A0A077Z186_TRITR Loading...

Calmodulin-lysine N-methyltransferase

AlphaFold DB , UniProt , Accession A0A077Z186, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 328 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.4	Very low	39.9	Very low	103 Å²	103	73.9 Å²	73.9	51%	0.507	33%	0.328	S	S	.	.				0	131.6	0	-171.9	-176.3	-96.8	0	0	107.9	V5 R6 S26 P28	M1-V5 HydrophobicContact CE-CB 4.19Å; M1-V5 HydrophobicContact CE-CG1 3.55Å; M1-V5 HydrophobicContact CG-CB 3.55Å; M1-V5 HydrophobicContact CG-CG1 4.03Å; M1-V5 HydrophobicContact CG-CG2 3.79Å; M1-V5 HydrophobicContact SD-CB 3.45Å; M1-V5 WeakPolarHBondContact SD-CB 3.16Å; M1-V5 HydrophobicContact SD-CG1 3.32Å; M1-V5 WeakPolarHBondContact SD-CG1 2.85Å; M1-V5 HydrophobicContact SD-CG2 4.24Å; M1-R6 HydrophobicContact SD-CG 4.48Å; M1-S26 WeakPolarHBondContact CE-O 3.43Å; M1-P28 HydrophobicContact CB-CB 3.93Å; M1-P28 VanDerWaalsContact CB-CD 3.46Å; M1-P28 HydrophobicContact CB-CG 3.4Å
2	T	31.9	Very low	40.6	Very low	90 Å²	90	70.9 Å²	70.9	55%	0.552	32%	0.316	S	S	*	.			trans	-69.3	146.9	178.9	54.4	0	0	0	0	110.7	R4 V5	T2-R4 PolarHBondContact O-N 3.28Å; T2-V5 PolarHBondContact O-N 3Å
3	A	35.5	Very low	41.1	Very low	5 Å²	5	67.4 Å²	67.4	4%	0.041	31%	0.307	C	S	.	.	H	α-helix	trans	-61.6	-18.4	-177.8	0	0	0	0	0	112.6	V5 R6 W7 D322	A3-V5 PolarHBondContact O-N 3.13Å; A3-V5 VanDerWaalsContact O-N 3.16Å; A3-R6 CarbonylContact O-C 3.58Å; A3-R6 PolarHBondContact O-N 2.95Å; A3-W7 WeakPolarHBondContact O-CB 3.43Å; A3-W7 VanDerWaalsContact O-CD1 3.29Å; A3-W7 PolarHBondContact O-N 3.01Å; A3-D322 WeakPolarHBondContact CA-OD2 3.23Å; A3-D322 HydrophobicContact CB-CB 3.61Å; A3-D322 WeakPolarHBondContact CB-OD2 3.38Å; A3-D322 PolarHBondContact N-OD2 3.25Å
4	R	34.1	Very low	41.4	Very low	187 Å²	187	64.7 Å²	64.7	71%	0.706	30%	0.298	S	S	*	.	H	α-helix	trans	-47.4	-39.6	166.8	-78.9	-175.2	172.9	178.6	-2.2	114.5	T2 R8	T2-R4 PolarHBondContact O-N 3.28Å; R4-R8 WeakPolarHBondContact O-CB 2.98Å; R4-R8 PolarHBondContact O-N 3.33Å
5	V	39.6	Very low	41.8	Very low	54 Å²	54	65.3 Å²	65.3	33%	0.327	30%	0.298	S	S	.	.	H	α-helix	trans	-77.1	-35.7	179.3	-176.7	0	0	0	0	110.8	M1 T2 A3 R8 I9	M1-V5 HydrophobicContact CE-CB 4.19Å; M1-V5 HydrophobicContact CE-CG1 3.55Å; M1-V5 HydrophobicContact CG-CB 3.55Å; M1-V5 HydrophobicContact CG-CG1 4.03Å; M1-V5 HydrophobicContact CG-CG2 3.79Å; M1-V5 HydrophobicContact SD-CB 3.45Å; M1-V5 WeakPolarHBondContact SD-CB 3.16Å; M1-V5 HydrophobicContact SD-CG1 3.32Å; M1-V5 WeakPolarHBondContact SD-CG1 2.85Å; M1-V5 HydrophobicContact SD-CG2 4.24Å; T2-V5 PolarHBondContact O-N 3Å; A3-V5 PolarHBondContact O-N 3.13Å; A3-V5 VanDerWaalsContact O-N 3.16Å; V5-R8 WeakPolarHBondContact O-CB 3.16Å; V5-R8 PolarHBondContact O-N 3Å; V5-I9 HydrophobicContact CG1-CD1 4.36Å; V5-I9 VanDerWaalsContact O-CG1 3.29Å; V5-I9 WeakPolarHBondContact O-CG1 3.41Å; V5-I9 PolarHBondContact O-N 3.38Å
6	R	41	Very low	42.2	Very low	58 Å²	58	62.9 Å²	62.9	22%	0.219	29%	0.293	C	S	.	.	H	α-helix	trans	-69.2	-42.5	176.7	-65	176.4	173.6	166.8	-7	112	M1 A3 R8 I9 L10 W319	M1-R6 HydrophobicContact SD-CG 4.48Å; A3-R6 CarbonylContact O-C 3.58Å; A3-R6 PolarHBondContact O-N 2.95Å; R6-R8 VanDerWaalsContact C-N 3.33Å; R6-I9 WeakPolarHBondContact O-CB 3.23Å; R6-I9 PolarHBondContact O-N 3.03Å; R6-L10 PolarHBondContact O-N 3.47Å; R6-W319 HydrophobicContact CB-CZ2 4.02Å
7	W	41.8	Very low	42.4	Very low	29 Å²	29	70.9 Å²	70.9	11%	0.11	33%	0.327	C	S	.	.	H	α-helix	trans	-62.9	-38.7	169.6	-83.1	111	0	0	0	112.1	A3 I9 L10 R11 T288 L312 W319 L323	A3-W7 WeakPolarHBondContact O-CB 3.43Å; A3-W7 VanDerWaalsContact O-CD1 3.29Å; A3-W7 PolarHBondContact O-N 3.01Å; W7-I9 VanDerWaalsContact C-N 3.32Å; W7-I9 PolarHBondContact O-N 3.38Å; W7-L10 HydrophobicContact CE3-CD2 4Å; W7-L10 HydrophobicContact CH2-CD2 4.21Å; W7-L10 HydrophobicContact CZ3-CD2 3.64Å; W7-L10 PolarHBondContact O-N 3.26Å; W7-R11 WeakPolarHBondContact O-CA 3.4Å; W7-R11 WeakPolarHBondContact O-CB 3.36Å; W7-R11 PolarHBondContact O-N 3.37Å; W7-T288 HydrophobicContact CZ3-CG2 4.48Å; W7-L312 HydrophobicContact CH2-CD1 3.84Å; W7-L312 HydrophobicContact CZ2-CD1 4.03Å; W7-W319 HydrophobicContact CD2-CE3 4.33Å; W7-W319 HydrophobicContact CD2-CZ3 4.13Å; W7-W319 AromaticContact CE2-CE3 3.4Å; W7-W319 VanDerWaalsContact CE2-CE3 3.4Å; W7-W319 AromaticContact CE2-CZ3 3.63Å; W7-W319 HydrophobicContact CE3-CZ3 4.47Å; W7-W319 AromaticContact CH2-CE3 3.97Å; W7-W319 HydrophobicContact CH2-CE3 3.97Å; W7-W319 AromaticContact CH2-CZ3 3.91Å; W7-W319 HydrophobicContact CH2-CZ3 3.91Å; W7-W319 HydrophobicContact CZ2-CD2 4.23Å; W7-W319 AromaticContact CZ2-CE3 3.16Å; W7-W319 HydrophobicContact CZ2-CE3 3.16Å; W7-W319 AromaticContact CZ2-CZ3 3.49Å; W7-W319 HydrophobicContact CZ2-CZ3 3.49Å; W7-W319 VanDerWaalsContact CZ2-CZ3 3.49Å; W7-W319 HydrophobicContact CZ3-CZ3 4.39Å; W7-W319 AromaticContact NE1-CD2 3.98Å; W7-W319 AromaticContact NE1-CE3 3.64Å; W7-L323 HydrophobicContact CH2-CD2 3.43Å; W7-L323 VanDerWaalsContact CH2-CD2 3.43Å; W7-L323 HydrophobicContact CH2-CG 4.15Å; W7-L323 HydrophobicContact CZ2-CD1 3.87Å; W7-L323 HydrophobicContact CZ2-CD2 3.1Å; W7-L323 HydrophobicContact CZ2-CG 3.31Å; W7-L323 HydrophobicContact CZ3-CD2 4.44Å
8	R	43.3	Very low	42.5	Very low	130 Å²	130	68.4 Å²	68.4	49%	0.491	32%	0.323	S	S	.	.	H	α-helix	trans	-61.9	-41.9	171.9	-177.9	-179.9	179.8	173.9	6.1	111.2	R4 V5 R6 E12	R4-R8 WeakPolarHBondContact O-CB 2.98Å; R4-R8 PolarHBondContact O-N 3.33Å; V5-R8 WeakPolarHBondContact O-CB 3.16Å; V5-R8 PolarHBondContact O-N 3Å; R6-R8 VanDerWaalsContact C-N 3.33Å; R8-E12 HydrophobicContact CG-CG 4.27Å; R8-E12 VanDerWaalsContact CG-OE1 3.22Å; R8-E12 WeakPolarHBondContact CG-OE1 3.14Å; R8-E12 IonicContact CZ-OE1 3.06Å; R8-E12 IonicContact NE-OE1 2.83Å; R8-E12 PolarHBondContact NE-OE1 2.87Å; R8-E12 IonicContact NH2-OE1 3.38Å; R8-E12 WeakPolarHBondContact O-CB 3.43Å; R8-E12 WeakPolarHBondContact O-CG 3.28Å; R8-E12 PolarHBondContact O-N 3.25Å
9	I	45	Very low	42.1	Very low	37 Å²	37	74.7 Å²	74.7	19%	0.19	35%	0.349	C	S	.	.	H	α-helix	trans	-63.2	-49.2	175.4	-68.3	162.3	0	0	0	110.8	V5 R6 W7 E12 A13 V22	V5-I9 HydrophobicContact CG1-CD1 4.36Å; V5-I9 VanDerWaalsContact O-CG1 3.29Å; V5-I9 WeakPolarHBondContact O-CG1 3.41Å; V5-I9 PolarHBondContact O-N 3.38Å; R6-I9 WeakPolarHBondContact O-CB 3.23Å; R6-I9 PolarHBondContact O-N 3.03Å; W7-I9 VanDerWaalsContact C-N 3.32Å; W7-I9 PolarHBondContact O-N 3.38Å; I9-E12 PolarHBondContact O-N 2.81Å; I9-A13 WeakPolarHBondContact O-CB 3.5Å; I9-A13 PolarHBondContact O-N 2.82Å; I9-V22 HydrophobicContact CG2-CG1 4.25Å
10	L	45.5	Very low	41.9	Very low	10 Å²	10	77.4 Å²	77.4	5%	0.052	36%	0.356	C	S	.	.	H	α-helix	trans	-63.7	-47.2	179.1	-174	67.1	0	0	0	111.5	R6 W7 E12 A13 V14 L70 M308 W319	R6-L10 PolarHBondContact O-N 3.47Å; W7-L10 HydrophobicContact CE3-CD2 4Å; W7-L10 HydrophobicContact CH2-CD2 4.21Å; W7-L10 HydrophobicContact CZ3-CD2 3.64Å; W7-L10 PolarHBondContact O-N 3.26Å; L10-E12 VanDerWaalsContact C-N 3.34Å; L10-E12 PolarHBondContact O-N 2.88Å; L10-A13 WeakPolarHBondContact O-CB 3.35Å; L10-A13 PolarHBondContact O-N 2.03Å; L10-V14 WeakPolarHBondContact O-CB 3.25Å; L10-V14 VanDerWaalsContact O-CG2 3.23Å; L10-V14 WeakPolarHBondContact O-CG2 3.27Å; L10-V14 PolarHBondContact O-N 3.04Å; L10-L70 HydrophobicContact CD1-CD1 3.6Å; L10-L70 HydrophobicContact CD1-CD2 3.82Å; L10-L70 HydrophobicContact CD1-CG 4.34Å; L10-M308 HydrophobicContact CD2-CE 4.05Å; L10-W319 HydrophobicContact CD2-CH2 4.33Å; L10-W319 HydrophobicContact CD2-CZ3 3.99Å
11	R	44.1	Very low	41.6	Very low	110 Å²	110	79.2 Å²	79.2	42%	0.415	36%	0.363	S	S	.	.	H	α-helix	trans	-57.4	-47.2	173	-174.1	-172.2	70.8	177.3	2.5	110.3	W7 A13 V14 Y15	W7-R11 WeakPolarHBondContact O-CA 3.4Å; W7-R11 WeakPolarHBondContact O-CB 3.36Å; W7-R11 PolarHBondContact O-N 3.37Å; R11-A13 PolarHBondContact O-N 3.33Å; R11-V14 PolarHBondContact O-N 3.04Å; R11-Y15 HydrophobicContact CB-CD2 4.4Å; R11-Y15 HydrophobicContact CG-CD2 3.5Å; R11-Y15 VanDerWaalsContact CG-CD2 3.5Å; R11-Y15 HydrophobicContact CG-CE2 4.01Å; R11-Y15 VanDerWaalsContact O-CB 3.23Å; R11-Y15 WeakPolarHBondContact O-CB 3.33Å; R11-Y15 WeakPolarHBondContact O-CD2 3.08Å; R11-Y15 PolarHBondContact O-N 2.95Å
12	E	47.9	Very low	41.7	Very low	38 Å²	38	75.9 Å²	75.9	18%	0.178	35%	0.348	C	S	.	.	H	α-helix	trans	-64.6	-38.3	177.5	-74.6	180	-163.5	0	0	111.7	R8 I9 L10 A16 R20	R8-E12 HydrophobicContact CG-CG 4.27Å; R8-E12 VanDerWaalsContact CG-OE1 3.22Å; R8-E12 WeakPolarHBondContact CG-OE1 3.14Å; R8-E12 IonicContact CZ-OE1 3.06Å; R8-E12 IonicContact NE-OE1 2.83Å; R8-E12 PolarHBondContact NE-OE1 2.87Å; R8-E12 IonicContact NH2-OE1 3.38Å; R8-E12 WeakPolarHBondContact O-CB 3.43Å; R8-E12 WeakPolarHBondContact O-CG 3.28Å; R8-E12 PolarHBondContact O-N 3.25Å; I9-E12 PolarHBondContact O-N 2.81Å; L10-E12 VanDerWaalsContact C-N 3.34Å; L10-E12 PolarHBondContact O-N 2.88Å; E12-A16 WeakPolarHBondContact O-CA 3.14Å; E12-A16 WeakPolarHBondContact O-CB 3.41Å; E12-A16 PolarHBondContact O-N 3.14Å; E12-R20 VanDerWaalsContact CD-NH1 3.26Å; E12-R20 IonicContact OE1-NH1 2.92Å; E12-R20 PolarHBondContact OE1-NH1 3.24Å; E12-R20 VanDerWaalsContact OE1-NH1 3.14Å; E12-R20 IonicContact OE2-CZ 2.75Å; E12-R20 IonicContact OE2-NH1 3.97Å; E12-R20 PolarHBondContact OE2-NH1 3.3Å
13	A	47.8	Very low	41.9	Very low	25 Å²	25	74.9 Å²	74.9	21%	0.207	35%	0.345	C	S	.	.	H	α-helix	trans	-63.6	-43	174.2	0	0	0	0	0	112.2	I9 L10 R11	I9-A13 WeakPolarHBondContact O-CB 3.5Å; I9-A13 PolarHBondContact O-N 2.82Å; L10-A13 WeakPolarHBondContact O-CB 3.35Å; L10-A13 PolarHBondContact O-N 2.03Å; R11-A13 PolarHBondContact O-N 3.33Å
14	V	44.4	Very low	42.1	Very low	30 Å²	30	75.8 Å²	75.8	18%	0.182	35%	0.35	C	S	.	.	H	α-helix	trans	-66.2	-46.3	176.2	165	0	0	0	0	112	L10 R11 L67 L70	L10-V14 WeakPolarHBondContact O-CB 3.25Å; L10-V14 VanDerWaalsContact O-CG2 3.23Å; L10-V14 WeakPolarHBondContact O-CG2 3.27Å; L10-V14 PolarHBondContact O-N 3.04Å; R11-V14 PolarHBondContact O-N 3.04Å; V14-L67 HydrophobicContact CB-CD2 4.11Å; V14-L67 HydrophobicContact CB-CG 4.42Å; V14-L67 HydrophobicContact CG1-CD1 3.89Å; V14-L67 HydrophobicContact CG1-CD2 3.53Å; V14-L67 HydrophobicContact CG1-CG 3.76Å; V14-L67 HydrophobicContact CG2-CD2 3.49Å; V14-L67 VanDerWaalsContact CG2-CD2 3.49Å; V14-L67 HydrophobicContact CG2-CG 4.15Å; V14-L70 HydrophobicContact CG2-CD1 3.58Å
15	Y	48.1	Very low	42.2	Very low	73 Å²	73	67.9 Å²	67.9	29%	0.286	33%	0.327	S	S	.	.	H	α-helix	trans	-97.5	-20.2	-166.8	-77.1	-74.3	0	0	0	114.9	R11 K17 V292 Q296	R11-Y15 HydrophobicContact CB-CD2 4.4Å; R11-Y15 HydrophobicContact CG-CD2 3.5Å; R11-Y15 VanDerWaalsContact CG-CD2 3.5Å; R11-Y15 HydrophobicContact CG-CE2 4.01Å; R11-Y15 VanDerWaalsContact O-CB 3.23Å; R11-Y15 WeakPolarHBondContact O-CB 3.33Å; R11-Y15 WeakPolarHBondContact O-CD2 3.08Å; R11-Y15 PolarHBondContact O-N 2.95Å; Y15-K17 PolarHBondContact O-N 3.33Å; Y15-V292 HydrophobicContact CE2-CG1 3.9Å; Y15-V292 WeakPolarHBondContact OH-CG1 3.15Å; Y15-Q296 HydrophobicContact CE1-CG 3.83Å
16	A	47.2	Very low	41.8	Very low	27 Å²	27	67.1 Å²	67.1	22%	0.223	32%	0.324	C	S	.	.	S	Bend	trans	-63.9	-9.6	-178	0	0	0	0	0	112.7	E12 G18 K19 R20	E12-A16 WeakPolarHBondContact O-CA 3.14Å; E12-A16 WeakPolarHBondContact O-CB 3.41Å; E12-A16 PolarHBondContact O-N 3.14Å; A16-G18 PolarHBondContact O-N 2.93Å; A16-K19 WeakPolarHBondContact O-CB 3.3Å; A16-K19 PolarHBondContact O-N 2.8Å; A16-R20 HydrophobicContact CB-CB 4.21Å
17	K	46.7	Very low	41.4	Very low	200 Å²	200	66.3 Å²	66.3	87%	0.87	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.2	34.9	-172.8	-67.2	-173.9	177.1	-179.8	0	111.1	Y15	Y15-K17 PolarHBondContact O-N 3.33Å
18	G	42.9	Very low	41.1	Very low	25 Å²	25	67.6 Å²	67.6	26%	0.258	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.4	15.2	-175.2	0	0	0	0	0	119.2	A16 Q64	A16-G18 PolarHBondContact O-N 2.93Å; G18-Q64 VanDerWaalsContact C-NE2 3.27Å; G18-Q64 PolarHBondContact O-NE2 3.36Å; G18-Q64 PolarHBondContact O-OE1 3.05Å
19	K	36.1	Very low	40.9	Very low	188 Å²	188	61.9 Å²	61.9	82%	0.817	32%	0.315	S	S	*	.			trans	-100.5	13.9	-173.9	-66.5	-168.4	175.5	-174.9	0	116.3	A16	A16-K19 WeakPolarHBondContact O-CB 3.3Å; A16-K19 PolarHBondContact O-N 2.8Å
20	R	36.7	Very low	40.6	Very low	129 Å²	129	62.2 Å²	62.2	49%	0.487	32%	0.316	S	S	.	.	S	Bend	trans	-130.3	136	172.8	-142.5	-178.4	-167.5	-166.2	1.4	111.9	E12 A16 V22	E12-R20 VanDerWaalsContact CD-NH1 3.26Å; E12-R20 IonicContact OE1-NH1 2.92Å; E12-R20 PolarHBondContact OE1-NH1 3.24Å; E12-R20 VanDerWaalsContact OE1-NH1 3.14Å; E12-R20 IonicContact OE2-CZ 2.75Å; E12-R20 IonicContact OE2-NH1 3.97Å; E12-R20 PolarHBondContact OE2-NH1 3.3Å; A16-R20 HydrophobicContact CB-CB 4.21Å; R20-V22 VanDerWaalsContact C-N 3.25Å; R20-V22 PolarHBondContact O-N 3.19Å
21	K	36.6	Very low	40.5	Very low	115 Å²	115	64.7 Å²	64.7	50%	0.5	33%	0.33	S	S	.	.			trans	-59.4	88.6	160.8	-68.9	-175.9	175.9	-169.4	0	107.7	S23	K21-S23 PolarHBondContact O-N 3.45Å; K21-S23 VanDerWaalsContact O-N 3.08Å
22	V	38.8	Very low	40.4	Very low	34 Å²	34	64.1 Å²	64.1	21%	0.206	34%	0.34	C	S	.	.			trans	-69.7	105.6	168.3	-168.9	0	0	0	0	104.7	I9 R20 V24 H49	I9-V22 HydrophobicContact CG2-CG1 4.25Å; R20-V22 VanDerWaalsContact C-N 3.25Å; R20-V22 PolarHBondContact O-N 3.19Å; V22-V24 HydrophobicContact CB-CG2 3.81Å; V22-V24 HydrophobicContact CG1-CG2 3.64Å; V22-V24 VanDerWaalsContact O-CG2 3.31Å; V22-V24 WeakPolarHBondContact O-CG2 3.44Å; V22-V24 PolarHBondContact O-N 3.31Å; V22-H49 PolarHBondContact O-CE1 3.46Å; V22-H49 PolarHBondContact O-NE2 3.08Å
23	S	37.8	Very low	40.7	Very low	68 Å²	68	63.6 Å²	63.6	48%	0.476	34%	0.338	S	S	.	.			trans	-67.6	83.5	163.3	57.4	0	0	0	0	106.5	K21 G25	K21-S23 PolarHBondContact O-N 3.45Å; K21-S23 VanDerWaalsContact O-N 3.08Å; S23-G25 PolarHBondContact O-N 2.73Å
24	V	39.8	Very low	41.3	Very low	24 Å²	24	65 Å²	65	15%	0.145	36%	0.355	C	S	.	.			trans	-65.2	-9.1	-175.4	-170.1	0	0	0	0	111.8	V22 S26 V62 V79	V22-V24 HydrophobicContact CB-CG2 3.81Å; V22-V24 HydrophobicContact CG1-CG2 3.64Å; V22-V24 VanDerWaalsContact O-CG2 3.31Å; V22-V24 WeakPolarHBondContact O-CG2 3.44Å; V22-V24 PolarHBondContact O-N 3.31Å; V24-S26 VanDerWaalsContact C-N 3.32Å; V24-S26 PolarHBondContact O-N 3.44Å; V24-V62 HydrophobicContact CB-CG1 4.39Å; V24-V62 HydrophobicContact CB-CG2 4.25Å; V24-V62 HydrophobicContact CG1-CG1 4.48Å; V24-V62 HydrophobicContact CG2-CB 4.13Å; V24-V62 HydrophobicContact CG2-CG1 3.74Å; V24-V62 HydrophobicContact CG2-CG2 4.23Å; V24-V79 WeakPolarHBondContact CG1-O 3.47Å
25	G	35.8	Very low	42.5	Very low	22 Å²	22	64.4 Å²	64.4	23%	0.227	35%	0.352	C	S	.	.			trans	-74.6	79.2	164.4	0	0	0	0	0	111.5	S23	S23-G25 PolarHBondContact O-N 2.73Å
26	S	30.6	Very low	43.8	Very low	38 Å²	38	61.3 Å²	61.3	27%	0.266	34%	0.34	S	S	.	.			trans	-177.8	47	158.1	35.3	0	0	0	0	114.6	M1 V24	M1-S26 WeakPolarHBondContact CE-O 3.43Å; V24-S26 VanDerWaalsContact C-N 3.32Å; V24-S26 PolarHBondContact O-N 3.44Å
27	I	33.6	Very low	45.4	Very low	41 Å²	41	63 Å²	63	21%	0.21	35%	0.35	C	S	.	.	S	Bend	trans	-65.3	145.9	140.3	-62.5	-165.8	0	0	0	105.4	N29 C80	I27-N29 VanDerWaalsContact O-CG 3.27Å; I27-N29 PolarHBondContact O-N 2.9Å; I27-N29 PolarHBondContact O-OD1 3.28Å; I27-C80 HydrophobicContact CD1-CB 3.38Å; I27-C80 WeakPolarHBondContact CD1-SG 3.34Å; I27-C80 HydrophobicContact CG1-CB 3.92Å
28	P	35.4	Very low	47	Very low	55 Å²	55	55.6 Å²	55.6	36%	0.357	32%	0.317	S	S	.	.			trans	-66.8	82.4	169	31.2	-37	0	0	0	106.8	M1	M1-P28 HydrophobicContact CB-CB 3.93Å; M1-P28 VanDerWaalsContact CB-CD 3.46Å; M1-P28 HydrophobicContact CB-CG 3.4Å
29	N	38.1	Very low	48.5	Very low	11 Å²	11	55.8 Å²	55.8	6%	0.059	32%	0.319	C	S	.	.			trans	-58.7	-178.6	171.4	-71.1	-3.2	0	0	0	108.2	I27 L31 P32 E86	I27-N29 VanDerWaalsContact O-CG 3.27Å; I27-N29 PolarHBondContact O-N 2.9Å; I27-N29 PolarHBondContact O-OD1 3.28Å; N29-L31 HydrophobicContact CB-CB 3.88Å; N29-L31 HydrophobicContact CB-CD1 3.77Å; N29-L31 HydrophobicContact CB-CG 3.56Å; N29-L31 PolarHBondContact O-N 2.89Å; N29-P32 WeakPolarHBondContact O-CD 3.29Å; N29-E86 WeakPolarHBondContact CB-OE1 3.48Å; N29-E86 VanDerWaalsContact CB-OE2 3.31Å; N29-E86 WeakPolarHBondContact CB-OE2 3.49Å; N29-E86 PolarHBondContact ND2-OE1 2.77Å
30	L	39.5	Very low	50.1	Low	43 Å²	43	51.5 Å²	51.5	23%	0.225	31%	0.305	C	S	.	.	S	Bend	trans	-66.5	23.2	157	-68.7	160.8	0	0	0	111.6	P32 L33 P83 V87 L255	L30-P32 VanDerWaalsContact C-N 3.3Å; L30-L33 HydrophobicContact CB-CD1 3.74Å; L30-L33 HydrophobicContact CB-CG 4.08Å; L30-L33 HydrophobicContact CD2-CD1 3.93Å; L30-L33 HydrophobicContact CD2-CG 4.41Å; L30-L33 HydrophobicContact CG-CD1 4.3Å; L30-L33 WeakPolarHBondContact O-CB 3.26Å; L30-L33 WeakPolarHBondContact O-CG 3.43Å; L30-L33 PolarHBondContact O-N 3.31Å; L30-P83 HydrophobicContact CD1-CB 4.2Å; L30-P83 HydrophobicContact CG-CB 4.47Å; L30-V87 HydrophobicContact CD1-CG2 3.21Å; L30-L255 HydrophobicContact CD2-CD2 4.04Å
31	L	43.1	Very low	51.5	Low	63 Å²	63	45.8 Å²	45.8	33%	0.33	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-52.5	-30.1	170	-88.7	168.4	0	0	0	114.8	N29 L33 G34 I36 Y38	N29-L31 HydrophobicContact CB-CB 3.88Å; N29-L31 HydrophobicContact CB-CD1 3.77Å; N29-L31 HydrophobicContact CB-CG 3.56Å; N29-L31 PolarHBondContact O-N 2.89Å; L31-L33 PolarHBondContact O-N 2.83Å; L31-L33 VanDerWaalsContact O-N 3.08Å; L31-G34 PolarHBondContact O-N 3.01Å; L31-G34 VanDerWaalsContact O-N 3.08Å; L31-I36 WeakPolarHBondContact CD2-O 3.47Å; L31-Y38 HydrophobicContact CD2-CD2 4.05Å; L31-Y38 HydrophobicContact CD2-CE2 4.31Å
32	P	42	Very low	52.7	Low	97 Å²	97	46 Å²	46	63%	0.63	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-59.1	-19.9	170.5	-24.4	34.6	0	0	0	113.2	N29 L30 G34 L255	N29-P32 WeakPolarHBondContact O-CD 3.29Å; L30-P32 VanDerWaalsContact C-N 3.3Å; P32-G34 VanDerWaalsContact C-N 3.35Å; P32-L255 HydrophobicContact CG-CD1 4.36Å
33	L	54.2	Low	53.4	Low	28 Å²	28	49 Å²	49	15%	0.147	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-81.3	-15.6	-180	-47.7	-175	0	0	0	113.3	L30 L31 V35 L248 C251	L30-L33 HydrophobicContact CB-CD1 3.74Å; L30-L33 HydrophobicContact CB-CG 4.08Å; L30-L33 HydrophobicContact CD2-CD1 3.93Å; L30-L33 HydrophobicContact CD2-CG 4.41Å; L30-L33 HydrophobicContact CG-CD1 4.3Å; L30-L33 WeakPolarHBondContact O-CB 3.26Å; L30-L33 WeakPolarHBondContact O-CG 3.43Å; L30-L33 PolarHBondContact O-N 3.31Å; L31-L33 PolarHBondContact O-N 2.83Å; L31-L33 VanDerWaalsContact O-N 3.08Å; L33-V35 HydrophobicContact CB-CG2 3.86Å; L33-V35 PolarHBondContact O-N 3.4Å; L33-V35 VanDerWaalsContact O-N 3.13Å; L33-L248 HydrophobicContact CD1-CD2 4.41Å; L33-C251 HydrophobicContact CB-CB 4.3Å; L33-C251 HydrophobicContact CD1-CB 3.25Å; L33-C251 HydrophobicContact CD2-CB 3.17Å; L33-C251 WeakPolarHBondContact CD2-O 3.34Å; L33-C251 VanDerWaalsContact CD2-SG 3.56Å; L33-C251 HydrophobicContact CG-CB 3.64Å
34	G	60.2	Low	54.2	Low	54 Å²	54	50.5 Å²	50.5	56%	0.557	32%	0.322	S	S	*	.			trans	59.9	21.6	-178.5	0	0	0	0	0	114.5	L31 P32	L31-G34 PolarHBondContact O-N 3.01Å; L31-G34 VanDerWaalsContact O-N 3.08Å; P32-G34 VanDerWaalsContact C-N 3.35Å
35	V	68.7	Low	55.5	Low	18 Å²	18	52.5 Å²	52.5	11%	0.109	34%	0.335	C	S	.	.	S	Bend	trans	-74.5	-48.9	-177.2	174.8	0	0	0	0	111	L33 L53 Y90	L33-V35 HydrophobicContact CB-CG2 3.86Å; L33-V35 PolarHBondContact O-N 3.4Å; L33-V35 VanDerWaalsContact O-N 3.13Å; V35-L53 HydrophobicContact CG1-CD1 3.79Å; V35-L53 WeakPolarHBondContact O-CD1 3.47Å; V35-Y90 HydrophobicContact CB-CD2 4.42Å; V35-Y90 HydrophobicContact CG1-CD2 3.08Å; V35-Y90 HydrophobicContact CG1-CE2 3.86Å; V35-Y90 HydrophobicContact CG1-CG 3.5Å; V35-Y90 VanDerWaalsContact CG1-CG 3.5Å
36	I	76.2	Confident	57.1	Low	8 Å²	8	57.9 Å²	57.9	4%	0.041	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	132	171.8	-58.6	-176.2	0	0	0	108.1	L31 Y38 A51 H52 L53 E86 A89 L114 F118	L31-I36 WeakPolarHBondContact CD2-O 3.47Å; I36-Y38 HydrophobicContact CG2-CE1 4.09Å; I36-Y38 HydrophobicContact CG2-CE2 4.05Å; I36-A51 HydrophobicContact CG2-CB 4.1Å; I36-H52 CarbonylContact C-O 3.58Å; I36-H52 VanDerWaalsContact CA-O 3.25Å; I36-H52 WeakPolarHBondContact CA-O 3.38Å; I36-L53 HydrophobicContact CD1-CD2 4.42Å; I36-L53 HydrophobicContact CG1-CB 4.26Å; I36-L53 HydrophobicContact CG1-CD1 4.13Å; I36-L53 HydrophobicContact CG1-CD2 4.39Å; I36-L53 HydrophobicContact CG1-CG 4.5Å; I36-E86 HydrophobicContact CD1-CB 4.1Å; I36-A89 HydrophobicContact CD1-CB 3.9Å; I36-L114 HydrophobicContact CD1-CD2 3.87Å; I36-F118 HydrophobicContact CD1-CE2 4.23Å
37	S	81.6	Confident	59.3	Low	63 Å²	63	57.2 Å²	57.2	44%	0.441	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	141.1	172.5	65.9	0	0	0	0	111.2	H52	S37-H52 PolarHBondContact N-O 3.38Å; S37-H52 PolarHBondContact O-N 3.04Å; S37-H52 PolarHBondContact O-ND1 2.91Å
38	Y	78.6	Confident	61.5	Low	43 Å²	43	55.7 Å²	55.7	17%	0.169	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	146.3	179.5	-59.8	-82.4	0	0	0	111.3	L31 I36 C50 A51 Y60 I81 E86	L31-Y38 HydrophobicContact CD2-CD2 4.05Å; L31-Y38 HydrophobicContact CD2-CE2 4.31Å; I36-Y38 HydrophobicContact CG2-CE1 4.09Å; I36-Y38 HydrophobicContact CG2-CE2 4.05Å; Y38-C50 WeakPolarHBondContact CA-O 3.32Å; Y38-A51 HydrophobicContact CD1-CB 3.94Å; Y38-A51 HydrophobicContact CE1-CB 3.77Å; Y38-Y60 HydrophobicContact CD1-CE1 4.06Å; Y38-Y60 VanDerWaalsContact CD1-OH 3.27Å; Y38-Y60 WeakPolarHBondContact CD1-OH 3.09Å; Y38-Y60 HydrophobicContact CE1-CE1 4.33Å; Y38-I81 HydrophobicContact CD1-CD1 4.44Å; Y38-I81 HydrophobicContact CE1-CD1 3.51Å; Y38-E86 WeakPolarHBondContact CE2-OE1 3.46Å; Y38-E86 VanDerWaalsContact CZ-OE1 3.23Å; Y38-E86 VanDerWaalsContact OH-CG 3.32Å; Y38-E86 WeakPolarHBondContact OH-CG 3.33Å; Y38-E86 PolarHBondContact OH-OE1 3.37Å
39	G	74.8	Confident	63.8	Low	30 Å²	30	53.6 Å²	53.6	31%	0.309	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	170	173.3	0	0	0	0	0	111.4	C50	G39-C50 PolarHBondContact N-O 3.37Å; G39-C50 PolarHBondContact O-N 3.32Å
40	D	70.7	Confident	66.2	Low	97 Å²	97	53.1 Å²	53.1	52%	0.519	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	131.9	168.5	-71.4	-24.7	0	0	0	108.9	H49	D40-H49 IonicContact OD1-CE1 3.8Å; D40-H49 IonicContact OD1-ND1 3.3Å; D40-H49 PolarHBondContact OD1-ND1 3.07Å
41	C	65.6	Low	68.5	Low	9 Å²	9	51.1 Å²	51.1	6%	0.061	32%	0.318	C	S	.	.			trans	-67.6	162.1	163.7	-54.5	0	0	0	0	108.8	V48 H49 C50	C41-V48 HydrophobicContact CB-CG1 4.11Å; C41-H49 PolarHBondContact SG-O 2.97Å; C41-C50 VanDerWaalsContact CA-SG 3.52Å; C41-C50 HydrophobicContact CB-CB 4.37Å; C41-C50 WeakPolarHBondContact CB-SG 3.19Å; C41-C50 WeakPolarHBondContact SG-CA 3.12Å; C41-C50 WeakPolarHBondContact SG-CB 3.37Å; C41-C50 PolarHBondContact SG-N 2.94Å; C41-C50 CovalentContact SG-SG 2.03Å; C41-C50 PolarHBondContact SG-SG 3.31Å
42	N	62.6	Low	70.6	Confident	119 Å²	119	51 Å²	51	64%	0.636	32%	0.316	S	S	*	.	S	Bend	trans	-26.1	119.5	178.8	-146.1	7.6	0	0	0	112.3	S44 V45	N42-S44 PolarHBondContact O-N 3.14Å; N42-V45 PolarHBondContact O-N 3.47Å
43	P	52.6	Low	72.8	Confident	99 Å²	99	46.6 Å²	46.6	64%	0.643	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	1.5	-159.8	20.6	-32.6	0	0	0	116.2
44	S	55.4	Low	74.2	Confident	99 Å²	99	50.5 Å²	50.5	69%	0.692	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-19.6	179.9	58	0	0	0	0	114.9	N42	N42-S44 PolarHBondContact O-N 3.14Å
45	V	66	Low	75.4	Confident	66 Å²	66	56.1 Å²	56.1	40%	0.4	32%	0.322	S	S	.	.	S	Bend	trans	-113.4	106.1	-178.5	-163.7	0	0	0	0	109.8	N42 V48	N42-V45 PolarHBondContact O-N 3.47Å; V45-V48 HydrophobicContact CB-CB 4.27Å; V45-V48 HydrophobicContact CB-CG2 4.04Å; V45-V48 HydrophobicContact CG1-CB 4.25Å; V45-V48 HydrophobicContact CG1-CG2 3.48Å; V45-V48 VanDerWaalsContact CG1-CG2 3.48Å
46	E	70.9	Confident	76.5	Confident	134 Å²	134	56.7 Å²	56.7	63%	0.626	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	136.7	-179.6	-172.3	170.8	-163.7	0	0	111.5	V48	E46-V48 VanDerWaalsContact C-N 3.27Å; E46-V48 PolarHBondContact O-N 3.45Å
47	G	75.2	Confident	77.3	Confident	24 Å²	24	59.1 Å²	59.1	25%	0.247	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	1.6	177.6	0	0	0	0	0	115.5	H49 T61 V62	G47-H49 PolarHBondContact O-CD2 2.9Å; G47-T61 VanDerWaalsContact O-CA 3.31Å; G47-T61 WeakPolarHBondContact O-CA 3.35Å; G47-V62 PolarHBondContact O-N 3.25Å
48	V	81.4	Confident	77.8	Confident	9 Å²	9	56.1 Å²	56.1	6%	0.055	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	125.2	175.3	-178.3	0	0	0	0	110.5	C41 V45 E46 R59 E147	C41-V48 HydrophobicContact CB-CG1 4.11Å; V45-V48 HydrophobicContact CB-CB 4.27Å; V45-V48 HydrophobicContact CB-CG2 4.04Å; V45-V48 HydrophobicContact CG1-CB 4.25Å; V45-V48 HydrophobicContact CG1-CG2 3.48Å; V45-V48 VanDerWaalsContact CG1-CG2 3.48Å; E46-V48 VanDerWaalsContact C-N 3.27Å; E46-V48 PolarHBondContact O-N 3.45Å; V48-R59 HydrophobicContact CG1-CB 4.22Å; V48-E147 HydrophobicContact CG1-CG 4.49Å; V48-E147 HydrophobicContact CG2-CG 4.44Å
49	H	83.7	Confident	78.3	Confident	11 Å²	11	56.7 Å²	56.7	5%	0.051	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	160.8	-179.8	-57	-79.5	0	0	0	110.3	V22 D40 C41 G47 R59 Y60	V22-H49 PolarHBondContact O-CE1 3.46Å; V22-H49 PolarHBondContact O-NE2 3.08Å; D40-H49 IonicContact OD1-CE1 3.8Å; D40-H49 IonicContact OD1-ND1 3.3Å; D40-H49 PolarHBondContact OD1-ND1 3.07Å; C41-H49 PolarHBondContact SG-O 2.97Å; G47-H49 PolarHBondContact O-CD2 2.9Å; H49-R59 CarbonylContact O-C 3.51Å; H49-R59 WeakPolarHBondContact O-CA 3.11Å; H49-Y60 HydrophobicContact CB-CD1 4.24Å; H49-Y60 HydrophobicContact CB-CD2 4.25Å; H49-Y60 HydrophobicContact CB-CE1 3.7Å; H49-Y60 HydrophobicContact CB-CE2 3.73Å; H49-Y60 HydrophobicContact CB-CG 4.49Å; H49-Y60 VanDerWaalsContact CB-CZ 3.42Å; H49-Y60 PolarHBondContact N-O 2.81Å; H49-Y60 WeakPolarHBondContact O-CD1 3.39Å; H49-Y60 PolarHBondContact O-N 3.28Å
50	C	86.6	Confident	78.9	Confident	2 Å²	2	55.4 Å²	55.4	1%	0.014	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	131.9	-177.7	-83.2	0	0	0	0	109.3	Y38 G39 C41 E57 V58	Y38-C50 WeakPolarHBondContact CA-O 3.32Å; G39-C50 PolarHBondContact N-O 3.37Å; G39-C50 PolarHBondContact O-N 3.32Å; C41-C50 VanDerWaalsContact CA-SG 3.52Å; C41-C50 HydrophobicContact CB-CB 4.37Å; C41-C50 WeakPolarHBondContact CB-SG 3.19Å; C41-C50 WeakPolarHBondContact SG-CA 3.12Å; C41-C50 WeakPolarHBondContact SG-CB 3.37Å; C41-C50 PolarHBondContact SG-N 2.94Å; C41-C50 CovalentContact SG-SG 2.03Å; C41-C50 PolarHBondContact SG-SG 3.31Å; C50-E57 HydrophobicContact CB-CG 4.34Å; C50-V58 CarbonylContact C-O 3.35Å; C50-V58 WeakPolarHBondContact CA-O 3.46Å
