A0A913KUT2_SCHMA Loading...

PIR Superfamily Protein AlphaSync

AlphaFold DB , UniProt , Accession A0A913KUT2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 209 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.2	Very low	43.1	Very low	239 Å²	239	112 Å²	112	100%	1.177	58%	0.581	S	S	*	*				0	65.5	0	-69.9	-178.6	-178.6	0	0	111.9
2	R	35.2	Very low	44	Very low	247 Å²	247	111.1 Å²	111.1	93%	0.932	58%	0.575	S	S	*	*			trans	-112.3	-8.6	-174.5	-80.3	-178.6	173.5	176.4	-2.1	115.4
3	A	34.8	Very low	45.1	Very low	68 Å²	68	109.3 Å²	109.3	56%	0.562	57%	0.567	S	S	*	*	S	Bend	trans	-94.3	-12.2	-174.8	0	0	0	0	0	115.5
4	N	38.5	Very low	45.5	Very low	131 Å²	131	104.1 Å²	104.1	70%	0.701	54%	0.542	S	S	*	.	H	α-helix	trans	-83.4	-23.6	-172.4	-81.5	-15.5	0	0	0	114.6	L8	N4-L8 WeakPolarHBondContact O-CB 3.41Å; N4-L8 PolarHBondContact O-N 3.07Å
5	L	37.7	Very low	45.8	Very low	101 Å²	101	101.3 Å²	101.3	53%	0.529	53%	0.531	S	S	.	.	H	α-helix	trans	-81.9	-37.7	-171.7	-125.5	88.5	0	0	0	113.6	H7 L8 L9	L5-H7 VanDerWaalsContact C-N 3.33Å; L5-L8 PolarHBondContact O-N 3.31Å; L5-L9 PolarHBondContact O-N 3.31Å
6	S	42.1	Very low	46.1	Very low	78 Å²	78	96.9 Å²	96.9	55%	0.545	51%	0.514	S	S	.	.	H	α-helix	trans	-65.9	-40	176.3	55.3	0	0	0	0	111.1	L9 L10	S6-L9 PolarHBondContact O-N 2.68Å; S6-L10 VanDerWaalsContact O-CB 3.25Å; S6-L10 WeakPolarHBondContact O-CB 3.37Å; S6-L10 PolarHBondContact O-N 3.13Å
7	H	45.3	Very low	46.2	Very low	76 Å²	76	93.5 Å²	93.5	35%	0.352	50%	0.496	S	S	.	.	H	α-helix	trans	-63.3	-42.1	174.7	-125	-70.2	0	0	0	111.6	L5 T11	L5-H7 VanDerWaalsContact C-N 3.33Å; H7-T11 VanDerWaalsContact O-CB 3.24Å; H7-T11 WeakPolarHBondContact O-CB 3.41Å; H7-T11 PolarHBondContact O-N 2.93Å; H7-T11 PolarHBondContact O-OG1 3.08Å
8	L	45	Very low	46.1	Very low	103 Å²	103	92.4 Å²	92.4	54%	0.539	49%	0.489	S	S	.	.	H	α-helix	trans	-64.8	-47.2	178.1	-171.3	70.7	0	0	0	111.6	N4 L5 T11 I12	N4-L8 WeakPolarHBondContact O-CB 3.41Å; N4-L8 PolarHBondContact O-N 3.07Å; L5-L8 PolarHBondContact O-N 3.31Å; L8-T11 PolarHBondContact O-N 2.78Å; L8-I12 HydrophobicContact CG-CD1 4.04Å; L8-I12 VanDerWaalsContact O-CG1 3.24Å; L8-I12 WeakPolarHBondContact O-CG1 3.45Å; L8-I12 PolarHBondContact O-N 3.08Å
9	L	51.5	Low	45.9	Very low	84 Å²	84	92.8 Å²	92.8	44%	0.44	49%	0.49	S	S	.	.	H	α-helix	trans	-63.3	-42.8	178.2	-77.9	165.9	0	0	0	112.2	L5 S6 I12 L13	L5-L9 PolarHBondContact O-N 3.31Å; S6-L9 PolarHBondContact O-N 2.68Å; L9-I12 PolarHBondContact O-N 3.29Å; L9-L13 WeakPolarHBondContact O-CB 3.49Å; L9-L13 PolarHBondContact O-N 3Å
10	L	53.6	Low	45.7	Very low	37 Å²	37	91.5 Å²	91.5	19%	0.194	48%	0.484	C	S	.	.	H	α-helix	trans	-63.6	-43.3	174.9	178.8	63.9	0	0	0	111.4	S6 I12 L13 V14 L49 C53	S6-L10 VanDerWaalsContact O-CB 3.25Å; S6-L10 WeakPolarHBondContact O-CB 3.37Å; S6-L10 PolarHBondContact O-N 3.13Å; L10-I12 VanDerWaalsContact C-N 3.33Å; L10-I12 PolarHBondContact O-N 2.82Å; L10-L13 PolarHBondContact O-N 3.42Å; L10-V14 HydrophobicContact CD1-CG2 3.87Å; L10-V14 HydrophobicContact CG-CG2 4.21Å; L10-V14 WeakPolarHBondContact O-CB 3.29Å; L10-V14 VanDerWaalsContact O-CG2 3.25Å; L10-V14 WeakPolarHBondContact O-CG2 3.45Å; L10-V14 PolarHBondContact O-N 3.47Å; L10-L49 HydrophobicContact CD1-CD2 3.62Å; L10-C53 HydrophobicContact CD2-CB 3.48Å; L10-C53 VanDerWaalsContact CD2-CB 3.48Å; L10-C53 WeakPolarHBondContact CD2-SG 3.49Å
11	T	51.3	Low	45	Very low	68 Å²	68	90 Å²	90	42%	0.417	48%	0.478	S	S	.	.	H	α-helix	trans	-61.9	-43	178	-57.6	0	0	0	0	110.6	H7 L8 T15	H7-T11 VanDerWaalsContact O-CB 3.24Å; H7-T11 WeakPolarHBondContact O-CB 3.41Å; H7-T11 PolarHBondContact O-N 2.93Å; H7-T11 PolarHBondContact O-OG1 3.08Å; L8-T11 PolarHBondContact O-N 2.78Å; T11-T15 WeakPolarHBondContact O-CB 3.47Å; T11-T15 PolarHBondContact O-N 2.94Å; T11-T15 PolarHBondContact O-OG1 3.29Å
12	I	53.5	Low	44.7	Very low	101 Å²	101	86.5 Å²	86.5	52%	0.518	45%	0.452	S	S	.	.	H	α-helix	trans	-62	-46.2	176.1	-68.9	164.2	0	0	0	110.6	L8 L9 L10 T15 A16	L8-I12 HydrophobicContact CG-CD1 4.04Å; L8-I12 VanDerWaalsContact O-CG1 3.24Å; L8-I12 WeakPolarHBondContact O-CG1 3.45Å; L8-I12 PolarHBondContact O-N 3.08Å; L9-I12 PolarHBondContact O-N 3.29Å; L10-I12 VanDerWaalsContact C-N 3.33Å; L10-I12 PolarHBondContact O-N 2.82Å; I12-T15 PolarHBondContact O-N 3.3Å; I12-A16 VanDerWaalsContact O-CB 3.31Å; I12-A16 WeakPolarHBondContact O-CB 3.45Å; I12-A16 PolarHBondContact O-N 3.08Å
13	L	58.4	Low	44.6	Very low	88 Å²	88	77.4 Å²	77.4	46%	0.461	43%	0.429	S	S	.	.	H	α-helix	trans	-65.4	-45.9	-178.8	-158.1	117.5	0	0	0	111.7	L9 L10 A16 I17	L9-L13 WeakPolarHBondContact O-CB 3.49Å; L9-L13 PolarHBondContact O-N 3Å; L10-L13 PolarHBondContact O-N 3.42Å; L13-A16 PolarHBondContact O-N 2.85Å; L13-I17 HydrophobicContact CD2-CD1 3.96Å; L13-I17 WeakPolarHBondContact O-CD1 3.27Å; L13-I17 VanDerWaalsContact O-CG1 3.25Å; L13-I17 WeakPolarHBondContact O-CG1 3.25Å; L13-I17 PolarHBondContact O-N 3.26Å
14	V	51.6	Low	44.4	Very low	36 Å²	36	83.4 Å²	83.4	22%	0.218	44%	0.439	C	S	.	.	H	α-helix	trans	-64.8	-41.2	176.6	172.2	0	0	0	0	111	L10 I17 I18	L10-V14 HydrophobicContact CD1-CG2 3.87Å; L10-V14 HydrophobicContact CG-CG2 4.21Å; L10-V14 WeakPolarHBondContact O-CB 3.29Å; L10-V14 VanDerWaalsContact O-CG2 3.25Å; L10-V14 WeakPolarHBondContact O-CG2 3.45Å; L10-V14 PolarHBondContact O-N 3.47Å; V14-I17 PolarHBondContact O-N 2.84Å; V14-I18 HydrophobicContact CG1-CD1 3.7Å; V14-I18 HydrophobicContact CG1-CG1 4.38Å; V14-I18 VanDerWaalsContact O-CG1 3.26Å; V14-I18 WeakPolarHBondContact O-CG1 3.03Å; V14-I18 PolarHBondContact O-N 2.95Å
15	T	49.3	Very low	44	Very low	62 Å²	62	81.9 Å²	81.9	38%	0.38	44%	0.439	S	S	.	.	H	α-helix	trans	-67.1	-39.2	178.3	-55.6	0	0	0	0	111.3	T11 I12 I18 I19	T11-T15 WeakPolarHBondContact O-CB 3.47Å; T11-T15 PolarHBondContact O-N 2.94Å; T11-T15 PolarHBondContact O-OG1 3.29Å; I12-T15 PolarHBondContact O-N 3.3Å; T15-I18 PolarHBondContact O-N 2.9Å; T15-I19 HydrophobicContact CG2-CD1 3.67Å; T15-I19 HydrophobicContact CG2-CG1 4.2Å; T15-I19 WeakPolarHBondContact O-CB 3.41Å; T15-I19 VanDerWaalsContact O-CG1 3.23Å; T15-I19 WeakPolarHBondContact O-CG1 3.33Å; T15-I19 PolarHBondContact O-N 3.44Å
16	A	51	Low	43.7	Very low	31 Å²	31	82.9 Å²	82.9	26%	0.256	44%	0.443	S	S	.	.	H	α-helix	trans	-61.7	-44	174.3	0	0	0	0	0	111.7	I12 L13 I19 D20 L133	I12-A16 VanDerWaalsContact O-CB 3.31Å; I12-A16 WeakPolarHBondContact O-CB 3.45Å; I12-A16 PolarHBondContact O-N 3.08Å; L13-A16 PolarHBondContact O-N 2.85Å; A16-I19 PolarHBondContact O-N 3.06Å; A16-D20 WeakPolarHBondContact O-CB 3.33Å; A16-D20 PolarHBondContact O-N 2.76Å; A16-L133 HydrophobicContact CB-CD2 3.92Å
17	I	48	Very low	43.1	Very low	40 Å²	40	82.1 Å²	82.1	21%	0.205	45%	0.447	C	S	.	.	H	α-helix	trans	-62.4	-46.2	175.5	-66.2	163.7	0	0	0	110.8	L13 V14 D20 V21 I46	L13-I17 HydrophobicContact CD2-CD1 3.96Å; L13-I17 WeakPolarHBondContact O-CD1 3.27Å; L13-I17 VanDerWaalsContact O-CG1 3.25Å; L13-I17 WeakPolarHBondContact O-CG1 3.25Å; L13-I17 PolarHBondContact O-N 3.26Å; V14-I17 PolarHBondContact O-N 2.84Å; I17-D20 PolarHBondContact O-N 3.37Å; I17-V21 VanDerWaalsContact O-CG2 3.24Å; I17-V21 WeakPolarHBondContact O-CG2 3.38Å; I17-V21 PolarHBondContact O-N 3.15Å; I17-V21 VanDerWaalsContact O-N 3.09Å; I17-I46 HydrophobicContact CG2-CD1 3.9Å
18	I	44	Very low	42.3	Very low	74 Å²	74	85.4 Å²	85.4	38%	0.379	47%	0.468	S	S	.	.	H	α-helix	trans	-65.6	-40.9	179.9	-68.2	168	0	0	0	111.7	V14 T15 V21 R22	V14-I18 HydrophobicContact CG1-CD1 3.7Å; V14-I18 HydrophobicContact CG1-CG1 4.38Å; V14-I18 VanDerWaalsContact O-CG1 3.26Å; V14-I18 WeakPolarHBondContact O-CG1 3.03Å; V14-I18 PolarHBondContact O-N 2.95Å; T15-I18 PolarHBondContact O-N 2.9Å; I18-V21 PolarHBondContact O-N 2.96Å; I18-R22 PolarHBondContact O-N 3.47Å
19	I	42.6	Very low	41.5	Very low	99 Å²	99	86.5 Å²	86.5	51%	0.508	48%	0.478	S	S	.	.	H	α-helix	trans	-67.3	-39.9	179.7	-71.7	172.9	0	0	0	110.6	T15 A16 R22 A23	T15-I19 HydrophobicContact CG2-CD1 3.67Å; T15-I19 HydrophobicContact CG2-CG1 4.2Å; T15-I19 WeakPolarHBondContact O-CB 3.41Å; T15-I19 VanDerWaalsContact O-CG1 3.23Å; T15-I19 WeakPolarHBondContact O-CG1 3.33Å; T15-I19 PolarHBondContact O-N 3.44Å; A16-I19 PolarHBondContact O-N 3.06Å; I19-R22 CarbonylContact O-C 3.6Å; I19-R22 PolarHBondContact O-N 3.27Å; I19-A23 WeakPolarHBondContact O-CB 3.36Å; I19-A23 PolarHBondContact O-N 3.34Å
20	D	41.3	Very low	40.4	Very low	67 Å²	67	93.3 Å²	93.3	36%	0.358	50%	0.5	S	S	.	.	H	α-helix	trans	-65	-42.9	177.2	-160.1	50.7	0	0	0	111.1	A16 I17 R22 A23 Y24	A16-D20 WeakPolarHBondContact O-CB 3.33Å; A16-D20 PolarHBondContact O-N 2.76Å; I17-D20 PolarHBondContact O-N 3.37Å; D20-R22 VanDerWaalsContact C-N 3.27Å; D20-R22 PolarHBondContact O-N 2.89Å; D20-A23 PolarHBondContact O-N 3.24Å; D20-Y24 WeakPolarHBondContact O-CD2 3.43Å; D20-Y24 PolarHBondContact O-N 2.88Å
