	C	C	.	.	H	α-helix	trans	-69.2	-27.6	-168.7	31.2	-39.6	0	0	0	113.1	L237 F255 V261 L327 I333 L334 L335	L237-P331 HydrophobicContact CD1-CB 3.29Å; F255-P331 HydrophobicContact CD2-CB 3.39Å; F255-P331 HydrophobicContact CD2-CG 3.58Å; F255-P331 VanDerWaalsContact CE2-C 3.5Å; F255-P331 HydrophobicContact CE2-CB 3.54Å; F255-P331 HydrophobicContact CE2-CG 3.96Å; F255-P331 HydrophobicContact CG-CB 3.98Å; F255-P331 HydrophobicContact CG-CG 4.41Å; F255-P331 HydrophobicContact CZ-CB 4.17Å; F255-P331 WeakPolarHBondContact CZ-O 3.44Å; V261-P331 HydrophobicContact CG1-CG 4.5Å; V261-P331 HydrophobicContact CG2-CG 4.17Å; L327-P331 HydrophobicContact CD2-CB 4.45Å; P331-I333 VanDerWaalsContact C-N 3.33Å; P331-I333 PolarHBondContact O-N 3.35Å; P331-L334 PolarHBondContact O-N 3.1Å; P331-L335 WeakPolarHBondContact O-CB 3.47Å; P331-L335 PolarHBondContact O-N 3.36Å
332	D	93.4	Very high	96.4	Very high	67 Å²	67	48.2 Å²	48.2	36%	0.358	26%	0.26	S	S	.	.	H	α-helix	trans	-62.9	-39.2	172	-66.4	-50.7	0	0	0	112.3	N256 M330 L335 E336	N256-D332 WeakPolarHBondContact CB-OD1 3.28Å; M330-D332 VanDerWaalsContact C-N 3.3Å; M330-D332 PolarHBondContact O-N 3.16Å; D332-L335 PolarHBondContact O-N 3.26Å; D332-E336 WeakPolarHBondContact O-CB 3.42Å; D332-E336 PolarHBondContact O-N 2.92Å
333	I	94.7	Very high	96.4	Very high	71 Å²	71	47.9 Å²	47.9	36%	0.364	26%	0.259	S	S	.	.	H	α-helix	trans	-65.6	-45.8	175.6	-59.6	179.2	0	0	0	109.6	M330 P331 L335 E336 L337	M330-I333 HydrophobicContact CB-CB 4.46Å; M330-I333 HydrophobicContact CB-CD1 3.88Å; M330-I333 HydrophobicContact CB-CG1 3.99Å; M330-I333 HydrophobicContact CG-CD1 4.38Å; M330-I333 WeakPolarHBondContact O-CB 3.45Å; M330-I333 PolarHBondContact O-N 3.21Å; P331-I333 VanDerWaalsContact C-N 3.33Å; P331-I333 PolarHBondContact O-N 3.35Å; I333-L335 VanDerWaalsContact C-N 3.32Å; I333-L335 PolarHBondContact O-N 3.15Å; I333-E336 PolarHBondContact O-N 3.2Å; I333-L337 HydrophobicContact CG2-CD1 3.71Å; I333-L337 HydrophobicContact CG2-CG 4.22Å; I333-L337 WeakPolarHBondContact O-CB 3.25Å; I333-L337 WeakPolarHBondContact O-CG 3.43Å; I333-L337 PolarHBondContact O-N 3Å
334	L	96.5	Very high	96.6	Very high	2 Å²	2	49 Å²	49	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-60.5	-41.8	178.5	-62.9	178.8	0	0	0	111.7	L237 L327 D329 M330 P331 G338 Q339	L237-L334 HydrophobicContact CB-CD1 4.25Å; L237-L334 HydrophobicContact CD1-CB 4.47Å; L237-L334 HydrophobicContact CD1-CD1 4.39Å; L237-L334 HydrophobicContact CD2-CB 4.3Å; L327-L334 HydrophobicContact CD2-CD1 4.24Å; D329-L334 HydrophobicContact CB-CD2 3.93Å; D329-L334 HydrophobicContact CB-CG 4.18Å; M330-L334 PolarHBondContact O-N 2.87Å; M330-L334 VanDerWaalsContact O-N 3.15Å; P331-L334 PolarHBondContact O-N 3.1Å; L334-G338 PolarHBondContact O-N 2.98Å; L334-Q339 HydrophobicContact CB-CB 4.31Å; L334-Q339 HydrophobicContact CD2-CB 3.98Å; L334-Q339 WeakPolarHBondContact O-CA 3.45Å; L334-Q339 PolarHBondContact O-N 3.34Å
335	L	96.9	Very high	96.8	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-67.5	-45.2	177.2	176.9	63	0	0	0	112.2	F255 P331 D332 I333 L337 G338 F340 F433 K436 F437 W440	F255-L335 HydrophobicContact CE1-CB 4.46Å; F255-L335 HydrophobicContact CE1-CD2 4.25Å; F255-L335 HydrophobicContact CZ-CB 3.73Å; F255-L335 HydrophobicContact CZ-CD2 3.61Å; F255-L335 HydrophobicContact CZ-CG 4.24Å; P331-L335 WeakPolarHBondContact O-CB 3.47Å; P331-L335 PolarHBondContact O-N 3.36Å; D332-L335 PolarHBondContact O-N 3.26Å; I333-L335 VanDerWaalsContact C-N 3.32Å; I333-L335 PolarHBondContact O-N 3.15Å; L335-L337 VanDerWaalsContact C-N 3.34Å; L335-L337 PolarHBondContact O-N 3.47Å; L335-G338 PolarHBondContact O-N 3.49Å; L335-F340 HydrophobicContact CD1-CD1 4.03Å; L335-F340 HydrophobicContact CD1-CE1 3.78Å; L335-F340 HydrophobicContact CD1-CZ 4.4Å; L335-F433 HydrophobicContact CD2-CD2 3.98Å; L335-K436 HydrophobicContact CD1-CB 4.16Å; L335-K436 HydrophobicContact CD2-CB 3.84Å; L335-K436 HydrophobicContact CD2-CD 3.87Å; L335-K436 HydrophobicContact CD2-CG 4.47Å; L335-K436 HydrophobicContact CG-CB 3.84Å; L335-K436 HydrophobicContact CG-CD 4.13Å; L335-F437 HydrophobicContact CD1-CB 4.39Å; L335-W440 PolarHBondContact O-NE1 2.99Å
336	E	94.8	Very high	97	Very high	130 Å²	130	42 Å²	42	61%	0.607	21%	0.213	S	C	*	.	H	α-helix	trans	-63.1	-39.4	179.1	-174.9	166.8	-180	0	0	112.2	D332 I333 G338 W440	D332-E336 WeakPolarHBondContact O-CB 3.42Å; D332-E336 PolarHBondContact O-N 2.92Å; I333-E336 PolarHBondContact O-N 3.2Å; E336-G338 VanDerWaalsContact C-N 3.28Å; E336-G338 PolarHBondContact O-N 3.01Å; E336-W440 WeakPolarHBondContact O-CZ2 3.43Å
337	L	95.6	Very high	97	Very high	97 Å²	97	42 Å²	42	51%	0.508	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	0.5	177.5	-63.8	-179	0	0	0	114.1	I333 L335 Q339 W440	I333-L337 HydrophobicContact CG2-CD1 3.71Å; I333-L337 HydrophobicContact CG2-CG 4.22Å; I333-L337 WeakPolarHBondContact O-CB 3.25Å; I333-L337 WeakPolarHBondContact O-CG 3.43Å; I333-L337 PolarHBondContact O-N 3Å; L335-L337 VanDerWaalsContact C-N 3.34Å; L335-L337 PolarHBondContact O-N 3.47Å; L337-Q339 VanDerWaalsContact C-N 3.29Å; L337-Q339 HydrophobicContact CB-CG 4.09Å; L337-Q339 PolarHBondContact O-N 3.38Å; L337-W440 WeakPolarHBondContact O-CH2 3.41Å
338	G	96.7	Very high	97	Very high	13 Å²	13	42 Å²	42	13%	0.134	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	20.9	179.5	0	0	0	0	0	114.1	L334 L335 E336 F340 K342	L334-G338 PolarHBondContact O-N 2.98Å; L335-G338 PolarHBondContact O-N 3.49Å; E336-G338 VanDerWaalsContact C-N 3.28Å; E336-G338 PolarHBondContact O-N 3.01Å; G338-F340 VanDerWaalsContact C-N 3.32Å; G338-F340 PolarHBondContact O-N 2.89Å; G338-F340 VanDerWaalsContact O-N 3.12Å; G338-K342 PolarHBondContact O-NZ 2.59Å
339	Q	97.9	Very high	97.2	Very high	103 Å²	103	38.5 Å²	38.5	48%	0.481	19%	0.191	S	C	.	.			trans	-88.7	68.9	179.8	-60.5	-171.4	27.2	0	0	111.1	L334 L337	L334-Q339 HydrophobicContact CB-CB 4.31Å; L334-Q339 HydrophobicContact CD2-CB 3.98Å; L334-Q339 WeakPolarHBondContact O-CA 3.45Å; L334-Q339 PolarHBondContact O-N 3.34Å; L337-Q339 VanDerWaalsContact C-N 3.29Å; L337-Q339 HydrophobicContact CB-CG 4.09Å; L337-Q339 PolarHBondContact O-N 3.38Å
340	F	98.6	Very high	97.4	Very high	10 Å²	10	35.9 Å²	35.9	4%	0.044	18%	0.177	C	C	.	.	S	Bend	trans	-153.9	160.9	-179.5	60.2	-98.7	0	0	0	110.9	L236 L237 L335 G338 K342 F437 W440	L236-F340 CarbonylContact O-C 3.6Å; L236-F340 WeakPolarHBondContact O-CA 3.49Å; L236-F340 WeakPolarHBondContact O-CB 3.41Å; L237-F340 HydrophobicContact CD2-CB 3.63Å; L335-F340 HydrophobicContact CD1-CD1 4.03Å; L335-F340 HydrophobicContact CD1-CE1 3.78Å; L335-F340 HydrophobicContact CD1-CZ 4.4Å; G338-F340 VanDerWaalsContact C-N 3.32Å; G338-F340 PolarHBondContact O-N 2.89Å; G338-F340 VanDerWaalsContact O-N 3.12Å; F340-K342 HydrophobicContact CD2-CD 4.33Å; F340-K342 HydrophobicContact CE2-CD 3.83Å; F340-K342 HydrophobicContact CZ-CD 4.35Å; F340-K342 PolarHBondContact O-N 3.35Å; F340-K342 VanDerWaalsContact O-N 3.17Å; F340-K342 PolarHBondContact O-NZ 3.17Å; F340-F437 AromaticContact CD2-CD2 3.77Å; F340-F437 HydrophobicContact CD2-CD2 3.77Å; F340-F437 AromaticContact CD2-CE2 3.39Å; F340-F437 HydrophobicContact CD2-CE2 3.39Å; F340-F437 HydrophobicContact CD2-CZ 4.16Å; F340-F437 AromaticContact CE2-CD2 3.41Å; F340-F437 HydrophobicContact CE2-CD2 3.41Å; F340-F437 VanDerWaalsContact CE2-CD2 3.41Å; F340-F437 HydrophobicContact CE2-CE1 4.44Å; F340-F437 AromaticContact CE2-CE2 3.3Å; F340-F437 HydrophobicContact CE2-CE2 3.3Å; F340-F437 HydrophobicContact CE2-CG 4.05Å; F340-F437 AromaticContact CE2-CZ 3.86Å; F340-F437 HydrophobicContact CE2-CZ 3.86Å; F340-F437 HydrophobicContact CG-CE2 4.4Å; F340-F437 AromaticContact CZ-CD2 3.91Å; F340-F437 HydrophobicContact CZ-CD2 3.91Å; F340-F437 HydrophobicContact CZ-CE2 4.25Å; F340-F437 HydrophobicContact CZ-CG 4.3Å; F340-W440 HydrophobicContact CE1-CB 4.47Å; F340-W440 AromaticContact CE1-CD1 3.54Å; F340-W440 AromaticContact CE1-CG 3.96Å; F340-W440 HydrophobicContact CE1-CG 3.96Å; F340-W440 AromaticContact CE1-NE1 3.97Å; F340-W440 HydrophobicContact CE2-CB 4.46Å; F340-W440 HydrophobicContact CZ-CB 3.7Å; F340-W440 AromaticContact CZ-CD1 3.51Å; F340-W440 AromaticContact CZ-CG 3.66Å; F340-W440 HydrophobicContact CZ-CG 3.66Å
341	K	98.7	Very high	97.6	Very high	39 Å²	39	37 Å²	37	17%	0.17	18%	0.18	C	C	.	.			trans	-58.2	115.5	174.6	-178.5	-174.3	176.9	69.7	0	111.5	L236 H242 F245 T246 T343	L236-K341 HydrophobicContact CD2-CB 4.08Å; L236-K341 HydrophobicContact CD2-CD 4.18Å; L236-K341 HydrophobicContact CD2-CG 4.49Å; L236-K341 PolarHBondContact O-N 3.5Å; H242-K341 PolarHBondContact O-NZ 2.95Å; F245-K341 HydrophobicContact CD2-CD 4.23Å; F245-K341 HydrophobicContact CE1-CD 4.06Å; F245-K341 HydrophobicContact CE2-CD 3.63Å; F245-K341 HydrophobicContact CZ-CD 3.54Å; F245-K341 WeakPolarHBondContact O-CE 3.31Å; F245-K341 PolarHBondContact O-NZ 3.5Å; T246-K341 WeakPolarHBondContact O-CE 3.39Å; K341-T343 HydrophobicContact CD-CG2 4.14Å; K341-T343 HydrophobicContact CG-CG2 4.21Å; K341-T343 PolarHBondContact O-N 2.9Å
342	K	98.6	Very high	97.7	Very high	91 Å²	91	38.2 Å²	38.2	40%	0.396	19%	0.186	S	C	.	.			trans	-76	107.6	174	-56.4	-68.3	170.1	-87.2	0	110.1	G338 F340 W440 N442	G338-K342 PolarHBondContact O-NZ 2.59Å; F340-K342 HydrophobicContact CD2-CD 4.33Å; F340-K342 HydrophobicContact CE2-CD 3.83Å; F340-K342 HydrophobicContact CZ-CD 4.35Å; F340-K342 PolarHBondContact O-N 3.35Å; F340-K342 VanDerWaalsContact O-N 3.17Å; F340-K342 PolarHBondContact O-NZ 3.17Å; K342-W440 HydrophobicContact CD-CB 4.3Å; K342-N442 WeakPolarHBondContact CA-OD1 3.42Å; K342-N442 WeakPolarHBondContact CD-ND2 3.32Å
343	T	98.8	Very high	97.9	Very high	10 Å²	10	35 Å²	35	6%	0.061	17%	0.17	C	C	.	.			trans	-161.2	176.3	178.8	-166.5	0	0	0	0	110.6	L236 T246 R247 K341 F437 N442	L236-T343 HydrophobicContact CD2-CG2 3.9Å; T246-T343 VanDerWaalsContact O-CB 3.31Å; T246-T343 WeakPolarHBondContact O-CB 3.33Å; T246-T343 WeakPolarHBondContact O-CG2 3.49Å; T246-T343 PolarHBondContact O-OG1 3.47Å; R247-T343 PolarHBondContact NH1-OG1 3.34Å; K341-T343 HydrophobicContact CD-CG2 4.14Å; K341-T343 HydrophobicContact CG-CG2 4.21Å; K341-T343 PolarHBondContact O-N 2.9Å; T343-F437 WeakPolarHBondContact O-CE1 3.43Å; T343-F437 WeakPolarHBondContact O-CZ 3.48Å; T343-N442 PolarHBondContact N-OD1 2.77Å; T343-N442 VanDerWaalsContact N-OD1 3.07Å; T343-N442 VanDerWaalsContact O-CB 3.32Å; T343-N442 WeakPolarHBondContact O-CB 3.33Å; T343-N442 PolarHBondContact O-OD1 3.4Å
344	Q	98.9	Very high	98.1	Very high	49 Å²	49	31.7 Å²	31.7	23%	0.229	15%	0.152	C	C	.	.			trans	-77.5	145.1	175.4	-60.5	76.6	36.6	0	0	111.6	N443 F502	Q344-N443 VanDerWaalsContact CA-O 3.29Å; Q344-N443 WeakPolarHBondContact CA-O 3.42Å; Q344-N443 HydrophobicContact CG-CB 4.02Å; Q344-F502 HydrophobicContact CB-CE2 3.86Å; Q344-F502 HydrophobicContact CB-CZ 4.09Å; Q344-F502 WeakPolarHBondContact O-CZ 3.24Å
345	I	98.9	Very high	98.2	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	147.8	174.7	60.6	170.9	0	0	0	111.5	L236 A248 V347 F433 F437 N443 A444 F445 F502	L236-I345 HydrophobicContact CD1-CG2 4.03Å; A248-I345 HydrophobicContact CB-CG2 4.5Å; A248-I345 WeakPolarHBondContact O-CA 3.27Å; I345-V347 HydrophobicContact CB-CG2 4.33Å; I345-V347 HydrophobicContact CD1-CG2 3.79Å; I345-V347 HydrophobicContact CG1-CG2 4.2Å; I345-F433 HydrophobicContact CD1-CD1 4.39Å; I345-F433 HydrophobicContact CD1-CE1 3.74Å; I345-F437 HydrophobicContact CB-CE1 4.32Å; I345-F437 HydrophobicContact CD1-CB 3.94Å; I345-F437 HydrophobicContact CD1-CD1 3.34Å; I345-F437 HydrophobicContact CD1-CD2 4.3Å; I345-F437 HydrophobicContact CD1-CE1 3.85Å; I345-F437 HydrophobicContact CD1-CG 3.61Å; I345-F437 HydrophobicContact CG1-CD1 3.75Å; I345-F437 HydrophobicContact CG1-CE1 3.8Å; I345-F437 HydrophobicContact CG1-CG 4.46Å; I345-F437 HydrophobicContact CG2-CD1 4.27Å; I345-F437 HydrophobicContact CG2-CE1 3.66Å; I345-F437 HydrophobicContact CG2-CE2 4.11Å; I345-F437 HydrophobicContact CG2-CZ 3.57Å; I345-N443 PolarHBondContact N-O 2.82Å; I345-A444 HydrophobicContact CD1-CB 3.95Å; I345-A444 HydrophobicContact CG1-CB 3.62Å; I345-A444 CarbonylContact O-C 3.55Å; I345-A444 WeakPolarHBondContact O-CA 3.4Å; I345-F445 PolarHBondContact O-N 3.18Å; I345-F502 VanDerWaalsContact C-CZ 3.41Å
346	L	98.9	Very high	98.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	122.9	166.9	-170	159.9	0	0	0	107	A248 I249 L250 F445 Y447 W499 F502 P508 W518	A248-L346 PolarHBondContact O-N 3.23Å; A248-L346 VanDerWaalsContact O-N 3.14Å; I249-L346 CarbonylContact C-O 3.53Å; I249-L346 WeakPolarHBondContact CA-O 3.18Å; I249-L346 HydrophobicContact CB-CB 4.47Å; I249-L346 HydrophobicContact CG1-CB 4.12Å; I249-L346 HydrophobicContact CG2-CB 4.21Å; I249-L346 HydrophobicContact CG2-CD2 3.79Å; L250-L346 PolarHBondContact N-O 3.15Å; L346-F445 CarbonylContact C-O 3.49Å; L346-F445 WeakPolarHBondContact CA-O 3.39Å; L346-F445 HydrophobicContact CG-CB 4.36Å; L346-Y447 HydrophobicContact CD2-CD1 3.6Å; L346-Y447 HydrophobicContact CD2-CE1 3.72Å; L346-W499 HydrophobicContact CD2-CH2 4.18Å; L346-W499 HydrophobicContact CD2-CZ2 4Å; L346-F502 HydrophobicContact CB-CD1 4.06Å; L346-F502 HydrophobicContact CB-CD2 4.09Å; L346-F502 HydrophobicContact CB-CE1 3.96Å; L346-F502 HydrophobicContact CB-CE2 3.99Å; L346-F502 HydrophobicContact CB-CG 4.12Å; L346-F502 HydrophobicContact CB-CZ 3.92Å; L346-F502 HydrophobicContact CD1-CB 3.98Å; L346-F502 HydrophobicContact CD1-CD1 4.38Å; L346-F502 HydrophobicContact CD1-CD2 4.25Å; L346-F502 HydrophobicContact CD1-CG 3.93Å; L346-P508 HydrophobicContact CD1-CB 3.91Å; L346-P508 HydrophobicContact CD1-CG 4.36Å; L346-W518 HydrophobicContact CD1-CH2 3.99Å; L346-W518 HydrophobicContact CD1-CZ3 4.27Å; L346-W518 HydrophobicContact CD2-CH2 4.01Å; L346-W518 HydrophobicContact CD2-CZ2 4.4Å; L346-W518 HydrophobicContact CG-CH2 4.1Å; L346-W518 HydrophobicContact CG-CZ2 4.31Å
347	V	98.9	Very high	98.5	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.006	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	152.8	-174.9	-171.9	0	0	0	0	108.7	L250 I345 A430 F433 F445 F446 Y447	L250-V347 HydrophobicContact CB-CG1 4.22Å; L250-V347 HydrophobicContact CB-CG2 4.23Å; L250-V347 HydrophobicContact CD1-CG2 4.24Å; L250-V347 CarbonylContact O-C 3.54Å; L250-V347 VanDerWaalsContact O-CA 3.29Å; L250-V347 WeakPolarHBondContact O-CA 3.25Å; I345-V347 HydrophobicContact CB-CG2 4.33Å; I345-V347 HydrophobicContact CD1-CG2 3.79Å; I345-V347 HydrophobicContact CG1-CG2 4.2Å; V347-A430 HydrophobicContact CG1-CB 4.13Å; V347-F433 HydrophobicContact CG2-CD1 4.45Å; V347-F433 HydrophobicContact CG2-CE1 4.39Å; V347-F445 PolarHBondContact N-O 2.65Å; V347-F446 HydrophobicContact CB-CD2 3.97Å; V347-F446 HydrophobicContact CB-CE2 4.18Å; V347-F446 HydrophobicContact CG1-CD2 4.11Å; V347-F446 HydrophobicContact CG1-CE2 3.79Å; V347-F446 CarbonylContact O-C 3.59Å; V347-F446 WeakPolarHBondContact O-CA 3.44Å; V347-Y447 WeakPolarHBondContact O-CD1 3.48Å; V347-Y447 PolarHBondContact O-N 2.88Å
348	G	98.9	Very high	98.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.7	178.5	165.7	0	0	0	0	0	112.7	L250 S252 Y447	L250-G348 PolarHBondContact O-N 2.93Å; L250-G348 VanDerWaalsContact O-N 3.08Å; S252-G348 PolarHBondContact N-O 3.48Å; G348-Y447 VanDerWaalsContact CA-CE1 3.41Å; G348-Y447 WeakPolarHBondContact CA-O 3.28Å
349	V	98.9	Very high	98.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	162.2	-174.1	-61.3	0	0	0	0	110.1	E353 I427 A430 F446 Y447 Y448 F449 L542	V349-E353 WeakPolarHBondContact CA-OE1 3.47Å; V349-E353 WeakPolarHBondContact CB-OE1 3.08Å; V349-I427 HydrophobicContact CB-CG1 4.18Å; V349-I427 HydrophobicContact CG2-CB 4.24Å; V349-I427 HydrophobicContact CG2-CD1 4.29Å; V349-I427 HydrophobicContact CG2-CG1 3.79Å; V349-I427 HydrophobicContact CG2-CG2 4.07Å; V349-A430 HydrophobicContact CG1-CB 3.76Å; V349-F446 HydrophobicContact CG1-CZ 4.42Å; V349-F446 HydrophobicContact CG2-CE1 4.26Å; V349-F446 HydrophobicContact CG2-CZ 4.27Å; V349-Y447 PolarHBondContact N-O 3.04Å; V349-Y448 HydrophobicContact CG2-CD2 3.82Å; V349-Y448 HydrophobicContact CG2-CE2 4.16Å; V349-Y448 WeakPolarHBondContact O-CA 3.38Å; V349-F449 PolarHBondContact O-N 3.38Å; V349-L542 HydrophobicContact CG2-CD2 4.14Å
350	N	98.9	Very high	98.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	162.6	175.6	-61.1	-10.9	0	0	0	110.2	E353 F449 V464 M465 E469	N350-E353 HydrophobicContact CB-CG 4.38Å; N350-E353 PolarHBondContact N-OE1 2.95Å; N350-E353 WeakPolarHBondContact O-CG 3.17Å; N350-F449 CarbonylContact C-O 3.58Å; N350-F449 WeakPolarHBondContact CA-O 3.41Å; N350-F449 WeakPolarHBondContact OD1-CB 3.35Å; N350-V464 HydrophobicContact CB-CG1 4.34Å; N350-M465 PolarHBondContact ND2-O 2.71Å; N350-E469 PolarHBondContact ND2-OE2 3.46Å
351	K	98.9	Very high	98.4	Very high	91 Å²	91	23.9 Å²	23.9	40%	0.396	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-41.3	-176.8	176.9	-171.2	170.4	-172.3	0	113.4	Y448 F449 E450 V464	K351-Y448 WeakPolarHBondContact CA-OH 3.48Å; K351-Y448 HydrophobicContact CB-CE1 4.3Å; K351-Y448 HydrophobicContact CB-CE2 4.36Å; K351-Y448 HydrophobicContact CG-CE1 4.41Å; K351-Y448 WeakPolarHBondContact CG-OH 3.18Å; K351-F449 PolarHBondContact N-O 3.45Å; K351-E450 HydrophobicContact CB-CG 4.44Å; K351-V464 HydrophobicContact CB-CB 4.02Å; K351-V464 HydrophobicContact CB-CG2 4.17Å; K351-V464 HydrophobicContact CD-CG2 4.36Å
352	D	98.9	Very high	98.4	Very high	27 Å²	27	22.3 Å²	22.3	14%	0.144	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-122.4	48.6	-168.8	-53.9	-72.5	0	0	0	110.9	G354 T355 M462 G463 V464	D352-G354 VanDerWaalsContact C-N 3.26Å; D352-G354 PolarHBondContact O-N 3.12Å; D352-T355 HydrophobicContact CB-CG2 3.95Å; D352-T355 PolarHBondContact O-N 3.3Å; D352-T355 PolarHBondContact O-OG1 3.03Å; D352-M462 WeakPolarHBondContact CB-O 3.32Å; D352-G463 WeakPolarHBondContact OD2-CA 3.32Å; D352-V464 CarbonylContact C-O 3.59Å; D352-V464 PolarHBondContact N-O 3.21Å; D352-V464 PolarHBondContact OD2-N 2.56Å
353	E	98.9	Very high	98.3	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.005	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-42	-175.8	-67.2	-74.4	-169.6	0	0	113.4	S252 V349 N350 T355 F357 F426 I427 H466	S252-E353 WeakPolarHBondContact CB-OE1 3.2Å; S252-E353 PolarHBondContact OG-OE1 3.32Å; V349-E353 WeakPolarHBondContact CA-OE1 3.47Å; V349-E353 WeakPolarHBondContact CB-OE1 3.08Å; N350-E353 HydrophobicContact CB-CG 4.38Å; N350-E353 PolarHBondContact N-OE1 2.95Å; N350-E353 WeakPolarHBondContact O-CG 3.17Å; E353-T355 PolarHBondContact O-N 3.46Å; E353-F357 VanDerWaalsContact O-CE2 3.3Å; E353-F357 WeakPolarHBondContact O-CE2 3.44Å; E353-F426 HydrophobicContact CB-CB 4.16Å; E353-F426 HydrophobicContact CB-CD2 3.73Å; E353-F426 HydrophobicContact CB-CE2 4.5Å; E353-F426 HydrophobicContact CB-CG 4.18Å; E353-F426 HydrophobicContact CG-CB 3.92Å; E353-F426 HydrophobicContact CG-CD2 4.36Å; E353-F426 HydrophobicContact CG-CG 4.32Å; E353-I427 HydrophobicContact CG-CG1 4.26Å; E353-H466 VanDerWaalsContact OE2-CA 3.31Å; E353-H466 WeakPolarHBondContact OE2-CA 3.28Å; E353-H466 WeakPolarHBondContact OE2-CB 3.18Å; E353-H466 IonicContact OE2-CE1 3.48Å; E353-H466 IonicContact OE2-CG 3.57Å; E353-H466 IonicContact OE2-ND1 2.69Å; E353-H466 PolarHBondContact OE2-ND1 3.33Å
354	G	98.6	Very high	98.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-21.4	-170.9	0	0	0	0	0	115.1	D352 A356 F357 L358 G418	D352-G354 VanDerWaalsContact C-N 3.26Å; D352-G354 PolarHBondContact O-N 3.12Å; G354-A356 VanDerWaalsContact C-N 3.28Å; G354-A356 PolarHBondContact O-N 3.37Å; G354-F357 PolarHBondContact O-N 2.64Å; G354-F357 VanDerWaalsContact O-N 3.17Å; G354-L358 WeakPolarHBondContact O-CG 3.36Å; G354-G418 WeakPolarHBondContact CA-O 3.02Å
355	T	98.8	Very high	98.2	Very high	9 Å²	9	19.9 Å²	19.9	6%	0.055	12%	0.118	C	C	.	.	H	α-helix	trans	-64.7	-33	-169.9	60.6	0	0	0	0	112.6	D352 E353 F357 L358 W461 M462	D352-T355 HydrophobicContact CB-CG2 3.95Å; D352-T355 PolarHBondContact O-N 3.3Å; D352-T355 PolarHBondContact O-OG1 3.03Å; E353-T355 PolarHBondContact O-N 3.46Å; T355-F357 PolarHBondContact O-N 3.4Å; T355-L358 PolarHBondContact O-N 2.87Å; T355-W461 HydrophobicContact CG2-CZ3 4.3Å; T355-M462 WeakPolarHBondContact O-CE 3.48Å; T355-M462 PolarHBondContact OG1-O 2.84Å
356	A	98.2	Very high	98.2	Very high	13 Å²	13	21.7 Å²	21.7	11%	0.107	13%	0.13	C	C	.	.	H	α-helix	trans	-57.7	-32.9	178.2	0	0	0	0	0	112.8	G354 V359 Y360 M465 H466	G354-A356 VanDerWaalsContact C-N 3.28Å; G354-A356 PolarHBondContact O-N 3.37Å; A356-V359 WeakPolarHBondContact O-CG2 3.41Å; A356-Y360 WeakPolarHBondContact O-CD2 3.38Å; A356-Y360 VanDerWaalsContact O-CE2 3.27Å; A356-Y360 WeakPolarHBondContact O-CE2 3.32Å; A356-M465 HydrophobicContact CB-CE 3.74Å; A356-H466 HydrophobicContact CB-CB 4.26Å
357	F	98.4	Very high	98.1	Very high	29 Å²	29	23.6 Å²	23.6	13%	0.127	14%	0.139	C	C	.	.	H	α-helix	trans	-89.1	-19	-173.4	-54.5	-76.3	0	0	0	113	P313 L314 E353 G354 T355 V359 Y360 F385 V421 F426 H466	P313-F357 HydrophobicContact CB-CB 4.21Å; L314-F357 HydrophobicContact CD1-CB 4.37Å; L314-F357 HydrophobicContact CD1-CD1 4.4Å; L314-F357 HydrophobicContact CD1-CD2 4.18Å; L314-F357 HydrophobicContact CD1-CG 4.04Å; L314-F357 HydrophobicContact CD2-CD1 3.58Å; L314-F357 HydrophobicContact CD2-CD2 4.09Å; L314-F357 HydrophobicContact CD2-CE1 3.36Å; L314-F357 HydrophobicContact CD2-CE2 3.91Å; L314-F357 HydrophobicContact CD2-CG 3.94Å; L314-F357 HydrophobicContact CD2-CZ 3.54Å; L314-F357 HydrophobicContact CG-CB 4.33Å; L314-F357 HydrophobicContact CG-CD1 3.65Å; L314-F357 HydrophobicContact CG-CD2 4.25Å; L314-F357 HydrophobicContact CG-CE1 4Å; L314-F357 HydrophobicContact CG-CG 3.79Å; L314-F357 HydrophobicContact CG-CZ 4.44Å; E353-F357 VanDerWaalsContact O-CE2 3.3Å; E353-F357 WeakPolarHBondContact O-CE2 3.44Å; G354-F357 PolarHBondContact O-N 2.64Å; G354-F357 VanDerWaalsContact O-N 3.17Å; T355-F357 PolarHBondContact O-N 3.4Å; F357-V359 PolarHBondContact O-N 2.95Å; F357-Y360 PolarHBondContact O-N 3.18Å; F357-F385 HydrophobicContact CB-CE1 4.09Å; F357-F385 HydrophobicContact CB-CZ 4.21Å; F357-V421 HydrophobicContact CB-CG1 4.41Å; F357-V421 HydrophobicContact CD2-CG1 4.28Å; F357-F426 HydrophobicContact CD2-CE2 4.25Å; F357-F426 AromaticContact CE2-CE2 3.45Å; F357-F426 HydrophobicContact CE2-CE2 3.45Å; F357-F426 VanDerWaalsContact CE2-CE2 3.45Å; F357-F426 AromaticContact CE2-CZ 3.71Å; F357-F426 HydrophobicContact CE2-CZ 3.71Å; F357-F426 AromaticContact CZ-CE2 3.95Å; F357-F426 HydrophobicContact CZ-CE2 3.95Å; F357-F426 AromaticContact CZ-CZ 3.7Å; F357-F426 HydrophobicContact CZ-CZ 3.7Å; F357-H466 HydrophobicContact CE2-CB 4.19Å; F357-H466 HydrophobicContact CZ-CB 4.39Å; F357-H466 AromaticContact CZ-CD2 3.68Å
358	L	98.5	Very high	98.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-66.8	-39.7	-175.7	-53.5	179.7	0	0	0	111.7	G354 T355 Y360 G361 A362 F365 F385 L417 V421 W461	G354-L358 WeakPolarHBondContact O-CG 3.36Å; T355-L358 PolarHBondContact O-N 2.87Å; L358-Y360 PolarHBondContact O-N 2.79Å; L358-Y360 VanDerWaalsContact O-N 3.14Å; L358-G361 PolarHBondContact O-N 3.38Å; L358-A362 HydrophobicContact CB-CB 4.26Å; L358-A362 VanDerWaalsContact O-CB 3.26Å; L358-A362 WeakPolarHBondContact O-CB 3.33Å; L358-A362 PolarHBondContact O-N 2.99Å; L358-F365 HydrophobicContact CB-CB 4.28Å; L358-F365 HydrophobicContact CB-CD1 3.61Å; L358-F365 HydrophobicContact CB-CD2 4.18Å; L358-F365 HydrophobicContact CB-CE1 3.89Å; L358-F365 HydrophobicContact CB-CE2 4.44Å; L358-F365 HydrophobicContact CB-CG 3.75Å; L358-F365 HydrophobicContact CB-CZ 4.3Å; L358-F365 HydrophobicContact CD1-CD1 3.86Å; L358-F365 HydrophobicContact CD1-CE1 3.24Å; L358-F365 HydrophobicContact CD1-CE2 4.38Å; L358-F365 HydrophobicContact CD1-CZ 3.55Å; L358-F365 HydrophobicContact CG-CD1 4.37Å; L358-F365 HydrophobicContact CG-CE1 4.15Å; L358-F365 HydrophobicContact CG-CZ 4.39Å; L358-F385 HydrophobicContact CD2-CE2 3.55Å; L358-F385 HydrophobicContact CD2-CZ 3.79Å; L358-L417 HydrophobicContact CD2-CD2 4.04Å; L358-L417 HydrophobicContact CD2-CG 3.95Å; L358-V421 HydrophobicContact CD2-CG2 3.9Å; L358-W461 HydrophobicContact CD1-CZ3 4.27Å
359	V	98.3	Very high	98	Very high	17 Å²	17	33.1 Å²	33.1	10%	0.103	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-8.8	-178.5	-61.9	0	0	0	0	114.3	F101 A356 F357 F365 W458 W461 M462	F101-V359 HydrophobicContact CE2-CG2 4.16Å; F101-V359 HydrophobicContact CZ-CB 4.23Å; F101-V359 HydrophobicContact CZ-CG2 4.2Å; A356-V359 WeakPolarHBondContact O-CG2 3.41Å; F357-V359 PolarHBondContact O-N 2.95Å; V359-F365 HydrophobicContact CG1-CB 4.47Å; V359-W458 HydrophobicContact CG2-CH2 4.16Å; V359-W458 HydrophobicContact CG2-CZ3 3.86Å; V359-W461 HydrophobicContact CG1-CH2 3.73Å; V359-W461 HydrophobicContact CG1-CZ2 3.59Å; V359-M462 HydrophobicContact CG1-CE 4.18Å; V359-M462 HydrophobicContact CG1-SD 4.37Å; V359-M462 HydrophobicContact CG2-CE 4.22Å
360	Y	96.9	Very high	97.9	Very high	81 Å²	81	38 Å²	38	32%	0.318	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	9.3	179.3	-69.2	-86.8	0	0	0	113.5	D98 S100 F101 A356 F357 L358 W458	D98-Y360 WeakPolarHBondContact OD2-CE1 3.18Å; D98-Y360 PolarHBondContact OD2-OH 2.89Å; S100-Y360 WeakPolarHBondContact OG-CE1 3.4Å; F101-Y360 HydrophobicContact CD2-CE1 4.43Å; F101-Y360 AromaticContact CE2-CE1 3.91Å; F101-Y360 HydrophobicContact CE2-CE1 3.91Å; F101-Y360 HydrophobicContact CE2-CE2 4.38Å; F101-Y360 AromaticContact CE2-CZ 3.84Å; A356-Y360 WeakPolarHBondContact O-CD2 3.38Å; A356-Y360 VanDerWaalsContact O-CE2 3.27Å; A356-Y360 WeakPolarHBondContact O-CE2 3.32Å; F357-Y360 PolarHBondContact O-N 3.18Å; L358-Y360 PolarHBondContact O-N 2.79Å; L358-Y360 VanDerWaalsContact O-N 3.14Å; Y360-W458 HydrophobicContact CE2-CH2 4.44Å
361	G	93.9	Very high	97.8	Very high	43 Å²	43	38 Å²	38	44%	0.443	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	168.9	-12.5	172.1	0	0	0	0	0	117.1	L358	L358-G361 PolarHBondContact O-N 3.38Å
362	A	97.4	Very high	97.8	Very high	7 Å²	7	36.6 Å²	36.6	6%	0.058	21%	0.212	C	C	.	.			trans	-72.7	131.3	178.5	0	0	0	0	0	110.6	L358 F365 F385 L417	L358-A362 HydrophobicContact CB-CB 4.26Å; L358-A362 VanDerWaalsContact O-CB 3.26Å; L358-A362 WeakPolarHBondContact O-CB 3.33Å; L358-A362 PolarHBondContact O-N 2.99Å; A362-F365 HydrophobicContact CB-CD2 3.55Å; A362-F365 HydrophobicContact CB-CE2 4.05Å; A362-F365 HydrophobicContact CB-CG 4.31Å; A362-F365 PolarHBondContact O-N 3.4Å; A362-F385 HydrophobicContact CB-CE2 4.1Å; A362-L417 HydrophobicContact CB-CD2 4.31Å
363	P	97.3	Very high	97.7	Very high	48 Å²	48	35.6 Å²	35.6	31%	0.312	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	141.9	-179.4	26.8	-33.4	0	0	0	111.5	F365 E380	P363-F365 VanDerWaalsContact C-N 3.28Å; P363-F365 WeakPolarHBondContact O-CD2 3.5Å; P363-F365 PolarHBondContact O-N 3.25Å; P363-E380 HydrophobicContact CG-CB 3.71Å