51	A	87.8	Confident	79.3	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	137.4	166	0	0	0	0	0	108.8	I36 Y38 V58 Y60 L114 F118	I36-A51 HydrophobicContact CG2-CB 4.1Å; Y38-A51 HydrophobicContact CD1-CB 3.94Å; Y38-A51 HydrophobicContact CE1-CB 3.77Å; A51-V58 HydrophobicContact CB-CG2 3.68Å; A51-V58 PolarHBondContact N-O 3.42Å; A51-V58 PolarHBondContact O-N 2.99Å; A51-Y60 HydrophobicContact CB-CD1 4.32Å; A51-Y60 HydrophobicContact CB-CE1 3.98Å; A51-L114 HydrophobicContact CB-CD1 3.76Å; A51-F118 HydrophobicContact CB-CE2 4.37Å; A51-F118 HydrophobicContact CB-CZ 4.17Å
52	H	88.9	Confident	79.5	Confident	61 Å²	61	52.2 Å²	52.2	28%	0.282	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	132.4	-179.6	-48.4	70.9	0	0	0	109.7	I36 S37 M56 E57	I36-H52 CarbonylContact C-O 3.58Å; I36-H52 VanDerWaalsContact CA-O 3.25Å; I36-H52 WeakPolarHBondContact CA-O 3.38Å; S37-H52 PolarHBondContact N-O 3.38Å; S37-H52 PolarHBondContact O-N 3.04Å; S37-H52 PolarHBondContact O-ND1 2.91Å; H52-M56 VanDerWaalsContact CA-O 3.23Å; H52-M56 WeakPolarHBondContact CA-O 3.47Å; H52-E57 IonicContact NE2-OE2 3.99Å
53	L	88.3	Confident	79.8	Confident	4 Å²	4	49.2 Å²	49.2	2%	0.021	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	118.1	175.7	174.8	54.6	0	0	0	107.4	V35 I36 N55 M56 Y90 M93 F118	V35-L53 HydrophobicContact CG1-CD1 3.79Å; V35-L53 WeakPolarHBondContact O-CD1 3.47Å; I36-L53 HydrophobicContact CD1-CD2 4.42Å; I36-L53 HydrophobicContact CG1-CB 4.26Å; I36-L53 HydrophobicContact CG1-CD1 4.13Å; I36-L53 HydrophobicContact CG1-CD2 4.39Å; I36-L53 HydrophobicContact CG1-CG 4.5Å; L53-N55 PolarHBondContact O-N 3.08Å; L53-M56 PolarHBondContact N-O 3.08Å; L53-M56 WeakPolarHBondContact O-CB 3.45Å; L53-M56 PolarHBondContact O-N 2.91Å; L53-Y90 HydrophobicContact CD1-CD2 4.19Å; L53-M93 HydrophobicContact CD2-CB 3.84Å; L53-M93 HydrophobicContact CD2-CG 3.4Å; L53-M93 HydrophobicContact CG-CG 4.28Å; L53-F118 HydrophobicContact CB-CD1 4.15Å; L53-F118 HydrophobicContact CB-CE1 3.48Å; L53-F118 VanDerWaalsContact CB-CE1 3.48Å; L53-F118 HydrophobicContact CB-CE2 4.08Å; L53-F118 HydrophobicContact CB-CZ 3.43Å; L53-F118 VanDerWaalsContact CB-CZ 3.43Å; L53-F118 HydrophobicContact CD2-CD1 4.49Å; L53-F118 HydrophobicContact CD2-CD2 4.33Å; L53-F118 HydrophobicContact CD2-CE2 4.33Å; L53-F118 HydrophobicContact CD2-CG 4.4Å; L53-F118 HydrophobicContact CD2-CZ 4.44Å
54	E	82.7	Confident	80.2	Confident	111 Å²	111	49.4 Å²	49.4	52%	0.519	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	-123.4	-169.6	-51.5	-176.9	151.5	0	0	111.3	K96	E54-K96 IonicContact OE2-NZ 3Å; E54-K96 PolarHBondContact OE2-NZ 2.85Å
55	N	85.2	Confident	80.3	Confident	172 Å²	172	46 Å²	46	92%	0.92	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.7	10.6	178.1	-63.6	-32.9	0	0	0	113.1	L53	L53-N55 PolarHBondContact O-N 3.08Å
56	M	92	Very high	79.8	Confident	30 Å²	30	46.5 Å²	46.5	15%	0.148	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	136	-175.4	-63.2	178.2	64.9	0	0	111.5	H52 L53 M93 F118 V121 A122	H52-M56 VanDerWaalsContact CA-O 3.23Å; H52-M56 WeakPolarHBondContact CA-O 3.47Å; L53-M56 PolarHBondContact N-O 3.08Å; L53-M56 WeakPolarHBondContact O-CB 3.45Å; L53-M56 PolarHBondContact O-N 2.91Å; M56-M93 HydrophobicContact CE-CE 4.25Å; M56-M93 HydrophobicContact SD-CE 3.43Å; M56-M93 WeakPolarHBondContact SD-CE 3.35Å; M56-M93 HydrophobicContact SD-SD 4.33Å; M56-F118 HydrophobicContact CB-CD1 4.11Å; M56-F118 HydrophobicContact CB-CE1 4.04Å; M56-F118 HydrophobicContact CE-CD1 4.16Å; M56-F118 VanDerWaalsContact CE-O 3.27Å; M56-F118 WeakPolarHBondContact CE-O 3.28Å; M56-V121 HydrophobicContact CE-CB 3.91Å; M56-V121 HydrophobicContact CE-CG1 3.8Å; M56-A122 HydrophobicContact CE-CB 3.6Å; M56-A122 VanDerWaalsContact CE-N 3.29Å; M56-A122 HydrophobicContact SD-CB 4.2Å
57	E	92.2	Very high	78.8	Confident	59 Å²	59	42.7 Å²	42.7	28%	0.276	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	129.5	170	175.5	-170.4	111.8	0	0	108.5	C50 H52 R59 R151	C50-E57 HydrophobicContact CB-CG 4.34Å; H52-E57 IonicContact NE2-OE2 3.99Å; E57-R59 IonicContact OE1-CZ 3.59Å; E57-R59 IonicContact OE1-NE 2.93Å; E57-R59 PolarHBondContact OE1-NE 2.93Å; E57-R59 IonicContact OE1-NH2 3.33Å; E57-R59 PolarHBondContact OE1-NH2 3.12Å; E57-R151 IonicContact OE1-CZ 3.6Å; E57-R151 IonicContact OE1-NE 3.58Å; E57-R151 IonicContact OE1-NH2 3.01Å; E57-R151 PolarHBondContact OE1-NH2 3.09Å
58	V	92.7	Very high	78	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	136.9	163.5	-62.5	0	0	0	0	109.6	C50 A51 L114 L117 F118 V121 N148	C50-V58 CarbonylContact C-O 3.35Å; C50-V58 WeakPolarHBondContact CA-O 3.46Å; A51-V58 HydrophobicContact CB-CG2 3.68Å; A51-V58 PolarHBondContact N-O 3.42Å; A51-V58 PolarHBondContact O-N 2.99Å; V58-L114 HydrophobicContact CG2-CD1 3.83Å; V58-L117 HydrophobicContact CB-CB 4.12Å; V58-L117 HydrophobicContact CG1-CB 4.01Å; V58-F118 HydrophobicContact CB-CE1 4.36Å; V58-F118 HydrophobicContact CB-CZ 4.49Å; V58-F118 HydrophobicContact CG1-CB 4.49Å; V58-F118 HydrophobicContact CG1-CD1 3.55Å; V58-F118 HydrophobicContact CG1-CD2 4.38Å; V58-F118 HydrophobicContact CG1-CE1 3.74Å; V58-F118 HydrophobicContact CG1-CG 3.89Å; V58-F118 HydrophobicContact CG1-CZ 4.27Å; V58-F118 HydrophobicContact CG2-CD1 4.32Å; V58-F118 HydrophobicContact CG2-CD2 4.11Å; V58-F118 HydrophobicContact CG2-CE1 3.86Å; V58-F118 HydrophobicContact CG2-CE2 3.67Å; V58-F118 HydrophobicContact CG2-CG 4.42Å; V58-F118 HydrophobicContact CG2-CZ 3.53Å; V58-V121 HydrophobicContact CG1-CB 4.36Å; V58-V121 HydrophobicContact CG1-CG2 4.02Å; V58-N148 WeakPolarHBondContact CA-OD1 3.36Å
59	R	90.4	Very high	76.7	Confident	54 Å²	54	44.5 Å²	44.5	20%	0.204	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	141.1	175.4	-58	-165.4	172.2	-173.6	-5.1	110.3	V48 H49 E57 E147 N148	V48-R59 HydrophobicContact CG1-CB 4.22Å; H49-R59 CarbonylContact O-C 3.51Å; H49-R59 WeakPolarHBondContact O-CA 3.11Å; E57-R59 IonicContact OE1-CZ 3.59Å; E57-R59 IonicContact OE1-NE 2.93Å; E57-R59 PolarHBondContact OE1-NE 2.93Å; E57-R59 IonicContact OE1-NH2 3.33Å; E57-R59 PolarHBondContact OE1-NH2 3.12Å; R59-E147 HydrophobicContact CB-CB 3.86Å; R59-N148 PolarHBondContact N-ND2 2.97Å; R59-N148 PolarHBondContact N-OD1 3.31Å; R59-N148 PolarHBondContact O-ND2 3.01Å
60	Y	85.4	Confident	75.3	Confident	4 Å²	4	44.2 Å²	44.2	2%	0.016	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	144.5	175.5	65.4	-83.5	0	0	0	110.3	Y38 H49 A51 V62 I81 V112 S144	Y38-Y60 HydrophobicContact CD1-CE1 4.06Å; Y38-Y60 VanDerWaalsContact CD1-OH 3.27Å; Y38-Y60 WeakPolarHBondContact CD1-OH 3.09Å; Y38-Y60 HydrophobicContact CE1-CE1 4.33Å; H49-Y60 HydrophobicContact CB-CD1 4.24Å; H49-Y60 HydrophobicContact CB-CD2 4.25Å; H49-Y60 HydrophobicContact CB-CE1 3.7Å; H49-Y60 HydrophobicContact CB-CE2 3.73Å; H49-Y60 HydrophobicContact CB-CG 4.49Å; H49-Y60 VanDerWaalsContact CB-CZ 3.42Å; H49-Y60 PolarHBondContact N-O 2.81Å; H49-Y60 WeakPolarHBondContact O-CD1 3.39Å; H49-Y60 PolarHBondContact O-N 3.28Å; A51-Y60 HydrophobicContact CB-CD1 4.32Å; A51-Y60 HydrophobicContact CB-CE1 3.98Å; Y60-V62 HydrophobicContact CD2-CG2 3.83Å; Y60-V62 HydrophobicContact CE2-CG2 3.67Å; Y60-I81 HydrophobicContact CE1-CD1 4.37Å; Y60-I81 HydrophobicContact CE2-CD1 4.04Å; Y60-V112 HydrophobicContact CD2-CG1 4.35Å; Y60-V112 HydrophobicContact CD2-CG2 3.59Å; Y60-V112 HydrophobicContact CE2-CG2 4.28Å; Y60-V112 HydrophobicContact CG-CG1 3.93Å; Y60-V112 HydrophobicContact CG-CG2 4.03Å; Y60-S144 WeakPolarHBondContact CA-OG 3.44Å
61	T	79.4	Confident	73.6	Confident	19 Å²	19	45.2 Å²	45.2	12%	0.117	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	148.8	173.7	-54.4	0	0	0	0	108.8	G47 N140 T143 S144	G47-T61 VanDerWaalsContact O-CA 3.31Å; G47-T61 WeakPolarHBondContact O-CA 3.35Å; T61-N140 PolarHBondContact O-ND2 3.39Å; T61-N140 PolarHBondContact O-OD1 3.14Å; T61-T143 HydrophobicContact CG2-CG2 4.2Å; T61-T143 VanDerWaalsContact OG1-CG2 3.29Å; T61-T143 WeakPolarHBondContact OG1-CG2 3.14Å; T61-S144 PolarHBondContact N-OG 2.79Å
62	V	70.5	Confident	71.8	Confident	19 Å²	19	50.8 Å²	50.8	12%	0.115	27%	0.268	C	S	.	.			trans	-121.1	109.9	162.7	-175.6	0	0	0	0	108.5	V24 G47 Y60 F65	V24-V62 HydrophobicContact CB-CG1 4.39Å; V24-V62 HydrophobicContact CB-CG2 4.25Å; V24-V62 HydrophobicContact CG1-CG1 4.48Å; V24-V62 HydrophobicContact CG2-CB 4.13Å; V24-V62 HydrophobicContact CG2-CG1 3.74Å; V24-V62 HydrophobicContact CG2-CG2 4.23Å; G47-V62 PolarHBondContact O-N 3.25Å; Y60-V62 HydrophobicContact CD2-CG2 3.83Å; Y60-V62 HydrophobicContact CE2-CG2 3.67Å; V62-F65 HydrophobicContact CG1-CE2 4.26Å; V62-F65 HydrophobicContact CG1-CZ 4.46Å
63	T	67.9	Low	69.8	Low	57 Å²	57	50.3 Å²	50.3	35%	0.35	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-66.2	141.5	172	57.1	0	0	0	0	110.4	F65 M111 N140	T63-F65 WeakPolarHBondContact O-CE2 3.27Å; T63-F65 VanDerWaalsContact O-CZ 3.26Å; T63-F65 WeakPolarHBondContact O-CZ 3.38Å; T63-M111 WeakPolarHBondContact OG1-CE 3.46Å; T63-N140 PolarHBondContact N-OD1 2.84Å
64	Q	62.1	Low	68.1	Low	103 Å²	103	54 Å²	54	48%	0.481	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-67.8	144.2	172.1	-65.5	176	-16.6	0	0	111.1	G18	G18-Q64 VanDerWaalsContact C-NE2 3.27Å; G18-Q64 PolarHBondContact O-NE2 3.36Å; G18-Q64 PolarHBondContact O-OE1 3.05Å
65	F	57.3	Low	66.5	Low	27 Å²	27	49 Å²	49	12%	0.118	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-97.5	141.1	-179.4	-57.7	-69.8	0	0	0	111.3	V62 T63 D69 N78 M111	V62-F65 HydrophobicContact CG1-CE2 4.26Å; V62-F65 HydrophobicContact CG1-CZ 4.46Å; T63-F65 WeakPolarHBondContact O-CE2 3.27Å; T63-F65 VanDerWaalsContact O-CZ 3.26Å; T63-F65 WeakPolarHBondContact O-CZ 3.38Å; F65-D69 HydrophobicContact CB-CB 4.35Å; F65-D69 HydrophobicContact CD1-CB 4.32Å; F65-N78 HydrophobicContact CD1-CB 4.27Å; F65-N78 HydrophobicContact CE1-CB 3.51Å; F65-N78 WeakPolarHBondContact CE2-O 3.49Å; F65-N78 HydrophobicContact CZ-CB 3.83Å; F65-N78 WeakPolarHBondContact CZ-O 3.41Å; F65-M111 HydrophobicContact CE1-CE 3.93Å; F65-M111 HydrophobicContact CZ-CE 3.67Å
66	T	55.8	Low	64.8	Low	77 Å²	77	42 Å²	42	47%	0.472	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-88.4	162	162.9	69	0	0	0	0	110.2	A68 D69 L70	T66-A68 PolarHBondContact O-N 3.33Å; T66-D69 PolarHBondContact N-OD2 3.45Å; T66-D69 WeakPolarHBondContact O-CA 3.33Å; T66-D69 VanDerWaalsContact O-CB 3.27Å; T66-D69 WeakPolarHBondContact O-CB 3.46Å; T66-D69 PolarHBondContact O-N 3.36Å; T66-D69 PolarHBondContact OG1-N 2.85Å; T66-D69 PolarHBondContact OG1-OD1 2.9Å; T66-D69 PolarHBondContact OG1-OD2 3.01Å; T66-L70 PolarHBondContact O-N 3.46Å
67	L	50.5	Low	62.7	Low	54 Å²	54	41.4 Å²	41.4	28%	0.283	24%	0.241	S	C	.	.	H	α-helix	trans	-54.6	-39.8	171.9	-83.7	165.4	0	0	0	112.7	V14 D69 L70 V71 F304	V14-L67 HydrophobicContact CB-CD2 4.11Å; V14-L67 HydrophobicContact CB-CG 4.42Å; V14-L67 HydrophobicContact CG1-CD1 3.89Å; V14-L67 HydrophobicContact CG1-CD2 3.53Å; V14-L67 HydrophobicContact CG1-CG 3.76Å; V14-L67 HydrophobicContact CG2-CD2 3.49Å; V14-L67 VanDerWaalsContact CG2-CD2 3.49Å; V14-L67 HydrophobicContact CG2-CG 4.15Å; L67-D69 PolarHBondContact O-N 3.3Å; L67-L70 PolarHBondContact O-N 2.99Å; L67-V71 WeakPolarHBondContact O-CG2 3.46Å; L67-V71 PolarHBondContact O-N 2.86Å; L67-F304 HydrophobicContact CB-CE2 4.14Å; L67-F304 HydrophobicContact CD2-CE2 3.65Å; L67-F304 HydrophobicContact CD2-CZ 3.56Å; L67-F304 HydrophobicContact CG-CE2 4.44Å
68	A	56.5	Low	60.8	Low	51 Å²	51	38.8 Å²	38.8	42%	0.421	23%	0.229	S	C	.	.	H	α-helix	trans	-61.2	-27.7	175.6	0	0	0	0	0	112.5	T66 N72	T66-A68 PolarHBondContact O-N 3.33Å; A68-N72 WeakPolarHBondContact O-CB 3.49Å; A68-N72 PolarHBondContact O-N 2.99Å; A68-N72 PolarHBondContact O-ND2 3.31Å
69	D	56	Low	58.9	Low	20 Å²	20	40 Å²	40	11%	0.107	24%	0.237	C	C	.	.	H	α-helix	trans	-80.6	-16	177.8	-56.3	-32.9	0	0	0	113.2	F65 T66 L67 N75 K136	F65-D69 HydrophobicContact CB-CB 4.35Å; F65-D69 HydrophobicContact CD1-CB 4.32Å; T66-D69 PolarHBondContact N-OD2 3.45Å; T66-D69 WeakPolarHBondContact O-CA 3.33Å; T66-D69 VanDerWaalsContact O-CB 3.27Å; T66-D69 WeakPolarHBondContact O-CB 3.46Å; T66-D69 PolarHBondContact O-N 3.36Å; T66-D69 PolarHBondContact OG1-N 2.85Å; T66-D69 PolarHBondContact OG1-OD1 2.9Å; T66-D69 PolarHBondContact OG1-OD2 3.01Å; L67-D69 PolarHBondContact O-N 3.3Å; D69-N75 VanDerWaalsContact O-CB 3.32Å; D69-N75 WeakPolarHBondContact O-CB 3.32Å; D69-N75 PolarHBondContact O-ND2 2.79Å; D69-K136 IonicContact OD1-NZ 3.65Å; D69-K136 PolarHBondContact OD1-NZ 2.76Å; D69-K136 IonicContact OD2-NZ 3.65Å; D69-K136 PolarHBondContact OD2-NZ 2.9Å
70	L	53.4	Low	57.4	Low	4 Å²	4	38.2 Å²	38.2	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-86.1	-29.6	172.4	-66.4	166.6	0	0	0	110.9	L10 V14 T66 L67 V79 M308 C311	L10-L70 HydrophobicContact CD1-CD1 3.6Å; L10-L70 HydrophobicContact CD1-CD2 3.82Å; L10-L70 HydrophobicContact CD1-CG 4.34Å; V14-L70 HydrophobicContact CG2-CD1 3.58Å; T66-L70 PolarHBondContact O-N 3.46Å; L67-L70 PolarHBondContact O-N 2.99Å; L70-V79 HydrophobicContact CD2-CG2 4Å; L70-M308 HydrophobicContact CB-SD 4.04Å; L70-C311 PolarHBondContact O-SG 3.44Å
71	V	49.9	Very low	56.5	Low	23 Å²	23	38.7 Å²	38.7	14%	0.139	24%	0.235	C	C	.	.	H	α-helix	trans	-87.1	-42.2	-172.4	171.2	0	0	0	0	112	L67 G73 F304 A307 M308	L67-V71 WeakPolarHBondContact O-CG2 3.46Å; L67-V71 PolarHBondContact O-N 2.86Å; V71-G73 VanDerWaalsContact C-N 3.28Å; V71-G73 PolarHBondContact O-N 2.87Å; V71-F304 HydrophobicContact CB-CD2 4.43Å; V71-F304 HydrophobicContact CG1-CD2 4.48Å; V71-F304 HydrophobicContact CG2-CD2 3.17Å; V71-F304 HydrophobicContact CG2-CE2 3.16Å; V71-F304 HydrophobicContact CG2-CG 4.11Å; V71-F304 HydrophobicContact CG2-CZ 4.12Å; V71-A307 HydrophobicContact CB-CB 4.22Å; V71-A307 HydrophobicContact CG1-CB 3.44Å; V71-A307 VanDerWaalsContact CG1-CB 3.44Å; V71-A307 WeakPolarHBondContact O-CB 3.49Å; V71-M308 HydrophobicContact CG2-CG 4.29Å; V71-M308 HydrophobicContact CG2-SD 4.29Å
72	N	51	Low	56	Low	117 Å²	117	39.5 Å²	39.5	63%	0.626	24%	0.236	S	C	*	.	S	Bend	trans	-78.4	75.8	-175.4	-72.5	-27.9	0	0	0	111.6	A68 N75	A68-N72 WeakPolarHBondContact O-CB 3.49Å; A68-N72 PolarHBondContact O-N 2.99Å; A68-N72 PolarHBondContact O-ND2 3.31Å; N72-N75 PolarHBondContact O-ND2 2.79Å
73	G	47.9	Very low	56.1	Low	51 Å²	51	40.7 Å²	40.7	53%	0.526	24%	0.244	S	C	.	.	S	Bend	trans	52.9	117.6	154.9	0	0	0	0	0	117.5	V71	V71-G73 VanDerWaalsContact C-N 3.28Å; V71-G73 PolarHBondContact O-N 2.87Å
74	N	52	Low	56.6	Low	81 Å²	81	38.7 Å²	38.7	43%	0.433	23%	0.233	S	C	.	.			trans	62.8	47	166.7	-55.9	-6.6	0	0	0	115.1	F189	N74-F189 HydrophobicContact CB-CE2 4.29Å; N74-F189 HydrophobicContact CB-CZ 4.41Å; N74-F189 WeakPolarHBondContact OD1-CZ 3.41Å
75	N	49.4	Very low	57.5	Low	6 Å²	6	34.2 Å²	34.2	3%	0.032	21%	0.212	C	C	.	.			trans	-97.5	20	172.7	-62.8	-64.2	0	0	0	112.7	D69 N72 G77 N78 N134	D69-N75 VanDerWaalsContact O-CB 3.32Å; D69-N75 WeakPolarHBondContact O-CB 3.32Å; D69-N75 PolarHBondContact O-ND2 2.79Å; N72-N75 PolarHBondContact O-ND2 2.79Å; N75-G77 VanDerWaalsContact C-N 3.28Å; N75-G77 PolarHBondContact O-N 2.76Å; N75-N78 HydrophobicContact CB-CB 4.06Å; N75-N78 WeakPolarHBondContact O-CA 3.43Å; N75-N78 VanDerWaalsContact O-CB 3.24Å; N75-N78 WeakPolarHBondContact O-CB 3.49Å; N75-N78 PolarHBondContact O-N 3.3Å; N75-N78 PolarHBondContact OD1-ND2 2.86Å; N75-N134 PolarHBondContact OD1-ND2 2.65Å
76	T	47.8	Very low	58.5	Low	27 Å²	27	33.4 Å²	33.4	17%	0.166	21%	0.208	C	C	.	.	H	α-helix	trans	-56.2	-43.5	179.3	50.4	0	0	0	0	111.5	N78 W82 S314 M315	T76-N78 PolarHBondContact O-N 3.44Å; T76-W82 VanDerWaalsContact C-NE1 3.33Å; T76-W82 HydrophobicContact CG2-CZ2 4.41Å; T76-W82 WeakPolarHBondContact O-CZ2 3.11Å; T76-W82 PolarHBondContact O-NE1 3Å; T76-S314 WeakPolarHBondContact CG2-OG 3.45Å; T76-M315 HydrophobicContact CG2-CG 3.81Å
77	G	49.4	Very low	59.7	Low	16 Å²	16	30.3 Å²	30.3	17%	0.165	19%	0.189	C	C	.	.	H	α-helix	trans	-69.4	-5.2	174.4	0	0	0	0	0	115.3	N75 M111	N75-G77 VanDerWaalsContact C-N 3.28Å; N75-G77 PolarHBondContact O-N 2.76Å; G77-M111 WeakPolarHBondContact O-CG 3.46Å; G77-M111 PolarHBondContact O-N 2.8Å
78	N	51	Low	61.5	Low	4 Å²	4	27.7 Å²	27.7	2%	0.021	18%	0.175	C	C	.	.	H	α-helix	trans	-91.1	-34.7	-177.8	-75.6	-27.7	0	0	0	113.4	F65 N75 T76 C80 M111 N134 C137	F65-N78 HydrophobicContact CD1-CB 4.27Å; F65-N78 HydrophobicContact CE1-CB 3.51Å; F65-N78 WeakPolarHBondContact CE2-O 3.49Å; F65-N78 HydrophobicContact CZ-CB 3.83Å; F65-N78 WeakPolarHBondContact CZ-O 3.41Å; N75-N78 HydrophobicContact CB-CB 4.06Å; N75-N78 WeakPolarHBondContact O-CA 3.43Å; N75-N78 VanDerWaalsContact O-CB 3.24Å; N75-N78 WeakPolarHBondContact O-CB 3.49Å; N75-N78 PolarHBondContact O-N 3.3Å; N75-N78 PolarHBondContact OD1-ND2 2.86Å; T76-N78 PolarHBondContact O-N 3.44Å; N78-C80 PolarHBondContact O-N 3.3Å; N78-M111 VanDerWaalsContact CA-CG 3.48Å; N78-M111 HydrophobicContact CB-CG 4.15Å; N78-M111 WeakPolarHBondContact OD1-CG 3.36Å; N78-M111 PolarHBondContact OD1-SD 3.03Å; N78-N134 PolarHBondContact ND2-ND2 3.25Å; N78-C137 PolarHBondContact OD1-SG 3.01Å
79	V	53.5	Low	63.1	Low	27 Å²	27	25.3 Å²	25.3	16%	0.164	16%	0.155	C	C	.	.	H	α-helix	trans	-77.1	-29.4	-167.9	-177.7	0	0	0	0	113	V24 L70 M315	V24-V79 WeakPolarHBondContact CG1-O 3.47Å; L70-V79 HydrophobicContact CD2-CG2 4Å; V79-M315 HydrophobicContact CB-SD 4.46Å; V79-M315 HydrophobicContact CG2-SD 3.98Å
80	C	58.8	Low	64.6	Low	15 Å²	15	24.8 Å²	24.8	10%	0.101	15%	0.152	C	C	.	.	S	Bend	trans	-163.8	159.5	-171.9	56	0	0	0	0	111.5	I27 N78	I27-C80 HydrophobicContact CD1-CB 3.38Å; I27-C80 WeakPolarHBondContact CD1-SG 3.34Å; I27-C80 HydrophobicContact CG1-CB 3.92Å; N78-C80 PolarHBondContact O-N 3.3Å
81	I	66.3	Low	66.2	Low	14 Å²	14	25.2 Å²	25.2	7%	0.072	15%	0.153	C	C	.	.			trans	-67.7	130.7	163.6	-64	170.6	0	0	0	108.3	Y38 Y60 E85 E86 V112 L114	Y38-I81 HydrophobicContact CD1-CD1 4.44Å; Y38-I81 HydrophobicContact CE1-CD1 3.51Å; Y60-I81 HydrophobicContact CE1-CD1 4.37Å; Y60-I81 HydrophobicContact CE2-CD1 4.04Å; I81-E85 HydrophobicContact CG2-CB 4.09Å; I81-E85 HydrophobicContact CG2-CG 4.32Å; I81-E86 HydrophobicContact CG2-CG 3.7Å; I81-V112 HydrophobicContact CD1-CG2 4.31Å; I81-V112 HydrophobicContact CG1-CG2 4.06Å; I81-L114 HydrophobicContact CD1-CD2 4.47Å; I81-L114 HydrophobicContact CG2-CD2 4.07Å
82	W	70.1	Confident	68.3	Low	36 Å²	36	24.1 Å²	24.1	14%	0.136	15%	0.147	C	C	.	.			trans	-81.4	147.1	179.2	-73.7	83.3	0	0	0	111.2	T76 S84 E85 E86	T76-W82 VanDerWaalsContact C-NE1 3.33Å; T76-W82 HydrophobicContact CG2-CZ2 4.41Å; T76-W82 WeakPolarHBondContact O-CZ2 3.11Å; T76-W82 PolarHBondContact O-NE1 3Å; W82-S84 PolarHBondContact O-N 3.38Å; W82-S84 VanDerWaalsContact O-N 3.16Å; W82-E85 HydrophobicContact CB-CB 4.33Å; W82-E85 WeakPolarHBondContact O-CA 3.32Å; W82-E85 VanDerWaalsContact O-CB 3.23Å; W82-E85 WeakPolarHBondContact O-CB 3.34Å; W82-E85 PolarHBondContact O-N 3.28Å; W82-E86 PolarHBondContact O-N 3.49Å
83	P	72.6	Confident	70.3	Confident	45 Å²	45	18.6 Å²	18.6	29%	0.292	12%	0.117	S	C	.	.	H	α-helix	trans	-53.8	-37.1	173.9	-27.5	35.2	0	0	0	113	L30 E85 E86 V87	L30-P83 HydrophobicContact CD1-CB 4.2Å; L30-P83 HydrophobicContact CG-CB 4.47Å; P83-E85 VanDerWaalsContact C-N 3.26Å; P83-E85 PolarHBondContact O-N 3.16Å; P83-E86 PolarHBondContact O-N 3.36Å; P83-V87 WeakPolarHBondContact O-CB 3.19Å; P83-V87 WeakPolarHBondContact O-CG2 3.49Å; P83-V87 PolarHBondContact O-N 3.09Å
84	S	77.5	Confident	72.3	Confident	15 Å²	15	18.6 Å²	18.6	11%	0.105	11%	0.107	C	C	.	.	H	α-helix	trans	-62.8	-32.3	175.1	-52	0	0	0	0	112.9	W82 M88 P215	W82-S84 PolarHBondContact O-N 3.38Å; W82-S84 VanDerWaalsContact O-N 3.16Å; S84-M88 VanDerWaalsContact O-CB 3.24Å; S84-M88 WeakPolarHBondContact O-CB 3.03Å; S84-M88 PolarHBondContact O-N 3.39Å; S84-P215 WeakPolarHBondContact OG-CD 3.24Å
85	E	80.7	Confident	74.2	Confident	9 Å²	9	18 Å²	18	4%	0.042	10%	0.099	C	C	.	.	H	α-helix	trans	-71.2	-42.1	177.9	-168	-175.8	171.3	0	0	110.7	I81 W82 P83 M88 A89 G113 L114 A184	I81-E85 HydrophobicContact CG2-CB 4.09Å; I81-E85 HydrophobicContact CG2-CG 4.32Å; W82-E85 HydrophobicContact CB-CB 4.33Å; W82-E85 WeakPolarHBondContact O-CA 3.32Å; W82-E85 VanDerWaalsContact O-CB 3.23Å; W82-E85 WeakPolarHBondContact O-CB 3.34Å; W82-E85 PolarHBondContact O-N 3.28Å; P83-E85 VanDerWaalsContact C-N 3.26Å; P83-E85 PolarHBondContact O-N 3.16Å; E85-M88 PolarHBondContact O-N 3.36Å; E85-A89 WeakPolarHBondContact O-CB 3.43Å; E85-A89 PolarHBondContact O-N 3.39Å; E85-G113 PolarHBondContact OE1-N 3.35Å; E85-L114 HydrophobicContact CG-CB 3.87Å; E85-L114 WeakPolarHBondContact OE1-CB 3.41Å; E85-L114 PolarHBondContact OE1-N 2.65Å; E85-A184 HydrophobicContact CB-CB 4.39Å
86	E	79.2	Confident	76.4	Confident	10 Å²	10	20.9 Å²	20.9	5%	0.047	11%	0.111	C	C	.	.	H	α-helix	trans	-63.5	-45.8	173.7	-55.7	-174.3	140.8	0	0	112.2	N29 I36 Y38 I81 W82 P83 M88 A89 Y90 L114	N29-E86 WeakPolarHBondContact CB-OE1 3.48Å; N29-E86 VanDerWaalsContact CB-OE2 3.31Å; N29-E86 WeakPolarHBondContact CB-OE2 3.49Å; N29-E86 PolarHBondContact ND2-OE1 2.77Å; I36-E86 HydrophobicContact CD1-CB 4.1Å; Y38-E86 WeakPolarHBondContact CE2-OE1 3.46Å; Y38-E86 VanDerWaalsContact CZ-OE1 3.23Å; Y38-E86 VanDerWaalsContact OH-CG 3.32Å; Y38-E86 WeakPolarHBondContact OH-CG 3.33Å; Y38-E86 PolarHBondContact OH-OE1 3.37Å; I81-E86 HydrophobicContact CG2-CG 3.7Å; W82-E86 PolarHBondContact O-N 3.49Å; P83-E86 PolarHBondContact O-N 3.36Å; E86-M88 VanDerWaalsContact C-N 3.31Å; E86-M88 PolarHBondContact O-N 2.87Å; E86-A89 WeakPolarHBondContact O-CB 3.28Å; E86-A89 PolarHBondContact O-N 3.38Å; E86-Y90 PolarHBondContact O-N 3.45Å; E86-L114 HydrophobicContact CG-CD2 4.46Å
87	V	80.6	Confident	78.8	Confident	11 Å²	11	26.5 Å²	26.5	7%	0.067	14%	0.135	C	C	.	.	H	α-helix	trans	-59.9	-45.4	176.6	167.6	0	0	0	0	109.8	L30 P83 A89 Y90 W91 L213 Y244 L248	L30-V87 HydrophobicContact CD1-CG2 3.21Å; P83-V87 WeakPolarHBondContact O-CB 3.19Å; P83-V87 WeakPolarHBondContact O-CG2 3.49Å; P83-V87 PolarHBondContact O-N 3.09Å; V87-A89 VanDerWaalsContact C-N 3.34Å; V87-A89 PolarHBondContact O-N 2.91Å; V87-Y90 PolarHBondContact O-N 3.2Å; V87-W91 WeakPolarHBondContact O-CB 3.31Å; V87-W91 PolarHBondContact O-N 2.8Å; V87-L213 HydrophobicContact CB-CD2 4.47Å; V87-L213 HydrophobicContact CG1-CD2 3.53Å; V87-Y244 HydrophobicContact CG1-CE2 3.84Å; V87-Y244 WeakPolarHBondContact CG1-OH 3.42Å; V87-L248 HydrophobicContact CG1-CD1 3.82Å
88	M	88.4	Confident	81	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63.4	-41.1	177.7	-175.4	168.2	72.2	0	0	111.4	S84 E85 E86 W91 C92 E106 A115 L182 A184 L213	S84-M88 VanDerWaalsContact O-CB 3.24Å; S84-M88 WeakPolarHBondContact O-CB 3.03Å; S84-M88 PolarHBondContact O-N 3.39Å; E85-M88 PolarHBondContact O-N 3.36Å; E86-M88 VanDerWaalsContact C-N 3.31Å; E86-M88 PolarHBondContact O-N 2.87Å; M88-W91 PolarHBondContact O-N 3.06Å; M88-C92 WeakPolarHBondContact O-CB 3.47Å; M88-C92 PolarHBondContact O-N 3.42Å; M88-C92 PolarHBondContact O-SG 2.67Å; M88-E106 HydrophobicContact CE-CG 4.12Å; M88-E106 WeakPolarHBondContact CE-OE1 3.43Å; M88-A115 HydrophobicContact CB-CB 4.42Å; M88-A115 HydrophobicContact CE-CB 3.82Å; M88-A115 HydrophobicContact CG-CB 3.93Å; M88-L182 HydrophobicContact CE-CB 4.47Å; M88-L182 HydrophobicContact SD-CB 3.9Å; M88-A184 HydrophobicContact CB-CB 4.37Å; M88-A184 HydrophobicContact CE-CB 3.57Å; M88-A184 HydrophobicContact SD-CB 3.93Å; M88-L213 HydrophobicContact CB-CD1 4.21Å; M88-L213 HydrophobicContact CB-CD2 4.13Å; M88-L213 HydrophobicContact CG-CD1 3.95Å; M88-L213 HydrophobicContact SD-CD1 4.18Å
89	A	90.2	Very high	83.3	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60	-50.8	175.5	0	0	0	0	0	111.8	I36 E85 E86 V87 W91 C92 M93 L114 A115 F118	I36-A89 HydrophobicContact CD1-CB 3.9Å; E85-A89 WeakPolarHBondContact O-CB 3.43Å; E85-A89 PolarHBondContact O-N 3.39Å; E86-A89 WeakPolarHBondContact O-CB 3.28Å; E86-A89 PolarHBondContact O-N 3.38Å; V87-A89 VanDerWaalsContact C-N 3.34Å; V87-A89 PolarHBondContact O-N 2.91Å; A89-W91 PolarHBondContact O-N 2.83Å; A89-C92 PolarHBondContact O-N 3.32Å; A89-M93 WeakPolarHBondContact O-CG 3.32Å; A89-M93 PolarHBondContact O-N 3.45Å; A89-M93 VanDerWaalsContact O-N 3.12Å; A89-L114 HydrophobicContact CB-CB 4.5Å; A89-L114 HydrophobicContact CB-CD2 4.09Å; A89-L114 HydrophobicContact CB-CG 4.02Å; A89-A115 HydrophobicContact CB-CB 4.12Å; A89-F118 HydrophobicContact CB-CD2 3.92Å; A89-F118 HydrophobicContact CB-CE2 4.4Å
90	Y	87.1	Confident	85.4	Confident	10 Å²	10	32.6 Å²	32.6	4%	0.039	16%	0.157	C	C	.	.	H	α-helix	trans	-58.6	-47.7	173.7	168.9	-95.3	0	0	0	112.3	V35 L53 E86 V87 C92 M93 V94 D245 R247 L248	V35-Y90 HydrophobicContact CB-CD2 4.42Å; V35-Y90 HydrophobicContact CG1-CD2 3.08Å; V35-Y90 HydrophobicContact CG1-CE2 3.86Å; V35-Y90 HydrophobicContact CG1-CG 3.5Å; V35-Y90 VanDerWaalsContact CG1-CG 3.5Å; L53-Y90 HydrophobicContact CD1-CD2 4.19Å; E86-Y90 PolarHBondContact O-N 3.45Å; V87-Y90 PolarHBondContact O-N 3.2Å; Y90-C92 VanDerWaalsContact C-N 3.27Å; Y90-C92 PolarHBondContact O-N 3.36Å; Y90-M93 CarbonylContact O-C 3.49Å; Y90-M93 WeakPolarHBondContact O-CA 3.36Å; Y90-M93 PolarHBondContact O-N 2.87Å; Y90-V94 HydrophobicContact CD1-CG1 4.41Å; Y90-V94 HydrophobicContact CD1-CG2 4.48Å; Y90-V94 HydrophobicContact CD2-CG1 4.09Å; Y90-V94 HydrophobicContact CE1-CG1 3.82Å; Y90-V94 HydrophobicContact CE1-CG2 4.08Å; Y90-V94 HydrophobicContact CE2-CG1 3.5Å; Y90-V94 PolarHBondContact O-N 3.36Å; Y90-V94 WeakPolarHBondContact OH-CG1 3.45Å; Y90-D245 WeakPolarHBondContact CE1-OD1 3.4Å; Y90-D245 PolarHBondContact OH-OD1 2.85Å; Y90-R247 WeakPolarHBondContact OH-CB 3.18Å; Y90-R247 WeakPolarHBondContact OH-CD 3.2Å; Y90-L248 HydrophobicContact CD1-CD1 3.62Å; Y90-L248 HydrophobicContact CD1-CD2 3.8Å; Y90-L248 HydrophobicContact CD1-CG 3.7Å; Y90-L248 HydrophobicContact CE1-CD1 3.84Å; Y90-L248 HydrophobicContact CE1-CD2 4.01Å; Y90-L248 HydrophobicContact CE1-CG 3.58Å