21	V	31.7	Very low	39.1	Very low	61 Å²	61	101 Å²	101	37%	0.37	53%	0.531	S	S	.	.	H	α-helix	trans	-58.3	-38.2	172.8	171.9	0	0	0	0	111.9	I17 I18 S25 M38	I17-V21 VanDerWaalsContact O-CG2 3.24Å; I17-V21 WeakPolarHBondContact O-CG2 3.38Å; I17-V21 PolarHBondContact O-N 3.15Å; I17-V21 VanDerWaalsContact O-N 3.09Å; I18-V21 PolarHBondContact O-N 2.96Å; V21-S25 PolarHBondContact O-N 2.9Å; V21-S25 PolarHBondContact O-OG 2.88Å; V21-M38 HydrophobicContact CG1-CE 3.74Å; V21-M38 HydrophobicContact CG2-CE 4.32Å
22	R	32.6	Very low	37.9	Very low	165 Å²	165	105.1 Å²	105.1	62%	0.623	55%	0.546	S	S	*	.	H	α-helix	trans	-76	-36.2	176.4	-75.8	-174	-178	-173.9	1.1	113.1	I18 I19 D20 Y24 S25 I26	I18-R22 PolarHBondContact O-N 3.47Å; I19-R22 CarbonylContact O-C 3.6Å; I19-R22 PolarHBondContact O-N 3.27Å; D20-R22 VanDerWaalsContact C-N 3.27Å; D20-R22 PolarHBondContact O-N 2.89Å; R22-Y24 VanDerWaalsContact C-N 3.29Å; R22-Y24 PolarHBondContact O-N 3.37Å; R22-S25 PolarHBondContact O-N 3.43Å; R22-S25 VanDerWaalsContact O-N 3.15Å; R22-I26 HydrophobicContact CB-CD1 4.27Å; R22-I26 WeakPolarHBondContact O-CB 3.29Å; R22-I26 WeakPolarHBondContact O-CD1 3.2Å; R22-I26 VanDerWaalsContact O-CG1 3.22Å; R22-I26 WeakPolarHBondContact O-CG1 3.43Å; R22-I26 PolarHBondContact O-N 3.39Å
23	A	32.5	Very low	36.5	Very low	56 Å²	56	105.6 Å²	105.6	46%	0.463	56%	0.558	S	S	.	*	H	α-helix	trans	-65.4	-35.2	177	0	0	0	0	0	111.4	I19 D20	I19-A23 WeakPolarHBondContact O-CB 3.36Å; I19-A23 PolarHBondContact O-N 3.34Å; D20-A23 PolarHBondContact O-N 3.24Å
24	Y	31.6	Very low	35	Very low	193 Å²	193	111.7 Å²	111.7	76%	0.757	58%	0.576	S	S	*	*	H	α-helix	trans	-73.5	-26.4	171.4	-88	-83.9	0	0	0	113.7	D20 R22	D20-Y24 WeakPolarHBondContact O-CD2 3.43Å; D20-Y24 PolarHBondContact O-N 2.88Å; R22-Y24 VanDerWaalsContact C-N 3.29Å; R22-Y24 PolarHBondContact O-N 3.37Å
25	S	29.6	Very low	33.8	Very low	100 Å²	100	117.1 Å²	117.1	70%	0.699	61%	0.61	S	S	*	*	H	α-helix	trans	-85	-13.1	175.9	-84.2	0	0	0	0	115.1	V21 R22	V21-S25 PolarHBondContact O-N 2.9Å; V21-S25 PolarHBondContact O-OG 2.88Å; R22-S25 PolarHBondContact O-N 3.43Å; R22-S25 VanDerWaalsContact O-N 3.15Å
26	I	31.2	Very low	32.6	Very low	122 Å²	122	116.1 Å²	116.1	63%	0.626	61%	0.612	S	S	*	*			trans	-110.8	12.2	-175.5	-58.5	165.3	0	0	0	111.1	R22 D28	R22-I26 HydrophobicContact CB-CD1 4.27Å; R22-I26 WeakPolarHBondContact O-CB 3.29Å; R22-I26 WeakPolarHBondContact O-CD1 3.2Å; R22-I26 VanDerWaalsContact O-CG1 3.22Å; R22-I26 WeakPolarHBondContact O-CG1 3.43Å; R22-I26 PolarHBondContact O-N 3.39Å; I26-D28 PolarHBondContact O-N 2.9Å
27	G	28.7	Very low	31.4	Very low	61 Å²	61	122.3 Å²	122.3	63%	0.629	64%	0.64	S	S	*	*			trans	-75.4	71	160.1	0	0	0	0	0	110.4
28	D	28.3	Very low	30.6	Very low	146 Å²	146	126.1 Å²	126.1	78%	0.781	66%	0.658	S	S	*	*			trans	-52.4	144.3	168.1	-93.5	-45.8	0	0	0	110.3	I26	I26-D28 PolarHBondContact O-N 2.9Å
29	V	28.2	Very low	29.8	Very low	126 Å²	126	125.7 Å²	125.7	76%	0.764	66%	0.661	S	S	*	*			trans	90.6	46.4	177.9	-150.1	0	0	0	0	116.8
30	Y	28.5	Very low	29.2	Very low	226 Å²	226	125.7 Å²	125.7	89%	0.886	67%	0.668	S	S	*	*			trans	-143.8	94.8	136.7	-92.3	-75.2	0	0	0	110.8	H32	Y30-H32 VanDerWaalsContact C-N 3.26Å; Y30-H32 PolarHBondContact O-N 3.37Å
31	K	26.8	Very low	29.1	Very low	198 Å²	198	126 Å²	126	86%	0.861	68%	0.675	S	S	*	*			trans	-68.9	66.2	175	-75.7	178.7	168.1	176	0	111.9
32	H	25.7	Very low	29.5	Very low	156 Å²	156	127.1 Å²	127.1	72%	0.722	68%	0.678	S	S	*	*	S	Bend	trans	-152.6	105.3	162.4	-77.4	-55.1	0	0	0	110.9	Y30 Y34	Y30-H32 VanDerWaalsContact C-N 3.26Å; Y30-H32 PolarHBondContact O-N 3.37Å; H32-Y34 PolarHBondContact O-N 2.88Å
33	S	24.7	Very low	30	Very low	110 Å²	110	125.4 Å²	125.4	77%	0.769	68%	0.675	S	S	*	*			trans	53.5	24.9	146.8	68.2	0	0	0	0	121.5	T35	S33-T35 VanDerWaalsContact C-N 3.26Å; S33-T35 PolarHBondContact O-N 3.39Å; S33-T35 VanDerWaalsContact O-N 3.14Å
34	Y	26.6	Very low	30.8	Very low	216 Å²	216	127 Å²	127	85%	0.847	68%	0.676	S	S	*	*			trans	-87.4	63	167.3	-85.8	-89.8	0	0	0	112.4	H32 G36	H32-Y34 PolarHBondContact O-N 2.88Å; Y34-G36 PolarHBondContact O-N 2.91Å
35	T	26.5	Very low	31.3	Very low	150 Å²	150	121.3 Å²	121.3	92%	0.92	66%	0.655	S	S	*	*			trans	-75.7	7.1	149.5	32.4	0	0	0	0	111.6	S33	S33-T35 VanDerWaalsContact C-N 3.26Å; S33-T35 PolarHBondContact O-N 3.39Å; S33-T35 VanDerWaalsContact O-N 3.14Å
36	G	24.8	Very low	32.2	Very low	42 Å²	42	118.5 Å²	118.5	43%	0.433	63%	0.632	S	S	.	*			trans	-93.3	122.3	-164.2	0	0	0	0	0	114.2	Y34	Y34-G36 PolarHBondContact O-N 2.91Å
37	L	26	Very low	33.1	Very low	161 Å²	161	117.5 Å²	117.5	84%	0.843	63%	0.625	S	S	*	*			trans	83.1	53.4	152.8	-57.7	152.4	0	0	0	116.8	C39	L37-C39 PolarHBondContact O-N 3.39Å
38	M	29.8	Very low	34	Very low	119 Å²	119	118.9 Å²	118.9	59%	0.586	62%	0.618	S	S	*	*			trans	-63.8	116.6	134.8	-74.7	-157.2	176.3	0	0	106.5	V21 P40	V21-M38 HydrophobicContact CG1-CE 3.74Å; V21-M38 HydrophobicContact CG2-CE 4.32Å; M38-P40 VanDerWaalsContact O-CD 3.27Å; M38-P40 WeakPolarHBondContact O-CD 3.42Å
39	C	28	Very low	34.8	Very low	65 Å²	65	114.1 Å²	114.1	44%	0.439	59%	0.592	S	S	.	*			trans	-48.1	120	162.8	-90.3	0	0	0	0	106.9	L37 S41 I42	L37-C39 PolarHBondContact O-N 3.39Å; C39-S41 PolarHBondContact O-N 3.34Å; C39-I42 HydrophobicContact CB-CD1 4.02Å; C39-I42 HydrophobicContact CB-CG1 3.98Å; C39-I42 PolarHBondContact O-N 2.85Å
40	P	30.1	Very low	35.5	Very low	100 Å²	100	113 Å²	113	65%	0.649	58%	0.576	S	S	*	*	H	α-helix	trans	-47.9	-34.3	179.6	-29.2	34.6	0	0	0	111.6	M38 I42 K43 D44	M38-P40 VanDerWaalsContact O-CD 3.27Å; M38-P40 WeakPolarHBondContact O-CD 3.42Å; P40-I42 PolarHBondContact O-N 3.35Å; P40-K43 PolarHBondContact O-N 3.46Å; P40-D44 PolarHBondContact O-N 3.35Å; P40-D44 VanDerWaalsContact O-N 3.15Å
41	S	38.4	Very low	36.5	Very low	72 Å²	72	107.1 Å²	107.1	50%	0.503	56%	0.561	S	S	.	*	H	α-helix	trans	-63.8	-27.6	176.8	59.5	0	0	0	0	116.2	C39 F45	C39-S41 PolarHBondContact O-N 3.34Å; S41-F45 WeakPolarHBondContact O-CB 3.14Å; S41-F45 PolarHBondContact O-N 3.43Å
42	I	40.5	Very low	37.1	Very low	85 Å²	85	104.6 Å²	104.6	44%	0.436	55%	0.55	S	S	.	.	H	α-helix	trans	-77.8	-40.9	179.3	-66.1	175.3	0	0	0	110.4	C39 P40 F45 I46	C39-I42 HydrophobicContact CB-CD1 4.02Å; C39-I42 HydrophobicContact CB-CG1 3.98Å; C39-I42 PolarHBondContact O-N 2.85Å; P40-I42 PolarHBondContact O-N 3.35Å; I42-F45 WeakPolarHBondContact O-CB 3.29Å; I42-F45 PolarHBondContact O-N 3.49Å; I42-I46 HydrophobicContact CG2-CD1 4.03Å; I42-I46 HydrophobicContact CG2-CG1 4.48Å; I42-I46 WeakPolarHBondContact O-CG1 3.25Å; I42-I46 PolarHBondContact O-N 2.98Å
43	K	44.3	Very low	37.4	Very low	130 Å²	130	99 Å²	99	57%	0.565	53%	0.527	S	S	*	.	H	α-helix	trans	-62.1	-48.5	174.8	-173.7	-177.3	174.7	-171.5	0	109.9	P40 F45 I46 E47	P40-K43 PolarHBondContact O-N 3.46Å; K43-F45 VanDerWaalsContact C-N 3.25Å; K43-F45 PolarHBondContact O-N 3.24Å; K43-I46 PolarHBondContact O-N 2.88Å; K43-E47 WeakPolarHBondContact O-CB 3.47Å; K43-E47 PolarHBondContact O-N 3.18Å
44	D	47.8	Very low	37.7	Very low	88 Å²	88	100.7 Å²	100.7	47%	0.471	52%	0.518	S	S	.	.	H	α-helix	trans	-61.1	-34.9	175.1	-64.9	-14.1	0	0	0	112.1	P40 N48	P40-D44 PolarHBondContact O-N 3.35Å; P40-D44 VanDerWaalsContact O-N 3.15Å; D44-N48 WeakPolarHBondContact O-CB 3.25Å; D44-N48 PolarHBondContact O-N 3.43Å
45	F	43.9	Very low	37.8	Very low	75 Å²	75	92.7 Å²	92.7	33%	0.329	50%	0.501	S	S	.	.	H	α-helix	trans	-66.7	-47.2	176	168	-99.4	0	0	0	112.3	S41 I42 K43 E47 N48 L49 F87	S41-F45 WeakPolarHBondContact O-CB 3.14Å; S41-F45 PolarHBondContact O-N 3.43Å; I42-F45 WeakPolarHBondContact O-CB 3.29Å; I42-F45 PolarHBondContact O-N 3.49Å; K43-F45 VanDerWaalsContact C-N 3.25Å; K43-F45 PolarHBondContact O-N 3.24Å; F45-E47 VanDerWaalsContact C-N 3.29Å; F45-E47 PolarHBondContact O-N 3.14Å; F45-N48 PolarHBondContact O-N 3.4Å; F45-L49 HydrophobicContact CD1-CD1 4.13Å; F45-L49 HydrophobicContact CD2-CD1 4.36Å; F45-L49 HydrophobicContact CE1-CD1 3.48Å; F45-L49 VanDerWaalsContact CE1-CD1 3.48Å; F45-L49 HydrophobicContact CE2-CD1 3.74Å; F45-L49 HydrophobicContact CZ-CD1 3.26Å; F45-L49 WeakPolarHBondContact O-CB 3.34Å; F45-L49 PolarHBondContact O-N 3.48Å; F45-F87 HydrophobicContact CE2-CE2 4.12Å; F45-F87 HydrophobicContact CZ-CE2 4.03Å
46	I	47.3	Very low	37.8	Very low	41 Å²	41	91.3 Å²	91.3	21%	0.21	49%	0.487	C	S	.	.	H	α-helix	trans	-63.5	-39.9	176.8	-67.1	167.6	0	0	0	110	I17 I42 K43 L49 K50	I17-I46 HydrophobicContact CG2-CD1 3.9Å; I42-I46 HydrophobicContact CG2-CD1 4.03Å; I42-I46 HydrophobicContact CG2-CG1 4.48Å; I42-I46 WeakPolarHBondContact O-CG1 3.25Å; I42-I46 PolarHBondContact O-N 2.98Å; K43-I46 PolarHBondContact O-N 2.88Å; I46-L49 PolarHBondContact O-N 3.35Å; I46-K50 HydrophobicContact CG2-CD 4.25Å; I46-K50 WeakPolarHBondContact O-CB 3.35Å; I46-K50 VanDerWaalsContact O-CG 3.29Å; I46-K50 WeakPolarHBondContact O-CG 3.37Å; I46-K50 PolarHBondContact O-N 2.92Å