364	G	97.4	Very high	97.5	Very high	31 Å²	31	39.3 Å²	39.3	32%	0.32	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.3	-10.8	-179.1	0	0	0	0	0	114.8
365	F	98.5	Very high	97.3	Very high	20 Å²	20	43.2 Å²	43.2	9%	0.088	24%	0.244	C	C	.	.			trans	-90.4	138.2	177.9	-71.2	-93	0	0	0	112.5	L358 V359 A362 P363 S371 I373 R414 L417 W461	L358-F365 HydrophobicContact CB-CB 4.28Å; L358-F365 HydrophobicContact CB-CD1 3.61Å; L358-F365 HydrophobicContact CB-CD2 4.18Å; L358-F365 HydrophobicContact CB-CE1 3.89Å; L358-F365 HydrophobicContact CB-CE2 4.44Å; L358-F365 HydrophobicContact CB-CG 3.75Å; L358-F365 HydrophobicContact CB-CZ 4.3Å; L358-F365 HydrophobicContact CD1-CD1 3.86Å; L358-F365 HydrophobicContact CD1-CE1 3.24Å; L358-F365 HydrophobicContact CD1-CE2 4.38Å; L358-F365 HydrophobicContact CD1-CZ 3.55Å; L358-F365 HydrophobicContact CG-CD1 4.37Å; L358-F365 HydrophobicContact CG-CE1 4.15Å; L358-F365 HydrophobicContact CG-CZ 4.39Å; V359-F365 HydrophobicContact CG1-CB 4.47Å; A362-F365 HydrophobicContact CB-CD2 3.55Å; A362-F365 HydrophobicContact CB-CE2 4.05Å; A362-F365 HydrophobicContact CB-CG 4.31Å; A362-F365 PolarHBondContact O-N 3.4Å; P363-F365 VanDerWaalsContact C-N 3.28Å; P363-F365 WeakPolarHBondContact O-CD2 3.5Å; P363-F365 PolarHBondContact O-N 3.25Å; F365-S371 WeakPolarHBondContact CA-OG 3.46Å; F365-I373 HydrophobicContact CD2-CG2 4.07Å; F365-I373 HydrophobicContact CE2-CD1 3.64Å; F365-I373 HydrophobicContact CE2-CG2 3.73Å; F365-I373 HydrophobicContact CZ-CD1 3.77Å; F365-I373 HydrophobicContact CZ-CG2 4.13Å; F365-R414 HydrophobicContact CE1-CB 4.45Å; F365-R414 HydrophobicContact CE1-CG 3.59Å; F365-R414 HydrophobicContact CZ-CB 4.47Å; F365-R414 HydrophobicContact CZ-CG 4.07Å; F365-L417 HydrophobicContact CE2-CD2 3.57Å; F365-L417 HydrophobicContact CZ-CB 4.3Å; F365-L417 HydrophobicContact CZ-CD2 3.92Å; F365-W461 AromaticContact CD1-CH2 3.51Å; F365-W461 HydrophobicContact CD1-CH2 3.51Å; F365-W461 HydrophobicContact CD1-CZ2 4.13Å; F365-W461 AromaticContact CD1-CZ3 3.77Å; F365-W461 HydrophobicContact CD1-CZ3 3.77Å; F365-W461 HydrophobicContact CE1-CH2 4.1Å; F365-W461 AromaticContact CE1-CZ3 3.86Å; F365-W461 HydrophobicContact CE1-CZ3 3.86Å
366	S	98.3	Very high	97.2	Very high	37 Å²	37	49.9 Å²	49.9	26%	0.259	27%	0.272	S	S	.	.			trans	-154.2	146	173.6	174.4	0	0	0	0	110.8	D368 N369 S371 W461	S366-D368 PolarHBondContact O-N 2.92Å; S366-D368 PolarHBondContact OG-N 3.07Å; S366-D368 VanDerWaalsContact OG-N 3.14Å; S366-N369 PolarHBondContact O-OD1 3.09Å; S366-S371 PolarHBondContact N-OG 2.85Å; S366-S371 PolarHBondContact O-OG 3.18Å; S366-W461 PolarHBondContact O-NE1 2.78Å
367	K	97.9	Very high	97.2	Very high	40 Å²	40	52.2 Å²	52.2	17%	0.174	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-18.7	172.7	68.9	167	-176.9	57.4	0	113.3	F101 F104 W458 P459	F101-K367 HydrophobicContact CB-CD 4.3Å; F101-K367 HydrophobicContact CD1-CD 3.61Å; F101-K367 HydrophobicContact CD1-CG 4.23Å; F101-K367 HydrophobicContact CD2-CD 4.35Å; F101-K367 HydrophobicContact CE1-CD 3.96Å; F101-K367 HydrophobicContact CE1-CG 4.11Å; F101-K367 HydrophobicContact CG-CD 3.81Å; F101-K367 HydrophobicContact CZ-CD 4.48Å; F104-K367 HydrophobicContact CD1-CD 4.1Å; F104-K367 HydrophobicContact CE1-CD 4.17Å; F104-K367 HydrophobicContact CG-CD 4.35Å; K367-W458 HydrophobicContact CB-CE3 4.01Å; K367-W458 HydrophobicContact CB-CZ3 3.87Å; K367-W458 HydrophobicContact CD-CZ3 4.46Å; K367-P459 WeakPolarHBondContact O-CD 3.19Å; K367-P459 VanDerWaalsContact O-CG 3.31Å; K367-P459 WeakPolarHBondContact O-CG 3.45Å
368	D	98	Very high	97.1	Very high	125 Å²	125	50.8 Å²	50.8	67%	0.668	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	4.2	-171.5	-60	-51.2	0	0	0	113.5	S366	S366-D368 PolarHBondContact O-N 2.92Å; S366-D368 PolarHBondContact OG-N 3.07Å; S366-D368 VanDerWaalsContact OG-N 3.14Å
369	N	96.7	Very high	97.1	Very high	77 Å²	77	53.6 Å²	53.6	41%	0.412	29%	0.288	S	S	.	.	S	Bend	trans	-136.9	-177.4	175.9	71.9	19.2	0	0	0	111.3	S366 S371 W461	S366-N369 PolarHBondContact O-OD1 3.09Å; N369-S371 VanDerWaalsContact C-N 3.27Å; N369-S371 PolarHBondContact O-N 2.05Å; N369-S371 VanDerWaalsContact OD1-CA 3.28Å; N369-S371 WeakPolarHBondContact OD1-CA 3.35Å; N369-S371 PolarHBondContact OD1-N 3Å; N369-S371 PolarHBondContact OD1-OG 3.33Å; N369-W461 PolarHBondContact O-NE1 2.95Å
370	N	97	Very high	97	Very high	101 Å²	101	56.2 Å²	56.2	54%	0.54	30%	0.299	S	S	.	.			trans	-82	-1.5	178.4	63.2	-2.7	0	0	0	114.3	I372 R414	N370-I372 VanDerWaalsContact C-N 3.26Å; N370-I372 HydrophobicContact CB-CG1 4.44Å; N370-I372 WeakPolarHBondContact ND2-CG1 3.11Å; N370-I372 PolarHBondContact O-N 3.08Å; N370-R414 WeakPolarHBondContact O-CD 3.39Å; N370-R414 PolarHBondContact O-NH1 2.98Å
371	S	97.9	Very high	97.1	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.284	C	S	.	.			trans	49.6	41	177.5	-63.7	0	0	0	0	113.8	F365 S366 N369 I373 R414 W461	F365-S371 WeakPolarHBondContact CA-OG 3.46Å; S366-S371 PolarHBondContact N-OG 2.85Å; S366-S371 PolarHBondContact O-OG 3.18Å; N369-S371 VanDerWaalsContact C-N 3.27Å; N369-S371 PolarHBondContact O-N 2.05Å; N369-S371 VanDerWaalsContact OD1-CA 3.28Å; N369-S371 WeakPolarHBondContact OD1-CA 3.35Å; N369-S371 PolarHBondContact OD1-N 3Å; N369-S371 PolarHBondContact OD1-OG 3.33Å; S371-I373 PolarHBondContact O-N 2.88Å; S371-R414 WeakPolarHBondContact O-CB 3.33Å; S371-R414 VanDerWaalsContact O-CD 3.25Å; S371-R414 WeakPolarHBondContact O-CD 3.28Å; S371-R414 WeakPolarHBondContact O-CG 3.39Å; S371-W461 WeakPolarHBondContact OG-CZ2 3.23Å; S371-W461 PolarHBondContact OG-NE1 3.19Å
372	I	97.5	Very high	97.2	Very high	63 Å²	63	50.4 Å²	50.4	32%	0.323	26%	0.263	S	S	.	.			trans	-69.9	122.4	171.2	-62.2	-59.5	0	0	0	108.2	N370 P410 E411	N370-I372 VanDerWaalsContact C-N 3.26Å; N370-I372 HydrophobicContact CB-CG1 4.44Å; N370-I372 WeakPolarHBondContact ND2-CG1 3.11Å; N370-I372 PolarHBondContact O-N 3.08Å; I372-P410 HydrophobicContact CD1-CB 4.15Å; I372-P410 HydrophobicContact CG2-CB 3.97Å; I372-E411 HydrophobicContact CD1-CB 4.17Å
373	I	97	Very high	97.2	Very high	6 Å²	6	53.8 Å²	53.8	3%	0.031	28%	0.277	C	S	.	.			trans	-118.1	152.9	-176.7	70.5	175.5	0	0	0	111.3	F365 S371 E377 F378 R414 L417	F365-I373 HydrophobicContact CD2-CG2 4.07Å; F365-I373 HydrophobicContact CE2-CD1 3.64Å; F365-I373 HydrophobicContact CE2-CG2 3.73Å; F365-I373 HydrophobicContact CZ-CD1 3.77Å; F365-I373 HydrophobicContact CZ-CG2 4.13Å; S371-I373 PolarHBondContact O-N 2.88Å; I373-E377 HydrophobicContact CB-CB 3.94Å; I373-E377 HydrophobicContact CG2-CB 4.49Å; I373-F378 HydrophobicContact CD1-CB 4.06Å; I373-F378 HydrophobicContact CD1-CD2 4.43Å; I373-R414 HydrophobicContact CG1-CB 4.37Å; I373-L417 HydrophobicContact CD1-CD2 4.44Å
374	T	95.5	Very high	97.1	Very high	78 Å²	78	54.6 Å²	54.6	48%	0.479	28%	0.278	S	S	.	.			trans	-82.2	164.2	171.8	62.6	0	0	0	0	111.6	K376 E377 F378	T374-K376 PolarHBondContact O-N 2.92Å; T374-E377 WeakPolarHBondContact CB-OE2 3.25Å; T374-E377 WeakPolarHBondContact CG2-OE2 3.35Å; T374-E377 PolarHBondContact N-OE2 2.77Å; T374-E377 PolarHBondContact O-N 2.75Å; T374-E377 VanDerWaalsContact O-N 3.15Å; T374-E377 PolarHBondContact OG1-N 3.17Å; T374-E377 PolarHBondContact OG1-OE2 3.32Å; T374-F378 PolarHBondContact O-N 2.96Å
375	R	94.5	Very high	97.1	Very high	83 Å²	83	54 Å²	54	31%	0.313	27%	0.266	S	S	.	.	H	α-helix	trans	-52.2	-38	169.4	-176.3	-179.1	-179.7	104.8	-4	112.8	F378 Q379 L398 Y413	R375-F378 WeakPolarHBondContact O-CB 3.23Å; R375-F378 PolarHBondContact O-N 3.25Å; R375-Q379 WeakPolarHBondContact O-CG 3.29Å; R375-Q379 PolarHBondContact O-N 3.41Å; R375-L398 VanDerWaalsContact NH2-CD2 3.3Å; R375-Y413 HydrophobicContact CB-CE1 3.88Å; R375-Y413 HydrophobicContact CB-CE2 4.04Å; R375-Y413 HydrophobicContact CG-CE1 3.85Å; R375-Y413 PolarHBondContact NH1-OH 2.94Å
376	K	96.1	Very high	96.9	Very high	149 Å²	149	53.3 Å²	53.3	65%	0.648	26%	0.263	S	S	*	.	H	α-helix	trans	-66.2	-46.8	179.1	-174.9	-178.6	177.5	-175.2	0	111	T374 F378 Q379 E380	T374-K376 PolarHBondContact O-N 2.92Å; K376-F378 VanDerWaalsContact C-N 3.28Å; K376-F378 PolarHBondContact O-N 3.48Å; K376-Q379 PolarHBondContact O-N 3.1Å; K376-E380 WeakPolarHBondContact O-CG 3.46Å; K376-E380 PolarHBondContact O-N 2.71Å
377	E	97.8	Very high	96.6	Very high	61 Å²	61	53.8 Å²	53.8	29%	0.285	27%	0.266	S	S	.	.	H	α-helix	trans	-63.5	-35.1	176.3	-73.7	160	139.6	0	0	111.8	I373 T374 E380 G381	I373-E377 HydrophobicContact CB-CB 3.94Å; I373-E377 HydrophobicContact CG2-CB 4.49Å; T374-E377 WeakPolarHBondContact CB-OE2 3.25Å; T374-E377 WeakPolarHBondContact CG2-OE2 3.35Å; T374-E377 PolarHBondContact N-OE2 2.77Å; T374-E377 PolarHBondContact O-N 2.75Å; T374-E377 VanDerWaalsContact O-N 3.15Å; T374-E377 PolarHBondContact OG1-N 3.17Å; T374-E377 PolarHBondContact OG1-OE2 3.32Å; E377-E380 PolarHBondContact O-N 2.78Å; E377-G381 PolarHBondContact O-N 3.31Å
378	F	97.3	Very high	96.1	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-60.2	-48.8	170.8	179.6	-85.1	0	0	0	112.3	I373 T374 R375 K376 E380 G381 L382 L398 Y413 A416 L417 V420	I373-F378 HydrophobicContact CD1-CB 4.06Å; I373-F378 HydrophobicContact CD1-CD2 4.43Å; T374-F378 PolarHBondContact O-N 2.96Å; R375-F378 WeakPolarHBondContact O-CB 3.23Å; R375-F378 PolarHBondContact O-N 3.25Å; K376-F378 VanDerWaalsContact C-N 3.28Å; K376-F378 PolarHBondContact O-N 3.48Å; F378-E380 VanDerWaalsContact C-N 3.34Å; F378-E380 PolarHBondContact O-N 3.4Å; F378-G381 CarbonylContact O-C 3.47Å; F378-G381 WeakPolarHBondContact O-CA 3.33Å; F378-G381 PolarHBondContact O-N 3.08Å; F378-G381 VanDerWaalsContact O-N 3.13Å; F378-L382 HydrophobicContact CD1-CD1 4.16Å; F378-L382 HydrophobicContact CD1-CG 4.2Å; F378-L382 HydrophobicContact CE1-CD1 3.61Å; F378-L382 HydrophobicContact CE1-CD2 4.19Å; F378-L382 HydrophobicContact CE1-CG 3.83Å; F378-L382 HydrophobicContact CZ-CD1 4.45Å; F378-L382 HydrophobicContact CZ-CD2 4.3Å; F378-L382 HydrophobicContact CZ-CG 4.42Å; F378-L382 PolarHBondContact O-N 3.06Å; F378-L398 HydrophobicContact CD1-CD1 3.35Å; F378-L398 HydrophobicContact CE1-CB 4.22Å; F378-L398 HydrophobicContact CE1-CD1 3.34Å; F378-L398 HydrophobicContact CE1-CG 4.36Å; F378-L398 HydrophobicContact CG-CD1 4.48Å; F378-L398 HydrophobicContact CZ-CD1 4.46Å; F378-Y413 HydrophobicContact CB-CD1 3.75Å; F378-Y413 HydrophobicContact CB-CG 4.26Å; F378-Y413 HydrophobicContact CD1-CD1 4.33Å; F378-Y413 AromaticContact CD2-CD1 3.96Å; F378-Y413 HydrophobicContact CD2-CD1 3.96Å; F378-Y413 VanDerWaalsContact CD2-O 3.28Å; F378-Y413 WeakPolarHBondContact CD2-O 3.38Å; F378-Y413 AromaticContact CG-CD1 3.75Å; F378-Y413 HydrophobicContact CG-CD1 3.75Å; F378-A416 HydrophobicContact CD2-CB 4.49Å; F378-A416 HydrophobicContact CE2-CB 3.71Å; F378-A416 HydrophobicContact CZ-CB 4.41Å; F378-L417 HydrophobicContact CD2-CB 3.78Å; F378-L417 HydrophobicContact CD2-CD1 4.19Å; F378-L417 HydrophobicContact CD2-CG 4.47Å; F378-L417 HydrophobicContact CE2-CB 3.79Å; F378-L417 HydrophobicContact CE2-CD1 4.04Å; F378-L417 HydrophobicContact CZ-CD1 4.5Å; F378-V420 HydrophobicContact CZ-CG2 4.32Å
379	Q	96.9	Very high	95.8	Very high	58 Å²	58	49.7 Å²	49.7	27%	0.271	26%	0.261	S	S	.	.	H	α-helix	trans	-63.8	-38.5	178.1	-71.9	175.1	-49.1	0	0	112.1	R375 K376 G381 L382 K383 L398	R375-Q379 WeakPolarHBondContact O-CG 3.29Å; R375-Q379 PolarHBondContact O-N 3.41Å; K376-Q379 PolarHBondContact O-N 3.1Å; Q379-G381 VanDerWaalsContact C-N 3.35Å; Q379-L382 WeakPolarHBondContact O-CB 3.33Å; Q379-L382 PolarHBondContact O-N 3.16Å; Q379-K383 PolarHBondContact O-N 3.44Å; Q379-K383 VanDerWaalsContact O-N 3.15Å; Q379-L398 HydrophobicContact CG-CD1 4.17Å; Q379-L398 HydrophobicContact CG-CD2 4.31Å
380	E	97.7	Very high	95.6	Very high	72 Å²	72	47.8 Å²	47.8	34%	0.336	25%	0.253	S	S	.	.	H	α-helix	trans	-66.2	-37.7	172	-66.2	-54.8	135.9	0	0	111.5	P363 K376 E377 F378 L382 K383 I384	P363-E380 HydrophobicContact CG-CB 3.71Å; K376-E380 WeakPolarHBondContact O-CG 3.46Å; K376-E380 PolarHBondContact O-N 2.71Å; E377-E380 PolarHBondContact O-N 2.78Å; F378-E380 VanDerWaalsContact C-N 3.34Å; F378-E380 PolarHBondContact O-N 3.4Å; E380-L382 VanDerWaalsContact C-N 3.33Å; E380-L382 PolarHBondContact O-N 3.28Å; E380-K383 WeakPolarHBondContact O-CB 3.04Å; E380-K383 PolarHBondContact O-N 3.32Å; E380-K383 IonicContact OE1-NZ 3.57Å; E380-K383 PolarHBondContact OE1-NZ 3Å; E380-K383 WeakPolarHBondContact OE2-CD 3.41Å; E380-K383 IonicContact OE2-NZ 3.54Å; E380-I384 PolarHBondContact O-N 2.91Å
381	G	97.7	Very high	95.4	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-57.7	-42.9	170.3	0	0	0	0	0	112.4	E377 F378 Q379 K383 I384 F385	E377-G381 PolarHBondContact O-N 3.31Å; F378-G381 CarbonylContact O-C 3.47Å; F378-G381 WeakPolarHBondContact O-CA 3.33Å; F378-G381 PolarHBondContact O-N 3.08Å; F378-G381 VanDerWaalsContact O-N 3.13Å; Q379-G381 VanDerWaalsContact C-N 3.35Å; G381-K383 VanDerWaalsContact C-N 3.27Å; G381-K383 PolarHBondContact O-N 3.18Å; G381-I384 WeakPolarHBondContact O-CB 3.39Å; G381-I384 PolarHBondContact O-N 2.93Å; G381-I384 VanDerWaalsContact O-N 3.12Å; G381-F385 WeakPolarHBondContact O-CD2 3.49Å; G381-F385 PolarHBondContact O-N 3.18Å; G381-F385 VanDerWaalsContact O-N 3.07Å
382	L	97.8	Very high	95.2	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.01	28%	0.28	C	S	.	.	H	α-helix	trans	-60.3	-36.4	172.7	-67.8	-175.4	0	0	0	112.2	F378 Q379 E380 I384 F385 F386 K394 I397 L398 L417 V420	F378-L382 HydrophobicContact CD1-CD1 4.16Å; F378-L382 HydrophobicContact CD1-CG 4.2Å; F378-L382 HydrophobicContact CE1-CD1 3.61Å; F378-L382 HydrophobicContact CE1-CD2 4.19Å; F378-L382 HydrophobicContact CE1-CG 3.83Å; F378-L382 HydrophobicContact CZ-CD1 4.45Å; F378-L382 HydrophobicContact CZ-CD2 4.3Å; F378-L382 HydrophobicContact CZ-CG 4.42Å; F378-L382 PolarHBondContact O-N 3.06Å; Q379-L382 WeakPolarHBondContact O-CB 3.33Å; Q379-L382 PolarHBondContact O-N 3.16Å; E380-L382 VanDerWaalsContact C-N 3.33Å; E380-L382 PolarHBondContact O-N 3.28Å; L382-I384 VanDerWaalsContact C-N 3.33Å; L382-F385 PolarHBondContact O-N 2.97Å; L382-F386 HydrophobicContact CD2-CD2 4.2Å; L382-F386 HydrophobicContact CD2-CE2 4.18Å; L382-F386 WeakPolarHBondContact O-CA 3.42Å; L382-F386 VanDerWaalsContact O-CB 3.28Å; L382-F386 WeakPolarHBondContact O-CB 3.17Å; L382-F386 PolarHBondContact O-N 3.49Å; L382-K394 HydrophobicContact CD1-CB 4.43Å; L382-K394 WeakPolarHBondContact CD1-O 3.16Å; L382-I397 HydrophobicContact CD1-CB 4.26Å; L382-I397 HydrophobicContact CD1-CG2 4.27Å; L382-I397 HydrophobicContact CD2-CB 4.44Å; L382-I397 HydrophobicContact CD2-CG2 3.74Å; L382-L398 HydrophobicContact CD1-CB 4.25Å; L382-L417 HydrophobicContact CD2-CD1 3.95Å; L382-V420 HydrophobicContact CD2-CG1 3.97Å
383	K	96.2	Very high	95.1	Very high	78 Å²	78	51.6 Å²	51.6	34%	0.339	27%	0.265	S	S	.	.	H	α-helix	trans	-67.4	-33.5	175.3	-65.4	172.5	-172.4	169.9	0	112.6	Q379 E380 G381 P387 K394	Q379-K383 PolarHBondContact O-N 3.44Å; Q379-K383 VanDerWaalsContact O-N 3.15Å; E380-K383 WeakPolarHBondContact O-CB 3.04Å; E380-K383 PolarHBondContact O-N 3.32Å; E380-K383 IonicContact OE1-NZ 3.57Å; E380-K383 PolarHBondContact OE1-NZ 3Å; E380-K383 WeakPolarHBondContact OE2-CD 3.41Å; E380-K383 IonicContact OE2-NZ 3.54Å; G381-K383 VanDerWaalsContact C-N 3.27Å; G381-K383 PolarHBondContact O-N 3.18Å; K383-P387 VanDerWaalsContact O-CA 3.31Å; K383-P387 WeakPolarHBondContact O-CA 3.18Å; K383-K394 HydrophobicContact CG-CD 4.15Å
384	I	95.8	Very high	95	Very high	65 Å²	65	52.3 Å²	52.3	33%	0.333	27%	0.267	S	S	.	.	H	α-helix	trans	-67	-46.2	175	-63.8	-62.2	0	0	0	111.3	T312 E380 G381 L382	T312-I384 VanDerWaalsContact CG2-O 3.25Å; T312-I384 WeakPolarHBondContact CG2-O 3.05Å; E380-I384 PolarHBondContact O-N 2.91Å; G381-I384 WeakPolarHBondContact O-CB 3.39Å; G381-I384 PolarHBondContact O-N 2.93Å; G381-I384 VanDerWaalsContact O-N 3.12Å; L382-I384 VanDerWaalsContact C-N 3.33Å
385	F	96.4	Very high	95	Very high	18 Å²	18	52.8 Å²	52.8	8%	0.079	26%	0.264	C	S	.	.	H	α-helix	trans	-84.8	-22.2	-176.5	-72.6	-75	0	0	0	114.1	P313 L314 F357 L358 A362 G381 L382 V421	P313-F385 HydrophobicContact CB-CE1 4.25Å; P313-F385 HydrophobicContact CG-CE1 4Å; P313-F385 HydrophobicContact CG-CZ 4.11Å; L314-F385 HydrophobicContact CD1-CD1 4.44Å; L314-F385 HydrophobicContact CD1-CE1 4.32Å; F357-F385 HydrophobicContact CB-CE1 4.09Å; F357-F385 HydrophobicContact CB-CZ 4.21Å; L358-F385 HydrophobicContact CD2-CE2 3.55Å; L358-F385 HydrophobicContact CD2-CZ 3.79Å; A362-F385 HydrophobicContact CB-CE2 4.1Å; G381-F385 WeakPolarHBondContact O-CD2 3.49Å; G381-F385 PolarHBondContact O-N 3.18Å; G381-F385 VanDerWaalsContact O-N 3.07Å; L382-F385 PolarHBondContact O-N 2.97Å; F385-V421 HydrophobicContact CB-CG2 4.47Å; F385-V421 HydrophobicContact CD1-CG1 4.39Å; F385-V421 HydrophobicContact CD1-CG2 3.95Å; F385-V421 HydrophobicContact CD2-CG2 3.71Å; F385-V421 HydrophobicContact CE1-CG1 4.17Å; F385-V421 HydrophobicContact CE1-CG2 4.08Å; F385-V421 HydrophobicContact CE2-CG2 3.85Å; F385-V421 HydrophobicContact CG-CG2 3.78Å; F385-V421 HydrophobicContact CZ-CG2 4.04Å
386	F	95.6	Very high	95.1	Very high	7 Å²	7	49.5 Å²	49.5	3%	0.031	25%	0.254	C	S	.	.			trans	-128.1	57.1	-179.1	-57.6	-87.1	0	0	0	112	L382 G388 V389 K394 I397 V420 Y424 W550 F554	L382-F386 HydrophobicContact CD2-CD2 4.2Å; L382-F386 HydrophobicContact CD2-CE2 4.18Å; L382-F386 WeakPolarHBondContact O-CA 3.42Å; L382-F386 VanDerWaalsContact O-CB 3.28Å; L382-F386 WeakPolarHBondContact O-CB 3.17Å; L382-F386 PolarHBondContact O-N 3.49Å; F386-G388 VanDerWaalsContact C-N 3.33Å; F386-G388 PolarHBondContact O-N 3.01Å; F386-V389 HydrophobicContact CB-CB 3.91Å; F386-V389 HydrophobicContact CB-CG2 3.7Å; F386-V389 HydrophobicContact CD1-CG2 4.07Å; F386-V389 HydrophobicContact CG-CG2 4.36Å; F386-V389 PolarHBondContact O-N 3.32Å; F386-K394 WeakPolarHBondContact O-CE 3.29Å; F386-I397 HydrophobicContact CD1-CD1 4.21Å; F386-I397 HydrophobicContact CD2-CD1 4.01Å; F386-I397 HydrophobicContact CE1-CD1 4.2Å; F386-I397 HydrophobicContact CE2-CD1 4.02Å; F386-I397 HydrophobicContact CG-CD1 4.11Å; F386-I397 HydrophobicContact CZ-CD1 4.11Å; F386-V420 HydrophobicContact CE2-CG1 3.65Å; F386-V420 HydrophobicContact CZ-CG1 4Å; F386-Y424 HydrophobicContact CD1-CE1 4.39Å; F386-Y424 AromaticContact CE1-CD1 3.54Å; F386-Y424 HydrophobicContact CE1-CD1 3.54Å; F386-Y424 HydrophobicContact CE1-CD2 4.47Å; F386-Y424 AromaticContact CE1-CE1 3.56Å; F386-Y424 HydrophobicContact CE1-CE1 3.56Å; F386-Y424 HydrophobicContact CE1-CE2 4.49Å; F386-Y424 HydrophobicContact CE1-CG 4.02Å; F386-Y424 AromaticContact CZ-CD1 3.79Å; F386-Y424 HydrophobicContact CZ-CD1 3.79Å; F386-Y424 HydrophobicContact CZ-CE1 4.27Å; F386-Y424 HydrophobicContact CZ-CG 4.1Å; F386-W550 HydrophobicContact CE1-CH2 4.02Å; F386-W550 HydrophobicContact CE1-CZ3 4.08Å; F386-W550 HydrophobicContact CE2-CH2 4.47Å; F386-W550 AromaticContact CZ-CH2 3.64Å; F386-W550 HydrophobicContact CZ-CH2 3.64Å; F386-W550 HydrophobicContact CZ-CZ2 4.5Å; F386-W550 HydrophobicContact CZ-CZ3 4.17Å; F386-F554 HydrophobicContact CD1-CZ 4.22Å; F386-F554 HydrophobicContact CE1-CZ 4.34Å
387	P	91.5	Very high	95.2	Very high	47 Å²	47	42.4 Å²	42.4	31%	0.305	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-34	-172.1	25	-34.4	0	0	0	113.4	Y310 T312 K383	Y310-P387 HydrophobicContact CD2-CB 3.54Å; Y310-P387 HydrophobicContact CD2-CG 3.38Å; Y310-P387 HydrophobicContact CE2-CB 3.86Å; Y310-P387 HydrophobicContact CE2-CG 3.68Å; Y310-P387 HydrophobicContact CG-CB 4.06Å; Y310-P387 HydrophobicContact CG-CG 4.3Å; T312-P387 HydrophobicContact CG2-CG 4.1Å; K383-P387 VanDerWaalsContact O-CA 3.31Å; K383-P387 WeakPolarHBondContact O-CA 3.18Å
388	G	87.2	Confident	95.1	Very high	61 Å²	61	39.5 Å²	39.5	63%	0.629	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.7	1.6	178.5	0	0	0	0	0	115.2	F386	F386-G388 VanDerWaalsContact C-N 3.33Å; F386-G388 PolarHBondContact O-N 3.01Å
389	V	91.3	Very high	95.1	Very high	18 Å²	18	46.2 Å²	46.2	11%	0.109	24%	0.239	C	C	.	.	S	Bend	trans	-90.8	139	-176.7	179.4	0	0	0	0	110.4	F386 K394 F554 L558	F386-V389 HydrophobicContact CB-CB 3.91Å; F386-V389 HydrophobicContact CB-CG2 3.7Å; F386-V389 HydrophobicContact CD1-CG2 4.07Å; F386-V389 HydrophobicContact CG-CG2 4.36Å; F386-V389 PolarHBondContact O-N 3.32Å; V389-K394 HydrophobicContact CB-CG 4.48Å; V389-K394 HydrophobicContact CG1-CG 4.34Å; V389-K394 WeakPolarHBondContact O-CE 3.31Å; V389-K394 PolarHBondContact O-NZ 3.27Å; V389-F554 HydrophobicContact CG1-CE2 4.24Å; V389-F554 HydrophobicContact CG1-CZ 4Å; V389-F554 HydrophobicContact CG2-CZ 4.1Å; V389-L558 HydrophobicContact CG1-CD2 4.06Å; V389-L558 HydrophobicContact CG2-CD2 3.96Å
390	S	92.3	Very high	95	Very high	36 Å²	36	45.8 Å²	45.8	25%	0.252	24%	0.237	S	C	.	.			trans	-59.1	156	176.4	68.2	0	0	0	0	111.9	F392 G393 K394 T561	S390-F392 PolarHBondContact O-N 2.76Å; S390-G393 WeakPolarHBondContact O-CA 3.2Å; S390-G393 PolarHBondContact O-N 3.17Å; S390-G393 PolarHBondContact OG-N 3.17Å; S390-K394 PolarHBondContact O-N 2.88Å; S390-T561 WeakPolarHBondContact OG-CB 3.45Å; S390-T561 PolarHBondContact OG-OG1 3Å
391	E	93.2	Very high	95	Very high	116 Å²	116	43.4 Å²	43.4	54%	0.542	23%	0.225	S	C	.	.	H	α-helix	trans	-60.6	-35.4	177.8	-67	-58.3	117	0	0	111.9	G393 K394 E395	E391-G393 VanDerWaalsContact C-N 3.34Å; E391-G393 PolarHBondContact O-N 3.45Å; E391-K394 PolarHBondContact O-N 3.24Å; E391-K394 IonicContact OE1-NZ 2.7Å; E391-K394 PolarHBondContact OE1-NZ 3.36Å; E391-E395 WeakPolarHBondContact O-CB 3.37Å; E391-E395 PolarHBondContact O-N 3.29Å
392	F	93.9	Very high	94.5	Very high	129 Å²	129	43.9 Å²	43.9	57%	0.566	23%	0.228	S	C	*	.	H	α-helix	trans	-62.3	-41	172.7	178.5	-102.8	0	0	0	112.2	S390 E395 S396 V557 T561	S390-F392 PolarHBondContact O-N 2.76Å; F392-E395 PolarHBondContact O-N 2.73Å; F392-S396 WeakPolarHBondContact O-CB 3.37Å; F392-S396 PolarHBondContact O-N 3.42Å; F392-V557 HydrophobicContact CD1-CG1 3.68Å; F392-V557 HydrophobicContact CE1-CG1 3.94Å; F392-V557 HydrophobicContact CE1-CG2 4.2Å; F392-T561 HydrophobicContact CD1-CG2 4.13Å
393	G	94.9	Very high	93.5	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-59.4	-47.7	173.6	0	0	0	0	0	112.3	S390 E391 S396 I397	S390-G393 WeakPolarHBondContact O-CA 3.2Å; S390-G393 PolarHBondContact O-N 3.17Å; S390-G393 PolarHBondContact OG-N 3.17Å; E391-G393 VanDerWaalsContact C-N 3.34Å; E391-G393 PolarHBondContact O-N 3.45Å; G393-S396 PolarHBondContact O-N 2.96Å; G393-S396 PolarHBondContact O-OG 2.85Å; G393-I397 WeakPolarHBondContact O-CG1 3.27Å; G393-I397 PolarHBondContact O-N 2.68Å; G393-I397 VanDerWaalsContact O-N 3.16Å
394	K	95.8	Very high	92.6	Very high	20 Å²	20	49.8 Å²	49.8	9%	0.087	25%	0.254	C	S	.	.	H	α-helix	trans	-63.2	-41.9	177.1	-65.8	170.3	-174.3	138	0	112.4	L382 K383 F386 V389 S390 E391 S396 I397 L398	L382-K394 HydrophobicContact CD1-CB 4.43Å; L382-K394 WeakPolarHBondContact CD1-O 3.16Å; K383-K394 HydrophobicContact CG-CD 4.15Å; F386-K394 WeakPolarHBondContact O-CE 3.29Å; V389-K394 HydrophobicContact CB-CG 4.48Å; V389-K394 HydrophobicContact CG1-CG 4.34Å; V389-K394 WeakPolarHBondContact O-CE 3.31Å; V389-K394 PolarHBondContact O-NZ 3.27Å; S390-K394 PolarHBondContact O-N 2.88Å; E391-K394 PolarHBondContact O-N 3.24Å; E391-K394 IonicContact OE1-NZ 2.7Å; E391-K394 PolarHBondContact OE1-NZ 3.36Å; K394-S396 VanDerWaalsContact C-N 3.27Å; K394-S396 PolarHBondContact O-N 3.36Å; K394-I397 WeakPolarHBondContact O-CB 3.47Å; K394-I397 PolarHBondContact O-N 3.37Å; K394-I397 VanDerWaalsContact O-N 3.15Å; K394-L398 PolarHBondContact O-N 2.84Å
395	E	95.8	Very high	91.4	Very high	88 Å²	88	53.4 Å²	53.4	41%	0.411	28%	0.279	S	S	.	.	H	α-helix	trans	-65.8	-32.7	177.9	-153.3	66.9	-169.4	0	0	111.5	E391 F392 L398 F399	E391-E395 WeakPolarHBondContact O-CB 3.37Å; E391-E395 PolarHBondContact O-N 3.29Å; F392-E395 PolarHBondContact O-N 2.73Å; E395-L398 PolarHBondContact O-N 3.06Å; E395-L398 WeakPolarHBondContact OE1-CD2 3.43Å; E395-F399 WeakPolarHBondContact O-CB 3.38Å; E395-F399 PolarHBondContact O-N 3.15Å
396	S	97	Very high	90.3	Very high	14 Å²	14	56.1 Å²	56.1	10%	0.098	29%	0.294	C	S	.	.	H	α-helix	trans	-67.2	-35.4	173.5	82.8	0	0	0	0	113.1	F392 G393 K394 H400	F392-S396 WeakPolarHBondContact O-CB 3.37Å; F392-S396 PolarHBondContact O-N 3.42Å; G393-S396 PolarHBondContact O-N 2.96Å; G393-S396 PolarHBondContact O-OG 2.85Å; K394-S396 VanDerWaalsContact C-N 3.27Å; K394-S396 PolarHBondContact O-N 3.36Å; S396-H400 WeakPolarHBondContact O-CB 3.46Å; S396-H400 PolarHBondContact O-N 3.05Å
397	I	97.7	Very high	89	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-66.4	-51.3	173.9	-61.9	165.7	0	0	0	109.4	L382 F386 G393 K394 F399 H400 Y401 V420 F549 W550 F554	L382-I397 HydrophobicContact CD1-CB 4.26Å; L382-I397 HydrophobicContact CD1-CG2 4.27Å; L382-I397 HydrophobicContact CD2-CB 4.44Å; L382-I397 HydrophobicContact CD2-CG2 3.74Å; F386-I397 HydrophobicContact CD1-CD1 4.21Å; F386-I397 HydrophobicContact CD2-CD1 4.01Å; F386-I397 HydrophobicContact CE1-CD1 4.2Å; F386-I397 HydrophobicContact CE2-CD1 4.02Å; F386-I397 HydrophobicContact CG-CD1 4.11Å; F386-I397 HydrophobicContact CZ-CD1 4.11Å; G393-I397 WeakPolarHBondContact O-CG1 3.27Å; G393-I397 PolarHBondContact O-N 2.68Å; G393-I397 VanDerWaalsContact O-N 3.16Å; K394-I397 WeakPolarHBondContact O-CB 3.47Å; K394-I397 PolarHBondContact O-N 3.37Å; K394-I397 VanDerWaalsContact O-N 3.15Å; I397-F399 VanDerWaalsContact C-N 3.32Å; I397-F399 PolarHBondContact O-N 3.31Å; I397-H400 PolarHBondContact O-N 2.91Å; I397-H400 VanDerWaalsContact O-N 3.15Å; I397-Y401 HydrophobicContact CG2-CD2 4.24Å; I397-Y401 PolarHBondContact O-N 3.5Å; I397-Y401 VanDerWaalsContact O-N 3.13Å; I397-V420 HydrophobicContact CG2-CB 4.49Å; I397-V420 HydrophobicContact CG2-CG1 3.85Å; I397-V420 HydrophobicContact CG2-CG2 3.7Å; I397-F549 HydrophobicContact CB-CZ 4.43Å; I397-F549 HydrophobicContact CG1-CE1 4.06Å; I397-F549 HydrophobicContact CG1-CZ 3.91Å; I397-W550 HydrophobicContact CB-CH2 4.47Å; I397-W550 HydrophobicContact CD1-CH2 3.72Å; I397-W550 HydrophobicContact CD1-CZ3 4.12Å; I397-W550 HydrophobicContact CG1-CH2 3.64Å; I397-W550 HydrophobicContact CG1-CZ3 4.09Å; I397-W550 HydrophobicContact CG2-CH2 4.02Å; I397-W550 HydrophobicContact CG2-CZ2 4.24Å; I397-F554 HydrophobicContact CD1-CD2 4.45Å; I397-F554 HydrophobicContact CD1-CE2 3.58Å; I397-F554 HydrophobicContact CD1-CZ 3.92Å; I397-F554 HydrophobicContact CG1-CD2 4.16Å; I397-F554 HydrophobicContact CG1-CE2 3.73Å