91	W	87.1	Confident	87.2	Confident	12 Å²	12	35 Å²	35	5%	0.045	18%	0.178	C	C	.	.	H	α-helix	trans	-59.5	-39.4	-177.5	-177.5	85.2	0	0	0	111.9	V87 M88 A89 V94 R95 F99 F211 L213 Y244	V87-W91 WeakPolarHBondContact O-CB 3.31Å; V87-W91 PolarHBondContact O-N 2.8Å; M88-W91 PolarHBondContact O-N 3.06Å; A89-W91 PolarHBondContact O-N 2.83Å; W91-V94 VanDerWaalsContact O-CG2 3.29Å; W91-V94 WeakPolarHBondContact O-CG2 3.37Å; W91-R95 VanDerWaalsContact NE1-NE 3.1Å; W91-F99 AromaticContact CZ3-CZ 3.97Å; W91-F99 HydrophobicContact CZ3-CZ 3.97Å; W91-F211 HydrophobicContact CH2-CB 4.07Å; W91-F211 AromaticContact CH2-CD1 3.46Å; W91-F211 HydrophobicContact CH2-CD1 3.46Å; W91-F211 VanDerWaalsContact CH2-CD1 3.46Å; W91-F211 AromaticContact CH2-CD2 3.69Å; W91-F211 HydrophobicContact CH2-CD2 3.69Å; W91-F211 AromaticContact CH2-CE1 3.68Å; W91-F211 HydrophobicContact CH2-CE1 3.68Å; W91-F211 AromaticContact CH2-CE2 3.9Å; W91-F211 HydrophobicContact CH2-CE2 3.9Å; W91-F211 AromaticContact CH2-CG 3.46Å; W91-F211 HydrophobicContact CH2-CG 3.46Å; W91-F211 VanDerWaalsContact CH2-CG 3.46Å; W91-F211 AromaticContact CH2-CZ 3.88Å; W91-F211 HydrophobicContact CH2-CZ 3.88Å; W91-F211 AromaticContact CZ2-CD1 3.99Å; W91-F211 HydrophobicContact CZ2-CD1 3.99Å; W91-F211 HydrophobicContact CZ2-CE1 4.16Å; W91-F211 HydrophobicContact CZ2-CG 4.36Å; W91-F211 HydrophobicContact CZ3-CB 4.1Å; W91-F211 HydrophobicContact CZ3-CD1 4.31Å; W91-F211 AromaticContact CZ3-CD2 3.92Å; W91-F211 HydrophobicContact CZ3-CD2 3.92Å; W91-F211 HydrophobicContact CZ3-CE2 4.4Å; W91-F211 AromaticContact CZ3-CG 3.86Å; W91-F211 HydrophobicContact CZ3-CG 3.86Å; W91-L213 HydrophobicContact CB-CD2 4.28Å; W91-L213 HydrophobicContact CG-CD2 4.38Å; W91-Y244 AromaticContact CD1-CD2 3.55Å; W91-Y244 AromaticContact NE1-CD2 3.86Å
92	C	93.7	Very high	88.8	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-64.4	-42.9	173.2	-67.5	0	0	0	0	111.3	M88 A89 Y90 V94 R95 K96 F99 L119	M88-C92 WeakPolarHBondContact O-CB 3.47Å; M88-C92 PolarHBondContact O-N 3.42Å; M88-C92 PolarHBondContact O-SG 2.67Å; A89-C92 PolarHBondContact O-N 3.32Å; Y90-C92 VanDerWaalsContact C-N 3.27Å; Y90-C92 PolarHBondContact O-N 3.36Å; C92-V94 PolarHBondContact O-N 3.16Å; C92-R95 CarbonylContact O-C 3.56Å; C92-R95 PolarHBondContact O-N 2.97Å; C92-R95 VanDerWaalsContact O-N 3.14Å; C92-K96 PolarHBondContact O-N 3.46Å; C92-F99 HydrophobicContact CB-CE2 3.88Å; C92-F99 HydrophobicContact CB-CZ 3.9Å; C92-F99 VanDerWaalsContact SG-CZ 3.51Å; C92-L119 HydrophobicContact CB-CD1 4.31Å; C92-L119 HydrophobicContact CB-CD2 4.02Å; C92-L119 HydrophobicContact CB-CG 4.16Å
93	M	92.6	Very high	90.1	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-72.2	-23.5	-178.6	-65.4	-45.7	-52.9	0	0	114.4	L53 M56 A89 Y90 R95 K96 F118 A122 L124	L53-M93 HydrophobicContact CD2-CB 3.84Å; L53-M93 HydrophobicContact CD2-CG 3.4Å; L53-M93 HydrophobicContact CG-CG 4.28Å; M56-M93 HydrophobicContact CE-CE 4.25Å; M56-M93 HydrophobicContact SD-CE 3.43Å; M56-M93 WeakPolarHBondContact SD-CE 3.35Å; M56-M93 HydrophobicContact SD-SD 4.33Å; A89-M93 WeakPolarHBondContact O-CG 3.32Å; A89-M93 PolarHBondContact O-N 3.45Å; A89-M93 VanDerWaalsContact O-N 3.12Å; Y90-M93 CarbonylContact O-C 3.49Å; Y90-M93 WeakPolarHBondContact O-CA 3.36Å; Y90-M93 PolarHBondContact O-N 2.87Å; M93-R95 VanDerWaalsContact C-N 3.26Å; M93-K96 HydrophobicContact CE-CD 3.75Å; M93-K96 VanDerWaalsContact CE-CE 3.43Å; M93-K96 HydrophobicContact CE-CG 4.11Å; M93-K96 WeakPolarHBondContact O-CE 3.36Å; M93-K96 WeakPolarHBondContact O-CG 3.12Å; M93-F118 HydrophobicContact CG-CB 4.23Å; M93-F118 HydrophobicContact SD-CB 3.87Å; M93-A122 HydrophobicContact CE-CB 3.92Å; M93-A122 HydrophobicContact SD-CB 4.4Å; M93-L124 HydrophobicContact CE-CD1 4.48Å
94	V	90.6	Very high	91.4	Very high	51 Å²	51	34.4 Å²	34.4	31%	0.309	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-5.6	170.8	-63.3	0	0	0	0	113.5	Y90 W91 C92	Y90-V94 HydrophobicContact CD1-CG1 4.41Å; Y90-V94 HydrophobicContact CD1-CG2 4.48Å; Y90-V94 HydrophobicContact CD2-CG1 4.09Å; Y90-V94 HydrophobicContact CE1-CG1 3.82Å; Y90-V94 HydrophobicContact CE1-CG2 4.08Å; Y90-V94 HydrophobicContact CE2-CG1 3.5Å; Y90-V94 PolarHBondContact O-N 3.36Å; Y90-V94 WeakPolarHBondContact OH-CG1 3.45Å; W91-V94 VanDerWaalsContact O-CG2 3.29Å; W91-V94 WeakPolarHBondContact O-CG2 3.37Å; C92-V94 PolarHBondContact O-N 3.16Å
95	R	92.5	Very high	92.4	Very high	69 Å²	69	33.7 Å²	33.7	26%	0.26	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.3	38.7	-178.6	-69.9	167.8	178.6	-102.2	-1.2	111.3	W91 C92 M93 E97 E98 F99 Y244	W91-R95 VanDerWaalsContact NE1-NE 3.1Å; C92-R95 CarbonylContact O-C 3.56Å; C92-R95 PolarHBondContact O-N 2.97Å; C92-R95 VanDerWaalsContact O-N 3.14Å; M93-R95 VanDerWaalsContact C-N 3.26Å; R95-E97 PolarHBondContact O-N 2.79Å; R95-E97 VanDerWaalsContact O-N 3.07Å; R95-E98 HydrophobicContact CB-CB 4.47Å; R95-E98 HydrophobicContact CB-CG 4.2Å; R95-E98 WeakPolarHBondContact CD-OE1 3.06Å; R95-E98 IonicContact CZ-OE1 3.82Å; R95-E98 IonicContact NH1-OE1 2.8Å; R95-E98 PolarHBondContact NH1-OE1 2.9Å; R95-E98 WeakPolarHBondContact O-CB 3.14Å; R95-E98 PolarHBondContact O-N 3.34Å; R95-F99 HydrophobicContact CB-CE2 4.31Å; R95-F99 VanDerWaalsContact O-CD2 3.26Å; R95-F99 WeakPolarHBondContact O-CD2 3.48Å; R95-Y244 PolarHBondContact NH2-O 3.01Å
96	K	95.2	Very high	93.2	Very high	65 Å²	65	33.3 Å²	33.3	28%	0.283	17%	0.165	S	C	.	.	H	α-helix	trans	-51.6	-39.1	-171.2	-54.2	-168.4	-167.5	-174.9	0	111.8	E54 C92 M93 E98 F99 E100 L124	E54-K96 IonicContact OE2-NZ 3Å; E54-K96 PolarHBondContact OE2-NZ 2.85Å; C92-K96 PolarHBondContact O-N 3.46Å; M93-K96 HydrophobicContact CE-CD 3.75Å; M93-K96 VanDerWaalsContact CE-CE 3.43Å; M93-K96 HydrophobicContact CE-CG 4.11Å; M93-K96 WeakPolarHBondContact O-CE 3.36Å; M93-K96 WeakPolarHBondContact O-CG 3.12Å; K96-E98 VanDerWaalsContact C-N 3.25Å; K96-E98 PolarHBondContact O-N 3.47Å; K96-F99 PolarHBondContact O-N 3.25Å; K96-F99 VanDerWaalsContact O-N 3.08Å; K96-E100 PolarHBondContact O-N 2.96Å; K96-L124 HydrophobicContact CB-CD1 3.67Å; K96-L124 HydrophobicContact CB-CD2 3.93Å; K96-L124 HydrophobicContact CB-CG 4.47Å; K96-L124 HydrophobicContact CD-CD1 4.48Å; K96-L124 HydrophobicContact CG-CD1 4.01Å
97	E	97	Very high	94	Very high	146 Å²	146	32.8 Å²	32.8	68%	0.682	16%	0.162	S	C	*	.	H	α-helix	trans	-63.1	-27.6	-179.2	-55.6	80.4	-175.1	0	0	113	R95 F99	R95-E97 PolarHBondContact O-N 2.79Å; R95-E97 VanDerWaalsContact O-N 3.07Å; E97-F99 PolarHBondContact O-N 2.88Å
98	E	96.5	Very high	94.7	Very high	40 Å²	40	33.2 Å²	33.2	19%	0.187	17%	0.169	C	C	.	.	H	α-helix	trans	-68.3	-22.4	177.3	-65.6	-155.8	-124.5	0	0	112.2	R95 K96 K102 I180 R209	R95-E98 HydrophobicContact CB-CB 4.47Å; R95-E98 HydrophobicContact CB-CG 4.2Å; R95-E98 WeakPolarHBondContact CD-OE1 3.06Å; R95-E98 IonicContact CZ-OE1 3.82Å; R95-E98 IonicContact NH1-OE1 2.8Å; R95-E98 PolarHBondContact NH1-OE1 2.9Å; R95-E98 WeakPolarHBondContact O-CB 3.14Å; R95-E98 PolarHBondContact O-N 3.34Å; K96-E98 VanDerWaalsContact C-N 3.25Å; K96-E98 PolarHBondContact O-N 3.47Å; E98-K102 WeakPolarHBondContact O-CG 3.45Å; E98-I180 VanDerWaalsContact O-CD1 3.28Å; E98-I180 WeakPolarHBondContact O-CD1 3.49Å; E98-R209 IonicContact OE2-CZ 3.14Å; E98-R209 IonicContact OE2-NH1 2.8Å; E98-R209 PolarHBondContact OE2-NH1 2.89Å; E98-R209 IonicContact OE2-NH2 3.32Å; E98-R209 PolarHBondContact OE2-NH2 3.4Å
99	F	98.4	Very high	94.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-102.8	-9.2	-174.8	-59.3	-85.1	0	0	0	114	W91 C92 R95 K96 E97 A101 K102 V104 L119 L124 P125 I180 L182	W91-F99 AromaticContact CZ3-CZ 3.97Å; W91-F99 HydrophobicContact CZ3-CZ 3.97Å; C92-F99 HydrophobicContact CB-CE2 3.88Å; C92-F99 HydrophobicContact CB-CZ 3.9Å; C92-F99 VanDerWaalsContact SG-CZ 3.51Å; R95-F99 HydrophobicContact CB-CE2 4.31Å; R95-F99 VanDerWaalsContact O-CD2 3.26Å; R95-F99 WeakPolarHBondContact O-CD2 3.48Å; K96-F99 PolarHBondContact O-N 3.25Å; K96-F99 VanDerWaalsContact O-N 3.08Å; E97-F99 PolarHBondContact O-N 2.88Å; F99-A101 PolarHBondContact O-N 2.83Å; F99-K102 WeakPolarHBondContact O-CB 3.03Å; F99-K102 PolarHBondContact O-N 3.5Å; F99-K102 VanDerWaalsContact O-N 3.14Å; F99-V104 HydrophobicContact CD1-CG1 4.47Å; F99-V104 HydrophobicContact CD1-CG2 3.94Å; F99-L119 HydrophobicContact CB-CD2 3.85Å; F99-L119 HydrophobicContact CD1-CD1 3.85Å; F99-L119 HydrophobicContact CD1-CD2 3.89Å; F99-L119 HydrophobicContact CD2-CD2 3.81Å; F99-L119 HydrophobicContact CE1-CD1 3.94Å; F99-L119 HydrophobicContact CE1-CD2 4.39Å; F99-L119 HydrophobicContact CE2-CD2 4.35Å; F99-L119 HydrophobicContact CG-CD1 4.4Å; F99-L119 HydrophobicContact CG-CD2 3.55Å; F99-L124 HydrophobicContact CB-CB 4.04Å; F99-L124 CarbonylContact O-C 3.54Å; F99-P125 WeakPolarHBondContact O-CA 3.29Å; F99-I180 HydrophobicContact CD1-CD1 3.82Å; F99-I180 HydrophobicContact CE1-CD1 3.91Å; F99-I180 HydrophobicContact CE1-CG2 4.14Å; F99-I180 HydrophobicContact CG-CD1 4.49Å; F99-L182 HydrophobicContact CE1-CD1 4.11Å; F99-L182 HydrophobicContact CE1-CD2 4.23Å; F99-L182 HydrophobicContact CZ-CD2 4.45Å
100	E	98	Very high	94.7	Very high	134 Å²	134	33.5 Å²	33.5	63%	0.626	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	124.5	-177.1	-169.4	174.6	-166.2	0	0	112	K96 K102 L124	K96-E100 PolarHBondContact O-N 2.96Å; E100-K102 WeakPolarHBondContact O-CG 3.36Å; E100-K102 PolarHBondContact O-N 3.25Å; E100-L124 CarbonylContact C-O 3.59Å; E100-L124 WeakPolarHBondContact CA-O 3.31Å
101	A	98	Very high	94.2	Very high	65 Å²	65	33.3 Å²	33.3	54%	0.537	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	18	-178.6	0	0	0	0	0	115	F99 L124	F99-A101 PolarHBondContact O-N 2.83Å; A101-L124 PolarHBondContact N-O 3.29Å
102	K	98.6	Very high	94.1	Very high	83 Å²	83	33 Å²	33	36%	0.361	17%	0.17	S	C	.	.			trans	-83.8	156.7	-179.9	-61	-49.3	179.5	-176.6	0	112.8	E98 F99 E100 V104 P125 R126 L127 D179 I180	E98-K102 WeakPolarHBondContact O-CG 3.45Å; F99-K102 WeakPolarHBondContact O-CB 3.03Å; F99-K102 PolarHBondContact O-N 3.5Å; F99-K102 VanDerWaalsContact O-N 3.14Å; E100-K102 WeakPolarHBondContact O-CG 3.36Å; E100-K102 PolarHBondContact O-N 3.25Å; K102-V104 HydrophobicContact CB-CG2 4.06Å; K102-P125 CarbonylContact O-C 3.49Å; K102-P125 WeakPolarHBondContact O-CA 3.47Å; K102-P125 WeakPolarHBondContact O-CB 3.24Å; K102-R126 PolarHBondContact O-N 3.47Å; K102-L127 PolarHBondContact O-N 2.91Å; K102-D179 HydrophobicContact CB-CB 4.15Å; K102-D179 HydrophobicContact CD-CB 4.03Å; K102-D179 HydrophobicContact CG-CB 4.39Å; K102-I180 HydrophobicContact CG-CD1 4.43Å
103	A	98.5	Very high	94	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	120.5	160.4	0	0	0	0	0	109.2	L127 Q177 F178 D179 I180	A103-L127 CarbonylContact C-O 3.51Å; A103-L127 WeakPolarHBondContact CA-O 3.31Å; A103-L127 HydrophobicContact CB-CB 4.11Å; A103-L127 HydrophobicContact CB-CD2 4.2Å; A103-Q177 VanDerWaalsContact CB-O 3.24Å; A103-Q177 WeakPolarHBondContact CB-O 3.43Å; A103-F178 HydrophobicContact CB-CD1 4.06Å; A103-F178 CarbonylContact O-C 3.52Å; A103-D179 PolarHBondContact N-OD2 2.9Å; A103-D179 PolarHBondContact O-N 2.92Å; A103-I180 PolarHBondContact O-N 2.86Å; A103-I180 VanDerWaalsContact O-N 3.16Å
104	V	98.8	Very high	94	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	138.5	-174.7	-173.3	0	0	0	0	109.6	F99 K102 L119 P125 L127 L128 A129 F178 I180 L182	F99-V104 HydrophobicContact CD1-CG1 4.47Å; F99-V104 HydrophobicContact CD1-CG2 3.94Å; K102-V104 HydrophobicContact CB-CG2 4.06Å; V104-L119 HydrophobicContact CG1-CD1 4.45Å; V104-P125 HydrophobicContact CG2-CB 3.89Å; V104-L127 PolarHBondContact N-O 3.47Å; V104-L128 HydrophobicContact CB-CD1 3.73Å; V104-L128 HydrophobicContact CG1-CD1 3.9Å; V104-L128 CarbonylContact O-C 3.52Å; V104-L128 VanDerWaalsContact O-CA 3.31Å; V104-L128 WeakPolarHBondContact O-CA 3.42Å; V104-A129 PolarHBondContact O-N 2.8Å; V104-F178 WeakPolarHBondContact O-CD1 3.08Å; V104-F178 WeakPolarHBondContact O-CE1 3.31Å; V104-I180 CarbonylContact C-O 3.5Å; V104-I180 VanDerWaalsContact CA-O 3.29Å; V104-I180 WeakPolarHBondContact CA-O 3.28Å; V104-I180 HydrophobicContact CG1-CB 4.32Å; V104-I180 HydrophobicContact CG1-CG2 4.32Å; V104-I180 HydrophobicContact CG2-CB 4.32Å; V104-L182 HydrophobicContact CG1-CD1 3.88Å; V104-L182 HydrophobicContact CG1-CG 4.07Å
105	C	98.5	Very high	94.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	127.3	172.8	-178	0	0	0	0	109.9	A129 F178 I180 V181 L182	C105-A129 CarbonylContact C-O 3.59Å; C105-A129 VanDerWaalsContact CA-O 3.29Å; C105-A129 WeakPolarHBondContact CA-O 3.33Å; C105-A129 HydrophobicContact CB-CB 4.26Å; C105-F178 HydrophobicContact CB-CB 4.34Å; C105-F178 HydrophobicContact CB-CD1 3.61Å; C105-F178 HydrophobicContact CB-CD2 3.63Å; C105-F178 HydrophobicContact CB-CE1 3.68Å; C105-F178 HydrophobicContact CB-CE2 3.68Å; C105-F178 HydrophobicContact CB-CG 3.57Å; C105-F178 HydrophobicContact CB-CZ 3.72Å; C105-I180 PolarHBondContact N-O 3.16Å; C105-V181 HydrophobicContact CB-CG2 4.32Å; C105-V181 CarbonylContact O-C 3.56Å; C105-V181 VanDerWaalsContact O-CA 3.28Å; C105-V181 WeakPolarHBondContact O-CA 3.49Å; C105-L182 PolarHBondContact O-N 3.26Å
106	E	98.3	Very high	94.4	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	122.5	169.4	-171	174.2	178.1	0	0	109.8	M88 A109 S116 A129 T131 L182	M88-E106 HydrophobicContact CE-CG 4.12Å; M88-E106 WeakPolarHBondContact CE-OE1 3.43Å; E106-A109 HydrophobicContact CB-CB 4.47Å; E106-A109 HydrophobicContact CG-CB 3.92Å; E106-S116 WeakPolarHBondContact CB-OG 3.26Å; E106-S116 WeakPolarHBondContact OE2-CB 3.4Å; E106-S116 PolarHBondContact OE2-N 3.27Å; E106-S116 PolarHBondContact OE2-OG 2.9Å; E106-A129 PolarHBondContact N-O 2.9Å; E106-T131 WeakPolarHBondContact O-CA 3.47Å; E106-T131 WeakPolarHBondContact O-CB 3.38Å; E106-T131 PolarHBondContact O-N 3.37Å; E106-T131 PolarHBondContact O-OG1 3.08Å; E106-L182 WeakPolarHBondContact CA-O 3.4Å; E106-L182 HydrophobicContact CB-CB 4.4Å; E106-L182 HydrophobicContact CG-CB 4.33Å
107	L	96.7	Very high	94.4	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	135.2	175.4	-70.2	177.3	0	0	0	110.2	A109 L163 V181 L182 A183 C186 L196 T199 V200 L203	L107-A109 VanDerWaalsContact C-N 3.31Å; L107-A109 PolarHBondContact O-N 2.95Å; L107-L163 HydrophobicContact CD2-CD1 3.9Å; L107-L163 HydrophobicContact CD2-CD2 3.72Å; L107-L163 HydrophobicContact CD2-CG 4.38Å; L107-V181 HydrophobicContact CD1-CG1 3.65Å; L107-V181 HydrophobicContact CG-CG1 3.96Å; L107-L182 PolarHBondContact N-O 3.13Å; L107-A183 HydrophobicContact CB-CB 4.39Å; L107-C186 PolarHBondContact O-SG 3.29Å; L107-L196 HydrophobicContact CD1-CD1 3.82Å; L107-T199 HydrophobicContact CD1-CG2 4.12Å; L107-T199 HydrophobicContact CD2-CG2 4.09Å; L107-V200 HydrophobicContact CD1-CG2 3.72Å; L107-L203 HydrophobicContact CD1-CD1 4.1Å; L107-L203 HydrophobicContact CD2-CD1 3.72Å; L107-L203 HydrophobicContact CG-CD1 4.2Å
108	G	93.3	Very high	94.5	Very high	19 Å²	19	17.1 Å²	17.1	20%	0.196	10%	0.097	C	C	.	.	S	Bend	trans	61.6	43.3	177.6	0	0	0	0	0	111.6	G110 T131	G108-G110 PolarHBondContact O-N 2.8Å; G108-T131 PolarHBondContact N-O 3.1Å
109	A	93.1	Very high	94.5	Very high	2 Å²	2	15.2 Å²	15.2	2%	0.017	9%	0.088	C	C	.	.			trans	-63	-10.1	-175.5	0	0	0	0	0	113.7	E106 L107 G113 I130 T131 I141	E106-A109 HydrophobicContact CB-CB 4.47Å; E106-A109 HydrophobicContact CG-CB 3.92Å; L107-A109 VanDerWaalsContact C-N 3.31Å; L107-A109 PolarHBondContact O-N 2.95Å; A109-G113 WeakPolarHBondContact O-CA 3.35Å; A109-G113 PolarHBondContact O-N 2.69Å; A109-I130 HydrophobicContact CB-CG2 3.56Å; A109-T131 WeakPolarHBondContact CB-O 3.36Å; A109-T131 PolarHBondContact N-O 3.22Å; A109-I141 HydrophobicContact CB-CD1 3.86Å
110	G	85.6	Confident	94.5	Very high	5 Å²	5	15.2 Å²	15.2	5%	0.052	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	-150.7	-177.3	0	0	0	0	0	111.1	G108 D132 C137 I141	G108-G110 PolarHBondContact O-N 2.8Å; G110-D132 WeakPolarHBondContact CA-OD2 3.45Å; G110-D132 PolarHBondContact N-OD2 3.14Å; G110-C137 WeakPolarHBondContact O-CB 3.22Å; G110-I141 WeakPolarHBondContact O-CD1 3.29Å; G110-I141 WeakPolarHBondContact O-CG1 3.31Å
111	M	78	Confident	94.5	Very high	6 Å²	6	10.1 Å²	10.1	3%	0.03	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-31.1	-176.6	-76.1	-70.8	-87.8	0	0	113.7	T63 F65 G77 N78 N140 I141	T63-M111 WeakPolarHBondContact OG1-CE 3.46Å; F65-M111 HydrophobicContact CE1-CE 3.93Å; F65-M111 HydrophobicContact CZ-CE 3.67Å; G77-M111 WeakPolarHBondContact O-CG 3.46Å; G77-M111 PolarHBondContact O-N 2.8Å; N78-M111 VanDerWaalsContact CA-CG 3.48Å; N78-M111 HydrophobicContact CB-CG 4.15Å; N78-M111 WeakPolarHBondContact OD1-CG 3.36Å; N78-M111 PolarHBondContact OD1-SD 3.03Å; M111-N140 HydrophobicContact CE-CB 3.65Å; M111-N140 VanDerWaalsContact CE-CG 3.44Å; M111-N140 PolarHBondContact O-ND2 2.75Å; M111-N140 HydrophobicContact SD-CB 3.56Å; M111-N140 VanDerWaalsContact SD-CB 3.56Å; M111-I141 PolarHBondContact O-N 2.8Å
112	V	84.1	Confident	94.5	Very high	4 Å²	4	8.6 Å²	8.6	2%	0.024	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-45.4	-166.3	-178.1	0	0	0	0	111.4	Y60 I81 L114 L117	Y60-V112 HydrophobicContact CD2-CG1 4.35Å; Y60-V112 HydrophobicContact CD2-CG2 3.59Å; Y60-V112 HydrophobicContact CE2-CG2 4.28Å; Y60-V112 HydrophobicContact CG-CG1 3.93Å; Y60-V112 HydrophobicContact CG-CG2 4.03Å; I81-V112 HydrophobicContact CD1-CG2 4.31Å; I81-V112 HydrophobicContact CG1-CG2 4.06Å; V112-L114 HydrophobicContact CG1-CB 4.08Å; V112-L114 HydrophobicContact CG1-CD1 4.04Å; V112-L117 HydrophobicContact CG1-CD1 3.67Å; V112-L117 WeakPolarHBondContact O-CD1 3.21Å
113	G	92.4	Very high	94.4	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	5%	0.048	C	C	.	.			trans	62.1	49.8	-166.5	0	0	0	0	0	110.2	E85 A109 A115 S116 L117	E85-G113 PolarHBondContact OE1-N 3.35Å; A109-G113 WeakPolarHBondContact O-CA 3.35Å; A109-G113 PolarHBondContact O-N 2.69Å; G113-A115 VanDerWaalsContact C-N 3.3Å; G113-A115 PolarHBondContact O-N 3.18Å; G113-S116 WeakPolarHBondContact O-CA 3.36Å; G113-S116 WeakPolarHBondContact O-CB 3.4Å; G113-S116 PolarHBondContact O-N 3.29Å; G113-L117 PolarHBondContact O-N 2.51Å
114	L	91.5	Very high	94.4	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-55.7	-44.4	-167.7	-172.8	66.4	0	0	0	112.4	I36 A51 V58 I81 E85 E86 A89 V112 L117 F118	I36-L114 HydrophobicContact CD1-CD2 3.87Å; A51-L114 HydrophobicContact CB-CD1 3.76Å; V58-L114 HydrophobicContact CG2-CD1 3.83Å; I81-L114 HydrophobicContact CD1-CD2 4.47Å; I81-L114 HydrophobicContact CG2-CD2 4.07Å; E85-L114 HydrophobicContact CG-CB 3.87Å; E85-L114 WeakPolarHBondContact OE1-CB 3.41Å; E85-L114 PolarHBondContact OE1-N 2.65Å; E86-L114 HydrophobicContact CG-CD2 4.46Å; A89-L114 HydrophobicContact CB-CB 4.5Å; A89-L114 HydrophobicContact CB-CD2 4.09Å; A89-L114 HydrophobicContact CB-CG 4.02Å; V112-L114 HydrophobicContact CG1-CB 4.08Å; V112-L114 HydrophobicContact CG1-CD1 4.04Å; L114-L117 PolarHBondContact O-N 2.57Å; L114-F118 HydrophobicContact CD1-CD2 4.14Å; L114-F118 HydrophobicContact CD1-CE2 3.7Å; L114-F118 HydrophobicContact CD2-CE2 4.41Å; L114-F118 HydrophobicContact CG-CD2 4Å; L114-F118 HydrophobicContact CG-CE2 3.82Å; L114-F118 VanDerWaalsContact O-CD2 3.28Å; L114-F118 WeakPolarHBondContact O-CD2 3.05Å; L114-F118 PolarHBondContact O-N 3.23Å
115	A	93.7	Very high	94.4	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-61.8	-45	178	0	0	0	0	0	111.3	M88 A89 G113 F118 L119	M88-A115 HydrophobicContact CB-CB 4.42Å; M88-A115 HydrophobicContact CE-CB 3.82Å; M88-A115 HydrophobicContact CG-CB 3.93Å; A89-A115 HydrophobicContact CB-CB 4.12Å; G113-A115 VanDerWaalsContact C-N 3.3Å; G113-A115 PolarHBondContact O-N 3.18Å; A115-F118 PolarHBondContact O-N 3.05Å; A115-L119 WeakPolarHBondContact O-CB 3.49Å; A115-L119 WeakPolarHBondContact O-CG 3.24Å; A115-L119 PolarHBondContact O-N 3Å
116	S	97.9	Very high	94.4	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-60.9	-43	174.4	-76.5	0	0	0	0	113.1	E106 G113 F118 L119 A120 L128	E106-S116 WeakPolarHBondContact CB-OG 3.26Å; E106-S116 WeakPolarHBondContact OE2-CB 3.4Å; E106-S116 PolarHBondContact OE2-N 3.27Å; E106-S116 PolarHBondContact OE2-OG 2.9Å; G113-S116 WeakPolarHBondContact O-CA 3.36Å; G113-S116 WeakPolarHBondContact O-CB 3.4Å; G113-S116 PolarHBondContact O-N 3.29Å; S116-F118 VanDerWaalsContact C-N 3.34Å; S116-F118 PolarHBondContact O-N 2.81Å; S116-L119 PolarHBondContact O-N 2.92Å; S116-A120 WeakPolarHBondContact O-CB 3.02Å; S116-A120 PolarHBondContact O-N 2.79Å; S116-L128 WeakPolarHBondContact O-CD2 3.23Å
117	L	96.7	Very high	94.4	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-61.5	-43.4	177.5	-68.6	179.1	0	0	0	111.5	V58 V112 G113 L114 A120 V121	V58-L117 HydrophobicContact CB-CB 4.12Å; V58-L117 HydrophobicContact CG1-CB 4.01Å; V112-L117 HydrophobicContact CG1-CD1 3.67Å; V112-L117 WeakPolarHBondContact O-CD1 3.21Å; G113-L117 PolarHBondContact O-N 2.51Å; L114-L117 PolarHBondContact O-N 2.57Å; L117-A120 PolarHBondContact O-N 3.05Å; L117-V121 WeakPolarHBondContact O-CG2 3.34Å; L117-V121 PolarHBondContact O-N 2.73Å
118	F	97.2	Very high	94.4	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63.6	-46.6	174.8	-82.3	-65.1	0	0	0	111.7	I36 A51 L53 M56 V58 A89 M93 L114 A115 S116 A120 V121 A122	I36-F118 HydrophobicContact CD1-CE2 4.23Å; A51-F118 HydrophobicContact CB-CE2 4.37Å; A51-F118 HydrophobicContact CB-CZ 4.17Å; L53-F118 HydrophobicContact CB-CD1 4.15Å; L53-F118 HydrophobicContact CB-CE1 3.48Å; L53-F118 VanDerWaalsContact CB-CE1 3.48Å; L53-F118 HydrophobicContact CB-CE2 4.08Å; L53-F118 HydrophobicContact CB-CZ 3.43Å; L53-F118 VanDerWaalsContact CB-CZ 3.43Å; L53-F118 HydrophobicContact CD2-CD1 4.49Å; L53-F118 HydrophobicContact CD2-CD2 4.33Å; L53-F118 HydrophobicContact CD2-CE2 4.33Å; L53-F118 HydrophobicContact CD2-CG 4.4Å; L53-F118 HydrophobicContact CD2-CZ 4.44Å; M56-F118 HydrophobicContact CB-CD1 4.11Å; M56-F118 HydrophobicContact CB-CE1 4.04Å; M56-F118 HydrophobicContact CE-CD1 4.16Å; M56-F118 VanDerWaalsContact CE-O 3.27Å; M56-F118 WeakPolarHBondContact CE-O 3.28Å; V58-F118 HydrophobicContact CB-CE1 4.36Å; V58-F118 HydrophobicContact CB-CZ 4.49Å; V58-F118 HydrophobicContact CG1-CB 4.49Å; V58-F118 HydrophobicContact CG1-CD1 3.55Å; V58-F118 HydrophobicContact CG1-CD2 4.38Å; V58-F118 HydrophobicContact CG1-CE1 3.74Å; V58-F118 HydrophobicContact CG1-CG 3.89Å; V58-F118 HydrophobicContact CG1-CZ 4.27Å; V58-F118 HydrophobicContact CG2-CD1 4.32Å; V58-F118 HydrophobicContact CG2-CD2 4.11Å; V58-F118 HydrophobicContact CG2-CE1 3.86Å; V58-F118 HydrophobicContact CG2-CE2 3.67Å; V58-F118 HydrophobicContact CG2-CG 4.42Å; V58-F118 HydrophobicContact CG2-CZ 3.53Å; A89-F118 HydrophobicContact CB-CD2 3.92Å; A89-F118 HydrophobicContact CB-CE2 4.4Å; M93-F118 HydrophobicContact CG-CB 4.23Å; M93-F118 HydrophobicContact SD-CB 3.87Å; L114-F118 HydrophobicContact CD1-CD2 4.14Å; L114-F118 HydrophobicContact CD1-CE2 3.7Å; L114-F118 HydrophobicContact CD2-CE2 4.41Å; L114-F118 HydrophobicContact CG-CD2 4Å; L114-F118 HydrophobicContact CG-CE2 3.82Å; L114-F118 VanDerWaalsContact O-CD2 3.28Å; L114-F118 WeakPolarHBondContact O-CD2 3.05Å; L114-F118 PolarHBondContact O-N 3.23Å; A115-F118 PolarHBondContact O-N 3.05Å; S116-F118 VanDerWaalsContact C-N 3.34Å; S116-F118 PolarHBondContact O-N 2.81Å; F118-A120 VanDerWaalsContact C-N 3.27Å; F118-A120 PolarHBondContact O-N 2.83Å; F118-V121 PolarHBondContact O-N 3.17Å; F118-A122 VanDerWaalsContact O-CB 3.28Å; F118-A122 WeakPolarHBondContact O-CB 3.28Å; F118-A122 PolarHBondContact O-N 2.99Å
119	L	98.3	Very high	94.7	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-57.1	-41.2	175.9	-75.6	173.1	0	0	0	112.3	C92 F99 V104 A115 S116 A122 G123 L124 P125 L182	C92-L119 HydrophobicContact CB-CD1 4.31Å; C92-L119 HydrophobicContact CB-CD2 4.02Å; C92-L119 HydrophobicContact CB-CG 4.16Å; F99-L119 HydrophobicContact CB-CD2 3.85Å; F99-L119 HydrophobicContact CD1-CD1 3.85Å; F99-L119 HydrophobicContact CD1-CD2 3.89Å; F99-L119 HydrophobicContact CD2-CD2 3.81Å; F99-L119 HydrophobicContact CE1-CD1 3.94Å; F99-L119 HydrophobicContact CE1-CD2 4.39Å; F99-L119 HydrophobicContact CE2-CD2 4.35Å; F99-L119 HydrophobicContact CG-CD1 4.4Å; F99-L119 HydrophobicContact CG-CD2 3.55Å; V104-L119 HydrophobicContact CG1-CD1 4.45Å; A115-L119 WeakPolarHBondContact O-CB 3.49Å; A115-L119 WeakPolarHBondContact O-CG 3.24Å; A115-L119 PolarHBondContact O-N 3Å; S116-L119 PolarHBondContact O-N 2.92Å; L119-A122 PolarHBondContact O-N 3.44Å; L119-G123 PolarHBondContact O-N 3.37Å; L119-L124 HydrophobicContact CD2-CD1 3.96Å; L119-L124 PolarHBondContact O-N 3.4Å; L119-P125 HydrophobicContact CB-CG 4.33Å; L119-P125 WeakPolarHBondContact O-CD 3.23Å; L119-L182 HydrophobicContact CD1-CD1 3.89Å
120	A	98	Very high	94.9	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.008	7%	0.073	C	C	.	.	H	α-helix	trans	-66.2	-49.3	178.9	0	0	0	0	0	112.1	S116 L117 F118 A122 G123 L128 I152 V156 V158	S116-A120 WeakPolarHBondContact O-CB 3.02Å; S116-A120 PolarHBondContact O-N 2.79Å; L117-A120 PolarHBondContact O-N 3.05Å; F118-A120 VanDerWaalsContact C-N 3.27Å; F118-A120 PolarHBondContact O-N 2.83Å; A120-A122 PolarHBondContact O-N 3.27Å; A120-G123 PolarHBondContact O-N 2.8Å; A120-L128 HydrophobicContact CB-CD2 3.84Å; A120-I152 HydrophobicContact CB-CD1 3.78Å; A120-I152 HydrophobicContact CB-CG1 3.98Å; A120-I152 HydrophobicContact CB-CG2 4.38Å; A120-V156 HydrophobicContact CB-CG1 4.45Å; A120-V158 HydrophobicContact CB-CG2 4.09Å
121	V	97.5	Very high	95.4	Very high	26 Å²	26	13 Å²	13	16%	0.158	7%	0.071	C	C	.	.	H	α-helix	trans	-64.6	-32	177.9	172.8	0	0	0	0	111.3	M56 V58 L117 F118 G123 N148 R151 I152	M56-V121 HydrophobicContact CE-CB 3.91Å; M56-V121 HydrophobicContact CE-CG1 3.8Å; V58-V121 HydrophobicContact CG1-CB 4.36Å; V58-V121 HydrophobicContact CG1-CG2 4.02Å; L117-V121 WeakPolarHBondContact O-CG2 3.34Å; L117-V121 PolarHBondContact O-N 2.73Å; F118-V121 PolarHBondContact O-N 3.17Å; V121-G123 PolarHBondContact O-N 2.94Å; V121-N148 HydrophobicContact CG2-CB 4.14Å; V121-R151 HydrophobicContact CG1-CB 4.24Å; V121-R151 HydrophobicContact CG2-CB 4.18Å; V121-I152 HydrophobicContact CG2-CG1 4.02Å