47	E	50.9	Low	38.1	Very low	101 Å²	101	91 Å²	91	47%	0.472	48%	0.478	S	S	.	.	H	α-helix	trans	-66.9	-42.7	178.1	-165.7	163.7	-175.2	0	0	111.7	K43 F45 K50 N51	K43-E47 WeakPolarHBondContact O-CB 3.47Å; K43-E47 PolarHBondContact O-N 3.18Å; F45-E47 VanDerWaalsContact C-N 3.29Å; F45-E47 PolarHBondContact O-N 3.14Å; E47-K50 PolarHBondContact O-N 3.49Å; E47-N51 WeakPolarHBondContact O-CB 3.43Å; E47-N51 PolarHBondContact O-N 3.37Å; E47-N51 PolarHBondContact O-ND2 2.91Å
48	N	47.6	Very low	38.2	Very low	90 Å²	90	87.9 Å²	87.9	48%	0.481	47%	0.466	S	S	.	.	H	α-helix	trans	-64.3	-40.4	172.9	-104.1	-52.9	0	0	0	113	D44 F45 N51 K52	D44-N48 WeakPolarHBondContact O-CB 3.25Å; D44-N48 PolarHBondContact O-N 3.43Å; F45-N48 PolarHBondContact O-N 3.4Å; N48-N51 PolarHBondContact O-N 2.93Å; N48-K52 WeakPolarHBondContact O-CB 3.49Å; N48-K52 WeakPolarHBondContact O-CG 3.23Å; N48-K52 PolarHBondContact O-N 3.33Å
49	L	44.2	Very low	38.2	Very low	45 Å²	45	90.2 Å²	90.2	24%	0.236	48%	0.475	C	S	.	.	H	α-helix	trans	-63.8	-43.8	176.2	-107.9	162	0	0	0	111.1	L10 F45 I46 C53	L10-L49 HydrophobicContact CD1-CD2 3.62Å; F45-L49 HydrophobicContact CD1-CD1 4.13Å; F45-L49 HydrophobicContact CD2-CD1 4.36Å; F45-L49 HydrophobicContact CE1-CD1 3.48Å; F45-L49 VanDerWaalsContact CE1-CD1 3.48Å; F45-L49 HydrophobicContact CE2-CD1 3.74Å; F45-L49 HydrophobicContact CZ-CD1 3.26Å; F45-L49 WeakPolarHBondContact O-CB 3.34Å; F45-L49 PolarHBondContact O-N 3.48Å; I46-L49 PolarHBondContact O-N 3.35Å; L49-C53 WeakPolarHBondContact O-CB 3.39Å; L49-C53 PolarHBondContact O-N 3.33Å; L49-C53 PolarHBondContact O-SG 3Å; L49-C53 VanDerWaalsContact O-SG 3.34Å
50	K	44.2	Very low	38.3	Very low	102 Å²	102	94.8 Å²	94.8	44%	0.443	49%	0.49	S	S	.	.	H	α-helix	trans	-58.7	-52.6	172.9	-76.2	176.5	178.4	-177.7	0	110.4	I46 E47 K52 C53 Y54	I46-K50 HydrophobicContact CG2-CD 4.25Å; I46-K50 WeakPolarHBondContact O-CB 3.35Å; I46-K50 VanDerWaalsContact O-CG 3.29Å; I46-K50 WeakPolarHBondContact O-CG 3.37Å; I46-K50 PolarHBondContact O-N 2.92Å; E47-K50 PolarHBondContact O-N 3.49Å; K50-K52 VanDerWaalsContact C-N 3.35Å; K50-K52 PolarHBondContact O-N 3.21Å; K50-C53 PolarHBondContact O-N 3.44Å; K50-Y54 HydrophobicContact CB-CD2 4.14Å; K50-Y54 HydrophobicContact CB-CE2 4.49Å; K50-Y54 HydrophobicContact CG-CD2 4.43Å; K50-Y54 HydrophobicContact CG-CE2 4.29Å; K50-Y54 VanDerWaalsContact O-CB 3.25Å; K50-Y54 WeakPolarHBondContact O-CB 3.46Å; K50-Y54 VanDerWaalsContact O-CD2 3.25Å; K50-Y54 WeakPolarHBondContact O-CD2 3.47Å; K50-Y54 PolarHBondContact O-N 2.96Å
51	N	48	Very low	38.2	Very low	104 Å²	104	96.3 Å²	96.3	56%	0.556	49%	0.492	S	S	*	.	H	α-helix	trans	-63.1	-39.7	-176.1	-68.3	-15.4	0	0	0	112.7	E47 N48 G55	E47-N51 WeakPolarHBondContact O-CB 3.43Å; E47-N51 PolarHBondContact O-N 3.37Å; E47-N51 PolarHBondContact O-ND2 2.91Å; N48-N51 PolarHBondContact O-N 2.93Å; N51-G55 PolarHBondContact O-N 2.84Å; N51-G55 VanDerWaalsContact O-N 3.08Å
52	K	39.6	Very low	37.6	Very low	145 Å²	145	100 Å²	100	63%	0.63	51%	0.507	S	S	*	.	H	α-helix	trans	-74	-41	178.6	-71.1	-176.3	179.3	-173.9	0	112.7	N48 K50 L56	N48-K52 WeakPolarHBondContact O-CB 3.49Å; N48-K52 WeakPolarHBondContact O-CG 3.23Å; N48-K52 PolarHBondContact O-N 3.33Å; K50-K52 VanDerWaalsContact C-N 3.35Å; K50-K52 PolarHBondContact O-N 3.21Å; K52-L56 WeakPolarHBondContact O-CD1 3.25Å; K52-L56 PolarHBondContact O-N 2.91Å
53	C	31.5	Very low	37	Very low	38 Å²	38	105 Å²	105	26%	0.257	53%	0.525	S	S	.	.	H	α-helix	trans	-78.5	-36.4	-178.5	-65.3	0	0	0	0	113.1	L10 L49 K50 L56 S57	L10-C53 HydrophobicContact CD2-CB 3.48Å; L10-C53 VanDerWaalsContact CD2-CB 3.48Å; L10-C53 WeakPolarHBondContact CD2-SG 3.49Å; L49-C53 WeakPolarHBondContact O-CB 3.39Å; L49-C53 PolarHBondContact O-N 3.33Å; L49-C53 PolarHBondContact O-SG 3Å; L49-C53 VanDerWaalsContact O-SG 3.34Å; K50-C53 PolarHBondContact O-N 3.44Å; C53-L56 PolarHBondContact O-N 3.15Å; C53-S57 PolarHBondContact O-N 2.9Å
54	Y	30.9	Very low	36	Very low	146 Å²	146	106.7 Å²	106.7	57%	0.573	53%	0.534	S	S	*	.	H	α-helix	trans	-77.5	-28.6	175.6	-77.1	-81.2	0	0	0	113	K50 L56 S57 T58	K50-Y54 HydrophobicContact CB-CD2 4.14Å; K50-Y54 HydrophobicContact CB-CE2 4.49Å; K50-Y54 HydrophobicContact CG-CD2 4.43Å; K50-Y54 HydrophobicContact CG-CE2 4.29Å; K50-Y54 VanDerWaalsContact O-CB 3.25Å; K50-Y54 WeakPolarHBondContact O-CB 3.46Å; K50-Y54 VanDerWaalsContact O-CD2 3.25Å; K50-Y54 WeakPolarHBondContact O-CD2 3.47Å; K50-Y54 PolarHBondContact O-N 2.96Å; Y54-L56 VanDerWaalsContact C-N 3.25Å; Y54-L56 PolarHBondContact O-N 2.78Å; Y54-S57 PolarHBondContact O-N 3.13Å; Y54-S57 PolarHBondContact O-OG 2.72Å; Y54-T58 PolarHBondContact O-OG1 3.06Å
55	G	29	Very low	34.9	Very low	47 Å²	47	107.6 Å²	107.6	49%	0.485	55%	0.545	S	S	.	.	H	α-helix	trans	-67.2	-25.4	171.4	0	0	0	0	0	113.5	N51	N51-G55 PolarHBondContact O-N 2.84Å; N51-G55 VanDerWaalsContact O-N 3.08Å
56	L	26.9	Very low	34.1	Very low	121 Å²	121	110.5 Å²	110.5	63%	0.634	56%	0.564	S	S	*	*	H	α-helix	trans	-83.5	-20.5	175.8	-95	152	0	0	0	113.4	K52 C53 Y54	K52-L56 WeakPolarHBondContact O-CD1 3.25Å; K52-L56 PolarHBondContact O-N 2.91Å; C53-L56 PolarHBondContact O-N 3.15Å; Y54-L56 VanDerWaalsContact C-N 3.25Å; Y54-L56 PolarHBondContact O-N 2.78Å
57	S	30.5	Very low	33	Very low	35 Å²	35	116.2 Å²	116.2	25%	0.245	59%	0.59	C	S	.	*	H	α-helix	trans	-96.2	-6.2	-173.6	73.5	0	0	0	0	115.1	C53 Y54	C53-S57 PolarHBondContact O-N 2.9Å; Y54-S57 PolarHBondContact O-N 3.13Å; Y54-S57 PolarHBondContact O-OG 2.72Å
58	T	28.4	Very low	31.7	Very low	96 Å²	96	118.3 Å²	118.3	59%	0.589	61%	0.605	S	S	*	*	H	α-helix	trans	-126.2	-10.5	-172.4	47.4	0	0	0	0	115.1	Y54	Y54-T58 PolarHBondContact O-OG1 3.06Å
59	H	30.4	Very low	30.5	Very low	169 Å²	169	121.5 Å²	121.5	78%	0.782	62%	0.617	S	S	*	*	S	Bend	trans	-115.6	-5.3	-175.7	-116.7	-62.1	0	0	0	116
60	Q	30.3	Very low	29.6	Very low	160 Å²	160	129.6 Å²	129.6	75%	0.748	65%	0.65	S	S	*	*	S	Bend	trans	-123.1	0.9	178.9	-73.9	-162.9	-25.7	0	0	114.9
61	L	27.6	Very low	28.7	Very low	132 Å²	132	130.7 Å²	130.7	69%	0.691	66%	0.66	S	S	*	*	S	Bend	trans	-94.8	-3.1	178.8	-84.6	154.9	0	0	0	114
62	D	26.3	Very low	27.4	Very low	151 Å²	151	133.8 Å²	133.8	81%	0.807	68%	0.676	S	S	*	*	S	Bend	trans	-106.2	12.1	-173	-101.5	-8.6	0	0	0	115.3
63	K	26.5	Very low	26.7	Very low	189 Å²	189	132.8 Å²	132.8	82%	0.822	68%	0.678	S	S	*	*			trans	-142.8	83	171.3	-67.3	-171.4	-179.4	-177.6	0	110.2	P65	K63-P65 VanDerWaalsContact C-CD 3.41Å; K63-P65 VanDerWaalsContact O-CD 3.29Å; K63-P65 WeakPolarHBondContact O-CD 3.42Å
64	H	24	Very low	26.3	Very low	165 Å²	165	139.1 Å²	139.1	76%	0.764	71%	0.709	S	S	*	*			trans	-110.8	82	169.4	-153	-65.6	0	0	0	109
65	P	24.6	Very low	25.9	Very low	108 Å²	108	136.3 Å²	136.3	70%	0.701	71%	0.711	S	S	*	*			trans	-75	134.5	159.7	32.3	-28.6	0	0	0	108	K63	K63-P65 VanDerWaalsContact C-CD 3.41Å; K63-P65 VanDerWaalsContact O-CD 3.29Å; K63-P65 WeakPolarHBondContact O-CD 3.42Å
66	D	26.5	Very low	25.7	Very low	135 Å²	135	145.3 Å²	145.3	72%	0.722	73%	0.732	S	S	*	*			trans	-55.7	145.7	-175.1	-59	-52.6	0	0	0	112.9
67	Q	24.6	Very low	25.5	Very low	162 Å²	162	145.6 Å²	145.6	76%	0.757	74%	0.739	S	S	*	*	S	Bend	trans	38.7	121	142.5	-59.1	-162.7	-33.6	0	0	118.4
68	N	23.8	Very low	25.1	Very low	145 Å²	145	146.3 Å²	146.3	78%	0.775	75%	0.752	S	S	*	*			trans	102.1	131.9	151.1	-48.7	-36.2	0	0	0	114.6
69	E	23	Very low	24.9	Very low	157 Å²	157	150 Å²	150	73%	0.734	77%	0.767	S	S	*	*			trans	82.2	79.9	178.7	-60.5	-173.6	157	0	0	118
70	F	25.6	Very low	24.7	Very low	214 Å²	214	150.4 Å²	150.4	94%	0.939	77%	0.771	S	S	*	*			trans	-139.8	78.8	141	-76.7	-79.5	0	0	0	106.3
71	I	23.8	Very low	24.5	Very low	126 Å²	126	148.1 Å²	148.1	65%	0.646	77%	0.772	S	S	*	*				53	102	90.2	-56.2	178.6	0	0	0	109.6	D73	I71-D73 PolarHBondContact O-N 3.39Å; I71-D73 VanDerWaalsContact O-N 3.08Å
72	N	22.3	Very low	24.7	Very low	169 Å²	169	146.3 Å²	146.3	90%	0.904	77%	0.768	S	S	*	*			trans	-50.5	107.4	158.3	-82.2	-25.3	0	0	0	108.4
73	D	23.4	Very low	25	Very low	123 Å²	123	141.6 Å²	141.6	66%	0.658	75%	0.747	S	S	*	*			trans	-143.5	133.3	160.6	-147.7	-5.9	0	0	0	108.7	I71 S75	I71-D73 PolarHBondContact O-N 3.39Å; I71-D73 VanDerWaalsContact O-N 3.08Å; D73-S75 PolarHBondContact O-N 3.37Å
74	D	23.2	Very low	25.6	Very low	171 Å²	171	138.9 Å²	138.9	91%	0.914	74%	0.74	S	S	*	*	S	Bend	trans	-73.8	56.7	-162.2	-70.6	-44.9	0	0	0	113.6
75	S	24.1	Very low	26.4	Very low	87 Å²	87	138.3 Å²	138.3	61%	0.608	74%	0.735	S	S	*	*			trans	-145.2	56.9	177.6	64.4	0	0	0	0	113.3	D73 T77	D73-S75 PolarHBondContact O-N 3.37Å; S75-T77 PolarHBondContact O-N 3.48Å
76	Y	23.6	Very low	27.4	Very low	236 Å²	236	136.5 Å²	136.5	93%	0.925	72%	0.72	S	S	*	*			trans	-70.6	74.4	162.7	-95.3	-92	0	0	0	110.7	G78	Y76-G78 PolarHBondContact O-N 3.14Å