398	L	96.2	Very high	88.2	Confident	1 Å²	1	65.6 Å²	65.6	1%	0.005	34%	0.337	C	S	.	.	H	α-helix	trans	-50.8	-54.3	176.5	178	78.1	0	0	0	110.4	R375 F378 Q379 L382 K394 E395 H400 Y401 T402 Y413	R375-L398 VanDerWaalsContact NH2-CD2 3.3Å; F378-L398 HydrophobicContact CD1-CD1 3.35Å; F378-L398 HydrophobicContact CE1-CB 4.22Å; F378-L398 HydrophobicContact CE1-CD1 3.34Å; F378-L398 HydrophobicContact CE1-CG 4.36Å; F378-L398 HydrophobicContact CG-CD1 4.48Å; F378-L398 HydrophobicContact CZ-CD1 4.46Å; Q379-L398 HydrophobicContact CG-CD1 4.17Å; Q379-L398 HydrophobicContact CG-CD2 4.31Å; L382-L398 HydrophobicContact CD1-CB 4.25Å; K394-L398 PolarHBondContact O-N 2.84Å; E395-L398 PolarHBondContact O-N 3.06Å; E395-L398 WeakPolarHBondContact OE1-CD2 3.43Å; L398-H400 VanDerWaalsContact C-N 3.27Å; L398-H400 PolarHBondContact O-N 2.79Å; L398-Y401 PolarHBondContact O-N 3.13Å; L398-T402 HydrophobicContact CD1-CG2 3.82Å; L398-T402 HydrophobicContact CG-CG2 4.16Å; L398-T402 VanDerWaalsContact O-CG2 3.31Å; L398-T402 WeakPolarHBondContact O-CG2 3.12Å; L398-T402 PolarHBondContact O-N 3.13Å; L398-T402 PolarHBondContact O-OG1 3.47Å; L398-Y413 HydrophobicContact CD1-CE1 4.48Å
399	F	95.5	Very high	88.3	Confident	140 Å²	140	67.1 Å²	67.1	61%	0.614	32%	0.324	S	S	*	.	H	α-helix	trans	-57.8	-37.6	-178.3	178.5	-95.8	0	0	0	113.5	E395 I397 W404	E395-F399 WeakPolarHBondContact O-CB 3.38Å; E395-F399 PolarHBondContact O-N 3.15Å; I397-F399 VanDerWaalsContact C-N 3.32Å; I397-F399 PolarHBondContact O-N 3.31Å; F399-W404 HydrophobicContact CD2-CZ2 4.06Å; F399-W404 AromaticContact CD2-NE1 3.96Å; F399-W404 PolarHBondContact O-NE1 3.09Å
400	H	96.6	Very high	88.1	Confident	50 Å²	50	70.1 Å²	70.1	23%	0.231	34%	0.343	C	S	.	.	H	α-helix	trans	-75.1	-30.1	-177.7	-165.5	77.9	0	0	0	113.5	S396 I397 L398 F549	S396-H400 WeakPolarHBondContact O-CB 3.46Å; S396-H400 PolarHBondContact O-N 3.05Å; I397-H400 PolarHBondContact O-N 2.91Å; I397-H400 VanDerWaalsContact O-N 3.15Å; L398-H400 VanDerWaalsContact C-N 3.27Å; L398-H400 PolarHBondContact O-N 2.79Å; H400-F549 HydrophobicContact CB-CD2 4.01Å; H400-F549 HydrophobicContact CB-CE2 4.07Å; H400-F549 HydrophobicContact CB-CG 4.33Å; H400-F549 HydrophobicContact CB-CZ 4.46Å; H400-F549 AromaticContact CD2-CG 3.88Å; H400-F549 AromaticContact CG-CD2 3.8Å; H400-F549 AromaticContact CG-CG 3.82Å; H400-F549 AromaticContact ND1-CD2 3.86Å
401	Y	95.8	Very high	88.2	Confident	21 Å²	21	70.6 Å²	70.6	8%	0.082	34%	0.342	C	S	.	.	H	α-helix	trans	-105.6	-10.2	-172.2	-83.5	-91.5	0	0	0	114.7	I397 L398 A416 D419 V420 D423 Q546 F549 W550	I397-Y401 HydrophobicContact CG2-CD2 4.24Å; I397-Y401 PolarHBondContact O-N 3.5Å; I397-Y401 VanDerWaalsContact O-N 3.13Å; L398-Y401 PolarHBondContact O-N 3.13Å; Y401-A416 WeakPolarHBondContact O-CB 3.49Å; Y401-D419 HydrophobicContact CD1-CB 4.19Å; Y401-D419 HydrophobicContact CE1-CB 3.92Å; Y401-V420 HydrophobicContact CD1-CG2 3.62Å; Y401-V420 HydrophobicContact CD2-CG2 3.5Å; Y401-V420 HydrophobicContact CE1-CG2 4.01Å; Y401-V420 HydrophobicContact CE2-CG2 3.9Å; Y401-V420 HydrophobicContact CG-CG2 3.35Å; Y401-D423 WeakPolarHBondContact CE1-OD2 3.37Å; Y401-D423 VanDerWaalsContact OH-CB 3.23Å; Y401-D423 WeakPolarHBondContact OH-CB 3.34Å; Y401-D423 PolarHBondContact OH-OD2 3.44Å; Y401-Q546 HydrophobicContact CE1-CG 4.01Å; Y401-Q546 WeakPolarHBondContact OH-CB 3.49Å; Y401-F549 HydrophobicContact CE2-CD1 4.48Å; Y401-W550 AromaticContact CE2-CE2 3.97Å; Y401-W550 AromaticContact CE2-CZ2 3.83Å; Y401-W550 HydrophobicContact CE2-CZ2 3.83Å; Y401-W550 AromaticContact CE2-NE1 3.69Å; Y401-W550 AromaticContact CZ-NE1 3.61Å; Y401-W550 PolarHBondContact OH-NE1 2.75Å
402	T	88.6	Confident	88.1	Confident	10 Å²	10	65.9 Å²	65.9	6%	0.061	32%	0.32	C	S	.	.	S	Bend	trans	-79.4	121.2	171.5	47.8	0	0	0	0	110.7	L398 W404 Y413	L398-T402 HydrophobicContact CD1-CG2 3.82Å; L398-T402 HydrophobicContact CG-CG2 4.16Å; L398-T402 VanDerWaalsContact O-CG2 3.31Å; L398-T402 WeakPolarHBondContact O-CG2 3.12Å; L398-T402 PolarHBondContact O-N 3.13Å; L398-T402 PolarHBondContact O-OG1 3.47Å; T402-W404 VanDerWaalsContact O-CD1 3.25Å; T402-W404 PolarHBondContact O-N 3.07Å; T402-W404 VanDerWaalsContact O-N 3.11Å; T402-W404 PolarHBondContact O-NE1 3.04Å; T402-W404 WeakPolarHBondContact OG1-CZ2 3.32Å; T402-W404 PolarHBondContact OG1-NE1 3.24Å; T402-Y413 HydrophobicContact CG2-CD1 4.39Å; T402-Y413 HydrophobicContact CG2-CE1 3.64Å
403	D	76.8	Confident	88.2	Confident	78 Å²	78	60.9 Å²	60.9	42%	0.417	30%	0.298	S	S	.	.			trans	-75.7	97.1	171.4	-169.6	-8.7	0	0	0	110.3	V405 D407	D403-V405 PolarHBondContact O-N 3.47Å; D403-V405 VanDerWaalsContact OD1-CB 3.28Å; D403-V405 WeakPolarHBondContact OD1-CB 3.14Å; D403-V405 PolarHBondContact OD1-N 3.25Å; D403-D407 PolarHBondContact O-N 3.2Å
404	W	76.9	Confident	88.3	Confident	127 Å²	127	62.3 Å²	62.3	48%	0.481	30%	0.303	S	S	.	.	S	Bend	trans	-71.3	-9.7	178.4	-55.5	107	0	0	0	113.6	F399 T402	F399-W404 HydrophobicContact CD2-CZ2 4.06Å; F399-W404 AromaticContact CD2-NE1 3.96Å; F399-W404 PolarHBondContact O-NE1 3.09Å; T402-W404 VanDerWaalsContact O-CD1 3.25Å; T402-W404 PolarHBondContact O-N 3.07Å; T402-W404 VanDerWaalsContact O-N 3.11Å; T402-W404 PolarHBondContact O-NE1 3.04Å; T402-W404 WeakPolarHBondContact OG1-CZ2 3.32Å; T402-W404 PolarHBondContact OG1-NE1 3.24Å
405	V	70.8	Confident	88.3	Confident	140 Å²	140	65.1 Å²	65.1	85%	0.848	32%	0.316	S	S	*	.	S	Bend	trans	-81.9	-35	-178	-177.8	0	0	0	0	111.4	D403	D403-V405 PolarHBondContact O-N 3.47Å; D403-V405 VanDerWaalsContact OD1-CB 3.28Å; D403-V405 WeakPolarHBondContact OD1-CB 3.14Å; D403-V405 PolarHBondContact OD1-N 3.25Å
406	D	72	Confident	88.4	Confident	75 Å²	75	61.3 Å²	61.3	40%	0.401	30%	0.3	S	S	.	.	S	Bend	trans	-136.4	53.2	178.7	-166.4	5.6	0	0	0	111.6	Q408 R409 N412	D406-Q408 PolarHBondContact O-N 2.8Å; D406-R409 PolarHBondContact O-N 3.22Å; D406-R409 VanDerWaalsContact OD2-CD 3.24Å; D406-R409 WeakPolarHBondContact OD2-CD 3.32Å; D406-R409 WeakPolarHBondContact OD2-CG 3.41Å; D406-N412 PolarHBondContact O-ND2 2.82Å
407	D	68.6	Low	88.5	Confident	73 Å²	73	60.7 Å²	60.7	39%	0.39	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	5.7	-179.4	-166.5	33.2	0	0	0	113.8	D403 Y413	D403-D407 PolarHBondContact O-N 3.2Å; D407-Y413 PolarHBondContact OD1-OH 3.26Å; D407-Y413 VanDerWaalsContact OD1-OH 3.1Å
408	Q	76.3	Confident	88.5	Confident	181 Å²	181	60.8 Å²	60.8	85%	0.846	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-11.6	178.2	-61.2	-171.2	18.9	0	0	113.8	D406 P410	D406-Q408 PolarHBondContact O-N 2.8Å; Q408-P410 WeakPolarHBondContact O-CD 3.43Å
409	R	88.4	Confident	88.6	Confident	93 Å²	93	62.5 Å²	62.5	35%	0.351	31%	0.306	S	S	.	.			trans	-68.8	119.3	175.6	-79.6	179.1	67.9	-148.8	-4.6	110.6	D406 E411 N412 E415	D406-R409 PolarHBondContact O-N 3.22Å; D406-R409 VanDerWaalsContact OD2-CD 3.24Å; D406-R409 WeakPolarHBondContact OD2-CD 3.32Å; D406-R409 WeakPolarHBondContact OD2-CG 3.41Å; R409-E411 IonicContact CZ-OE1 3.52Å; R409-E411 IonicContact NE-OE1 3.57Å; R409-E411 PolarHBondContact NE-OE1 3.44Å; R409-E411 IonicContact NH2-OE1 3.51Å; R409-E411 PolarHBondContact NH2-OE1 3.1Å; R409-E411 PolarHBondContact O-N 3.35Å; R409-E411 VanDerWaalsContact O-N 3.13Å; R409-N412 VanDerWaalsContact CB-OD1 3.25Å; R409-N412 WeakPolarHBondContact CB-OD1 3.37Å; R409-N412 WeakPolarHBondContact O-CB 3.47Å; R409-N412 PolarHBondContact O-N 2.98Å; R409-N412 VanDerWaalsContact O-N 3.13Å; R409-E415 IonicContact NH2-OE2 2.78Å
410	P	87.9	Confident	88.8	Confident	80 Å²	80	55.8 Å²	55.8	52%	0.519	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-32.8	-176.8	-26.7	34.7	0	0	0	114.1	I372 Q408 N412	I372-P410 HydrophobicContact CD1-CB 4.15Å; I372-P410 HydrophobicContact CG2-CB 3.97Å; Q408-P410 WeakPolarHBondContact O-CD 3.43Å; P410-N412 VanDerWaalsContact C-N 3.35Å; P410-N412 PolarHBondContact O-N 2.81Å
411	E	92.8	Very high	88.9	Confident	47 Å²	47	53.4 Å²	53.4	22%	0.22	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-12.7	-177.5	60.2	-90.6	-151.1	0	0	115.1	I372 R409 Y413 R414 E415	I372-E411 HydrophobicContact CD1-CB 4.17Å; R409-E411 IonicContact CZ-OE1 3.52Å; R409-E411 IonicContact NE-OE1 3.57Å; R409-E411 PolarHBondContact NE-OE1 3.44Å; R409-E411 IonicContact NH2-OE1 3.51Å; R409-E411 PolarHBondContact NH2-OE1 3.1Å; R409-E411 PolarHBondContact O-N 3.35Å; R409-E411 VanDerWaalsContact O-N 3.13Å; E411-Y413 PolarHBondContact O-N 2.78Å; E411-R414 VanDerWaalsContact CB-NH2 3.32Å; E411-R414 WeakPolarHBondContact O-CB 3.35Å; E411-R414 PolarHBondContact O-N 3.47Å; E411-R414 VanDerWaalsContact O-N 3.08Å; E411-E415 HydrophobicContact CB-CG 4.42Å; E411-E415 PolarHBondContact O-N 3.09Å
412	N	92.4	Very high	89	Confident	16 Å²	16	52.5 Å²	52.5	9%	0.086	26%	0.263	C	S	.	.	H	α-helix	trans	-54	-51.2	-170.1	-81	-9.3	0	0	0	113.1	D406 R409 P410 R414 E415 A416	D406-N412 PolarHBondContact O-ND2 2.82Å; R409-N412 VanDerWaalsContact CB-OD1 3.25Å; R409-N412 WeakPolarHBondContact CB-OD1 3.37Å; R409-N412 WeakPolarHBondContact O-CB 3.47Å; R409-N412 PolarHBondContact O-N 2.98Å; R409-N412 VanDerWaalsContact O-N 3.13Å; P410-N412 VanDerWaalsContact C-N 3.35Å; P410-N412 PolarHBondContact O-N 2.81Å; N412-R414 VanDerWaalsContact C-N 3.33Å; N412-R414 PolarHBondContact O-N 3.19Å; N412-E415 PolarHBondContact O-N 3.48Å; N412-A416 WeakPolarHBondContact O-CB 3.22Å; N412-A416 PolarHBondContact O-N 3.43Å
413	Y	95.6	Very high	89.5	Confident	25 Å²	25	52 Å²	52	10%	0.098	26%	0.26	C	S	.	.	H	α-helix	trans	-67.4	-35.4	-178	-72.6	-73.2	0	0	0	111.9	R375 F378 L398 T402 D407 E411 L417	R375-Y413 HydrophobicContact CB-CE1 3.88Å; R375-Y413 HydrophobicContact CB-CE2 4.04Å; R375-Y413 HydrophobicContact CG-CE1 3.85Å; R375-Y413 PolarHBondContact NH1-OH 2.94Å; F378-Y413 HydrophobicContact CB-CD1 3.75Å; F378-Y413 HydrophobicContact CB-CG 4.26Å; F378-Y413 HydrophobicContact CD1-CD1 4.33Å; F378-Y413 AromaticContact CD2-CD1 3.96Å; F378-Y413 HydrophobicContact CD2-CD1 3.96Å; F378-Y413 VanDerWaalsContact CD2-O 3.28Å; F378-Y413 WeakPolarHBondContact CD2-O 3.38Å; F378-Y413 AromaticContact CG-CD1 3.75Å; F378-Y413 HydrophobicContact CG-CD1 3.75Å; L398-Y413 HydrophobicContact CD1-CE1 4.48Å; T402-Y413 HydrophobicContact CG2-CD1 4.39Å; T402-Y413 HydrophobicContact CG2-CE1 3.64Å; D407-Y413 PolarHBondContact OD1-OH 3.26Å; D407-Y413 VanDerWaalsContact OD1-OH 3.1Å; E411-Y413 PolarHBondContact O-N 2.78Å; Y413-L417 PolarHBondContact O-N 3.34Å
414	R	96.6	Very high	90.6	Very high	29 Å²	29	50.9 Å²	50.9	11%	0.109	25%	0.25	C	C	.	.	H	α-helix	trans	-63.2	-51.1	176.9	178.7	-160.1	67.3	-159.4	-1.3	110.6	F365 N370 S371 I373 E411 N412 L417 G418 W461	F365-R414 HydrophobicContact CE1-CB 4.45Å; F365-R414 HydrophobicContact CE1-CG 3.59Å; F365-R414 HydrophobicContact CZ-CB 4.47Å; F365-R414 HydrophobicContact CZ-CG 4.07Å; N370-R414 WeakPolarHBondContact O-CD 3.39Å; N370-R414 PolarHBondContact O-NH1 2.98Å; S371-R414 WeakPolarHBondContact O-CB 3.33Å; S371-R414 VanDerWaalsContact O-CD 3.25Å; S371-R414 WeakPolarHBondContact O-CD 3.28Å; S371-R414 WeakPolarHBondContact O-CG 3.39Å; I373-R414 HydrophobicContact CG1-CB 4.37Å; E411-R414 VanDerWaalsContact CB-NH2 3.32Å; E411-R414 WeakPolarHBondContact O-CB 3.35Å; E411-R414 PolarHBondContact O-N 3.47Å; E411-R414 VanDerWaalsContact O-N 3.08Å; N412-R414 VanDerWaalsContact C-N 3.33Å; N412-R414 PolarHBondContact O-N 3.19Å; R414-L417 PolarHBondContact O-N 3Å; R414-G418 PolarHBondContact O-N 2.69Å; R414-W461 HydrophobicContact CG-CE3 4.2Å
415	E	96.9	Very high	91.6	Very high	79 Å²	79	45.4 Å²	45.4	37%	0.369	23%	0.23	S	C	.	.	H	α-helix	trans	-64.8	-43.7	180	-69.8	177.1	-174.3	0	0	110.9	R409 E411 N412 L417 G418 D419	R409-E415 IonicContact NH2-OE2 2.78Å; E411-E415 HydrophobicContact CB-CG 4.42Å; E411-E415 PolarHBondContact O-N 3.09Å; N412-E415 PolarHBondContact O-N 3.48Å; E415-L417 VanDerWaalsContact C-N 3.32Å; E415-L417 PolarHBondContact O-N 2.89Å; E415-G418 PolarHBondContact O-N 3.07Å; E415-D419 PolarHBondContact O-N 3.17Å
416	A	97.3	Very high	92.9	Very high	9 Å²	9	38.8 Å²	38.8	7%	0.074	19%	0.19	C	C	.	.	H	α-helix	trans	-57.9	-41.3	175.9	0	0	0	0	0	112.3	F378 Y401 N412 D419 V420	F378-A416 HydrophobicContact CD2-CB 4.49Å; F378-A416 HydrophobicContact CE2-CB 3.71Å; F378-A416 HydrophobicContact CZ-CB 4.41Å; Y401-A416 WeakPolarHBondContact O-CB 3.49Å; N412-A416 WeakPolarHBondContact O-CB 3.22Å; N412-A416 PolarHBondContact O-N 3.43Å; A416-D419 PolarHBondContact O-N 2.8Å; A416-V420 WeakPolarHBondContact O-CB 3.27Å; A416-V420 VanDerWaalsContact O-CG2 3.26Å; A416-V420 WeakPolarHBondContact O-CG2 3.23Å; A416-V420 PolarHBondContact O-N 3.44Å
417	L	98.4	Very high	94.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-71.6	-37.2	-179.1	-167.8	64.5	0	0	0	111.4	L358 A362 F365 I373 F378 L382 Y413 R414 E415 D419 V420 V421	L358-L417 HydrophobicContact CD2-CD2 4.04Å; L358-L417 HydrophobicContact CD2-CG 3.95Å; A362-L417 HydrophobicContact CB-CD2 4.31Å; F365-L417 HydrophobicContact CE2-CD2 3.57Å; F365-L417 HydrophobicContact CZ-CB 4.3Å; F365-L417 HydrophobicContact CZ-CD2 3.92Å; I373-L417 HydrophobicContact CD1-CD2 4.44Å; F378-L417 HydrophobicContact CD2-CB 3.78Å; F378-L417 HydrophobicContact CD2-CD1 4.19Å; F378-L417 HydrophobicContact CD2-CG 4.47Å; F378-L417 HydrophobicContact CE2-CB 3.79Å; F378-L417 HydrophobicContact CE2-CD1 4.04Å; F378-L417 HydrophobicContact CZ-CD1 4.5Å; L382-L417 HydrophobicContact CD2-CD1 3.95Å; Y413-L417 PolarHBondContact O-N 3.34Å; R414-L417 PolarHBondContact O-N 3Å; E415-L417 VanDerWaalsContact C-N 3.32Å; E415-L417 PolarHBondContact O-N 2.89Å; L417-D419 VanDerWaalsContact C-N 3.35Å; L417-V420 PolarHBondContact O-N 2.89Å; L417-V421 WeakPolarHBondContact O-CG2 3.4Å; L417-V421 PolarHBondContact O-N 3.22Å; L417-V421 VanDerWaalsContact O-N 3.08Å
418	G	98.6	Very high	95.7	Very high	3 Å²	3	32 Å²	32	3%	0.031	15%	0.153	C	C	.	.	H	α-helix	trans	-59.4	-45.5	171.3	0	0	0	0	0	112.2	G354 R414 E415 V421 G422	G354-G418 WeakPolarHBondContact CA-O 3.02Å; R414-G418 PolarHBondContact O-N 2.69Å; E415-G418 PolarHBondContact O-N 3.07Å; G418-V421 PolarHBondContact O-N 2.95Å; G418-G422 PolarHBondContact O-N 3.44Å
419	D	98.7	Very high	96.7	Very high	36 Å²	36	23.9 Å²	23.9	19%	0.193	12%	0.117	C	C	.	.	H	α-helix	trans	-66.1	-42.1	176.5	-83.4	-10.9	0	0	0	112.1	Y401 E415 A416 L417 V421 G422 D423 R543	Y401-D419 HydrophobicContact CD1-CB 4.19Å; Y401-D419 HydrophobicContact CE1-CB 3.92Å; E415-D419 PolarHBondContact O-N 3.17Å; A416-D419 PolarHBondContact O-N 2.8Å; L417-D419 VanDerWaalsContact C-N 3.35Å; D419-V421 VanDerWaalsContact C-N 3.33Å; D419-V421 PolarHBondContact O-N 3.38Å; D419-G422 PolarHBondContact O-N 3.11Å; D419-D423 WeakPolarHBondContact O-CB 3.35Å; D419-D423 VanDerWaalsContact O-CG 3.24Å; D419-D423 PolarHBondContact O-N 2.95Å; D419-R543 VanDerWaalsContact CG-NH1 3.32Å; D419-R543 IonicContact OD1-CZ 3.39Å; D419-R543 IonicContact OD1-NH1 3.56Å; D419-R543 IonicContact OD1-NH2 2.66Å; D419-R543 PolarHBondContact OD1-NH2 2.75Å; D419-R543 IonicContact OD2-CZ 3.36Å; D419-R543 IonicContact OD2-NH1 2.85Å; D419-R543 PolarHBondContact OD2-NH1 3.09Å; D419-R543 IonicContact OD2-NH2 2.57Å; D419-R543 PolarHBondContact OD2-NH2 2.76Å
420	V	98.8	Very high	97.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-55	-50	174.8	162.6	0	0	0	0	110.8	F378 L382 F386 I397 Y401 A416 L417 Y424 W550	F378-V420 HydrophobicContact CZ-CG2 4.32Å; L382-V420 HydrophobicContact CD2-CG1 3.97Å; F386-V420 HydrophobicContact CE2-CG1 3.65Å; F386-V420 HydrophobicContact CZ-CG1 4Å; I397-V420 HydrophobicContact CG2-CB 4.49Å; I397-V420 HydrophobicContact CG2-CG1 3.85Å; I397-V420 HydrophobicContact CG2-CG2 3.7Å; Y401-V420 HydrophobicContact CD1-CG2 3.62Å; Y401-V420 HydrophobicContact CD2-CG2 3.5Å; Y401-V420 HydrophobicContact CE1-CG2 4.01Å; Y401-V420 HydrophobicContact CE2-CG2 3.9Å; Y401-V420 HydrophobicContact CG-CG2 3.35Å; A416-V420 WeakPolarHBondContact O-CB 3.27Å; A416-V420 VanDerWaalsContact O-CG2 3.26Å; A416-V420 WeakPolarHBondContact O-CG2 3.23Å; A416-V420 PolarHBondContact O-N 3.44Å; L417-V420 PolarHBondContact O-N 2.89Å; V420-Y424 VanDerWaalsContact O-CB 3.27Å; V420-Y424 WeakPolarHBondContact O-CB 3.45Å; V420-Y424 PolarHBondContact O-N 3.39Å; V420-W550 HydrophobicContact CG1-CH2 4.32Å; V420-W550 HydrophobicContact CG1-CZ2 4.07Å
421	V	98.8	Very high	97.8	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-68.6	-43.3	-178.4	175.6	0	0	0	0	110.5	L314 F357 L358 F385 L417 G418 D419 N425	L314-V421 HydrophobicContact CD1-CG1 3.65Å; F357-V421 HydrophobicContact CB-CG1 4.41Å; F357-V421 HydrophobicContact CD2-CG1 4.28Å; L358-V421 HydrophobicContact CD2-CG2 3.9Å; F385-V421 HydrophobicContact CB-CG2 4.47Å; F385-V421 HydrophobicContact CD1-CG1 4.39Å; F385-V421 HydrophobicContact CD1-CG2 3.95Å; F385-V421 HydrophobicContact CD2-CG2 3.71Å; F385-V421 HydrophobicContact CE1-CG1 4.17Å; F385-V421 HydrophobicContact CE1-CG2 4.08Å; F385-V421 HydrophobicContact CE2-CG2 3.85Å; F385-V421 HydrophobicContact CG-CG2 3.78Å; F385-V421 HydrophobicContact CZ-CG2 4.04Å; L417-V421 WeakPolarHBondContact O-CG2 3.4Å; L417-V421 PolarHBondContact O-N 3.22Å; L417-V421 VanDerWaalsContact O-N 3.08Å; G418-V421 PolarHBondContact O-N 2.95Å; D419-V421 VanDerWaalsContact C-N 3.33Å; D419-V421 PolarHBondContact O-N 3.38Å; V421-N425 VanDerWaalsContact O-CB 3.3Å; V421-N425 WeakPolarHBondContact O-CB 3.24Å; V421-N425 PolarHBondContact O-N 2.87Å; V421-N425 PolarHBondContact O-ND2 3Å
422	G	98.8	Very high	98.1	Very high	2 Å²	2	16.2 Å²	16.2	2%	0.021	8%	0.078	C	C	.	.	H	α-helix	trans	-66.6	-46.1	-179.6	0	0	0	0	0	113.4	G418 D419 F426 I427	G418-G422 PolarHBondContact O-N 3.44Å; D419-G422 PolarHBondContact O-N 3.11Å; G422-F426 WeakPolarHBondContact O-CB 3.37Å; G422-F426 PolarHBondContact O-N 2.84Å; G422-I427 PolarHBondContact O-N 2.76Å
423	D	98.9	Very high	98.4	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.074	C	C	.	.	I	π-helix	trans	-65.3	-48.6	-178.7	-74.2	-23.9	0	0	0	111.4	Y401 D419 C428 P429 R543 Q546	Y401-D423 WeakPolarHBondContact CE1-OD2 3.37Å; Y401-D423 VanDerWaalsContact OH-CB 3.23Å; Y401-D423 WeakPolarHBondContact OH-CB 3.34Å; Y401-D423 PolarHBondContact OH-OD2 3.44Å; D419-D423 WeakPolarHBondContact O-CB 3.35Å; D419-D423 VanDerWaalsContact O-CG 3.24Å; D419-D423 PolarHBondContact O-N 2.95Å; D423-C428 VanDerWaalsContact O-CB 3.24Å; D423-C428 WeakPolarHBondContact O-CB 3.41Å; D423-C428 PolarHBondContact O-N 2.89Å; D423-C428 PolarHBondContact O-SG 3.48Å; D423-C428 VanDerWaalsContact O-SG 3.35Å; D423-P429 WeakPolarHBondContact O-CD 3.29Å; D423-R543 IonicContact OD1-NE 3.61Å; D423-Q546 WeakPolarHBondContact OD2-CB 3.23Å; D423-Q546 WeakPolarHBondContact OD2-CG 3.44Å
424	Y	98.8	Very high	98.5	Very high	54 Å²	54	14.3 Å²	14.3	21%	0.212	7%	0.07	C	C	.	.	I	π-helix	trans	-66.2	-41.9	-177.9	-179.8	-117	0	0	0	112.6	P258 F386 V420 P429 W550 F554	P258-Y424 HydrophobicContact CB-CE1 3.84Å; P258-Y424 HydrophobicContact CG-CD1 4.06Å; P258-Y424 HydrophobicContact CG-CD2 4.32Å; P258-Y424 HydrophobicContact CG-CE1 3.55Å; P258-Y424 HydrophobicContact CG-CE2 3.84Å; P258-Y424 HydrophobicContact CG-CG 4.43Å; P258-Y424 VanDerWaalsContact CG-CZ 3.43Å; F386-Y424 HydrophobicContact CD1-CE1 4.39Å; F386-Y424 AromaticContact CE1-CD1 3.54Å; F386-Y424 HydrophobicContact CE1-CD1 3.54Å; F386-Y424 HydrophobicContact CE1-CD2 4.47Å; F386-Y424 AromaticContact CE1-CE1 3.56Å; F386-Y424 HydrophobicContact CE1-CE1 3.56Å; F386-Y424 HydrophobicContact CE1-CE2 4.49Å; F386-Y424 HydrophobicContact CE1-CG 4.02Å; F386-Y424 AromaticContact CZ-CD1 3.79Å; F386-Y424 HydrophobicContact CZ-CD1 3.79Å; F386-Y424 HydrophobicContact CZ-CE1 4.27Å; F386-Y424 HydrophobicContact CZ-CG 4.1Å; V420-Y424 VanDerWaalsContact O-CB 3.27Å; V420-Y424 WeakPolarHBondContact O-CB 3.45Å; V420-Y424 PolarHBondContact O-N 3.39Å; Y424-P429 WeakPolarHBondContact O-CD 3.31Å; Y424-P429 VanDerWaalsContact O-CG 3.28Å; Y424-P429 WeakPolarHBondContact O-CG 3.17Å; Y424-W550 AromaticContact CD2-CD2 3.73Å; Y424-W550 HydrophobicContact CD2-CD2 3.73Å; Y424-W550 AromaticContact CD2-CE3 3.29Å; Y424-W550 HydrophobicContact CD2-CE3 3.29Å; Y424-W550 HydrophobicContact CD2-CG 4.35Å; Y424-W550 HydrophobicContact CD2-CH2 4.27Å; Y424-W550 AromaticContact CD2-CZ3 3.6Å; Y424-W550 HydrophobicContact CD2-CZ3 3.6Å; Y424-W550 AromaticContact CE2-CE3 3.92Å; Y424-W550 HydrophobicContact CE2-CE3 3.92Å; Y424-W550 HydrophobicContact CE2-CZ3 4.12Å; Y424-W550 HydrophobicContact CG-CD2 4.32Å; Y424-W550 HydrophobicContact CG-CE3 4.08Å; Y424-W550 HydrophobicContact CG-CH2 4.29Å; Y424-W550 HydrophobicContact CG-CZ3 4.05Å; Y424-F554 HydrophobicContact CE2-CD1 4.24Å; Y424-F554 HydrophobicContact CE2-CE1 4.16Å
425	N	98.8	Very high	98.6	Very high	12 Å²	12	16 Å²	16	6%	0.064	8%	0.078	C	C	.	.	I	π-helix	trans	-91.5	-23.3	-171.2	-67.7	-79	0	0	0	114.2	A257 W259 L314 V421	A257-N425 WeakPolarHBondContact CB-O 3.42Å; W259-N425 PolarHBondContact NE1-O 2.95Å; L314-N425 HydrophobicContact CD1-CB 4.19Å; L314-N425 WeakPolarHBondContact CD1-ND2 3.2Å; V421-N425 VanDerWaalsContact O-CB 3.3Å; V421-N425 WeakPolarHBondContact O-CB 3.24Å; V421-N425 PolarHBondContact O-N 2.87Å; V421-N425 PolarHBondContact O-ND2 3Å
426	F	98.9	Very high	98.7	Very high	1 Å²	1	14.3 Å²	14.3	0%	0.004	7%	0.069	C	C	.	.	I	π-helix	trans	-134.4	-60.6	-170.1	-57.7	-75.2	0	0	0	113.2	S252 W259 L314 E353 F357 G422 A430 H466	S252-F426 WeakPolarHBondContact O-CD1 3.26Å; W259-F426 AromaticContact CE2-CE1 3.87Å; W259-F426 HydrophobicContact CZ2-CD1 4.09Å; W259-F426 AromaticContact CZ2-CE1 3.69Å; W259-F426 HydrophobicContact CZ2-CE1 3.69Å; W259-F426 AromaticContact NE1-CE1 3.69Å; L314-F426 HydrophobicContact CD2-CE2 4.09Å; L314-F426 HydrophobicContact CD2-CZ 3.77Å; E353-F426 HydrophobicContact CB-CB 4.16Å; E353-F426 HydrophobicContact CB-CD2 3.73Å; E353-F426 HydrophobicContact CB-CE2 4.5Å; E353-F426 HydrophobicContact CB-CG 4.18Å; E353-F426 HydrophobicContact CG-CB 3.92Å; E353-F426 HydrophobicContact CG-CD2 4.36Å; E353-F426 HydrophobicContact CG-CG 4.32Å; F357-F426 HydrophobicContact CD2-CE2 4.25Å; F357-F426 AromaticContact CE2-CE2 3.45Å; F357-F426 HydrophobicContact CE2-CE2 3.45Å; F357-F426 VanDerWaalsContact CE2-CE2 3.45Å; F357-F426 AromaticContact CE2-CZ 3.71Å; F357-F426 HydrophobicContact CE2-CZ 3.71Å; F357-F426 AromaticContact CZ-CE2 3.95Å; F357-F426 HydrophobicContact CZ-CE2 3.95Å; F357-F426 AromaticContact CZ-CZ 3.7Å; F357-F426 HydrophobicContact CZ-CZ 3.7Å; G422-F426 WeakPolarHBondContact O-CB 3.37Å; G422-F426 PolarHBondContact O-N 2.84Å; F426-A430 VanDerWaalsContact O-CB 3.22Å; F426-A430 WeakPolarHBondContact O-CB 3.49Å; F426-A430 PolarHBondContact O-N 3.23Å; F426-H466 AromaticContact CD1-CE1 3.91Å; F426-H466 AromaticContact CE1-CE1 3.34Å; F426-H466 WeakPolarHBondContact CE1-CE1 3.4Å; F426-H466 AromaticContact CE1-ND1 3.9Å; F426-H466 AromaticContact CE1-NE2 3.99Å; F426-H466 AromaticContact CZ-CE1 3.67Å; F426-H466 AromaticContact CZ-ND1 3.98Å
427	I	98.9	Very high	98.7	Very high	2 Å²	2	14 Å²	14	1%	0.01	7%	0.066	C	C	.	.	I	π-helix	trans	-64.9	-52.3	-168.6	-54.2	-172.5	0	0	0	111.6	V349 E353 G422 A430 L431 Y448 L542 R543	V349-I427 HydrophobicContact CB-CG1 4.18Å; V349-I427 HydrophobicContact CG2-CB 4.24Å; V349-I427 HydrophobicContact CG2-CD1 4.29Å; V349-I427 HydrophobicContact CG2-CG1 3.79Å; V349-I427 HydrophobicContact CG2-CG2 4.07Å; E353-I427 HydrophobicContact CG-CG1 4.26Å; G422-I427 PolarHBondContact O-N 2.76Å; I427-A430 PolarHBondContact O-N 3.25Å; I427-L431 HydrophobicContact CG2-CD1 3.84Å; I427-L431 WeakPolarHBondContact O-CG 3.29Å; I427-L431 PolarHBondContact O-N 2.81Å; I427-Y448 HydrophobicContact CD1-CE2 4.35Å; I427-L542 HydrophobicContact CG2-CD2 3.97Å; I427-L542 HydrophobicContact CG2-CG 4.28Å; I427-R543 HydrophobicContact CG2-CB 4.34Å; I427-R543 HydrophobicContact CG2-CG 4.14Å
428	C	98.9	Very high	98.7	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.014	7%	0.071	C	C	.	.	H	α-helix	trans	-70.7	-41.9	-176.1	-57.6	0	0	0	0	113.1	D423 A430 L431 E432 C547 W550	D423-C428 VanDerWaalsContact O-CB 3.24Å; D423-C428 WeakPolarHBondContact O-CB 3.41Å; D423-C428 PolarHBondContact O-N 2.89Å; D423-C428 PolarHBondContact O-SG 3.48Å; D423-C428 VanDerWaalsContact O-SG 3.35Å; C428-A430 PolarHBondContact O-N 3.05Å; C428-L431 PolarHBondContact O-N 2.8Å; C428-E432 WeakPolarHBondContact O-CB 3.47Å; C428-E432 PolarHBondContact O-N 3.21Å; C428-C547 WeakPolarHBondContact CA-SG 3.39Å; C428-C547 HydrophobicContact CB-CB 3.7Å; C428-C547 WeakPolarHBondContact CB-SG 3.49Å; C428-C547 WeakPolarHBondContact SG-CA 3.22Å; C428-C547 WeakPolarHBondContact SG-CB 3.45Å; C428-C547 CovalentContact SG-SG 2.05Å; C428-C547 PolarHBondContact SG-SG 2.74Å; C428-W550 HydrophobicContact CB-CB 4.47Å
429	P	98.8	Very high	98.7	Very high	12 Å²	12	19.7 Å²	19.7	8%	0.078	9%	0.093	C	C	.	.	H	α-helix	trans	-57.3	-44.5	170.7	-27.4	35.6	0	0	0	113.7	N256 A257 D423 Y424 L431 E432 F433	N256-P429 PolarHBondContact ND2-O 3.18Å; N256-P429 PolarHBondContact OD1-O 3.47Å; A257-P429 HydrophobicContact CB-CB 4.1Å; A257-P429 HydrophobicContact CB-CG 4.33Å; D423-P429 WeakPolarHBondContact O-CD 3.29Å; Y424-P429 WeakPolarHBondContact O-CD 3.31Å; Y424-P429 VanDerWaalsContact O-CG 3.28Å; Y424-P429 WeakPolarHBondContact O-CG 3.17Å; P429-L431 PolarHBondContact O-N 3.08Å; P429-E432 PolarHBondContact O-N 2.92Å; P429-F433 WeakPolarHBondContact O-CB 3.26Å; P429-F433 PolarHBondContact O-N 2.98Å
430	A	98.9	Very high	98.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-64.6	-40.6	179.5	0	0	0	0	0	112.3	V347 V349 F426 I427 C428 T434 F446	V347-A430 HydrophobicContact CG1-CB 4.13Å; V349-A430 HydrophobicContact CG1-CB 3.76Å; F426-A430 VanDerWaalsContact O-CB 3.22Å; F426-A430 WeakPolarHBondContact O-CB 3.49Å; F426-A430 PolarHBondContact O-N 3.23Å; I427-A430 PolarHBondContact O-N 3.25Å; C428-A430 PolarHBondContact O-N 3.05Å; A430-T434 WeakPolarHBondContact O-CB 3.39Å; A430-T434 PolarHBondContact O-N 3.33Å; A430-T434 PolarHBondContact O-OG1 2.94Å; A430-F446 HydrophobicContact CB-CE2 4.23Å; A430-F446 HydrophobicContact CB-CZ 4.35Å
431	L	98.9	Very high	98.6	Very high	12 Å²	12	26.7 Å²	26.7	6%	0.063	14%	0.138	C	C	.	.	H	α-helix	trans	-64.4	-44.2	174.9	-74.9	167.2	0	0	0	111.7	I427 C428 P429 T434 K435 F446 F521 L542	I427-L431 HydrophobicContact CG2-CD1 3.84Å; I427-L431 WeakPolarHBondContact O-CG 3.29Å; I427-L431 PolarHBondContact O-N 2.81Å; C428-L431 PolarHBondContact O-N 2.8Å; P429-L431 PolarHBondContact O-N 3.08Å; L431-T434 PolarHBondContact O-N 3.13Å; L431-K435 WeakPolarHBondContact O-CB 3.33Å; L431-K435 PolarHBondContact O-N 3.11Å; L431-F446 HydrophobicContact CD2-CD1 4.28Å; L431-F446 HydrophobicContact CD2-CD2 4.21Å; L431-F446 HydrophobicContact CD2-CE1 3.88Å; L431-F446 HydrophobicContact CD2-CE2 3.79Å; L431-F446 HydrophobicContact CD2-CG 4.43Å; L431-F446 HydrophobicContact CD2-CZ 3.61Å; L431-F446 HydrophobicContact CG-CE1 4.46Å; L431-F446 HydrophobicContact CG-CE2 4.16Å; L431-F446 HydrophobicContact CG-CZ 3.85Å; L431-F521 HydrophobicContact CD2-CE2 4.14Å; L431-F521 HydrophobicContact CD2-CZ 4.49Å; L431-L542 HydrophobicContact CD1-CB 4.13Å; L431-L542 HydrophobicContact CD1-CD2 4.3Å; L431-L542 HydrophobicContact CD1-CG 4.28Å; L431-L542 WeakPolarHBondContact CD1-O 3.43Å; L431-L542 HydrophobicContact CD2-CB 4.27Å; L431-L542 HydrophobicContact CD2-CD2 4.46Å