122	A	97.2	Very high	96.1	Very high	33 Å²	33	13.7 Å²	13.7	27%	0.273	8%	0.075	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-14.3	174.8	0	0	0	0	0	113.5	M56 M93 F118 L119 A120 L124	M56-A122 HydrophobicContact CE-CB 3.6Å; M56-A122 VanDerWaalsContact CE-N 3.29Å; M56-A122 HydrophobicContact SD-CB 4.2Å; M93-A122 HydrophobicContact CE-CB 3.92Å; M93-A122 HydrophobicContact SD-CB 4.4Å; F118-A122 VanDerWaalsContact O-CB 3.28Å; F118-A122 WeakPolarHBondContact O-CB 3.28Å; F118-A122 PolarHBondContact O-N 2.99Å; L119-A122 PolarHBondContact O-N 3.44Å; A120-A122 PolarHBondContact O-N 3.27Å; A122-L124 VanDerWaalsContact C-N 3.25Å; A122-L124 HydrophobicContact CB-CD1 3.62Å; A122-L124 HydrophobicContact CB-CG 3.62Å; A122-L124 PolarHBondContact O-N 2.9Å
123	G	97.8	Very high	96.5	Very high	23 Å²	23	14.7 Å²	14.7	24%	0.237	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	14.4	-178.4	0	0	0	0	0	114.6	L119 A120 V121	L119-G123 PolarHBondContact O-N 3.37Å; A120-G123 PolarHBondContact O-N 2.8Å; V121-G123 PolarHBondContact O-N 2.94Å
124	L	97.7	Very high	96.2	Very high	29 Å²	29	16.2 Å²	16.2	15%	0.152	9%	0.094	C	C	.	.			trans	-77.9	-57.3	-168.3	-62.1	168.1	0	0	0	113.1	M93 K96 F99 E100 A101 L119 A122	M93-L124 HydrophobicContact CE-CD1 4.48Å; K96-L124 HydrophobicContact CB-CD1 3.67Å; K96-L124 HydrophobicContact CB-CD2 3.93Å; K96-L124 HydrophobicContact CB-CG 4.47Å; K96-L124 HydrophobicContact CD-CD1 4.48Å; K96-L124 HydrophobicContact CG-CD1 4.01Å; F99-L124 HydrophobicContact CB-CB 4.04Å; F99-L124 CarbonylContact O-C 3.54Å; E100-L124 CarbonylContact C-O 3.59Å; E100-L124 WeakPolarHBondContact CA-O 3.31Å; A101-L124 PolarHBondContact N-O 3.29Å; L119-L124 HydrophobicContact CD2-CD1 3.96Å; L119-L124 PolarHBondContact O-N 3.4Å; A122-L124 VanDerWaalsContact C-N 3.25Å; A122-L124 HydrophobicContact CB-CD1 3.62Å; A122-L124 HydrophobicContact CB-CG 3.62Å; A122-L124 PolarHBondContact O-N 2.9Å
125	P	98.4	Very high	96.1	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.013	12%	0.118	C	C	.	.			trans	-76.1	149.9	-177.5	31.8	-34	0	0	0	111.8	F99 K102 V104 L119 L128 V156	F99-P125 WeakPolarHBondContact O-CA 3.29Å; K102-P125 CarbonylContact O-C 3.49Å; K102-P125 WeakPolarHBondContact O-CA 3.47Å; K102-P125 WeakPolarHBondContact O-CB 3.24Å; V104-P125 HydrophobicContact CG2-CB 3.89Å; L119-P125 HydrophobicContact CB-CG 4.33Å; L119-P125 WeakPolarHBondContact O-CD 3.23Å; P125-L128 HydrophobicContact CG-CB 4.19Å; P125-L128 HydrophobicContact CG-CD1 4.47Å; P125-V156 HydrophobicContact CG-CG1 4.13Å; P125-V156 WeakPolarHBondContact O-CG2 3.37Å
126	R	98.3	Very high	95.7	Very high	125 Å²	125	24.3 Å²	24.3	47%	0.472	14%	0.137	S	C	.	.	S	Bend	trans	-75.6	-37.1	167.7	-179.7	-178.5	63.4	78.3	-5	111.4	K102 T157	K102-R126 PolarHBondContact O-N 3.47Å; R126-T157 PolarHBondContact O-N 2.78Å
127	L	98.4	Very high	95.2	Very high	23 Å²	23	24.5 Å²	24.5	12%	0.12	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	132.5	-179.6	172.6	66	0	0	0	108.7	K102 A103 V104 T157 I159 F178	K102-L127 PolarHBondContact O-N 2.91Å; A103-L127 CarbonylContact C-O 3.51Å; A103-L127 WeakPolarHBondContact CA-O 3.31Å; A103-L127 HydrophobicContact CB-CB 4.11Å; A103-L127 HydrophobicContact CB-CD2 4.2Å; V104-L127 PolarHBondContact N-O 3.47Å; L127-T157 CarbonylContact C-O 3.39Å; L127-T157 WeakPolarHBondContact CA-O 3.5Å; L127-T157 HydrophobicContact CD1-CG2 3.85Å; L127-I159 HydrophobicContact CD1-CD1 3.82Å; L127-I159 HydrophobicContact CD1-CG1 4.16Å; L127-F178 HydrophobicContact CD2-CE1 4.16Å; L127-F178 HydrophobicContact CG-CE1 4.43Å
128	L	98.4	Very high	95	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	119.9	176.7	-172.5	65.6	0	0	0	109.7	V104 S116 A120 P125 I130 T157 V158 I159	V104-L128 HydrophobicContact CB-CD1 3.73Å; V104-L128 HydrophobicContact CG1-CD1 3.9Å; V104-L128 CarbonylContact O-C 3.52Å; V104-L128 VanDerWaalsContact O-CA 3.31Å; V104-L128 WeakPolarHBondContact O-CA 3.42Å; S116-L128 WeakPolarHBondContact O-CD2 3.23Å; A120-L128 HydrophobicContact CB-CD2 3.84Å; P125-L128 HydrophobicContact CG-CB 4.19Å; P125-L128 HydrophobicContact CG-CD1 4.47Å; L128-I130 HydrophobicContact CD2-CD1 4.32Å; L128-I130 HydrophobicContact CD2-CG1 4.28Å; L128-I130 HydrophobicContact CG-CG1 4.14Å; L128-T157 PolarHBondContact N-O 2.78Å; L128-V158 HydrophobicContact CB-CG2 4.4Å; L128-V158 CarbonylContact O-C 3.57Å; L128-V158 VanDerWaalsContact O-CA 3.31Å; L128-V158 WeakPolarHBondContact O-CA 3.33Å; L128-I159 PolarHBondContact O-N 3.47Å
129	A	97.9	Very high	94.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	115.2	171	0	0	0	0	0	109.5	V104 C105 E106 T131 I159 F174 F178	V104-A129 PolarHBondContact O-N 2.8Å; C105-A129 CarbonylContact C-O 3.59Å; C105-A129 VanDerWaalsContact CA-O 3.29Å; C105-A129 WeakPolarHBondContact CA-O 3.33Å; C105-A129 HydrophobicContact CB-CB 4.26Å; E106-A129 PolarHBondContact N-O 2.9Å; A129-T131 HydrophobicContact CB-CG2 4.23Å; A129-I159 CarbonylContact C-O 3.57Å; A129-I159 WeakPolarHBondContact CA-O 3.29Å; A129-F174 HydrophobicContact CB-CE1 4.1Å; A129-F174 HydrophobicContact CB-CZ 4.46Å; A129-F178 HydrophobicContact CB-CE1 3.69Å; A129-F178 HydrophobicContact CB-CZ 3.48Å; A129-F178 VanDerWaalsContact CB-CZ 3.48Å
130	I	97.6	Very high	94.2	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	114	177.2	-39.9	-179.1	0	0	0	107.2	A109 L128 I141 V158 I159 C160 D161	A109-I130 HydrophobicContact CB-CG2 3.56Å; L128-I130 HydrophobicContact CD2-CD1 4.32Å; L128-I130 HydrophobicContact CD2-CG1 4.28Å; L128-I130 HydrophobicContact CG-CG1 4.14Å; I130-I141 HydrophobicContact CB-CG2 3.8Å; I130-I141 HydrophobicContact CD1-CG2 4.18Å; I130-I141 HydrophobicContact CG2-CD1 4.03Å; I130-I141 HydrophobicContact CG2-CG1 4.34Å; I130-I141 HydrophobicContact CG2-CG2 3.59Å; I130-V158 HydrophobicContact CD1-CG1 3.89Å; I130-V158 HydrophobicContact CG1-CG1 4.15Å; I130-I159 PolarHBondContact N-O 3.29Å; I130-C160 WeakPolarHBondContact O-CA 3.38Å; I130-D161 PolarHBondContact O-N 3.14Å; I130-D161 VanDerWaalsContact O-N 3.13Å
131	T	96.3	Very high	93.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	147.2	-167.6	74.8	0	0	0	0	113.9	E106 G108 A109 A129 D161 L163	E106-T131 WeakPolarHBondContact O-CA 3.47Å; E106-T131 WeakPolarHBondContact O-CB 3.38Å; E106-T131 PolarHBondContact O-N 3.37Å; E106-T131 PolarHBondContact O-OG1 3.08Å; G108-T131 PolarHBondContact N-O 3.1Å; A109-T131 WeakPolarHBondContact CB-O 3.36Å; A109-T131 PolarHBondContact N-O 3.22Å; A129-T131 HydrophobicContact CB-CG2 4.23Å; T131-D161 VanDerWaalsContact CA-O 3.27Å; T131-D161 WeakPolarHBondContact CA-O 3.32Å; T131-D161 WeakPolarHBondContact CB-O 3.45Å; T131-L163 HydrophobicContact CG2-CB 4.18Å; T131-L163 HydrophobicContact CG2-CD1 4.13Å
132	D	93.9	Very high	93.8	Very high	20 Å²	20	31.1 Å²	31.1	11%	0.107	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	154.5	173.6	-160.9	-76.2	0	0	0	110.7	G110 N134 C137 V138 I141 D161 R162 L163	G110-D132 WeakPolarHBondContact CA-OD2 3.45Å; G110-D132 PolarHBondContact N-OD2 3.14Å; D132-N134 WeakPolarHBondContact OD1-CB 3.32Å; D132-N134 PolarHBondContact OD1-N 3.01Å; D132-C137 HydrophobicContact CB-CB 3.57Å; D132-V138 HydrophobicContact CB-CG2 4.03Å; D132-V138 WeakPolarHBondContact O-CG2 3.15Å; D132-I141 HydrophobicContact CB-CD1 4.37Å; D132-D161 PolarHBondContact N-O 2.89Å; D132-R162 CarbonylContact O-C 3.51Å; D132-R162 VanDerWaalsContact O-CA 3.29Å; D132-R162 WeakPolarHBondContact O-CA 3.45Å; D132-L163 CarbonylContact C-O 3.07Å; D132-L163 PolarHBondContact O-N 3.48Å
133	G	91.7	Very high	93.6	Very high	26 Å²	26	32.5 Å²	32.5	27%	0.268	18%	0.176	S	C	.	.	S	Bend	trans	-76.2	-26	176.7	0	0	0	0	0	113.2	R162 L163	G133-R162 PolarHBondContact O-NE 3.21Å; G133-L163 WeakPolarHBondContact CA-O 2.95Å; G133-L163 PolarHBondContact N-O 3.48Å
134	N	86.6	Confident	93.3	Very high	32 Å²	32	31.4 Å²	31.4	17%	0.171	17%	0.165	C	C	.	.	S	Bend	trans	-88.3	119.2	-178.3	-173.6	-23.9	0	0	0	110.8	N75 N78 D132 K136 C137 V138	N75-N134 PolarHBondContact OD1-ND2 2.65Å; N78-N134 PolarHBondContact ND2-ND2 3.25Å; D132-N134 WeakPolarHBondContact OD1-CB 3.32Å; D132-N134 PolarHBondContact OD1-N 3.01Å; N134-K136 PolarHBondContact O-N 3.12Å; N134-K136 VanDerWaalsContact O-N 3.1Å; N134-K136 WeakPolarHBondContact OD1-CB 3.19Å; N134-K136 PolarHBondContact OD1-N 2.81Å; N134-C137 HydrophobicContact CB-CB 4.19Å; N134-C137 WeakPolarHBondContact O-CB 3.49Å; N134-C137 PolarHBondContact O-N 2.91Å; N134-V138 WeakPolarHBondContact O-CG2 3.21Å; N134-V138 PolarHBondContact O-N 3.05Å
135	P	89.3	Confident	93.1	Very high	77 Å²	77	31.7 Å²	31.7	50%	0.5	17%	0.165	S	C	.	.	H	α-helix	trans	-56.1	-27.8	178.3	-24	32.5	0	0	0	114.7	A139	P135-A139 WeakPolarHBondContact O-CB 3.29Å; P135-A139 PolarHBondContact O-N 2.84Å
136	K	84	Confident	92.9	Very high	92 Å²	92	35.5 Å²	35.5	40%	0.4	19%	0.188	S	C	.	.	H	α-helix	trans	-72	-44.2	178	-66.6	-169.3	169.8	-168.2	0	112.1	D69 N134 V138 A139 N140	D69-K136 IonicContact OD1-NZ 3.65Å; D69-K136 PolarHBondContact OD1-NZ 2.76Å; D69-K136 IonicContact OD2-NZ 3.65Å; D69-K136 PolarHBondContact OD2-NZ 2.9Å; N134-K136 PolarHBondContact O-N 3.12Å; N134-K136 VanDerWaalsContact O-N 3.1Å; N134-K136 WeakPolarHBondContact OD1-CB 3.19Å; N134-K136 PolarHBondContact OD1-N 2.81Å; K136-V138 VanDerWaalsContact C-N 3.29Å; K136-V138 PolarHBondContact O-N 3.4Å; K136-A139 PolarHBondContact O-N 3.06Å; K136-N140 PolarHBondContact O-N 2.84Å
137	C	87.7	Confident	92.6	Very high	4 Å²	4	32.1 Å²	32.1	3%	0.027	18%	0.178	C	C	.	.	H	α-helix	trans	-52.3	-52	169.9	-67.4	0	0	0	0	110.1	N78 G110 D132 N134 A139 N140 I141	N78-C137 PolarHBondContact OD1-SG 3.01Å; G110-C137 WeakPolarHBondContact O-CB 3.22Å; D132-C137 HydrophobicContact CB-CB 3.57Å; N134-C137 HydrophobicContact CB-CB 4.19Å; N134-C137 WeakPolarHBondContact O-CB 3.49Å; N134-C137 PolarHBondContact O-N 2.91Å; C137-A139 VanDerWaalsContact C-N 3.31Å; C137-A139 PolarHBondContact O-N 2.8Å; C137-N140 PolarHBondContact O-N 3.5Å; C137-N140 VanDerWaalsContact O-N 3.09Å; C137-I141 VanDerWaalsContact O-CG1 3.28Å; C137-I141 WeakPolarHBondContact O-CG1 3.44Å; C137-I141 PolarHBondContact O-N 2.85Å
138	V	92.4	Very high	92.5	Very high	2 Å²	2	31 Å²	31	1%	0.012	17%	0.172	C	C	.	.	H	α-helix	trans	-60.4	-39.9	-179.3	179.7	0	0	0	0	112.2	D132 N134 K136 R142 R162	D132-V138 HydrophobicContact CB-CG2 4.03Å; D132-V138 WeakPolarHBondContact O-CG2 3.15Å; N134-V138 WeakPolarHBondContact O-CG2 3.21Å; N134-V138 PolarHBondContact O-N 3.05Å; K136-V138 VanDerWaalsContact C-N 3.29Å; K136-V138 PolarHBondContact O-N 3.4Å; V138-R142 WeakPolarHBondContact O-CG 3.41Å; V138-R142 PolarHBondContact O-N 3.16Å; V138-R162 HydrophobicContact CG2-CB 4.15Å
139	A	91.1	Very high	92.3	Very high	49 Å²	49	36.4 Å²	36.4	41%	0.405	20%	0.197	S	C	.	.	H	α-helix	trans	-63.7	-42.8	175.7	0	0	0	0	0	111.7	P135 K136 C137 R142 T143	P135-A139 WeakPolarHBondContact O-CB 3.29Å; P135-A139 PolarHBondContact O-N 2.84Å; K136-A139 PolarHBondContact O-N 3.06Å; C137-A139 VanDerWaalsContact C-N 3.31Å; C137-A139 PolarHBondContact O-N 2.8Å; A139-R142 WeakPolarHBondContact O-CB 3.43Å; A139-R142 PolarHBondContact O-N 3.37Å; A139-T143 PolarHBondContact O-N 3.33Å; A139-T143 VanDerWaalsContact O-N 3.12Å; A139-T143 PolarHBondContact O-OG1 2.76Å
140	N	87.4	Confident	92.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-70.6	-38.2	179.3	-166.3	75.6	0	0	0	113	T61 T63 M111 K136 C137 R142 T143 S144	T61-N140 PolarHBondContact O-ND2 3.39Å; T61-N140 PolarHBondContact O-OD1 3.14Å; T63-N140 PolarHBondContact N-OD1 2.84Å; M111-N140 HydrophobicContact CE-CB 3.65Å; M111-N140 VanDerWaalsContact CE-CG 3.44Å; M111-N140 PolarHBondContact O-ND2 2.75Å; M111-N140 HydrophobicContact SD-CB 3.56Å; M111-N140 VanDerWaalsContact SD-CB 3.56Å; K136-N140 PolarHBondContact O-N 2.84Å; C137-N140 PolarHBondContact O-N 3.5Å; C137-N140 VanDerWaalsContact O-N 3.09Å; N140-R142 VanDerWaalsContact C-N 3.29Å; N140-R142 PolarHBondContact O-N 2.97Å; N140-T143 PolarHBondContact O-N 2.94Å; N140-S144 WeakPolarHBondContact O-CB 2.8Å; N140-S144 PolarHBondContact O-N 3.16Å; N140-S144 PolarHBondContact O-OG 2.86Å
141	I	92.7	Very high	92.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-57.4	-45	170.9	-70	161.9	0	0	0	109.8	A109 G110 M111 I130 D132 C137 T143 S144 F145 C160	A109-I141 HydrophobicContact CB-CD1 3.86Å; G110-I141 WeakPolarHBondContact O-CD1 3.29Å; G110-I141 WeakPolarHBondContact O-CG1 3.31Å; M111-I141 PolarHBondContact O-N 2.8Å; I130-I141 HydrophobicContact CB-CG2 3.8Å; I130-I141 HydrophobicContact CD1-CG2 4.18Å; I130-I141 HydrophobicContact CG2-CD1 4.03Å; I130-I141 HydrophobicContact CG2-CG1 4.34Å; I130-I141 HydrophobicContact CG2-CG2 3.59Å; D132-I141 HydrophobicContact CB-CD1 4.37Å; C137-I141 VanDerWaalsContact O-CG1 3.28Å; C137-I141 WeakPolarHBondContact O-CG1 3.44Å; C137-I141 PolarHBondContact O-N 2.85Å; I141-T143 PolarHBondContact O-N 3.16Å; I141-S144 PolarHBondContact O-N 2.94Å; I141-F145 WeakPolarHBondContact O-CB 3.18Å; I141-F145 PolarHBondContact O-N 2.8Å; I141-C160 HydrophobicContact CG2-CB 4.03Å
142	R	94.8	Very high	92.1	Very high	116 Å²	116	46.9 Å²	46.9	44%	0.438	25%	0.253	S	S	.	.	H	α-helix	trans	-60.7	-45	177.6	-77.2	173	-174.5	151.2	2.6	112.1	V138 A139 N140 F145 V146 C160 D161	V138-R142 WeakPolarHBondContact O-CG 3.41Å; V138-R142 PolarHBondContact O-N 3.16Å; A139-R142 WeakPolarHBondContact O-CB 3.43Å; A139-R142 PolarHBondContact O-N 3.37Å; N140-R142 VanDerWaalsContact C-N 3.29Å; N140-R142 PolarHBondContact O-N 2.97Å; R142-F145 PolarHBondContact O-N 2.84Å; R142-V146 WeakPolarHBondContact O-CG2 3.08Å; R142-V146 PolarHBondContact O-N 3.27Å; R142-C160 HydrophobicContact CG-CB 3.42Å; R142-C160 VanDerWaalsContact CG-CB 3.42Å; R142-C160 PolarHBondContact NE-O 3.5Å; R142-C160 PolarHBondContact NH2-O 2.79Å; R142-D161 IonicContact NH2-OD1 3.98Å
143	T	92.1	Very high	92.3	Very high	61 Å²	61	48.4 Å²	48.4	37%	0.374	26%	0.264	S	S	.	.	H	α-helix	trans	-61.2	-47.2	176.3	-51.4	0	0	0	0	110.9	T61 A139 N140 I141 F145 V146 E147	T61-T143 HydrophobicContact CG2-CG2 4.2Å; T61-T143 VanDerWaalsContact OG1-CG2 3.29Å; T61-T143 WeakPolarHBondContact OG1-CG2 3.14Å; A139-T143 PolarHBondContact O-N 3.33Å; A139-T143 VanDerWaalsContact O-N 3.12Å; A139-T143 PolarHBondContact O-OG1 2.76Å; N140-T143 PolarHBondContact O-N 2.94Å; I141-T143 PolarHBondContact O-N 3.16Å; T143-F145 VanDerWaalsContact C-N 3.33Å; T143-F145 PolarHBondContact O-N 2.99Å; T143-V146 PolarHBondContact O-N 2.99Å; T143-V146 VanDerWaalsContact O-N 3.16Å; T143-E147 PolarHBondContact O-N 3.24Å; T143-E147 VanDerWaalsContact O-N 3.09Å
144	S	92	Very high	92.6	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-61.7	-39.9	177.9	-56.6	0	0	0	0	112	Y60 T61 N140 I141 E147 N148	Y60-S144 WeakPolarHBondContact CA-OG 3.44Å; T61-S144 PolarHBondContact N-OG 2.79Å; N140-S144 WeakPolarHBondContact O-CB 2.8Å; N140-S144 PolarHBondContact O-N 3.16Å; N140-S144 PolarHBondContact O-OG 2.86Å; I141-S144 PolarHBondContact O-N 2.94Å; S144-E147 PolarHBondContact O-N 3.07Å; S144-N148 PolarHBondContact O-N 3.13Å; S144-N148 PolarHBondContact O-ND2 2.91Å
145	F	94.5	Very high	93	Very high	36 Å²	36	56.6 Å²	56.6	16%	0.158	31%	0.313	C	S	.	.	H	α-helix	trans	-61.4	-45.7	173.5	166.5	-108.2	0	0	0	111.9	I141 R142 T143 E147 N148 Q149 I152 V158	I141-F145 WeakPolarHBondContact O-CB 3.18Å; I141-F145 PolarHBondContact O-N 2.8Å; R142-F145 PolarHBondContact O-N 2.84Å; T143-F145 VanDerWaalsContact C-N 3.33Å; T143-F145 PolarHBondContact O-N 2.99Å; F145-E147 VanDerWaalsContact C-N 3.29Å; F145-E147 PolarHBondContact O-N 2.98Å; F145-N148 CarbonylContact O-C 3.56Å; F145-N148 PolarHBondContact O-N 2.79Å; F145-Q149 HydrophobicContact CZ-CG 4.4Å; F145-Q149 PolarHBondContact O-N 3.5Å; F145-I152 HydrophobicContact CD2-CD1 3.72Å; F145-I152 HydrophobicContact CE2-CD1 3.55Å; F145-V158 HydrophobicContact CD2-CB 3.86Å; F145-V158 HydrophobicContact CD2-CG1 3.69Å; F145-V158 HydrophobicContact CD2-CG2 4.11Å; F145-V158 HydrophobicContact CE2-CB 3.4Å; F145-V158 HydrophobicContact CE2-CG1 3.8Å; F145-V158 HydrophobicContact CE2-CG2 3.57Å; F145-V158 HydrophobicContact CG-CG1 4.27Å; F145-V158 HydrophobicContact CZ-CB 3.86Å; F145-V158 HydrophobicContact CZ-CG1 4.44Å; F145-V158 HydrophobicContact CZ-CG2 4.36Å
146	V	94.2	Very high	93.5	Very high	82 Å²	82	53.5 Å²	53.5	50%	0.497	29%	0.293	S	S	.	.	H	α-helix	trans	-59.1	-40.4	178.1	169.1	0	0	0	0	111.4	R142 T143 N148 Q149	R142-V146 WeakPolarHBondContact O-CG2 3.08Å; R142-V146 PolarHBondContact O-N 3.27Å; T143-V146 PolarHBondContact O-N 2.99Å; T143-V146 VanDerWaalsContact O-N 3.16Å; V146-N148 PolarHBondContact O-N 3.16Å; V146-Q149 WeakPolarHBondContact O-CB 3.28Å; V146-Q149 PolarHBondContact O-N 3.07Å
147	E	92.1	Very high	94.1	Very high	53 Å²	53	52.9 Å²	52.9	25%	0.248	30%	0.297	C	S	.	.	H	α-helix	trans	-62.7	-27.2	175.5	-69.7	-61.7	142.5	0	0	113.5	V48 R59 T143 S144 F145 R151	V48-E147 HydrophobicContact CG1-CG 4.49Å; V48-E147 HydrophobicContact CG2-CG 4.44Å; R59-E147 HydrophobicContact CB-CB 3.86Å; T143-E147 PolarHBondContact O-N 3.24Å; T143-E147 VanDerWaalsContact O-N 3.09Å; S144-E147 PolarHBondContact O-N 3.07Å; F145-E147 VanDerWaalsContact C-N 3.29Å; F145-E147 PolarHBondContact O-N 2.98Å; E147-R151 PolarHBondContact O-NH1 2.72Å
148	N	94.8	Very high	94.6	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-97.6	-12.2	177.7	-67.6	-72.9	0	0	0	114	V58 R59 V121 S144 F145 V146 P150 R151 I152	V58-N148 WeakPolarHBondContact CA-OD1 3.36Å; R59-N148 PolarHBondContact N-ND2 2.97Å; R59-N148 PolarHBondContact N-OD1 3.31Å; R59-N148 PolarHBondContact O-ND2 3.01Å; V121-N148 HydrophobicContact CG2-CB 4.14Å; S144-N148 PolarHBondContact O-N 3.13Å; S144-N148 PolarHBondContact O-ND2 2.91Å; F145-N148 CarbonylContact O-C 3.56Å; F145-N148 PolarHBondContact O-N 2.79Å; V146-N148 PolarHBondContact O-N 3.16Å; N148-P150 VanDerWaalsContact C-N 3.28Å; N148-P150 VanDerWaalsContact O-N 3.11Å; N148-R151 WeakPolarHBondContact O-CA 3.33Å; N148-R151 WeakPolarHBondContact O-CB 3.15Å; N148-R151 PolarHBondContact O-N 2.84Å; N148-I152 HydrophobicContact CB-CD1 4.01Å; N148-I152 HydrophobicContact CB-CG1 4.41Å; N148-I152 WeakPolarHBondContact O-CG1 3.13Å; N148-I152 PolarHBondContact O-N 3.32Å
149	Q	95.8	Very high	94.9	Very high	113 Å²	113	56.5 Å²	56.5	53%	0.528	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-50.1	-41	-175.2	-171.3	-178.6	25.3	0	0	113.4	F145 V146 R151 I152	F145-Q149 HydrophobicContact CZ-CG 4.4Å; F145-Q149 PolarHBondContact O-N 3.5Å; V146-Q149 WeakPolarHBondContact O-CB 3.28Å; V146-Q149 PolarHBondContact O-N 3.07Å; Q149-R151 PolarHBondContact O-N 3.39Å; Q149-I152 PolarHBondContact O-N 3.05Å
150	P	95.6	Very high	95.1	Very high	113 Å²	113	54.9 Å²	54.9	73%	0.734	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-65.6	-16.8	176.7	-22.4	35.1	0	0	0	115.3	N148	N148-P150 VanDerWaalsContact C-N 3.28Å; N148-P150 VanDerWaalsContact O-N 3.11Å
151	R	95.3	Very high	95.5	Very high	87 Å²	87	56.8 Å²	56.8	33%	0.328	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-97.5	-13.1	179.7	-62.1	169.1	174.8	65.1	7.9	112.9	E57 V121 E147 N148 Q149	E57-R151 IonicContact OE1-CZ 3.6Å; E57-R151 IonicContact OE1-NE 3.58Å; E57-R151 IonicContact OE1-NH2 3.01Å; E57-R151 PolarHBondContact OE1-NH2 3.09Å; V121-R151 HydrophobicContact CG1-CB 4.24Å; V121-R151 HydrophobicContact CG2-CB 4.18Å; E147-R151 PolarHBondContact O-NH1 2.72Å; N148-R151 WeakPolarHBondContact O-CA 3.33Å; N148-R151 WeakPolarHBondContact O-CB 3.15Å; N148-R151 PolarHBondContact O-N 2.84Å; Q149-R151 PolarHBondContact O-N 3.39Å
152	I	97.2	Very high	95.6	Very high	21 Å²	21	62.1 Å²	62.1	11%	0.108	33%	0.332	C	S	.	.	S	Bend	trans	-89.4	123.3	-175.5	-66.5	168.1	0	0	0	108.5	A120 V121 F145 N148 Q149 V156	A120-I152 HydrophobicContact CB-CD1 3.78Å; A120-I152 HydrophobicContact CB-CG1 3.98Å; A120-I152 HydrophobicContact CB-CG2 4.38Å; V121-I152 HydrophobicContact CG2-CG1 4.02Å; F145-I152 HydrophobicContact CD2-CD1 3.72Å; F145-I152 HydrophobicContact CE2-CD1 3.55Å; N148-I152 HydrophobicContact CB-CD1 4.01Å; N148-I152 HydrophobicContact CB-CG1 4.41Å; N148-I152 WeakPolarHBondContact O-CG1 3.13Å; N148-I152 PolarHBondContact O-N 3.32Å; Q149-I152 PolarHBondContact O-N 3.05Å; I152-V156 HydrophobicContact CG2-CB 3.8Å; I152-V156 HydrophobicContact CG2-CG1 4.24Å; I152-V156 HydrophobicContact CG2-CG2 4.32Å
153	P	97.4	Very high	95.6	Very high	53 Å²	53	56.6 Å²	56.6	34%	0.344	31%	0.311	S	S	.	.			trans	-57.5	143.7	174.8	-27.1	37.5	0	0	0	112.3	S155 V156	P153-S155 PolarHBondContact O-N 3.32Å; P153-V156 PolarHBondContact O-N 3.01Å
154	T	96.8	Very high	95.7	Very high	152 Å²	152	55.8 Å²	55.8	93%	0.933	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-13.1	-179.1	52.7	0	0	0	0	114.1	V156	T154-V156 PolarHBondContact O-N 2.88Å
155	S	96.6	Very high	95.8	Very high	77 Å²	77	58 Å²	58	54%	0.538	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-14.6	172.2	53.3	0	0	0	0	113.8	P153	P153-S155 PolarHBondContact O-N 3.32Å
156	V	98.4	Very high	95.6	Very high	12 Å²	12	58.1 Å²	58.1	7%	0.073	33%	0.326	C	S	.	.			trans	-100.3	113.9	-179.4	-172.7	0	0	0	0	110.1	A120 P125 I152 P153 T154 V158	A120-V156 HydrophobicContact CB-CG1 4.45Å; P125-V156 HydrophobicContact CG-CG1 4.13Å; P125-V156 WeakPolarHBondContact O-CG2 3.37Å; I152-V156 HydrophobicContact CG2-CB 3.8Å; I152-V156 HydrophobicContact CG2-CG1 4.24Å; I152-V156 HydrophobicContact CG2-CG2 4.32Å; P153-V156 PolarHBondContact O-N 3.01Å; T154-V156 PolarHBondContact O-N 2.88Å; V156-V158 HydrophobicContact CG1-CG2 3.9Å
157	T	98.1	Very high	95.3	Very high	79 Å²	79	57 Å²	57	49%	0.485	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	122.6	168.1	-62	0	0	0	0	109.6	R126 L127 L128	R126-T157 PolarHBondContact O-N 2.78Å; L127-T157 CarbonylContact C-O 3.39Å; L127-T157 WeakPolarHBondContact CA-O 3.5Å; L127-T157 HydrophobicContact CD1-CG2 3.85Å; L128-T157 PolarHBondContact N-O 2.78Å
158	V	98.1	Very high	94.6	Very high	24 Å²	24	59.9 Å²	59.9	15%	0.145	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	133.3	175.8	-174.1	0	0	0	0	110.6	A120 L128 I130 F145 V156	A120-V158 HydrophobicContact CB-CG2 4.09Å; L128-V158 HydrophobicContact CB-CG2 4.4Å; L128-V158 CarbonylContact O-C 3.57Å; L128-V158 VanDerWaalsContact O-CA 3.31Å; L128-V158 WeakPolarHBondContact O-CA 3.33Å; I130-V158 HydrophobicContact CD1-CG1 3.89Å; I130-V158 HydrophobicContact CG1-CG1 4.15Å; F145-V158 HydrophobicContact CD2-CB 3.86Å; F145-V158 HydrophobicContact CD2-CG1 3.69Å; F145-V158 HydrophobicContact CD2-CG2 4.11Å; F145-V158 HydrophobicContact CE2-CB 3.4Å; F145-V158 HydrophobicContact CE2-CG1 3.8Å; F145-V158 HydrophobicContact CE2-CG2 3.57Å; F145-V158 HydrophobicContact CG-CG1 4.27Å; F145-V158 HydrophobicContact CZ-CB 3.86Å; F145-V158 HydrophobicContact CZ-CG1 4.44Å; F145-V158 HydrophobicContact CZ-CG2 4.36Å; V156-V158 HydrophobicContact CG1-CG2 3.9Å
159	I	97	Very high	93.9	Very high	59 Å²	59	63.1 Å²	63.1	30%	0.303	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	126	175.3	-59.1	177	0	0	0	107.8	L127 L128 A129 I130 D161 F174	L127-I159 HydrophobicContact CD1-CD1 3.82Å; L127-I159 HydrophobicContact CD1-CG1 4.16Å; L128-I159 PolarHBondContact O-N 3.47Å; A129-I159 CarbonylContact C-O 3.57Å; A129-I159 WeakPolarHBondContact CA-O 3.29Å; I130-I159 PolarHBondContact N-O 3.29Å; I159-D161 HydrophobicContact CG2-CB 4.19Å; I159-F174 HydrophobicContact CG2-CE1 4.45Å; I159-F174 HydrophobicContact CG2-CZ 4.23Å
160	C	96.9	Very high	93	Very high	15 Å²	15	60 Å²	60	10%	0.101	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	111.8	175.1	-58.2	0	0	0	0	109	I130 I141 R142	I130-C160 WeakPolarHBondContact O-CA 3.38Å; I141-C160 HydrophobicContact CG2-CB 4.03Å; R142-C160 HydrophobicContact CG-CB 3.42Å; R142-C160 VanDerWaalsContact CG-CB 3.42Å; R142-C160 PolarHBondContact NE-O 3.5Å; R142-C160 PolarHBondContact NH2-O 2.79Å
161	D	95.5	Very high	92.4	Very high	39 Å²	39	54.8 Å²	54.8	21%	0.209	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	157.3	-168.4	-145.9	-18.8	0	0	0	114.9	I130 T131 D132 R142 I159 K173 F174	I130-D161 PolarHBondContact O-N 3.14Å; I130-D161 VanDerWaalsContact O-N 3.13Å; T131-D161 VanDerWaalsContact CA-O 3.27Å; T131-D161 WeakPolarHBondContact CA-O 3.32Å; T131-D161 WeakPolarHBondContact CB-O 3.45Å; D132-D161 PolarHBondContact N-O 2.89Å; R142-D161 IonicContact NH2-OD1 3.98Å; I159-D161 HydrophobicContact CG2-CB 4.19Å; D161-K173 IonicContact OD1-NZ 3.91Å; D161-K173 WeakPolarHBondContact OD2-CE 3.47Å; D161-K173 IonicContact OD2-NZ 3.57Å; D161-K173 PolarHBondContact OD2-NZ 3Å; D161-F174 HydrophobicContact CB-CE2 4.47Å; D161-F174 HydrophobicContact CB-CZ 4.22Å
162	R	94.7	Very high	92	Very high	112 Å²	112	55.9 Å²	55.9	42%	0.423	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	127	175.2	-172.1	-176.6	177	-138.5	-1.5	110.3	D132 G133 V138 V164	D132-R162 CarbonylContact O-C 3.51Å; D132-R162 VanDerWaalsContact O-CA 3.29Å; D132-R162 WeakPolarHBondContact O-CA 3.45Å; G133-R162 PolarHBondContact O-NE 3.21Å; V138-R162 HydrophobicContact CG2-CB 4.15Å; R162-V164 HydrophobicContact CG-CG2 4.46Å
163	L	94.8	Very high	91.6	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.005	35%	0.349	C	S	.	.			trans	-137.2	107.5	176.9	-167	162.2	0	0	0	109.3	L107 T131 D132 G133 L171 F174 T199 L203	L107-L163 HydrophobicContact CD2-CD1 3.9Å; L107-L163 HydrophobicContact CD2-CD2 3.72Å; L107-L163 HydrophobicContact CD2-CG 4.38Å; T131-L163 HydrophobicContact CG2-CB 4.18Å; T131-L163 HydrophobicContact CG2-CD1 4.13Å; D132-L163 CarbonylContact C-O 3.07Å; D132-L163 PolarHBondContact O-N 3.48Å; G133-L163 WeakPolarHBondContact CA-O 2.95Å; G133-L163 PolarHBondContact N-O 3.48Å; L163-L171 HydrophobicContact CD1-CD2 3.96Å; L163-L171 HydrophobicContact CD2-CD2 3.78Å; L163-L171 HydrophobicContact CG-CD2 3.84Å; L163-F174 HydrophobicContact CD1-CD2 3.97Å; L163-F174 HydrophobicContact CD1-CE2 4.26Å; L163-T199 HydrophobicContact CD2-CG2 3.7Å; L163-L203 HydrophobicContact CD1-CD1 4.14Å; L163-L203 HydrophobicContact CD1-CD2 4.2Å