77	T	22.4	Very low	28.1	Very low	127 Å²	127	134.3 Å²	134.3	78%	0.779	70%	0.704	S	S	*	*			trans	-72.4	57.8	153.2	33.2	0	0	0	0	109.5	S75 L79	S75-T77 PolarHBondContact O-N 3.48Å; T77-L79 PolarHBondContact O-N 2.99Å; T77-L79 VanDerWaalsContact O-N 3.13Å
78	G	23.4	Very low	29	Very low	50 Å²	50	129.6 Å²	129.6	52%	0.515	68%	0.683	S	S	.	*			trans	-76.3	91.4	164.9	0	0	0	0	0	107.7	Y76 M80	Y76-G78 PolarHBondContact O-N 3.14Å; G78-M80 VanDerWaalsContact C-N 3.27Å; G78-M80 PolarHBondContact O-N 2.92Å
79	L	23.9	Very low	30	Very low	173 Å²	173	127.3 Å²	127.3	91%	0.906	67%	0.668	S	S	*	*			trans	-58.2	90.6	175.5	-77.2	161.5	0	0	0	109.2	T77 C81	T77-L79 PolarHBondContact O-N 2.99Å; T77-L79 VanDerWaalsContact O-N 3.13Å; L79-C81 PolarHBondContact O-N 3.1Å
80	M	24.9	Very low	31.2	Very low	179 Å²	179	124.1 Å²	124.1	88%	0.882	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-59.9	129.5	173.9	-69.4	-167.9	170.1	0	0	108.2	G78	G78-M80 VanDerWaalsContact C-N 3.27Å; G78-M80 PolarHBondContact O-N 2.92Å
81	C	27.6	Very low	32	Very low	112 Å²	112	117.4 Å²	117.4	76%	0.757	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-46.5	133.7	160.7	-78.4	0	0	0	0	107.6	L79 S83	L79-C81 PolarHBondContact O-N 3.1Å; C81-S83 PolarHBondContact O-N 3.18Å; C81-S83 VanDerWaalsContact O-N 3.13Å
82	P	30.4	Very low	32.8	Very low	93 Å²	93	116.6 Å²	116.6	60%	0.604	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-46.1	129.9	173.9	-22.4	29.6	0	0	0	107.3	I84 D86	P82-I84 PolarHBondContact O-N 2.77Å; P82-D86 HydrophobicContact CB-CB 3.99Å
83	S	32.8	Very low	33.7	Very low	53 Å²	53	113.3 Å²	113.3	37%	0.371	60%	0.604	S	S	.	*	P	Polyproline II helix	trans	-53.1	145.4	180	67.6	0	0	0	0	107.5	C81 K85 D86 F87	C81-S83 PolarHBondContact O-N 3.18Å; C81-S83 VanDerWaalsContact O-N 3.13Å; S83-K85 CarbonylContact O-C 3.59Å; S83-K85 PolarHBondContact O-N 2.71Å; S83-K85 WeakPolarHBondContact OG-CB 3.36Å; S83-D86 PolarHBondContact N-OD2 3.05Å; S83-D86 WeakPolarHBondContact O-CA 3.25Å; S83-D86 WeakPolarHBondContact O-CB 3.24Å; S83-D86 PolarHBondContact O-N 3.32Å; S83-D86 PolarHBondContact OG-N 3.23Å; S83-D86 VanDerWaalsContact OG-N 3.15Å; S83-D86 PolarHBondContact OG-OD2 3.35Å; S83-F87 PolarHBondContact O-N 3.4Å
84	I	39	Very low	34.3	Very low	132 Å²	132	114.7 Å²	114.7	68%	0.677	60%	0.604	S	S	*	*	H	α-helix	trans	-51.1	-27.3	176.6	-68.2	169.7	0	0	0	110.4	P82 F87 I88	P82-I84 PolarHBondContact O-N 2.77Å; I84-F87 WeakPolarHBondContact O-CB 3.25Å; I84-F87 PolarHBondContact O-N 2.85Å; I84-I88 HydrophobicContact CG2-CD1 3.84Å; I84-I88 HydrophobicContact CG2-CG1 4.35Å; I84-I88 WeakPolarHBondContact O-CB 3.26Å; I84-I88 VanDerWaalsContact O-CG1 3.23Å; I84-I88 WeakPolarHBondContact O-CG1 3.24Å; I84-I88 PolarHBondContact O-N 2.96Å
85	K	40.9	Very low	34.7	Very low	152 Å²	152	109.2 Å²	109.2	66%	0.661	58%	0.578	S	S	*	*	H	α-helix	trans	-60.7	-53.4	169.5	-169.9	-175.4	176	-169.3	0	112.7	S83 F87 I88 E89	S83-K85 CarbonylContact O-C 3.59Å; S83-K85 PolarHBondContact O-N 2.71Å; S83-K85 WeakPolarHBondContact OG-CB 3.36Å; K85-F87 PolarHBondContact O-N 3.27Å; K85-I88 PolarHBondContact O-N 3.46Å; K85-E89 VanDerWaalsContact O-CB 3.29Å; K85-E89 WeakPolarHBondContact O-CB 3.45Å; K85-E89 PolarHBondContact O-N 2.93Å
86	D	45.5	Very low	34.9	Very low	71 Å²	71	112.5 Å²	112.5	38%	0.38	58%	0.579	S	S	.	*	H	α-helix	trans	-60.8	-34	174.9	-57.5	-41.6	0	0	0	112.3	P82 S83 N90	P82-D86 HydrophobicContact CB-CB 3.99Å; S83-D86 PolarHBondContact N-OD2 3.05Å; S83-D86 WeakPolarHBondContact O-CA 3.25Å; S83-D86 WeakPolarHBondContact O-CB 3.24Å; S83-D86 PolarHBondContact O-N 3.32Å; S83-D86 PolarHBondContact OG-N 3.23Å; S83-D86 VanDerWaalsContact OG-N 3.15Å; S83-D86 PolarHBondContact OG-OD2 3.35Å; D86-N90 VanDerWaalsContact O-CB 3.25Å; D86-N90 WeakPolarHBondContact O-CB 3.43Å; D86-N90 PolarHBondContact O-N 3.4Å; D86-N90 PolarHBondContact O-ND2 2.93Å
87	F	41.6	Very low	35	Very low	88 Å²	88	102.9 Å²	102.9	39%	0.386	55%	0.551	S	S	.	*	H	α-helix	trans	-64.1	-50.4	174	170.4	-98.8	0	0	0	111.4	F45 S83 I84 K85 E89 N90 L91	F45-F87 HydrophobicContact CE2-CE2 4.12Å; F45-F87 HydrophobicContact CZ-CE2 4.03Å; S83-F87 PolarHBondContact O-N 3.4Å; I84-F87 WeakPolarHBondContact O-CB 3.25Å; I84-F87 PolarHBondContact O-N 2.85Å; K85-F87 PolarHBondContact O-N 3.27Å; F87-E89 VanDerWaalsContact C-N 3.35Å; F87-N90 PolarHBondContact O-N 3.49Å; F87-L91 HydrophobicContact CE1-CD1 4.1Å; F87-L91 HydrophobicContact CE2-CD1 4.15Å; F87-L91 HydrophobicContact CZ-CD1 3.69Å; F87-L91 WeakPolarHBondContact O-CB 3.42Å; F87-L91 PolarHBondContact O-N 3.49Å
88	I	43.6	Very low	35.2	Very low	64 Å²	64	102.4 Å²	102.4	33%	0.328	54%	0.543	S	S	.	.	H	α-helix	trans	-64.9	-40	178	-69.2	166.9	0	0	0	110.9	I84 K85 L91 K92 I126	I84-I88 HydrophobicContact CG2-CD1 3.84Å; I84-I88 HydrophobicContact CG2-CG1 4.35Å; I84-I88 WeakPolarHBondContact O-CB 3.26Å; I84-I88 VanDerWaalsContact O-CG1 3.23Å; I84-I88 WeakPolarHBondContact O-CG1 3.24Å; I84-I88 PolarHBondContact O-N 2.96Å; K85-I88 PolarHBondContact O-N 3.46Å; I88-L91 PolarHBondContact O-N 3.22Å; I88-K92 HydrophobicContact CG2-CD 4.41Å; I88-K92 WeakPolarHBondContact O-CG 3.16Å; I88-K92 PolarHBondContact O-N 3.21Å; I88-I126 HydrophobicContact CG2-CD1 4.23Å
89	E	46.1	Very low	35.4	Very low	97 Å²	97	103 Å²	103	45%	0.453	54%	0.54	S	S	.	.	H	α-helix	trans	-68.3	-41.9	-179.6	-166.5	163.9	-175.7	0	0	111.6	K85 F87 L91 K92 N93	K85-E89 VanDerWaalsContact O-CB 3.29Å; K85-E89 WeakPolarHBondContact O-CB 3.45Å; K85-E89 PolarHBondContact O-N 2.93Å; F87-E89 VanDerWaalsContact C-N 3.35Å; E89-L91 VanDerWaalsContact C-N 3.35Å; E89-L91 PolarHBondContact O-N 3.15Å; E89-K92 PolarHBondContact O-N 3.29Å; E89-N93 WeakPolarHBondContact O-CB 3.39Å; E89-N93 VanDerWaalsContact O-CG 3.28Å; E89-N93 PolarHBondContact O-N 3.47Å; E89-N93 PolarHBondContact O-ND2 2.86Å
90	N	47.9	Very low	35.6	Very low	89 Å²	89	99.3 Å²	99.3	48%	0.476	52%	0.524	S	S	.	.	H	α-helix	trans	-64.2	-38.5	171.9	-91.1	-58.9	0	0	0	112.8	D86 F87 N93 K94	D86-N90 VanDerWaalsContact O-CB 3.25Å; D86-N90 WeakPolarHBondContact O-CB 3.43Å; D86-N90 PolarHBondContact O-N 3.4Å; D86-N90 PolarHBondContact O-ND2 2.93Å; F87-N90 PolarHBondContact O-N 3.49Å; N90-N93 PolarHBondContact O-N 3.09Å; N90-K94 WeakPolarHBondContact O-CB 3.43Å; N90-K94 WeakPolarHBondContact O-CG 3.45Å; N90-K94 PolarHBondContact O-N 3.45Å
91	L	42.5	Very low	35.9	Very low	74 Å²	74	98.9 Å²	98.9	39%	0.387	52%	0.52	S	S	.	.	H	α-helix	trans	-67.6	-40.1	179.6	-149.6	143.6	0	0	0	110.6	F87 I88 E89 C95	F87-L91 HydrophobicContact CE1-CD1 4.1Å; F87-L91 HydrophobicContact CE2-CD1 4.15Å; F87-L91 HydrophobicContact CZ-CD1 3.69Å; F87-L91 WeakPolarHBondContact O-CB 3.42Å; F87-L91 PolarHBondContact O-N 3.49Å; I88-L91 PolarHBondContact O-N 3.22Å; E89-L91 VanDerWaalsContact C-N 3.35Å; E89-L91 PolarHBondContact O-N 3.15Å; L91-C95 WeakPolarHBondContact O-CB 3.28Å; L91-C95 PolarHBondContact O-N 3.36Å; L91-C95 VanDerWaalsContact O-N 3.14Å; L91-C95 PolarHBondContact O-SG 3.01Å; L91-C95 VanDerWaalsContact O-SG 3.33Å
92	K	39.8	Very low	36	Very low	108 Å²	108	101.4 Å²	101.4	47%	0.47	52%	0.52	S	S	.	.	H	α-helix	trans	-58.3	-56.1	168.4	-74.4	177.7	178.5	-176	0	111	I88 E89 K94 C95 Y96	I88-K92 HydrophobicContact CG2-CD 4.41Å; I88-K92 WeakPolarHBondContact O-CG 3.16Å; I88-K92 PolarHBondContact O-N 3.21Å; E89-K92 PolarHBondContact O-N 3.29Å; K92-K94 VanDerWaalsContact C-N 3.32Å; K92-K94 PolarHBondContact O-N 2.92Å; K92-C95 PolarHBondContact O-N 2.62Å; K92-Y96 HydrophobicContact CB-CD2 4.19Å; K92-Y96 HydrophobicContact CB-CE2 4.39Å; K92-Y96 HydrophobicContact CG-CE2 4.45Å; K92-Y96 WeakPolarHBondContact O-CD2 3.34Å; K92-Y96 PolarHBondContact O-N 2.84Å
93	N	40.5	Very low	36	Very low	101 Å²	101	104 Å²	104	54%	0.54	53%	0.528	S	S	.	.	H	α-helix	trans	-62.7	-36.5	-173.4	-70.5	-15.1	0	0	0	113.1	E89 N90 G97	E89-N93 WeakPolarHBondContact O-CB 3.39Å; E89-N93 VanDerWaalsContact O-CG 3.28Å; E89-N93 PolarHBondContact O-N 3.47Å; E89-N93 PolarHBondContact O-ND2 2.86Å; N90-N93 PolarHBondContact O-N 3.09Å; N93-G97 WeakPolarHBondContact O-CA 3.4Å; N93-G97 PolarHBondContact O-N 3.27Å
94	K	37	Very low	35.7	Very low	151 Å²	151	108.5 Å²	108.5	66%	0.657	55%	0.548	S	S	*	.	H	α-helix	trans	-73.5	-35	176.7	-73.1	-173.5	177.2	-174	0	113	N90 K92 L98	N90-K94 WeakPolarHBondContact O-CB 3.43Å; N90-K94 WeakPolarHBondContact O-CG 3.45Å; N90-K94 PolarHBondContact O-N 3.45Å; K92-K94 VanDerWaalsContact C-N 3.32Å; K92-K94 PolarHBondContact O-N 2.92Å; K94-L98 WeakPolarHBondContact O-CD1 3.27Å
95	C	31	Very low	35.1	Very low	57 Å²	57	111.5 Å²	111.5	39%	0.385	56%	0.556	S	S	.	*	H	α-helix	trans	-73.2	-38.4	175.5	-71.7	0	0	0	0	112.7	L91 K92	L91-C95 WeakPolarHBondContact O-CB 3.28Å; L91-C95 PolarHBondContact O-N 3.36Å; L91-C95 VanDerWaalsContact O-N 3.14Å; L91-C95 PolarHBondContact O-SG 3.01Å; L91-C95 VanDerWaalsContact O-SG 3.33Å; K92-C95 PolarHBondContact O-N 2.62Å