432	E	98.7	Very high	98.5	Very high	46 Å²	46	27.6 Å²	27.6	22%	0.215	14%	0.144	C	C	.	.	H	α-helix	trans	-67	-41.9	180	-173.7	61.3	-168.2	0	0	111.7	C428 P429 T434 K435 K436	C428-E432 WeakPolarHBondContact O-CB 3.47Å; C428-E432 PolarHBondContact O-N 3.21Å; P429-E432 PolarHBondContact O-N 2.92Å; E432-T434 PolarHBondContact O-N 2.81Å; E432-K435 PolarHBondContact O-N 2.83Å; E432-K436 PolarHBondContact O-N 2.99Å; E432-K436 WeakPolarHBondContact OE1-CE 3.41Å
433	F	98.9	Very high	98.5	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.009	16%	0.163	C	C	.	.	H	α-helix	trans	-56.8	-50.7	171.7	171.9	-95.6	0	0	0	110.9	L236 L250 F255 L335 I345 V347 P429 K435 K436 F437	L236-F433 HydrophobicContact CD1-CZ 3.97Å; L250-F433 HydrophobicContact CD1-CE1 4.4Å; L250-F433 HydrophobicContact CD2-CD1 4.08Å; L250-F433 HydrophobicContact CD2-CE1 3.55Å; L250-F433 HydrophobicContact CD2-CZ 3.93Å; F255-F433 HydrophobicContact CD1-CD2 4.28Å; F255-F433 HydrophobicContact CD1-CE2 4.17Å; F255-F433 AromaticContact CE1-CD2 3.73Å; F255-F433 HydrophobicContact CE1-CD2 3.73Å; F255-F433 AromaticContact CE1-CE2 3.67Å; F255-F433 HydrophobicContact CE1-CE2 3.67Å; F255-F433 HydrophobicContact CZ-CD2 4.3Å; L335-F433 HydrophobicContact CD2-CD2 3.98Å; I345-F433 HydrophobicContact CD1-CD1 4.39Å; I345-F433 HydrophobicContact CD1-CE1 3.74Å; V347-F433 HydrophobicContact CG2-CD1 4.45Å; V347-F433 HydrophobicContact CG2-CE1 4.39Å; P429-F433 WeakPolarHBondContact O-CB 3.26Å; P429-F433 PolarHBondContact O-N 2.98Å; F433-K435 VanDerWaalsContact C-N 3.3Å; F433-K435 PolarHBondContact O-N 2.83Å; F433-K436 PolarHBondContact O-N 2.99Å; F433-F437 HydrophobicContact CZ-CD2 4.02Å; F433-F437 WeakPolarHBondContact O-CB 3.33Å; F433-F437 PolarHBondContact O-N 2.97Å
434	T	98.9	Very high	98.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.1	-41.8	-178.6	-55.8	0	0	0	0	111.3	A430 L431 E432 S438 A444 F446 F521	A430-T434 WeakPolarHBondContact O-CB 3.39Å; A430-T434 PolarHBondContact O-N 3.33Å; A430-T434 PolarHBondContact O-OG1 2.94Å; L431-T434 PolarHBondContact O-N 3.13Å; E432-T434 PolarHBondContact O-N 2.81Å; T434-S438 VanDerWaalsContact O-CB 3.28Å; T434-S438 WeakPolarHBondContact O-CB 3.42Å; T434-S438 PolarHBondContact O-N 3.32Å; T434-S438 PolarHBondContact O-OG 2.65Å; T434-A444 HydrophobicContact CG2-CB 3.74Å; T434-F446 HydrophobicContact CG2-CD2 4.02Å; T434-F446 WeakPolarHBondContact OG1-CD2 3.43Å; T434-F521 HydrophobicContact CG2-CB 4.11Å; T434-F521 HydrophobicContact CG2-CD1 3.59Å; T434-F521 HydrophobicContact CG2-CD2 4.29Å; T434-F521 HydrophobicContact CG2-CE1 4.01Å; T434-F521 HydrophobicContact CG2-CG 3.74Å; T434-F521 HydrophobicContact CG2-CZ 4.5Å
435	K	98.6	Very high	98.5	Very high	65 Å²	65	28.8 Å²	28.8	28%	0.283	15%	0.153	S	C	.	.	H	α-helix	trans	-60.8	-60.4	177.5	-175.7	-174.6	170.7	-163.8	0	111.1	L431 E432 F433 F437 S438 E439 F521 S523	L431-K435 WeakPolarHBondContact O-CB 3.33Å; L431-K435 PolarHBondContact O-N 3.11Å; E432-K435 PolarHBondContact O-N 2.83Å; F433-K435 VanDerWaalsContact C-N 3.3Å; F433-K435 PolarHBondContact O-N 2.83Å; K435-F437 VanDerWaalsContact C-N 3.28Å; K435-F437 PolarHBondContact O-N 3.31Å; K435-S438 PolarHBondContact O-N 3.49Å; K435-S438 VanDerWaalsContact O-N 3.09Å; K435-S438 PolarHBondContact O-OG 2.99Å; K435-E439 WeakPolarHBondContact O-CG 3.39Å; K435-E439 PolarHBondContact O-N 3.29Å; K435-F521 HydrophobicContact CB-CE1 4.15Å; K435-S523 WeakPolarHBondContact CG-OG 3.12Å; K435-S523 PolarHBondContact O-OG 3.44Å
436	K	98.3	Very high	98.5	Very high	43 Å²	43	28.2 Å²	28.2	19%	0.187	15%	0.15	C	C	.	.	H	α-helix	trans	-57.3	-41	179.6	-71.2	-172.6	177.2	-172.4	0	111.8	L335 E432 F433 S438 E439	L335-K436 HydrophobicContact CD1-CB 4.16Å; L335-K436 HydrophobicContact CD2-CB 3.84Å; L335-K436 HydrophobicContact CD2-CD 3.87Å; L335-K436 HydrophobicContact CD2-CG 4.47Å; L335-K436 HydrophobicContact CG-CB 3.84Å; L335-K436 HydrophobicContact CG-CD 4.13Å; E432-K436 PolarHBondContact O-N 2.99Å; E432-K436 WeakPolarHBondContact OE1-CE 3.41Å; F433-K436 PolarHBondContact O-N 2.99Å; K436-S438 PolarHBondContact O-N 2.8Å; K436-E439 PolarHBondContact O-N 3.35Å
437	F	98.6	Very high	98.5	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.009	15%	0.15	C	C	.	.	H	α-helix	trans	-63.9	-40.5	177.9	-170.6	-82.3	0	0	0	112.6	L236 L335 F340 T343 I345 F433 K435 E439 W440 N442	L236-F437 HydrophobicContact CD1-CE2 4.07Å; L335-F437 HydrophobicContact CD1-CB 4.39Å; F340-F437 AromaticContact CD2-CD2 3.77Å; F340-F437 HydrophobicContact CD2-CD2 3.77Å; F340-F437 AromaticContact CD2-CE2 3.39Å; F340-F437 HydrophobicContact CD2-CE2 3.39Å; F340-F437 HydrophobicContact CD2-CZ 4.16Å; F340-F437 AromaticContact CE2-CD2 3.41Å; F340-F437 HydrophobicContact CE2-CD2 3.41Å; F340-F437 VanDerWaalsContact CE2-CD2 3.41Å; F340-F437 HydrophobicContact CE2-CE1 4.44Å; F340-F437 AromaticContact CE2-CE2 3.3Å; F340-F437 HydrophobicContact CE2-CE2 3.3Å; F340-F437 HydrophobicContact CE2-CG 4.05Å; F340-F437 AromaticContact CE2-CZ 3.86Å; F340-F437 HydrophobicContact CE2-CZ 3.86Å; F340-F437 HydrophobicContact CG-CE2 4.4Å; F340-F437 AromaticContact CZ-CD2 3.91Å; F340-F437 HydrophobicContact CZ-CD2 3.91Å; F340-F437 HydrophobicContact CZ-CE2 4.25Å; F340-F437 HydrophobicContact CZ-CG 4.3Å; T343-F437 WeakPolarHBondContact O-CE1 3.43Å; T343-F437 WeakPolarHBondContact O-CZ 3.48Å; I345-F437 HydrophobicContact CB-CE1 4.32Å; I345-F437 HydrophobicContact CD1-CB 3.94Å; I345-F437 HydrophobicContact CD1-CD1 3.34Å; I345-F437 HydrophobicContact CD1-CD2 4.3Å; I345-F437 HydrophobicContact CD1-CE1 3.85Å; I345-F437 HydrophobicContact CD1-CG 3.61Å; I345-F437 HydrophobicContact CG1-CD1 3.75Å; I345-F437 HydrophobicContact CG1-CE1 3.8Å; I345-F437 HydrophobicContact CG1-CG 4.46Å; I345-F437 HydrophobicContact CG2-CD1 4.27Å; I345-F437 HydrophobicContact CG2-CE1 3.66Å; I345-F437 HydrophobicContact CG2-CE2 4.11Å; I345-F437 HydrophobicContact CG2-CZ 3.57Å; F433-F437 HydrophobicContact CZ-CD2 4.02Å; F433-F437 WeakPolarHBondContact O-CB 3.33Å; F433-F437 PolarHBondContact O-N 2.97Å; K435-F437 VanDerWaalsContact C-N 3.28Å; K435-F437 PolarHBondContact O-N 3.31Å; F437-E439 VanDerWaalsContact C-N 3.32Å; F437-E439 PolarHBondContact O-N 2.8Å; F437-W440 PolarHBondContact O-N 2.78Å; F437-N442 HydrophobicContact CD1-CB 3.97Å; F437-N442 HydrophobicContact CE1-CB 3.45Å; F437-N442 VanDerWaalsContact CE1-CB 3.45Å; F437-N442 HydrophobicContact CZ-CB 4.34Å
438	S	98.2	Very high	98.5	Very high	14 Å²	14	28.7 Å²	28.7	10%	0.098	15%	0.152	C	C	.	.	H	α-helix	trans	-69.4	-26.7	-179.6	76.2	0	0	0	0	113.5	T434 K435 K436 W440 G441 S523	T434-S438 VanDerWaalsContact O-CB 3.28Å; T434-S438 WeakPolarHBondContact O-CB 3.42Å; T434-S438 PolarHBondContact O-N 3.32Å; T434-S438 PolarHBondContact O-OG 2.65Å; K435-S438 PolarHBondContact O-N 3.49Å; K435-S438 VanDerWaalsContact O-N 3.09Å; K435-S438 PolarHBondContact O-OG 2.99Å; K436-S438 PolarHBondContact O-N 2.8Å; S438-W440 PolarHBondContact O-N 2.9Å; S438-G441 PolarHBondContact O-N 2.88Å; S438-S523 PolarHBondContact OG-OG 2.98Å
439	E	98.3	Very high	98.5	Very high	108 Å²	108	28.7 Å²	28.7	51%	0.505	15%	0.151	S	C	.	.	H	α-helix	trans	-64.5	-25.3	179.3	-72.3	167.1	179.2	0	0	112.6	K435 K436 F437 G441 S523	K435-E439 WeakPolarHBondContact O-CG 3.39Å; K435-E439 PolarHBondContact O-N 3.29Å; K436-E439 PolarHBondContact O-N 3.35Å; F437-E439 VanDerWaalsContact C-N 3.32Å; F437-E439 PolarHBondContact O-N 2.8Å; E439-G441 PolarHBondContact O-N 2.81Å; E439-S523 WeakPolarHBondContact CG-OG 3.37Å; E439-S523 WeakPolarHBondContact OE1-CB 3.4Å; E439-S523 PolarHBondContact OE1-OG 2.55Å
440	W	98.2	Very high	98.5	Very high	115 Å²	115	31.2 Å²	31.2	44%	0.436	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	16.9	173.9	-69.1	94.2	0	0	0	114	L335 E336 L337 F340 K342 F437 S438	L335-W440 PolarHBondContact O-NE1 2.99Å; E336-W440 WeakPolarHBondContact O-CZ2 3.43Å; L337-W440 WeakPolarHBondContact O-CH2 3.41Å; F340-W440 HydrophobicContact CE1-CB 4.47Å; F340-W440 AromaticContact CE1-CD1 3.54Å; F340-W440 AromaticContact CE1-CG 3.96Å; F340-W440 HydrophobicContact CE1-CG 3.96Å; F340-W440 AromaticContact CE1-NE1 3.97Å; F340-W440 HydrophobicContact CE2-CB 4.46Å; F340-W440 HydrophobicContact CZ-CB 3.7Å; F340-W440 AromaticContact CZ-CD1 3.51Å; F340-W440 AromaticContact CZ-CG 3.66Å; F340-W440 HydrophobicContact CZ-CG 3.66Å; K342-W440 HydrophobicContact CD-CB 4.3Å; F437-W440 PolarHBondContact O-N 2.78Å; S438-W440 PolarHBondContact O-N 2.9Å
441	G	96.4	Very high	98.5	Very high	68 Å²	68	32.2 Å²	32.2	70%	0.701	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.8	10.7	170.2	0	0	0	0	0	115.8	S438 E439	S438-G441 PolarHBondContact O-N 2.88Å; E439-G441 PolarHBondContact O-N 2.81Å
442	N	97.1	Very high	98.5	Very high	20 Å²	20	33.8 Å²	33.8	11%	0.107	17%	0.172	C	C	.	.			trans	-88.9	145	177.4	-59.7	-76	0	0	0	111.4	K342 T343 F437 A444	K342-N442 WeakPolarHBondContact CA-OD1 3.42Å; K342-N442 WeakPolarHBondContact CD-ND2 3.32Å; T343-N442 PolarHBondContact N-OD1 2.77Å; T343-N442 VanDerWaalsContact N-OD1 3.07Å; T343-N442 VanDerWaalsContact O-CB 3.32Å; T343-N442 WeakPolarHBondContact O-CB 3.33Å; T343-N442 PolarHBondContact O-OD1 3.4Å; F437-N442 HydrophobicContact CD1-CB 3.97Å; F437-N442 HydrophobicContact CE1-CB 3.45Å; F437-N442 VanDerWaalsContact CE1-CB 3.45Å; F437-N442 HydrophobicContact CZ-CB 4.34Å; N442-A444 PolarHBondContact O-N 3.44Å
443	N	98.6	Very high	98.5	Very high	80 Å²	80	31.8 Å²	31.8	43%	0.428	16%	0.163	S	C	.	.			trans	-72.7	121.7	171.4	-66.8	-14.7	0	0	0	109.9	Q344 I345 F445 V520	Q344-N443 VanDerWaalsContact CA-O 3.29Å; Q344-N443 WeakPolarHBondContact CA-O 3.42Å; Q344-N443 HydrophobicContact CG-CB 4.02Å; I345-N443 PolarHBondContact N-O 2.82Å; N443-F445 HydrophobicContact CB-CE2 4.27Å; N443-V520 HydrophobicContact CB-CG1 4.1Å
444	A	98.8	Very high	98.5	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	148.2	169.6	0	0	0	0	0	109.9	I345 T434 N442 V520 F521	I345-A444 HydrophobicContact CD1-CB 3.95Å; I345-A444 HydrophobicContact CG1-CB 3.62Å; I345-A444 CarbonylContact O-C 3.55Å; I345-A444 WeakPolarHBondContact O-CA 3.4Å; T434-A444 HydrophobicContact CG2-CB 3.74Å; N442-A444 PolarHBondContact O-N 3.44Å; A444-V520 CarbonylContact O-C 3.51Å; A444-V520 WeakPolarHBondContact O-CA 3.31Å; A444-F521 HydrophobicContact CB-CB 4.22Å; A444-F521 PolarHBondContact O-N 3.04Å
445	F	98.9	Very high	98.4	Very high	1 Å²	1	39.5 Å²	39.5	0%	0.004	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	128.5	173.2	-61.9	-87.9	0	0	0	108.4	I345 L346 V347 N443 F502 G506 N507 P508 W518 V520	I345-F445 PolarHBondContact O-N 3.18Å; L346-F445 CarbonylContact C-O 3.49Å; L346-F445 WeakPolarHBondContact CA-O 3.39Å; L346-F445 HydrophobicContact CG-CB 4.36Å; V347-F445 PolarHBondContact N-O 2.65Å; N443-F445 HydrophobicContact CB-CE2 4.27Å; F445-F502 HydrophobicContact CD2-CD2 4.16Å; F445-F502 HydrophobicContact CD2-CE2 4.02Å; F445-F502 HydrophobicContact CE2-CD2 4.41Å; F445-F502 HydrophobicContact CE2-CE2 4.34Å; F445-G506 WeakPolarHBondContact CE2-O 3.24Å; F445-N507 HydrophobicContact CZ-CB 4.46Å; F445-P508 HydrophobicContact CB-CG 4.13Å; F445-P508 HydrophobicContact CD1-CG 3.64Å; F445-P508 HydrophobicContact CD2-CG 4.17Å; F445-P508 HydrophobicContact CE1-CG 4.05Å; F445-P508 HydrophobicContact CG-CG 3.71Å; F445-P508 HydrophobicContact CZ-CG 4.47Å; F445-W518 HydrophobicContact CB-CZ2 4.28Å; F445-W518 HydrophobicContact CD1-CB 4.49Å; F445-W518 AromaticContact CD1-CD1 3.92Å; F445-W518 HydrophobicContact CD1-CG 4.14Å; F445-V520 HydrophobicContact CD1-CG1 4.5Å; F445-V520 HydrophobicContact CE1-CG1 3.77Å; F445-V520 HydrophobicContact CZ-CG1 3.82Å
446	F	98.9	Very high	98.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	134.1	-179.6	-157.3	-82.7	0	0	0	111.1	V347 V349 A430 L431 T434 W518 F521 Y528 L529 L542	V347-F446 HydrophobicContact CB-CD2 3.97Å; V347-F446 HydrophobicContact CB-CE2 4.18Å; V347-F446 HydrophobicContact CG1-CD2 4.11Å; V347-F446 HydrophobicContact CG1-CE2 3.79Å; V347-F446 CarbonylContact O-C 3.59Å; V347-F446 WeakPolarHBondContact O-CA 3.44Å; V349-F446 HydrophobicContact CG1-CZ 4.42Å; V349-F446 HydrophobicContact CG2-CE1 4.26Å; V349-F446 HydrophobicContact CG2-CZ 4.27Å; A430-F446 HydrophobicContact CB-CE2 4.23Å; A430-F446 HydrophobicContact CB-CZ 4.35Å; L431-F446 HydrophobicContact CD2-CD1 4.28Å; L431-F446 HydrophobicContact CD2-CD2 4.21Å; L431-F446 HydrophobicContact CD2-CE1 3.88Å; L431-F446 HydrophobicContact CD2-CE2 3.79Å; L431-F446 HydrophobicContact CD2-CG 4.43Å; L431-F446 HydrophobicContact CD2-CZ 3.61Å; L431-F446 HydrophobicContact CG-CE1 4.46Å; L431-F446 HydrophobicContact CG-CE2 4.16Å; L431-F446 HydrophobicContact CG-CZ 3.85Å; T434-F446 HydrophobicContact CG2-CD2 4.02Å; T434-F446 WeakPolarHBondContact OG1-CD2 3.43Å; F446-W518 PolarHBondContact O-NE1 3.27Å; F446-F521 HydrophobicContact CB-CB 4.37Å; F446-F521 HydrophobicContact CB-CD2 3.72Å; F446-F521 HydrophobicContact CB-CE2 4.43Å; F446-F521 HydrophobicContact CB-CG 4.37Å; F446-F521 HydrophobicContact CG-CD2 4.35Å; F446-Y528 HydrophobicContact CD1-CG 4.49Å; F446-Y528 WeakPolarHBondContact O-CA 3.33Å; F446-Y528 WeakPolarHBondContact O-CB 3.22Å; F446-L529 PolarHBondContact O-N 3.38Å; F446-L542 HydrophobicContact CE1-CD2 3.7Å; F446-L542 HydrophobicContact CZ-CD2 4.42Å
447	Y	98.9	Very high	98.3	Very high	1 Å²	1	37.7 Å²	37.7	0%	0.004	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	157.4	169.5	69.7	-91.1	0	0	0	112.8	Q251 L346 V347 G348 V349 F449 W499 W518 L529 L531	Q251-Y447 WeakPolarHBondContact CA-OH 3.5Å; Q251-Y447 VanDerWaalsContact CB-OH 3.27Å; Q251-Y447 WeakPolarHBondContact CB-OH 3.31Å; Q251-Y447 VanDerWaalsContact CG-OH 3.31Å; Q251-Y447 WeakPolarHBondContact CG-OH 3.25Å; L346-Y447 HydrophobicContact CD2-CD1 3.6Å; L346-Y447 HydrophobicContact CD2-CE1 3.72Å; V347-Y447 WeakPolarHBondContact O-CD1 3.48Å; V347-Y447 PolarHBondContact O-N 2.88Å; G348-Y447 VanDerWaalsContact CA-CE1 3.41Å; G348-Y447 WeakPolarHBondContact CA-O 3.28Å; V349-Y447 PolarHBondContact N-O 3.04Å; Y447-F449 HydrophobicContact CD2-CB 4.02Å; Y447-F449 HydrophobicContact CE2-CB 3.94Å; Y447-W499 AromaticContact CD1-CH2 3.84Å; Y447-W499 HydrophobicContact CD1-CH2 3.84Å; Y447-W499 HydrophobicContact CD1-CZ2 4.15Å; Y447-W499 AromaticContact CE1-CH2 3.82Å; Y447-W499 HydrophobicContact CE1-CH2 3.82Å; Y447-W499 AromaticContact CE1-CZ2 3.66Å; Y447-W499 HydrophobicContact CE1-CZ2 3.66Å; Y447-W499 HydrophobicContact CG-CH2 4.31Å; Y447-W518 VanDerWaalsContact CB-CZ2 3.49Å; Y447-W518 HydrophobicContact CD1-CH2 4.04Å; Y447-W518 HydrophobicContact CD1-CZ2 4.2Å; Y447-W518 HydrophobicContact CG-CH2 4.26Å; Y447-W518 HydrophobicContact CG-CZ2 4.33Å; Y447-L529 CarbonylContact C-O 3.51Å; Y447-L529 VanDerWaalsContact CA-O 3.24Å; Y447-L529 WeakPolarHBondContact CA-O 3.32Å; Y447-L531 HydrophobicContact CD2-CD1 3.81Å; Y447-L531 HydrophobicContact CG-CD1 3.8Å
448	Y	98.9	Very high	98.3	Very high	12 Å²	12	38 Å²	38	5%	0.047	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	113.9	166.3	-172.1	-126.3	0	0	0	108.7	V349 K351 I427 E450 Y528 L529 T530 L531 L542	V349-Y448 HydrophobicContact CG2-CD2 3.82Å; V349-Y448 HydrophobicContact CG2-CE2 4.16Å; V349-Y448 WeakPolarHBondContact O-CA 3.38Å; K351-Y448 WeakPolarHBondContact CA-OH 3.48Å; K351-Y448 HydrophobicContact CB-CE1 4.3Å; K351-Y448 HydrophobicContact CB-CE2 4.36Å; K351-Y448 HydrophobicContact CG-CE1 4.41Å; K351-Y448 WeakPolarHBondContact CG-OH 3.18Å; I427-Y448 HydrophobicContact CD1-CE2 4.35Å; Y448-E450 VanDerWaalsContact CD1-CD 3.46Å; Y448-E450 HydrophobicContact CD1-CG 3.36Å; Y448-E450 WeakPolarHBondContact CD1-OE1 3.18Å; Y448-E450 HydrophobicContact CE1-CG 3.53Å; Y448-E450 WeakPolarHBondContact CE1-OE1 3.4Å; Y448-E450 HydrophobicContact CG-CG 4.21Å; Y448-Y528 HydrophobicContact CD1-CE2 4.26Å; Y448-Y528 HydrophobicContact CG-CE2 4.2Å; Y448-L529 PolarHBondContact N-O 3.04Å; Y448-T530 CarbonylContact O-C 3.22Å; Y448-T530 WeakPolarHBondContact O-CA 3.3Å; Y448-L531 PolarHBondContact O-N 2.78Å; Y448-L542 HydrophobicContact CD1-CD1 4.07Å; Y448-L542 HydrophobicContact CD2-CD1 3.97Å; Y448-L542 HydrophobicContact CD2-CD2 3.71Å; Y448-L542 HydrophobicContact CE1-CD1 4.09Å; Y448-L542 HydrophobicContact CE2-CD1 3.97Å; Y448-L542 HydrophobicContact CE2-CD2 4.18Å; Y448-L542 HydrophobicContact CG-CD1 4Å; Y448-L542 HydrophobicContact CG-CD2 4.16Å
449	F	98.9	Very high	98.3	Very high	1 Å²	1	38.8 Å²	38.8	0%	0.004	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	120.2	-176.2	-177.8	-96.9	0	0	0	110	V349 N350 K351 Y447 H451 V464 E469 F472 L491 I495 L531	V349-F449 PolarHBondContact O-N 3.38Å; N350-F449 CarbonylContact C-O 3.58Å; N350-F449 WeakPolarHBondContact CA-O 3.41Å; N350-F449 WeakPolarHBondContact OD1-CB 3.35Å; K351-F449 PolarHBondContact N-O 3.45Å; Y447-F449 HydrophobicContact CD2-CB 4.02Å; Y447-F449 HydrophobicContact CE2-CB 3.94Å; F449-H451 HydrophobicContact CE1-CB 4.36Å; F449-H451 WeakPolarHBondContact CE1-O 3.39Å; F449-H451 HydrophobicContact CE2-CB 4.21Å; F449-H451 HydrophobicContact CZ-CB 3.89Å; F449-H451 WeakPolarHBondContact CZ-O 3.2Å; F449-V464 HydrophobicContact CD1-CG1 3.47Å; F449-V464 VanDerWaalsContact CD1-CG1 3.47Å; F449-V464 HydrophobicContact CE1-CG1 3.65Å; F449-E469 HydrophobicContact CB-CB 4.35Å; F449-E469 HydrophobicContact CD1-CB 3.56Å; F449-E469 HydrophobicContact CD2-CB 3.95Å; F449-E469 HydrophobicContact CE1-CB 3.7Å; F449-E469 HydrophobicContact CE2-CB 4.09Å; F449-E469 HydrophobicContact CG-CB 3.69Å; F449-E469 HydrophobicContact CZ-CB 3.98Å; F449-F472 HydrophobicContact CE2-CD2 4.4Å; F449-F472 HydrophobicContact CE2-CG 4.33Å; F449-F472 AromaticContact CZ-CD2 3.79Å; F449-F472 HydrophobicContact CZ-CD2 3.79Å; F449-F472 HydrophobicContact CZ-CE2 4.11Å; F449-F472 HydrophobicContact CZ-CG 4.16Å; F449-L491 HydrophobicContact CE2-CD2 4.33Å; F449-I495 HydrophobicContact CD2-CD1 4.26Å; F449-I495 HydrophobicContact CE2-CD1 3.92Å; F449-L531 HydrophobicContact CD2-CB 3.97Å
450	E	98.6	Very high	98.3	Very high	66 Å²	66	40.5 Å²	40.5	31%	0.308	22%	0.217	S	C	.	.			trans	-125.4	15	-168.5	-62.7	177.6	140.6	0	0	112.4	K351 Y448 T530 L531 N532	K351-E450 HydrophobicContact CB-CG 4.44Å; Y448-E450 VanDerWaalsContact CD1-CD 3.46Å; Y448-E450 HydrophobicContact CD1-CG 3.36Å; Y448-E450 WeakPolarHBondContact CD1-OE1 3.18Å; Y448-E450 HydrophobicContact CE1-CG 3.53Å; Y448-E450 WeakPolarHBondContact CE1-OE1 3.4Å; Y448-E450 HydrophobicContact CG-CG 4.21Å; E450-T530 WeakPolarHBondContact OE2-CB 3.39Å; E450-L531 PolarHBondContact N-O 3.38Å; E450-N532 HydrophobicContact CB-CB 4.29Å; E450-N532 PolarHBondContact OE2-ND2 3.18Å
451	H	98.8	Very high	98.4	Very high	21 Å²	21	36.4 Å²	36.4	10%	0.097	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-102	117.9	-179.5	-176.1	70.9	0	0	0	112.1	F449 V464 F472 E488 L491 N532 T533	F449-H451 HydrophobicContact CE1-CB 4.36Å; F449-H451 WeakPolarHBondContact CE1-O 3.39Å; F449-H451 HydrophobicContact CE2-CB 4.21Å; F449-H451 HydrophobicContact CZ-CB 3.89Å; F449-H451 WeakPolarHBondContact CZ-O 3.2Å; H451-V464 WeakPolarHBondContact O-CG1 3.32Å; H451-F472 AromaticContact CD2-CE1 3.79Å; H451-F472 AromaticContact CD2-CZ 3.37Å; H451-F472 WeakPolarHBondContact CD2-CZ 3.33Å; H451-F472 AromaticContact NE2-CZ 3.82Å; H451-E488 IonicContact CD2-OE1 3.44Å; H451-E488 IonicContact CE1-OE1 2.81Å; H451-E488 VanDerWaalsContact NE2-CG 3.26Å; H451-E488 WeakPolarHBondContact NE2-CG 3.49Å; H451-E488 IonicContact NE2-OE1 3.54Å; H451-E488 PolarHBondContact NE2-OE1 3.45Å; H451-L491 HydrophobicContact CB-CD2 3.65Å; H451-N532 HydrophobicContact CB-CB 4.43Å; H451-T533 VanDerWaalsContact CE1-CG2 3.44Å; H451-T533 WeakPolarHBondContact CE1-CG2 3.27Å; H451-T533 VanDerWaalsContact ND1-CG2 3.34Å; H451-T533 WeakPolarHBondContact ND1-CG2 3.43Å; H451-T533 PolarHBondContact ND1-OG1 3.23Å
452	R	98.7	Very high	98.5	Very high	44 Å²	44	33.2 Å²	33.2	17%	0.166	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-80.1	121.6	170.6	-179.4	-178.7	167.6	95.1	4.9	109.1	S454 L456 W458 P459 E460 G463 V464	R452-S454 PolarHBondContact O-N 2.81Å; R452-L456 HydrophobicContact CG-CD2 3.9Å; R452-W458 PolarHBondContact NH2-O 3.09Å; R452-P459 PolarHBondContact NH1-O 3.08Å; R452-P459 PolarHBondContact NH2-O 2.87Å; R452-E460 VanDerWaalsContact CZ-CD 3.41Å; R452-E460 IonicContact CZ-OE1 3.25Å; R452-E460 VanDerWaalsContact CZ-OE1 3.27Å; R452-E460 IonicContact CZ-OE2 3.47Å; R452-E460 VanDerWaalsContact NE-CD 3.28Å; R452-E460 IonicContact NE-OE1 3.1Å; R452-E460 PolarHBondContact NE-OE1 3.11Å; R452-E460 VanDerWaalsContact NE-OE1 3.09Å; R452-E460 IonicContact NE-OE2 3.67Å; R452-E460 PolarHBondContact NE-OE2 3.13Å; R452-E460 PolarHBondContact NH1-O 3.21Å; R452-E460 VanDerWaalsContact NH2-CA 3.25Å; R452-E460 IonicContact NH2-OE1 3.85Å; R452-E460 PolarHBondContact NH2-OE1 2.91Å; R452-E460 IonicContact NH2-OE2 3.53Å; R452-G463 PolarHBondContact NH1-O 3.3Å; R452-V464 HydrophobicContact CB-CG2 4.18Å
453	S	98.6	Very high	98.5	Very high	5 Å²	5	32.9 Å²	32.9	4%	0.035	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-56.3	132.3	176.3	-177.7	0	0	0	0	110.9	K455 L456 E471 E488	S453-K455 PolarHBondContact O-N 2.73Å; S453-K455 VanDerWaalsContact O-N 3.11Å; S453-K455 PolarHBondContact OG-N 3.34Å; S453-L456 VanDerWaalsContact O-CB 3.27Å; S453-L456 WeakPolarHBondContact O-CB 3.32Å; S453-L456 PolarHBondContact O-N 3.25Å; S453-L456 VanDerWaalsContact O-N 3.09Å; S453-E471 WeakPolarHBondContact CB-OE1 3.06Å; S453-E471 PolarHBondContact OG-OE1 2.8Å; S453-E488 WeakPolarHBondContact CA-OE1 3.44Å
454	S	98.4	Very high	98.6	Very high	69 Å²	69	29.3 Å²	29.3	48%	0.483	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-13.4	175.8	66	0	0	0	0	113.1	R452 E488	R452-S454 PolarHBondContact O-N 2.81Å; S454-E488 WeakPolarHBondContact CB-OE2 3.48Å; S454-E488 PolarHBondContact N-OE1 3.04Å; S454-E488 PolarHBondContact OG-OE1 3.19Å; S454-E488 PolarHBondContact OG-OE2 3.47Å
455	K	97.3	Very high	98.6	Very high	95 Å²	95	29.5 Å²	29.5	41%	0.413	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	5.5	178.4	-64.7	-174.6	68.3	-165.7	0	113.5	S453 P457 D482 Y484	S453-K455 PolarHBondContact O-N 2.73Å; S453-K455 VanDerWaalsContact O-N 3.11Å; S453-K455 PolarHBondContact OG-N 3.34Å; K455-P457 VanDerWaalsContact O-CD 3.27Å; K455-P457 WeakPolarHBondContact O-CD 3.38Å; K455-P457 VanDerWaalsContact O-N 3.14Å; K455-D482 VanDerWaalsContact CD-O 3.22Å; K455-D482 WeakPolarHBondContact CD-O 3.41Å; K455-D482 WeakPolarHBondContact CE-O 3.43Å; K455-D482 PolarHBondContact NZ-O 2.86Å; K455-Y484 HydrophobicContact CB-CE1 4.37Å; K455-Y484 HydrophobicContact CD-CD1 4.01Å; K455-Y484 HydrophobicContact CD-CD2 3.97Å; K455-Y484 HydrophobicContact CD-CE1 3.92Å; K455-Y484 HydrophobicContact CD-CE2 3.87Å; K455-Y484 HydrophobicContact CD-CG 4.04Å; K455-Y484 HydrophobicContact CG-CD1 4.34Å; K455-Y484 HydrophobicContact CG-CE1 4.27Å
456	L	98	Very high	98.6	Very high	19 Å²	19	30.6 Å²	30.6	10%	0.099	16%	0.157	C	C	.	.			trans	-58.6	117.4	-179.5	-173.9	65.2	0	0	0	109.5	R452 S453 W458 G463 M465 Y468	R452-L456 HydrophobicContact CG-CD2 3.9Å; S453-L456 VanDerWaalsContact O-CB 3.27Å; S453-L456 WeakPolarHBondContact O-CB 3.32Å; S453-L456 PolarHBondContact O-N 3.25Å; S453-L456 VanDerWaalsContact O-N 3.09Å; L456-W458 HydrophobicContact CD1-CB 4.44Å; L456-W458 HydrophobicContact CD2-CB 4.44Å; L456-W458 HydrophobicContact CG-CB 4.09Å; L456-W458 PolarHBondContact O-N 2.87Å; L456-G463 WeakPolarHBondContact CD2-O 3.35Å; L456-M465 HydrophobicContact CD1-SD 4.26Å; L456-M465 HydrophobicContact CD2-CG 4.49Å; L456-M465 HydrophobicContact CD2-SD 4.15Å; L456-Y468 HydrophobicContact CD1-CD1 3.27Å; L456-Y468 HydrophobicContact CD1-CD2 3.79Å; L456-Y468 HydrophobicContact CD1-CE1 3.2Å; L456-Y468 HydrophobicContact CD1-CE2 3.69Å; L456-Y468 HydrophobicContact CD1-CG 3.57Å; L456-Y468 VanDerWaalsContact CD1-CZ 3.4Å
457	P	97.9	Very high	98.5	Very high	51 Å²	51	30.7 Å²	30.7	33%	0.331	16%	0.158	S	C	.	.			trans	-76.2	-10.8	-177.4	31.4	-37.1	0	0	0	113	F104 K455	F104-P457 HydrophobicContact CE2-CB 3.84Å; F104-P457 HydrophobicContact CE2-CG 4.45Å; F104-P457 WeakPolarHBondContact CE2-O 3.42Å; F104-P457 HydrophobicContact CZ-CB 4.02Å; F104-P457 HydrophobicContact CZ-CG 4.23Å; F104-P457 WeakPolarHBondContact CZ-O 3.48Å; K455-P457 VanDerWaalsContact O-CD 3.27Å; K455-P457 WeakPolarHBondContact O-CD 3.38Å; K455-P457 VanDerWaalsContact O-N 3.14Å
458	W	98.6	Very high	98.5	Very high	9 Å²	9	31.1 Å²	31.1	3%	0.034	16%	0.16	C	C	.	.	S	Bend	trans	-80.8	151.1	178.3	-66.5	99.3	0	0	0	112.1	F101 F104 G106 V359 Y360 K367 R452 L456 M462 M465 Y468	F101-W458 AromaticContact CD2-CH2 3.93Å; F101-W458 HydrophobicContact CD2-CH2 3.93Å; F101-W458 HydrophobicContact CD2-CZ3 4.41Å; F101-W458 AromaticContact CE2-CH2 3.82Å; F101-W458 HydrophobicContact CE2-CH2 3.82Å; F101-W458 HydrophobicContact CE2-CZ3 4.13Å; F104-W458 HydrophobicContact CD1-CH2 4.29Å; F104-W458 HydrophobicContact CD1-CZ2 4.31Å; F104-W458 AromaticContact CE1-CD2 3.59Å; F104-W458 HydrophobicContact CE1-CD2 3.59Å; F104-W458 AromaticContact CE1-CE2 3.51Å; F104-W458 AromaticContact CE1-CE3 3.66Å; F104-W458 HydrophobicContact CE1-CE3 3.66Å; F104-W458 HydrophobicContact CE1-CG 4.33Å; F104-W458 AromaticContact CE1-CH2 3.69Å; F104-W458 HydrophobicContact CE1-CH2 3.69Å; F104-W458 AromaticContact CE1-CZ2 3.59Å; F104-W458 HydrophobicContact CE1-CZ2 3.59Å; F104-W458 AromaticContact CE1-CZ3 3.71Å; F104-W458 HydrophobicContact CE1-CZ3 3.71Å; F104-W458 AromaticContact CZ-CD2 3.79Å; F104-W458 HydrophobicContact CZ-CD2 3.79Å; F104-W458 AromaticContact CZ-CE3 3.98Å; F104-W458 HydrophobicContact CZ-CE3 3.98Å; F104-W458 HydrophobicContact CZ-CG 4.12Å; F104-W458 HydrophobicContact CZ-CZ3 4.45Å; G106-W458 PolarHBondContact O-NE1 2.98Å; V359-W458 HydrophobicContact CG2-CH2 4.16Å; V359-W458 HydrophobicContact CG2-CZ3 3.86Å; Y360-W458 HydrophobicContact CE2-CH2 4.44Å; K367-W458 HydrophobicContact CB-CE3 4.01Å; K367-W458 HydrophobicContact CB-CZ3 3.87Å; K367-W458 HydrophobicContact CD-CZ3 4.46Å; R452-W458 PolarHBondContact NH2-O 3.09Å; L456-W458 HydrophobicContact CD1-CB 4.44Å; L456-W458 HydrophobicContact CD2-CB 4.44Å; L456-W458 HydrophobicContact CG-CB 4.09Å; L456-W458 PolarHBondContact O-N 2.87Å; W458-M462 HydrophobicContact CB-SD 3.8Å; W458-M462 HydrophobicContact CD2-CE 4.03Å; W458-M462 HydrophobicContact CD2-SD 3.93Å; W458-M462 HydrophobicContact CE3-CE 3.65Å; W458-M462 HydrophobicContact CE3-SD 3.4Å; W458-M462 HydrophobicContact CG-SD 4.15Å; W458-M462 HydrophobicContact CZ3-CE 4.08Å; W458-M462 HydrophobicContact CZ3-SD 4.21Å; W458-M465 HydrophobicContact CB-CE 4.29Å; W458-M465 HydrophobicContact CB-SD 3.4Å; W458-M465 WeakPolarHBondContact CB-SD 3.24Å; W458-M465 VanDerWaalsContact CD1-SD 3.53Å; W458-M465 HydrophobicContact CD2-CE 3.77Å; W458-M465 HydrophobicContact CD2-SD 4.11Å; W458-M465 HydrophobicContact CG-CE 3.66Å; W458-M465 HydrophobicContact CG-SD 3.4Å; W458-M465 HydrophobicContact CZ2-CE 4.46Å; W458-Y468 AromaticContact CD1-CE2 3.9Å; W458-Y468 AromaticContact CD1-CZ 3.66Å; W458-Y468 AromaticContact NE1-CE2 3.93Å; W458-Y468 AromaticContact NE1-CZ 3.73Å; W458-Y468 PolarHBondContact NE1-OH 3.2Å