164	V	93.4	Very high	91.3	Very high	44 Å²	44	58.1 Å²	58.1	27%	0.267	34%	0.335	S	S	.	.			trans	-93.5	120.2	175	-177.4	0	0	0	0	108.7	R162 G166 T167	R162-V164 HydrophobicContact CG-CG2 4.46Å; V164-G166 PolarHBondContact O-N 3.26Å; V164-T167 WeakPolarHBondContact O-CB 3.47Å; V164-T167 PolarHBondContact O-N 2.97Å; V164-T167 PolarHBondContact O-OG1 2.83Å
165	W	94	Very high	91.2	Very high	46 Å²	46	55 Å²	55	17%	0.174	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	134.8	-177.2	-50.4	-26.9	0	0	0	111.6	T167 C186 F192 K195 L196 T199	W165-T167 VanDerWaalsContact C-N 3.35Å; W165-C186 HydrophobicContact CH2-CB 3.57Å; W165-C186 HydrophobicContact CZ2-CB 4.01Å; W165-C186 HydrophobicContact CZ3-CB 4.48Å; W165-F192 HydrophobicContact CE3-CB 4.03Å; W165-F192 HydrophobicContact CZ3-CB 4.2Å; W165-K195 HydrophobicContact CB-CB 4.22Å; W165-L196 HydrophobicContact CD2-CB 4.29Å; W165-L196 HydrophobicContact CD2-CD1 3.81Å; W165-L196 HydrophobicContact CE3-CB 3.98Å; W165-L196 HydrophobicContact CE3-CD1 4.14Å; W165-L196 HydrophobicContact CE3-CD2 4.46Å; W165-L196 HydrophobicContact CE3-CG 4.42Å; W165-L196 HydrophobicContact CG-CD1 4.22Å; W165-L196 HydrophobicContact CH2-CD1 4.43Å; W165-L196 HydrophobicContact CH2-CD2 4.35Å; W165-L196 HydrophobicContact CZ2-CD1 4.11Å; W165-L196 HydrophobicContact CZ3-CB 4.47Å; W165-L196 HydrophobicContact CZ3-CD1 4.44Å; W165-L196 HydrophobicContact CZ3-CD2 4.18Å; W165-T199 WeakPolarHBondContact CA-OG1 3.26Å
166	G	90	Very high	91.2	Very high	39 Å²	39	55 Å²	55	40%	0.402	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.3	4.2	-178.9	0	0	0	0	0	115.6	V164 T199	V164-G166 PolarHBondContact O-N 3.26Å; G166-T199 PolarHBondContact N-OG1 2.78Å
167	T	88.4	Confident	91.1	Very high	59 Å²	59	58.5 Å²	58.5	36%	0.362	32%	0.318	S	S	.	.			trans	-99.8	97.3	179.7	-52	0	0	0	0	111.5	V164 W165 G169 N170 L171	V164-T167 WeakPolarHBondContact O-CB 3.47Å; V164-T167 PolarHBondContact O-N 2.97Å; V164-T167 PolarHBondContact O-OG1 2.83Å; W165-T167 VanDerWaalsContact C-N 3.35Å; T167-G169 VanDerWaalsContact C-N 3.32Å; T167-G169 PolarHBondContact O-N 2.97Å; T167-G169 VanDerWaalsContact O-N 3.17Å; T167-N170 VanDerWaalsContact CG2-OD1 3.28Å; T167-N170 WeakPolarHBondContact CG2-OD1 3.45Å; T167-N170 PolarHBondContact O-N 3.2Å; T167-L171 WeakPolarHBondContact O-CG 2.97Å
168	L	78.5	Confident	91.1	Very high	112 Å²	112	54.8 Å²	54.8	59%	0.586	30%	0.295	S	S	*	.	H	α-helix	trans	-50	-44.5	-173.5	-69.7	174.4	0	0	0	114.3	N170 L171 E172 L202	L168-N170 PolarHBondContact O-N 3.37Å; L168-L171 PolarHBondContact O-N 2.96Å; L168-E172 PolarHBondContact O-N 2.81Å; L168-L202 HydrophobicContact CD2-CD1 4.04Å
169	G	79.8	Confident	91.2	Very high	69 Å²	69	55 Å²	55	71%	0.711	30%	0.295	S	S	*	.	H	α-helix	trans	-60.1	-29.4	-178.6	0	0	0	0	0	114.2	T167 L171	T167-G169 VanDerWaalsContact C-N 3.32Å; T167-G169 PolarHBondContact O-N 2.97Å; T167-G169 VanDerWaalsContact O-N 3.17Å; G169-L171 VanDerWaalsContact C-N 3.34Å
170	N	76.2	Confident	91.3	Very high	48 Å²	48	52.3 Å²	52.3	26%	0.257	28%	0.281	S	S	.	.	H	α-helix	trans	-78.5	-20.5	175.3	-66.8	120.8	0	0	0	113	T167 L168	T167-N170 VanDerWaalsContact CG2-OD1 3.28Å; T167-N170 WeakPolarHBondContact CG2-OD1 3.45Å; T167-N170 PolarHBondContact O-N 3.2Å; L168-N170 PolarHBondContact O-N 3.37Å
171	L	83.5	Confident	91.3	Very high	3 Å²	3	51.6 Å²	51.6	2%	0.016	28%	0.277	C	S	.	.	H	α-helix	trans	-95.1	-24.1	-169.7	-60.8	176.1	0	0	0	113.6	L163 T167 L168 G169 K173 F174 K175 T199 L202 L203	L163-L171 HydrophobicContact CD1-CD2 3.96Å; L163-L171 HydrophobicContact CD2-CD2 3.78Å; L163-L171 HydrophobicContact CG-CD2 3.84Å; T167-L171 WeakPolarHBondContact O-CG 2.97Å; L168-L171 PolarHBondContact O-N 2.96Å; G169-L171 VanDerWaalsContact C-N 3.34Å; L171-K173 VanDerWaalsContact C-N 3.28Å; L171-K173 PolarHBondContact O-N 2.93Å; L171-F174 CarbonylContact O-C 3.58Å; L171-F174 WeakPolarHBondContact O-CA 3.43Å; L171-F174 PolarHBondContact O-N 3.37Å; L171-K175 PolarHBondContact O-N 2.74Å; L171-T199 HydrophobicContact CD2-CG2 3.87Å; L171-L202 HydrophobicContact CD1-CD1 3.72Å; L171-L203 HydrophobicContact CD2-CD2 4.19Å
172	E	86.1	Confident	91.5	Very high	109 Å²	109	49.8 Å²	49.8	51%	0.509	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-55	-40.7	-174.3	-74.1	-58.4	140	0	0	113.4	L168 F174 K175	L168-E172 PolarHBondContact O-N 2.81Å; E172-F174 PolarHBondContact O-N 3.37Å; E172-K175 WeakPolarHBondContact O-CB 3.38Å; E172-K175 PolarHBondContact O-N 2.9Å
173	K	88.6	Confident	91.5	Very high	112 Å²	112	44.5 Å²	44.5	49%	0.487	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-66.4	-19.8	176.5	66.9	-176.2	172.8	-170	0	114.3	D161 L171	D161-K173 IonicContact OD1-NZ 3.91Å; D161-K173 WeakPolarHBondContact OD2-CE 3.47Å; D161-K173 IonicContact OD2-NZ 3.57Å; D161-K173 PolarHBondContact OD2-NZ 3Å; L171-K173 VanDerWaalsContact C-N 3.28Å; L171-K173 PolarHBondContact O-N 2.93Å
174	F	92.1	Very high	91.2	Very high	9 Å²	9	45 Å²	45	4%	0.039	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-109.7	-0.7	-175.6	-73	-47.3	0	0	0	113	A129 I159 D161 L163 L171 E172 N176 Q177 F178 L203	A129-F174 HydrophobicContact CB-CE1 4.1Å; A129-F174 HydrophobicContact CB-CZ 4.46Å; I159-F174 HydrophobicContact CG2-CE1 4.45Å; I159-F174 HydrophobicContact CG2-CZ 4.23Å; D161-F174 HydrophobicContact CB-CE2 4.47Å; D161-F174 HydrophobicContact CB-CZ 4.22Å; L163-F174 HydrophobicContact CD1-CD2 3.97Å; L163-F174 HydrophobicContact CD1-CE2 4.26Å; L171-F174 CarbonylContact O-C 3.58Å; L171-F174 WeakPolarHBondContact O-CA 3.43Å; L171-F174 PolarHBondContact O-N 3.37Å; E172-F174 PolarHBondContact O-N 3.37Å; F174-N176 PolarHBondContact O-N 2.91Å; F174-Q177 WeakPolarHBondContact O-CB 3.14Å; F174-Q177 WeakPolarHBondContact O-CG 3.27Å; F174-Q177 PolarHBondContact O-N 2.81Å; F174-F178 HydrophobicContact CB-CE2 3.9Å; F174-F178 AromaticContact CD1-CE2 3.73Å; F174-F178 HydrophobicContact CD1-CE2 3.73Å; F174-F178 AromaticContact CD1-CZ 3.61Å; F174-F178 HydrophobicContact CD1-CZ 3.61Å; F174-F178 HydrophobicContact CE1-CZ 4.09Å; F174-F178 HydrophobicContact CG-CE2 4.07Å; F174-F178 HydrophobicContact CG-CZ 4.37Å; F174-L203 HydrophobicContact CB-CD2 3.32Å; F174-L203 HydrophobicContact CG-CD2 4.24Å
175	K	94.7	Very high	90.8	Very high	87 Å²	87	44 Å²	44	38%	0.378	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	128.5	-175.8	-173.3	176.6	-177.1	172.6	0	111.5	L171 E172 Q177 L202	L171-K175 PolarHBondContact O-N 2.74Å; E172-K175 WeakPolarHBondContact O-CB 3.38Å; E172-K175 PolarHBondContact O-N 2.9Å; K175-Q177 PolarHBondContact O-N 2.82Å; K175-Q177 VanDerWaalsContact O-N 3.13Å; K175-Q177 PolarHBondContact O-NE2 3.25Å; K175-L202 CarbonylContact C-O 3.56Å; K175-L202 VanDerWaalsContact CA-O 3.29Å; K175-L202 WeakPolarHBondContact CA-O 3.42Å
176	N	96.6	Very high	90.6	Very high	77 Å²	77	42.5 Å²	42.5	41%	0.412	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	29.4	-179.2	-55.1	-43.1	0	0	0	114	F174 L202 L203 L204 R205	F174-N176 PolarHBondContact O-N 2.91Å; N176-L202 PolarHBondContact N-O 3.23Å; N176-L203 CarbonylContact C-O 3.5Å; N176-L204 WeakPolarHBondContact CA-O 3.43Å; N176-L204 PolarHBondContact OD1-O 2.98Å; N176-R205 WeakPolarHBondContact O-CG 3.35Å
177	Q	96.9	Very high	90.4	Very high	86 Å²	86	40.9 Å²	40.9	40%	0.402	22%	0.223	S	C	.	.			trans	-90.9	-24.4	-174.7	-69.3	-57.5	-49.7	0	0	113.4	A103 F174 K175 L203 R205	A103-Q177 VanDerWaalsContact CB-O 3.24Å; A103-Q177 WeakPolarHBondContact CB-O 3.43Å; F174-Q177 WeakPolarHBondContact O-CB 3.14Å; F174-Q177 WeakPolarHBondContact O-CG 3.27Å; F174-Q177 PolarHBondContact O-N 2.81Å; K175-Q177 PolarHBondContact O-N 2.82Å; K175-Q177 VanDerWaalsContact O-N 3.13Å; K175-Q177 PolarHBondContact O-NE2 3.25Å; Q177-L203 PolarHBondContact N-O 2.78Å; Q177-L203 VanDerWaalsContact N-O 3.08Å; Q177-R205 VanDerWaalsContact O-CZ 3.26Å; Q177-R205 PolarHBondContact O-NE 3.03Å; Q177-R205 VanDerWaalsContact O-NE 3.16Å; Q177-R205 PolarHBondContact O-NH2 3.11Å
178	F	98.5	Very high	90	Very high	1 Å²	1	40.6 Å²	40.6	0%	0.004	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	135.5	-163.5	-58.7	-74.6	0	0	0	113.6	A103 V104 C105 L127 A129 F174 V181 L203 L204 R205	A103-F178 HydrophobicContact CB-CD1 4.06Å; A103-F178 CarbonylContact O-C 3.52Å; V104-F178 WeakPolarHBondContact O-CD1 3.08Å; V104-F178 WeakPolarHBondContact O-CE1 3.31Å; C105-F178 HydrophobicContact CB-CB 4.34Å; C105-F178 HydrophobicContact CB-CD1 3.61Å; C105-F178 HydrophobicContact CB-CD2 3.63Å; C105-F178 HydrophobicContact CB-CE1 3.68Å; C105-F178 HydrophobicContact CB-CE2 3.68Å; C105-F178 HydrophobicContact CB-CG 3.57Å; C105-F178 HydrophobicContact CB-CZ 3.72Å; L127-F178 HydrophobicContact CD2-CE1 4.16Å; L127-F178 HydrophobicContact CG-CE1 4.43Å; A129-F178 HydrophobicContact CB-CE1 3.69Å; A129-F178 HydrophobicContact CB-CZ 3.48Å; A129-F178 VanDerWaalsContact CB-CZ 3.48Å; F174-F178 HydrophobicContact CB-CE2 3.9Å; F174-F178 AromaticContact CD1-CE2 3.73Å; F174-F178 HydrophobicContact CD1-CE2 3.73Å; F174-F178 AromaticContact CD1-CZ 3.61Å; F174-F178 HydrophobicContact CD1-CZ 3.61Å; F174-F178 HydrophobicContact CE1-CZ 4.09Å; F174-F178 HydrophobicContact CG-CE2 4.07Å; F174-F178 HydrophobicContact CG-CZ 4.37Å; F178-V181 HydrophobicContact CB-CG2 4.31Å; F178-L203 HydrophobicContact CD2-CB 4.03Å; F178-L203 HydrophobicContact CD2-CD2 4.31Å; F178-L203 HydrophobicContact CE2-CD2 4.12Å; F178-L203 PolarHBondContact N-O 3.16Å; F178-L204 WeakPolarHBondContact O-CA 3.08Å; F178-R205 PolarHBondContact O-N 3.09Å
179	D	98.6	Very high	90.1	Very high	29 Å²	29	38.3 Å²	38.3	16%	0.155	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	-33.1	169.8	-58.4	-67.6	0	0	0	110.6	K102 A103 R205 G208 R209	K102-D179 HydrophobicContact CB-CB 4.15Å; K102-D179 HydrophobicContact CD-CB 4.03Å; K102-D179 HydrophobicContact CG-CB 4.39Å; A103-D179 PolarHBondContact N-OD2 2.9Å; A103-D179 PolarHBondContact O-N 2.92Å; D179-R205 IonicContact OD1-CZ 3.72Å; D179-R205 IonicContact OD1-NE 3.73Å; D179-R205 IonicContact OD1-NH1 2.54Å; D179-R205 PolarHBondContact OD1-NH1 2.94Å; D179-R205 IonicContact OD2-CZ 2.8Å; D179-R205 IonicContact OD2-NH1 2.91Å; D179-R205 PolarHBondContact OD2-NH1 3.02Å; D179-R205 IonicContact OD2-NH2 3.63Å; D179-G208 CarbonylContact O-C 3.44Å; D179-G208 WeakPolarHBondContact O-CA 3.27Å; D179-R209 PolarHBondContact O-N 3.48Å
180	I	98.7	Very high	90.4	Very high	2 Å²	2	38 Å²	38	1%	0.01	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	131.9	-179	-60.2	174.5	0	0	0	110.2	E98 F99 K102 A103 V104 C105 L182 R209 F211	E98-I180 VanDerWaalsContact O-CD1 3.28Å; E98-I180 WeakPolarHBondContact O-CD1 3.49Å; F99-I180 HydrophobicContact CD1-CD1 3.82Å; F99-I180 HydrophobicContact CE1-CD1 3.91Å; F99-I180 HydrophobicContact CE1-CG2 4.14Å; F99-I180 HydrophobicContact CG-CD1 4.49Å; K102-I180 HydrophobicContact CG-CD1 4.43Å; A103-I180 PolarHBondContact O-N 2.86Å; A103-I180 VanDerWaalsContact O-N 3.16Å; V104-I180 CarbonylContact C-O 3.5Å; V104-I180 VanDerWaalsContact CA-O 3.29Å; V104-I180 WeakPolarHBondContact CA-O 3.28Å; V104-I180 HydrophobicContact CG1-CB 4.32Å; V104-I180 HydrophobicContact CG1-CG2 4.32Å; V104-I180 HydrophobicContact CG2-CB 4.32Å; C105-I180 PolarHBondContact N-O 3.16Å; I180-L182 HydrophobicContact CG2-CD2 3.78Å; I180-L182 HydrophobicContact CG2-CG 4.09Å; I180-R209 CarbonylContact C-O 3.6Å; I180-R209 VanDerWaalsContact CA-O 3.26Å; I180-R209 WeakPolarHBondContact CA-O 3.29Å; I180-F211 HydrophobicContact CD1-CE2 4.38Å; I180-F211 HydrophobicContact CG1-CE2 4.41Å; I180-F211 HydrophobicContact CG2-CD2 3.68Å; I180-F211 HydrophobicContact CG2-CE2 3.94Å
181	V	98.6	Very high	91.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	129.1	165.2	172.9	0	0	0	0	108.9	C105 L107 F178 V200 L203 L204 R209 A210 F211	C105-V181 HydrophobicContact CB-CG2 4.32Å; C105-V181 CarbonylContact O-C 3.56Å; C105-V181 VanDerWaalsContact O-CA 3.28Å; C105-V181 WeakPolarHBondContact O-CA 3.49Å; L107-V181 HydrophobicContact CD1-CG1 3.65Å; L107-V181 HydrophobicContact CG-CG1 3.96Å; F178-V181 HydrophobicContact CB-CG2 4.31Å; V181-V200 HydrophobicContact CG1-CG1 4.49Å; V181-V200 HydrophobicContact CG1-CG2 4.17Å; V181-L203 HydrophobicContact CG2-CB 3.98Å; V181-L204 HydrophobicContact CB-CD2 4.03Å; V181-L204 HydrophobicContact CG2-CD2 3.55Å; V181-L204 HydrophobicContact CG2-CG 3.93Å; V181-R209 PolarHBondContact N-O 3.45Å; V181-A210 HydrophobicContact CB-CB 4.28Å; V181-A210 CarbonylContact O-C 3.56Å; V181-A210 VanDerWaalsContact O-CA 3.23Å; V181-A210 WeakPolarHBondContact O-CA 3.19Å; V181-F211 PolarHBondContact O-N 3.08Å
182	L	98.4	Very high	91.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	145.4	177.4	-62	179.6	0	0	0	109.9	M88 F99 V104 C105 E106 L107 L119 I180 F211	M88-L182 HydrophobicContact CE-CB 4.47Å; M88-L182 HydrophobicContact SD-CB 3.9Å; F99-L182 HydrophobicContact CE1-CD1 4.11Å; F99-L182 HydrophobicContact CE1-CD2 4.23Å; F99-L182 HydrophobicContact CZ-CD2 4.45Å; V104-L182 HydrophobicContact CG1-CD1 3.88Å; V104-L182 HydrophobicContact CG1-CG 4.07Å; C105-L182 PolarHBondContact O-N 3.26Å; E106-L182 WeakPolarHBondContact CA-O 3.4Å; E106-L182 HydrophobicContact CB-CB 4.4Å; E106-L182 HydrophobicContact CG-CB 4.33Å; L107-L182 PolarHBondContact N-O 3.13Å; L119-L182 HydrophobicContact CD1-CD1 3.89Å; I180-L182 HydrophobicContact CG2-CD2 3.78Å; I180-L182 HydrophobicContact CG2-CG 4.09Å; L182-F211 WeakPolarHBondContact CA-O 3.27Å; L182-F211 HydrophobicContact CD2-CB 3.95Å; L182-F211 HydrophobicContact CD2-CD2 4.06Å
183	A	95.8	Very high	92	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.008	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	130.7	168.9	0	0	0	0	0	110.1	L107 C186 F211 M212 L213	L107-A183 HydrophobicContact CB-CB 4.39Å; A183-C186 HydrophobicContact CB-CB 4.14Å; A183-F211 PolarHBondContact N-O 3.49Å; A183-M212 HydrophobicContact CB-CE 3.67Å; A183-M212 HydrophobicContact CB-CG 4.19Å; A183-M212 CarbonylContact O-C 3.59Å; A183-M212 VanDerWaalsContact O-CA 3.27Å; A183-M212 WeakPolarHBondContact O-CA 3.45Å; A183-L213 PolarHBondContact O-N 3.02Å
184	A	88.9	Confident	92.4	Very high	11 Å²	11	40.9 Å²	40.9	9%	0.091	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	133.3	171.4	0	0	0	0	0	109.7	E85 M88 C186 L213	E85-A184 HydrophobicContact CB-CB 4.39Å; M88-A184 HydrophobicContact CB-CB 4.37Å; M88-A184 HydrophobicContact CE-CB 3.57Å; M88-A184 HydrophobicContact SD-CB 3.93Å; A184-C186 PolarHBondContact O-N 2.72Å; A184-C186 PolarHBondContact O-SG 2.88Å; A184-L213 WeakPolarHBondContact CA-O 3.4Å
185	D	84.1	Confident	92.6	Very high	25 Å²	25	45.2 Å²	45.2	13%	0.134	22%	0.223	C	C	.	.	S	Bend	trans	55.1	26.4	172.5	-136.5	-15.4	0	0	0	116.3	L187 L213 R217	D185-L187 VanDerWaalsContact C-N 3.32Å; D185-L187 PolarHBondContact O-N 3.47Å; D185-L213 PolarHBondContact N-O 3.12Å; D185-R217 IonicContact OD1-CZ 3.03Å; D185-R217 IonicContact OD1-NE 3.91Å; D185-R217 PolarHBondContact OD1-NE 3.37Å; D185-R217 IonicContact OD1-NH2 2.56Å; D185-R217 PolarHBondContact OD1-NH2 3.3Å; D185-R217 IonicContact OD2-CZ 3.62Å; D185-R217 IonicContact OD2-NE 2.78Å; D185-R217 IonicContact OD2-NH2 2.83Å; D185-R217 PolarHBondContact OD2-NH2 3.48Å
186	C	89.2	Confident	92.7	Very high	14 Å²	14	41.1 Å²	41.1	10%	0.095	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	1.5	-177.5	-71.4	0	0	0	0	114.1	L107 W165 A183 A184 L196	L107-C186 PolarHBondContact O-SG 3.29Å; W165-C186 HydrophobicContact CH2-CB 3.57Å; W165-C186 HydrophobicContact CZ2-CB 4.01Å; W165-C186 HydrophobicContact CZ3-CB 4.48Å; A183-C186 HydrophobicContact CB-CB 4.14Å; A184-C186 PolarHBondContact O-N 2.72Å; A184-C186 PolarHBondContact O-SG 2.88Å; C186-L196 HydrophobicContact CB-CD2 3.89Å
187	L	86.5	Confident	92.7	Very high	5 Å²	5	37.6 Å²	37.6	3%	0.026	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	4.1	-169.9	-50.9	-169.3	0	0	0	113.9	D185 H193 L196 M212 A214 S220 L221 F224	D185-L187 VanDerWaalsContact C-N 3.32Å; D185-L187 PolarHBondContact O-N 3.47Å; L187-H193 PolarHBondContact O-NE2 3.23Å; L187-L196 HydrophobicContact CD2-CD2 3.87Å; L187-M212 HydrophobicContact CD2-CE 4.25Å; L187-M212 HydrophobicContact CD2-SD 4.5Å; L187-A214 HydrophobicContact CB-CB 4.1Å; L187-A214 HydrophobicContact CD1-CB 3.59Å; L187-A214 HydrophobicContact CG-CB 3.71Å; L187-S220 VanDerWaalsContact O-CB 3.28Å; L187-S220 WeakPolarHBondContact O-CB 3.38Å; L187-S220 PolarHBondContact O-OG 3.39Å; L187-L221 HydrophobicContact CD1-CD1 3.48Å; L187-L221 VanDerWaalsContact CD1-CD1 3.48Å; L187-F224 HydrophobicContact CD1-CB 4.17Å; L187-F224 HydrophobicContact CD1-CD1 3.78Å; L187-F224 HydrophobicContact CD1-CE1 4.35Å; L187-F224 HydrophobicContact CD1-CG 3.97Å; L187-F224 HydrophobicContact CD2-CB 4.45Å; L187-F224 HydrophobicContact CD2-CD1 3.8Å; L187-F224 HydrophobicContact CD2-CD2 3.59Å; L187-F224 HydrophobicContact CD2-CE1 3.83Å; L187-F224 HydrophobicContact CD2-CE2 3.62Å; L187-F224 HydrophobicContact CD2-CG 3.67Å; L187-F224 HydrophobicContact CD2-CZ 3.73Å; L187-F224 HydrophobicContact CG-CD1 4.44Å; L187-F224 HydrophobicContact CG-CG 4.34Å
188	F	79.3	Confident	92.7	Very high	53 Å²	53	37 Å²	37	23%	0.232	18%	0.183	C	C	.	.	S	Bend	trans	-65.4	-49	-175.8	177.5	-113.5	0	0	0	112.6	V190	F188-V190 PolarHBondContact O-N 3.01Å
189	F	82.3	Confident	92.6	Very high	63 Å²	63	37 Å²	37	28%	0.276	18%	0.183	S	C	.	.			trans	-86	103.7	-177.7	-63.1	-69.9	0	0	0	111.6	N74 D191 F192 H193	N74-F189 HydrophobicContact CB-CE2 4.29Å; N74-F189 HydrophobicContact CB-CZ 4.41Å; N74-F189 WeakPolarHBondContact OD1-CZ 3.41Å; F189-D191 PolarHBondContact O-N 3.04Å; F189-F192 HydrophobicContact CB-CD2 3.47Å; F189-F192 VanDerWaalsContact CB-CD2 3.47Å; F189-F192 HydrophobicContact CB-CE2 4.16Å; F189-F192 HydrophobicContact CB-CG 4.46Å; F189-F192 HydrophobicContact CD2-CD2 4.3Å; F189-F192 HydrophobicContact CG-CD2 4.03Å; F189-F192 HydrophobicContact CG-CE2 4.31Å; F189-F192 PolarHBondContact O-N 3.49Å; F189-H193 PolarHBondContact O-CD2 2.71Å; F189-H193 VanDerWaalsContact O-CD2 3.24Å
190	V	85.7	Confident	92.6	Very high	63 Å²	63	35.7 Å²	35.7	38%	0.382	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-57.7	-35.7	-178.8	-177.2	0	0	0	0	112.4	F188 F192 H193 K223	F188-V190 PolarHBondContact O-N 3.01Å; V190-F192 PolarHBondContact O-N 2.92Å; V190-F192 VanDerWaalsContact O-N 3.09Å; V190-H193 VanDerWaalsContact O-CB 3.31Å; V190-H193 WeakPolarHBondContact O-CB 3.38Å; V190-H193 VanDerWaalsContact O-CG 3.3Å; V190-H193 PolarHBondContact O-N 2.85Å; V190-K223 HydrophobicContact CG1-CD 4.3Å; V190-K223 HydrophobicContact CG2-CD 4.15Å
191	D	89.9	Confident	92.5	Very high	147 Å²	147	38.9 Å²	38.9	79%	0.786	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-64.2	-16.5	179.4	-61.8	-19	0	0	0	114.1	F189	F189-D191 PolarHBondContact O-N 3.04Å
192	F	92	Very high	92.4	Very high	69 Å²	69	40.7 Å²	40.7	30%	0.303	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-99.6	-3.9	176.2	-66.6	-70	0	0	0	113.5	W165 F189 V190 E194 K195 L196	W165-F192 HydrophobicContact CE3-CB 4.03Å; W165-F192 HydrophobicContact CZ3-CB 4.2Å; F189-F192 HydrophobicContact CB-CD2 3.47Å; F189-F192 VanDerWaalsContact CB-CD2 3.47Å; F189-F192 HydrophobicContact CB-CE2 4.16Å; F189-F192 HydrophobicContact CB-CG 4.46Å; F189-F192 HydrophobicContact CD2-CD2 4.3Å; F189-F192 HydrophobicContact CG-CD2 4.03Å; F189-F192 HydrophobicContact CG-CE2 4.31Å; F189-F192 PolarHBondContact O-N 3.49Å; V190-F192 PolarHBondContact O-N 2.92Å; V190-F192 VanDerWaalsContact O-N 3.09Å; F192-E194 PolarHBondContact O-N 3.05Å; F192-K195 HydrophobicContact CD1-CD 4.03Å; F192-K195 PolarHBondContact O-N 2.98Å; F192-L196 VanDerWaalsContact O-CB 3.3Å; F192-L196 WeakPolarHBondContact O-CB 3.44Å; F192-L196 PolarHBondContact O-N 3.37Å
193	H	95.7	Very high	92.3	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.019	20%	0.2	C	C	.	.	H	α-helix	trans	-58.2	-48.7	-175.2	-72.3	-175.2	0	0	0	112.8	L187 F189 V190 L196 L197 S220 F224 L227	L187-H193 PolarHBondContact O-NE2 3.23Å; F189-H193 PolarHBondContact O-CD2 2.71Å; F189-H193 VanDerWaalsContact O-CD2 3.24Å; V190-H193 VanDerWaalsContact O-CB 3.31Å; V190-H193 WeakPolarHBondContact O-CB 3.38Å; V190-H193 VanDerWaalsContact O-CG 3.3Å; V190-H193 PolarHBondContact O-N 2.85Å; H193-L196 PolarHBondContact O-N 2.8Å; H193-L197 WeakPolarHBondContact O-CB 3.4Å; H193-L197 WeakPolarHBondContact O-CG 3.48Å; H193-L197 PolarHBondContact O-N 2.54Å; H193-S220 PolarHBondContact CE1-O 3.5Å; H193-F224 HydrophobicContact CB-CD2 3.83Å; H193-F224 HydrophobicContact CB-CE2 4.43Å; H193-F224 AromaticContact CD2-CD2 3.79Å; H193-F224 AromaticContact CG-CD2 3.64Å; H193-L227 HydrophobicContact CB-CD2 3.77Å
194	E	97.2	Very high	92.4	Very high	113 Å²	113	41.5 Å²	41.5	53%	0.528	20%	0.204	S	C	.	.	H	α-helix	trans	-62.6	-45.5	178.6	178.3	169.1	-164	0	0	111.5	F192 L196 L197 H198 L227 M231	F192-E194 PolarHBondContact O-N 3.05Å; E194-L196 VanDerWaalsContact C-N 3.31Å; E194-L196 PolarHBondContact O-N 2.99Å; E194-L197 PolarHBondContact O-N 2.76Å; E194-H198 PolarHBondContact O-CD2 3.2Å; E194-H198 VanDerWaalsContact O-CD2 3.24Å; E194-H198 PolarHBondContact O-N 2.87Å; E194-H198 IonicContact OE1-NE2 3.87Å; E194-L227 HydrophobicContact CB-CD2 4.17Å; E194-M231 HydrophobicContact CB-CE 4.34Å; E194-M231 HydrophobicContact CG-CE 3.88Å
195	K	96.4	Very high	92.8	Very high	100 Å²	100	44.1 Å²	44.1	44%	0.435	21%	0.212	S	C	.	.	H	α-helix	trans	-61.2	-40.5	177.4	-68.4	174.5	-178.7	168.2	0	111.7	W165 F192 T199	W165-K195 HydrophobicContact CB-CB 4.22Å; F192-K195 HydrophobicContact CD1-CD 4.03Å; F192-K195 PolarHBondContact O-N 2.98Å; K195-T199 VanDerWaalsContact O-CB 3.29Å; K195-T199 WeakPolarHBondContact O-CB 3.46Å; K195-T199 PolarHBondContact O-N 3.32Å; K195-T199 PolarHBondContact O-OG1 2.99Å
196	L	96.7	Very high	93.3	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-66.3	-46.8	176.9	178.1	56.7	0	0	0	111	L107 W165 C186 L187 F192 H193 E194 T199 V200 M212 F224	L107-L196 HydrophobicContact CD1-CD1 3.82Å; W165-L196 HydrophobicContact CD2-CB 4.29Å; W165-L196 HydrophobicContact CD2-CD1 3.81Å; W165-L196 HydrophobicContact CE3-CB 3.98Å; W165-L196 HydrophobicContact CE3-CD1 4.14Å; W165-L196 HydrophobicContact CE3-CD2 4.46Å; W165-L196 HydrophobicContact CE3-CG 4.42Å; W165-L196 HydrophobicContact CG-CD1 4.22Å; W165-L196 HydrophobicContact CH2-CD1 4.43Å; W165-L196 HydrophobicContact CH2-CD2 4.35Å; W165-L196 HydrophobicContact CZ2-CD1 4.11Å; W165-L196 HydrophobicContact CZ3-CB 4.47Å; W165-L196 HydrophobicContact CZ3-CD1 4.44Å; W165-L196 HydrophobicContact CZ3-CD2 4.18Å; C186-L196 HydrophobicContact CB-CD2 3.89Å; L187-L196 HydrophobicContact CD2-CD2 3.87Å; F192-L196 VanDerWaalsContact O-CB 3.3Å; F192-L196 WeakPolarHBondContact O-CB 3.44Å; F192-L196 PolarHBondContact O-N 3.37Å; H193-L196 PolarHBondContact O-N 2.8Å; E194-L196 VanDerWaalsContact C-N 3.31Å; E194-L196 PolarHBondContact O-N 2.99Å; L196-T199 WeakPolarHBondContact O-CB 3.17Å; L196-T199 PolarHBondContact O-N 2.92Å; L196-V200 HydrophobicContact CD1-CG2 4.19Å; L196-V200 WeakPolarHBondContact O-CG2 3.41Å; L196-V200 PolarHBondContact O-N 3.43Å; L196-M212 HydrophobicContact CD1-CE 3.96Å; L196-M212 HydrophobicContact CD2-CE 3.61Å; L196-M212 HydrophobicContact CG-CE 3.78Å; L196-F224 HydrophobicContact CD2-CE2 3.94Å; L196-F224 HydrophobicContact CD2-CZ 4.35Å; L196-F224 HydrophobicContact CG-CE2 4.24Å
197	L	97.8	Very high	93.5	Very high	4 Å²	4	53.7 Å²	53.7	2%	0.021	28%	0.278	C	S	.	.	H	α-helix	trans	-60.6	-46.9	177.8	-75.3	168.6	0	0	0	112.4	H193 E194 T199 V200 H201 F224 L227 A228 M231 F235	H193-L197 WeakPolarHBondContact O-CB 3.4Å; H193-L197 WeakPolarHBondContact O-CG 3.48Å; H193-L197 PolarHBondContact O-N 2.54Å; E194-L197 PolarHBondContact O-N 2.76Å; L197-T199 VanDerWaalsContact C-N 3.29Å; L197-T199 PolarHBondContact O-N 2.85Å; L197-V200 PolarHBondContact O-N 3.17Å; L197-H201 PolarHBondContact O-N 3.18Å; L197-F224 HydrophobicContact CD1-CE2 4.2Å; L197-F224 HydrophobicContact CD2-CE1 3.95Å; L197-F224 HydrophobicContact CD2-CE2 3.84Å; L197-F224 HydrophobicContact CD2-CZ 3.39Å; L197-F224 HydrophobicContact CG-CD2 4.45Å; L197-F224 HydrophobicContact CG-CE2 3.65Å; L197-F224 HydrophobicContact CG-CZ 3.76Å; L197-L227 HydrophobicContact CD1-CB 4.09Å; L197-L227 HydrophobicContact CD1-CD2 3.74Å; L197-L227 HydrophobicContact CD1-CG 3.67Å; L197-A228 HydrophobicContact CD1-CB 4.1Å; L197-A228 HydrophobicContact CD2-CB 3.65Å; L197-M231 HydrophobicContact CB-SD 3.86Å; L197-M231 HydrophobicContact CD1-CE 4.17Å; L197-M231 HydrophobicContact CD1-SD 3.79Å; L197-M231 HydrophobicContact CG-SD 4.43Å; L197-F235 HydrophobicContact CB-CE2 4.01Å; L197-F235 HydrophobicContact CB-CZ 4.33Å; L197-F235 HydrophobicContact CD2-CD2 4.37Å; L197-F235 HydrophobicContact CD2-CE2 3.57Å; L197-F235 HydrophobicContact CD2-CZ 3.85Å; L197-F235 HydrophobicContact CG-CE2 4.33Å; L197-F235 WeakPolarHBondContact O-CZ 3.35Å
198	H	96.3	Very high	94.1	Very high	74 Å²	74	54.4 Å²	54.4	34%	0.343	29%	0.286	S	S	.	.	H	α-helix	trans	-61.8	-38.6	174.8	-80.8	-67.9	0	0	0	112.4	E194 H201 L202	E194-H198 PolarHBondContact O-CD2 3.2Å; E194-H198 VanDerWaalsContact O-CD2 3.24Å; E194-H198 PolarHBondContact O-N 2.87Å; E194-H198 IonicContact OE1-NE2 3.87Å; H198-H201 PolarHBondContact O-N 3.41Å; H198-L202 WeakPolarHBondContact O-CB 2.87Å; H198-L202 VanDerWaalsContact O-CG 3.29Å; H198-L202 WeakPolarHBondContact O-CG 3.49Å; H198-L202 PolarHBondContact O-N 2.83Å
199	T	97.3	Very high	94.9	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-61.8	-51.2	175.2	-61.8	0	0	0	0	110.8	L107 L163 W165 G166 L171 K195 L196 L197 H201 L202 L203	L107-T199 HydrophobicContact CD1-CG2 4.12Å; L107-T199 HydrophobicContact CD2-CG2 4.09Å; L163-T199 HydrophobicContact CD2-CG2 3.7Å; W165-T199 WeakPolarHBondContact CA-OG1 3.26Å; G166-T199 PolarHBondContact N-OG1 2.78Å; L171-T199 HydrophobicContact CD2-CG2 3.87Å; K195-T199 VanDerWaalsContact O-CB 3.29Å; K195-T199 WeakPolarHBondContact O-CB 3.46Å; K195-T199 PolarHBondContact O-N 3.32Å; K195-T199 PolarHBondContact O-OG1 2.99Å; L196-T199 WeakPolarHBondContact O-CB 3.17Å; L196-T199 PolarHBondContact O-N 2.92Å; L197-T199 VanDerWaalsContact C-N 3.29Å; L197-T199 PolarHBondContact O-N 2.85Å; T199-H201 VanDerWaalsContact C-N 3.34Å; T199-H201 PolarHBondContact O-N 3.1Å; T199-L202 PolarHBondContact O-N 2.89Å; T199-L203 HydrophobicContact CG2-CD1 3.73Å; T199-L203 HydrophobicContact CG2-CG 4.33Å; T199-L203 WeakPolarHBondContact O-CG 3.39Å; T199-L203 PolarHBondContact O-N 2.98Å; T199-L203 VanDerWaalsContact O-N 3.08Å