96	Y	29.1	Very low	34.3	Very low	156 Å²	156	111.4 Å²	111.4	61%	0.612	56%	0.558	S	S	*	*	H	α-helix	trans	-84.1	-27.3	178.9	-72.2	-73.5	0	0	0	113.9	K92 S99 T100	K92-Y96 HydrophobicContact CB-CD2 4.19Å; K92-Y96 HydrophobicContact CB-CE2 4.39Å; K92-Y96 HydrophobicContact CG-CE2 4.45Å; K92-Y96 WeakPolarHBondContact O-CD2 3.34Å; K92-Y96 PolarHBondContact O-N 2.84Å; Y96-S99 PolarHBondContact O-N 2.63Å; Y96-S99 PolarHBondContact O-OG 2.85Å; Y96-T100 PolarHBondContact O-OG1 3.2Å; Y96-T100 VanDerWaalsContact O-OG1 3.08Å
97	G	25.6	Very low	33.4	Very low	33 Å²	33	114.1 Å²	114.1	34%	0.34	58%	0.579	S	S	.	*	H	α-helix	trans	-74.2	-24.8	177	0	0	0	0	0	113.6	N93	N93-G97 WeakPolarHBondContact O-CA 3.4Å; N93-G97 PolarHBondContact O-N 3.27Å
98	L	25.6	Very low	32.8	Very low	117 Å²	117	115.3 Å²	115.3	61%	0.613	59%	0.59	S	S	*	*	H	α-helix	trans	-75.5	-27	172.7	-85.8	162.4	0	0	0	112.6	K94	K94-L98 WeakPolarHBondContact O-CD1 3.27Å
99	S	28	Very low	32	Very low	64 Å²	64	120.8 Å²	120.8	45%	0.448	61%	0.614	S	S	.	*	H	α-helix	trans	-82.8	-15.2	-179.1	68.5	0	0	0	0	114.2	Y96 L103	Y96-S99 PolarHBondContact O-N 2.63Å; Y96-S99 PolarHBondContact O-OG 2.85Å; S99-L103 WeakPolarHBondContact O-CD1 3.41Å
100	T	28.1	Very low	31	Very low	94 Å²	94	123.6 Å²	123.6	58%	0.577	63%	0.632	S	S	*	*	H	α-helix	trans	-111.3	-17.8	-175	43.3	0	0	0	0	114.1	Y96	Y96-T100 PolarHBondContact O-OG1 3.2Å; Y96-T100 VanDerWaalsContact O-OG1 3.08Å
101	H	30.9	Very low	29.9	Very low	171 Å²	171	127.9 Å²	127.9	79%	0.792	65%	0.649	S	S	*	*	S	Bend	trans	-97.9	-1.9	179.9	-105.5	-58.5	0	0	0	115.7
102	Q	31.1	Very low	29.1	Very low	164 Å²	164	135 Å²	135	77%	0.766	68%	0.678	S	S	*	*	S	Bend	trans	-113.2	0.7	175.4	-73.5	-157.9	-32.2	0	0	115
103	L	28.8	Very low	28.4	Very low	147 Å²	147	137.1 Å²	137.1	77%	0.77	69%	0.692	S	S	*	*	S	Bend	trans	-92.6	0.6	178.5	-92.6	160.7	0	0	0	114.5	S99	S99-L103 WeakPolarHBondContact O-CD1 3.41Å
104	D	27.8	Very low	27.5	Very low	148 Å²	148	139.6 Å²	139.6	79%	0.791	71%	0.705	S	S	*	*	S	Bend	trans	-109.4	15.4	-171.2	-105.7	-9.3	0	0	0	115.3
105	K	26.3	Very low	27.1	Very low	196 Å²	196	140.2 Å²	140.2	85%	0.852	72%	0.716	S	S	*	*			trans	-145.2	70.7	174.8	-67	-170.8	-179.1	-179	0	112.3
106	H	24.7	Very low	26.7	Very low	149 Å²	149	145.5 Å²	145.5	69%	0.69	74%	0.741	S	S	*	*			trans	-144.7	107.6	155.1	-135.9	-74.4	0	0	0	110	D108	H106-D108 VanDerWaalsContact C-N 3.26Å; H106-D108 IonicContact CE1-OD1 2.68Å; H106-D108 PolarHBondContact CE1-OD1 2.92Å; H106-D108 VanDerWaalsContact CE1-OD1 3.31Å; H106-D108 IonicContact CE1-OD2 3.29Å; H106-D108 PolarHBondContact CE1-OD2 3.39Å; H106-D108 VanDerWaalsContact CE1-OD2 3.31Å; H106-D108 IonicContact CG-OD1 3.31Å; H106-D108 IonicContact ND1-OD1 3.31Å; H106-D108 PolarHBondContact ND1-OD1 2.91Å; H106-D108 IonicContact ND1-OD2 3.54Å; H106-D108 PolarHBondContact ND1-OD2 3.48Å; H106-D108 PolarHBondContact O-N 2.67Å
107	P	24.7	Very low	26.5	Very low	128 Å²	128	142.3 Å²	142.3	83%	0.831	74%	0.741	S	S	*	*			trans	-84.6	67.4	-178.9	35.6	-31.9	0	0	0	110.7
108	D	30.1	Very low	26.3	Very low	114 Å²	114	152.3 Å²	152.3	61%	0.61	77%	0.77	S	S	*	*			trans	-139.5	51.8	178.9	-43.5	29.7	0	0	0	108.2	H106 N110	H106-D108 VanDerWaalsContact C-N 3.26Å; H106-D108 IonicContact CE1-OD1 2.68Å; H106-D108 PolarHBondContact CE1-OD1 2.92Å; H106-D108 VanDerWaalsContact CE1-OD1 3.31Å; H106-D108 IonicContact CE1-OD2 3.29Å; H106-D108 PolarHBondContact CE1-OD2 3.39Å; H106-D108 VanDerWaalsContact CE1-OD2 3.31Å; H106-D108 IonicContact CG-OD1 3.31Å; H106-D108 IonicContact ND1-OD1 3.31Å; H106-D108 PolarHBondContact ND1-OD1 2.91Å; H106-D108 IonicContact ND1-OD2 3.54Å; H106-D108 PolarHBondContact ND1-OD2 3.48Å; H106-D108 PolarHBondContact O-N 2.67Å; D108-N110 PolarHBondContact O-N 3.23Å
109	Q	26.8	Very low	26.3	Very low	179 Å²	179	152.6 Å²	152.6	84%	0.836	78%	0.777	S	S	*	*			trans	-76.2	105.3	164.4	-67	-161.5	-28	0	0	107.5
110	N	25.4	Very low	26	Very low	156 Å²	156	151.9 Å²	151.9	83%	0.834	78%	0.78	S	S	*	*	S	Bend	trans	164.1	100.6	145.7	-80.4	-24.2	0	0	0	110	D108	D108-N110 PolarHBondContact O-N 3.23Å
111	E	24.3	Very low	25.8	Very low	179 Å²	179	156 Å²	156	84%	0.836	80%	0.797	S	S	*	*			trans	132.9	77.9	163	-83.4	-174.5	160.6	0	0	109.8
112	F	26.4	Very low	25.5	Very low	224 Å²	224	156.4 Å²	156.4	98%	0.982	80%	0.802	S	S	*	*			trans	-162.2	71.9	144.9	-92.3	-67.4	0	0	0	106.7
113	I	24.6	Very low	25.2	Very low	152 Å²	152	152.5 Å²	152.5	78%	0.779	79%	0.792	S	S	*	*			trans	-94.3	127.1	162.3	-70.1	175.2	0	0	0	105.8
114	N	22.4	Very low	25.4	Very low	152 Å²	152	150.1 Å²	150.1	81%	0.813	79%	0.785	S	S	*	*			trans	79.2	84	167.7	-60.1	-15.5	0	0	0	118.5
115	D	27.6	Very low	25.4	Very low	164 Å²	164	145.7 Å²	145.7	88%	0.877	77%	0.766	S	S	*	*				-152.7	128.4	127.2	-135.8	-10.9	0	0	0	110.4	S117	D115-S117 PolarHBondContact O-N 3.39Å
116	D	22.7	Very low	25.8	Very low	169 Å²	169	139.6 Å²	139.6	90%	0.904	74%	0.742	S	S	*	*	S	Bend	trans	-70.5	82.9	-174.9	-75.3	-41.9	0	0	0	111.7
117	S	24.7	Very low	26.3	Very low	89 Å²	89	139 Å²	139	62%	0.622	74%	0.737	S	S	*	*			trans	-164.5	96.1	145.7	59.3	0	0	0	0	111.2	D115 T119	D115-S117 PolarHBondContact O-N 3.39Å; S117-T119 PolarHBondContact O-N 3.31Å
118	Y	22.5	Very low	26.9	Very low	242 Å²	242	137 Å²	137	95%	0.949	72%	0.719	S	S	*	*			trans	-66	75.9	171.1	-136.8	-92.6	0	0	0	109.9	G120	Y118-G120 PolarHBondContact O-N 2.77Å; Y118-G120 VanDerWaalsContact O-N 3.1Å
119	T	24.7	Very low	27.3	Very low	124 Å²	124	137.1 Å²	137.1	76%	0.761	72%	0.715	S	S	*	*			trans	-86.1	61.5	170.8	41.8	0	0	0	0	109.5	S117 L121	S117-T119 PolarHBondContact O-N 3.31Å; T119-L121 PolarHBondContact O-N 2.97Å
120	G	22	Very low	27.7	Very low	49 Å²	49	132 Å²	132	51%	0.505	69%	0.692	S	S	.	*			trans	-56.8	120.8	159.7	0	0	0	0	0	107.6	Y118 M122	Y118-G120 PolarHBondContact O-N 2.77Å; Y118-G120 VanDerWaalsContact O-N 3.1Å; G120-M122 VanDerWaalsContact C-N 3.28Å; G120-M122 PolarHBondContact O-N 2.86Å
121	L	24	Very low	28.4	Very low	180 Å²	180	128.6 Å²	128.6	94%	0.942	67%	0.671	S	S	*	*			trans	-49.4	88.8	176.5	-81.8	147.7	0	0	0	110.5	T119 C123	T119-L121 PolarHBondContact O-N 2.97Å; L121-C123 PolarHBondContact O-N 3.38Å
122	M	24.6	Very low	29.2	Very low	179 Å²	179	123.1 Å²	123.1	88%	0.882	65%	0.652	S	S	*	*			trans	-74.7	112.6	171.9	-79.1	-169.2	160	0	0	107.3	G120	G120-M122 VanDerWaalsContact C-N 3.28Å; G120-M122 PolarHBondContact O-N 2.86Å
123	C	25.2	Very low	29.8	Very low	82 Å²	82	115.6 Å²	115.6	55%	0.554	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-54.2	126.6	161.9	-76.4	0	0	0	0	107.7	L121 S125	L121-C123 PolarHBondContact O-N 3.38Å; C123-S125 PolarHBondContact O-N 2.95Å
124	P	31.8	Very low	30.2	Very low	98 Å²	98	111 Å²	111	64%	0.636	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-52.7	132.3	174.7	-20.8	30.8	0	0	0	107.9	D128	P124-D128 HydrophobicContact CB-CB 4.02Å
125	S	27.9	Very low	30.8	Very low	55 Å²	55	109.5 Å²	109.5	39%	0.385	58%	0.584	S	S	.	*	P	Polyproline II helix	trans	-58.9	147.6	175.4	70.7	0	0	0	0	107.8	C123 K127 D128 F129	C123-S125 PolarHBondContact O-N 2.95Å; S125-K127 CarbonylContact O-C 3.48Å; S125-K127 PolarHBondContact O-N 3.4Å; S125-K127 WeakPolarHBondContact OG-CB 3.31Å; S125-D128 WeakPolarHBondContact CB-OD2 3.43Å; S125-D128 PolarHBondContact N-OD2 3Å; S125-D128 WeakPolarHBondContact O-CA 3.45Å; S125-D128 WeakPolarHBondContact O-CB 3.36Å; S125-D128 PolarHBondContact O-N 3.16Å; S125-D128 PolarHBondContact OG-N 3.02Å; S125-D128 PolarHBondContact OG-OD1 3.47Å; S125-D128 PolarHBondContact OG-OD2 3.34Å; S125-F129 PolarHBondContact O-N 2.92Å
126	I	34.4	Very low	31.1	Very low	68 Å²	68	108.7 Å²	108.7	35%	0.349	57%	0.573	S	S	.	*	H	α-helix	trans	-52.5	-25.3	175.6	-70.5	168.8	0	0	0	111	I88 F129 I130	I88-I126 HydrophobicContact CG2-CD1 4.23Å; I126-F129 PolarHBondContact O-N 2.99Å; I126-I130 HydrophobicContact CG2-CD1 3.45Å; I126-I130 VanDerWaalsContact CG2-CD1 3.45Å; I126-I130 HydrophobicContact CG2-CG1 4.07Å; I126-I130 WeakPolarHBondContact O-CB 3.37Å; I126-I130 VanDerWaalsContact O-CG1 3.27Å; I126-I130 WeakPolarHBondContact O-CG1 3.45Å; I126-I130 PolarHBondContact O-N 3.19Å
127	K	34.8	Very low	31.4	Very low	137 Å²	137	104 Å²	104	60%	0.596	55%	0.553	S	S	*	*	H	α-helix	trans	-60.6	-45.9	171	-169.5	-174.7	175.4	-169.7	0	112.2	S125 F129 I130 E131	S125-K127 CarbonylContact O-C 3.48Å; S125-K127 PolarHBondContact O-N 3.4Å; S125-K127 WeakPolarHBondContact OG-CB 3.31Å; K127-F129 VanDerWaalsContact C-N 3.26Å; K127-F129 PolarHBondContact O-N 3.47Å; K127-I130 PolarHBondContact O-N 2.78Å; K127-E131 WeakPolarHBondContact O-CB 3.44Å; K127-E131 PolarHBondContact O-N 2.88Å