459	P	98.4	Very high	98.5	Very high	30 Å²	30	30.6 Å²	30.6	20%	0.195	16%	0.158	C	C	.	.			trans	-61.6	157.6	-176.4	27.5	-39	0	0	0	114	K367 R452 W461 M462	K367-P459 WeakPolarHBondContact O-CD 3.19Å; K367-P459 VanDerWaalsContact O-CG 3.31Å; K367-P459 WeakPolarHBondContact O-CG 3.45Å; R452-P459 PolarHBondContact NH1-O 3.08Å; R452-P459 PolarHBondContact NH2-O 2.87Å; P459-W461 HydrophobicContact CG-CG 4.48Å; P459-W461 HydrophobicContact CG-CZ2 4.48Å; P459-W461 PolarHBondContact O-N 3.11Å; P459-M462 HydrophobicContact CG-CG 3.99Å; P459-M462 HydrophobicContact CG-SD 3.72Å; P459-M462 PolarHBondContact O-N 3.09Å; P459-M462 VanDerWaalsContact O-N 3.08Å
460	E	98.4	Very high	98.5	Very high	144 Å²	144	30.6 Å²	30.6	67%	0.673	16%	0.158	S	C	*	.	G	3₁₀ helix	trans	-53.9	-36.9	-177.1	-70.1	-58.6	132.7	0	0	114	R452 M462 G463	R452-E460 VanDerWaalsContact CZ-CD 3.41Å; R452-E460 IonicContact CZ-OE1 3.25Å; R452-E460 VanDerWaalsContact CZ-OE1 3.27Å; R452-E460 IonicContact CZ-OE2 3.47Å; R452-E460 VanDerWaalsContact NE-CD 3.28Å; R452-E460 IonicContact NE-OE1 3.1Å; R452-E460 PolarHBondContact NE-OE1 3.11Å; R452-E460 VanDerWaalsContact NE-OE1 3.09Å; R452-E460 IonicContact NE-OE2 3.67Å; R452-E460 PolarHBondContact NE-OE2 3.13Å; R452-E460 PolarHBondContact NH1-O 3.21Å; R452-E460 VanDerWaalsContact NH2-CA 3.25Å; R452-E460 IonicContact NH2-OE1 3.85Å; R452-E460 PolarHBondContact NH2-OE1 2.91Å; R452-E460 IonicContact NH2-OE2 3.53Å; E460-M462 PolarHBondContact O-N 3.23Å; E460-M462 VanDerWaalsContact O-N 3.13Å; E460-G463 PolarHBondContact O-N 3.45Å; E460-G463 VanDerWaalsContact O-N 3.11Å
461	W	98.4	Very high	98.5	Very high	29 Å²	29	28.1 Å²	28.1	11%	0.11	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-63.8	-21.5	-178.5	73.3	-101.9	0	0	0	113.8	T355 L358 V359 F365 S366 N369 S371 R414 P459 G463	T355-W461 HydrophobicContact CG2-CZ3 4.3Å; L358-W461 HydrophobicContact CD1-CZ3 4.27Å; V359-W461 HydrophobicContact CG1-CH2 3.73Å; V359-W461 HydrophobicContact CG1-CZ2 3.59Å; F365-W461 AromaticContact CD1-CH2 3.51Å; F365-W461 HydrophobicContact CD1-CH2 3.51Å; F365-W461 HydrophobicContact CD1-CZ2 4.13Å; F365-W461 AromaticContact CD1-CZ3 3.77Å; F365-W461 HydrophobicContact CD1-CZ3 3.77Å; F365-W461 HydrophobicContact CE1-CH2 4.1Å; F365-W461 AromaticContact CE1-CZ3 3.86Å; F365-W461 HydrophobicContact CE1-CZ3 3.86Å; S366-W461 PolarHBondContact O-NE1 2.78Å; N369-W461 PolarHBondContact O-NE1 2.95Å; S371-W461 WeakPolarHBondContact OG-CZ2 3.23Å; S371-W461 PolarHBondContact OG-NE1 3.19Å; R414-W461 HydrophobicContact CG-CE3 4.2Å; P459-W461 HydrophobicContact CG-CG 4.48Å; P459-W461 HydrophobicContact CG-CZ2 4.48Å; P459-W461 PolarHBondContact O-N 3.11Å; W461-G463 VanDerWaalsContact C-N 3.26Å; W461-G463 PolarHBondContact O-N 2.71Å
462	M	98.8	Very high	98.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-78.4	-10.4	179.6	-64.5	178.6	80	0	0	113.1	D352 T355 V359 W458 P459 E460 M465	D352-M462 WeakPolarHBondContact CB-O 3.32Å; T355-M462 WeakPolarHBondContact O-CE 3.48Å; T355-M462 PolarHBondContact OG1-O 2.84Å; V359-M462 HydrophobicContact CG1-CE 4.18Å; V359-M462 HydrophobicContact CG1-SD 4.37Å; V359-M462 HydrophobicContact CG2-CE 4.22Å; W458-M462 HydrophobicContact CB-SD 3.8Å; W458-M462 HydrophobicContact CD2-CE 4.03Å; W458-M462 HydrophobicContact CD2-SD 3.93Å; W458-M462 HydrophobicContact CE3-CE 3.65Å; W458-M462 HydrophobicContact CE3-SD 3.4Å; W458-M462 HydrophobicContact CG-SD 4.15Å; W458-M462 HydrophobicContact CZ3-CE 4.08Å; W458-M462 HydrophobicContact CZ3-SD 4.21Å; P459-M462 HydrophobicContact CG-CG 3.99Å; P459-M462 HydrophobicContact CG-SD 3.72Å; P459-M462 PolarHBondContact O-N 3.09Å; P459-M462 VanDerWaalsContact O-N 3.08Å; E460-M462 PolarHBondContact O-N 3.23Å; E460-M462 VanDerWaalsContact O-N 3.13Å; M462-M465 HydrophobicContact CB-CG 3.77Å; M462-M465 HydrophobicContact CB-SD 3.65Å; M462-M465 HydrophobicContact CE-CE 3.32Å; M462-M465 HydrophobicContact CE-SD 3.76Å; M462-M465 HydrophobicContact CG-SD 4.44Å; M462-M465 WeakPolarHBondContact O-CG 3.47Å; M462-M465 HydrophobicContact SD-CE 4.34Å; M462-M465 HydrophobicContact SD-SD 4.1Å
463	G	98.7	Very high	98.5	Very high	13 Å²	13	25.1 Å²	25.1	13%	0.134	13%	0.134	C	C	.	.			trans	62.4	-135.2	171.1	0	0	0	0	0	114.1	D352 R452 L456 E460 W461	D352-G463 WeakPolarHBondContact OD2-CA 3.32Å; R452-G463 PolarHBondContact NH1-O 3.3Å; L456-G463 WeakPolarHBondContact CD2-O 3.35Å; E460-G463 PolarHBondContact O-N 3.45Å; E460-G463 VanDerWaalsContact O-N 3.11Å; W461-G463 VanDerWaalsContact C-N 3.26Å; W461-G463 PolarHBondContact O-N 2.71Å
464	V	98.8	Very high	98.6	Very high	6 Å²	6	24.9 Å²	24.9	4%	0.036	13%	0.133	C	C	.	.	S	Bend	trans	-97.5	83.1	179.6	-168.6	0	0	0	0	109.1	N350 K351 D352 F449 H451 R452	N350-V464 HydrophobicContact CB-CG1 4.34Å; K351-V464 HydrophobicContact CB-CB 4.02Å; K351-V464 HydrophobicContact CB-CG2 4.17Å; K351-V464 HydrophobicContact CD-CG2 4.36Å; D352-V464 CarbonylContact C-O 3.59Å; D352-V464 PolarHBondContact N-O 3.21Å; D352-V464 PolarHBondContact OD2-N 2.56Å; F449-V464 HydrophobicContact CD1-CG1 3.47Å; F449-V464 VanDerWaalsContact CD1-CG1 3.47Å; F449-V464 HydrophobicContact CE1-CG1 3.65Å; H451-V464 WeakPolarHBondContact O-CG1 3.32Å; R452-V464 HydrophobicContact CB-CG2 4.18Å
465	M	98.8	Very high	98.6	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.015	11%	0.11	C	C	.	.	B	Isolated β-bridge	trans	-66.7	159.3	-170.3	-68.4	174.7	62.1	0	0	114.3	N350 A356 L456 W458 M462 Y468	N350-M465 PolarHBondContact ND2-O 2.71Å; A356-M465 HydrophobicContact CB-CE 3.74Å; L456-M465 HydrophobicContact CD1-SD 4.26Å; L456-M465 HydrophobicContact CD2-CG 4.49Å; L456-M465 HydrophobicContact CD2-SD 4.15Å; W458-M465 HydrophobicContact CB-CE 4.29Å; W458-M465 HydrophobicContact CB-SD 3.4Å; W458-M465 WeakPolarHBondContact CB-SD 3.24Å; W458-M465 VanDerWaalsContact CD1-SD 3.53Å; W458-M465 HydrophobicContact CD2-CE 3.77Å; W458-M465 HydrophobicContact CD2-SD 4.11Å; W458-M465 HydrophobicContact CG-CE 3.66Å; W458-M465 HydrophobicContact CG-SD 3.4Å; W458-M465 HydrophobicContact CZ2-CE 4.46Å; M462-M465 HydrophobicContact CB-CG 3.77Å; M462-M465 HydrophobicContact CB-SD 3.65Å; M462-M465 HydrophobicContact CE-CE 3.32Å; M462-M465 HydrophobicContact CE-SD 3.76Å; M462-M465 HydrophobicContact CG-SD 4.44Å; M462-M465 WeakPolarHBondContact O-CG 3.47Å; M462-M465 HydrophobicContact SD-CE 4.34Å; M462-M465 HydrophobicContact SD-SD 4.1Å; M465-Y468 HydrophobicContact CB-CD2 3.55Å; M465-Y468 HydrophobicContact CB-CE2 4.08Å; M465-Y468 HydrophobicContact CB-CG 4.48Å; M465-Y468 HydrophobicContact CE-CE2 3.98Å; M465-Y468 PolarHBondContact O-N 2.88Å; M465-Y468 HydrophobicContact SD-CD2 4.5Å; M465-Y468 HydrophobicContact SD-CE2 4.19Å
466	H	98.9	Very high	98.6	Very high	24 Å²	24	17.3 Å²	17.3	11%	0.111	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49	134.1	166.5	-171.2	69.6	0	0	0	112.3	E225 S226 E353 A356 F357 F426 Y468	E225-H466 IonicContact OE1-CD2 3.62Å; E225-H466 IonicContact OE1-CE1 3.61Å; E225-H466 PolarHBondContact OE1-CE1 3.08Å; E225-H466 IonicContact OE1-CG 3.63Å; E225-H466 IonicContact OE1-ND1 2.76Å; E225-H466 IonicContact OE1-NE2 2.71Å; E225-H466 PolarHBondContact OE1-NE2 2.87Å; S226-H466 WeakPolarHBondContact CB-NE2 3.41Å; S226-H466 PolarHBondContact OG-CE1 3.16Å; S226-H466 PolarHBondContact OG-NE2 2.84Å; E353-H466 VanDerWaalsContact OE2-CA 3.31Å; E353-H466 WeakPolarHBondContact OE2-CA 3.28Å; E353-H466 WeakPolarHBondContact OE2-CB 3.18Å; E353-H466 IonicContact OE2-CE1 3.48Å; E353-H466 IonicContact OE2-CG 3.57Å; E353-H466 IonicContact OE2-ND1 2.69Å; E353-H466 PolarHBondContact OE2-ND1 3.33Å; A356-H466 HydrophobicContact CB-CB 4.26Å; F357-H466 HydrophobicContact CE2-CB 4.19Å; F357-H466 HydrophobicContact CZ-CB 4.39Å; F357-H466 AromaticContact CZ-CD2 3.68Å; F426-H466 AromaticContact CD1-CE1 3.91Å; F426-H466 AromaticContact CE1-CE1 3.34Å; F426-H466 WeakPolarHBondContact CE1-CE1 3.4Å; F426-H466 AromaticContact CE1-ND1 3.9Å; F426-H466 AromaticContact CE1-NE2 3.99Å; F426-H466 AromaticContact CZ-CE1 3.67Å; F426-H466 AromaticContact CZ-ND1 3.98Å; H466-Y468 VanDerWaalsContact C-N 3.28Å; H466-Y468 WeakPolarHBondContact O-CD2 3.38Å; H466-Y468 PolarHBondContact O-N 3.14Å
467	G	98.5	Very high	98.7	Very high	3 Å²	3	16.5 Å²	16.5	3%	0.031	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	-6.9	177.1	0	0	0	0	0	117	E225 E469 I470	E225-G467 WeakPolarHBondContact OE1-CA 3.04Å; E225-G467 PolarHBondContact OE1-N 3.02Å; G467-E469 VanDerWaalsContact C-N 3.34Å; G467-E469 VanDerWaalsContact C-OE2 3.26Å; G467-E469 WeakPolarHBondContact CA-OE2 3.22Å; G467-E469 PolarHBondContact O-N 2.98Å; G467-I470 VanDerWaalsContact O-CB 3.28Å; G467-I470 WeakPolarHBondContact O-CB 3.31Å; G467-I470 VanDerWaalsContact O-CD1 3.32Å; G467-I470 WeakPolarHBondContact O-CD1 3.38Å; G467-I470 WeakPolarHBondContact O-CG1 3.28Å; G467-I470 PolarHBondContact O-N 3.17Å
468	Y	98.8	Very high	98.7	Very high	9 Å²	9	14.4 Å²	14.4	4%	0.035	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-0.5	-176.7	-80.1	-84	0	0	0	115	G106 M109 W110 L456 W458 M465 H466	G106-Y468 PolarHBondContact O-OH 2.89Å; M109-Y468 HydrophobicContact CE-CE1 4.23Å; M109-Y468 HydrophobicContact SD-CE1 3.93Å; M109-Y468 PolarHBondContact SD-OH 3.35Å; M109-Y468 VanDerWaalsContact SD-OH 3.38Å; W110-Y468 HydrophobicContact CZ2-CE2 4.36Å; L456-Y468 HydrophobicContact CD1-CD1 3.27Å; L456-Y468 HydrophobicContact CD1-CD2 3.79Å; L456-Y468 HydrophobicContact CD1-CE1 3.2Å; L456-Y468 HydrophobicContact CD1-CE2 3.69Å; L456-Y468 HydrophobicContact CD1-CG 3.57Å; L456-Y468 VanDerWaalsContact CD1-CZ 3.4Å; W458-Y468 AromaticContact CD1-CE2 3.9Å; W458-Y468 AromaticContact CD1-CZ 3.66Å; W458-Y468 AromaticContact NE1-CE2 3.93Å; W458-Y468 AromaticContact NE1-CZ 3.73Å; W458-Y468 PolarHBondContact NE1-OH 3.2Å; M465-Y468 HydrophobicContact CB-CD2 3.55Å; M465-Y468 HydrophobicContact CB-CE2 4.08Å; M465-Y468 HydrophobicContact CB-CG 4.48Å; M465-Y468 HydrophobicContact CE-CE2 3.98Å; M465-Y468 PolarHBondContact O-N 2.88Å; M465-Y468 HydrophobicContact SD-CD2 4.5Å; M465-Y468 HydrophobicContact SD-CE2 4.19Å; H466-Y468 VanDerWaalsContact C-N 3.28Å; H466-Y468 WeakPolarHBondContact O-CD2 3.38Å; H466-Y468 PolarHBondContact O-N 3.14Å
469	E	98.9	Very high	98.5	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.009	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-21.3	166.4	87.6	-61.9	166.2	0	0	112.1	E225 Q251 N350 F449 G467 E471 F472 V473	E225-E469 VanDerWaalsContact CG-OE1 3.32Å; E225-E469 WeakPolarHBondContact CG-OE1 3.4Å; Q251-E469 WeakPolarHBondContact CB-OE1 3.47Å; Q251-E469 PolarHBondContact NE2-OE1 3.21Å; N350-E469 PolarHBondContact ND2-OE2 3.46Å; F449-E469 HydrophobicContact CB-CB 4.35Å; F449-E469 HydrophobicContact CD1-CB 3.56Å; F449-E469 HydrophobicContact CD2-CB 3.95Å; F449-E469 HydrophobicContact CE1-CB 3.7Å; F449-E469 HydrophobicContact CE2-CB 4.09Å; F449-E469 HydrophobicContact CG-CB 3.69Å; F449-E469 HydrophobicContact CZ-CB 3.98Å; G467-E469 VanDerWaalsContact C-N 3.34Å; G467-E469 VanDerWaalsContact C-OE2 3.26Å; G467-E469 WeakPolarHBondContact CA-OE2 3.22Å; G467-E469 PolarHBondContact O-N 2.98Å; E469-E471 VanDerWaalsContact C-N 3.32Å; E469-E471 PolarHBondContact O-N 2.82Å; E469-F472 WeakPolarHBondContact O-CB 3.47Å; E469-F472 PolarHBondContact O-N 2.76Å; E469-V473 PolarHBondContact O-N 2.83Å
470	I	98.9	Very high	98.2	Very high	1 Å²	1	22 Å²	22	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-54.4	-46.7	-178	-63.6	176.5	0	0	0	111.1	W110 W140 V155 Y156 E225 G467 F472 V473 F474	W110-I470 HydrophobicContact CH2-CD1 4.03Å; W110-I470 HydrophobicContact CZ3-CD1 4.09Å; W140-I470 HydrophobicContact CH2-CD1 4.2Å; W140-I470 HydrophobicContact CH2-CG1 4.29Å; W140-I470 HydrophobicContact CH2-CG2 4.47Å; W140-I470 HydrophobicContact CZ2-CD1 4.34Å; V155-I470 HydrophobicContact CB-CG2 4.26Å; Y156-I470 HydrophobicContact CD1-CG2 3.66Å; Y156-I470 HydrophobicContact CE1-CD1 3.87Å; Y156-I470 HydrophobicContact CE1-CG2 3.58Å; E225-I470 HydrophobicContact CB-CD1 3.85Å; E225-I470 HydrophobicContact CB-CG1 4.13Å; E225-I470 HydrophobicContact CG-CD1 3.69Å; E225-I470 HydrophobicContact CG-CG1 3.9Å; G467-I470 VanDerWaalsContact O-CB 3.28Å; G467-I470 WeakPolarHBondContact O-CB 3.31Å; G467-I470 VanDerWaalsContact O-CD1 3.32Å; G467-I470 WeakPolarHBondContact O-CD1 3.38Å; G467-I470 WeakPolarHBondContact O-CG1 3.28Å; G467-I470 PolarHBondContact O-N 3.17Å; I470-F472 PolarHBondContact O-N 2.89Å; I470-V473 WeakPolarHBondContact O-CB 3.24Å; I470-V473 PolarHBondContact O-N 2.87Å; I470-F474 HydrophobicContact CG2-CD2 3.67Å; I470-F474 HydrophobicContact CG2-CE2 3.96Å; I470-F474 WeakPolarHBondContact O-CD2 3.27Å; I470-F474 PolarHBondContact O-N 2.82Å
471	E	98.7	Very high	97.9	Very high	13 Å²	13	24.2 Å²	24.2	6%	0.061	10%	0.102	C	C	.	.	H	α-helix	trans	-61.5	-30.5	-178.1	62.5	-175.1	-131.5	0	0	112.6	S453 E469 G475 L476 P477 Y484	S453-E471 WeakPolarHBondContact CB-OE1 3.06Å; S453-E471 PolarHBondContact OG-OE1 2.8Å; E469-E471 VanDerWaalsContact C-N 3.32Å; E469-E471 PolarHBondContact O-N 2.82Å; E471-G475 PolarHBondContact O-N 3.1Å; E471-G475 VanDerWaalsContact O-N 3.15Å; E471-L476 HydrophobicContact CB-CB 4.3Å; E471-L476 HydrophobicContact CB-CD1 3.77Å; E471-L476 PolarHBondContact O-N 2.85Å; E471-P477 WeakPolarHBondContact O-CD 3.41Å; E471-Y484 VanDerWaalsContact OE1-CE1 3.24Å; E471-Y484 WeakPolarHBondContact OE1-CE1 3.07Å; E471-Y484 PolarHBondContact OE1-OH 2.94Å; E471-Y484 PolarHBondContact OE2-OH 2.98Å
472	F	98.9	Very high	97.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-74.8	-38.3	174	-69.1	-97.2	0	0	0	112.2	F449 H451 E469 I470 G475 P477 E488 L491 S492 I495	F449-F472 HydrophobicContact CE2-CD2 4.4Å; F449-F472 HydrophobicContact CE2-CG 4.33Å; F449-F472 AromaticContact CZ-CD2 3.79Å; F449-F472 HydrophobicContact CZ-CD2 3.79Å; F449-F472 HydrophobicContact CZ-CE2 4.11Å; F449-F472 HydrophobicContact CZ-CG 4.16Å; H451-F472 AromaticContact CD2-CE1 3.79Å; H451-F472 AromaticContact CD2-CZ 3.37Å; H451-F472 WeakPolarHBondContact CD2-CZ 3.33Å; H451-F472 AromaticContact NE2-CZ 3.82Å; E469-F472 WeakPolarHBondContact O-CB 3.47Å; E469-F472 PolarHBondContact O-N 2.76Å; I470-F472 PolarHBondContact O-N 2.89Å; F472-G475 PolarHBondContact O-N 2.81Å; F472-P477 HydrophobicContact CD1-CG 4Å; F472-P477 HydrophobicContact CE1-CG 3.99Å; F472-P477 HydrophobicContact CG-CG 4.38Å; F472-P477 HydrophobicContact CZ-CG 4.36Å; F472-E488 HydrophobicContact CE1-CB 3.77Å; F472-E488 HydrophobicContact CE1-CG 3.79Å; F472-E488 HydrophobicContact CZ-CB 4.26Å; F472-E488 HydrophobicContact CZ-CG 3.92Å; F472-L491 HydrophobicContact CD1-CD2 4Å; F472-L491 HydrophobicContact CD1-CG 4.08Å; F472-L491 HydrophobicContact CE1-CD2 3.95Å; F472-L491 HydrophobicContact CE1-CG 4.4Å; F472-S492 PolarHBondContact O-OG 3.26Å; F472-I495 HydrophobicContact CB-CD1 3.96Å
473	V	98.9	Very high	97.3	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.012	14%	0.144	C	C	.	.	H	α-helix	trans	-65.6	-42.7	175.8	173	0	0	0	0	111.3	F223 E469 I470 G475 I495 V496 W499	F223-V473 HydrophobicContact CD2-CG1 4.33Å; F223-V473 HydrophobicContact CE2-CG1 4.13Å; E469-V473 PolarHBondContact O-N 2.83Å; I470-V473 WeakPolarHBondContact O-CB 3.24Å; I470-V473 PolarHBondContact O-N 2.87Å; V473-G475 VanDerWaalsContact C-N 3.3Å; V473-G475 PolarHBondContact O-N 2.93Å; V473-I495 HydrophobicContact CB-CG2 4.35Å; V473-I495 HydrophobicContact CG2-CG2 3.72Å; V473-V496 WeakPolarHBondContact O-CG2 3.42Å; V473-W499 HydrophobicContact CG1-CG 4.27Å; V473-W499 HydrophobicContact CG2-CZ2 3.94Å
474	F	98.8	Very high	97.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-79.2	-12.5	179.4	-83.7	-94.2	0	0	0	113.6	W140 V155 Y156 F160 L161 F223 I470 L476	W140-F474 HydrophobicContact CB-CZ 4.15Å; W140-F474 AromaticContact CD2-CE2 3.88Å; W140-F474 HydrophobicContact CD2-CE2 3.88Å; W140-F474 AromaticContact CD2-CZ 3.55Å; W140-F474 HydrophobicContact CD2-CZ 3.55Å; W140-F474 AromaticContact CE3-CE2 3.78Å; W140-F474 HydrophobicContact CE3-CE2 3.78Å; W140-F474 AromaticContact CE3-CZ 3.77Å; W140-F474 HydrophobicContact CE3-CZ 3.77Å; W140-F474 AromaticContact CG-CZ 3.72Å; W140-F474 HydrophobicContact CG-CZ 3.72Å; W140-F474 HydrophobicContact CH2-CE2 4.09Å; W140-F474 HydrophobicContact CZ2-CE2 4.21Å; W140-F474 AromaticContact CZ3-CE2 3.88Å; W140-F474 HydrophobicContact CZ3-CE2 3.88Å; W140-F474 HydrophobicContact CZ3-CZ 4.35Å; V155-F474 VanDerWaalsContact O-CB 3.31Å; V155-F474 WeakPolarHBondContact O-CB 3.35Å; V155-F474 WeakPolarHBondContact O-CD2 3.42Å; V155-F474 VanDerWaalsContact O-CG 3.22Å; V155-F474 WeakPolarHBondContact O-CG 3.05Å; Y156-F474 VanDerWaalsContact C-CD1 3.43Å; Y156-F474 VanDerWaalsContact C-CE1 3.47Å; Y156-F474 HydrophobicContact CD1-CE2 4.14Å; Y156-F474 HydrophobicContact CD1-CZ 4.39Å; Y156-F474 WeakPolarHBondContact O-CE1 3.41Å; F160-F474 WeakPolarHBondContact CB-O 3.48Å; L161-F474 HydrophobicContact CD1-CD1 3.93Å; L161-F474 HydrophobicContact CD1-CE1 4.25Å; L161-F474 HydrophobicContact CD1-CG 4.28Å; F223-F474 HydrophobicContact CE2-CE1 4.5Å; F223-F474 AromaticContact CE2-CE2 3.8Å; F223-F474 HydrophobicContact CE2-CE2 3.8Å; F223-F474 AromaticContact CE2-CZ 3.72Å; F223-F474 HydrophobicContact CE2-CZ 3.72Å; F223-F474 HydrophobicContact CZ-CE1 4.15Å; F223-F474 HydrophobicContact CZ-CE2 4.21Å; F223-F474 AromaticContact CZ-CZ 3.63Å; F223-F474 HydrophobicContact CZ-CZ 3.63Å; I470-F474 HydrophobicContact CG2-CD2 3.67Å; I470-F474 HydrophobicContact CG2-CE2 3.96Å; I470-F474 WeakPolarHBondContact O-CD2 3.27Å; I470-F474 PolarHBondContact O-N 2.82Å; F474-L476 HydrophobicContact CB-CD1 4.04Å
475	G	98.6	Very high	97.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.8	21.9	172.8	0	0	0	0	0	114.7	E471 F472 V473 L478 S492	E471-G475 PolarHBondContact O-N 3.1Å; E471-G475 VanDerWaalsContact O-N 3.15Å; F472-G475 PolarHBondContact O-N 2.81Å; V473-G475 VanDerWaalsContact C-N 3.3Å; V473-G475 PolarHBondContact O-N 2.93Å; G475-L478 WeakPolarHBondContact O-CB 3.32Å; G475-L478 VanDerWaalsContact O-CG 3.28Å; G475-L478 WeakPolarHBondContact O-CG 3.41Å; G475-L478 PolarHBondContact O-N 2.82Å; G475-L478 VanDerWaalsContact O-N 3.07Å; G475-S492 WeakPolarHBondContact CA-OG 3.39Å
476	L	98.4	Very high	97.2	Very high	5 Å²	5	40.5 Å²	40.5	3%	0.026	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-57.4	-42.6	176.5	-75.7	104.6	0	0	0	112.6	H154 F160 E471 F474 L478 E479 Y484	H154-L476 VanDerWaalsContact NE2-CD2 3.33Å; H154-L476 WeakPolarHBondContact NE2-CD2 3.3Å; F160-L476 HydrophobicContact CE2-CG 4.28Å; E471-L476 HydrophobicContact CB-CB 4.3Å; E471-L476 HydrophobicContact CB-CD1 3.77Å; E471-L476 PolarHBondContact O-N 2.85Å; F474-L476 HydrophobicContact CB-CD1 4.04Å; L476-L478 PolarHBondContact O-N 3.15Å; L476-E479 PolarHBondContact O-N 2.81Å; L476-Y484 HydrophobicContact CB-CE2 4.32Å
477	P	98.6	Very high	97.2	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.019	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-61.3	-7.7	175.8	-25.5	35.5	0	0	0	115.5	E471 F472 E479 Y484 E488 E489	E471-P477 WeakPolarHBondContact O-CD 3.41Å; F472-P477 HydrophobicContact CD1-CG 4Å; F472-P477 HydrophobicContact CE1-CG 3.99Å; F472-P477 HydrophobicContact CG-CG 4.38Å; F472-P477 HydrophobicContact CZ-CG 4.36Å; P477-E479 VanDerWaalsContact C-N 3.33Å; P477-Y484 HydrophobicContact CB-CD1 4.1Å; P477-Y484 HydrophobicContact CB-CD2 4.14Å; P477-Y484 HydrophobicContact CB-CG 3.81Å; P477-Y484 HydrophobicContact CG-CD1 3.88Å; P477-Y484 HydrophobicContact CG-CD2 4.25Å; P477-Y484 HydrophobicContact CG-CE1 3.97Å; P477-Y484 HydrophobicContact CG-CE2 4.33Å; P477-Y484 HydrophobicContact CG-CG 4.01Å; P477-E488 HydrophobicContact CB-CB 4.21Å; P477-E489 WeakPolarHBondContact O-CB 3.33Å
478	L	98.1	Very high	97.2	Very high	7 Å²	7	41.3 Å²	41.3	4%	0.037	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-76.9	-20.4	174.3	-53	-178.8	0	0	0	112.5	F49 V164 G475 L476 R480 E489 R493	F49-L478 WeakPolarHBondContact CE1-O 2.97Å; F49-L478 HydrophobicContact CE2-CB 3.78Å; F49-L478 HydrophobicContact CE2-CD1 4.39Å; F49-L478 HydrophobicContact CZ-CB 3.53Å; V164-L478 HydrophobicContact CG2-CD1 3.92Å; G475-L478 WeakPolarHBondContact O-CB 3.32Å; G475-L478 VanDerWaalsContact O-CG 3.28Å; G475-L478 WeakPolarHBondContact O-CG 3.41Å; G475-L478 PolarHBondContact O-N 2.82Å; G475-L478 VanDerWaalsContact O-N 3.07Å; L476-L478 PolarHBondContact O-N 3.15Å; L478-R480 PolarHBondContact O-N 2.82Å; L478-E489 HydrophobicContact CD2-CG 4.12Å; L478-E489 WeakPolarHBondContact CD2-O 3.08Å; L478-R493 HydrophobicContact CD2-CB 3.84Å
479	E	96.1	Very high	97.2	Very high	25 Å²	25	41.8 Å²	41.8	12%	0.117	20%	0.195	C	C	.	.			trans	-82.8	101.3	173.3	-179.5	57	-102.4	0	0	110.4	F49 F160 L476 P477 R481 D482	F49-E479 HydrophobicContact CE1-CB 4.13Å; F49-E479 HydrophobicContact CZ-CB 4.45Å; F160-E479 HydrophobicContact CE1-CB 4.32Å; F160-E479 HydrophobicContact CZ-CB 4.31Å; L476-E479 PolarHBondContact O-N 2.81Å; P477-E479 VanDerWaalsContact C-N 3.33Å; E479-R481 HydrophobicContact CG-CB 4.27Å; E479-R481 PolarHBondContact O-N 2.79Å; E479-R481 VanDerWaalsContact O-N 3.09Å; E479-R481 WeakPolarHBondContact OE1-CB 3.47Å; E479-R481 WeakPolarHBondContact OE1-CG 3.17Å; E479-R481 IonicContact OE1-CZ 3.52Å; E479-R481 PolarHBondContact OE1-N 2.92Å; E479-R481 IonicContact OE1-NE 2.73Å; E479-R481 PolarHBondContact OE1-NE 3.45Å; E479-R481 IonicContact OE1-NH2 3.69Å; E479-R481 PolarHBondContact OE1-NH2 2.95Å; E479-R481 IonicContact OE2-CZ 2.96Å; E479-R481 IonicContact OE2-NE 3.64Å; E479-R481 IonicContact OE2-NH2 3.39Å; E479-R481 PolarHBondContact OE2-NH2 2.83Å; E479-D482 WeakPolarHBondContact CB-OD2 3.18Å; E479-D482 VanDerWaalsContact CG-OD2 3.24Å; E479-D482 WeakPolarHBondContact CG-OD2 3.17Å; E479-D482 PolarHBondContact O-N 3.15Å
480	R	91.2	Very high	97.1	Very high	173 Å²	173	46.7 Å²	46.7	65%	0.653	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-63.9	-17.9	-175.8	-66.7	-171.8	177	173	9.3	114.1	L478 D482 K486 E489	L478-R480 PolarHBondContact O-N 2.82Å; R480-D482 PolarHBondContact O-N 3.14Å; R480-K486 VanDerWaalsContact NH2-NZ 3.11Å; R480-E489 IonicContact CZ-OE1 3Å; R480-E489 IonicContact CZ-OE2 2.87Å; R480-E489 IonicContact NE-OE1 3.56Å; R480-E489 PolarHBondContact NE-OE1 2.85Å; R480-E489 IonicContact NE-OE2 3.41Å; R480-E489 PolarHBondContact NE-OE2 2.82Å; R480-E489 VanDerWaalsContact NE-OE2 3.1Å; R480-E489 IonicContact NH2-OE1 3.7Å; R480-E489 PolarHBondContact NH2-OE1 3.09Å; R480-E489 IonicContact NH2-OE2 3.79Å
481	R	93.3	Very high	97	Very high	191 Å²	191	47.1 Å²	47.1	72%	0.721	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-74.3	-15.9	176.5	-68.7	177.2	-75.9	167.9	1.1	113	E479 N483	E479-R481 HydrophobicContact CG-CB 4.27Å; E479-R481 PolarHBondContact O-N 2.79Å; E479-R481 VanDerWaalsContact O-N 3.09Å; E479-R481 WeakPolarHBondContact OE1-CB 3.47Å; E479-R481 WeakPolarHBondContact OE1-CG 3.17Å; E479-R481 IonicContact OE1-CZ 3.52Å; E479-R481 PolarHBondContact OE1-N 2.92Å; E479-R481 IonicContact OE1-NE 2.73Å; E479-R481 PolarHBondContact OE1-NE 3.45Å; E479-R481 IonicContact OE1-NH2 3.69Å; E479-R481 PolarHBondContact OE1-NH2 2.95Å; E479-R481 IonicContact OE2-CZ 2.96Å; E479-R481 IonicContact OE2-NE 3.64Å; E479-R481 IonicContact OE2-NH2 3.39Å; E479-R481 PolarHBondContact OE2-NH2 2.83Å; R481-N483 VanDerWaalsContact C-N 3.32Å; R481-N483 PolarHBondContact O-N 3.2Å
482	D	90.9	Very high	97	Very high	53 Å²	53	46.5 Å²	46.5	28%	0.283	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-92.7	15	-174.9	-62.4	-26.1	0	0	0	113.2	K455 E479 R480 Y484	K455-D482 VanDerWaalsContact CD-O 3.22Å; K455-D482 WeakPolarHBondContact CD-O 3.41Å; K455-D482 WeakPolarHBondContact CE-O 3.43Å; K455-D482 PolarHBondContact NZ-O 2.86Å; E479-D482 WeakPolarHBondContact CB-OD2 3.18Å; E479-D482 VanDerWaalsContact CG-OD2 3.24Å; E479-D482 WeakPolarHBondContact CG-OD2 3.17Å; E479-D482 PolarHBondContact O-N 3.15Å; R480-D482 PolarHBondContact O-N 3.14Å; D482-Y484 VanDerWaalsContact C-N 3.28Å; D482-Y484 HydrophobicContact CB-CD2 4.19Å; D482-Y484 HydrophobicContact CB-CE2 4.34Å; D482-Y484 PolarHBondContact O-N 3.03Å
483	N	93.3	Very high	97	Very high	133 Å²	133	51.9 Å²	51.9	71%	0.711	24%	0.24	S	C	*	.			trans	57.7	26.8	171.2	-63.4	-23.1	0	0	0	116.4	R481	R481-N483 VanDerWaalsContact C-N 3.32Å; R481-N483 PolarHBondContact O-N 3.2Å
484	Y	98.1	Very high	96.9	Very high	34 Å²	34	53 Å²	53	13%	0.133	25%	0.248	C	C	.	.			trans	-70	154.8	163.8	-74.9	-83.2	0	0	0	111.2	K455 E471 L476 P477 D482 E488	K455-Y484 HydrophobicContact CB-CE1 4.37Å; K455-Y484 HydrophobicContact CD-CD1 4.01Å; K455-Y484 HydrophobicContact CD-CD2 3.97Å; K455-Y484 HydrophobicContact CD-CE1 3.92Å; K455-Y484 HydrophobicContact CD-CE2 3.87Å; K455-Y484 HydrophobicContact CD-CG 4.04Å; K455-Y484 HydrophobicContact CG-CD1 4.34Å; K455-Y484 HydrophobicContact CG-CE1 4.27Å; E471-Y484 VanDerWaalsContact OE1-CE1 3.24Å; E471-Y484 WeakPolarHBondContact OE1-CE1 3.07Å; E471-Y484 PolarHBondContact OE1-OH 2.94Å; E471-Y484 PolarHBondContact OE2-OH 2.98Å; L476-Y484 HydrophobicContact CB-CE2 4.32Å; P477-Y484 HydrophobicContact CB-CD1 4.1Å; P477-Y484 HydrophobicContact CB-CD2 4.14Å; P477-Y484 HydrophobicContact CB-CG 3.81Å; P477-Y484 HydrophobicContact CG-CD1 3.88Å; P477-Y484 HydrophobicContact CG-CD2 4.25Å; P477-Y484 HydrophobicContact CG-CE1 3.97Å; P477-Y484 HydrophobicContact CG-CE2 4.33Å; P477-Y484 HydrophobicContact CG-CG 4.01Å; D482-Y484 VanDerWaalsContact C-N 3.28Å; D482-Y484 HydrophobicContact CB-CD2 4.19Å; D482-Y484 HydrophobicContact CB-CE2 4.34Å; D482-Y484 PolarHBondContact O-N 3.03Å; Y484-E488 HydrophobicContact CD1-CB 4.39Å
485	T	98.4	Very high	96.8	Very high	63 Å²	63	53.1 Å²	53.1	39%	0.387	25%	0.248	S	C	.	.			trans	-70.9	159.5	175.9	67	0	0	0	0	111.4	A487 E488 E489	T485-A487 PolarHBondContact O-N 3.3Å; T485-E488 WeakPolarHBondContact CB-OE2 3.45Å; T485-E488 PolarHBondContact N-OE2 2.94Å; T485-E488 PolarHBondContact O-N 3.38Å; T485-E488 VanDerWaalsContact O-N 3.16Å; T485-E488 VanDerWaalsContact OG1-CD 3.29Å; T485-E488 WeakPolarHBondContact OG1-CG 3.34Å; T485-E488 PolarHBondContact OG1-N 3.06Å; T485-E488 PolarHBondContact OG1-OE2 2.85Å; T485-E489 PolarHBondContact O-N 3.37Å; T485-E489 VanDerWaalsContact O-N 3.08Å