200	V	97.4	Very high	95.7	Very high	2 Å²	2	56.5 Å²	56.5	1%	0.012	30%	0.299	C	S	.	.	H	α-helix	trans	-55.1	-50.3	177.6	171	0	0	0	0	110.5	L107 V181 L196 L197 L202 L203 L204 A210 M212 F235	L107-V200 HydrophobicContact CD1-CG2 3.72Å; V181-V200 HydrophobicContact CG1-CG1 4.49Å; V181-V200 HydrophobicContact CG1-CG2 4.17Å; L196-V200 HydrophobicContact CD1-CG2 4.19Å; L196-V200 WeakPolarHBondContact O-CG2 3.41Å; L196-V200 PolarHBondContact O-N 3.43Å; L197-V200 PolarHBondContact O-N 3.17Å; V200-L202 PolarHBondContact O-N 3.23Å; V200-L203 PolarHBondContact O-N 3.17Å; V200-L204 HydrophobicContact CG1-CD1 3.78Å; V200-L204 HydrophobicContact CG1-CG 4.35Å; V200-L204 VanDerWaalsContact O-CG 3.28Å; V200-L204 WeakPolarHBondContact O-CG 3.48Å; V200-L204 PolarHBondContact O-N 3.34Å; V200-L204 VanDerWaalsContact O-N 3.16Å; V200-A210 HydrophobicContact CG1-CB 3.5Å; V200-M212 HydrophobicContact CG2-CE 4.04Å; V200-F235 HydrophobicContact CB-CZ 4.41Å; V200-F235 HydrophobicContact CG1-CE1 3.99Å; V200-F235 HydrophobicContact CG1-CZ 4.28Å
201	H	96.5	Very high	96.1	Very high	68 Å²	68	55.4 Å²	55.4	32%	0.315	29%	0.289	S	S	.	.	H	α-helix	trans	-59.3	-44.4	179.5	176.1	81.3	0	0	0	112.6	L197 H198 T199 L203 L204 L234 F235	L197-H201 PolarHBondContact O-N 3.18Å; H198-H201 PolarHBondContact O-N 3.41Å; T199-H201 VanDerWaalsContact C-N 3.34Å; T199-H201 PolarHBondContact O-N 3.1Å; H201-L203 VanDerWaalsContact C-N 3.3Å; H201-L203 PolarHBondContact O-N 2.74Å; H201-L204 PolarHBondContact O-N 3.43Å; H201-L234 HydrophobicContact CB-CB 4.27Å; H201-L234 PolarHBondContact ND1-O 3.39Å; H201-F235 HydrophobicContact CB-CE1 4.36Å; H201-F235 HydrophobicContact CB-CZ 4.04Å
202	L	96.2	Very high	96.3	Very high	39 Å²	39	50.7 Å²	50.7	20%	0.204	26%	0.263	C	S	.	.	H	α-helix	trans	-65.3	-32.1	-179.8	-76.7	170.4	0	0	0	113.3	L168 L171 K175 N176 H198 T199 V200	L168-L202 HydrophobicContact CD2-CD1 4.04Å; L171-L202 HydrophobicContact CD1-CD1 3.72Å; K175-L202 CarbonylContact C-O 3.56Å; K175-L202 VanDerWaalsContact CA-O 3.29Å; K175-L202 WeakPolarHBondContact CA-O 3.42Å; N176-L202 PolarHBondContact N-O 3.23Å; H198-L202 WeakPolarHBondContact O-CB 2.87Å; H198-L202 VanDerWaalsContact O-CG 3.29Å; H198-L202 WeakPolarHBondContact O-CG 3.49Å; H198-L202 PolarHBondContact O-N 2.83Å; T199-L202 PolarHBondContact O-N 2.89Å; V200-L202 PolarHBondContact O-N 3.23Å
203	L	97.6	Very high	96.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-77.5	-34.6	-178.8	-67.6	174.3	0	0	0	112.6	L107 L163 L171 F174 N176 Q177 F178 V181 T199 V200 H201	L107-L203 HydrophobicContact CD1-CD1 4.1Å; L107-L203 HydrophobicContact CD2-CD1 3.72Å; L107-L203 HydrophobicContact CG-CD1 4.2Å; L163-L203 HydrophobicContact CD1-CD1 4.14Å; L163-L203 HydrophobicContact CD1-CD2 4.2Å; L171-L203 HydrophobicContact CD2-CD2 4.19Å; F174-L203 HydrophobicContact CB-CD2 3.32Å; F174-L203 HydrophobicContact CG-CD2 4.24Å; N176-L203 CarbonylContact C-O 3.5Å; Q177-L203 PolarHBondContact N-O 2.78Å; Q177-L203 VanDerWaalsContact N-O 3.08Å; F178-L203 HydrophobicContact CD2-CB 4.03Å; F178-L203 HydrophobicContact CD2-CD2 4.31Å; F178-L203 HydrophobicContact CE2-CD2 4.12Å; F178-L203 PolarHBondContact N-O 3.16Å; V181-L203 HydrophobicContact CG2-CB 3.98Å; T199-L203 HydrophobicContact CG2-CD1 3.73Å; T199-L203 HydrophobicContact CG2-CG 4.33Å; T199-L203 WeakPolarHBondContact O-CG 3.39Å; T199-L203 PolarHBondContact O-N 2.98Å; T199-L203 VanDerWaalsContact O-N 3.08Å; V200-L203 PolarHBondContact O-N 3.17Å; H201-L203 VanDerWaalsContact C-N 3.3Å; H201-L203 PolarHBondContact O-N 2.74Å
204	L	98	Very high	95.5	Very high	17 Å²	17	49.5 Å²	49.5	9%	0.089	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	139.2	-175.9	-71.5	173.5	0	0	0	112.1	N176 F178 V181 V200 H201 R209 A210	N176-L204 WeakPolarHBondContact CA-O 3.43Å; N176-L204 PolarHBondContact OD1-O 2.98Å; F178-L204 WeakPolarHBondContact O-CA 3.08Å; V181-L204 HydrophobicContact CB-CD2 4.03Å; V181-L204 HydrophobicContact CG2-CD2 3.55Å; V181-L204 HydrophobicContact CG2-CG 3.93Å; V200-L204 HydrophobicContact CG1-CD1 3.78Å; V200-L204 HydrophobicContact CG1-CG 4.35Å; V200-L204 VanDerWaalsContact O-CG 3.28Å; V200-L204 WeakPolarHBondContact O-CG 3.48Å; V200-L204 PolarHBondContact O-N 3.34Å; V200-L204 VanDerWaalsContact O-N 3.16Å; H201-L204 PolarHBondContact O-N 3.43Å; L204-R209 WeakPolarHBondContact CD2-O 3.48Å; L204-A210 HydrophobicContact CD1-CB 4.28Å
205	R	97.2	Very high	94.4	Very high	67 Å²	67	46.1 Å²	46.1	25%	0.253	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	161.6	159.8	-73.3	177.6	-172.1	156.2	14.3	110.1	N176 Q177 F178 D179 S207 G208	N176-R205 WeakPolarHBondContact O-CG 3.35Å; Q177-R205 VanDerWaalsContact O-CZ 3.26Å; Q177-R205 PolarHBondContact O-NE 3.03Å; Q177-R205 VanDerWaalsContact O-NE 3.16Å; Q177-R205 PolarHBondContact O-NH2 3.11Å; F178-R205 PolarHBondContact O-N 3.09Å; D179-R205 IonicContact OD1-CZ 3.72Å; D179-R205 IonicContact OD1-NE 3.73Å; D179-R205 IonicContact OD1-NH1 2.54Å; D179-R205 PolarHBondContact OD1-NH1 2.94Å; D179-R205 IonicContact OD2-CZ 2.8Å; D179-R205 IonicContact OD2-NH1 2.91Å; D179-R205 PolarHBondContact OD2-NH1 3.02Å; D179-R205 IonicContact OD2-NH2 3.63Å; R205-S207 PolarHBondContact O-N 2.56Å; R205-G208 WeakPolarHBondContact O-CA 3.49Å; R205-G208 PolarHBondContact O-N 2.75Å
206	P	94.7	Very high	93.3	Very high	136 Å²	136	47.8 Å²	47.8	88%	0.883	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.8	-28.6	-179.8	-29.4	36	0	0	0	115.8
207	S	93.7	Very high	91.9	Very high	104 Å²	104	49.8 Å²	49.8	73%	0.727	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.3	9	175.9	57.7	0	0	0	0	113.9	R205	R205-S207 PolarHBondContact O-N 2.56Å
208	G	97.6	Very high	90.9	Very high	19 Å²	19	53.8 Å²	53.8	20%	0.196	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	158.8	-178.5	0	0	0	0	0	112.3	D179 R205	D179-G208 CarbonylContact O-C 3.44Å; D179-G208 WeakPolarHBondContact O-CA 3.27Å; R205-G208 WeakPolarHBondContact O-CA 3.49Å; R205-G208 PolarHBondContact O-N 2.75Å
209	R	97.2	Very high	90.1	Very high	122 Å²	122	51.4 Å²	51.4	46%	0.46	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	146.3	178.9	-64	179.9	-69.8	155.1	8.1	110.3	E98 D179 I180 V181 L204 F211	E98-R209 IonicContact OE2-CZ 3.14Å; E98-R209 IonicContact OE2-NH1 2.8Å; E98-R209 PolarHBondContact OE2-NH1 2.89Å; E98-R209 IonicContact OE2-NH2 3.32Å; E98-R209 PolarHBondContact OE2-NH2 3.4Å; D179-R209 PolarHBondContact O-N 3.48Å; I180-R209 CarbonylContact C-O 3.6Å; I180-R209 VanDerWaalsContact CA-O 3.26Å; I180-R209 WeakPolarHBondContact CA-O 3.29Å; V181-R209 PolarHBondContact N-O 3.45Å; L204-R209 WeakPolarHBondContact CD2-O 3.48Å; R209-F211 HydrophobicContact CB-CE2 4.44Å; R209-F211 HydrophobicContact CB-CZ 4.37Å
210	A	98	Very high	89.5	Confident	39 Å²	39	51.7 Å²	51.7	32%	0.322	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	136.6	170	0	0	0	0	0	110.3	V181 V200 L204	V181-A210 HydrophobicContact CB-CB 4.28Å; V181-A210 CarbonylContact O-C 3.56Å; V181-A210 VanDerWaalsContact O-CA 3.23Å; V181-A210 WeakPolarHBondContact O-CA 3.19Å; V200-A210 HydrophobicContact CG1-CB 3.5Å; L204-A210 HydrophobicContact CD1-CB 4.28Å
211	F	95.7	Very high	88.8	Confident	39 Å²	39	52.8 Å²	52.8	17%	0.171	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	120	170.5	-56.7	-73.3	0	0	0	108.4	W91 I180 V181 L182 A183 R209 L213	W91-F211 HydrophobicContact CH2-CB 4.07Å; W91-F211 AromaticContact CH2-CD1 3.46Å; W91-F211 HydrophobicContact CH2-CD1 3.46Å; W91-F211 VanDerWaalsContact CH2-CD1 3.46Å; W91-F211 AromaticContact CH2-CD2 3.69Å; W91-F211 HydrophobicContact CH2-CD2 3.69Å; W91-F211 AromaticContact CH2-CE1 3.68Å; W91-F211 HydrophobicContact CH2-CE1 3.68Å; W91-F211 AromaticContact CH2-CE2 3.9Å; W91-F211 HydrophobicContact CH2-CE2 3.9Å; W91-F211 AromaticContact CH2-CG 3.46Å; W91-F211 HydrophobicContact CH2-CG 3.46Å; W91-F211 VanDerWaalsContact CH2-CG 3.46Å; W91-F211 AromaticContact CH2-CZ 3.88Å; W91-F211 HydrophobicContact CH2-CZ 3.88Å; W91-F211 AromaticContact CZ2-CD1 3.99Å; W91-F211 HydrophobicContact CZ2-CD1 3.99Å; W91-F211 HydrophobicContact CZ2-CE1 4.16Å; W91-F211 HydrophobicContact CZ2-CG 4.36Å; W91-F211 HydrophobicContact CZ3-CB 4.1Å; W91-F211 HydrophobicContact CZ3-CD1 4.31Å; W91-F211 AromaticContact CZ3-CD2 3.92Å; W91-F211 HydrophobicContact CZ3-CD2 3.92Å; W91-F211 HydrophobicContact CZ3-CE2 4.4Å; W91-F211 AromaticContact CZ3-CG 3.86Å; W91-F211 HydrophobicContact CZ3-CG 3.86Å; I180-F211 HydrophobicContact CD1-CE2 4.38Å; I180-F211 HydrophobicContact CG1-CE2 4.41Å; I180-F211 HydrophobicContact CG2-CD2 3.68Å; I180-F211 HydrophobicContact CG2-CE2 3.94Å; V181-F211 PolarHBondContact O-N 3.08Å; L182-F211 WeakPolarHBondContact CA-O 3.27Å; L182-F211 HydrophobicContact CD2-CB 3.95Å; L182-F211 HydrophobicContact CD2-CD2 4.06Å; A183-F211 PolarHBondContact N-O 3.49Å; R209-F211 HydrophobicContact CB-CE2 4.44Å; R209-F211 HydrophobicContact CB-CZ 4.37Å; F211-L213 HydrophobicContact CB-CD1 4.47Å
212	M	93.9	Very high	88.4	Confident	49 Å²	49	53.5 Å²	53.5	24%	0.241	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	115.6	-177.9	-53	-175.2	100.7	0	0	108.1	A183 L187 L196 V200 F224	A183-M212 HydrophobicContact CB-CE 3.67Å; A183-M212 HydrophobicContact CB-CG 4.19Å; A183-M212 CarbonylContact O-C 3.59Å; A183-M212 VanDerWaalsContact O-CA 3.27Å; A183-M212 WeakPolarHBondContact O-CA 3.45Å; L187-M212 HydrophobicContact CD2-CE 4.25Å; L187-M212 HydrophobicContact CD2-SD 4.5Å; L196-M212 HydrophobicContact CD1-CE 3.96Å; L196-M212 HydrophobicContact CD2-CE 3.61Å; L196-M212 HydrophobicContact CG-CE 3.78Å; V200-M212 HydrophobicContact CG2-CE 4.04Å; M212-F224 HydrophobicContact CE-CZ 3.93Å; M212-F224 HydrophobicContact SD-CE1 3.54Å; M212-F224 VanDerWaalsContact SD-CE1 3.54Å; M212-F224 HydrophobicContact SD-CZ 3.47Å; M212-F224 WeakPolarHBondContact SD-CZ 3.23Å
213	L	86.9	Confident	88.3	Confident	21 Å²	21	57 Å²	57	11%	0.11	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	112.1	-179.3	-70.8	85.2	0	0	0	107.9	V87 M88 W91 A183 A184 D185 F211 Y244	V87-L213 HydrophobicContact CB-CD2 4.47Å; V87-L213 HydrophobicContact CG1-CD2 3.53Å; M88-L213 HydrophobicContact CB-CD1 4.21Å; M88-L213 HydrophobicContact CB-CD2 4.13Å; M88-L213 HydrophobicContact CG-CD1 3.95Å; M88-L213 HydrophobicContact SD-CD1 4.18Å; W91-L213 HydrophobicContact CB-CD2 4.28Å; W91-L213 HydrophobicContact CG-CD2 4.38Å; A183-L213 PolarHBondContact O-N 3.02Å; A184-L213 WeakPolarHBondContact CA-O 3.4Å; D185-L213 PolarHBondContact N-O 3.12Å; F211-L213 HydrophobicContact CB-CD1 4.47Å; L213-Y244 HydrophobicContact CD2-CE2 4.23Å
214	A	82.6	Confident	88.2	Confident	26 Å²	26	57.5 Å²	57.5	22%	0.215	31%	0.313	C	S	.	.			trans	-145.6	144.2	-177.6	0	0	0	0	0	111.4	L187	L187-A214 HydrophobicContact CB-CB 4.1Å; L187-A214 HydrophobicContact CD1-CB 3.59Å; L187-A214 HydrophobicContact CG-CB 3.71Å
215	P	75.5	Confident	88	Confident	42 Å²	42	57.5 Å²	57.5	27%	0.273	31%	0.313	S	S	.	.			trans	-64.1	162.1	164.9	28	-36	0	0	0	111.4	S84 R217	S84-P215 WeakPolarHBondContact OG-CD 3.24Å; P215-R217 VanDerWaalsContact C-N 3.3Å; P215-R217 HydrophobicContact CB-CG 4.06Å; P215-R217 HydrophobicContact CG-CG 3.63Å; P215-R217 VanDerWaalsContact CG-NE 3.33Å; P215-R217 PolarHBondContact O-N 3.22Å
216	R	73.1	Confident	88.1	Confident	136 Å²	136	61.3 Å²	61.3	51%	0.513	33%	0.334	S	S	.	.			trans	-66.4	-28.4	178.2	-62.5	179	169	163.1	-1.5	114.3	S218 G219 S220 L221 E222 Y272	R216-S218 PolarHBondContact O-N 2.99Å; R216-G219 PolarHBondContact O-N 3.45Å; R216-S220 PolarHBondContact O-N 3.39Å; R216-S220 VanDerWaalsContact O-N 3.08Å; R216-L221 HydrophobicContact CG-CD2 4.03Å; R216-L221 PolarHBondContact O-N 3.08Å; R216-E222 WeakPolarHBondContact CD-OE1 3.45Å; R216-E222 WeakPolarHBondContact CG-OE1 2.99Å; R216-E222 IonicContact NE-OE1 3.93Å; R216-Y272 HydrophobicContact CB-CE1 3.7Å
217	R	67.5	Low	88.2	Confident	42 Å²	42	57.8 Å²	57.8	16%	0.158	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	28.4	83	-179.6	-73.6	178.9	-172.6	-120	2.1	114	D185 P215 G219 S220	D185-R217 IonicContact OD1-CZ 3.03Å; D185-R217 IonicContact OD1-NE 3.91Å; D185-R217 PolarHBondContact OD1-NE 3.37Å; D185-R217 IonicContact OD1-NH2 2.56Å; D185-R217 PolarHBondContact OD1-NH2 3.3Å; D185-R217 IonicContact OD2-CZ 3.62Å; D185-R217 IonicContact OD2-NE 2.78Å; D185-R217 IonicContact OD2-NH2 2.83Å; D185-R217 PolarHBondContact OD2-NH2 3.48Å; P215-R217 VanDerWaalsContact C-N 3.3Å; P215-R217 HydrophobicContact CB-CG 4.06Å; P215-R217 HydrophobicContact CG-CG 3.63Å; P215-R217 VanDerWaalsContact CG-NE 3.33Å; P215-R217 PolarHBondContact O-N 3.22Å; R217-G219 PolarHBondContact O-N 3.31Å; R217-S220 VanDerWaalsContact O-CB 3.31Å; R217-S220 WeakPolarHBondContact O-CB 3.48Å; R217-S220 PolarHBondContact O-N 2.96Å; R217-S220 PolarHBondContact O-OG 3.4Å
218	S	75.7	Confident	88.4	Confident	87 Å²	87	53 Å²	53	61%	0.608	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	36.9	172.5	-54.2	0	0	0	0	114.4	R216	R216-S218 PolarHBondContact O-N 2.99Å
219	G	80.8	Confident	88.4	Confident	24 Å²	24	59 Å²	59	25%	0.247	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.6	3.1	178.6	0	0	0	0	0	115.1	R216 R217 E222 K223	R216-G219 PolarHBondContact O-N 3.45Å; R217-G219 PolarHBondContact O-N 3.31Å; G219-E222 WeakPolarHBondContact CA-OE2 3.23Å; G219-E222 PolarHBondContact O-N 3.25Å; G219-K223 WeakPolarHBondContact O-CG 3.47Å; G219-K223 PolarHBondContact O-N 3.5Å
220	S	82.7	Confident	88.4	Confident	6 Å²	6	56.1 Å²	56.1	4%	0.042	30%	0.3	C	S	.	.	H	α-helix	trans	-67.3	-37.3	-176.2	86.5	0	0	0	0	112	L187 H193 R216 R217 F224	L187-S220 VanDerWaalsContact O-CB 3.28Å; L187-S220 WeakPolarHBondContact O-CB 3.38Å; L187-S220 PolarHBondContact O-OG 3.39Å; H193-S220 PolarHBondContact CE1-O 3.5Å; R216-S220 PolarHBondContact O-N 3.39Å; R216-S220 VanDerWaalsContact O-N 3.08Å; R217-S220 VanDerWaalsContact O-CB 3.31Å; R217-S220 WeakPolarHBondContact O-CB 3.48Å; R217-S220 PolarHBondContact O-N 2.96Å; R217-S220 PolarHBondContact O-OG 3.4Å; S220-F224 WeakPolarHBondContact O-CB 3.19Å; S220-F224 PolarHBondContact O-N 3.18Å
221	L	82.9	Confident	88.3	Confident	26 Å²	26	55.4 Å²	55.4	14%	0.136	29%	0.29	C	S	.	.	H	α-helix	trans	-61.8	-46.1	172.9	175.3	63.3	0	0	0	110.8	L187 R216 K223 F224 V225	L187-L221 HydrophobicContact CD1-CD1 3.48Å; L187-L221 VanDerWaalsContact CD1-CD1 3.48Å; R216-L221 HydrophobicContact CG-CD2 4.03Å; R216-L221 PolarHBondContact O-N 3.08Å; L221-K223 PolarHBondContact O-N 3.47Å; L221-F224 PolarHBondContact O-N 2.93Å; L221-V225 HydrophobicContact CD1-CG2 4.05Å; L221-V225 HydrophobicContact CG-CG2 4.39Å; L221-V225 WeakPolarHBondContact O-CB 3.16Å; L221-V225 VanDerWaalsContact O-CG2 3.23Å; L221-V225 WeakPolarHBondContact O-CG2 3.35Å; L221-V225 PolarHBondContact O-N 2.84Å
222	E	89.5	Confident	88.3	Confident	82 Å²	82	57.8 Å²	57.8	38%	0.383	31%	0.311	S	S	.	.	H	α-helix	trans	-61.7	-45.7	-178.5	-70	71.7	-162.7	0	0	111.1	R216 G219 F224 V225 E226	R216-E222 WeakPolarHBondContact CD-OE1 3.45Å; R216-E222 WeakPolarHBondContact CG-OE1 2.99Å; R216-E222 IonicContact NE-OE1 3.93Å; G219-E222 WeakPolarHBondContact CA-OE2 3.23Å; G219-E222 PolarHBondContact O-N 3.25Å; E222-F224 PolarHBondContact O-N 3.42Å; E222-V225 PolarHBondContact O-N 2.92Å; E222-E226 WeakPolarHBondContact O-CB 3.38Å; E222-E226 PolarHBondContact O-N 3.46Å
223	K	94.4	Very high	88.3	Confident	112 Å²	112	61.7 Å²	61.7	49%	0.487	34%	0.338	S	S	.	.	H	α-helix	trans	-59.9	-43.7	174.2	-71.7	173.3	-177.7	175.3	0	112.2	V190 G219 L221 V225 E226 L227	V190-K223 HydrophobicContact CG1-CD 4.3Å; V190-K223 HydrophobicContact CG2-CD 4.15Å; G219-K223 WeakPolarHBondContact O-CG 3.47Å; G219-K223 PolarHBondContact O-N 3.5Å; L221-K223 PolarHBondContact O-N 3.47Å; K223-V225 PolarHBondContact O-N 3.27Å; K223-E226 PolarHBondContact O-N 3.08Å; K223-L227 WeakPolarHBondContact O-CB 3.36Å; K223-L227 PolarHBondContact O-N 3.28Å
224	F	94.7	Very high	88.7	Confident	12 Å²	12	62.4 Å²	62.4	5%	0.053	34%	0.342	C	S	.	.	H	α-helix	trans	-61.9	-43.9	177.2	-177.5	-96	0	0	0	111.8	L187 H193 L196 L197 M212 S220 L221 E222 L227 A228	L187-F224 HydrophobicContact CD1-CB 4.17Å; L187-F224 HydrophobicContact CD1-CD1 3.78Å; L187-F224 HydrophobicContact CD1-CE1 4.35Å; L187-F224 HydrophobicContact CD1-CG 3.97Å; L187-F224 HydrophobicContact CD2-CB 4.45Å; L187-F224 HydrophobicContact CD2-CD1 3.8Å; L187-F224 HydrophobicContact CD2-CD2 3.59Å; L187-F224 HydrophobicContact CD2-CE1 3.83Å; L187-F224 HydrophobicContact CD2-CE2 3.62Å; L187-F224 HydrophobicContact CD2-CG 3.67Å; L187-F224 HydrophobicContact CD2-CZ 3.73Å; L187-F224 HydrophobicContact CG-CD1 4.44Å; L187-F224 HydrophobicContact CG-CG 4.34Å; H193-F224 HydrophobicContact CB-CD2 3.83Å; H193-F224 HydrophobicContact CB-CE2 4.43Å; H193-F224 AromaticContact CD2-CD2 3.79Å; H193-F224 AromaticContact CG-CD2 3.64Å; L196-F224 HydrophobicContact CD2-CE2 3.94Å; L196-F224 HydrophobicContact CD2-CZ 4.35Å; L196-F224 HydrophobicContact CG-CE2 4.24Å; L197-F224 HydrophobicContact CD1-CE2 4.2Å; L197-F224 HydrophobicContact CD2-CE1 3.95Å; L197-F224 HydrophobicContact CD2-CE2 3.84Å; L197-F224 HydrophobicContact CD2-CZ 3.39Å; L197-F224 HydrophobicContact CG-CD2 4.45Å; L197-F224 HydrophobicContact CG-CE2 3.65Å; L197-F224 HydrophobicContact CG-CZ 3.76Å; M212-F224 HydrophobicContact CE-CZ 3.93Å; M212-F224 HydrophobicContact SD-CE1 3.54Å; M212-F224 VanDerWaalsContact SD-CE1 3.54Å; M212-F224 HydrophobicContact SD-CZ 3.47Å; M212-F224 WeakPolarHBondContact SD-CZ 3.23Å; S220-F224 WeakPolarHBondContact O-CB 3.19Å; S220-F224 PolarHBondContact O-N 3.18Å; L221-F224 PolarHBondContact O-N 2.93Å; E222-F224 PolarHBondContact O-N 3.42Å; F224-L227 PolarHBondContact O-N 3.19Å; F224-A228 WeakPolarHBondContact O-CB 3.49Å; F224-A228 PolarHBondContact O-N 3.43Å
225	V	94.6	Very high	89.3	Confident	16 Å²	16	62.8 Å²	62.8	10%	0.097	34%	0.339	C	S	.	.	H	α-helix	trans	-67.1	-41	179.7	169.8	0	0	0	0	111.5	L221 E222 K223 A228 R229 V238 V240	L221-V225 HydrophobicContact CD1-CG2 4.05Å; L221-V225 HydrophobicContact CG-CG2 4.39Å; L221-V225 WeakPolarHBondContact O-CB 3.16Å; L221-V225 VanDerWaalsContact O-CG2 3.23Å; L221-V225 WeakPolarHBondContact O-CG2 3.35Å; L221-V225 PolarHBondContact O-N 2.84Å; E222-V225 PolarHBondContact O-N 2.92Å; K223-V225 PolarHBondContact O-N 3.27Å; V225-A228 PolarHBondContact O-N 3.27Å; V225-R229 WeakPolarHBondContact O-CB 3.37Å; V225-R229 VanDerWaalsContact O-CG 3.31Å; V225-R229 WeakPolarHBondContact O-CG 3.46Å; V225-R229 PolarHBondContact O-N 3.41Å; V225-V238 HydrophobicContact CG1-CG1 4.3Å; V225-V240 HydrophobicContact CB-CG2 4.21Å; V225-V240 HydrophobicContact CG1-CG2 3.7Å; V225-V240 HydrophobicContact CG2-CG2 3.45Å; V225-V240 VanDerWaalsContact CG2-CG2 3.45Å
226	E	97.5	Very high	90.1	Very high	147 Å²	147	72.7 Å²	72.7	69%	0.687	37%	0.371	S	S	*	.	H	α-helix	trans	-58.6	-49.6	173.6	-176	179.2	178.2	0	0	110.8	E222 K223 A228 R229 G230	E222-E226 WeakPolarHBondContact O-CB 3.38Å; E222-E226 PolarHBondContact O-N 3.46Å; K223-E226 PolarHBondContact O-N 3.08Å; E226-A228 PolarHBondContact O-N 3.14Å; E226-R229 PolarHBondContact O-N 3.22Å; E226-G230 PolarHBondContact O-N 3Å
227	L	97.9	Very high	91.1	Very high	63 Å²	63	72.9 Å²	72.9	33%	0.33	38%	0.381	S	S	.	.	H	α-helix	trans	-60.4	-46.2	177.7	-174.2	62.3	0	0	0	112	H193 E194 L197 K223 F224 R229 G230 M231	H193-L227 HydrophobicContact CB-CD2 3.77Å; E194-L227 HydrophobicContact CB-CD2 4.17Å; L197-L227 HydrophobicContact CD1-CB 4.09Å; L197-L227 HydrophobicContact CD1-CD2 3.74Å; L197-L227 HydrophobicContact CD1-CG 3.67Å; K223-L227 WeakPolarHBondContact O-CB 3.36Å; K223-L227 PolarHBondContact O-N 3.28Å; F224-L227 PolarHBondContact O-N 3.19Å; L227-R229 VanDerWaalsContact C-N 3.33Å; L227-R229 PolarHBondContact O-N 3.45Å; L227-G230 PolarHBondContact O-N 3.07Å; L227-G230 VanDerWaalsContact O-N 3.15Å; L227-M231 HydrophobicContact CD1-CE 3.84Å; L227-M231 HydrophobicContact CD2-CE 4.21Å; L227-M231 HydrophobicContact CG-CE 3.84Å; L227-M231 WeakPolarHBondContact O-CG 3.23Å; L227-M231 PolarHBondContact O-N 3.02Å; L227-M231 VanDerWaalsContact O-N 3.1Å
228	A	97.6	Very high	92.4	Very high	3 Å²	3	72.6 Å²	72.6	3%	0.025	38%	0.384	C	S	.	.	H	α-helix	trans	-61.4	-39	178.6	0	0	0	0	0	112.6	L197 F224 V225 E226 M231 V238	L197-A228 HydrophobicContact CD1-CB 4.1Å; L197-A228 HydrophobicContact CD2-CB 3.65Å; F224-A228 WeakPolarHBondContact O-CB 3.49Å; F224-A228 PolarHBondContact O-N 3.43Å; V225-A228 PolarHBondContact O-N 3.27Å; E226-A228 PolarHBondContact O-N 3.14Å; A228-M231 PolarHBondContact O-N 2.97Å; A228-V238 HydrophobicContact CB-CG1 4.08Å; A228-V238 HydrophobicContact CB-CG2 4.01Å
229	R	97.1	Very high	93.2	Very high	144 Å²	144	72.8 Å²	72.8	54%	0.543	38%	0.381	S	S	.	.	H	α-helix	trans	-69.7	-33.4	175.3	-75.1	173.3	174.8	163.4	-0.7	112.5	V225 E226 L227 M231 V238	V225-R229 WeakPolarHBondContact O-CB 3.37Å; V225-R229 VanDerWaalsContact O-CG 3.31Å; V225-R229 WeakPolarHBondContact O-CG 3.46Å; V225-R229 PolarHBondContact O-N 3.41Å; E226-R229 PolarHBondContact O-N 3.22Å; L227-R229 VanDerWaalsContact C-N 3.33Å; L227-R229 PolarHBondContact O-N 3.45Å; R229-M231 VanDerWaalsContact C-N 3.27Å; R229-M231 PolarHBondContact O-N 2.81Å; R229-V238 HydrophobicContact CG-CB 3.81Å; R229-V238 HydrophobicContact CG-CG1 4.12Å; R229-V238 HydrophobicContact CG-CG2 4.37Å; R229-V238 PolarHBondContact NE-O 3.25Å; R229-V238 PolarHBondContact NH2-O 3.38Å
230	G	97.7	Very high	93.6	Very high	63 Å²	63	75 Å²	75	65%	0.649	39%	0.39	S	S	*	.	H	α-helix	trans	-64.4	-31.4	172.4	0	0	0	0	0	112.9	E226 L227 S232	E226-G230 PolarHBondContact O-N 3Å; L227-G230 PolarHBondContact O-N 3.07Å; L227-G230 VanDerWaalsContact O-N 3.15Å; G230-S232 PolarHBondContact O-N 3.19Å
231	M	97	Very high	93.7	Very high	24 Å²	24	81.3 Å²	81.3	12%	0.118	42%	0.416	C	S	.	.			trans	-82.6	52	177	-64.8	-180	-178.9	0	0	113	E194 L197 L227 A228 R229 T233 L234 F235	E194-M231 HydrophobicContact CB-CE 4.34Å; E194-M231 HydrophobicContact CG-CE 3.88Å; L197-M231 HydrophobicContact CB-SD 3.86Å; L197-M231 HydrophobicContact CD1-CE 4.17Å; L197-M231 HydrophobicContact CD1-SD 3.79Å; L197-M231 HydrophobicContact CG-SD 4.43Å; L227-M231 HydrophobicContact CD1-CE 3.84Å; L227-M231 HydrophobicContact CD2-CE 4.21Å; L227-M231 HydrophobicContact CG-CE 3.84Å; L227-M231 WeakPolarHBondContact O-CG 3.23Å; L227-M231 PolarHBondContact O-N 3.02Å; L227-M231 VanDerWaalsContact O-N 3.1Å; A228-M231 PolarHBondContact O-N 2.97Å; R229-M231 VanDerWaalsContact C-N 3.27Å; R229-M231 PolarHBondContact O-N 2.81Å; M231-T233 PolarHBondContact O-N 3.19Å; M231-T233 VanDerWaalsContact O-N 3.13Å; M231-L234 HydrophobicContact CB-CB 4.25Å; M231-L234 HydrophobicContact CB-CD1 4.12Å; M231-L234 HydrophobicContact CB-CG 4.2Å; M231-L234 HydrophobicContact CG-CD1 4.34Å; M231-L234 PolarHBondContact O-N 2.63Å; M231-L234 HydrophobicContact SD-CD1 3.84Å; M231-F235 HydrophobicContact CB-CD2 4.23Å; M231-F235 PolarHBondContact O-N 2.96Å
232	S	93.8	Very high	93.4	Very high	89 Å²	89	83.6 Å²	83.6	62%	0.622	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-20.1	-175.5	61.6	0	0	0	0	114.8	G230 L234	G230-S232 PolarHBondContact O-N 3.19Å; S232-L234 VanDerWaalsContact C-N 3.33Å
233	T	95	Very high	92.7	Very high	130 Å²	130	84 Å²	84	80%	0.798	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-23.4	171.8	53.7	0	0	0	0	112.9	M231	M231-T233 PolarHBondContact O-N 3.19Å; M231-T233 VanDerWaalsContact O-N 3.13Å
234	L	95.3	Very high	91.7	Very high	37 Å²	37	82.1 Å²	82.1	19%	0.194	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-39.7	-179.8	-53.7	-172.6	0	0	0	112.1	H201 M231 S232	H201-L234 HydrophobicContact CB-CB 4.27Å; H201-L234 PolarHBondContact ND1-O 3.39Å; M231-L234 HydrophobicContact CB-CB 4.25Å; M231-L234 HydrophobicContact CB-CD1 4.12Å; M231-L234 HydrophobicContact CB-CG 4.2Å; M231-L234 HydrophobicContact CG-CD1 4.34Å; M231-L234 PolarHBondContact O-N 2.63Å; M231-L234 HydrophobicContact SD-CD1 3.84Å; S232-L234 VanDerWaalsContact C-N 3.33Å
235	F	95	Very high	90.9	Very high	33 Å²	33	83 Å²	83	15%	0.145	43%	0.433	C	S	.	.			trans	-124.3	114.7	-175.7	-56.9	-73.8	0	0	0	111.1	L197 V200 H201 M231 L237 V238	L197-F235 HydrophobicContact CB-CE2 4.01Å; L197-F235 HydrophobicContact CB-CZ 4.33Å; L197-F235 HydrophobicContact CD2-CD2 4.37Å; L197-F235 HydrophobicContact CD2-CE2 3.57Å; L197-F235 HydrophobicContact CD2-CZ 3.85Å; L197-F235 HydrophobicContact CG-CE2 4.33Å; L197-F235 WeakPolarHBondContact O-CZ 3.35Å; V200-F235 HydrophobicContact CB-CZ 4.41Å; V200-F235 HydrophobicContact CG1-CE1 3.99Å; V200-F235 HydrophobicContact CG1-CZ 4.28Å; H201-F235 HydrophobicContact CB-CE1 4.36Å; H201-F235 HydrophobicContact CB-CZ 4.04Å; M231-F235 HydrophobicContact CB-CD2 4.23Å; M231-F235 PolarHBondContact O-N 2.96Å; F235-L237 VanDerWaalsContact C-N 3.34Å; F235-L237 PolarHBondContact O-N 3.21Å; F235-V238 HydrophobicContact CB-CG2 3.85Å
236	R	92.2	Very high	90.2	Very high	251 Å²	251	88.7 Å²	88.7	95%	0.947	46%	0.463	S	S	*	.	S	Bend	trans	-66.9	-35.5	177.5	-175.3	-176.5	-62.3	-143	0.2	112.8
237	L	93.8	Very high	89.4	Confident	140 Å²	140	87.3 Å²	87.3	73%	0.733	45%	0.452	S	S	*	.			trans	-145.7	127.8	-173.6	179.2	65.2	0	0	0	110	F235 T239	F235-L237 VanDerWaalsContact C-N 3.34Å; F235-L237 PolarHBondContact O-N 3.21Å; L237-T239 HydrophobicContact CD1-CG2 3.89Å; L237-T239 HydrophobicContact CD2-CG2 4.18Å; L237-T239 HydrophobicContact CG-CG2 3.94Å
238	V	94.7	Very high	88.2	Confident	36 Å²	36	85 Å²	85	22%	0.218	44%	0.44	C	S	.	.			trans	-127.9	109	174.9	-178.8	0	0	0	0	109	V225 A228 R229 F235	V225-V238 HydrophobicContact CG1-CG1 4.3Å; A228-V238 HydrophobicContact CB-CG1 4.08Å; A228-V238 HydrophobicContact CB-CG2 4.01Å; R229-V238 HydrophobicContact CG-CB 3.81Å; R229-V238 HydrophobicContact CG-CG1 4.12Å; R229-V238 HydrophobicContact CG-CG2 4.37Å; R229-V238 PolarHBondContact NE-O 3.25Å; R229-V238 PolarHBondContact NH2-O 3.38Å; F235-V238 HydrophobicContact CB-CG2 3.85Å