128	D	39	Very low	31.4	Very low	85 Å²	85	103.3 Å²	103.3	46%	0.455	55%	0.548	S	S	.	.	H	α-helix	trans	-68.1	-25.4	176.9	-52.3	-40.8	0	0	0	112.4	P124 S125 P132	P124-D128 HydrophobicContact CB-CB 4.02Å; S125-D128 WeakPolarHBondContact CB-OD2 3.43Å; S125-D128 PolarHBondContact N-OD2 3Å; S125-D128 WeakPolarHBondContact O-CA 3.45Å; S125-D128 WeakPolarHBondContact O-CB 3.36Å; S125-D128 PolarHBondContact O-N 3.16Å; S125-D128 PolarHBondContact OG-N 3.02Å; S125-D128 PolarHBondContact OG-OD1 3.47Å; S125-D128 PolarHBondContact OG-OD2 3.34Å; D128-P132 WeakPolarHBondContact O-CD 3.24Å; D128-P132 VanDerWaalsContact O-CG 3.24Å; D128-P132 WeakPolarHBondContact O-CG 3.23Å
129	F	37.7	Very low	31.5	Very low	116 Å²	116	96.2 Å²	96.2	51%	0.509	53%	0.529	S	S	.	.	H	α-helix	trans	-79.5	-40.4	175.4	-166.7	-97.3	0	0	0	112.5	S125 I126 K127 L133	S125-F129 PolarHBondContact O-N 2.92Å; I126-F129 PolarHBondContact O-N 2.99Å; K127-F129 VanDerWaalsContact C-N 3.26Å; K127-F129 PolarHBondContact O-N 3.47Å; F129-L133 HydrophobicContact CD1-CD1 3.92Å; F129-L133 HydrophobicContact CE1-CD1 3.69Å; F129-L133 HydrophobicContact CZ-CD1 4.39Å; F129-L133 WeakPolarHBondContact O-CD1 3.22Å
130	I	35.5	Very low	31.6	Very low	72 Å²	72	98 Å²	98	37%	0.369	53%	0.526	S	S	.	.	H	α-helix	trans	-82.1	-35	-174.8	-66.4	175.3	0	0	0	111.9	I126 K127 L133 L134	I126-I130 HydrophobicContact CG2-CD1 3.45Å; I126-I130 VanDerWaalsContact CG2-CD1 3.45Å; I126-I130 HydrophobicContact CG2-CG1 4.07Å; I126-I130 WeakPolarHBondContact O-CB 3.37Å; I126-I130 VanDerWaalsContact O-CG1 3.27Å; I126-I130 WeakPolarHBondContact O-CG1 3.45Å; I126-I130 PolarHBondContact O-N 3.19Å; K127-I130 PolarHBondContact O-N 2.78Å; I130-L133 WeakPolarHBondContact O-CB 3.42Å; I130-L133 PolarHBondContact O-N 3.02Å; I130-L134 HydrophobicContact CG2-CD1 3.61Å; I130-L134 HydrophobicContact CG2-CG 3.89Å; I130-L134 WeakPolarHBondContact O-CG 2.98Å; I130-L134 PolarHBondContact O-N 2.99Å
131	E	39.4	Very low	31.6	Very low	84 Å²	84	104.2 Å²	104.2	39%	0.393	54%	0.536	S	S	.	.	H	α-helix	trans	-61.1	-43.4	-175.6	-160.7	-171.4	144.7	0	0	113.6	K127 L133 L134 K135	K127-E131 WeakPolarHBondContact O-CB 3.44Å; K127-E131 PolarHBondContact O-N 2.88Å; E131-L133 PolarHBondContact O-N 3.44Å; E131-L134 PolarHBondContact O-N 3.48Å; E131-K135 PolarHBondContact O-N 2.85Å; E131-K135 IonicContact OE1-NZ 2.83Å; E131-K135 PolarHBondContact OE1-NZ 2.89Å
132	P	42	Very low	31.6	Very low	65 Å²	65	98.4 Å²	98.4	42%	0.422	51%	0.51	S	S	.	.	H	α-helix	trans	-68.2	-33.5	175.4	-18.8	32.4	0	0	0	113.1	D128 K135 K136	D128-P132 WeakPolarHBondContact O-CD 3.24Å; D128-P132 VanDerWaalsContact O-CG 3.24Å; D128-P132 WeakPolarHBondContact O-CG 3.23Å; P132-K135 PolarHBondContact O-N 3.5Å; P132-K136 WeakPolarHBondContact O-CB 3.18Å; P132-K136 PolarHBondContact O-N 2.97Å
133	L	37.7	Very low	31.6	Very low	65 Å²	65	97.9 Å²	97.9	34%	0.34	50%	0.503	S	S	.	.	H	α-helix	trans	-66.5	-39	176.6	-83.9	164.6	0	0	0	111.7	A16 F129 I130 E131 S137	A16-L133 HydrophobicContact CB-CD2 3.92Å; F129-L133 HydrophobicContact CD1-CD1 3.92Å; F129-L133 HydrophobicContact CE1-CD1 3.69Å; F129-L133 HydrophobicContact CZ-CD1 4.39Å; F129-L133 WeakPolarHBondContact O-CD1 3.22Å; I130-L133 WeakPolarHBondContact O-CB 3.42Å; I130-L133 PolarHBondContact O-N 3.02Å; E131-L133 PolarHBondContact O-N 3.44Å; L133-S137 VanDerWaalsContact O-CB 3.28Å; L133-S137 WeakPolarHBondContact O-CB 3.36Å; L133-S137 PolarHBondContact O-N 3.47Å; L133-S137 PolarHBondContact O-OG 2.98Å
134	L	33.7	Very low	31.8	Very low	55 Å²	55	98 Å²	98	29%	0.288	51%	0.505	S	S	.	.	H	α-helix	trans	-69.7	-45.3	174	-68.7	175	0	0	0	110.9	I130 E131 K136 S137 C138 F172	I130-L134 HydrophobicContact CG2-CD1 3.61Å; I130-L134 HydrophobicContact CG2-CG 3.89Å; I130-L134 WeakPolarHBondContact O-CG 2.98Å; I130-L134 PolarHBondContact O-N 2.99Å; E131-L134 PolarHBondContact O-N 3.48Å; L134-K136 PolarHBondContact O-N 2.94Å; L134-S137 PolarHBondContact O-N 3.24Å; L134-C138 VanDerWaalsContact O-CB 3.31Å; L134-C138 WeakPolarHBondContact O-CB 3.33Å; L134-C138 PolarHBondContact O-N 2.88Å; L134-C138 PolarHBondContact O-SG 3.2Å; L134-F172 HydrophobicContact CD2-CD2 4.36Å; L134-F172 HydrophobicContact CD2-CE2 4.04Å; L134-F172 HydrophobicContact CD2-CZ 4.16Å
135	K	34.5	Very low	31.6	Very low	122 Å²	122	101.3 Å²	101.3	53%	0.53	51%	0.512	S	S	.	.	H	α-helix	trans	-57.4	-48.5	175	-83.8	174	173.2	155	0	112.2	E131 P132 C138 V139	E131-K135 PolarHBondContact O-N 2.85Å; E131-K135 IonicContact OE1-NZ 2.83Å; E131-K135 PolarHBondContact OE1-NZ 2.89Å; P132-K135 PolarHBondContact O-N 3.5Å; K135-C138 PolarHBondContact O-N 3.44Å; K135-V139 VanDerWaalsContact O-CG2 3.23Å; K135-V139 WeakPolarHBondContact O-CG2 3.24Å; K135-V139 PolarHBondContact O-N 3.15Å; K135-V139 VanDerWaalsContact O-N 3.08Å
136	K	34.7	Very low	31.4	Very low	146 Å²	146	104.6 Å²	104.6	64%	0.635	53%	0.525	S	S	*	.	H	α-helix	trans	-70.1	-32.6	-179.6	-75.1	-178.6	178.5	175.5	0	113.6	P132 L134 K140	P132-K136 WeakPolarHBondContact O-CB 3.18Å; P132-K136 PolarHBondContact O-N 2.97Å; L134-K136 PolarHBondContact O-N 2.94Å; K136-K140 PolarHBondContact O-N 3.39Å
137	S	27.8	Very low	31	Very low	70 Å²	70	108.6 Å²	108.6	49%	0.49	55%	0.547	S	S	.	.	H	α-helix	trans	-74.2	-36.3	176	-59.4	0	0	0	0	112.3	L133 L134 K140 Y141	L133-S137 VanDerWaalsContact O-CB 3.28Å; L133-S137 WeakPolarHBondContact O-CB 3.36Å; L133-S137 PolarHBondContact O-N 3.47Å; L133-S137 PolarHBondContact O-OG 2.98Å; L134-S137 PolarHBondContact O-N 3.24Å; S137-K140 PolarHBondContact O-N 2.84Å; S137-Y141 PolarHBondContact O-N 3.44Å; S137-Y141 VanDerWaalsContact O-N 3.1Å
138	C	24.6	Very low	30.6	Very low	76 Å²	76	111.2 Å²	111.2	51%	0.514	56%	0.558	S	S	.	*	H	α-helix	trans	-67.1	-38.8	174.3	-72.2	0	0	0	0	112.3	L134 K135 K140 Y141 S142	L134-C138 VanDerWaalsContact O-CB 3.31Å; L134-C138 WeakPolarHBondContact O-CB 3.33Å; L134-C138 PolarHBondContact O-N 2.88Å; L134-C138 PolarHBondContact O-SG 3.2Å; K135-C138 PolarHBondContact O-N 3.44Å; C138-K140 PolarHBondContact O-N 3.44Å; C138-Y141 PolarHBondContact O-N 3.31Å; C138-S142 WeakPolarHBondContact O-CB 3.41Å; C138-S142 PolarHBondContact O-N 3.33Å
139	V	26.3	Very low	29.9	Very low	92 Å²	92	114.5 Å²	114.5	56%	0.558	57%	0.57	S	S	*	*	H	α-helix	trans	-67	-34.6	176.6	173.7	0	0	0	0	111.9	K135	K135-V139 VanDerWaalsContact O-CG2 3.23Å; K135-V139 WeakPolarHBondContact O-CG2 3.24Å; K135-V139 PolarHBondContact O-N 3.15Å; K135-V139 VanDerWaalsContact O-N 3.08Å
140	K	26.2	Very low	29.2	Very low	162 Å²	162	113.5 Å²	113.5	70%	0.704	58%	0.576	S	S	*	*	H	α-helix	trans	-75.6	-33.2	175.9	-96.6	-175.8	173.7	-178.6	0	114	K136 S137 C138	K136-K140 PolarHBondContact O-N 3.39Å; S137-K140 PolarHBondContact O-N 2.84Å; C138-K140 PolarHBondContact O-N 3.44Å
141	Y	22.8	Very low	28.7	Very low	180 Å²	180	116.2 Å²	116.2	71%	0.706	59%	0.591	S	S	*	*	H	α-helix	trans	-75.4	-25.3	175.2	-107.1	-89.2	0	0	0	113	S137 C138 F143	S137-Y141 PolarHBondContact O-N 3.44Å; S137-Y141 VanDerWaalsContact O-N 3.1Å; C138-Y141 PolarHBondContact O-N 3.31Å; Y141-F143 VanDerWaalsContact C-N 3.33Å
142	S	23.8	Very low	28	Very low	58 Å²	58	120.9 Å²	120.9	41%	0.406	61%	0.613	S	S	.	*	H	α-helix	trans	-72.2	-20.5	174.9	179.1	0	0	0	0	113.8	C138 L146	C138-S142 WeakPolarHBondContact O-CB 3.41Å; C138-S142 PolarHBondContact O-N 3.33Å; S142-L146 WeakPolarHBondContact O-CD1 3.48Å
143	F	24.7	Very low	27.2	Very low	167 Å²	167	125 Å²	125	73%	0.732	63%	0.631	S	S	*	*	H	α-helix	trans	-98.2	-13.8	-176.3	-96	-89.5	0	0	0	114.1	Y141	Y141-F143 VanDerWaalsContact C-N 3.33Å
144	S	28	Very low	26.4	Very low	84 Å²	84	129.3 Å²	129.3	59%	0.587	65%	0.649	S	S	*	*	S	Bend	trans	-103	2.8	-174.8	62	0	0	0	0	115.2
145	Q	27.3	Very low	26	Very low	169 Å²	169	136.8 Å²	136.8	79%	0.79	68%	0.68	S	S	*	*	S	Bend	trans	-136.8	5.5	174.9	-71.5	-152.6	26.8	0	0	115
146	L	25.1	Very low	25.4	Very low	123 Å²	123	137.6 Å²	137.6	64%	0.644	69%	0.689	S	S	*	*			trans	-96.9	10	177.8	-94.3	156.4	0	0	0	113.9	S142 K148	S142-L146 WeakPolarHBondContact O-CD1 3.48Å; L146-K148 PolarHBondContact O-N 3.31Å
147	D	26.4	Very low	24.8	Very low	153 Å²	153	138 Å²	138	82%	0.818	70%	0.698	S	S	*	*	S	Bend	trans	-81.9	20.8	-172.8	-126.4	2.6	0	0	0	114.9
148	K	25	Very low	24.6	Very low	192 Å²	192	141.3 Å²	141.3	84%	0.835	71%	0.71	S	S	*	*	S	Bend	trans	-150.9	69.3	175.4	-67.1	-170.9	-177.7	178.7	0	111.3	L146	L146-K148 PolarHBondContact O-N 3.31Å
149	H	23.7	Very low	24.5	Very low	153 Å²	153	146 Å²	146	71%	0.708	73%	0.73	S	S	*	*			trans	-150.4	114.7	148.2	-135.1	-78	0	0	0	109.3
150	P	23.2	Very low	24.4	Very low	96 Å²	96	145.2 Å²	145.2	62%	0.623	73%	0.729	S	S	*	*			trans	-69.2	165.8	159.4	34.6	-28.4	0	0	0	106.8
151	D	25.2	Very low	24.2	Very low	128 Å²	128	149.2 Å²	149.2	68%	0.684	74%	0.741	S	S	*	*			trans	87.7	132.6	172.3	-22.8	-27.8	0	0	0	114
152	Q	25.8	Very low	24	Very low	182 Å²	182	146 Å²	146	85%	0.85	74%	0.74	S	S	*	*			trans	98.6	78.7	173.2	-50.1	-164.9	-5.5	0	0	114.3
153	N	23.9	Very low	23.9	Very low	151 Å²	151	146.6 Å²	146.6	81%	0.807	76%	0.756	S	S	*	*				57.8	118.9	79.8	-67.6	-13.5	0	0	0	114.2