486	K	97.9	Very high	96.8	Very high	110 Å²	110	53.1 Å²	53.1	48%	0.478	25%	0.248	S	C	.	.	H	α-helix	trans	-62.5	-33.9	176	-174.7	62.9	-169.5	175.5	0	112.8	R480 E488 E489 I490	R480-K486 VanDerWaalsContact NH2-NZ 3.11Å; K486-E488 VanDerWaalsContact C-N 3.32Å; K486-E489 WeakPolarHBondContact CD-OE2 3.49Å; K486-E489 IonicContact NZ-OE1 3.1Å; K486-E489 PolarHBondContact NZ-OE1 3.42Å; K486-E489 IonicContact NZ-OE2 2.73Å; K486-E489 PolarHBondContact NZ-OE2 3.11Å; K486-E489 PolarHBondContact O-N 2.72Å; K486-I490 HydrophobicContact CG-CD1 4.36Å; K486-I490 WeakPolarHBondContact O-CG1 3.36Å; K486-I490 PolarHBondContact O-N 2.96Å
487	A	98.1	Very high	96.8	Very high	43 Å²	43	55.4 Å²	55.4	36%	0.355	26%	0.258	S	S	.	.	H	α-helix	trans	-65.1	-38.2	176.7	0	0	0	0	0	111.3	T485 I490 L491 T533	T485-A487 PolarHBondContact O-N 3.3Å; A487-I490 PolarHBondContact O-N 3.09Å; A487-L491 WeakPolarHBondContact O-CB 3.39Å; A487-L491 PolarHBondContact O-N 3.34Å; A487-T533 HydrophobicContact CB-CG2 3.79Å
488	E	98.6	Very high	96.8	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-69.2	-37.9	175.6	-71.8	168.3	138.3	0	0	113	H451 S453 S454 F472 P477 Y484 T485 K486 I490 L491 S492 T533	H451-E488 IonicContact CD2-OE1 3.44Å; H451-E488 IonicContact CE1-OE1 2.81Å; H451-E488 VanDerWaalsContact NE2-CG 3.26Å; H451-E488 WeakPolarHBondContact NE2-CG 3.49Å; H451-E488 IonicContact NE2-OE1 3.54Å; H451-E488 PolarHBondContact NE2-OE1 3.45Å; S453-E488 WeakPolarHBondContact CA-OE1 3.44Å; S454-E488 WeakPolarHBondContact CB-OE2 3.48Å; S454-E488 PolarHBondContact N-OE1 3.04Å; S454-E488 PolarHBondContact OG-OE1 3.19Å; S454-E488 PolarHBondContact OG-OE2 3.47Å; F472-E488 HydrophobicContact CE1-CB 3.77Å; F472-E488 HydrophobicContact CE1-CG 3.79Å; F472-E488 HydrophobicContact CZ-CB 4.26Å; F472-E488 HydrophobicContact CZ-CG 3.92Å; P477-E488 HydrophobicContact CB-CB 4.21Å; Y484-E488 HydrophobicContact CD1-CB 4.39Å; T485-E488 WeakPolarHBondContact CB-OE2 3.45Å; T485-E488 PolarHBondContact N-OE2 2.94Å; T485-E488 PolarHBondContact O-N 3.38Å; T485-E488 VanDerWaalsContact O-N 3.16Å; T485-E488 VanDerWaalsContact OG1-CD 3.29Å; T485-E488 WeakPolarHBondContact OG1-CG 3.34Å; T485-E488 PolarHBondContact OG1-N 3.06Å; T485-E488 PolarHBondContact OG1-OE2 2.85Å; K486-E488 VanDerWaalsContact C-N 3.32Å; E488-I490 VanDerWaalsContact C-N 3.26Å; E488-I490 PolarHBondContact O-N 2.79Å; E488-L491 PolarHBondContact O-N 2.88Å; E488-S492 VanDerWaalsContact O-CB 3.26Å; E488-S492 WeakPolarHBondContact O-CB 3.19Å; E488-S492 PolarHBondContact O-N 3.03Å; E488-T533 HydrophobicContact CG-CG2 4.33Å
489	E	98.3	Very high	96.8	Very high	19 Å²	19	55.1 Å²	55.1	9%	0.089	26%	0.256	C	S	.	.	H	α-helix	trans	-56.6	-42.8	170.4	-176.5	-170.6	154.7	0	0	110.6	P477 L478 R480 T485 K486 R493	P477-E489 WeakPolarHBondContact O-CB 3.33Å; L478-E489 HydrophobicContact CD2-CG 4.12Å; L478-E489 WeakPolarHBondContact CD2-O 3.08Å; R480-E489 IonicContact CZ-OE1 3Å; R480-E489 IonicContact CZ-OE2 2.87Å; R480-E489 IonicContact NE-OE1 3.56Å; R480-E489 PolarHBondContact NE-OE1 2.85Å; R480-E489 IonicContact NE-OE2 3.41Å; R480-E489 PolarHBondContact NE-OE2 2.82Å; R480-E489 VanDerWaalsContact NE-OE2 3.1Å; R480-E489 IonicContact NH2-OE1 3.7Å; R480-E489 PolarHBondContact NH2-OE1 3.09Å; R480-E489 IonicContact NH2-OE2 3.79Å; T485-E489 PolarHBondContact O-N 3.37Å; T485-E489 VanDerWaalsContact O-N 3.08Å; K486-E489 WeakPolarHBondContact CD-OE2 3.49Å; K486-E489 IonicContact NZ-OE1 3.1Å; K486-E489 PolarHBondContact NZ-OE1 3.42Å; K486-E489 IonicContact NZ-OE2 2.73Å; K486-E489 PolarHBondContact NZ-OE2 3.11Å; K486-E489 PolarHBondContact O-N 2.72Å; E489-R493 VanDerWaalsContact O-CB 3.26Å; E489-R493 WeakPolarHBondContact O-CB 3.42Å; E489-R493 PolarHBondContact O-N 2.79Å
490	I	96.9	Very high	97	Very high	106 Å²	106	53.9 Å²	53.9	54%	0.544	25%	0.251	S	S	.	.	H	α-helix	trans	-69.4	-46.9	179.8	-67.1	165.8	0	0	0	110.9	K486 A487 E488 R493 S494	K486-I490 HydrophobicContact CG-CD1 4.36Å; K486-I490 WeakPolarHBondContact O-CG1 3.36Å; K486-I490 PolarHBondContact O-N 2.96Å; A487-I490 PolarHBondContact O-N 3.09Å; E488-I490 VanDerWaalsContact C-N 3.26Å; E488-I490 PolarHBondContact O-N 2.79Å; I490-R493 PolarHBondContact O-N 3.01Å; I490-S494 PolarHBondContact O-N 2.96Å
491	L	97.6	Very high	97.3	Very high	9 Å²	9	46.3 Å²	46.3	5%	0.047	22%	0.223	C	C	.	.	H	α-helix	trans	-59.2	-50.9	177.1	173.4	59.7	0	0	0	111	F449 H451 F472 A487 E488 R493 S494 I495 T533	F449-L491 HydrophobicContact CE2-CD2 4.33Å; H451-L491 HydrophobicContact CB-CD2 3.65Å; F472-L491 HydrophobicContact CD1-CD2 4Å; F472-L491 HydrophobicContact CD1-CG 4.08Å; F472-L491 HydrophobicContact CE1-CD2 3.95Å; F472-L491 HydrophobicContact CE1-CG 4.4Å; A487-L491 WeakPolarHBondContact O-CB 3.39Å; A487-L491 PolarHBondContact O-N 3.34Å; E488-L491 PolarHBondContact O-N 2.88Å; L491-R493 VanDerWaalsContact C-N 3.33Å; L491-R493 PolarHBondContact O-N 3.4Å; L491-S494 WeakPolarHBondContact O-CB 3.44Å; L491-S494 PolarHBondContact O-N 2.76Å; L491-S494 VanDerWaalsContact O-N 3.13Å; L491-I495 HydrophobicContact CD1-CD1 3.75Å; L491-I495 HydrophobicContact CD1-CG1 4.14Å; L491-I495 HydrophobicContact CG-CD1 3.89Å; L491-I495 WeakPolarHBondContact O-CG1 3.39Å; L491-I495 PolarHBondContact O-N 3.25Å; L491-T533 HydrophobicContact CB-CG2 4.09Å; L491-T533 HydrophobicContact CD2-CG2 3.87Å
492	S	98.6	Very high	97.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61	-42.1	178.6	174.5	0	0	0	0	111.4	F472 G475 E488 S494 I495 V496	F472-S492 PolarHBondContact O-OG 3.26Å; G475-S492 WeakPolarHBondContact CA-OG 3.39Å; E488-S492 VanDerWaalsContact O-CB 3.26Å; E488-S492 WeakPolarHBondContact O-CB 3.19Å; E488-S492 PolarHBondContact O-N 3.03Å; S492-S494 VanDerWaalsContact C-N 3.3Å; S492-S494 PolarHBondContact O-N 2.67Å; S492-I495 PolarHBondContact O-N 2.96Å; S492-V496 VanDerWaalsContact O-CB 3.27Å; S492-V496 WeakPolarHBondContact O-CB 3.38Å; S492-V496 VanDerWaalsContact O-CG2 3.24Å; S492-V496 WeakPolarHBondContact O-CG2 3.43Å; S492-V496 PolarHBondContact O-N 2.92Å
493	R	97.6	Very high	98	Very high	114 Å²	114	34.8 Å²	34.8	43%	0.43	18%	0.176	S	C	.	.	H	α-helix	trans	-60	-40.3	175.3	-176.2	170	-68.6	-88.3	-3.1	112.4	L478 E489 I490 L491 K497	L478-R493 HydrophobicContact CD2-CB 3.84Å; E489-R493 VanDerWaalsContact O-CB 3.26Å; E489-R493 WeakPolarHBondContact O-CB 3.42Å; E489-R493 PolarHBondContact O-N 2.79Å; I490-R493 PolarHBondContact O-N 3.01Å; L491-R493 VanDerWaalsContact C-N 3.33Å; L491-R493 PolarHBondContact O-N 3.4Å; R493-K497 WeakPolarHBondContact O-CB 3.42Å; R493-K497 PolarHBondContact O-N 2.95Å; R493-K497 VanDerWaalsContact O-N 3.08Å
494	S	97	Very high	98.2	Very high	25 Å²	25	31 Å²	31	18%	0.175	15%	0.153	C	C	.	.	H	α-helix	trans	-63.7	-50	175.1	-178.2	0	0	0	0	110.9	I490 L491 S492 K497 R498	I490-S494 PolarHBondContact O-N 2.96Å; L491-S494 WeakPolarHBondContact O-CB 3.44Å; L491-S494 PolarHBondContact O-N 2.76Å; L491-S494 VanDerWaalsContact O-N 3.13Å; S492-S494 VanDerWaalsContact C-N 3.3Å; S492-S494 PolarHBondContact O-N 2.67Å; S494-K497 WeakPolarHBondContact O-CB 3.33Å; S494-K497 PolarHBondContact O-N 2.92Å; S494-R498 WeakPolarHBondContact O-CG 3.32Å; S494-R498 PolarHBondContact O-N 3.43Å; S494-R498 PolarHBondContact OG-NE 2.95Å
495	I	98.3	Very high	98.2	Very high	2 Å²	2	37 Å²	37	1%	0.01	18%	0.176	C	C	.	.	H	α-helix	trans	-58.5	-52.7	178.2	-70.7	172.5	0	0	0	111	F449 F472 V473 L491 S492 K497 R498 W499 L531	F449-I495 HydrophobicContact CD2-CD1 4.26Å; F449-I495 HydrophobicContact CE2-CD1 3.92Å; F472-I495 HydrophobicContact CB-CD1 3.96Å; V473-I495 HydrophobicContact CB-CG2 4.35Å; V473-I495 HydrophobicContact CG2-CG2 3.72Å; L491-I495 HydrophobicContact CD1-CD1 3.75Å; L491-I495 HydrophobicContact CD1-CG1 4.14Å; L491-I495 HydrophobicContact CG-CD1 3.89Å; L491-I495 WeakPolarHBondContact O-CG1 3.39Å; L491-I495 PolarHBondContact O-N 3.25Å; S492-I495 PolarHBondContact O-N 2.96Å; I495-K497 VanDerWaalsContact C-N 3.25Å; I495-K497 PolarHBondContact O-N 2.94Å; I495-R498 PolarHBondContact O-N 3.34Å; I495-W499 HydrophobicContact CB-CE3 4.45Å; I495-W499 HydrophobicContact CB-CZ3 4.34Å; I495-W499 HydrophobicContact CG1-CZ3 4.44Å; I495-W499 HydrophobicContact CG2-CD2 4.09Å; I495-W499 HydrophobicContact CG2-CE3 3.69Å; I495-W499 HydrophobicContact CG2-CH2 4.06Å; I495-W499 HydrophobicContact CG2-CZ2 4.42Å; I495-W499 HydrophobicContact CG2-CZ3 3.68Å; I495-W499 PolarHBondContact O-N 2.89Å; I495-L531 HydrophobicContact CD1-CD1 4.42Å; I495-L531 HydrophobicContact CG1-CD1 4.32Å
496	V	98.6	Very high	98.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-51.2	-45.4	176.4	162	0	0	0	0	111.3	L161 V164 E165 V473 S492 A500	L161-V496 HydrophobicContact CD2-CB 4.48Å; L161-V496 HydrophobicContact CD2-CG1 3.99Å; L161-V496 HydrophobicContact CD2-CG2 4.27Å; V164-V496 HydrophobicContact CG1-CG1 4.28Å; E165-V496 HydrophobicContact CG-CG1 3.38Å; V473-V496 WeakPolarHBondContact O-CG2 3.42Å; S492-V496 VanDerWaalsContact O-CB 3.27Å; S492-V496 WeakPolarHBondContact O-CB 3.38Å; S492-V496 VanDerWaalsContact O-CG2 3.24Å; S492-V496 WeakPolarHBondContact O-CG2 3.43Å; S492-V496 PolarHBondContact O-N 2.92Å; V496-A500 WeakPolarHBondContact O-CB 3.46Å; V496-A500 PolarHBondContact O-N 3.28Å; V496-A500 VanDerWaalsContact O-N 3.09Å
497	K	98	Very high	98.2	Very high	54 Å²	54	31.9 Å²	31.9	24%	0.235	15%	0.154	C	C	.	.	H	α-helix	trans	-63.2	-46.8	177.2	179.8	61.8	67.7	-163	0	112	E165 R493 S494 I495 A500 N501 E510	E165-K497 WeakPolarHBondContact OE1-CE 3.41Å; E165-K497 IonicContact OE1-NZ 3.21Å; E165-K497 PolarHBondContact OE1-NZ 3.26Å; E165-K497 IonicContact OE2-NZ 2.74Å; E165-K497 PolarHBondContact OE2-NZ 3.21Å; R493-K497 WeakPolarHBondContact O-CB 3.42Å; R493-K497 PolarHBondContact O-N 2.95Å; R493-K497 VanDerWaalsContact O-N 3.08Å; S494-K497 WeakPolarHBondContact O-CB 3.33Å; S494-K497 PolarHBondContact O-N 2.92Å; I495-K497 VanDerWaalsContact C-N 3.25Å; I495-K497 PolarHBondContact O-N 2.94Å; K497-A500 PolarHBondContact O-N 3.45Å; K497-N501 WeakPolarHBondContact O-CB 3.42Å; K497-N501 PolarHBondContact O-N 2.71Å; K497-E510 HydrophobicContact CG-CG 4.24Å
498	R	98.3	Very high	98.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-64.9	-42.7	-177.1	-67.2	179.3	174.5	-87.3	11	111.6	S494 I495 N501 F502 P508 S515 T516 W518	S494-R498 WeakPolarHBondContact O-CG 3.32Å; S494-R498 PolarHBondContact O-N 3.43Å; S494-R498 PolarHBondContact OG-NE 2.95Å; I495-R498 PolarHBondContact O-N 3.34Å; R498-N501 PolarHBondContact O-N 3.43Å; R498-F502 WeakPolarHBondContact O-CB 3.4Å; R498-F502 PolarHBondContact O-N 3.11Å; R498-P508 HydrophobicContact CB-CB 4.15Å; R498-P508 WeakPolarHBondContact CB-O 3.23Å; R498-P508 WeakPolarHBondContact CG-O 3.32Å; R498-P508 PolarHBondContact NH1-O 2.93Å; R498-P508 WeakPolarHBondContact O-CA 3.49Å; R498-S515 PolarHBondContact NH2-OG 3.39Å; R498-T516 PolarHBondContact NH2-O 3.49Å; R498-W518 HydrophobicContact CB-CZ3 4.28Å
499	W	98.8	Very high	97.9	Very high	3 Å²	3	31.8 Å²	31.8	1%	0.011	15%	0.147	C	C	.	.	H	α-helix	trans	-62.9	-46.4	175.3	-91.5	-123.9	0	0	0	111.2	I249 L346 Y447 V473 I495 F502 A503 W518 L531	I249-W499 HydrophobicContact CD1-CB 4.39Å; I249-W499 HydrophobicContact CD1-CG 4.04Å; L346-W499 HydrophobicContact CD2-CH2 4.18Å; L346-W499 HydrophobicContact CD2-CZ2 4Å; Y447-W499 AromaticContact CD1-CH2 3.84Å; Y447-W499 HydrophobicContact CD1-CH2 3.84Å; Y447-W499 HydrophobicContact CD1-CZ2 4.15Å; Y447-W499 AromaticContact CE1-CH2 3.82Å; Y447-W499 HydrophobicContact CE1-CH2 3.82Å; Y447-W499 AromaticContact CE1-CZ2 3.66Å; Y447-W499 HydrophobicContact CE1-CZ2 3.66Å; Y447-W499 HydrophobicContact CG-CH2 4.31Å; V473-W499 HydrophobicContact CG1-CG 4.27Å; V473-W499 HydrophobicContact CG2-CZ2 3.94Å; I495-W499 HydrophobicContact CB-CE3 4.45Å; I495-W499 HydrophobicContact CB-CZ3 4.34Å; I495-W499 HydrophobicContact CG1-CZ3 4.44Å; I495-W499 HydrophobicContact CG2-CD2 4.09Å; I495-W499 HydrophobicContact CG2-CE3 3.69Å; I495-W499 HydrophobicContact CG2-CH2 4.06Å; I495-W499 HydrophobicContact CG2-CZ2 4.42Å; I495-W499 HydrophobicContact CG2-CZ3 3.68Å; I495-W499 PolarHBondContact O-N 2.89Å; W499-F502 PolarHBondContact O-N 3.39Å; W499-A503 WeakPolarHBondContact O-CB 3.2Å; W499-A503 PolarHBondContact O-N 2.92Å; W499-W518 HydrophobicContact CH2-CH2 4.3Å; W499-W518 HydrophobicContact CZ3-CH2 4.06Å; W499-W518 HydrophobicContact CZ3-CZ3 4.06Å; W499-L531 HydrophobicContact CH2-CD1 3.85Å; W499-L531 HydrophobicContact CZ3-CD1 4.1Å
500	A	98.7	Very high	96.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-66.5	-39	178.1	0	0	0	0	0	112.8	E165 V167 V496 K497 A503 K504	E165-A500 HydrophobicContact CB-CB 3.54Å; E165-A500 HydrophobicContact CG-CB 3.53Å; V167-A500 HydrophobicContact CG1-CB 4.31Å; V496-A500 WeakPolarHBondContact O-CB 3.46Å; V496-A500 PolarHBondContact O-N 3.28Å; V496-A500 VanDerWaalsContact O-N 3.09Å; K497-A500 PolarHBondContact O-N 3.45Å; A500-A503 PolarHBondContact O-N 2.79Å; A500-K504 WeakPolarHBondContact O-CB 3.26Å; A500-K504 WeakPolarHBondContact O-CD 3.32Å; A500-K504 WeakPolarHBondContact O-CG 3.2Å; A500-K504 PolarHBondContact O-N 2.96Å
501	N	98.6	Very high	95.3	Very high	14 Å²	14	33.7 Å²	33.7	8%	0.075	16%	0.163	C	C	.	.	H	α-helix	trans	-65.6	-42.4	175.4	-80.3	-3.9	0	0	0	111.4	K497 R498 A503 K504 Y505 N507 N509	K497-N501 WeakPolarHBondContact O-CB 3.42Å; K497-N501 PolarHBondContact O-N 2.71Å; R498-N501 PolarHBondContact O-N 3.43Å; N501-A503 VanDerWaalsContact C-N 3.31Å; N501-A503 PolarHBondContact O-N 3.42Å; N501-K504 PolarHBondContact O-N 2.85Å; N501-Y505 HydrophobicContact CB-CD2 4.08Å; N501-Y505 HydrophobicContact CB-CE2 4.41Å; N501-Y505 WeakPolarHBondContact O-CB 3.36Å; N501-Y505 VanDerWaalsContact O-CD2 3.3Å; N501-Y505 WeakPolarHBondContact O-CD2 3.48Å; N501-Y505 PolarHBondContact O-N 2.77Å; N501-N507 CarbonylContact C-O 3.58Å; N501-N507 VanDerWaalsContact C-O 3.22Å; N501-N509 PolarHBondContact ND2-O 2.88Å
502	F	98.8	Very high	93.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-58.6	-45.1	172.9	175.7	-96.5	0	0	0	111.3	T221 R247 A248 I249 Q344 I345 L346 F445 R498 W499 K504 G506 N507 P508	T221-F502 HydrophobicContact CG2-CD1 4.39Å; T221-F502 HydrophobicContact CG2-CE1 4.25Å; R247-F502 HydrophobicContact CB-CE1 3.9Å; R247-F502 HydrophobicContact CB-CZ 4.14Å; R247-F502 WeakPolarHBondContact CD-O 3.5Å; A248-F502 WeakPolarHBondContact O-CE1 3.33Å; I249-F502 HydrophobicContact CD1-CD1 3.76Å; I249-F502 HydrophobicContact CD1-CE1 4.28Å; I249-F502 HydrophobicContact CG1-CD1 3.58Å; I249-F502 HydrophobicContact CG1-CE1 3.58Å; Q344-F502 HydrophobicContact CB-CE2 3.86Å; Q344-F502 HydrophobicContact CB-CZ 4.09Å; Q344-F502 WeakPolarHBondContact O-CZ 3.24Å; I345-F502 VanDerWaalsContact C-CZ 3.41Å; L346-F502 HydrophobicContact CB-CD1 4.06Å; L346-F502 HydrophobicContact CB-CD2 4.09Å; L346-F502 HydrophobicContact CB-CE1 3.96Å; L346-F502 HydrophobicContact CB-CE2 3.99Å; L346-F502 HydrophobicContact CB-CG 4.12Å; L346-F502 HydrophobicContact CB-CZ 3.92Å; L346-F502 HydrophobicContact CD1-CB 3.98Å; L346-F502 HydrophobicContact CD1-CD1 4.38Å; L346-F502 HydrophobicContact CD1-CD2 4.25Å; L346-F502 HydrophobicContact CD1-CG 3.93Å; F445-F502 HydrophobicContact CD2-CD2 4.16Å; F445-F502 HydrophobicContact CD2-CE2 4.02Å; F445-F502 HydrophobicContact CE2-CD2 4.41Å; F445-F502 HydrophobicContact CE2-CE2 4.34Å; R498-F502 WeakPolarHBondContact O-CB 3.4Å; R498-F502 PolarHBondContact O-N 3.11Å; W499-F502 PolarHBondContact O-N 3.39Å; F502-K504 PolarHBondContact O-N 3.21Å; F502-G506 WeakPolarHBondContact O-CA 3.4Å; F502-G506 PolarHBondContact O-N 2.93Å; F502-N507 PolarHBondContact N-O 3.09Å; F502-P508 HydrophobicContact CB-CB 4.15Å
503	A	98.9	Very high	92	Very high	2 Å²	2	46.3 Å²	46.3	2%	0.017	23%	0.225	C	C	.	.	H	α-helix	trans	-65	-37.8	178.3	0	0	0	0	0	113.2	T136 L138 T221 W499 A500 N501	T136-A503 HydrophobicContact CG2-CB 3.68Å; L138-A503 HydrophobicContact CD2-CB 3.58Å; L138-A503 HydrophobicContact CG-CB 4.27Å; T221-A503 HydrophobicContact CG2-CB 4.06Å; T221-A503 WeakPolarHBondContact OG1-CA 3.32Å; T221-A503 WeakPolarHBondContact OG1-CB 3.34Å; W499-A503 WeakPolarHBondContact O-CB 3.2Å; W499-A503 PolarHBondContact O-N 2.92Å; A500-A503 PolarHBondContact O-N 2.79Å; N501-A503 VanDerWaalsContact C-N 3.31Å; N501-A503 PolarHBondContact O-N 3.42Å
504	K	98.7	Very high	90.7	Very high	53 Å²	53	49.7 Å²	49.7	23%	0.23	25%	0.251	C	S	.	.	H	α-helix	trans	-75.8	-38.6	179.5	-69.4	163.2	-173.8	169.1	0	113.1	T136 E165 A500 N501 F502	T136-K504 HydrophobicContact CG2-CG 4.22Å; T136-K504 WeakPolarHBondContact OG1-CG 3.44Å; E165-K504 PolarHBondContact O-NZ 3.22Å; E165-K504 IonicContact OE2-NZ 2.77Å; A500-K504 WeakPolarHBondContact O-CB 3.26Å; A500-K504 WeakPolarHBondContact O-CD 3.32Å; A500-K504 WeakPolarHBondContact O-CG 3.2Å; A500-K504 PolarHBondContact O-N 2.96Å; N501-K504 PolarHBondContact O-N 2.85Å; F502-K504 PolarHBondContact O-N 3.21Å
505	Y	98.4	Very high	89.9	Confident	159 Å²	159	50.2 Å²	50.2	62%	0.624	26%	0.255	S	S	*	.	H	α-helix	trans	-126.1	-10	-163.3	-47.5	-56	0	0	0	114	N501 N507	N501-Y505 HydrophobicContact CB-CD2 4.08Å; N501-Y505 HydrophobicContact CB-CE2 4.41Å; N501-Y505 WeakPolarHBondContact O-CB 3.36Å; N501-Y505 VanDerWaalsContact O-CD2 3.3Å; N501-Y505 WeakPolarHBondContact O-CD2 3.48Å; N501-Y505 PolarHBondContact O-N 2.77Å; Y505-N507 VanDerWaalsContact C-N 3.26Å
506	G	98.4	Very high	89.3	Confident	5 Å²	5	52.7 Å²	52.7	5%	0.052	27%	0.27	C	S	.	.	S	Bend	trans	71.8	19.4	-172	0	0	0	0	0	113.8	R247 F445 F502	R247-G506 VanDerWaalsContact NE-CA 3.31Å; F445-G506 WeakPolarHBondContact CE2-O 3.24Å; F502-G506 WeakPolarHBondContact O-CA 3.4Å; F502-G506 PolarHBondContact O-N 2.93Å
507	N	97.9	Very high	89.1	Confident	62 Å²	62	56 Å²	56	33%	0.332	29%	0.294	S	S	.	.			trans	-145.7	124.7	178.9	-171.6	-38	0	0	0	110	F445 N501 F502 Y505 N509	F445-N507 HydrophobicContact CZ-CB 4.46Å; N501-N507 CarbonylContact C-O 3.58Å; N501-N507 VanDerWaalsContact C-O 3.22Å; F502-N507 PolarHBondContact N-O 3.09Å; Y505-N507 VanDerWaalsContact C-N 3.26Å; N507-N509 VanDerWaalsContact C-N 3.25Å; N507-N509 PolarHBondContact O-N 2.83Å; N507-N509 VanDerWaalsContact OD1-CB 3.23Å; N507-N509 WeakPolarHBondContact OD1-CB 3.37Å; N507-N509 PolarHBondContact OD1-N 2.86Å; N507-N509 PolarHBondContact OD1-ND2 2.87Å
508	P	97.1	Very high	89	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.283	C	S	.	.			trans	-82.2	7.3	-177.5	34.6	-35.2	0	0	0	113.8	L346 F445 R498 F502 W518	L346-P508 HydrophobicContact CD1-CB 3.91Å; L346-P508 HydrophobicContact CD1-CG 4.36Å; F445-P508 HydrophobicContact CB-CG 4.13Å; F445-P508 HydrophobicContact CD1-CG 3.64Å; F445-P508 HydrophobicContact CD2-CG 4.17Å; F445-P508 HydrophobicContact CE1-CG 4.05Å; F445-P508 HydrophobicContact CG-CG 3.71Å; F445-P508 HydrophobicContact CZ-CG 4.47Å; R498-P508 HydrophobicContact CB-CB 4.15Å; R498-P508 WeakPolarHBondContact CB-O 3.23Å; R498-P508 WeakPolarHBondContact CG-O 3.32Å; R498-P508 PolarHBondContact NH1-O 2.93Å; R498-P508 WeakPolarHBondContact O-CA 3.49Å; F502-P508 HydrophobicContact CB-CB 4.15Å; P508-W518 HydrophobicContact CB-CD2 4.23Å; P508-W518 HydrophobicContact CB-CE3 3.58Å; P508-W518 HydrophobicContact CB-CZ3 3.91Å; P508-W518 HydrophobicContact CG-CB 4Å; P508-W518 HydrophobicContact CG-CD2 3.66Å; P508-W518 HydrophobicContact CG-CE3 3.55Å; P508-W518 HydrophobicContact CG-CG 3.9Å; P508-W518 HydrophobicContact CG-CZ3 4.2Å
509	N	92.1	Very high	89	Confident	40 Å²	40	54.8 Å²	54.8	21%	0.214	29%	0.291	C	S	.	.			trans	-67.5	144	-179.9	-73.7	-20.4	0	0	0	112.7	N501 N507 S517 W518	N501-N509 PolarHBondContact ND2-O 2.88Å; N507-N509 VanDerWaalsContact C-N 3.25Å; N507-N509 PolarHBondContact O-N 2.83Å; N507-N509 VanDerWaalsContact OD1-CB 3.23Å; N507-N509 WeakPolarHBondContact OD1-CB 3.37Å; N507-N509 PolarHBondContact OD1-N 2.86Å; N507-N509 PolarHBondContact OD1-ND2 2.87Å; N509-S517 PolarHBondContact ND2-OG 3.23Å; N509-W518 WeakPolarHBondContact OD1-CA 3.39Å; N509-W518 WeakPolarHBondContact OD1-CB 3.22Å; N509-W518 PolarHBondContact OD1-N 2.92Å; N509-W518 PolarHBondContact OD1-O 3.16Å
510	E	75.1	Confident	89	Confident	33 Å²	33	56.6 Å²	56.6	15%	0.154	30%	0.302	C	S	.	.			trans	-98	129.4	173.7	-175.5	179.8	-161.4	0	0	108.9	K497 N513 S515	K497-E510 HydrophobicContact CG-CG 4.24Å; E510-N513 HydrophobicContact CG-CB 4.48Å; E510-N513 PolarHBondContact OE1-ND2 3.42Å; E510-S515 WeakPolarHBondContact OE2-CB 3.28Å; E510-S515 PolarHBondContact OE2-OG 3.33Å
511	T	66.9	Low	89	Confident	133 Å²	133	56.7 Å²	56.7	82%	0.816	30%	0.303	S	S	*	.	S	Bend	trans	-99.8	-11.7	-173	54.4	0	0	0	0	114.6
512	Q	62.1	Low	88.9	Confident	170 Å²	170	61.2 Å²	61.2	79%	0.794	32%	0.322	S	S	*	.	S	Bend	trans	-106	-24.2	-170.3	-78.3	-177.6	-32.5	0	0	114.5
513	N	63.3	Low	88.7	Confident	104 Å²	104	62.7 Å²	62.7	56%	0.556	33%	0.332	S	S	*	.	S	Bend	trans	-106.8	150	174.7	-66.3	-32.2	0	0	0	108.2	E510 S515	E510-N513 HydrophobicContact CG-CB 4.48Å; E510-N513 PolarHBondContact OE1-ND2 3.42Å; N513-S515 PolarHBondContact O-N 3.04Å
514	N	70.5	Confident	88.5	Confident	184 Å²	184	67.8 Å²	67.8	98%	0.984	36%	0.363	S	S	*	.			trans	-68.9	53.9	174.9	-162.6	21.6	0	0	0	110.8
515	S	79.8	Confident	88.4	Confident	37 Å²	37	69.4 Å²	69.4	26%	0.259	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-88	140.6	-168	-158.6	0	0	0	0	108.3	R498 E510 N513 S517	R498-S515 PolarHBondContact NH2-OG 3.39Å; E510-S515 WeakPolarHBondContact OE2-CB 3.28Å; E510-S515 PolarHBondContact OE2-OG 3.33Å; N513-S515 PolarHBondContact O-N 3.04Å; S515-S517 PolarHBondContact O-N 2.82Å; S515-S517 VanDerWaalsContact O-N 3.16Å
516	T	87	Confident	88.4	Confident	53 Å²	53	63.9 Å²	63.9	33%	0.325	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-54.7	124.4	178.3	-53	0	0	0	0	109.7	R498 W518 L529 T536 I538	R498-T516 PolarHBondContact NH2-O 3.49Å; T516-W518 PolarHBondContact O-N 3.42Å; T516-L529 HydrophobicContact CG2-CD1 3.95Å; T516-T536 PolarHBondContact OG1-O 3.4Å; T516-I538 HydrophobicContact CG2-CD1 4.1Å; T516-I538 HydrophobicContact CG2-CG1 3.91Å
517	S	93	Very high	88.4	Confident	71 Å²	71	66.3 Å²	66.3	50%	0.497	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-62.9	129.5	173.9	176	0	0	0	0	109.1	N509 S515 P519 I538	N509-S517 PolarHBondContact ND2-OG 3.23Å; S515-S517 PolarHBondContact O-N 2.82Å; S515-S517 VanDerWaalsContact O-N 3.16Å; S517-P519 VanDerWaalsContact O-CD 3.26Å; S517-P519 WeakPolarHBondContact O-CD 3.44Å; S517-I538 WeakPolarHBondContact O-CD1 3.2Å
518	W	96.8	Very high	88.5	Confident	2 Å²	2	64.2 Å²	64.2	1%	0.008	35%	0.348	C	S	.	.			trans	-83.1	110.3	174.1	-160.6	-28.3	0	0	0	109	L346 F445 F446 Y447 R498 W499 P508 N509 T516 L529	L346-W518 HydrophobicContact CD1-CH2 3.99Å; L346-W518 HydrophobicContact CD1-CZ3 4.27Å; L346-W518 HydrophobicContact CD2-CH2 4.01Å; L346-W518 HydrophobicContact CD2-CZ2 4.4Å; L346-W518 HydrophobicContact CG-CH2 4.1Å; L346-W518 HydrophobicContact CG-CZ2 4.31Å; F445-W518 HydrophobicContact CB-CZ2 4.28Å; F445-W518 HydrophobicContact CD1-CB 4.49Å; F445-W518 AromaticContact CD1-CD1 3.92Å; F445-W518 HydrophobicContact CD1-CG 4.14Å; F446-W518 PolarHBondContact O-NE1 3.27Å; Y447-W518 VanDerWaalsContact CB-CZ2 3.49Å; Y447-W518 HydrophobicContact CD1-CH2 4.04Å; Y447-W518 HydrophobicContact CD1-CZ2 4.2Å; Y447-W518 HydrophobicContact CG-CH2 4.26Å; Y447-W518 HydrophobicContact CG-CZ2 4.33Å; R498-W518 HydrophobicContact CB-CZ3 4.28Å; W499-W518 HydrophobicContact CH2-CH2 4.3Å; W499-W518 HydrophobicContact CZ3-CH2 4.06Å; W499-W518 HydrophobicContact CZ3-CZ3 4.06Å; P508-W518 HydrophobicContact CB-CD2 4.23Å; P508-W518 HydrophobicContact CB-CE3 3.58Å; P508-W518 HydrophobicContact CB-CZ3 3.91Å; P508-W518 HydrophobicContact CG-CB 4Å; P508-W518 HydrophobicContact CG-CD2 3.66Å; P508-W518 HydrophobicContact CG-CE3 3.55Å; P508-W518 HydrophobicContact CG-CG 3.9Å; P508-W518 HydrophobicContact CG-CZ3 4.2Å; N509-W518 WeakPolarHBondContact OD1-CA 3.39Å; N509-W518 WeakPolarHBondContact OD1-CB 3.22Å; N509-W518 PolarHBondContact OD1-N 2.92Å; N509-W518 PolarHBondContact OD1-O 3.16Å; T516-W518 PolarHBondContact O-N 3.42Å; W518-L529 HydrophobicContact CB-CD2 4.06Å; W518-L529 HydrophobicContact CD2-CB 3.94Å; W518-L529 HydrophobicContact CD2-CD2 3.53Å; W518-L529 HydrophobicContact CD2-CG 4.37Å; W518-L529 HydrophobicContact CE3-CD2 3.57Å; W518-L529 HydrophobicContact CG-CB 3.98Å; W518-L529 HydrophobicContact CG-CD2 3.75Å; W518-L529 HydrophobicContact CG-CG 4.4Å; W518-L529 HydrophobicContact CZ2-CB 4.46Å; W518-L529 HydrophobicContact CZ3-CD2 4.26Å
519	P	97.6	Very high	88.5	Confident	25 Å²	25	64.2 Å²	64.2	16%	0.162	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-73.6	155.8	179.5	32.2	-36.3	0	0	0	111.3	S517 K527 I538	S517-P519 VanDerWaalsContact O-CD 3.26Å; S517-P519 WeakPolarHBondContact O-CD 3.44Å; P519-K527 HydrophobicContact CB-CB 4.18Å; P519-K527 HydrophobicContact CB-CD 4.07Å; P519-K527 HydrophobicContact CG-CB 3.67Å; P519-K527 HydrophobicContact CG-CD 4.19Å; P519-K527 HydrophobicContact CG-CG 4.45Å; P519-I538 HydrophobicContact CG-CD1 4.21Å; P519-I538 HydrophobicContact CG-CG1 4.28Å; P519-I538 HydrophobicContact CG-CG2 3.83Å
520	V	98.6	Very high	88.9	Confident	41 Å²	41	62.5 Å²	62.5	25%	0.248	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-68	138.4	168.5	-65.1	0	0	0	0	110.3	N443 A444 F445 K522	N443-V520 HydrophobicContact CB-CG1 4.1Å; A444-V520 CarbonylContact O-C 3.51Å; A444-V520 WeakPolarHBondContact O-CA 3.31Å; F445-V520 HydrophobicContact CD1-CG1 4.5Å; F445-V520 HydrophobicContact CE1-CG1 3.77Å; F445-V520 HydrophobicContact CZ-CG1 3.82Å; V520-K522 HydrophobicContact CG2-CG 4.24Å
521	F	98.7	Very high	90	Very high	3 Å²	3	61 Å²	61	1%	0.013	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-73.9	132.7	167.5	-172.5	-79.7	0	0	0	109.2	L431 T434 K435 A444 F446 Q526 K527	L431-F521 HydrophobicContact CD2-CE2 4.14Å; L431-F521 HydrophobicContact CD2-CZ 4.49Å; T434-F521 HydrophobicContact CG2-CB 4.11Å; T434-F521 HydrophobicContact CG2-CD1 3.59Å; T434-F521 HydrophobicContact CG2-CD2 4.29Å; T434-F521 HydrophobicContact CG2-CE1 4.01Å; T434-F521 HydrophobicContact CG2-CG 3.74Å; T434-F521 HydrophobicContact CG2-CZ 4.5Å; K435-F521 HydrophobicContact CB-CE1 4.15Å; A444-F521 HydrophobicContact CB-CB 4.22Å; A444-F521 PolarHBondContact O-N 3.04Å; F446-F521 HydrophobicContact CB-CB 4.37Å; F446-F521 HydrophobicContact CB-CD2 3.72Å; F446-F521 HydrophobicContact CB-CE2 4.43Å; F446-F521 HydrophobicContact CB-CG 4.37Å; F446-F521 HydrophobicContact CG-CD2 4.35Å; F521-Q526 HydrophobicContact CD2-CB 4.5Å; F521-Q526 HydrophobicContact CE1-CG 4.17Å; F521-Q526 HydrophobicContact CE2-CB 3.73Å; F521-Q526 HydrophobicContact CE2-CG 4.15Å; F521-Q526 HydrophobicContact CZ-CB 3.77Å; F521-Q526 HydrophobicContact CZ-CG 3.64Å; F521-K527 WeakPolarHBondContact CD2-O 3.24Å