239	T	92.4	Very high	87	Confident	90 Å²	90	85.4 Å²	85.4	55%	0.552	44%	0.442	S	S	*	.			trans	-114.7	139.8	179.8	57.3	0	0	0	0	111	L237	L237-T239 HydrophobicContact CD1-CG2 3.89Å; L237-T239 HydrophobicContact CD2-CG2 4.18Å; L237-T239 HydrophobicContact CG-CG2 3.94Å
240	V	89.5	Confident	85.9	Confident	70 Å²	70	82 Å²	82	42%	0.424	44%	0.438	S	S	.	.			trans	-110.1	128.3	170.7	-176.8	0	0	0	0	107.6	V225	V225-V240 HydrophobicContact CB-CG2 4.21Å; V225-V240 HydrophobicContact CG1-CG2 3.7Å; V225-V240 HydrophobicContact CG2-CG2 3.45Å; V225-V240 VanDerWaalsContact CG2-CG2 3.45Å
241	K	84.8	Confident	84.4	Confident	139 Å²	139	79.6 Å²	79.6	60%	0.604	41%	0.411	S	S	*	.			trans	-121.4	106.5	177.9	-66.6	-172.3	178.1	-172.9	0	108.7	Y244	K241-Y244 WeakPolarHBondContact O-CD1 3.47Å
242	P	77.6	Confident	83.1	Confident	74 Å²	74	82.5 Å²	82.5	48%	0.481	42%	0.42	S	S	.	.	S	Bend	trans	-72.7	-33.3	176.1	27.5	-32.5	0	0	0	112.5	R252	P242-R252 PolarHBondContact O-NH1 3.23Å
243	D	75.1	Confident	81.9	Confident	91 Å²	91	81.9 Å²	81.9	49%	0.487	41%	0.41	S	S	.	.			trans	-110.1	80.2	177.9	-57.7	-63.6	0	0	0	109.1	S249 R252	D243-S249 PolarHBondContact OD1-OG 3.43Å; D243-R252 IonicContact OD1-CZ 3.18Å; D243-R252 VanDerWaalsContact OD1-CZ 3.32Å; D243-R252 IonicContact OD1-NH1 2.72Å; D243-R252 PolarHBondContact OD1-NH1 2.88Å; D243-R252 IonicContact OD1-NH2 2.94Å; D243-R252 PolarHBondContact OD1-NH2 3.2Å
244	Y	73.2	Confident	80.5	Confident	73 Å²	73	81.8 Å²	81.8	29%	0.286	40%	0.402	S	S	.	.			trans	-96.7	-7.6	-173.4	53.3	-90.9	0	0	0	113.8	V87 W91 R95 L213 K241 L248	V87-Y244 HydrophobicContact CG1-CE2 3.84Å; V87-Y244 WeakPolarHBondContact CG1-OH 3.42Å; W91-Y244 AromaticContact CD1-CD2 3.55Å; W91-Y244 AromaticContact NE1-CD2 3.86Å; R95-Y244 PolarHBondContact NH2-O 3.01Å; L213-Y244 HydrophobicContact CD2-CE2 4.23Å; K241-Y244 WeakPolarHBondContact O-CD1 3.47Å; Y244-L248 HydrophobicContact CD2-CD1 4.24Å; Y244-L248 HydrophobicContact CE2-CD1 3.41Å; Y244-L248 VanDerWaalsContact CE2-CD1 3.41Å
245	D	77.4	Confident	79	Confident	29 Å²	29	82.2 Å²	82.2	16%	0.155	40%	0.404	C	S	.	.			trans	-158.9	127.6	176	178.9	-93.1	0	0	0	110.4	Y90 R247 L248 S249	Y90-D245 WeakPolarHBondContact CE1-OD1 3.4Å; Y90-D245 PolarHBondContact OH-OD1 2.85Å; D245-R247 VanDerWaalsContact C-N 3.32Å; D245-R247 PolarHBondContact O-N 2.93Å; D245-R247 WeakPolarHBondContact OD1-CA 3.11Å; D245-R247 VanDerWaalsContact OD1-CB 3.3Å; D245-R247 WeakPolarHBondContact OD1-CB 3.38Å; D245-R247 PolarHBondContact OD1-N 2.98Å; D245-L248 HydrophobicContact CB-CB 4.06Å; D245-L248 HydrophobicContact CB-CD1 3.96Å; D245-L248 HydrophobicContact CB-CG 4.12Å; D245-L248 PolarHBondContact O-N 3.07Å; D245-L248 PolarHBondContact OD1-N 3.33Å; D245-S249 WeakPolarHBondContact O-CB 3.36Å; D245-S249 PolarHBondContact O-N 3.23Å; D245-S249 PolarHBondContact O-OG 3.4Å
246	D	80.7	Confident	77.6	Confident	136 Å²	136	84.2 Å²	84.2	73%	0.727	42%	0.416	S	S	*	.	H	α-helix	trans	-64.4	-36	-174.4	-66.3	-22.8	0	0	0	112.6	T250	D246-T250 WeakPolarHBondContact O-CB 3.36Å; D246-T250 PolarHBondContact O-N 2.72Å; D246-T250 PolarHBondContact O-OG1 3.38Å
247	R	79	Confident	76.1	Confident	119 Å²	119	76.1 Å²	76.1	45%	0.449	40%	0.403	S	S	.	.	H	α-helix	trans	-68.3	-46.9	178.5	-171	-174.1	-178.7	179.8	-6.1	109.5	Y90 D245 T250 C251	Y90-R247 WeakPolarHBondContact OH-CB 3.18Å; Y90-R247 WeakPolarHBondContact OH-CD 3.2Å; D245-R247 VanDerWaalsContact C-N 3.32Å; D245-R247 PolarHBondContact O-N 2.93Å; D245-R247 WeakPolarHBondContact OD1-CA 3.11Å; D245-R247 VanDerWaalsContact OD1-CB 3.3Å; D245-R247 WeakPolarHBondContact OD1-CB 3.38Å; D245-R247 PolarHBondContact OD1-N 2.98Å; R247-T250 PolarHBondContact O-N 3.5Å; R247-C251 WeakPolarHBondContact O-CB 3.35Å; R247-C251 PolarHBondContact O-N 3.25Å; R247-C251 PolarHBondContact O-SG 3.27Å
248	L	74.3	Confident	74.4	Confident	14 Å²	14	73.5 Å²	73.5	7%	0.073	40%	0.397	C	S	.	.	H	α-helix	trans	-64.6	-38.6	177	-69.2	177.3	0	0	0	112.6	L33 V87 Y90 Y244 D245 C251 R252	L33-L248 HydrophobicContact CD1-CD2 4.41Å; V87-L248 HydrophobicContact CG1-CD1 3.82Å; Y90-L248 HydrophobicContact CD1-CD1 3.62Å; Y90-L248 HydrophobicContact CD1-CD2 3.8Å; Y90-L248 HydrophobicContact CD1-CG 3.7Å; Y90-L248 HydrophobicContact CE1-CD1 3.84Å; Y90-L248 HydrophobicContact CE1-CD2 4.01Å; Y90-L248 HydrophobicContact CE1-CG 3.58Å; Y244-L248 HydrophobicContact CD2-CD1 4.24Å; Y244-L248 HydrophobicContact CE2-CD1 3.41Å; Y244-L248 VanDerWaalsContact CE2-CD1 3.41Å; D245-L248 HydrophobicContact CB-CB 4.06Å; D245-L248 HydrophobicContact CB-CD1 3.96Å; D245-L248 HydrophobicContact CB-CG 4.12Å; D245-L248 PolarHBondContact O-N 3.07Å; D245-L248 PolarHBondContact OD1-N 3.33Å; L248-C251 WeakPolarHBondContact O-CB 3.3Å; L248-C251 PolarHBondContact O-N 3Å; L248-R252 WeakPolarHBondContact O-CB 3.29Å; L248-R252 PolarHBondContact O-N 3.38Å
249	S	71.4	Confident	72.5	Confident	12 Å²	12	73.2 Å²	73.2	8%	0.084	39%	0.394	C	S	.	.	H	α-helix	trans	-64	-48.5	174.2	-74.3	0	0	0	0	111.3	D243 D245 C251 R252 D253	D243-S249 PolarHBondContact OD1-OG 3.43Å; D245-S249 WeakPolarHBondContact O-CB 3.36Å; D245-S249 PolarHBondContact O-N 3.23Å; D245-S249 PolarHBondContact O-OG 3.4Å; S249-C251 VanDerWaalsContact C-N 3.25Å; S249-C251 PolarHBondContact O-N 3.29Å; S249-R252 WeakPolarHBondContact O-CB 3.32Å; S249-R252 PolarHBondContact O-N 2.92Å; S249-D253 PolarHBondContact O-N 3.36Å
250	T	73.2	Confident	70.2	Confident	72 Å²	72	75.6 Å²	75.6	44%	0.442	40%	0.398	S	S	.	.	H	α-helix	trans	-56.3	-45	175.9	-60.5	0	0	0	0	111.2	D246 R247 D253 M254	D246-T250 WeakPolarHBondContact O-CB 3.36Å; D246-T250 PolarHBondContact O-N 2.72Å; D246-T250 PolarHBondContact O-OG1 3.38Å; R247-T250 PolarHBondContact O-N 3.5Å; T250-D253 PolarHBondContact O-N 3.31Å; T250-M254 HydrophobicContact CG2-CE 3.8Å; T250-M254 HydrophobicContact CG2-SD 4.35Å; T250-M254 WeakPolarHBondContact O-CG 3.42Å; T250-M254 PolarHBondContact O-N 3.04Å
251	C	68	Low	68.1	Low	12 Å²	12	77.9 Å²	77.9	8%	0.081	41%	0.413	C	S	.	.	H	α-helix	trans	-60.9	-47.6	177.4	-82.8	0	0	0	0	113.4	L33 R247 L248 S249 D253 M254 L255	L33-C251 HydrophobicContact CB-CB 4.3Å; L33-C251 HydrophobicContact CD1-CB 3.25Å; L33-C251 HydrophobicContact CD2-CB 3.17Å; L33-C251 WeakPolarHBondContact CD2-O 3.34Å; L33-C251 VanDerWaalsContact CD2-SG 3.56Å; L33-C251 HydrophobicContact CG-CB 3.64Å; R247-C251 WeakPolarHBondContact O-CB 3.35Å; R247-C251 PolarHBondContact O-N 3.25Å; R247-C251 PolarHBondContact O-SG 3.27Å; L248-C251 WeakPolarHBondContact O-CB 3.3Å; L248-C251 PolarHBondContact O-N 3Å; S249-C251 VanDerWaalsContact C-N 3.25Å; S249-C251 PolarHBondContact O-N 3.29Å; C251-D253 VanDerWaalsContact C-N 3.29Å; C251-D253 PolarHBondContact O-N 3.12Å; C251-M254 PolarHBondContact O-N 3.49Å; C251-L255 PolarHBondContact O-N 3.48Å
252	R	69	Low	66	Low	85 Å²	85	80.3 Å²	80.3	32%	0.321	43%	0.426	S	S	.	.	H	α-helix	trans	-56.5	-46	173.1	173.2	-160.7	67.8	-154.2	-1.3	110.3	P242 D243 L248 S249 L255 L256	P242-R252 PolarHBondContact O-NH1 3.23Å; D243-R252 IonicContact OD1-CZ 3.18Å; D243-R252 VanDerWaalsContact OD1-CZ 3.32Å; D243-R252 IonicContact OD1-NH1 2.72Å; D243-R252 PolarHBondContact OD1-NH1 2.88Å; D243-R252 IonicContact OD1-NH2 2.94Å; D243-R252 PolarHBondContact OD1-NH2 3.2Å; L248-R252 WeakPolarHBondContact O-CB 3.29Å; L248-R252 PolarHBondContact O-N 3.38Å; S249-R252 WeakPolarHBondContact O-CB 3.32Å; S249-R252 PolarHBondContact O-N 2.92Å; R252-L255 WeakPolarHBondContact O-CB 3.47Å; R252-L255 PolarHBondContact O-N 2.9Å; R252-L256 HydrophobicContact CG-CD1 4.07Å; R252-L256 VanDerWaalsContact O-CG 3.32Å; R252-L256 WeakPolarHBondContact O-CG 3.29Å; R252-L256 PolarHBondContact O-N 3.29Å
253	D	68.3	Low	64.2	Low	77 Å²	77	83.2 Å²	83.2	41%	0.412	43%	0.428	S	S	.	.	H	α-helix	trans	-68	-38.7	-177	-60.8	-12.1	0	0	0	111.5	S249 T250 C251 L256 A257	S249-D253 PolarHBondContact O-N 3.36Å; T250-D253 PolarHBondContact O-N 3.31Å; C251-D253 VanDerWaalsContact C-N 3.29Å; C251-D253 PolarHBondContact O-N 3.12Å; D253-L256 PolarHBondContact O-N 3.48Å; D253-A257 VanDerWaalsContact O-CB 3.32Å; D253-A257 WeakPolarHBondContact O-CB 3.47Å; D253-A257 PolarHBondContact O-N 3.47Å
254	M	66.1	Low	62.5	Low	128 Å²	128	82.2 Å²	82.2	63%	0.631	42%	0.422	S	S	*	.	H	α-helix	trans	-61.7	-43.4	171.2	-74.7	179.8	177.4	0	0	112.2	T250 C251 A257 S258	T250-M254 HydrophobicContact CG2-CE 3.8Å; T250-M254 HydrophobicContact CG2-SD 4.35Å; T250-M254 WeakPolarHBondContact O-CG 3.42Å; T250-M254 PolarHBondContact O-N 3.04Å; C251-M254 PolarHBondContact O-N 3.49Å; M254-A257 PolarHBondContact O-N 3.45Å; M254-S258 WeakPolarHBondContact O-CB 3.34Å; M254-S258 PolarHBondContact O-N 3.39Å
255	L	63.8	Low	60.8	Low	45 Å²	45	83.2 Å²	83.2	24%	0.236	44%	0.439	C	S	.	.	H	α-helix	trans	-60.7	-49.6	175.9	178.9	63.2	0	0	0	110.1	L30 P32 C251 R252 A257 S258 L259	L30-L255 HydrophobicContact CD2-CD2 4.04Å; P32-L255 HydrophobicContact CG-CD1 4.36Å; C251-L255 PolarHBondContact O-N 3.48Å; R252-L255 WeakPolarHBondContact O-CB 3.47Å; R252-L255 PolarHBondContact O-N 2.9Å; L255-A257 VanDerWaalsContact C-N 3.31Å; L255-A257 PolarHBondContact O-N 2.89Å; L255-S258 PolarHBondContact O-N 3Å; L255-S258 VanDerWaalsContact O-N 3.16Å; L255-S258 PolarHBondContact O-OG 3.29Å; L255-L259 WeakPolarHBondContact O-CG 3.46Å; L255-L259 PolarHBondContact O-N 3.44Å
256	L	64.1	Low	58.7	Low	75 Å²	75	87.8 Å²	87.8	39%	0.393	46%	0.459	S	S	.	.	H	α-helix	trans	-59.6	-39.6	177.7	-70.6	172.2	0	0	0	112.4	R252 D253 S258 L259	R252-L256 HydrophobicContact CG-CD1 4.07Å; R252-L256 VanDerWaalsContact O-CG 3.32Å; R252-L256 WeakPolarHBondContact O-CG 3.29Å; R252-L256 PolarHBondContact O-N 3.29Å; D253-L256 PolarHBondContact O-N 3.48Å; L256-S258 VanDerWaalsContact C-N 3.35Å; L256-L259 HydrophobicContact CD2-CD1 4.45Å; L256-L259 WeakPolarHBondContact O-CB 3.35Å; L256-L259 PolarHBondContact O-N 2.98Å
257	A	62.3	Low	56.6	Low	82 Å²	82	83 Å²	83	68%	0.678	43%	0.433	S	S	*	.	H	α-helix	trans	-71	-27.5	177.7	0	0	0	0	0	113.4	D253 M254 L255 L259	D253-A257 VanDerWaalsContact O-CB 3.32Å; D253-A257 WeakPolarHBondContact O-CB 3.47Å; D253-A257 PolarHBondContact O-N 3.47Å; M254-A257 PolarHBondContact O-N 3.45Å; L255-A257 VanDerWaalsContact C-N 3.31Å; L255-A257 PolarHBondContact O-N 2.89Å; A257-L259 PolarHBondContact O-N 3.49Å
258	S	57.4	Low	54.5	Low	85 Å²	85	81.6 Å²	81.6	59%	0.594	43%	0.434	S	S	*	.	H	α-helix	trans	-73.8	-12.2	175	76.1	0	0	0	0	113.6	M254 L255 L256 E260	M254-S258 WeakPolarHBondContact O-CB 3.34Å; M254-S258 PolarHBondContact O-N 3.39Å; L255-S258 PolarHBondContact O-N 3Å; L255-S258 VanDerWaalsContact O-N 3.16Å; L255-S258 PolarHBondContact O-OG 3.29Å; L256-S258 VanDerWaalsContact C-N 3.35Å; S258-E260 PolarHBondContact O-N 2.97Å
259	L	54	Low	52.6	Low	30 Å²	30	83.5 Å²	83.5	16%	0.157	44%	0.444	C	S	.	.	S	Bend	trans	-82.1	107.6	171.3	-52.5	-179.2	0	0	0	107.8	L255 L256 A257 Q267	L255-L259 WeakPolarHBondContact O-CG 3.46Å; L255-L259 PolarHBondContact O-N 3.44Å; L256-L259 HydrophobicContact CD2-CD1 4.45Å; L256-L259 WeakPolarHBondContact O-CB 3.35Å; L256-L259 PolarHBondContact O-N 2.98Å; A257-L259 PolarHBondContact O-N 3.49Å; L259-Q267 VanDerWaalsContact CB-OE1 3.24Å; L259-Q267 HydrophobicContact CD1-CB 4.03Å; L259-Q267 VanDerWaalsContact CD2-OE1 3.26Å
260	E	45.2	Very low	51.2	Low	139 Å²	139	86.8 Å²	86.8	65%	0.65	46%	0.458	S	S	*	.			trans	-51	145	-178.3	-72.5	173.4	153.2	0	0	112.9	S258 E262 R263 I264	S258-E260 PolarHBondContact O-N 2.97Å; E260-E262 VanDerWaalsContact C-N 3.28Å; E260-E262 PolarHBondContact O-N 3.1Å; E260-R263 WeakPolarHBondContact O-CA 3.09Å; E260-R263 WeakPolarHBondContact O-CB 3.4Å; E260-R263 PolarHBondContact O-N 2.92Å; E260-I264 PolarHBondContact O-N 3.33Å
261	T	46	Very low	49.6	Very low	119 Å²	119	88.8 Å²	88.8	73%	0.73	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-27.4	-167.1	28.8	0	0	0	0	116.8	I264	T261-I264 VanDerWaalsContact CA-CD1 3.49Å; T261-I264 HydrophobicContact CG2-CD1 3.71Å; T261-I264 WeakPolarHBondContact O-CB 3.14Å; T261-I264 WeakPolarHBondContact O-CG1 3.32Å
262	E	39.8	Very low	47.8	Very low	189 Å²	189	92.7 Å²	92.7	88%	0.883	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-13.3	176.2	-69.9	-175.2	169.6	0	0	113.3	E260	E260-E262 VanDerWaalsContact C-N 3.28Å; E260-E262 PolarHBondContact O-N 3.1Å
263	R	38.8	Very low	45.9	Very low	136 Å²	136	89.3 Å²	89.3	51%	0.513	47%	0.465	S	S	.	.	S	Bend	trans	-89.1	-3.3	168.7	-85.1	177.2	165	160.5	-1	112.9	E260 S265 E266 Q267	E260-R263 WeakPolarHBondContact O-CA 3.09Å; E260-R263 WeakPolarHBondContact O-CB 3.4Å; E260-R263 PolarHBondContact O-N 2.92Å; R263-S265 VanDerWaalsContact C-N 3.33Å; R263-S265 PolarHBondContact O-N 3.4Å; R263-E266 PolarHBondContact O-N 3.01Å; R263-Q267 HydrophobicContact CB-CG 4.02Å; R263-Q267 WeakPolarHBondContact O-CA 3.37Å; R263-Q267 WeakPolarHBondContact O-CB 3.47Å; R263-Q267 WeakPolarHBondContact O-CG 3.08Å; R263-Q267 PolarHBondContact O-N 3.15Å
264	I	39.7	Very low	43.9	Very low	70 Å²	70	92.1 Å²	92.1	36%	0.359	48%	0.478	S	S	.	.	H	α-helix	trans	-59.6	-41.7	-178.5	-72.3	178.3	0	0	0	111.5	E260 T261 L268	E260-I264 PolarHBondContact O-N 3.33Å; T261-I264 VanDerWaalsContact CA-CD1 3.49Å; T261-I264 HydrophobicContact CG2-CD1 3.71Å; T261-I264 WeakPolarHBondContact O-CB 3.14Å; T261-I264 WeakPolarHBondContact O-CG1 3.32Å; I264-L268 HydrophobicContact CG2-CD1 3.44Å; I264-L268 VanDerWaalsContact CG2-CD1 3.44Å; I264-L268 HydrophobicContact CG2-CG 4.24Å; I264-L268 WeakPolarHBondContact O-CB 3.27Å; I264-L268 VanDerWaalsContact O-CD1 3.27Å; I264-L268 WeakPolarHBondContact O-CD1 3.37Å; I264-L268 WeakPolarHBondContact O-CG 3.43Å; I264-L268 PolarHBondContact O-N 2.88Å
265	S	37.5	Very low	42.1	Very low	93 Å²	93	91.4 Å²	91.4	65%	0.65	48%	0.477	S	S	*	.	H	α-helix	trans	-71.9	-45.4	178.7	137.6	0	0	0	0	112	R263 D269	R263-S265 VanDerWaalsContact C-N 3.33Å; R263-S265 PolarHBondContact O-N 3.4Å; S265-D269 WeakPolarHBondContact O-CB 3.43Å; S265-D269 PolarHBondContact O-N 2.93Å; S265-D269 VanDerWaalsContact O-N 3.12Å
266	E	34.7	Very low	40.8	Very low	125 Å²	125	91.2 Å²	91.2	58%	0.584	48%	0.478	S	S	*	.	H	α-helix	trans	-73.9	-23	179.6	-73.1	-175.5	162.7	0	0	113.6	R263 D269 H270	R263-E266 PolarHBondContact O-N 3.01Å; E266-D269 CarbonylContact O-C 3.53Å; E266-D269 WeakPolarHBondContact O-CB 3.12Å; E266-H270 PolarHBondContact O-N 2.99Å; E266-H270 PolarHBondContact O-ND1 3.05Å
267	Q	36.2	Very low	39.8	Very low	36 Å²	36	91.4 Å²	91.4	17%	0.168	48%	0.484	C	S	.	.	H	α-helix	trans	-100.3	-25.5	-179.5	-64.7	-171.9	-43.9	0	0	114.4	L259 R263 H270 H271	L259-Q267 VanDerWaalsContact CB-OE1 3.24Å; L259-Q267 HydrophobicContact CD1-CB 4.03Å; L259-Q267 VanDerWaalsContact CD2-OE1 3.26Å; R263-Q267 HydrophobicContact CB-CG 4.02Å; R263-Q267 WeakPolarHBondContact O-CA 3.37Å; R263-Q267 WeakPolarHBondContact O-CB 3.47Å; R263-Q267 WeakPolarHBondContact O-CG 3.08Å; R263-Q267 PolarHBondContact O-N 3.15Å; Q267-H270 HydrophobicContact CB-CB 4.25Å; Q267-H270 HydrophobicContact CG-CB 4.38Å; Q267-H270 PolarHBondContact O-N 3.31Å; Q267-H270 VanDerWaalsContact O-N 3.11Å; Q267-H271 PolarHBondContact O-CD2 3.39Å; Q267-H271 VanDerWaalsContact O-CD2 3.25Å; Q267-H271 PolarHBondContact O-N 3.01Å; Q267-H271 VanDerWaalsContact O-N 3.16Å
268	L	35.4	Very low	39.2	Very low	90 Å²	90	91.3 Å²	91.3	47%	0.471	48%	0.483	S	S	.	.	H	α-helix	trans	-61.5	-36.8	156.7	-72.8	165.8	0	0	0	109.2	I264 H271 Y272	I264-L268 HydrophobicContact CG2-CD1 3.44Å; I264-L268 VanDerWaalsContact CG2-CD1 3.44Å; I264-L268 HydrophobicContact CG2-CG 4.24Å; I264-L268 WeakPolarHBondContact O-CB 3.27Å; I264-L268 VanDerWaalsContact O-CD1 3.27Å; I264-L268 WeakPolarHBondContact O-CD1 3.37Å; I264-L268 WeakPolarHBondContact O-CG 3.43Å; I264-L268 PolarHBondContact O-N 2.88Å; L268-H271 PolarHBondContact O-N 3.13Å; L268-Y272 WeakPolarHBondContact O-CB 3.26Å; L268-Y272 PolarHBondContact O-N 3.02Å
269	D	34.5	Very low	38.9	Very low	54 Å²	54	94.9 Å²	94.9	29%	0.289	49%	0.49	S	S	.	.	H	α-helix	trans	-65.6	-37.8	164.5	-110.8	9.3	0	0	0	112.7	S265 E266 H271 Y272 P273 I318	S265-D269 WeakPolarHBondContact O-CB 3.43Å; S265-D269 PolarHBondContact O-N 2.93Å; S265-D269 VanDerWaalsContact O-N 3.12Å; E266-D269 CarbonylContact O-C 3.53Å; E266-D269 WeakPolarHBondContact O-CB 3.12Å; D269-H271 PolarHBondContact O-N 3.21Å; D269-H271 VanDerWaalsContact O-N 3.09Å; D269-Y272 WeakPolarHBondContact CA-O 3.31Å; D269-Y272 CarbonylContact O-C 3.58Å; D269-Y272 PolarHBondContact O-N 3.3Å; D269-P273 HydrophobicContact CB-CB 4.49Å; D269-P273 WeakPolarHBondContact O-CA 3.43Å; D269-P273 WeakPolarHBondContact O-CB 3.45Å; D269-P273 WeakPolarHBondContact O-CD 3.37Å; D269-P273 WeakPolarHBondContact O-CG 3.35Å; D269-I318 HydrophobicContact CB-CD1 4.36Å
270	H	42.1	Very low	39	Very low	81 Å²	81	98.8 Å²	98.8	38%	0.375	51%	0.507	S	S	.	.	H	α-helix	trans	-61.7	-18.5	175.6	-88.3	63.9	0	0	0	114.3	E266 Q267 I318	E266-H270 PolarHBondContact O-N 2.99Å; E266-H270 PolarHBondContact O-ND1 3.05Å; Q267-H270 HydrophobicContact CB-CB 4.25Å; Q267-H270 HydrophobicContact CG-CB 4.38Å; Q267-H270 PolarHBondContact O-N 3.31Å; Q267-H270 VanDerWaalsContact O-N 3.11Å; H270-I318 HydrophobicContact CB-CD1 3.92Å; H270-I318 WeakPolarHBondContact ND1-CD1 2.76Å
271	H	37.8	Very low	39.4	Very low	114 Å²	114	93.2 Å²	93.2	53%	0.528	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-7	172.9	-64.8	-63.4	0	0	0	112.3	Q267 L268 D269	Q267-H271 PolarHBondContact O-CD2 3.39Å; Q267-H271 VanDerWaalsContact O-CD2 3.25Å; Q267-H271 PolarHBondContact O-N 3.01Å; Q267-H271 VanDerWaalsContact O-N 3.16Å; L268-H271 PolarHBondContact O-N 3.13Å; D269-H271 PolarHBondContact O-N 3.21Å; D269-H271 VanDerWaalsContact O-N 3.09Å
272	Y	30.6	Very low	40.2	Very low	94 Å²	94	89.9 Å²	89.9	37%	0.369	46%	0.459	S	S	.	.	S	Bend	trans	-160.5	76.4	-179.1	-65.2	-75.3	0	0	0	113.9	R216 L268 D269	R216-Y272 HydrophobicContact CB-CE1 3.7Å; L268-Y272 WeakPolarHBondContact O-CB 3.26Å; L268-Y272 PolarHBondContact O-N 3.02Å; D269-Y272 WeakPolarHBondContact CA-O 3.31Å; D269-Y272 CarbonylContact O-C 3.58Å; D269-Y272 PolarHBondContact O-N 3.3Å
273	P	30.1	Very low	41.4	Very low	14 Å²	14	84.8 Å²	84.8	9%	0.091	44%	0.438	C	S	.	.			trans	-97.4	156.1	-172.1	31.5	-25.9	0	0	0	115	D269 L275 D317 I318	D269-P273 HydrophobicContact CB-CB 4.49Å; D269-P273 WeakPolarHBondContact O-CA 3.43Å; D269-P273 WeakPolarHBondContact O-CB 3.45Å; D269-P273 WeakPolarHBondContact O-CD 3.37Å; D269-P273 WeakPolarHBondContact O-CG 3.35Å; P273-L275 PolarHBondContact O-N 3.49Å; P273-D317 HydrophobicContact CB-CB 4.44Å; P273-D317 WeakPolarHBondContact CD-OD2 3.45Å; P273-D317 VanDerWaalsContact CG-C 3.48Å; P273-D317 HydrophobicContact CG-CB 2.97Å; P273-D317 WeakPolarHBondContact CG-OD1 3.47Å; P273-I318 HydrophobicContact CB-CD1 4.33Å; P273-I318 HydrophobicContact CB-CG1 3.78Å; P273-I318 HydrophobicContact CG-CG1 3.99Å
274	I	25.9	Very low	42.4	Very low	135 Å²	135	78.3 Å²	78.3	69%	0.692	41%	0.413	S	S	*	.			trans	-66.6	121.9	167.5	-59.7	169.1	0	0	0	108.7	P276	I274-P276 WeakPolarHBondContact O-CD 3.44Å
275	L	28.5	Very low	43.7	Very low	114 Å²	114	75.1 Å²	75.1	60%	0.597	40%	0.397	S	S	*	.			trans	-59.5	112.5	171	-159.9	101.5	0	0	0	108.7	P273 T313	P273-L275 PolarHBondContact O-N 3.49Å; L275-T313 HydrophobicContact CD1-CG2 4.31Å
276	P	35.2	Very low	45.1	Very low	40 Å²	40	73.8 Å²	73.8	26%	0.26	38%	0.381	S	S	.	.			trans	-63.3	152	161.4	27.9	-30.1	0	0	0	107.9	I274 A278 Q280	I274-P276 WeakPolarHBondContact O-CD 3.44Å; P276-A278 PolarHBondContact O-N 2.84Å; P276-Q280 HydrophobicContact CB-CB 4.35Å
277	P	44.9	Very low	46.7	Very low	80 Å²	80	71 Å²	71	52%	0.519	37%	0.368	S	S	.	.			trans	-50.3	137.8	178.1	-22.8	31.3	0	0	0	110	E279 Q280	P277-E279 PolarHBondContact O-N 3.31Å; P277-Q280 PolarHBondContact O-N 3.24Å
278	A	48.8	Very low	48	Very low	79 Å²	79	69.6 Å²	69.6	65%	0.653	36%	0.362	S	S	*	.	H	α-helix	trans	-47.2	-31	-175.6	0	0	0	0	0	113.4	P276 Q280 L281 L282	P276-A278 PolarHBondContact O-N 2.84Å; A278-Q280 PolarHBondContact O-N 3.41Å; A278-L281 PolarHBondContact O-N 2.83Å; A278-L282 WeakPolarHBondContact O-CB 3.36Å; A278-L282 PolarHBondContact O-N 3.24Å
279	E	52.2	Low	49.5	Very low	160 Å²	160	66.1 Å²	66.1	75%	0.748	34%	0.344	S	S	*	.	H	α-helix	trans	-56.7	-40.2	174.5	-62.9	179.5	179.3	0	0	114.1	P277 L283	P277-E279 PolarHBondContact O-N 3.31Å; E279-L283 VanDerWaalsContact O-CB 3.31Å; E279-L283 WeakPolarHBondContact O-CB 3.49Å; E279-L283 PolarHBondContact O-N 3.06Å
280	Q	54.4	Low	51.1	Low	113 Å²	113	69.7 Å²	69.7	53%	0.528	36%	0.359	S	S	.	.	H	α-helix	trans	-73.9	-37.4	-178.3	-71.5	-172.9	2.9	0	0	112.8	P276 P277 A278 A284	P276-Q280 HydrophobicContact CB-CB 4.35Å; P277-Q280 PolarHBondContact O-N 3.24Å; A278-Q280 PolarHBondContact O-N 3.41Å; Q280-A284 WeakPolarHBondContact O-CB 3.15Å; Q280-A284 PolarHBondContact O-N 3.02Å
281	L	54	Low	52.2	Low	21 Å²	21	67.4 Å²	67.4	11%	0.11	35%	0.352	C	S	.	.	H	α-helix	trans	-68.3	-44.9	175.5	-178	67.3	0	0	0	110.3	A278 L283 A284 V285 A309 T313 L323	A278-L281 PolarHBondContact O-N 2.83Å; L281-L283 VanDerWaalsContact C-N 3.31Å; L281-L283 PolarHBondContact O-N 3.29Å; L281-A284 PolarHBondContact O-N 3.31Å; L281-V285 VanDerWaalsContact O-CG2 3.32Å; L281-V285 WeakPolarHBondContact O-CG2 2.96Å; L281-V285 PolarHBondContact O-N 2.96Å; L281-A309 HydrophobicContact CG-CB 4.48Å; L281-T313 WeakPolarHBondContact CD2-OG1 3.31Å; L281-L323 HydrophobicContact CD1-CD1 4.2Å
282	L	63.3	Low	53.2	Low	50 Å²	50	62.8 Å²	62.8	26%	0.262	33%	0.332	S	S	.	.	H	α-helix	trans	-56.6	-48.1	175.2	-176.1	64.9	0	0	0	110.5	A278 A284 V285 E286 V305 A309	A278-L282 WeakPolarHBondContact O-CB 3.36Å; A278-L282 PolarHBondContact O-N 3.24Å; L282-A284 PolarHBondContact O-N 2.66Å; L282-V285 PolarHBondContact O-N 2.92Å; L282-E286 HydrophobicContact CG-CG 4.42Å; L282-E286 WeakPolarHBondContact O-CB 3.28Å; L282-E286 VanDerWaalsContact O-CG 3.3Å; L282-E286 WeakPolarHBondContact O-CG 3.31Å; L282-E286 PolarHBondContact O-N 3.26Å; L282-V305 HydrophobicContact CD1-CG1 3.97Å; L282-A309 HydrophobicContact CD1-CB 4.21Å
283	L	64.5	Low	54.8	Low	81 Å²	81	58.4 Å²	58.4	42%	0.424	32%	0.315	S	S	.	.	H	α-helix	trans	-59.6	-42.5	177.3	-176.4	66.8	0	0	0	112.7	E279 L281 V285 E286 Q287	E279-L283 VanDerWaalsContact O-CB 3.31Å; E279-L283 WeakPolarHBondContact O-CB 3.49Å; E279-L283 PolarHBondContact O-N 3.06Å; L281-L283 VanDerWaalsContact C-N 3.31Å; L281-L283 PolarHBondContact O-N 3.29Å; L283-V285 VanDerWaalsContact C-N 3.34Å; L283-E286 WeakPolarHBondContact O-CB 3.29Å; L283-E286 PolarHBondContact O-N 2.9Å; L283-Q287 HydrophobicContact CD1-CG 4.4Å; L283-Q287 HydrophobicContact CG-CG 4.47Å; L283-Q287 WeakPolarHBondContact O-CB 3.32Å; L283-Q287 VanDerWaalsContact O-CG 3.23Å; L283-Q287 WeakPolarHBondContact O-CG 3.47Å; L283-Q287 PolarHBondContact O-N 3.39Å
284	A	59.8	Low	56.6	Low	0 Å²	0	61.7 Å²	61.7	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-66.8	-37.7	179.5	0	0	0	0	0	111.9	Q280 L281 L282 T288 T320 L323 L324	Q280-A284 WeakPolarHBondContact O-CB 3.15Å; Q280-A284 PolarHBondContact O-N 3.02Å; L281-A284 PolarHBondContact O-N 3.31Å; L282-A284 PolarHBondContact O-N 2.66Å; A284-T288 WeakPolarHBondContact O-CB 3.27Å; A284-T288 PolarHBondContact O-N 3.02Å; A284-T288 PolarHBondContact O-OG1 3.24Å; A284-T320 HydrophobicContact CB-CG2 3.98Å; A284-L323 HydrophobicContact CB-CB 3.92Å; A284-L323 HydrophobicContact CB-CD1 4.21Å; A284-L324 HydrophobicContact CB-CD2 4.2Å; A284-L324 HydrophobicContact CB-CG 4.23Å
285	V	66.6	Low	58.5	Low	4 Å²	4	61.8 Å²	61.8	2%	0.024	34%	0.342	C	S	.	.	H	α-helix	trans	-68.7	-43.7	173.6	177.8	0	0	0	0	110.6	L281 L282 L283 Q287 T288 C289 V305 M308 A309 L312 L323	L281-V285 VanDerWaalsContact O-CG2 3.32Å; L281-V285 WeakPolarHBondContact O-CG2 2.96Å; L281-V285 PolarHBondContact O-N 2.96Å; L282-V285 PolarHBondContact O-N 2.92Å; L283-V285 VanDerWaalsContact C-N 3.34Å; V285-Q287 PolarHBondContact O-N 3.19Å; V285-T288 PolarHBondContact O-N 3.39Å; V285-C289 VanDerWaalsContact O-CB 3.28Å; V285-C289 WeakPolarHBondContact O-CB 3.36Å; V285-C289 PolarHBondContact O-N 2.81Å; V285-C289 PolarHBondContact O-SG 3.39Å; V285-C289 VanDerWaalsContact O-SG 3.35Å; V285-V305 HydrophobicContact CB-CG1 4.4Å; V285-V305 HydrophobicContact CG1-CG1 3.92Å; V285-V305 WeakPolarHBondContact CG1-O 3.45Å; V285-M308 HydrophobicContact CG1-CB 3.85Å; V285-A309 HydrophobicContact CB-CB 4.34Å; V285-A309 HydrophobicContact CG2-CB 4.06Å; V285-L312 HydrophobicContact CG2-CD1 3.66Å; V285-L323 HydrophobicContact CG2-CD1 4.25Å
286	E	67.9	Low	60.3	Low	65 Å²	65	61.2 Å²	61.2	30%	0.304	34%	0.336	S	S	.	.	H	α-helix	trans	-54.7	-53	173.3	-79.3	175	-179.2	0	0	111	L282 L283 T288 C289 Q290 V305	L282-E286 HydrophobicContact CG-CG 4.42Å; L282-E286 WeakPolarHBondContact O-CB 3.28Å; L282-E286 VanDerWaalsContact O-CG 3.3Å; L282-E286 WeakPolarHBondContact O-CG 3.31Å; L282-E286 PolarHBondContact O-N 3.26Å; L283-E286 WeakPolarHBondContact O-CB 3.29Å; L283-E286 PolarHBondContact O-N 2.9Å; E286-T288 VanDerWaalsContact C-N 3.32Å; E286-T288 PolarHBondContact O-N 2.95Å; E286-C289 PolarHBondContact O-N 3.44Å; E286-Q290 WeakPolarHBondContact O-CB 3.42Å; E286-Q290 VanDerWaalsContact O-CG 3.23Å; E286-Q290 WeakPolarHBondContact O-CG 3.4Å; E286-Q290 PolarHBondContact O-N 3.43Å; E286-V305 HydrophobicContact CB-CG1 4.22Å; E286-V305 HydrophobicContact CG-CG1 3.41Å; E286-V305 VanDerWaalsContact CG-CG1 3.41Å
287	Q	68.3	Low	62.3	Low	66 Å²	66	62.9 Å²	62.9	31%	0.308	36%	0.36	S	S	.	.	H	α-helix	trans	-63.4	-38.5	-179.1	-69.9	174.3	-9.3	0	0	112	L283 V285 Q290 S291 A327	L283-Q287 HydrophobicContact CD1-CG 4.4Å; L283-Q287 HydrophobicContact CG-CG 4.47Å; L283-Q287 WeakPolarHBondContact O-CB 3.32Å; L283-Q287 VanDerWaalsContact O-CG 3.23Å; L283-Q287 WeakPolarHBondContact O-CG 3.47Å; L283-Q287 PolarHBondContact O-N 3.39Å; V285-Q287 PolarHBondContact O-N 3.19Å; Q287-Q290 PolarHBondContact O-N 3.18Å; Q287-S291 WeakPolarHBondContact O-CB 3.02Å; Q287-S291 PolarHBondContact O-N 2.92Å; Q287-A327 HydrophobicContact CB-CB 3.67Å