154	E	22.7	Very low	23.8	Very low	156 Å²	156	146.8 Å²	146.8	73%	0.729	76%	0.763	S	S	*	*			trans	54.6	92	154	-68.4	179.6	158.6	0	0	118.5
155	F	24.4	Very low	23.6	Very low	212 Å²	212	151.9 Å²	151.9	93%	0.93	78%	0.78	S	S	*	*			trans	-132.4	84.6	136.9	-84	-79.5	0	0	0	109.1
156	I	22.2	Very low	23.5	Very low	139 Å²	139	148.7 Å²	148.7	71%	0.713	78%	0.775	S	S	*	*			trans	-69.1	141.4	162.8	-67.9	168.8	0	0	0	107.5	D158	I156-D158 PolarHBondContact O-N 2.96Å
157	N	22.3	Very low	23.6	Very low	155 Å²	155	146.8 Å²	146.8	83%	0.829	77%	0.77	S	S	*	*			trans	-20.3	115.4	166.1	-69.7	-24.1	0	0	0	115
158	D	22.6	Very low	23.8	Very low	140 Å²	140	142.1 Å²	142.1	75%	0.749	75%	0.75	S	S	*	*			trans	-157.5	143.1	142.6	-128.2	-16.7	0	0	0	108.5	I156 S160	I156-D158 PolarHBondContact O-N 2.96Å; D158-S160 PolarHBondContact O-N 3.41Å
159	D	23.9	Very low	24.3	Very low	174 Å²	174	138 Å²	138	93%	0.93	74%	0.736	S	S	*	*			trans	-67.1	37	-178	-68.9	-43	0	0	0	113.6
160	S	22.9	Very low	25.1	Very low	75 Å²	75	137.8 Å²	137.8	52%	0.524	73%	0.733	S	S	.	*			trans	-95.4	101	177.4	64	0	0	0	0	109.2	D158 T162	D158-S160 PolarHBondContact O-N 3.41Å; S160-T162 VanDerWaalsContact CB-OG1 3.26Å; S160-T162 WeakPolarHBondContact CB-OG1 3.12Å; S160-T162 PolarHBondContact O-N 3.21Å; S160-T162 PolarHBondContact O-OG1 3.49Å; S160-T162 VanDerWaalsContact O-OG1 3.07Å; S160-T162 PolarHBondContact OG-OG1 2.96Å; S160-T162 VanDerWaalsContact OG-OG1 3.08Å
161	Y	21.8	Very low	26	Very low	247 Å²	247	136.7 Å²	136.7	97%	0.969	72%	0.722	S	S	*	*			trans	-59.3	80	161.3	-101.4	-99.9	0	0	0	109.1
162	T	20	Very low	26.7	Very low	112 Å²	112	135.1 Å²	135.1	69%	0.687	71%	0.709	S	S	*	*			trans	-116.1	100.5	-179.9	-14.9	0	0	0	0	108.7	S160	S160-T162 VanDerWaalsContact CB-OG1 3.26Å; S160-T162 WeakPolarHBondContact CB-OG1 3.12Å; S160-T162 PolarHBondContact O-N 3.21Å; S160-T162 PolarHBondContact O-OG1 3.49Å; S160-T162 VanDerWaalsContact O-OG1 3.07Å; S160-T162 PolarHBondContact OG-OG1 2.96Å; S160-T162 VanDerWaalsContact OG-OG1 3.08Å
163	G	20.9	Very low	27.3	Very low	71 Å²	71	130.3 Å²	130.3	73%	0.732	69%	0.688	S	S	*	*			trans	88	59.9	131.4	0	0	0	0	0	118.9
164	L	22.8	Very low	28.3	Very low	170 Å²	170	127.2 Å²	127.2	89%	0.89	67%	0.669	S	S	*	*			trans	-136.9	94.8	142.2	-89.6	164.7	0	0	0	107.3	C166	L164-C166 PolarHBondContact O-N 3.17Å
165	M	22.5	Very low	29.2	Very low	192 Å²	192	123.8 Å²	123.8	95%	0.946	66%	0.656	S	S	*	*			trans	-57.2	108.5	175.4	-82.6	-171	153	0	0	108.8
166	C	25.9	Very low	29.8	Very low	101 Å²	101	116.8 Å²	116.8	68%	0.682	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-56.8	133	162.5	-77	0	0	0	0	107.1	L164 S168	L164-C166 PolarHBondContact O-N 3.17Å; C166-S168 PolarHBondContact O-N 3.13Å
167	P	28	Very low	30.5	Very low	83 Å²	83	115.9 Å²	115.9	54%	0.539	62%	0.619	S	S	.	*	P	Polyproline II helix	trans	-49.4	133	171.8	-14.4	22.4	0	0	0	107.1	I169 D171	P167-I169 PolarHBondContact O-N 2.81Å; P167-D171 HydrophobicContact CB-CB 3.56Å
168	S	29.5	Very low	31	Very low	56 Å²	56	110.9 Å²	110.9	39%	0.392	59%	0.592	S	S	.	*	P	Polyproline II helix	trans	-53.4	150.5	175.5	66	0	0	0	0	108.1	C166 K170 D171 F172	C166-S168 PolarHBondContact O-N 3.13Å; S168-K170 CarbonylContact O-C 3.5Å; S168-K170 PolarHBondContact O-N 2.75Å; S168-K170 WeakPolarHBondContact OG-CB 3.47Å; S168-D171 WeakPolarHBondContact CB-OD2 3.47Å; S168-D171 PolarHBondContact N-OD2 2.84Å; S168-D171 WeakPolarHBondContact O-CA 3.49Å; S168-D171 WeakPolarHBondContact O-CB 3.4Å; S168-D171 PolarHBondContact O-N 2.92Å; S168-D171 PolarHBondContact OG-N 2.71Å; S168-D171 PolarHBondContact OG-OD2 3.06Å; S168-F172 PolarHBondContact O-N 2.92Å
169	I	37	Very low	31.5	Very low	104 Å²	104	111.7 Å²	111.7	53%	0.533	59%	0.589	S	S	.	*	H	α-helix	trans	-49.8	-30	174.5	-70.3	169.2	0	0	0	110.4	P167 F172 I173	P167-I169 PolarHBondContact O-N 2.81Å; I169-F172 PolarHBondContact O-N 3.5Å; I169-I173 HydrophobicContact CG2-CD1 3.72Å; I169-I173 HydrophobicContact CG2-CG1 4.38Å; I169-I173 WeakPolarHBondContact O-CB 3.28Å; I169-I173 WeakPolarHBondContact O-CD1 3.25Å; I169-I173 WeakPolarHBondContact O-CG1 3.46Å; I169-I173 PolarHBondContact O-N 3.19Å
170	K	39.3	Very low	31.7	Very low	150 Å²	150	106.8 Å²	106.8	65%	0.652	57%	0.567	S	S	*	*	H	α-helix	trans	-60	-50	170.5	-168.5	-175.8	175.8	-170	0	112.6	S168 F172 I173 E174	S168-K170 CarbonylContact O-C 3.5Å; S168-K170 PolarHBondContact O-N 2.75Å; S168-K170 WeakPolarHBondContact OG-CB 3.47Å; K170-F172 PolarHBondContact O-N 3.47Å; K170-I173 PolarHBondContact O-N 3.29Å; K170-E174 VanDerWaalsContact O-CB 3.25Å; K170-E174 WeakPolarHBondContact O-CB 3.33Å; K170-E174 PolarHBondContact O-N 2.82Å
171	D	42.5	Very low	32	Very low	73 Å²	73	111.4 Å²	111.4	39%	0.39	57%	0.574	S	S	.	*	H	α-helix	trans	-64.1	-36.3	176.1	-59.2	-44	0	0	0	112.9	P167 S168 E174 N175	P167-D171 HydrophobicContact CB-CB 3.56Å; S168-D171 WeakPolarHBondContact CB-OD2 3.47Å; S168-D171 PolarHBondContact N-OD2 2.84Å; S168-D171 WeakPolarHBondContact O-CA 3.49Å; S168-D171 WeakPolarHBondContact O-CB 3.4Å; S168-D171 PolarHBondContact O-N 2.92Å; S168-D171 PolarHBondContact OG-N 2.71Å; S168-D171 PolarHBondContact OG-OD2 3.06Å; D171-E174 PolarHBondContact O-N 2.83Å; D171-N175 VanDerWaalsContact O-CB 3.31Å; D171-N175 WeakPolarHBondContact O-CB 3.35Å; D171-N175 PolarHBondContact O-N 3.07Å
172	F	39.4	Very low	32.1	Very low	95 Å²	95	102.9 Å²	102.9	42%	0.417	56%	0.561	S	S	.	*	H	α-helix	trans	-65.4	-44.7	174.5	176.8	-103.6	0	0	0	111.5	L134 S168 I169 K170 E174 N175 L176	L134-F172 HydrophobicContact CD2-CD2 4.36Å; L134-F172 HydrophobicContact CD2-CE2 4.04Å; L134-F172 HydrophobicContact CD2-CZ 4.16Å; S168-F172 PolarHBondContact O-N 2.92Å; I169-F172 PolarHBondContact O-N 3.5Å; K170-F172 PolarHBondContact O-N 3.47Å; F172-E174 VanDerWaalsContact C-N 3.34Å; F172-N175 PolarHBondContact O-N 3.15Å; F172-L176 HydrophobicContact CD1-CD1 3.82Å; F172-L176 HydrophobicContact CE1-CD1 3.29Å; F172-L176 HydrophobicContact CE2-CD1 4.17Å; F172-L176 HydrophobicContact CG-CD1 4.46Å; F172-L176 HydrophobicContact CZ-CD1 3.5Å; F172-L176 VanDerWaalsContact CZ-CD1 3.5Å; F172-L176 WeakPolarHBondContact O-CB 3.45Å; F172-L176 PolarHBondContact O-N 2.92Å
173	I	39.5	Very low	32.3	Very low	81 Å²	81	102.7 Å²	102.7	42%	0.415	56%	0.556	S	S	.	*	H	α-helix	trans	-65.2	-38.7	175.5	-69.2	167.7	0	0	0	110.8	I169 K170 L176 K177	I169-I173 HydrophobicContact CG2-CD1 3.72Å; I169-I173 HydrophobicContact CG2-CG1 4.38Å; I169-I173 WeakPolarHBondContact O-CB 3.28Å; I169-I173 WeakPolarHBondContact O-CD1 3.25Å; I169-I173 WeakPolarHBondContact O-CG1 3.46Å; I169-I173 PolarHBondContact O-N 3.19Å; K170-I173 PolarHBondContact O-N 3.29Å; I173-L176 WeakPolarHBondContact O-CB 3.2Å; I173-L176 PolarHBondContact O-N 2.89Å; I173-K177 HydrophobicContact CG2-CD 4.48Å; I173-K177 WeakPolarHBondContact O-CG 3.31Å; I173-K177 PolarHBondContact O-N 2.91Å
174	E	43.6	Very low	32.5	Very low	85 Å²	85	102.3 Å²	102.3	40%	0.397	54%	0.542	S	S	.	.	H	α-helix	trans	-71	-38.5	179.2	-163.7	159.3	-172.3	0	0	111.5	K170 D171 F172 K177 N178	K170-E174 VanDerWaalsContact O-CB 3.25Å; K170-E174 WeakPolarHBondContact O-CB 3.33Å; K170-E174 PolarHBondContact O-N 2.82Å; D171-E174 PolarHBondContact O-N 2.83Å; F172-E174 VanDerWaalsContact C-N 3.34Å; E174-K177 WeakPolarHBondContact O-CB 3.4Å; E174-K177 PolarHBondContact O-N 3.35Å; E174-N178 WeakPolarHBondContact O-CB 3.42Å; E174-N178 VanDerWaalsContact O-CG 3.27Å; E174-N178 PolarHBondContact O-N 3.02Å
175	N	42.8	Very low	32.9	Very low	84 Å²	84	98.4 Å²	98.4	45%	0.449	53%	0.525	S	S	.	.	H	α-helix	trans	-65.5	-39	170.7	-112.8	-40.8	0	0	0	112.5	D171 F172 K177 N178 K179	D171-N175 VanDerWaalsContact O-CB 3.31Å; D171-N175 WeakPolarHBondContact O-CB 3.35Å; D171-N175 PolarHBondContact O-N 3.07Å; F172-N175 PolarHBondContact O-N 3.15Å; N175-K177 VanDerWaalsContact C-N 3.34Å; N175-N178 PolarHBondContact O-N 3.08Å; N175-K179 WeakPolarHBondContact O-CB 3.31Å; N175-K179 WeakPolarHBondContact O-CG 3.23Å; N175-K179 PolarHBondContact O-N 2.82Å
176	L	37.4	Very low	33.3	Very low	65 Å²	65	97.9 Å²	97.9	34%	0.34	52%	0.52	S	S	.	.	H	α-helix	trans	-61.5	-43.2	172.1	-101.6	153.9	0	0	0	110.8	F172 I173 K179 C180	F172-L176 HydrophobicContact CD1-CD1 3.82Å; F172-L176 HydrophobicContact CE1-CD1 3.29Å; F172-L176 HydrophobicContact CE2-CD1 4.17Å; F172-L176 HydrophobicContact CG-CD1 4.46Å; F172-L176 HydrophobicContact CZ-CD1 3.5Å; F172-L176 VanDerWaalsContact CZ-CD1 3.5Å; F172-L176 WeakPolarHBondContact O-CB 3.45Å; F172-L176 PolarHBondContact O-N 2.92Å; I173-L176 WeakPolarHBondContact O-CB 3.2Å; I173-L176 PolarHBondContact O-N 2.89Å; L176-K179 PolarHBondContact O-N 3.25Å; L176-C180 WeakPolarHBondContact O-CB 3.41Å; L176-C180 PolarHBondContact O-N 2.97Å; L176-C180 PolarHBondContact O-SG 3.46Å