522	K	97.6	Very high	91.4	Very high	109 Å²	109	55.8 Å²	55.8	47%	0.474	30%	0.299	S	S	.	.			trans	-135.1	148.6	174.1	-64.8	-175.4	178.2	-177.2	0	108.6	V520 T524 E525 Q526	V520-K522 HydrophobicContact CG2-CG 4.24Å; K522-T524 PolarHBondContact O-N 2.77Å; K522-E525 PolarHBondContact O-N 3.07Å; K522-Q526 WeakPolarHBondContact O-CA 3.38Å; K522-Q526 PolarHBondContact O-N 3.15Å
523	S	94.9	Very high	93	Very high	30 Å²	30	50.3 Å²	50.3	21%	0.21	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-22.3	180	-58.3	0	0	0	0	115.5	K435 S438 E439 Q526	K435-S523 WeakPolarHBondContact CG-OG 3.12Å; K435-S523 PolarHBondContact O-OG 3.44Å; S438-S523 PolarHBondContact OG-OG 2.98Å; E439-S523 WeakPolarHBondContact CG-OG 3.37Å; E439-S523 WeakPolarHBondContact OE1-CB 3.4Å; E439-S523 PolarHBondContact OE1-OG 2.55Å; S523-Q526 PolarHBondContact O-OE1 3.01Å
524	T	94.6	Very high	94.4	Very high	109 Å²	109	53.4 Å²	53.4	67%	0.669	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-62.6	178.4	51.2	0	0	0	0	112.4	K522	K522-T524 PolarHBondContact O-N 2.77Å
525	E	97	Very high	95.2	Very high	88 Å²	88	46.6 Å²	46.6	41%	0.411	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-29.6	-174.1	-58.5	-172.8	118.1	0	0	112.7	K522 K527 T540	K522-E525 PolarHBondContact O-N 3.07Å; E525-K527 HydrophobicContact CB-CD 4.31Å; E525-K527 HydrophobicContact CB-CG 4.08Å; E525-K527 PolarHBondContact O-N 3.19Å; E525-K527 WeakPolarHBondContact OE1-CE 3.2Å; E525-K527 IonicContact OE1-NZ 2.71Å; E525-K527 PolarHBondContact OE1-NZ 2.92Å; E525-K527 WeakPolarHBondContact OE2-CE 3.22Å; E525-K527 IonicContact OE2-NZ 3.87Å; E525-K527 PolarHBondContact OE2-NZ 2.88Å; E525-T540 WeakPolarHBondContact O-CB 3.26Å; E525-T540 WeakPolarHBondContact O-CG2 3.21Å
526	Q	98.1	Very high	95.8	Very high	43 Å²	43	46.6 Å²	46.6	20%	0.201	25%	0.254	C	S	.	.			trans	47.3	43.8	-178.9	-61.1	179.1	-129.4	0	0	112.9	F521 K522 S523 T540 K541	F521-Q526 HydrophobicContact CD2-CB 4.5Å; F521-Q526 HydrophobicContact CE1-CG 4.17Å; F521-Q526 HydrophobicContact CE2-CB 3.73Å; F521-Q526 HydrophobicContact CE2-CG 4.15Å; F521-Q526 HydrophobicContact CZ-CB 3.77Å; F521-Q526 HydrophobicContact CZ-CG 3.64Å; K522-Q526 WeakPolarHBondContact O-CA 3.38Å; K522-Q526 PolarHBondContact O-N 3.15Å; S523-Q526 PolarHBondContact O-OE1 3.01Å; Q526-T540 WeakPolarHBondContact O-CA 3.44Å; Q526-K541 HydrophobicContact CB-CG 4.25Å; Q526-K541 PolarHBondContact O-N 2.7Å; Q526-K541 VanDerWaalsContact O-N 3.1Å
527	K	98.7	Very high	96.2	Very high	56 Å²	56	51.1 Å²	51.1	24%	0.243	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	138.6	178.6	-73.5	169.9	-178.6	157.2	0	110.7	P519 F521 E525 I538 M539 T540	P519-K527 HydrophobicContact CB-CB 4.18Å; P519-K527 HydrophobicContact CB-CD 4.07Å; P519-K527 HydrophobicContact CG-CB 3.67Å; P519-K527 HydrophobicContact CG-CD 4.19Å; P519-K527 HydrophobicContact CG-CG 4.45Å; F521-K527 WeakPolarHBondContact CD2-O 3.24Å; E525-K527 HydrophobicContact CB-CD 4.31Å; E525-K527 HydrophobicContact CB-CG 4.08Å; E525-K527 PolarHBondContact O-N 3.19Å; E525-K527 WeakPolarHBondContact OE1-CE 3.2Å; E525-K527 IonicContact OE1-NZ 2.71Å; E525-K527 PolarHBondContact OE1-NZ 2.92Å; E525-K527 WeakPolarHBondContact OE2-CE 3.22Å; E525-K527 IonicContact OE2-NZ 3.87Å; E525-K527 PolarHBondContact OE2-NZ 2.88Å; K527-I538 HydrophobicContact CB-CG2 4.27Å; K527-I538 HydrophobicContact CD-CG2 4.39Å; K527-I538 HydrophobicContact CG-CG2 4.21Å; K527-M539 CarbonylContact C-O 3.55Å; K527-M539 VanDerWaalsContact CA-O 3.27Å; K527-M539 WeakPolarHBondContact CA-O 3.34Å; K527-T540 HydrophobicContact CG-CG2 3.66Å
528	Y	98.7	Very high	96.4	Very high	17 Å²	17	51.4 Å²	51.4	7%	0.067	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	161.9	174.1	67.8	-84.5	0	0	0	110.8	F446 Y448 T530 I538 M539 L542	F446-Y528 HydrophobicContact CD1-CG 4.49Å; F446-Y528 WeakPolarHBondContact O-CA 3.33Å; F446-Y528 WeakPolarHBondContact O-CB 3.22Å; Y448-Y528 HydrophobicContact CD1-CE2 4.26Å; Y448-Y528 HydrophobicContact CG-CE2 4.2Å; Y528-T530 HydrophobicContact CD2-CG2 4.49Å; Y528-T530 HydrophobicContact CE2-CG2 3.95Å; Y528-I538 WeakPolarHBondContact O-CA 3.45Å; Y528-M539 HydrophobicContact CD1-CB 4.11Å; Y528-M539 HydrophobicContact CD2-CB 4.28Å; Y528-M539 HydrophobicContact CE1-CB 3.46Å; Y528-M539 VanDerWaalsContact CE1-CB 3.46Å; Y528-M539 HydrophobicContact CE2-CB 3.7Å; Y528-M539 HydrophobicContact CE2-CG 4.32Å; Y528-M539 HydrophobicContact CG-CB 4.48Å; Y528-M539 PolarHBondContact N-O 3.2Å; Y528-M539 PolarHBondContact O-N 2.73Å; Y528-M539 WeakPolarHBondContact OH-CB 3.46Å; Y528-L542 HydrophobicContact CD1-CB 3.99Å; Y528-L542 HydrophobicContact CE1-CB 3.54Å; Y528-L542 HydrophobicContact CE1-CD1 4.45Å; Y528-L542 HydrophobicContact CE2-CB 4.42Å; Y528-L542 HydrophobicContact CE2-CD1 4.12Å
529	L	98.4	Very high	96.5	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	129.2	179.7	-165.9	73.1	0	0	0	110.4	F446 Y447 Y448 T516 W518 L531 T536 R537 I538	F446-L529 PolarHBondContact O-N 3.38Å; Y447-L529 CarbonylContact C-O 3.51Å; Y447-L529 VanDerWaalsContact CA-O 3.24Å; Y447-L529 WeakPolarHBondContact CA-O 3.32Å; Y448-L529 PolarHBondContact N-O 3.04Å; T516-L529 HydrophobicContact CG2-CD1 3.95Å; W518-L529 HydrophobicContact CB-CD2 4.06Å; W518-L529 HydrophobicContact CD2-CB 3.94Å; W518-L529 HydrophobicContact CD2-CD2 3.53Å; W518-L529 HydrophobicContact CD2-CG 4.37Å; W518-L529 HydrophobicContact CE3-CD2 3.57Å; W518-L529 HydrophobicContact CG-CB 3.98Å; W518-L529 HydrophobicContact CG-CD2 3.75Å; W518-L529 HydrophobicContact CG-CG 4.4Å; W518-L529 HydrophobicContact CZ2-CB 4.46Å; W518-L529 HydrophobicContact CZ3-CD2 4.26Å; L529-L531 HydrophobicContact CD2-CD2 4.03Å; L529-L531 HydrophobicContact CG-CD2 4.46Å; L529-T536 HydrophobicContact CD1-CG2 3.41Å; L529-T536 VanDerWaalsContact CD1-CG2 3.41Å; L529-T536 HydrophobicContact CD2-CG2 3.63Å; L529-T536 HydrophobicContact CG-CG2 3.42Å; L529-T536 VanDerWaalsContact CG-CG2 3.42Å; L529-R537 WeakPolarHBondContact CA-O 3.41Å; L529-I538 HydrophobicContact CD1-CG1 4.1Å
530	T	98.5	Very high	96.6	Very high	4 Å²	4	58 Å²	58	3%	0.025	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	137.3	171.2	62.1	0	0	0	0	111	Y448 E450 Y528 T536 R537 M539	Y448-T530 CarbonylContact O-C 3.22Å; Y448-T530 WeakPolarHBondContact O-CA 3.3Å; E450-T530 WeakPolarHBondContact OE2-CB 3.39Å; Y528-T530 HydrophobicContact CD2-CG2 4.49Å; Y528-T530 HydrophobicContact CE2-CG2 3.95Å; T530-T536 WeakPolarHBondContact O-CG2 3.23Å; T530-R537 PolarHBondContact N-O 2.81Å; T530-R537 PolarHBondContact OG1-N 3.17Å; T530-R537 PolarHBondContact OG1-O 2.91Å; T530-M539 HydrophobicContact CG2-CG 3.83Å
531	L	98.3	Very high	96.5	Very high	3 Å²	3	61.5 Å²	61.5	2%	0.016	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	106.3	179.2	-58.8	178.8	0	0	0	109.2	Y447 Y448 F449 E450 I495 W499 L529	Y447-L531 HydrophobicContact CD2-CD1 3.81Å; Y447-L531 HydrophobicContact CG-CD1 3.8Å; Y448-L531 PolarHBondContact O-N 2.78Å; F449-L531 HydrophobicContact CD2-CB 3.97Å; E450-L531 PolarHBondContact N-O 3.38Å; I495-L531 HydrophobicContact CD1-CD1 4.42Å; I495-L531 HydrophobicContact CG1-CD1 4.32Å; W499-L531 HydrophobicContact CH2-CD1 3.85Å; W499-L531 HydrophobicContact CZ3-CD1 4.1Å; L529-L531 HydrophobicContact CD2-CD2 4.03Å; L529-L531 HydrophobicContact CG-CD2 4.46Å
532	N	97.4	Very high	96.5	Very high	22 Å²	22	61.8 Å²	61.8	12%	0.118	31%	0.308	C	S	.	.			trans	-152.3	174.9	175.1	61.3	56.4	0	0	0	111.4	E450 H451 E534 S535	E450-N532 HydrophobicContact CB-CB 4.29Å; E450-N532 PolarHBondContact OE2-ND2 3.18Å; H451-N532 HydrophobicContact CB-CB 4.43Å; N532-E534 PolarHBondContact OD1-N 2.65Å; N532-E534 VanDerWaalsContact OD1-N 3.08Å; N532-S535 PolarHBondContact OD1-N 2.85Å; N532-S535 PolarHBondContact OD1-O 2.81Å
533	T	95.6	Very high	96.5	Very high	55 Å²	55	58.9 Å²	58.9	34%	0.337	30%	0.295	S	S	.	.	S	Bend	trans	-79.3	-16.6	-178.5	46.5	0	0	0	0	114.3	H451 A487 E488 L491	H451-T533 VanDerWaalsContact CE1-CG2 3.44Å; H451-T533 WeakPolarHBondContact CE1-CG2 3.27Å; H451-T533 VanDerWaalsContact ND1-CG2 3.34Å; H451-T533 WeakPolarHBondContact ND1-CG2 3.43Å; H451-T533 PolarHBondContact ND1-OG1 3.23Å; A487-T533 HydrophobicContact CB-CG2 3.79Å; E488-T533 HydrophobicContact CG-CG2 4.33Å; L491-T533 HydrophobicContact CB-CG2 4.09Å; L491-T533 HydrophobicContact CD2-CG2 3.87Å
534	E	91.8	Very high	96.7	Very high	170 Å²	170	59.6 Å²	59.6	79%	0.794	30%	0.303	S	S	*	.	S	Bend	trans	-85.4	-67.8	-176.4	-62.8	-178.6	-179.2	0	0	112.2	N532	N532-E534 PolarHBondContact OD1-N 2.65Å; N532-E534 VanDerWaalsContact OD1-N 3.08Å
535	S	87.3	Confident	96.8	Very high	41 Å²	41	60.8 Å²	60.8	29%	0.287	30%	0.3	S	S	.	.			trans	-154.8	119.7	-176.1	58.6	0	0	0	0	111.1	N532 R537	N532-S535 PolarHBondContact OD1-N 2.85Å; N532-S535 PolarHBondContact OD1-O 2.81Å; S535-R537 PolarHBondContact O-N 2.89Å; S535-R537 PolarHBondContact OG-NE 3.31Å; S535-R537 PolarHBondContact OG-NH2 2.76Å
536	T	92.3	Very high	96.9	Very high	36 Å²	36	58.7 Å²	58.7	22%	0.221	29%	0.291	C	S	.	.			trans	-71.6	114.8	172.2	-52.8	0	0	0	0	109.9	T516 L529 T530	T516-T536 PolarHBondContact OG1-O 3.4Å; L529-T536 HydrophobicContact CD1-CG2 3.41Å; L529-T536 VanDerWaalsContact CD1-CG2 3.41Å; L529-T536 HydrophobicContact CD2-CG2 3.63Å; L529-T536 HydrophobicContact CG-CG2 3.42Å; L529-T536 VanDerWaalsContact CG-CG2 3.42Å; T530-T536 WeakPolarHBondContact O-CG2 3.23Å
537	R	96.2	Very high	96.9	Very high	148 Å²	148	57.3 Å²	57.3	56%	0.558	29%	0.285	S	S	*	.			trans	-116.5	149.5	-176.3	-62.4	178.9	-171.4	-161.6	3.8	111.5	L529 T530 S535 M539	L529-R537 WeakPolarHBondContact CA-O 3.41Å; T530-R537 PolarHBondContact N-O 2.81Å; T530-R537 PolarHBondContact OG1-N 3.17Å; T530-R537 PolarHBondContact OG1-O 2.91Å; S535-R537 PolarHBondContact O-N 2.89Å; S535-R537 PolarHBondContact OG-NE 3.31Å; S535-R537 PolarHBondContact OG-NH2 2.76Å; R537-M539 HydrophobicContact CB-CG 4.41Å; R537-M539 HydrophobicContact CB-SD 4.41Å
538	I	97.9	Very high	96.9	Very high	78 Å²	78	63.7 Å²	63.7	40%	0.4	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	119.9	168.3	-60.3	171.3	0	0	0	107.4	T516 S517 P519 K527 Y528 L529	T516-I538 HydrophobicContact CG2-CD1 4.1Å; T516-I538 HydrophobicContact CG2-CG1 3.91Å; S517-I538 WeakPolarHBondContact O-CD1 3.2Å; P519-I538 HydrophobicContact CG-CD1 4.21Å; P519-I538 HydrophobicContact CG-CG1 4.28Å; P519-I538 HydrophobicContact CG-CG2 3.83Å; K527-I538 HydrophobicContact CB-CG2 4.27Å; K527-I538 HydrophobicContact CD-CG2 4.39Å; K527-I538 HydrophobicContact CG-CG2 4.21Å; Y528-I538 WeakPolarHBondContact O-CA 3.45Å; L529-I538 HydrophobicContact CD1-CG1 4.1Å
539	M	98.3	Very high	96.9	Very high	87 Å²	87	63.5 Å²	63.5	43%	0.429	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	172.2	178.3	-61	-63.1	-74.5	0	0	109	K527 Y528 T530 R537	K527-M539 CarbonylContact C-O 3.55Å; K527-M539 VanDerWaalsContact CA-O 3.27Å; K527-M539 WeakPolarHBondContact CA-O 3.34Å; Y528-M539 HydrophobicContact CD1-CB 4.11Å; Y528-M539 HydrophobicContact CD2-CB 4.28Å; Y528-M539 HydrophobicContact CE1-CB 3.46Å; Y528-M539 VanDerWaalsContact CE1-CB 3.46Å; Y528-M539 HydrophobicContact CE2-CB 3.7Å; Y528-M539 HydrophobicContact CE2-CG 4.32Å; Y528-M539 HydrophobicContact CG-CB 4.48Å; Y528-M539 PolarHBondContact N-O 3.2Å; Y528-M539 PolarHBondContact O-N 2.73Å; Y528-M539 WeakPolarHBondContact OH-CB 3.46Å; T530-M539 HydrophobicContact CG2-CG 3.83Å; R537-M539 HydrophobicContact CB-CG 4.41Å; R537-M539 HydrophobicContact CB-SD 4.41Å
540	T	98.6	Very high	96.8	Very high	77 Å²	77	64.1 Å²	64.1	47%	0.472	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	149.8	-179.9	55.9	0	0	0	0	110.5	E525 Q526 K527 L542	E525-T540 WeakPolarHBondContact O-CB 3.26Å; E525-T540 WeakPolarHBondContact O-CG2 3.21Å; Q526-T540 WeakPolarHBondContact O-CA 3.44Å; K527-T540 HydrophobicContact CG-CG2 3.66Å; T540-L542 PolarHBondContact O-N 3.35Å
541	K	98.2	Very high	96.6	Very high	116 Å²	116	66.7 Å²	66.7	50%	0.504	33%	0.326	S	S	.	.	S	Bend	trans	57	52.3	169	-61.3	-176.9	179.3	-179	0	113.3	Q526 R543 A544	Q526-K541 HydrophobicContact CB-CG 4.25Å; Q526-K541 PolarHBondContact O-N 2.7Å; Q526-K541 VanDerWaalsContact O-N 3.1Å; K541-R543 PolarHBondContact O-N 3.3Å; K541-A544 HydrophobicContact CB-CB 3.92Å; K541-A544 WeakPolarHBondContact O-CB 3.48Å; K541-A544 PolarHBondContact O-N 2.89Å
542	L	98.6	Very high	96.4	Very high	8 Å²	8	69.5 Å²	69.5	4%	0.042	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.4	128.5	175	179.8	63.1	0	0	0	110.6	V349 I427 L431 F446 Y448 Y528 T540 A544	V349-L542 HydrophobicContact CG2-CD2 4.14Å; I427-L542 HydrophobicContact CG2-CD2 3.97Å; I427-L542 HydrophobicContact CG2-CG 4.28Å; L431-L542 HydrophobicContact CD1-CB 4.13Å; L431-L542 HydrophobicContact CD1-CD2 4.3Å; L431-L542 HydrophobicContact CD1-CG 4.28Å; L431-L542 WeakPolarHBondContact CD1-O 3.43Å; L431-L542 HydrophobicContact CD2-CB 4.27Å; L431-L542 HydrophobicContact CD2-CD2 4.46Å; F446-L542 HydrophobicContact CE1-CD2 3.7Å; F446-L542 HydrophobicContact CZ-CD2 4.42Å; Y448-L542 HydrophobicContact CD1-CD1 4.07Å; Y448-L542 HydrophobicContact CD2-CD1 3.97Å; Y448-L542 HydrophobicContact CD2-CD2 3.71Å; Y448-L542 HydrophobicContact CE1-CD1 4.09Å; Y448-L542 HydrophobicContact CE2-CD1 3.97Å; Y448-L542 HydrophobicContact CE2-CD2 4.18Å; Y448-L542 HydrophobicContact CG-CD1 4Å; Y448-L542 HydrophobicContact CG-CD2 4.16Å; Y528-L542 HydrophobicContact CD1-CB 3.99Å; Y528-L542 HydrophobicContact CE1-CB 3.54Å; Y528-L542 HydrophobicContact CE1-CD1 4.45Å; Y528-L542 HydrophobicContact CE2-CB 4.42Å; Y528-L542 HydrophobicContact CE2-CD1 4.12Å; T540-L542 PolarHBondContact O-N 3.35Å; L542-A544 PolarHBondContact O-N 2.84Å
543	R	97.9	Very high	96.4	Very high	48 Å²	48	73 Å²	73	18%	0.181	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.1	33.7	175.1	-62.5	-76.7	-173	166.3	9.5	114	D419 D423 I427 K541 Q545 Q546 C547	D419-R543 VanDerWaalsContact CG-NH1 3.32Å; D419-R543 IonicContact OD1-CZ 3.39Å; D419-R543 IonicContact OD1-NH1 3.56Å; D419-R543 IonicContact OD1-NH2 2.66Å; D419-R543 PolarHBondContact OD1-NH2 2.75Å; D419-R543 IonicContact OD2-CZ 3.36Å; D419-R543 IonicContact OD2-NH1 2.85Å; D419-R543 PolarHBondContact OD2-NH1 3.09Å; D419-R543 IonicContact OD2-NH2 2.57Å; D419-R543 PolarHBondContact OD2-NH2 2.76Å; D423-R543 IonicContact OD1-NE 3.61Å; I427-R543 HydrophobicContact CG2-CB 4.34Å; I427-R543 HydrophobicContact CG2-CG 4.14Å; K541-R543 PolarHBondContact O-N 3.3Å; R543-Q545 VanDerWaalsContact C-N 3.3Å; R543-Q545 PolarHBondContact O-N 3.39Å; R543-Q546 HydrophobicContact CB-CB 4.36Å; R543-Q546 PolarHBondContact O-N 2.96Å; R543-Q546 PolarHBondContact O-OE1 3.22Å; R543-C547 PolarHBondContact O-N 3.03Å
544	A	97.7	Very high	96.3	Very high	46 Å²	46	70.5 Å²	70.5	38%	0.38	35%	0.345	S	S	.	.	H	α-helix	trans	-62.5	-31.1	-167.9	0	0	0	0	0	115	K541 L542 R548	K541-A544 HydrophobicContact CB-CB 3.92Å; K541-A544 WeakPolarHBondContact O-CB 3.48Å; K541-A544 PolarHBondContact O-N 2.89Å; L542-A544 PolarHBondContact O-N 2.84Å; A544-R548 VanDerWaalsContact O-CB 3.29Å; A544-R548 WeakPolarHBondContact O-CB 3.33Å; A544-R548 PolarHBondContact O-N 3.16Å; A544-R548 VanDerWaalsContact O-N 3.12Å
545	Q	97.8	Very high	96.3	Very high	133 Å²	133	64.8 Å²	64.8	62%	0.621	32%	0.322	S	S	*	.	H	α-helix	trans	-68.4	-50.5	175.6	176.6	176.3	-9.2	0	0	110.9	R543 R548 F549	R543-Q545 VanDerWaalsContact C-N 3.3Å; R543-Q545 PolarHBondContact O-N 3.39Å; Q545-R548 PolarHBondContact O-N 2.93Å; Q545-F549 PolarHBondContact O-N 2.89Å
546	Q	98.5	Very high	96.5	Very high	45 Å²	45	68.4 Å²	68.4	21%	0.21	33%	0.333	C	S	.	.	H	α-helix	trans	-61.3	-48.1	179.4	-66.7	83	-2.4	0	0	111.2	Y401 D423 R543 R548 F549 W550	Y401-Q546 HydrophobicContact CE1-CG 4.01Å; Y401-Q546 WeakPolarHBondContact OH-CB 3.49Å; D423-Q546 WeakPolarHBondContact OD2-CB 3.23Å; D423-Q546 WeakPolarHBondContact OD2-CG 3.44Å; R543-Q546 HydrophobicContact CB-CB 4.36Å; R543-Q546 PolarHBondContact O-N 2.96Å; R543-Q546 PolarHBondContact O-OE1 3.22Å; Q546-R548 VanDerWaalsContact C-N 3.32Å; Q546-R548 PolarHBondContact O-N 2.9Å; Q546-F549 WeakPolarHBondContact O-CB 3.21Å; Q546-F549 PolarHBondContact O-N 2.85Å; Q546-F549 VanDerWaalsContact O-N 3.09Å; Q546-W550 VanDerWaalsContact O-CD1 3.23Å; Q546-W550 PolarHBondContact O-N 2.94Å; Q546-W550 VanDerWaalsContact O-N 3.12Å
547	C	98.3	Very high	96.3	Very high	13 Å²	13	66.9 Å²	66.9	9%	0.088	32%	0.323	C	S	.	.	H	α-helix	trans	-67.3	-32.8	179.4	-63.7	0	0	0	0	112.5	C428 R543 F549 W550 T551	C428-C547 WeakPolarHBondContact CA-SG 3.39Å; C428-C547 HydrophobicContact CB-CB 3.7Å; C428-C547 WeakPolarHBondContact CB-SG 3.49Å; C428-C547 WeakPolarHBondContact SG-CA 3.22Å; C428-C547 WeakPolarHBondContact SG-CB 3.45Å; C428-C547 CovalentContact SG-SG 2.05Å; C428-C547 PolarHBondContact SG-SG 2.74Å; R543-C547 PolarHBondContact O-N 3.03Å; C547-F549 VanDerWaalsContact C-N 3.27Å; C547-F549 PolarHBondContact O-N 3.32Å; C547-W550 PolarHBondContact O-N 3.39Å; C547-T551 WeakPolarHBondContact O-CB 3.21Å; C547-T551 VanDerWaalsContact O-CG2 3.32Å; C547-T551 WeakPolarHBondContact O-CG2 3.46Å; C547-T551 PolarHBondContact O-N 2.91Å; C547-T551 PolarHBondContact O-OG1 2.99Å
548	R	97.9	Very high	95.9	Very high	191 Å²	191	62.9 Å²	62.9	72%	0.721	31%	0.313	S	S	*	.	H	α-helix	trans	-62.2	-36.1	172.2	-176.8	176.5	-179.4	164.2	0.8	112.2	A544 Q545 Q546 S552	A544-R548 VanDerWaalsContact O-CB 3.29Å; A544-R548 WeakPolarHBondContact O-CB 3.33Å; A544-R548 PolarHBondContact O-N 3.16Å; A544-R548 VanDerWaalsContact O-N 3.12Å; Q545-R548 PolarHBondContact O-N 2.93Å; Q546-R548 VanDerWaalsContact C-N 3.32Å; Q546-R548 PolarHBondContact O-N 2.9Å; R548-S552 WeakPolarHBondContact O-CB 3.44Å; R548-S552 PolarHBondContact O-N 2.86Å; R548-S552 VanDerWaalsContact O-N 3.15Å
549	F	98.4	Very high	95.2	Very high	13 Å²	13	66.4 Å²	66.4	6%	0.057	33%	0.328	C	S	.	.	I	π-helix	trans	-61.2	-53.3	172.7	169	-93.1	0	0	0	110.5	I397 H400 Y401 Q545 Q546 C547 T551 F553 F554	I397-F549 HydrophobicContact CB-CZ 4.43Å; I397-F549 HydrophobicContact CG1-CE1 4.06Å; I397-F549 HydrophobicContact CG1-CZ 3.91Å; H400-F549 HydrophobicContact CB-CD2 4.01Å; H400-F549 HydrophobicContact CB-CE2 4.07Å; H400-F549 HydrophobicContact CB-CG 4.33Å; H400-F549 HydrophobicContact CB-CZ 4.46Å; H400-F549 AromaticContact CD2-CG 3.88Å; H400-F549 AromaticContact CG-CD2 3.8Å; H400-F549 AromaticContact CG-CG 3.82Å; H400-F549 AromaticContact ND1-CD2 3.86Å; Y401-F549 HydrophobicContact CE2-CD1 4.48Å; Q545-F549 PolarHBondContact O-N 2.89Å; Q546-F549 WeakPolarHBondContact O-CB 3.21Å; Q546-F549 PolarHBondContact O-N 2.85Å; Q546-F549 VanDerWaalsContact O-N 3.09Å; C547-F549 VanDerWaalsContact C-N 3.27Å; C547-F549 PolarHBondContact O-N 3.32Å; F549-T551 PolarHBondContact O-N 3.16Å; F549-F553 HydrophobicContact CD2-CB 4.38Å; F549-F553 AromaticContact CD2-CD1 3.59Å; F549-F553 HydrophobicContact CD2-CD1 3.59Å; F549-F553 HydrophobicContact CD2-CE1 4.33Å; F549-F553 HydrophobicContact CD2-CG 4.34Å; F549-F553 AromaticContact CE2-CD1 3.43Å; F549-F553 HydrophobicContact CE2-CD1 3.43Å; F549-F553 VanDerWaalsContact CE2-CD1 3.43Å; F549-F553 AromaticContact CE2-CE1 3.81Å; F549-F553 HydrophobicContact CE2-CE1 3.81Å; F549-F553 HydrophobicContact CZ-CD1 4.39Å; F549-F553 WeakPolarHBondContact O-CB 3.3Å; F549-F553 PolarHBondContact O-N 3.46Å; F549-F554 HydrophobicContact CE1-CB 4.18Å; F549-F554 HydrophobicContact CE1-CD2 4.09Å; F549-F554 HydrophobicContact CE1-CG 4.39Å; F549-F554 HydrophobicContact CZ-CB 4.38Å; F549-F554 AromaticContact CZ-CD2 3.92Å; F549-F554 HydrophobicContact CZ-CD2 3.92Å; F549-F554 PolarHBondContact O-N 3.18Å
550	W	98.1	Very high	94.5	Very high	13 Å²	13	69.8 Å²	69.8	5%	0.049	34%	0.344	C	S	.	.	I	π-helix	trans	-68.3	-34.9	-177.7	-66.5	119.7	0	0	0	115	F386 I397 Y401 V420 Y424 C428 Q546 C547 F554 P555	F386-W550 HydrophobicContact CE1-CH2 4.02Å; F386-W550 HydrophobicContact CE1-CZ3 4.08Å; F386-W550 HydrophobicContact CE2-CH2 4.47Å; F386-W550 AromaticContact CZ-CH2 3.64Å; F386-W550 HydrophobicContact CZ-CH2 3.64Å; F386-W550 HydrophobicContact CZ-CZ2 4.5Å; F386-W550 HydrophobicContact CZ-CZ3 4.17Å; I397-W550 HydrophobicContact CB-CH2 4.47Å; I397-W550 HydrophobicContact CD1-CH2 3.72Å; I397-W550 HydrophobicContact CD1-CZ3 4.12Å; I397-W550 HydrophobicContact CG1-CH2 3.64Å; I397-W550 HydrophobicContact CG1-CZ3 4.09Å; I397-W550 HydrophobicContact CG2-CH2 4.02Å; I397-W550 HydrophobicContact CG2-CZ2 4.24Å; Y401-W550 AromaticContact CE2-CE2 3.97Å; Y401-W550 AromaticContact CE2-CZ2 3.83Å; Y401-W550 HydrophobicContact CE2-CZ2 3.83Å; Y401-W550 AromaticContact CE2-NE1 3.69Å; Y401-W550 AromaticContact CZ-NE1 3.61Å; Y401-W550 PolarHBondContact OH-NE1 2.75Å; V420-W550 HydrophobicContact CG1-CH2 4.32Å; V420-W550 HydrophobicContact CG1-CZ2 4.07Å; Y424-W550 AromaticContact CD2-CD2 3.73Å; Y424-W550 HydrophobicContact CD2-CD2 3.73Å; Y424-W550 AromaticContact CD2-CE3 3.29Å; Y424-W550 HydrophobicContact CD2-CE3 3.29Å; Y424-W550 HydrophobicContact CD2-CG 4.35Å; Y424-W550 HydrophobicContact CD2-CH2 4.27Å; Y424-W550 AromaticContact CD2-CZ3 3.6Å; Y424-W550 HydrophobicContact CD2-CZ3 3.6Å; Y424-W550 AromaticContact CE2-CE3 3.92Å; Y424-W550 HydrophobicContact CE2-CE3 3.92Å; Y424-W550 HydrophobicContact CE2-CZ3 4.12Å; Y424-W550 HydrophobicContact CG-CD2 4.32Å; Y424-W550 HydrophobicContact CG-CE3 4.08Å; Y424-W550 HydrophobicContact CG-CH2 4.29Å; Y424-W550 HydrophobicContact CG-CZ3 4.05Å; C428-W550 HydrophobicContact CB-CB 4.47Å; Q546-W550 VanDerWaalsContact O-CD1 3.23Å; Q546-W550 PolarHBondContact O-N 2.94Å; Q546-W550 VanDerWaalsContact O-N 3.12Å; C547-W550 PolarHBondContact O-N 3.39Å; W550-F554 HydrophobicContact CE3-CB 3.84Å; W550-F554 AromaticContact CE3-CD1 3.64Å; W550-F554 HydrophobicContact CE3-CD1 3.64Å; W550-F554 HydrophobicContact CE3-CD2 4.21Å; W550-F554 HydrophobicContact CE3-CE1 4.21Å; W550-F554 AromaticContact CE3-CG 3.63Å; W550-F554 HydrophobicContact CE3-CG 3.63Å; W550-F554 HydrophobicContact CZ3-CB 4.31Å; W550-F554 AromaticContact CZ3-CD1 3.61Å; W550-F554 HydrophobicContact CZ3-CD1 3.61Å; W550-F554 AromaticContact CZ3-CD2 3.8Å; W550-F554 HydrophobicContact CZ3-CD2 3.8Å; W550-F554 AromaticContact CZ3-CE1 3.73Å; W550-F554 HydrophobicContact CZ3-CE1 3.73Å; W550-F554 AromaticContact CZ3-CE2 3.94Å; W550-F554 HydrophobicContact CZ3-CE2 3.94Å; W550-F554 AromaticContact CZ3-CG 3.62Å; W550-F554 HydrophobicContact CZ3-CG 3.62Å; W550-F554 AromaticContact CZ3-CZ 3.89Å; W550-F554 HydrophobicContact CZ3-CZ 3.89Å; W550-P555 WeakPolarHBondContact O-CD 3.44Å; W550-P555 WeakPolarHBondContact O-CG 3.22Å
551	T	94.5	Very high	93.7	Very high	57 Å²	57	68.8 Å²	68.8	35%	0.35	34%	0.338	S	S	.	.	I	π-helix	trans	-90.4	-17.8	-175.4	63.5	0	0	0	0	113.5	C547 F549	C547-T551 WeakPolarHBondContact O-CB 3.21Å; C547-T551 VanDerWaalsContact O-CG2 3.32Å; C547-T551 WeakPolarHBondContact O-CG2 3.46Å; C547-T551 PolarHBondContact O-N 2.91Å; C547-T551 PolarHBondContact O-OG1 2.99Å; F549-T551 PolarHBondContact O-N 3.16Å
552	S	93.5	Very high	92.2	Very high	63 Å²	63	65.5 Å²	65.5	44%	0.441	34%	0.337	S	S	.	.	I	π-helix	trans	-132.9	-26.2	-170.6	-56.5	0	0	0	0	115.6	R548 K556	R548-S552 WeakPolarHBondContact O-CB 3.44Å; R548-S552 PolarHBondContact O-N 2.86Å; R548-S552 VanDerWaalsContact O-N 3.15Å; S552-K556 WeakPolarHBondContact O-CD 3.45Å; S552-K556 WeakPolarHBondContact O-CE 3.19Å
553	F	96.3	Very high	90.5	Very high	95 Å²	95	70.9 Å²	70.9	42%	0.417	37%	0.366	S	S	.	.	I	π-helix	trans	-102.8	-54	179.5	178.1	-97.2	0	0	0	111.3	F549 K556 V557	F549-F553 HydrophobicContact CD2-CB 4.38Å; F549-F553 AromaticContact CD2-CD1 3.59Å; F549-F553 HydrophobicContact CD2-CD1 3.59Å; F549-F553 HydrophobicContact CD2-CE1 4.33Å; F549-F553 HydrophobicContact CD2-CG 4.34Å; F549-F553 AromaticContact CE2-CD1 3.43Å; F549-F553 HydrophobicContact CE2-CD1 3.43Å; F549-F553 VanDerWaalsContact CE2-CD1 3.43Å; F549-F553 AromaticContact CE2-CE1 3.81Å; F549-F553 HydrophobicContact CE2-CE1 3.81Å; F549-F553 HydrophobicContact CZ-CD1 4.39Å; F549-F553 WeakPolarHBondContact O-CB 3.3Å; F549-F553 PolarHBondContact O-N 3.46Å; F553-K556 WeakPolarHBondContact O-CB 3.45Å; F553-K556 PolarHBondContact O-N 3.23Å; F553-V557 HydrophobicContact CD1-CG2 3.84Å; F553-V557 HydrophobicContact CE1-CG2 3.36Å; F553-V557 HydrophobicContact CE2-CG2 4.23Å; F553-V557 HydrophobicContact CG-CG2 4.47Å; F553-V557 HydrophobicContact CZ-CG2 3.59Å; F553-V557 PolarHBondContact O-N 3.25Å; F553-V557 VanDerWaalsContact O-N 3.13Å
554	F	94.9	Very high	88.7	Confident	3 Å²	3	74.7 Å²	74.7	1%	0.013	39%	0.388	C	S	.	.	H	α-helix	trans	-57	-42	-175.2	-168.3	-106.3	0	0	0	114.2	F386 V389 I397 Y424 F549 W550 K556 V557 L558	F386-F554 HydrophobicContact CD1-CZ 4.22Å; F386-F554 HydrophobicContact CE1-CZ 4.34Å; V389-F554 HydrophobicContact CG1-CE2 4.24Å; V389-F554 HydrophobicContact CG1-CZ 4Å; V389-F554 HydrophobicContact CG2-CZ 4.1Å; I397-F554 HydrophobicContact CD1-CD2 4.45Å; I397-F554 HydrophobicContact CD1-CE2 3.58Å; I397-F554 HydrophobicContact CD1-CZ 3.92Å; I397-F554 HydrophobicContact CG1-CD2 4.16Å; I397-F554 HydrophobicContact CG1-CE2 3.73Å; Y424-F554 HydrophobicContact CE2-CD1 4.24Å; Y424-F554 HydrophobicContact CE2-CE1 4.16Å; F549-F554 HydrophobicContact CE1-CB 4.18Å; F549-F554 HydrophobicContact CE1-CD2 4.09Å; F549-F554 HydrophobicContact CE1-CG 4.39Å; F549-F554 HydrophobicContact CZ-CB 4.38Å; F549-F554 AromaticContact CZ-CD2 3.92Å; F549-F554 HydrophobicContact CZ-CD2 3.92Å; F549-F554 PolarHBondContact O-N 3.18Å; W550-F554 HydrophobicContact CE3-CB 3.84Å; W550-F554 AromaticContact CE3-CD1 3.64Å; W550-F554 HydrophobicContact CE3-CD1 3.64Å; W550-F554 HydrophobicContact CE3-CD2 4.21Å; W550-F554 HydrophobicContact CE3-CE1 4.21Å; W550-F554 AromaticContact CE3-CG 3.63Å; W550-F554 HydrophobicContact CE3-CG 3.63Å; W550-F554 HydrophobicContact CZ3-CB 4.31Å; W550-F554 AromaticContact CZ3-CD1 3.61Å; W550-F554 HydrophobicContact CZ3-CD1 3.61Å; W550-F554 AromaticContact CZ3-CD2 3.8Å; W550-F554 HydrophobicContact CZ3-CD2 3.8Å; W550-F554 AromaticContact CZ3-CE1 3.73Å; W550-F554 HydrophobicContact CZ3-CE1 3.73Å; W550-F554 AromaticContact CZ3-CE2 3.94Å; W550-F554 HydrophobicContact CZ3-CE2 3.94Å; W550-F554 AromaticContact CZ3-CG 3.62Å; W550-F554 HydrophobicContact CZ3-CG 3.62Å; W550-F554 AromaticContact CZ3-CZ 3.89Å; W550-F554 HydrophobicContact CZ3-CZ 3.89Å; F554-K556 VanDerWaalsContact C-N 3.28Å; F554-K556 PolarHBondContact O-N 3.08Å; F554-V557 WeakPolarHBondContact O-CB 3.49Å; F554-V557 PolarHBondContact O-N 2.91Å; F554-L558 HydrophobicContact CD1-CD1 4.14Å; F554-L558 HydrophobicContact CD1-CG 4.34Å; F554-L558 HydrophobicContact CE1-CD1 3.85Å; F554-L558 HydrophobicContact CE1-CD2 4.12Å; F554-L558 HydrophobicContact CE1-CG 4.08Å; F554-L558 HydrophobicContact CZ-CD2 4.07Å; F554-L558 HydrophobicContact CZ-CG 4.46Å; F554-L558 PolarHBondContact O-N 2.84Å