288	T	62.8	Low	63.7	Low	7 Å²	7	64.3 Å²	64.3	4%	0.043	36%	0.36	C	S	.	.	H	α-helix	trans	-66.9	-46.8	175.9	-61.1	0	0	0	0	110.8	W7 A284 V285 E286 Q290 S291 V292 L323 F326	W7-T288 HydrophobicContact CZ3-CG2 4.48Å; A284-T288 WeakPolarHBondContact O-CB 3.27Å; A284-T288 PolarHBondContact O-N 3.02Å; A284-T288 PolarHBondContact O-OG1 3.24Å; V285-T288 PolarHBondContact O-N 3.39Å; E286-T288 VanDerWaalsContact C-N 3.32Å; E286-T288 PolarHBondContact O-N 2.95Å; T288-Q290 VanDerWaalsContact C-N 3.28Å; T288-Q290 PolarHBondContact O-N 2.94Å; T288-S291 PolarHBondContact O-N 2.66Å; T288-V292 HydrophobicContact CG2-CG2 4.14Å; T288-V292 WeakPolarHBondContact O-CB 3.28Å; T288-V292 WeakPolarHBondContact O-CG2 3.45Å; T288-V292 PolarHBondContact O-N 3.32Å; T288-L323 HydrophobicContact CG2-CD2 3.99Å; T288-L323 WeakPolarHBondContact OG1-CD2 3.44Å; T288-F326 HydrophobicContact CG2-CD1 4.12Å
289	C	66.8	Low	65.1	Low	16 Å²	16	67.4 Å²	67.4	11%	0.108	37%	0.371	C	S	.	.	H	α-helix	trans	-59.6	-39.1	174.2	-76.8	0	0	0	0	111.6	V285 E286 G293 F300 V305	V285-C289 VanDerWaalsContact O-CB 3.28Å; V285-C289 WeakPolarHBondContact O-CB 3.36Å; V285-C289 PolarHBondContact O-N 2.81Å; V285-C289 PolarHBondContact O-SG 3.39Å; V285-C289 VanDerWaalsContact O-SG 3.35Å; E286-C289 PolarHBondContact O-N 3.44Å; C289-G293 WeakPolarHBondContact O-CA 3.32Å; C289-G293 PolarHBondContact O-N 2.96Å; C289-F300 HydrophobicContact CB-CB 4.22Å; C289-F300 HydrophobicContact CB-CD2 3.68Å; C289-F300 HydrophobicContact CB-CE2 4.33Å; C289-F300 HydrophobicContact CB-CG 4.11Å; C289-F300 WeakPolarHBondContact O-CD2 3.35Å; C289-F300 WeakPolarHBondContact O-CE2 3.48Å; C289-V305 HydrophobicContact CB-CG2 3.95Å
290	Q	69.2	Low	66.1	Low	129 Å²	129	61.7 Å²	61.7	60%	0.603	34%	0.344	S	S	*	.	H	α-helix	trans	-66.3	-49	175.7	-75.3	172.1	6.6	0	0	112	E286 Q287 T288 G293 A294	E286-Q290 WeakPolarHBondContact O-CB 3.42Å; E286-Q290 VanDerWaalsContact O-CG 3.23Å; E286-Q290 WeakPolarHBondContact O-CG 3.4Å; E286-Q290 PolarHBondContact O-N 3.43Å; Q287-Q290 PolarHBondContact O-N 3.18Å; T288-Q290 VanDerWaalsContact C-N 3.28Å; T288-Q290 PolarHBondContact O-N 2.94Å; Q290-G293 PolarHBondContact O-N 2.83Å; Q290-A294 VanDerWaalsContact O-CB 3.29Å; Q290-A294 WeakPolarHBondContact O-CB 3.2Å; Q290-A294 PolarHBondContact O-N 3.41Å
291	S	63.8	Low	67.2	Low	33 Å²	33	59.2 Å²	59.2	23%	0.231	34%	0.339	C	S	.	.	H	α-helix	trans	-59	-51.9	178.1	174	0	0	0	0	111	Q287 T288 G293 A294 E295	Q287-S291 WeakPolarHBondContact O-CB 3.02Å; Q287-S291 PolarHBondContact O-N 2.92Å; T288-S291 PolarHBondContact O-N 2.66Å; S291-G293 VanDerWaalsContact C-N 3.31Å; S291-G293 PolarHBondContact O-N 3.03Å; S291-A294 PolarHBondContact O-N 3.17Å; S291-E295 PolarHBondContact O-N 3.23Å
292	V	58.8	Low	68.2	Low	18 Å²	18	64.5 Å²	64.5	11%	0.109	37%	0.367	C	S	.	.	H	α-helix	trans	-63.2	-37.8	178.2	169.9	0	0	0	0	111.7	Y15 T288 Q296 F300 F326	Y15-V292 HydrophobicContact CE2-CG1 3.9Å; Y15-V292 WeakPolarHBondContact OH-CG1 3.15Å; T288-V292 HydrophobicContact CG2-CG2 4.14Å; T288-V292 WeakPolarHBondContact O-CB 3.28Å; T288-V292 WeakPolarHBondContact O-CG2 3.45Å; T288-V292 PolarHBondContact O-N 3.32Å; V292-Q296 VanDerWaalsContact O-CG 3.26Å; V292-Q296 WeakPolarHBondContact O-CG 3.35Å; V292-Q296 PolarHBondContact O-N 2.87Å; V292-F300 HydrophobicContact CB-CE2 4.43Å; V292-F300 HydrophobicContact CG1-CE2 4.11Å; V292-F300 HydrophobicContact CG1-CZ 4.09Å; V292-F326 HydrophobicContact CG2-CE1 3.8Å
293	G	64.9	Low	68.5	Low	1 Å²	1	66.1 Å²	66.1	1%	0.01	38%	0.383	C	S	.	.	H	α-helix	trans	-66.6	-44.5	176	0	0	0	0	0	112.1	C289 Q290 S291 Q296 G297 Q298	C289-G293 WeakPolarHBondContact O-CA 3.32Å; C289-G293 PolarHBondContact O-N 2.96Å; Q290-G293 PolarHBondContact O-N 2.83Å; S291-G293 VanDerWaalsContact C-N 3.31Å; S291-G293 PolarHBondContact O-N 3.03Å; G293-Q296 CarbonylContact O-C 3.48Å; G293-Q296 PolarHBondContact O-N 3.35Å; G293-Q296 VanDerWaalsContact O-N 3.12Å; G293-G297 PolarHBondContact O-N 3.02Å; G293-Q298 CarbonylContact C-O 3.1Å; G293-Q298 WeakPolarHBondContact CA-O 3.15Å; G293-Q298 PolarHBondContact O-N 2.79Å; G293-Q298 VanDerWaalsContact O-O 3.06Å
294	A	69	Low	68.8	Low	84 Å²	84	63.6 Å²	63.6	69%	0.694	37%	0.368	S	S	*	.	H	α-helix	trans	-62.3	-43.1	177.2	0	0	0	0	0	112.1	Q290 S291 Q296 G297	Q290-A294 VanDerWaalsContact O-CB 3.29Å; Q290-A294 WeakPolarHBondContact O-CB 3.2Å; Q290-A294 PolarHBondContact O-N 3.41Å; S291-A294 PolarHBondContact O-N 3.17Å; A294-Q296 PolarHBondContact O-N 2.84Å; A294-G297 PolarHBondContact O-N 3.2Å
295	E	65.8	Low	69.1	Low	137 Å²	137	64 Å²	64	64%	0.64	37%	0.371	S	S	*	.	H	α-helix	trans	-59.8	-28.1	174.5	-74.5	-174.4	170.6	0	0	113.1	S291	S291-E295 PolarHBondContact O-N 3.23Å
296	Q	65.6	Low	69.1	Low	101 Å²	101	66.3 Å²	66.3	47%	0.472	39%	0.387	S	S	.	.	H	α-helix	trans	-109.4	-1.3	-172.8	-60.9	-66.9	-32.5	0	0	113.9	Y15 V292 G293 A294 Q298	Y15-Q296 HydrophobicContact CE1-CG 3.83Å; V292-Q296 VanDerWaalsContact O-CG 3.26Å; V292-Q296 WeakPolarHBondContact O-CG 3.35Å; V292-Q296 PolarHBondContact O-N 2.87Å; G293-Q296 CarbonylContact O-C 3.48Å; G293-Q296 PolarHBondContact O-N 3.35Å; G293-Q296 VanDerWaalsContact O-N 3.12Å; A294-Q296 PolarHBondContact O-N 2.84Å; Q296-Q298 VanDerWaalsContact C-N 3.29Å; Q296-Q298 HydrophobicContact CB-CG 4.43Å; Q296-Q298 PolarHBondContact O-N 3.49Å
297	G	77.6	Confident	68.7	Low	75 Å²	75	64.1 Å²	64.1	77%	0.773	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	32.3	-172.9	0	0	0	0	0	113.6	G293 A294	G293-G297 PolarHBondContact O-N 3.02Å; A294-G297 PolarHBondContact O-N 3.2Å
298	Q	73.3	Confident	68.4	Low	111 Å²	111	61.6 Å²	61.6	52%	0.519	37%	0.368	S	S	.	.			trans	-122.7	152.5	179.9	-65.5	-172.8	-5.7	0	0	111.3	G293 Q296	G293-Q298 CarbonylContact C-O 3.1Å; G293-Q298 WeakPolarHBondContact CA-O 3.15Å; G293-Q298 PolarHBondContact O-N 2.79Å; G293-Q298 VanDerWaalsContact O-O 3.06Å; Q296-Q298 VanDerWaalsContact C-N 3.29Å; Q296-Q298 HydrophobicContact CB-CG 4.43Å; Q296-Q298 PolarHBondContact O-N 3.49Å
299	T	77.6	Confident	68.5	Low	143 Å²	143	61.6 Å²	61.6	88%	0.877	37%	0.369	S	S	*	.			trans	-116.3	134.7	168.7	47	0	0	0	0	109.3
300	F	73.6	Confident	68	Low	40 Å²	40	66.1 Å²	66.1	18%	0.175	39%	0.392	C	S	.	.			trans	-89.3	143.1	173.3	-62	-84.2	0	0	0	109.1	C289 V292 F304 V305	C289-F300 HydrophobicContact CB-CB 4.22Å; C289-F300 HydrophobicContact CB-CD2 3.68Å; C289-F300 HydrophobicContact CB-CE2 4.33Å; C289-F300 HydrophobicContact CB-CG 4.11Å; C289-F300 WeakPolarHBondContact O-CD2 3.35Å; C289-F300 WeakPolarHBondContact O-CE2 3.48Å; V292-F300 HydrophobicContact CB-CE2 4.43Å; V292-F300 HydrophobicContact CG1-CE2 4.11Å; V292-F300 HydrophobicContact CG1-CZ 4.09Å; F300-F304 HydrophobicContact CB-CD1 3.72Å; F300-F304 HydrophobicContact CB-CE1 4.33Å; F300-F304 HydrophobicContact CB-CG 4.36Å; F300-F304 AromaticContact CD1-CD1 3.54Å; F300-F304 HydrophobicContact CD1-CD1 3.54Å; F300-F304 AromaticContact CD1-CE1 3.42Å; F300-F304 HydrophobicContact CD1-CE1 3.42Å; F300-F304 VanDerWaalsContact CD1-CE1 3.42Å; F300-F304 HydrophobicContact CD1-CE2 4.44Å; F300-F304 HydrophobicContact CD1-CG 4.12Å; F300-F304 AromaticContact CD1-CZ 3.94Å; F300-F304 HydrophobicContact CD1-CZ 3.94Å; F300-F304 HydrophobicContact CE1-CD1 4.47Å; F300-F304 AromaticContact CE1-CE1 3.93Å; F300-F304 HydrophobicContact CE1-CE1 3.93Å; F300-F304 HydrophobicContact CE1-CZ 4.12Å; F300-F304 AromaticContact CG-CD1 3.9Å; F300-F304 HydrophobicContact CG-CD1 3.9Å; F300-F304 HydrophobicContact CG-CE1 4.01Å; F300-V305 HydrophobicContact CB-CG2 4.19Å
301	S	77.3	Confident	67.2	Low	62 Å²	62	60.3 Å²	60.3	43%	0.434	37%	0.366	S	S	.	.			trans	-72.3	151.2	175.2	60.9	0	0	0	0	111.1	S303 F304 V305	S301-S303 PolarHBondContact O-N 3.42Å; S301-S303 PolarHBondContact OG-OG 3.1Å; S301-F304 WeakPolarHBondContact O-CA 3.28Å; S301-F304 VanDerWaalsContact O-CB 3.29Å; S301-F304 WeakPolarHBondContact O-CB 3.48Å; S301-F304 PolarHBondContact O-N 3.33Å; S301-F304 WeakPolarHBondContact OG-CB 3.38Å; S301-F304 PolarHBondContact OG-N 2.84Å; S301-V305 WeakPolarHBondContact O-CG2 3.38Å; S301-V305 PolarHBondContact O-N 2.8Å
302	D	74.9	Confident	66.7	Low	132 Å²	132	58.8 Å²	58.8	71%	0.706	36%	0.355	S	S	*	.	H	α-helix	trans	-55.3	-37.4	174	-58.2	-15.7	0	0	0	111.5	F304 V305 C306	D302-F304 VanDerWaalsContact C-N 3.3Å; D302-F304 PolarHBondContact O-N 2.83Å; D302-V305 PolarHBondContact O-N 3.34Å; D302-C306 WeakPolarHBondContact O-CB 3.44Å; D302-C306 PolarHBondContact O-N 3.4Å; D302-C306 PolarHBondContact O-SG 2.86Å
303	S	70.8	Confident	66.2	Low	84 Å²	84	60.3 Å²	60.3	59%	0.587	36%	0.364	S	S	*	.	H	α-helix	trans	-60.9	-36.6	174.3	58.9	0	0	0	0	113.4	S301 A307	S301-S303 PolarHBondContact O-N 3.42Å; S301-S303 PolarHBondContact OG-OG 3.1Å; S303-A307 VanDerWaalsContact O-CB 3.24Å; S303-A307 WeakPolarHBondContact O-CB 3.29Å; S303-A307 PolarHBondContact O-N 2.88Å; S303-A307 VanDerWaalsContact O-N 3.13Å
304	F	69.6	Low	65.3	Low	27 Å²	27	60.5 Å²	60.5	12%	0.118	37%	0.366	C	S	.	.	H	α-helix	trans	-68.7	-46.1	175.9	171.7	-84	0	0	0	110.5	L67 V71 F300 S301 D302 A307 M308	L67-F304 HydrophobicContact CB-CE2 4.14Å; L67-F304 HydrophobicContact CD2-CE2 3.65Å; L67-F304 HydrophobicContact CD2-CZ 3.56Å; L67-F304 HydrophobicContact CG-CE2 4.44Å; V71-F304 HydrophobicContact CB-CD2 4.43Å; V71-F304 HydrophobicContact CG1-CD2 4.48Å; V71-F304 HydrophobicContact CG2-CD2 3.17Å; V71-F304 HydrophobicContact CG2-CE2 3.16Å; V71-F304 HydrophobicContact CG2-CG 4.11Å; V71-F304 HydrophobicContact CG2-CZ 4.12Å; F300-F304 HydrophobicContact CB-CD1 3.72Å; F300-F304 HydrophobicContact CB-CE1 4.33Å; F300-F304 HydrophobicContact CB-CG 4.36Å; F300-F304 AromaticContact CD1-CD1 3.54Å; F300-F304 HydrophobicContact CD1-CD1 3.54Å; F300-F304 AromaticContact CD1-CE1 3.42Å; F300-F304 HydrophobicContact CD1-CE1 3.42Å; F300-F304 VanDerWaalsContact CD1-CE1 3.42Å; F300-F304 HydrophobicContact CD1-CE2 4.44Å; F300-F304 HydrophobicContact CD1-CG 4.12Å; F300-F304 AromaticContact CD1-CZ 3.94Å; F300-F304 HydrophobicContact CD1-CZ 3.94Å; F300-F304 HydrophobicContact CE1-CD1 4.47Å; F300-F304 AromaticContact CE1-CE1 3.93Å; F300-F304 HydrophobicContact CE1-CE1 3.93Å; F300-F304 HydrophobicContact CE1-CZ 4.12Å; F300-F304 AromaticContact CG-CD1 3.9Å; F300-F304 HydrophobicContact CG-CD1 3.9Å; F300-F304 HydrophobicContact CG-CE1 4.01Å; S301-F304 WeakPolarHBondContact O-CA 3.28Å; S301-F304 VanDerWaalsContact O-CB 3.29Å; S301-F304 WeakPolarHBondContact O-CB 3.48Å; S301-F304 PolarHBondContact O-N 3.33Å; S301-F304 WeakPolarHBondContact OG-CB 3.38Å; S301-F304 PolarHBondContact OG-N 2.84Å; D302-F304 VanDerWaalsContact C-N 3.3Å; D302-F304 PolarHBondContact O-N 2.83Å; F304-A307 PolarHBondContact O-N 3.27Å; F304-M308 HydrophobicContact CD1-CG 4.04Å; F304-M308 HydrophobicContact CE1-CG 3.49Å; F304-M308 VanDerWaalsContact CE1-CG 3.49Å; F304-M308 HydrophobicContact CE2-CG 4.12Å; F304-M308 HydrophobicContact CZ-CG 3.49Å; F304-M308 VanDerWaalsContact CZ-CG 3.49Å; F304-M308 HydrophobicContact CZ-SD 4.05Å; F304-M308 WeakPolarHBondContact O-CB 3.37Å; F304-M308 WeakPolarHBondContact O-CG 3.17Å; F304-M308 PolarHBondContact O-N 3.29Å
305	V	67.3	Low	64.1	Low	8 Å²	8	57.5 Å²	57.5	5%	0.048	34%	0.337	C	S	.	.	H	α-helix	trans	-61.6	-48.2	-179.8	173.8	0	0	0	0	110.7	L282 V285 E286 C289 F300 S301 D302 A307 M308 A309	L282-V305 HydrophobicContact CD1-CG1 3.97Å; V285-V305 HydrophobicContact CB-CG1 4.4Å; V285-V305 HydrophobicContact CG1-CG1 3.92Å; V285-V305 WeakPolarHBondContact CG1-O 3.45Å; E286-V305 HydrophobicContact CB-CG1 4.22Å; E286-V305 HydrophobicContact CG-CG1 3.41Å; E286-V305 VanDerWaalsContact CG-CG1 3.41Å; C289-V305 HydrophobicContact CB-CG2 3.95Å; F300-V305 HydrophobicContact CB-CG2 4.19Å; S301-V305 WeakPolarHBondContact O-CG2 3.38Å; S301-V305 PolarHBondContact O-N 2.8Å; D302-V305 PolarHBondContact O-N 3.34Å; V305-A307 PolarHBondContact O-N 3.4Å; V305-M308 PolarHBondContact O-N 2.86Å; V305-A309 PolarHBondContact O-N 3.35Å
306	C	66.2	Low	63	Low	54 Å²	54	52.3 Å²	52.3	37%	0.365	32%	0.315	S	S	.	.	H	α-helix	trans	-60	-47.5	176.8	-69.8	0	0	0	0	111.6	D302 M308 A309 D310	D302-C306 WeakPolarHBondContact O-CB 3.44Å; D302-C306 PolarHBondContact O-N 3.4Å; D302-C306 PolarHBondContact O-SG 2.86Å; C306-M308 VanDerWaalsContact C-N 3.33Å; C306-M308 PolarHBondContact O-N 3.39Å; C306-A309 CarbonylContact O-C 3.48Å; C306-A309 WeakPolarHBondContact O-CA 3.12Å; C306-A309 WeakPolarHBondContact O-CB 3.4Å; C306-A309 PolarHBondContact O-N 3.49Å; C306-A309 VanDerWaalsContact O-N 3.1Å; C306-D310 VanDerWaalsContact O-CG 3.32Å; C306-D310 PolarHBondContact O-N 3.31Å
307	A	60.3	Low	61.7	Low	19 Å²	19	49.8 Å²	49.8	16%	0.157	31%	0.305	C	S	.	.	H	α-helix	trans	-68.4	-32.2	-179.3	0	0	0	0	0	112.9	V71 S303 F304 V305 D310 C311	V71-A307 HydrophobicContact CB-CB 4.22Å; V71-A307 HydrophobicContact CG1-CB 3.44Å; V71-A307 VanDerWaalsContact CG1-CB 3.44Å; V71-A307 WeakPolarHBondContact O-CB 3.49Å; S303-A307 VanDerWaalsContact O-CB 3.24Å; S303-A307 WeakPolarHBondContact O-CB 3.29Å; S303-A307 PolarHBondContact O-N 2.88Å; S303-A307 VanDerWaalsContact O-N 3.13Å; F304-A307 PolarHBondContact O-N 3.27Å; V305-A307 PolarHBondContact O-N 3.4Å; A307-D310 PolarHBondContact O-N 2.79Å; A307-C311 WeakPolarHBondContact O-CB 3.29Å; A307-C311 PolarHBondContact O-N 2.86Å
308	M	62.2	Low	59.8	Low	13 Å²	13	48.3 Å²	48.3	6%	0.064	28%	0.279	C	S	.	.	H	α-helix	trans	-63.4	-47.8	167.6	-80.5	-59.1	-54.8	0	0	110.4	L10 L70 V71 V285 F304 V305 C306 D310 C311 L312	L10-M308 HydrophobicContact CD2-CE 4.05Å; L70-M308 HydrophobicContact CB-SD 4.04Å; V71-M308 HydrophobicContact CG2-CG 4.29Å; V71-M308 HydrophobicContact CG2-SD 4.29Å; V285-M308 HydrophobicContact CG1-CB 3.85Å; F304-M308 HydrophobicContact CD1-CG 4.04Å; F304-M308 HydrophobicContact CE1-CG 3.49Å; F304-M308 VanDerWaalsContact CE1-CG 3.49Å; F304-M308 HydrophobicContact CE2-CG 4.12Å; F304-M308 HydrophobicContact CZ-CG 3.49Å; F304-M308 VanDerWaalsContact CZ-CG 3.49Å; F304-M308 HydrophobicContact CZ-SD 4.05Å; F304-M308 WeakPolarHBondContact O-CB 3.37Å; F304-M308 WeakPolarHBondContact O-CG 3.17Å; F304-M308 PolarHBondContact O-N 3.29Å; V305-M308 PolarHBondContact O-N 2.86Å; C306-M308 VanDerWaalsContact C-N 3.33Å; C306-M308 PolarHBondContact O-N 3.39Å; M308-D310 VanDerWaalsContact C-N 3.29Å; M308-D310 PolarHBondContact O-N 2.81Å; M308-C311 PolarHBondContact O-N 3.46Å; M308-L312 HydrophobicContact CE-CD1 4.48Å; M308-L312 HydrophobicContact CE-CD2 4.33Å; M308-L312 HydrophobicContact CE-CG 4.33Å; M308-L312 WeakPolarHBondContact O-CB 2.99Å; M308-L312 WeakPolarHBondContact O-CG 3.45Å; M308-L312 PolarHBondContact O-N 3.02Å
309	A	63.3	Low	58.2	Low	6 Å²	6	43.8 Å²	43.8	5%	0.05	26%	0.257	C	S	.	.	H	α-helix	trans	-56.9	-42.4	175.7	0	0	0	0	0	111.7	L281 L282 V285 V305 C306 L312 T313	L281-A309 HydrophobicContact CG-CB 4.48Å; L282-A309 HydrophobicContact CD1-CB 4.21Å; V285-A309 HydrophobicContact CB-CB 4.34Å; V285-A309 HydrophobicContact CG2-CB 4.06Å; V305-A309 PolarHBondContact O-N 3.35Å; C306-A309 CarbonylContact O-C 3.48Å; C306-A309 WeakPolarHBondContact O-CA 3.12Å; C306-A309 WeakPolarHBondContact O-CB 3.4Å; C306-A309 PolarHBondContact O-N 3.49Å; C306-A309 VanDerWaalsContact O-N 3.1Å; A309-L312 PolarHBondContact O-N 3.39Å; A309-T313 WeakPolarHBondContact O-CB 3.31Å; A309-T313 PolarHBondContact O-N 2.83Å; A309-T313 PolarHBondContact O-OG1 3.02Å
310	D	57.7	Low	56.3	Low	111 Å²	111	38 Å²	38	59%	0.594	22%	0.221	S	C	*	.	H	α-helix	trans	-64.2	-46.1	175.4	-67.3	-26	0	0	0	112.1	C306 A307 M308 L312 T313 S314	C306-D310 VanDerWaalsContact O-CG 3.32Å; C306-D310 PolarHBondContact O-N 3.31Å; A307-D310 PolarHBondContact O-N 2.79Å; M308-D310 VanDerWaalsContact C-N 3.29Å; M308-D310 PolarHBondContact O-N 2.81Å; D310-L312 VanDerWaalsContact C-N 3.32Å; D310-L312 PolarHBondContact O-N 2.87Å; D310-T313 WeakPolarHBondContact O-CB 3.39Å; D310-T313 PolarHBondContact O-N 2.96Å; D310-S314 PolarHBondContact O-N 2.88Å
311	C	51.9	Low	54.7	Low	8 Å²	8	41 Å²	41	5%	0.054	24%	0.243	C	C	.	.	H	α-helix	trans	-60.7	-42.4	176.4	-172.6	0	0	0	0	111.1	L70 A307 M308 S314 M315	L70-C311 PolarHBondContact O-SG 3.44Å; A307-C311 WeakPolarHBondContact O-CB 3.29Å; A307-C311 PolarHBondContact O-N 2.86Å; M308-C311 PolarHBondContact O-N 3.46Å; C311-S314 PolarHBondContact O-N 3.09Å; C311-S314 PolarHBondContact O-OG 3.33Å; C311-M315 WeakPolarHBondContact O-CG 3.23Å; C311-M315 PolarHBondContact O-N 3.38Å; C311-M315 VanDerWaalsContact SG-CE 3.55Å
312	L	52.3	Low	52.9	Low	1 Å²	1	40.6 Å²	40.6	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-67.7	-43.6	176.4	-66.3	-176.8	0	0	0	112	W7 V285 M308 A309 D310 S314 M315 V316 W319 L323	W7-L312 HydrophobicContact CH2-CD1 3.84Å; W7-L312 HydrophobicContact CZ2-CD1 4.03Å; V285-L312 HydrophobicContact CG2-CD1 3.66Å; M308-L312 HydrophobicContact CE-CD1 4.48Å; M308-L312 HydrophobicContact CE-CD2 4.33Å; M308-L312 HydrophobicContact CE-CG 4.33Å; M308-L312 WeakPolarHBondContact O-CB 2.99Å; M308-L312 WeakPolarHBondContact O-CG 3.45Å; M308-L312 PolarHBondContact O-N 3.02Å; A309-L312 PolarHBondContact O-N 3.39Å; D310-L312 VanDerWaalsContact C-N 3.32Å; D310-L312 PolarHBondContact O-N 2.87Å; L312-S314 PolarHBondContact O-N 3.42Å; L312-M315 HydrophobicContact CD2-CE 3.62Å; L312-M315 PolarHBondContact O-N 3.21Å; L312-V316 PolarHBondContact O-N 2.87Å; L312-V316 VanDerWaalsContact O-N 3.07Å; L312-W319 HydrophobicContact CD1-CE3 4.07Å; L312-W319 HydrophobicContact CD1-CZ3 4.45Å; L312-W319 HydrophobicContact CD2-CD2 4.28Å; L312-W319 HydrophobicContact CD2-CE3 3.28Å; L312-W319 HydrophobicContact CD2-CH2 3.91Å; L312-W319 HydrophobicContact CD2-CZ3 3.11Å; L312-W319 HydrophobicContact CG-CE3 4.17Å; L312-W319 HydrophobicContact CG-CZ3 4.34Å; L312-L323 HydrophobicContact CD1-CD1 4.27Å
313	T	49.3	Very low	51.2	Low	49 Å²	49	34.3 Å²	34.3	30%	0.301	20%	0.202	S	C	.	.	H	α-helix	trans	-53	-38.1	171	-52.2	0	0	0	0	110.7	L275 L281 A309 D310	L275-T313 HydrophobicContact CD1-CG2 4.31Å; L281-T313 WeakPolarHBondContact CD2-OG1 3.31Å; A309-T313 WeakPolarHBondContact O-CB 3.31Å; A309-T313 PolarHBondContact O-N 2.83Å; A309-T313 PolarHBondContact O-OG1 3.02Å; D310-T313 WeakPolarHBondContact O-CB 3.39Å; D310-T313 PolarHBondContact O-N 2.96Å
314	S	46.9	Very low	49.7	Very low	6 Å²	6	32.9 Å²	32.9	4%	0.042	19%	0.188	C	C	.	.	H	α-helix	trans	-77.6	-26.4	179	78	0	0	0	0	114.8	T76 D310 C311 L312	T76-S314 WeakPolarHBondContact CG2-OG 3.45Å; D310-S314 PolarHBondContact O-N 2.88Å; C311-S314 PolarHBondContact O-N 3.09Å; C311-S314 PolarHBondContact O-OG 3.33Å; L312-S314 PolarHBondContact O-N 3.42Å
315	M	42.7	Very low	48.3	Very low	20 Å²	20	34.1 Å²	34.1	10%	0.099	20%	0.203	C	C	.	.	H	α-helix	trans	-86.6	-39.3	-175.4	-77	-168.3	-65.7	0	0	112.6	T76 V79 C311 L312	T76-M315 HydrophobicContact CG2-CG 3.81Å; V79-M315 HydrophobicContact CB-SD 4.46Å; V79-M315 HydrophobicContact CG2-SD 3.98Å; C311-M315 WeakPolarHBondContact O-CG 3.23Å; C311-M315 PolarHBondContact O-N 3.38Å; C311-M315 VanDerWaalsContact SG-CE 3.55Å; L312-M315 HydrophobicContact CD2-CE 3.62Å; L312-M315 PolarHBondContact O-N 3.21Å
316	V	42.6	Very low	46.8	Very low	29 Å²	29	37 Å²	37	18%	0.176	22%	0.215	C	C	.	.			trans	177.9	130.6	-171.9	162.2	0	0	0	0	107.1	L312 W319	L312-V316 PolarHBondContact O-N 2.87Å; L312-V316 VanDerWaalsContact O-N 3.07Å; V316-W319 VanDerWaalsContact CG1-CD1 3.49Å; V316-W319 HydrophobicContact CG2-CD2 4.17Å; V316-W319 HydrophobicContact CG2-CG 4.25Å; V316-W319 HydrophobicContact CG2-CZ2 3.79Å
317	D	38.6	Very low	45.2	Very low	47 Å²	47	35.5 Å²	35.5	25%	0.251	21%	0.207	S	C	.	.	S	Bend	cis	61.1	63.3	42.8	-75.3	3.2	0	0	0	113.7	P273	P273-D317 HydrophobicContact CB-CB 4.44Å; P273-D317 WeakPolarHBondContact CD-OD2 3.45Å; P273-D317 VanDerWaalsContact CG-C 3.48Å; P273-D317 HydrophobicContact CG-CB 2.97Å; P273-D317 WeakPolarHBondContact CG-OD1 3.47Å
318	I	38.5	Very low	43.9	Very low	45 Å²	45	46.7 Å²	46.7	23%	0.231	25%	0.245	C	C	.	.			trans	98.1	55.9	-179.9	-40.2	-176.4	0	0	0	116	D269 H270 P273	D269-I318 HydrophobicContact CB-CD1 4.36Å; H270-I318 HydrophobicContact CB-CD1 3.92Å; H270-I318 WeakPolarHBondContact ND1-CD1 2.76Å; P273-I318 HydrophobicContact CB-CD1 4.33Å; P273-I318 HydrophobicContact CB-CG1 3.78Å; P273-I318 HydrophobicContact CG-CG1 3.99Å
319	W	37.8	Very low	43	Very low	16 Å²	16	48.4 Å²	48.4	6%	0.061	25%	0.254	C	S	.	.			trans	-104.5	-17.3	164.4	-80.4	28.9	0	0	0	113.9	R6 W7 L10 L312 V316 T321 D322 L323	R6-W319 HydrophobicContact CB-CZ2 4.02Å; W7-W319 HydrophobicContact CD2-CE3 4.33Å; W7-W319 HydrophobicContact CD2-CZ3 4.13Å; W7-W319 AromaticContact CE2-CE3 3.4Å; W7-W319 VanDerWaalsContact CE2-CE3 3.4Å; W7-W319 AromaticContact CE2-CZ3 3.63Å; W7-W319 HydrophobicContact CE3-CZ3 4.47Å; W7-W319 AromaticContact CH2-CE3 3.97Å; W7-W319 HydrophobicContact CH2-CE3 3.97Å; W7-W319 AromaticContact CH2-CZ3 3.91Å; W7-W319 HydrophobicContact CH2-CZ3 3.91Å; W7-W319 HydrophobicContact CZ2-CD2 4.23Å; W7-W319 AromaticContact CZ2-CE3 3.16Å; W7-W319 HydrophobicContact CZ2-CE3 3.16Å; W7-W319 AromaticContact CZ2-CZ3 3.49Å; W7-W319 HydrophobicContact CZ2-CZ3 3.49Å; W7-W319 VanDerWaalsContact CZ2-CZ3 3.49Å; W7-W319 HydrophobicContact CZ3-CZ3 4.39Å; W7-W319 AromaticContact NE1-CD2 3.98Å; W7-W319 AromaticContact NE1-CE3 3.64Å; L10-W319 HydrophobicContact CD2-CH2 4.33Å; L10-W319 HydrophobicContact CD2-CZ3 3.99Å; L312-W319 HydrophobicContact CD1-CE3 4.07Å; L312-W319 HydrophobicContact CD1-CZ3 4.45Å; L312-W319 HydrophobicContact CD2-CD2 4.28Å; L312-W319 HydrophobicContact CD2-CE3 3.28Å; L312-W319 HydrophobicContact CD2-CH2 3.91Å; L312-W319 HydrophobicContact CD2-CZ3 3.11Å; L312-W319 HydrophobicContact CG-CE3 4.17Å; L312-W319 HydrophobicContact CG-CZ3 4.34Å; V316-W319 VanDerWaalsContact CG1-CD1 3.49Å; V316-W319 HydrophobicContact CG2-CD2 4.17Å; V316-W319 HydrophobicContact CG2-CG 4.25Å; V316-W319 HydrophobicContact CG2-CZ2 3.79Å; W319-T321 PolarHBondContact O-N 2.77Å; W319-D322 PolarHBondContact O-N 3.13Å; W319-L323 HydrophobicContact CB-CD1 4.02Å; W319-L323 WeakPolarHBondContact O-CB 3.44Å; W319-L323 WeakPolarHBondContact O-CG 3.3Å; W319-L323 PolarHBondContact O-N 3.37Å
320	T	39.2	Very low	41.9	Very low	20 Å²	20	50.6 Å²	50.6	12%	0.123	27%	0.265	C	S	.	.	H	α-helix	trans	-64.2	-45.8	-167.4	-29.8	0	0	0	0	113.1	A284 D322 L323 L324	A284-T320 HydrophobicContact CB-CG2 3.98Å; T320-D322 VanDerWaalsContact C-N 3.32Å; T320-D322 PolarHBondContact O-N 2.87Å; T320-L323 WeakPolarHBondContact O-CB 3.4Å; T320-L323 PolarHBondContact O-N 3.43Å; T320-L324 WeakPolarHBondContact O-CB 3.39Å; T320-L324 VanDerWaalsContact O-CG 3.27Å; T320-L324 WeakPolarHBondContact O-CG 3.45Å; T320-L324 PolarHBondContact O-N 2.77Å
321	T	39.9	Very low	41	Very low	103 Å²	103	47.3 Å²	47.3	63%	0.632	25%	0.246	S	C	*	.	H	α-helix	trans	-65.8	-36.6	179.7	-39.3	0	0	0	0	111.7	W319 A325	W319-T321 PolarHBondContact O-N 2.77Å; T321-A325 PolarHBondContact O-N 3.49Å; T321-A325 VanDerWaalsContact O-N 3.14Å
322	D	39.9	Very low	40.4	Very low	55 Å²	55	49.6 Å²	49.6	29%	0.294	26%	0.258	S	S	.	.	H	α-helix	trans	-78	-32.2	178.8	-80	-15.4	0	0	0	112.6	A3 W319 T320 A325 F326	A3-D322 WeakPolarHBondContact CA-OD2 3.23Å; A3-D322 HydrophobicContact CB-CB 3.61Å; A3-D322 WeakPolarHBondContact CB-OD2 3.38Å; A3-D322 PolarHBondContact N-OD2 3.25Å; W319-D322 PolarHBondContact O-N 3.13Å; T320-D322 VanDerWaalsContact C-N 3.32Å; T320-D322 PolarHBondContact O-N 2.87Å; D322-A325 PolarHBondContact O-N 3.23Å; D322-F326 PolarHBondContact O-N 3.18Å
323	L	37.9	Very low	39.6	Very low	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60.2	-50.3	167.9	-90.7	156.4	0	0	0	110.8	W7 L281 A284 V285 T288 L312 W319 T320 A325 F326 A327	W7-L323 HydrophobicContact CH2-CD2 3.43Å; W7-L323 VanDerWaalsContact CH2-CD2 3.43Å; W7-L323 HydrophobicContact CH2-CG 4.15Å; W7-L323 HydrophobicContact CZ2-CD1 3.87Å; W7-L323 HydrophobicContact CZ2-CD2 3.1Å; W7-L323 HydrophobicContact CZ2-CG 3.31Å; W7-L323 HydrophobicContact CZ3-CD2 4.44Å; L281-L323 HydrophobicContact CD1-CD1 4.2Å; A284-L323 HydrophobicContact CB-CB 3.92Å; A284-L323 HydrophobicContact CB-CD1 4.21Å; V285-L323 HydrophobicContact CG2-CD1 4.25Å; T288-L323 HydrophobicContact CG2-CD2 3.99Å; T288-L323 WeakPolarHBondContact OG1-CD2 3.44Å; L312-L323 HydrophobicContact CD1-CD1 4.27Å; W319-L323 HydrophobicContact CB-CD1 4.02Å; W319-L323 WeakPolarHBondContact O-CB 3.44Å; W319-L323 WeakPolarHBondContact O-CG 3.3Å; W319-L323 PolarHBondContact O-N 3.37Å; T320-L323 WeakPolarHBondContact O-CB 3.4Å; T320-L323 PolarHBondContact O-N 3.43Å; L323-A325 PolarHBondContact O-N 2.9Å; L323-F326 PolarHBondContact O-N 3.3Å; L323-A327 WeakPolarHBondContact O-CB 3.49Å; L323-A327 PolarHBondContact O-N 3.04Å
324	L	40.2	Very low	39	Very low	54 Å²	54	52.9 Å²	52.9	28%	0.283	27%	0.272	S	S	.	.	H	α-helix	trans	-63	-26.7	178.5	-72.7	171.4	0	0	0	112.7	A284 T320 R328	A284-L324 HydrophobicContact CB-CD2 4.2Å; A284-L324 HydrophobicContact CB-CG 4.23Å; T320-L324 WeakPolarHBondContact O-CB 3.39Å; T320-L324 VanDerWaalsContact O-CG 3.27Å; T320-L324 WeakPolarHBondContact O-CG 3.45Å; T320-L324 PolarHBondContact O-N 2.77Å; L324-R328 WeakPolarHBondContact O-CG 3.24Å; L324-R328 PolarHBondContact O-NE 3.37Å
325	A	40.2	Very low	38.4	Very low	52 Å²	52	56.2 Å²	56.2	43%	0.43	29%	0.288	S	S	.	.	H	α-helix	trans	-80	-17.3	173.9	0	0	0	0	0	113.4	T321 D322 L323	T321-A325 PolarHBondContact O-N 3.49Å; T321-A325 VanDerWaalsContact O-N 3.14Å; D322-A325 PolarHBondContact O-N 3.23Å; L323-A325 PolarHBondContact O-N 2.9Å
326	F	35	Very low	38.1	Very low	68 Å²	68	59 Å²	59	30%	0.298	30%	0.303	S	S	.	.	H	α-helix	trans	-93.5	-28.9	174.1	-165.6	-87.4	0	0	0	112.2	T288 V292 D322 L323 R328	T288-F326 HydrophobicContact CG2-CD1 4.12Å; V292-F326 HydrophobicContact CG2-CE1 3.8Å; D322-F326 PolarHBondContact O-N 3.18Å; L323-F326 PolarHBondContact O-N 3.3Å; F326-R328 VanDerWaalsContact C-N 3.28Å; F326-R328 PolarHBondContact O-N 2.83Å
327	A	32.9	Very low	37.7	Very low	24 Å²	24	61.5 Å²	61.5	20%	0.198	31%	0.313	C	S	.	.			trans	-74.7	-13.2	175.7	0	0	0	0	0	114.3	Q287 L323	Q287-A327 HydrophobicContact CB-CB 3.67Å; L323-A327 WeakPolarHBondContact O-CB 3.49Å; L323-A327 PolarHBondContact O-N 3.04Å
328	R	32.6	Very low	37.6	Very low	254 Å²	254	62.8 Å²	62.8	96%	0.958	32%	0.319	S	S	*	.			trans	-97.1	0	172.6	-67.6	-178.8	-143.6	-144.3	5	110.7	L324 F326	L324-R328 WeakPolarHBondContact O-CG 3.24Å; L324-R328 PolarHBondContact O-NE 3.37Å; F326-R328 VanDerWaalsContact C-N 3.28Å; F326-R328 PolarHBondContact O-N 2.83Å

Retrieved 328 of 328 residues in 427.7 ms (Link to these results)

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