177	K	35	Very low	33.4	Very low	121 Å²	121	100.5 Å²	100.5	53%	0.526	52%	0.522	S	S	.	.	H	α-helix	trans	-62.3	-48.7	174.4	-75.9	176.7	177.9	-176.7	0	111.7	I173 E174 N175 K179 C180 Y181	I173-K177 HydrophobicContact CG2-CD 4.48Å; I173-K177 WeakPolarHBondContact O-CG 3.31Å; I173-K177 PolarHBondContact O-N 2.91Å; E174-K177 WeakPolarHBondContact O-CB 3.4Å; E174-K177 PolarHBondContact O-N 3.35Å; N175-K177 VanDerWaalsContact C-N 3.34Å; K177-K179 VanDerWaalsContact C-N 3.29Å; K177-K179 PolarHBondContact O-N 3.46Å; K177-C180 PolarHBondContact O-N 3.23Å; K177-Y181 HydrophobicContact CB-CD2 4.31Å; K177-Y181 WeakPolarHBondContact O-CB 3.37Å; K177-Y181 VanDerWaalsContact O-CD2 3.28Å; K177-Y181 WeakPolarHBondContact O-CD2 3.21Å; K177-Y181 PolarHBondContact O-N 3.1Å
178	N	33.3	Very low	33.4	Very low	49 Å²	49	103.9 Å²	103.9	26%	0.262	54%	0.535	S	S	.	.	H	α-helix	trans	-63.9	-35.2	-178.3	-69	-10.3	0	0	0	112.1	E174 N175 G182 L183	E174-N178 WeakPolarHBondContact O-CB 3.42Å; E174-N178 VanDerWaalsContact O-CG 3.27Å; E174-N178 PolarHBondContact O-N 3.02Å; N175-N178 PolarHBondContact O-N 3.08Å; N178-G182 PolarHBondContact O-N 3.47Å; N178-G182 VanDerWaalsContact O-N 3.17Å; N178-L183 PolarHBondContact OD1-O 3.3Å
179	K	34.5	Very low	33.3	Very low	158 Å²	158	108.7 Å²	108.7	69%	0.687	56%	0.556	S	S	*	*	H	α-helix	trans	-80.5	-32	176.9	-70.1	-179.6	-179.6	-178.1	0	114	N175 L176 K177	N175-K179 WeakPolarHBondContact O-CB 3.31Å; N175-K179 WeakPolarHBondContact O-CG 3.23Å; N175-K179 PolarHBondContact O-N 2.82Å; L176-K179 PolarHBondContact O-N 3.25Å; K177-K179 VanDerWaalsContact C-N 3.29Å; K177-K179 PolarHBondContact O-N 3.46Å
180	C	27.4	Very low	32.8	Very low	71 Å²	71	112.8 Å²	112.8	48%	0.48	57%	0.57	S	S	.	*	H	α-helix	trans	-80.4	-28.4	177.3	-72.4	0	0	0	0	113.2	L176 K177	L176-C180 WeakPolarHBondContact O-CB 3.41Å; L176-C180 PolarHBondContact O-N 2.97Å; L176-C180 PolarHBondContact O-SG 3.46Å; K177-C180 PolarHBondContact O-N 3.23Å
181	Y	28	Very low	32.1	Very low	171 Å²	171	113.5 Å²	113.5	67%	0.671	58%	0.576	S	S	*	*	H	α-helix	trans	-107.7	-2.2	-176.7	-68.2	-78.1	0	0	0	114.5	K177 L183	K177-Y181 HydrophobicContact CB-CD2 4.31Å; K177-Y181 WeakPolarHBondContact O-CB 3.37Å; K177-Y181 VanDerWaalsContact O-CD2 3.28Å; K177-Y181 WeakPolarHBondContact O-CD2 3.21Å; K177-Y181 PolarHBondContact O-N 3.1Å; Y181-L183 PolarHBondContact O-N 3.45Å
182	G	25.4	Very low	31.4	Very low	68 Å²	68	115.3 Å²	115.3	70%	0.701	59%	0.591	S	S	*	*			trans	59.3	12.6	179.9	0	0	0	0	0	114.2	N178 S184	N178-G182 PolarHBondContact O-N 3.47Å; N178-G182 VanDerWaalsContact O-N 3.17Å; G182-S184 PolarHBondContact O-N 2.89Å
183	L	23.7	Very low	31	Very low	108 Å²	108	116.4 Å²	116.4	57%	0.565	60%	0.602	S	S	*	*			trans	-90	95.2	-176.5	-93.1	153.4	0	0	0	107.9	N178 Y181 T185	N178-L183 PolarHBondContact OD1-O 3.3Å; Y181-L183 PolarHBondContact O-N 3.45Å; L183-T185 PolarHBondContact O-N 3.19Å; L183-T185 VanDerWaalsContact O-N 3.15Å
184	S	26	Very low	30.5	Very low	64 Å²	64	120.4 Å²	120.4	45%	0.448	62%	0.618	S	S	.	*			trans	-62.9	108.4	159.7	50.4	0	0	0	0	107.8	G182 H186 Q187	G182-S184 PolarHBondContact O-N 2.89Å; S184-H186 PolarHBondContact O-N 3.05Å; S184-Q187 PolarHBondContact O-N 2.97Å
185	T	29.5	Very low	29.9	Very low	88 Å²	88	123.1 Å²	123.1	54%	0.54	64%	0.636	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.3	11.5	167.6	42.7	0	0	0	0	113.1	L183	L183-T185 PolarHBondContact O-N 3.19Å; L183-T185 VanDerWaalsContact O-N 3.15Å
186	H	30.9	Very low	29.4	Very low	180 Å²	180	127.4 Å²	127.4	83%	0.833	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.8	16.6	175.2	-102.1	-55.9	0	0	0	114.6	S184	S184-H186 PolarHBondContact O-N 3.05Å
187	Q	28.3	Very low	29	Very low	157 Å²	157	132.9 Å²	132.9	73%	0.734	67%	0.674	S	S	*	*			trans	-124.6	15.3	169.2	-73.3	-158.6	-23	0	0	115.4	S184 D189	S184-Q187 PolarHBondContact O-N 2.97Å; Q187-D189 PolarHBondContact O-N 3.44Å
188	L	27.6	Very low	28.9	Very low	154 Å²	154	133.7 Å²	133.7	81%	0.806	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	15	171.7	-99.4	154.8	0	0	0	114.4
189	D	28.3	Very low	28.8	Very low	156 Å²	156	137.9 Å²	137.9	83%	0.834	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-143.4	38.5	-171.4	-134.3	5.2	0	0	0	114.1	Q187	Q187-D189 PolarHBondContact O-N 3.44Å
190	K	26.8	Very low	28.8	Very low	190 Å²	190	136.4 Å²	136.4	83%	0.826	71%	0.705	S	S	*	*			trans	-150.2	93.8	156.6	-70.5	-164.4	-179.2	-179.1	0	109.4	P192	K190-P192 WeakPolarHBondContact O-CD 3.26Å
191	H	24.5	Very low	29.3	Very low	166 Å²	166	140.3 Å²	140.3	77%	0.769	72%	0.721	S	S	*	*			trans	-78	108.5	153.6	-124.3	-93.5	0	0	0	106.1	D193	H191-D193 IonicContact CE1-OD1 3.82Å; H191-D193 IonicContact CG-OD1 3.98Å; H191-D193 IonicContact ND1-OD1 2.84Å; H191-D193 PolarHBondContact ND1-OD1 3.07Å; H191-D193 PolarHBondContact O-N 2.7Å; H191-D193 VanDerWaalsContact O-N 3.15Å
192	P	27.5	Very low	29.8	Very low	110 Å²	110	137.7 Å²	137.7	71%	0.714	72%	0.719	S	S	*	*			trans	-80.9	81.3	155.4	33.1	-26.4	0	0	0	106.2	K190 Q194	K190-P192 WeakPolarHBondContact O-CD 3.26Å; P192-Q194 PolarHBondContact O-N 3.48Å
193	D	30.6	Very low	30.4	Very low	119 Å²	119	144.3 Å²	144.3	64%	0.636	72%	0.723	S	S	*	*			trans	-63.7	86.9	146.8	-75.3	-9.9	0	0	0	105.7	H191	H191-D193 IonicContact CE1-OD1 3.82Å; H191-D193 IonicContact CG-OD1 3.98Å; H191-D193 IonicContact ND1-OD1 2.84Å; H191-D193 PolarHBondContact ND1-OD1 3.07Å; H191-D193 PolarHBondContact O-N 2.7Å; H191-D193 VanDerWaalsContact O-N 3.15Å
194	Q	29.6	Very low	31.1	Very low	164 Å²	164	148.5 Å²	148.5	77%	0.766	74%	0.739	S	S	*	*			trans	-173.9	95.5	163.9	-102.4	146.5	61.5	0	0	110.2	P192	P192-Q194 PolarHBondContact O-N 3.48Å
195	N	31.1	Very low	31.6	Very low	143 Å²	143	154.4 Å²	154.4	77%	0.765	76%	0.757	S	S	*	*				49.5	93.8	126.7	-56.1	-12.7	0	0	0	117
196	E	32.3	Very low	32	Very low	174 Å²	174	158.3 Å²	158.3	81%	0.813	77%	0.769	S	S	*	*				-154.3	88.2	123.8	-119	170.9	-168.5	0	0	108.3	I198	E196-I198 VanDerWaalsContact C-N 3.35Å; E196-I198 HydrophobicContact CB-CG1 4.45Å; E196-I198 HydrophobicContact CG-CG1 4.38Å; E196-I198 PolarHBondContact O-N 3.08Å; E196-I198 VanDerWaalsContact O-N 3.13Å
197	F	28.8	Very low	32.1	Very low	179 Å²	179	155.1 Å²	155.1	79%	0.785	77%	0.765	S	S	*	*			trans	-60.1	103.9	152.1	-82.7	-102	0	0	0	106.3	N199	F197-N199 VanDerWaalsContact C-N 3.3Å
198	I	33.3	Very low	32.3	Very low	139 Å²	139	151.2 Å²	151.2	71%	0.713	77%	0.767	S	S	*	*			trans	-102.5	71.6	156.5	-53.4	178.7	0	0	0	105.6	E196	E196-I198 VanDerWaalsContact C-N 3.35Å; E196-I198 HydrophobicContact CB-CG1 4.45Å; E196-I198 HydrophobicContact CG-CG1 4.38Å; E196-I198 PolarHBondContact O-N 3.08Å; E196-I198 VanDerWaalsContact O-N 3.13Å
199	N	30	Very low	32.9	Very low	136 Å²	136	155.4 Å²	155.4	73%	0.727	79%	0.79	S	S	*	*			trans	-134.3	65.7	162.9	-86.1	-21.1	0	0	0	105.4	F197	F197-N199 VanDerWaalsContact C-N 3.3Å
200	D	35	Very low	33.2	Very low	127 Å²	127	155.4 Å²	155.4	68%	0.679	79%	0.788	S	S	*	*			trans	-104.2	105.9	154.7	-74.4	-32.5	0	0	0	103	D202	D200-D202 HydrophobicContact CB-CB 4.24Å
201	D	38.1	Very low	33.5	Very low	154 Å²	154	153.5 Å²	153.5	82%	0.824	79%	0.786	S	S	*	*			cis	39.4	21.9	42.2	-109.8	0.4	0	0	0	114.7	R203	D201-R203 VanDerWaalsContact C-N 3.28Å; D201-R203 PolarHBondContact O-N 2.73Å; D201-R203 VanDerWaalsContact O-N 3.16Å
202	D	38.9	Very low	34	Very low	115 Å²	115	152.8 Å²	152.8	62%	0.615	79%	0.787	S	S	*	*			trans	-80.2	85.1	153.1	-94.5	-18.1	0	0	0	108.4	D200 Q204	D200-D202 HydrophobicContact CB-CB 4.24Å; D202-Q204 PolarHBondContact O-N 3.07Å
203	R	36.9	Very low	34.4	Very low	207 Å²	207	155.4 Å²	155.4	78%	0.781	79%	0.791	S	S	*	*				10.2	84.1	129.2	-70.1	174	-84.2	-175.3	-5.7	114.2	D201	D201-R203 VanDerWaalsContact C-N 3.28Å; D201-R203 PolarHBondContact O-N 2.73Å; D201-R203 VanDerWaalsContact O-N 3.16Å
204	Q	39.4	Very low	34.6	Very low	197 Å²	197	157.6 Å²	157.6	92%	0.921	80%	0.801	S	S	*	*			trans	-117.8	72.5	145	-73.4	-166.4	8.2	0	0	108.5	D202	D202-Q204 PolarHBondContact O-N 3.07Å
205	F	36.6	Very low	35	Very low	187 Å²	187	157.2 Å²	157.2	82%	0.82	80%	0.803	S	S	*	*			trans	-76.7	120	154.9	-92.8	-95.1	0	0	0	108.5
206	E	38.5	Very low	35.2	Very low	170 Å²	170	158.2 Å²	158.2	79%	0.794	81%	0.806	S	S	*	*			trans	81.5	150.2	150.2	-63.6	-167.9	178	0	0	122.1
207	P	31	Very low	35.5	Very low	113 Å²	113	157 Å²	157	73%	0.734	81%	0.805	S	S	*	*			cis	-126.6	160	-23.1	32.2	-14.3	0	0	0	113.2	N209	P207-N209 PolarHBondContact O-N 3.32Å
208	G	33.6	Very low	36	Very low	76 Å²	76	155.2 Å²	155.2	78%	0.784	81%	0.807	S	S	*	*			trans	-56.6	133.2	163.5	0	0	0	0	0	111.6
209	N	40.8	Very low	36.3	Very low	241 Å²	241	156.6 Å²	156.6	100%	1.289	82%	0.815	S	S	*	*			trans	-146.7	0	148.6	-111.5	-5	0	0	0	107.5	P207	P207-N209 PolarHBondContact O-N 3.32Å

Retrieved 209 of 209 residues in 188.7 ms (Link to these results)

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