555	P	92.2	Very high	86.8	Confident	50 Å²	50	77.7 Å²	77.7	33%	0.325	40%	0.398	S	S	.	.	H	α-helix	trans	-60.5	-37.6	176.6	-24.5	36.4	0	0	0	112.5	W550 V557 L558 E559	W550-P555 WeakPolarHBondContact O-CD 3.44Å; W550-P555 WeakPolarHBondContact O-CG 3.22Å; P555-V557 VanDerWaalsContact C-N 3.32Å; P555-V557 PolarHBondContact O-N 3.44Å; P555-L558 WeakPolarHBondContact O-CB 3.18Å; P555-L558 PolarHBondContact O-N 2.91Å; P555-E559 WeakPolarHBondContact O-CG 3.3Å; P555-E559 PolarHBondContact O-N 3.01Å
556	K	90.4	Very high	84.9	Confident	116 Å²	116	76.7 Å²	76.7	50%	0.504	39%	0.393	S	S	.	.	H	α-helix	trans	-68.3	-33.1	175.9	-61.9	-178.8	-179.5	-179.8	0	112.2	S552 F553 F554 L558 E559 M560	S552-K556 WeakPolarHBondContact O-CD 3.45Å; S552-K556 WeakPolarHBondContact O-CE 3.19Å; F553-K556 WeakPolarHBondContact O-CB 3.45Å; F553-K556 PolarHBondContact O-N 3.23Å; F554-K556 VanDerWaalsContact C-N 3.28Å; F554-K556 PolarHBondContact O-N 3.08Å; K556-L558 VanDerWaalsContact C-N 3.31Å; K556-E559 PolarHBondContact O-N 3.15Å; K556-M560 WeakPolarHBondContact O-CB 3.34Å; K556-M560 VanDerWaalsContact O-CG 3.22Å; K556-M560 WeakPolarHBondContact O-CG 3.27Å; K556-M560 PolarHBondContact O-N 2.86Å
557	V	88.6	Confident	83	Confident	5 Å²	5	77.4 Å²	77.4	3%	0.03	41%	0.407	C	S	.	.	H	α-helix	trans	-63.4	-42.7	173	177.8	0	0	0	0	110.2	F392 F553 F554 P555 M560 T561	F392-V557 HydrophobicContact CD1-CG1 3.68Å; F392-V557 HydrophobicContact CE1-CG1 3.94Å; F392-V557 HydrophobicContact CE1-CG2 4.2Å; F553-V557 HydrophobicContact CD1-CG2 3.84Å; F553-V557 HydrophobicContact CE1-CG2 3.36Å; F553-V557 HydrophobicContact CE2-CG2 4.23Å; F553-V557 HydrophobicContact CG-CG2 4.47Å; F553-V557 HydrophobicContact CZ-CG2 3.59Å; F553-V557 PolarHBondContact O-N 3.25Å; F553-V557 VanDerWaalsContact O-N 3.13Å; F554-V557 WeakPolarHBondContact O-CB 3.49Å; F554-V557 PolarHBondContact O-N 2.91Å; P555-V557 VanDerWaalsContact C-N 3.32Å; P555-V557 PolarHBondContact O-N 3.44Å; V557-M560 PolarHBondContact O-N 2.83Å; V557-T561 HydrophobicContact CG1-CG2 4.45Å; V557-T561 WeakPolarHBondContact O-CB 3.37Å; V557-T561 WeakPolarHBondContact O-CG2 3.37Å; V557-T561 PolarHBondContact O-N 3.13Å; V557-T561 PolarHBondContact O-OG1 3.41Å
558	L	87.3	Confident	81.1	Confident	64 Å²	64	80.9 Å²	80.9	34%	0.335	42%	0.422	S	S	.	.	H	α-helix	trans	-62.7	-44.6	174.6	-59.8	180	0	0	0	111.5	V389 F554 P555 K556 M560 T561 G562	V389-L558 HydrophobicContact CG1-CD2 4.06Å; V389-L558 HydrophobicContact CG2-CD2 3.96Å; F554-L558 HydrophobicContact CD1-CD1 4.14Å; F554-L558 HydrophobicContact CD1-CG 4.34Å; F554-L558 HydrophobicContact CE1-CD1 3.85Å; F554-L558 HydrophobicContact CE1-CD2 4.12Å; F554-L558 HydrophobicContact CE1-CG 4.08Å; F554-L558 HydrophobicContact CZ-CD2 4.07Å; F554-L558 HydrophobicContact CZ-CG 4.46Å; F554-L558 PolarHBondContact O-N 2.84Å; P555-L558 WeakPolarHBondContact O-CB 3.18Å; P555-L558 PolarHBondContact O-N 2.91Å; K556-L558 VanDerWaalsContact C-N 3.31Å; L558-M560 PolarHBondContact O-N 3.36Å; L558-T561 PolarHBondContact O-N 2.99Å; L558-G562 VanDerWaalsContact O-CA 3.24Å; L558-G562 WeakPolarHBondContact O-CA 3.33Å; L558-G562 PolarHBondContact O-N 3.34Å
559	E	83.8	Confident	79.4	Confident	152 Å²	152	77.7 Å²	77.7	71%	0.71	41%	0.41	S	S	*	.	H	α-helix	trans	-61.5	-44.3	176.6	-71.4	170.3	-172.4	0	0	112.8	P555 K556	P555-E559 WeakPolarHBondContact O-CG 3.3Å; P555-E559 PolarHBondContact O-N 3.01Å; K556-E559 PolarHBondContact O-N 3.15Å
560	M	83.5	Confident	77.5	Confident	157 Å²	157	82.3 Å²	82.3	77%	0.773	43%	0.432	S	S	*	.	H	α-helix	trans	-75.4	-23	-177.2	-70.1	177.5	-174.8	0	0	113.6	K556 V557 L558	K556-M560 WeakPolarHBondContact O-CB 3.34Å; K556-M560 VanDerWaalsContact O-CG 3.22Å; K556-M560 WeakPolarHBondContact O-CG 3.27Å; K556-M560 PolarHBondContact O-N 2.86Å; V557-M560 PolarHBondContact O-N 2.83Å; L558-M560 PolarHBondContact O-N 3.36Å
561	T	82.2	Confident	76.2	Confident	56 Å²	56	89.8 Å²	89.8	34%	0.344	46%	0.46	S	S	.	.	H	α-helix	trans	-112.4	-0.4	-177.9	65.4	0	0	0	0	113.4	S390 F392 V557 L558	S390-T561 WeakPolarHBondContact OG-CB 3.45Å; S390-T561 PolarHBondContact OG-OG1 3Å; F392-T561 HydrophobicContact CD1-CG2 4.13Å; V557-T561 HydrophobicContact CG1-CG2 4.45Å; V557-T561 WeakPolarHBondContact O-CB 3.37Å; V557-T561 WeakPolarHBondContact O-CG2 3.37Å; V557-T561 PolarHBondContact O-N 3.13Å; V557-T561 PolarHBondContact O-OG1 3.41Å; L558-T561 PolarHBondContact O-N 2.99Å
562	G	66.5	Low	74.7	Confident	47 Å²	47	91.2 Å²	91.2	49%	0.485	46%	0.462	S	S	.	.	S	Bend	trans	-71.3	155.7	-177.4	0	0	0	0	0	113	L558	L558-G562 VanDerWaalsContact O-CA 3.24Å; L558-G562 WeakPolarHBondContact O-CA 3.33Å; L558-G562 PolarHBondContact O-N 3.34Å
563	N	61.7	Low	73.1	Confident	121 Å²	121	89 Å²	89	65%	0.647	45%	0.447	S	S	*	.			trans	-80.3	129	177.7	-163	7.9	0	0	0	110.2	D565 E566	N563-D565 PolarHBondContact O-N 2.83Å; N563-E566 PolarHBondContact O-N 2.88Å
564	I	59.7	Low	71.6	Confident	128 Å²	128	85.9 Å²	85.9	66%	0.656	44%	0.441	S	S	*	.	H	α-helix	trans	-61.9	-28.6	-169.4	-72.2	167.5	0	0	0	112.8	E566 A567 E568	I564-E566 PolarHBondContact O-N 3.35Å; I564-A567 PolarHBondContact O-N 3.38Å; I564-E568 WeakPolarHBondContact O-CB 3.39Å; I564-E568 PolarHBondContact O-N 3.08Å
565	D	58.8	Low	70.3	Confident	110 Å²	110	89.9 Å²	89.9	59%	0.588	46%	0.459	S	S	*	.	H	α-helix	trans	-63.8	-36.6	-174	-61.7	-29.2	0	0	0	113.6	N563 W569	N563-D565 PolarHBondContact O-N 2.83Å; D565-W569 PolarHBondContact O-N 2.94Å
566	E	56.9	Low	69.1	Low	111 Å²	111	92.8 Å²	92.8	52%	0.519	47%	0.468	S	S	.	.	H	α-helix	trans	-74.7	-44.4	-180	-172.4	171.7	-164.6	0	0	111.1	N563 I564 E568 W569 E570	N563-E566 PolarHBondContact O-N 2.88Å; I564-E566 PolarHBondContact O-N 3.35Å; E566-E568 VanDerWaalsContact C-N 3.26Å; E566-E568 PolarHBondContact O-N 3.3Å; E566-W569 PolarHBondContact O-N 3.23Å; E566-W569 VanDerWaalsContact O-N 3.1Å; E566-E570 PolarHBondContact O-N 2.96Å
567	A	58.7	Low	68	Low	60 Å²	60	93.4 Å²	93.4	50%	0.496	47%	0.467	S	S	.	.	H	α-helix	trans	-60.5	-37	174.3	0	0	0	0	0	111.8	I564 W571	I564-A567 PolarHBondContact O-N 3.38Å; A567-W571 VanDerWaalsContact O-CB 3.26Å; A567-W571 WeakPolarHBondContact O-CB 3.46Å; A567-W571 PolarHBondContact O-N 2.78Å
568	E	58.4	Low	67.5	Low	87 Å²	87	99.8 Å²	99.8	41%	0.407	49%	0.491	S	S	.	.	H	α-helix	trans	-65.9	-38.2	175.3	-165.9	-173.8	160.7	0	0	111.8	I564 E566 K572	I564-E568 WeakPolarHBondContact O-CB 3.39Å; I564-E568 PolarHBondContact O-N 3.08Å; E566-E568 VanDerWaalsContact C-N 3.26Å; E566-E568 PolarHBondContact O-N 3.3Å; E568-K572 HydrophobicContact CG-CD 4.49Å; E568-K572 WeakPolarHBondContact O-CB 3.26Å; E568-K572 VanDerWaalsContact O-CG 3.27Å; E568-K572 WeakPolarHBondContact O-CG 3.47Å; E568-K572 PolarHBondContact O-N 3.17Å; E568-K572 WeakPolarHBondContact OE1-CE 3.42Å; E568-K572 IonicContact OE1-NZ 2.64Å; E568-K572 PolarHBondContact OE1-NZ 3.43Å
569	W	63	Low	66.7	Low	123 Å²	123	99.5 Å²	99.5	47%	0.466	49%	0.489	S	S	.	.	H	α-helix	trans	-68.4	-46.8	176.6	-170.1	94.3	0	0	0	112	Y265 D565 E566 W571 K572 A573	Y265-W569 HydrophobicContact CD2-CD2 4.32Å; Y265-W569 HydrophobicContact CD2-CH2 4.37Å; Y265-W569 HydrophobicContact CD2-CZ2 4.04Å; Y265-W569 HydrophobicContact CG-CH2 4.45Å; Y265-W569 HydrophobicContact CG-CZ3 4.42Å; D565-W569 PolarHBondContact O-N 2.94Å; E566-W569 PolarHBondContact O-N 3.23Å; E566-W569 VanDerWaalsContact O-N 3.1Å; W569-W571 VanDerWaalsContact C-N 3.28Å; W569-W571 PolarHBondContact O-N 3.35Å; W569-K572 WeakPolarHBondContact O-CB 3.26Å; W569-K572 PolarHBondContact O-N 3.26Å; W569-K572 VanDerWaalsContact O-N 3.13Å; W569-A573 HydrophobicContact CE3-CB 4.15Å; W569-A573 HydrophobicContact CH2-CB 4.07Å; W569-A573 HydrophobicContact CZ3-CB 3.82Å; W569-A573 WeakPolarHBondContact O-CB 3.42Å; W569-A573 PolarHBondContact O-N 3.08Å
570	E	59	Low	66	Low	110 Å²	110	97 Å²	97	51%	0.514	48%	0.481	S	S	.	.	H	α-helix	trans	-60.5	-40.8	176.9	-71	-167.5	151.5	0	0	111.6	E566 A573 G574	E566-E570 PolarHBondContact O-N 2.96Å; E570-A573 PolarHBondContact O-N 3.26Å; E570-G574 PolarHBondContact O-N 3.32Å
571	W	69.6	Low	65.6	Low	170 Å²	170	96.7 Å²	96.7	64%	0.644	47%	0.472	S	S	*	.	H	α-helix	trans	-61.8	-45.5	173.3	-177.9	87.4	0	0	0	111.6	A567 W569 A573 G574 F575	A567-W571 VanDerWaalsContact O-CB 3.26Å; A567-W571 WeakPolarHBondContact O-CB 3.46Å; A567-W571 PolarHBondContact O-N 2.78Å; W569-W571 VanDerWaalsContact C-N 3.28Å; W569-W571 PolarHBondContact O-N 3.35Å; W571-A573 VanDerWaalsContact C-N 3.35Å; W571-A573 PolarHBondContact O-N 3.16Å; W571-G574 PolarHBondContact O-N 3.38Å; W571-F575 HydrophobicContact CH2-CD2 4.38Å; W571-F575 HydrophobicContact CH2-CG 4.45Å; W571-F575 HydrophobicContact CZ2-CD2 4.4Å; W571-F575 VanDerWaalsContact O-CB 3.24Å; W571-F575 WeakPolarHBondContact O-CB 3.46Å; W571-F575 PolarHBondContact O-N 3.47Å
572	K	62.7	Low	65.2	Low	88 Å²	88	97.2 Å²	97.2	38%	0.383	47%	0.472	S	S	.	.	H	α-helix	trans	-60.3	-44.1	175.5	-76.9	170.3	-176.4	163.7	0	111.4	E568 W569 F575 H576	E568-K572 HydrophobicContact CG-CD 4.49Å; E568-K572 WeakPolarHBondContact O-CB 3.26Å; E568-K572 VanDerWaalsContact O-CG 3.27Å; E568-K572 WeakPolarHBondContact O-CG 3.47Å; E568-K572 PolarHBondContact O-N 3.17Å; E568-K572 WeakPolarHBondContact OE1-CE 3.42Å; E568-K572 IonicContact OE1-NZ 2.64Å; E568-K572 PolarHBondContact OE1-NZ 3.43Å; W569-K572 WeakPolarHBondContact O-CB 3.26Å; W569-K572 PolarHBondContact O-N 3.26Å; W569-K572 VanDerWaalsContact O-N 3.13Å; K572-F575 PolarHBondContact O-N 2.81Å; K572-H576 PolarHBondContact O-CD2 3.5Å; K572-H576 PolarHBondContact O-N 3.09Å
573	A	60.2	Low	65.4	Low	17 Å²	17	99.5 Å²	99.5	14%	0.14	47%	0.471	C	S	.	.	H	α-helix	trans	-64.7	-44.1	177.4	0	0	0	0	0	111.8	W569 E570 W571 H576 R577	W569-A573 HydrophobicContact CE3-CB 4.15Å; W569-A573 HydrophobicContact CH2-CB 4.07Å; W569-A573 HydrophobicContact CZ3-CB 3.82Å; W569-A573 WeakPolarHBondContact O-CB 3.42Å; W569-A573 PolarHBondContact O-N 3.08Å; E570-A573 PolarHBondContact O-N 3.26Å; W571-A573 VanDerWaalsContact C-N 3.35Å; W571-A573 PolarHBondContact O-N 3.16Å; A573-H576 PolarHBondContact O-N 3.44Å; A573-R577 PolarHBondContact O-N 3.04Å
574	G	64.8	Low	66	Low	28 Å²	28	98.4 Å²	98.4	29%	0.289	47%	0.465	S	S	.	.	H	α-helix	trans	-60.7	-43.1	173.5	0	0	0	0	0	112.2	E570 W571 R577 W578	E570-G574 PolarHBondContact O-N 3.32Å; W571-G574 PolarHBondContact O-N 3.38Å; G574-R577 PolarHBondContact O-N 2.81Å; G574-W578 WeakPolarHBondContact O-CB 3.47Å; G574-W578 PolarHBondContact O-N 2.74Å
575	F	68.8	Low	67.2	Low	87 Å²	87	98 Å²	98	38%	0.382	46%	0.455	S	S	.	.	H	α-helix	trans	-62.5	-43.2	175	179.2	-97.3	0	0	0	111.7	W571 K572 W578 N579	W571-F575 HydrophobicContact CH2-CD2 4.38Å; W571-F575 HydrophobicContact CH2-CG 4.45Å; W571-F575 HydrophobicContact CZ2-CD2 4.4Å; W571-F575 VanDerWaalsContact O-CB 3.24Å; W571-F575 WeakPolarHBondContact O-CB 3.46Å; W571-F575 PolarHBondContact O-N 3.47Å; K572-F575 PolarHBondContact O-N 2.81Å; F575-W578 HydrophobicContact CD2-CE3 4.27Å; F575-W578 HydrophobicContact CE2-CE3 4.15Å; F575-W578 HydrophobicContact CE2-CZ3 4.08Å; F575-W578 PolarHBondContact O-N 3.33Å; F575-N579 VanDerWaalsContact O-CB 3.23Å; F575-N579 WeakPolarHBondContact O-CB 3.48Å; F575-N579 PolarHBondContact O-N 2.66Å
576	H	67.3	Low	68.2	Low	111 Å²	111	98.1 Å²	98.1	51%	0.514	45%	0.451	S	S	.	.	H	α-helix	trans	-64.8	-41.3	176	-75.3	-57.1	0	0	0	112.4	K572 A573 N579 N580	K572-H576 PolarHBondContact O-CD2 3.5Å; K572-H576 PolarHBondContact O-N 3.09Å; A573-H576 PolarHBondContact O-N 3.44Å; H576-N579 PolarHBondContact O-N 2.81Å; H576-N580 WeakPolarHBondContact O-CB 3.11Å; H576-N580 VanDerWaalsContact O-CG 3.26Å; H576-N580 PolarHBondContact O-N 2.78Å; H576-N580 PolarHBondContact O-ND2 2.99Å
577	R	66.9	Low	69.4	Low	129 Å²	129	97.1 Å²	97.1	49%	0.487	45%	0.449	S	S	.	.	H	α-helix	trans	-61.1	-48.3	172.6	-78	-169.3	-69	-108.1	-0.7	111.6	A573 G574 N579 N580 Y581	A573-R577 PolarHBondContact O-N 3.04Å; G574-R577 PolarHBondContact O-N 2.81Å; R577-N579 VanDerWaalsContact C-N 3.32Å; R577-N579 PolarHBondContact O-N 2.74Å; R577-N580 PolarHBondContact O-N 3.37Å; R577-Y581 WeakPolarHBondContact O-CB 3.44Å; R577-Y581 PolarHBondContact O-N 3.31Å
578	W	78.1	Confident	70.4	Confident	140 Å²	140	100.8 Å²	100.8	53%	0.53	46%	0.456	S	S	.	.	H	α-helix	trans	-59.7	-43.3	176.7	175.8	81.8	0	0	0	111.5	G574 F575 N580 Y581 M582	G574-W578 WeakPolarHBondContact O-CB 3.47Å; G574-W578 PolarHBondContact O-N 2.74Å; F575-W578 HydrophobicContact CD2-CE3 4.27Å; F575-W578 HydrophobicContact CE2-CE3 4.15Å; F575-W578 HydrophobicContact CE2-CZ3 4.08Å; F575-W578 PolarHBondContact O-N 3.33Å; W578-N580 PolarHBondContact O-N 3.04Å; W578-Y581 WeakPolarHBondContact O-CB 3.19Å; W578-Y581 PolarHBondContact O-N 2.78Å; W578-M582 HydrophobicContact CD2-CG 3.84Å; W578-M582 VanDerWaalsContact CE2-CG 3.42Å; W578-M582 HydrophobicContact CE3-CG 4.28Å; W578-M582 HydrophobicContact CG-CG 4.39Å; W578-M582 HydrophobicContact CH2-CG 4.02Å; W578-M582 HydrophobicContact CZ2-CE 4.41Å; W578-M582 HydrophobicContact CZ2-CG 3.54Å; W578-M582 HydrophobicContact CZ2-SD 4.06Å; W578-M582 HydrophobicContact CZ3-CG 4.36Å; W578-M582 WeakPolarHBondContact O-CB 3.38Å; W578-M582 VanDerWaalsContact O-CG 3.29Å; W578-M582 WeakPolarHBondContact O-CG 3.35Å; W578-M582 PolarHBondContact O-N 3.13Å
579	N	71	Confident	71.4	Confident	57 Å²	57	101.2 Å²	101.2	31%	0.305	46%	0.456	S	S	.	.	H	α-helix	trans	-64.2	-42.3	179	-173.4	50.4	0	0	0	111.8	F575 H576 R577 M582 M583	F575-N579 VanDerWaalsContact O-CB 3.23Å; F575-N579 WeakPolarHBondContact O-CB 3.48Å; F575-N579 PolarHBondContact O-N 2.66Å; H576-N579 PolarHBondContact O-N 2.81Å; R577-N579 VanDerWaalsContact C-N 3.32Å; R577-N579 PolarHBondContact O-N 2.74Å; N579-M582 PolarHBondContact O-N 2.87Å; N579-M583 WeakPolarHBondContact O-CG 3.45Å; N579-M583 PolarHBondContact O-N 2.96Å
580	N	68.1	Low	72.4	Confident	101 Å²	101	98.8 Å²	98.8	54%	0.54	45%	0.453	S	S	.	.	H	α-helix	trans	-63.5	-44.8	174.3	-70.8	-16	0	0	0	111.3	H576 R577 W578 M582 M583 D584	H576-N580 WeakPolarHBondContact O-CB 3.11Å; H576-N580 VanDerWaalsContact O-CG 3.26Å; H576-N580 PolarHBondContact O-N 2.78Å; H576-N580 PolarHBondContact O-ND2 2.99Å; R577-N580 PolarHBondContact O-N 3.37Å; W578-N580 PolarHBondContact O-N 3.04Å; N580-M582 VanDerWaalsContact C-N 3.32Å; N580-M582 PolarHBondContact O-N 3.1Å; N580-M583 WeakPolarHBondContact O-CB 3.37Å; N580-M583 PolarHBondContact O-N 3.39Å; N580-D584 PolarHBondContact O-N 2.73Å
581	Y	75	Confident	73.4	Confident	149 Å²	149	98 Å²	98	58%	0.584	45%	0.452	S	S	*	.	H	α-helix	trans	-58.7	-42.7	173.8	173.7	-96.1	0	0	0	112.1	R577 W578 M583 D584 W585	R577-Y581 WeakPolarHBondContact O-CB 3.44Å; R577-Y581 PolarHBondContact O-N 3.31Å; W578-Y581 WeakPolarHBondContact O-CB 3.19Å; W578-Y581 PolarHBondContact O-N 2.78Å; Y581-M583 VanDerWaalsContact C-N 3.32Å; Y581-M583 PolarHBondContact O-N 3Å; Y581-D584 PolarHBondContact O-N 2.85Å; Y581-W585 WeakPolarHBondContact O-CB 3.21Å; Y581-W585 PolarHBondContact O-N 3.33Å
582	M	73.7	Confident	73.7	Confident	68 Å²	68	96.7 Å²	96.7	34%	0.335	45%	0.448	S	S	.	.	H	α-helix	trans	-66.3	-33.9	177.5	-75.4	-60.2	-63.2	0	0	112.4	W578 N579 N580 K586	W578-M582 HydrophobicContact CD2-CG 3.84Å; W578-M582 VanDerWaalsContact CE2-CG 3.42Å; W578-M582 HydrophobicContact CE3-CG 4.28Å; W578-M582 HydrophobicContact CG-CG 4.39Å; W578-M582 HydrophobicContact CH2-CG 4.02Å; W578-M582 HydrophobicContact CZ2-CE 4.41Å; W578-M582 HydrophobicContact CZ2-CG 3.54Å; W578-M582 HydrophobicContact CZ2-SD 4.06Å; W578-M582 HydrophobicContact CZ3-CG 4.36Å; W578-M582 WeakPolarHBondContact O-CB 3.38Å; W578-M582 VanDerWaalsContact O-CG 3.29Å; W578-M582 WeakPolarHBondContact O-CG 3.35Å; W578-M582 PolarHBondContact O-N 3.13Å; N579-M582 PolarHBondContact O-N 2.87Å; N580-M582 VanDerWaalsContact C-N 3.32Å; N580-M582 PolarHBondContact O-N 3.1Å; M582-K586 WeakPolarHBondContact O-CB 3.33Å; M582-K586 PolarHBondContact O-N 3.26Å
583	M	71.9	Confident	74.4	Confident	94 Å²	94	94.8 Å²	94.8	46%	0.463	44%	0.444	S	S	.	.	H	α-helix	trans	-66.5	-44.8	172.2	-75.1	-65.5	-167	0	0	111.5	N579 N580 Y581 K586 N587	N579-M583 WeakPolarHBondContact O-CG 3.45Å; N579-M583 PolarHBondContact O-N 2.96Å; N580-M583 WeakPolarHBondContact O-CB 3.37Å; N580-M583 PolarHBondContact O-N 3.39Å; Y581-M583 VanDerWaalsContact C-N 3.32Å; Y581-M583 PolarHBondContact O-N 3Å; M583-K586 PolarHBondContact O-N 3.1Å; M583-N587 WeakPolarHBondContact O-CB 3.44Å; M583-N587 PolarHBondContact O-N 2.9Å; M583-N587 PolarHBondContact O-ND2 2.83Å
584	D	72.7	Confident	75	Confident	98 Å²	98	96.8 Å²	96.8	52%	0.524	46%	0.457	S	S	.	.	H	α-helix	trans	-63.8	-44.3	175.5	-86	-2.2	0	0	0	112	N580 Y581 K586 N587 Q588	N580-D584 PolarHBondContact O-N 2.73Å; Y581-D584 PolarHBondContact O-N 2.85Å; D584-K586 VanDerWaalsContact C-N 3.32Å; D584-K586 PolarHBondContact O-N 3.3Å; D584-N587 PolarHBondContact O-N 3.5Å; D584-Q588 WeakPolarHBondContact O-CG 3.41Å; D584-Q588 PolarHBondContact O-N 3.29Å
585	W	85.4	Confident	75.1	Confident	119 Å²	119	101.9 Å²	101.9	45%	0.451	47%	0.471	S	S	.	.	H	α-helix	trans	-59.4	-44.7	174.3	-177.7	88.8	0	0	0	111.2	Y581 N587 Q588 F589	Y581-W585 WeakPolarHBondContact O-CB 3.21Å; Y581-W585 PolarHBondContact O-N 3.33Å; W585-N587 VanDerWaalsContact C-N 3.33Å; W585-N587 PolarHBondContact O-N 3.36Å; W585-Q588 PolarHBondContact O-N 2.9Å; W585-F589 HydrophobicContact CE3-CB 4.34Å; W585-F589 HydrophobicContact CH2-CB 4.23Å; W585-F589 AromaticContact CH2-CD2 3.82Å; W585-F589 HydrophobicContact CH2-CD2 3.82Å; W585-F589 HydrophobicContact CH2-CE2 4.34Å; W585-F589 AromaticContact CH2-CG 3.96Å; W585-F589 HydrophobicContact CH2-CG 3.96Å; W585-F589 HydrophobicContact CZ2-CB 4.48Å; W585-F589 AromaticContact CZ2-CD2 3.97Å; W585-F589 HydrophobicContact CZ2-CD2 3.97Å; W585-F589 HydrophobicContact CZ2-CG 4.4Å; W585-F589 HydrophobicContact CZ3-CB 4.16Å; W585-F589 HydrophobicContact CZ3-CG 4.22Å; W585-F589 VanDerWaalsContact O-CB 3.26Å; W585-F589 WeakPolarHBondContact O-CB 3.42Å; W585-F589 PolarHBondContact O-N 3.29Å
586	K	80.6	Confident	74.5	Confident	114 Å²	114	103.7 Å²	103.7	50%	0.496	48%	0.479	S	S	.	.	H	α-helix	trans	-61.8	-41.6	176.7	-178.3	179.9	179.2	-178.1	0	111.5	M582 M583 D584 F589 N590	M582-K586 WeakPolarHBondContact O-CB 3.33Å; M582-K586 PolarHBondContact O-N 3.26Å; M583-K586 PolarHBondContact O-N 3.1Å; D584-K586 VanDerWaalsContact C-N 3.32Å; D584-K586 PolarHBondContact O-N 3.3Å; K586-F589 PolarHBondContact O-N 2.85Å; K586-N590 WeakPolarHBondContact O-CB 3.38Å; K586-N590 PolarHBondContact O-N 3.47Å; K586-N590 PolarHBondContact O-ND2 2.91Å
587	N	80.8	Confident	74	Confident	90 Å²	90	105.9 Å²	105.9	48%	0.481	49%	0.489	S	S	.	.	H	α-helix	trans	-63.3	-46.8	176.2	-69.2	-25.1	0	0	0	111	M583 D584 W585 F589 N590 D591	M583-N587 WeakPolarHBondContact O-CB 3.44Å; M583-N587 PolarHBondContact O-N 2.9Å; M583-N587 PolarHBondContact O-ND2 2.83Å; D584-N587 PolarHBondContact O-N 3.5Å; W585-N587 VanDerWaalsContact C-N 3.33Å; W585-N587 PolarHBondContact O-N 3.36Å; N587-F589 VanDerWaalsContact C-N 3.33Å; N587-F589 PolarHBondContact O-N 3.38Å; N587-N590 PolarHBondContact O-N 3.4Å; N587-D591 WeakPolarHBondContact O-CB 3.49Å; N587-D591 PolarHBondContact O-N 3.5Å
588	Q	79.6	Confident	73.4	Confident	137 Å²	137	103.6 Å²	103.6	64%	0.64	49%	0.493	S	S	*	.	H	α-helix	trans	-62.9	-38.5	175.8	-70.3	178.9	15.3	0	0	112.5	D584 W585 D591 Y592	D584-Q588 WeakPolarHBondContact O-CG 3.41Å; D584-Q588 PolarHBondContact O-N 3.29Å; W585-Q588 PolarHBondContact O-N 2.9Å; Q588-D591 PolarHBondContact O-N 2.85Å; Q588-Y592 WeakPolarHBondContact O-CB 3.37Å; Q588-Y592 PolarHBondContact O-N 2.95Å
589	F	81.1	Confident	72.2	Confident	95 Å²	95	101.2 Å²	101.2	42%	0.417	50%	0.497	S	S	.	.	H	α-helix	trans	-65.7	-43.3	176.5	-176.4	-96	0	0	0	111.6	W585 K586 N587 Y592 T593	W585-F589 HydrophobicContact CE3-CB 4.34Å; W585-F589 HydrophobicContact CH2-CB 4.23Å; W585-F589 AromaticContact CH2-CD2 3.82Å; W585-F589 HydrophobicContact CH2-CD2 3.82Å; W585-F589 HydrophobicContact CH2-CE2 4.34Å; W585-F589 AromaticContact CH2-CG 3.96Å; W585-F589 HydrophobicContact CH2-CG 3.96Å; W585-F589 HydrophobicContact CZ2-CB 4.48Å; W585-F589 AromaticContact CZ2-CD2 3.97Å; W585-F589 HydrophobicContact CZ2-CD2 3.97Å; W585-F589 HydrophobicContact CZ2-CG 4.4Å; W585-F589 HydrophobicContact CZ3-CB 4.16Å; W585-F589 HydrophobicContact CZ3-CG 4.22Å; W585-F589 VanDerWaalsContact O-CB 3.26Å; W585-F589 WeakPolarHBondContact O-CB 3.42Å; W585-F589 PolarHBondContact O-N 3.29Å; K586-F589 PolarHBondContact O-N 2.85Å; N587-F589 VanDerWaalsContact C-N 3.33Å; N587-F589 PolarHBondContact O-N 3.38Å; F589-Y592 WeakPolarHBondContact O-CB 3.25Å; F589-Y592 PolarHBondContact O-N 3.39Å; F589-T593 HydrophobicContact CD1-CG2 4.25Å; F589-T593 HydrophobicContact CE1-CG2 3.8Å; F589-T593 HydrophobicContact CZ-CG2 3.95Å; F589-T593 PolarHBondContact O-N 3.43Å; F589-T593 PolarHBondContact O-OG1 3.36Å; F589-T593 VanDerWaalsContact O-OG1 3.11Å
590	N	82.9	Confident	71.4	Confident	73 Å²	73	104.5 Å²	104.5	39%	0.39	52%	0.519	S	S	.	.	H	α-helix	trans	-65	-38.3	175.4	-70	-20.1	0	0	0	112.3	K586 N587 Y592 T593 S594	K586-N590 WeakPolarHBondContact O-CB 3.38Å; K586-N590 PolarHBondContact O-N 3.47Å; K586-N590 PolarHBondContact O-ND2 2.91Å; N587-N590 PolarHBondContact O-N 3.4Å; N590-Y592 VanDerWaalsContact C-N 3.33Å; N590-T593 WeakPolarHBondContact CA-OG1 3.44Å; N590-T593 PolarHBondContact O-N 2.86Å; N590-T593 PolarHBondContact O-OG1 3.32Å; N590-T593 VanDerWaalsContact O-OG1 3.05Å; N590-S594 VanDerWaalsContact O-CB 3.32Å; N590-S594 WeakPolarHBondContact O-CB 3.5Å; N590-S594 PolarHBondContact O-N 3.1Å; N590-S594 PolarHBondContact O-OG 2.98Å
591	D	79.5	Confident	70.8	Confident	94 Å²	94	103.2 Å²	103.2	50%	0.503	53%	0.529	S	S	.	.	H	α-helix	trans	-64.5	-38.3	172.5	-96	21.2	0	0	0	111.7	N587 Q588 S594 K595	N587-D591 WeakPolarHBondContact O-CB 3.49Å; N587-D591 PolarHBondContact O-N 3.5Å; Q588-D591 PolarHBondContact O-N 2.85Å; D591-S594 WeakPolarHBondContact CA-OG 3.38Å; D591-S594 PolarHBondContact O-OG 3.41Å; D591-S594 VanDerWaalsContact O-OG 3.08Å; D591-K595 WeakPolarHBondContact O-CB 3.26Å; D591-K595 VanDerWaalsContact O-CG 3.26Å; D591-K595 WeakPolarHBondContact O-CG 3.47Å; D591-K595 PolarHBondContact O-N 3.31Å
592	Y	77.7	Confident	69.2	Low	142 Å²	142	106.5 Å²	106.5	56%	0.557	56%	0.555	S	S	*	*	H	α-helix	trans	-67.2	-45.1	175.7	174.5	-97.7	0	0	0	112	Q588 F589 N590 K596	Q588-Y592 WeakPolarHBondContact O-CB 3.37Å; Q588-Y592 PolarHBondContact O-N 2.95Å; F589-Y592 WeakPolarHBondContact O-CB 3.25Å; F589-Y592 PolarHBondContact O-N 3.39Å; N590-Y592 VanDerWaalsContact C-N 3.33Å; Y592-K596 HydrophobicContact CE1-CD 4.21Å; Y592-K596 WeakPolarHBondContact O-CB 3.5Å; Y592-K596 PolarHBondContact O-N 3.26Å; Y592-K596 VanDerWaalsContact O-N 3.07Å
593	T	75.9	Confident	69	Low	48 Å²	48	108.5 Å²	108.5	29%	0.294	57%	0.567	S	S	.	*	H	α-helix	trans	-68.4	-42.2	179.8	48.8	0	0	0	0	112.2	F589 N590 K595 K596 E597	F589-T593 HydrophobicContact CD1-CG2 4.25Å; F589-T593 HydrophobicContact CE1-CG2 3.8Å; F589-T593 HydrophobicContact CZ-CG2 3.95Å; F589-T593 PolarHBondContact O-N 3.43Å; F589-T593 PolarHBondContact O-OG1 3.36Å; F589-T593 VanDerWaalsContact O-OG1 3.11Å; N590-T593 WeakPolarHBondContact CA-OG1 3.44Å; N590-T593 PolarHBondContact O-N 2.86Å; N590-T593 PolarHBondContact O-OG1 3.32Å; N590-T593 VanDerWaalsContact O-OG1 3.05Å; T593-K595 PolarHBondContact O-N 3.42Å; T593-K596 WeakPolarHBondContact O-CB 3.33Å; T593-K596 PolarHBondContact O-N 2.94Å; T593-E597 PolarHBondContact O-N 2.94Å
594	S	73.6	Confident	68.8	Low	59 Å²	59	109.2 Å²	109.2	41%	0.413	57%	0.572	S	S	.	*	H	α-helix	trans	-63.9	-36.8	176.5	57.9	0	0	0	0	113.1	N590 D591 K596 E597 S598	N590-S594 VanDerWaalsContact O-CB 3.32Å; N590-S594 WeakPolarHBondContact O-CB 3.5Å; N590-S594 PolarHBondContact O-N 3.1Å; N590-S594 PolarHBondContact O-OG 2.98Å; D591-S594 WeakPolarHBondContact CA-OG 3.38Å; D591-S594 PolarHBondContact O-OG 3.41Å; D591-S594 VanDerWaalsContact O-OG 3.08Å; S594-K596 VanDerWaalsContact C-N 3.3Å; S594-K596 PolarHBondContact O-N 3.46Å; S594-E597 PolarHBondContact O-N 3.02Å; S594-S598 PolarHBondContact O-N 3.4Å
595	K	65.8	Low	68.6	Low	134 Å²	134	109.8 Å²	109.8	58%	0.583	58%	0.575	S	S	*	*	H	α-helix	trans	-71.3	-23.6	171.8	-73.3	174.8	-175.2	169.2	0	113.3	D591 T593 S598	D591-K595 WeakPolarHBondContact O-CB 3.26Å; D591-K595 VanDerWaalsContact O-CG 3.26Å; D591-K595 WeakPolarHBondContact O-CG 3.47Å; D591-K595 PolarHBondContact O-N 3.31Å; T593-K595 PolarHBondContact O-N 3.42Å; K595-S598 PolarHBondContact O-OG 3.47Å; K595-S598 VanDerWaalsContact O-OG 3.05Å
596	K	57.7	Low	67.6	Low	125 Å²	125	109.3 Å²	109.3	54%	0.543	58%	0.582	S	S	.	*	H	α-helix	trans	-76.5	-36.5	175.4	-156.2	175.9	-177.4	177.8	0	111.2	Y592 T593 S594 S598 C599 V600	Y592-K596 HydrophobicContact CE1-CD 4.21Å; Y592-K596 WeakPolarHBondContact O-CB 3.5Å; Y592-K596 PolarHBondContact O-N 3.26Å; Y592-K596 VanDerWaalsContact O-N 3.07Å; T593-K596 WeakPolarHBondContact O-CB 3.33Å; T593-K596 PolarHBondContact O-N 2.94Å; S594-K596 VanDerWaalsContact C-N 3.3Å; S594-K596 PolarHBondContact O-N 3.46Å; K596-S598 VanDerWaalsContact C-N 3.32Å; K596-S598 PolarHBondContact O-N 2.91Å; K596-C599 PolarHBondContact O-N 3.49Å; K596-V600 WeakPolarHBondContact O-CG2 3.26Å
597	E	55.9	Low	66.8	Low	158 Å²	158	109 Å²	109	74%	0.738	59%	0.587	S	S	*	*	H	α-helix	trans	-66.4	-31.5	174.1	-72	-179.9	168.8	0	0	112.7	T593 S594 C599	T593-E597 PolarHBondContact O-N 2.94Å; S594-E597 PolarHBondContact O-N 3.02Å; E597-C599 VanDerWaalsContact C-N 3.34Å; E597-C599 PolarHBondContact O-N 3.1Å
598	S	53.6	Low	65.9	Low	81 Å²	81	110.3 Å²	110.3	57%	0.566	59%	0.594	S	S	*	*	H	α-helix	trans	-73.9	-21.1	175.1	74.6	0	0	0	0	114.4	S594 K595 K596	S594-S598 PolarHBondContact O-N 3.4Å; K595-S598 PolarHBondContact O-OG 3.47Å; K595-S598 VanDerWaalsContact O-OG 3.05Å; K596-S598 VanDerWaalsContact C-N 3.32Å; K596-S598 PolarHBondContact O-N 2.91Å
599	C	54	Low	64.9	Low	90 Å²	90	108.4 Å²	108.4	61%	0.608	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-88.7	-6.5	177	-71.8	0	0	0	0	114.2	K596 E597 G601	K596-C599 PolarHBondContact O-N 3.49Å; E597-C599 VanDerWaalsContact C-N 3.34Å; E597-C599 PolarHBondContact O-N 3.1Å; C599-G601 VanDerWaalsContact C-N 3.32Å
600	V	53.5	Low	63.6	Low	126 Å²	126	109.4 Å²	109.4	76%	0.764	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-90.6	-1.3	176	-179.1	0	0	0	0	111.4	K596	K596-V600 WeakPolarHBondContact O-CG2 3.26Å
601	G	55.8	Low	62	Low	73 Å²	73	112.4 Å²	112.4	75%	0.753	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-106.3	16.3	175.9	0	0	0	0	0	115.6	C599	C599-G601 VanDerWaalsContact C-N 3.32Å
602	L	41.4	Very low	60.4	Low	219 Å²	219	114.1 Å²	114.1	100%	1.147	63%	0.633	S	S	*	*			trans	-113.7	0	173.6	-94.4	163.9	0	0	0	111.5

Retrieved 602 of 602 residues in 2170.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).