A0A077Z4Q5_TRITR Loading...

Protein C10

AlphaFold DB , UniProt , Accession A0A077Z4Q5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 114 aa.

						>A0A077Z4Q5_TRITR|A0A077Z4Q5
MLTKAEAKACYLHILNKIEAVEQTAEYEAAVKQCGSSMVQWLVHVYPLIMRAKLEAIKDYGVRASPEDIRKFEEEMTALSENDDELKELDEKQRSKLMPAMNTSPSANDHTPSQ
					

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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	75.6	Confident	93.1	Very high	215 Å²	215	63 Å²	63	100%	1.059	34%	0.344	S	S	*	.				0	137.7	0	-76.6	-173.7	-78.3	0	0	107.3	E75	M1-E75 WeakPolarHBondContact CA-OE1 3.47Å; M1-E75 VanDerWaalsContact CB-OE1 3.22Å; M1-E75 WeakPolarHBondContact CB-OE1 3.33Å; M1-E75 WeakPolarHBondContact CG-OE1 3.22Å
2	L	87	Confident	93.6	Very high	27 Å²	27	63.8 Å²	63.8	14%	0.141	35%	0.346	C	S	.	.			trans	-68.9	136.9	173.7	-67.3	166.4	0	0	0	109.3	E6 F72 E75 M76 L79	L2-E6 HydrophobicContact CB-CB 4.34Å; L2-E6 HydrophobicContact CD2-CB 3.78Å; L2-F72 HydrophobicContact CD1-CD2 4.04Å; L2-F72 HydrophobicContact CD1-CE2 3.7Å; L2-E75 PolarHBondContact N-OE1 3.31Å; L2-M76 HydrophobicContact CD1-SD 3.81Å; L2-L79 HydrophobicContact CB-CD1 3.89Å; L2-L79 WeakPolarHBondContact O-CD1 3.38Å
3	T	93.4	Very high	93.9	Very high	74 Å²	74	62.4 Å²	62.4	45%	0.454	34%	0.336	S	S	.	.			trans	-75.2	162.1	166.2	61.7	0	0	0	0	110	A5 E6 A7	T3-A5 PolarHBondContact O-N 2.65Å; T3-E6 WeakPolarHBondContact CB-OE2 3.47Å; T3-E6 WeakPolarHBondContact CG2-OE2 3.41Å; T3-E6 PolarHBondContact N-OE2 3.43Å; T3-E6 PolarHBondContact O-N 3.37Å; T3-E6 VanDerWaalsContact O-N 3.09Å; T3-E6 VanDerWaalsContact OG1-CG 3.27Å; T3-E6 WeakPolarHBondContact OG1-CG 3.39Å; T3-E6 PolarHBondContact OG1-N 3.36Å; T3-E6 PolarHBondContact OG1-OE2 3.34Å; T3-A7 PolarHBondContact O-N 3.08Å
4	K	92.6	Very high	94.2	Very high	97 Å²	97	58 Å²	58	42%	0.422	31%	0.312	S	S	.	.	H	α-helix	trans	-54.3	-38.4	172.2	-72.2	-176	162.2	-150.8	0	112.5	A7 K8 L79 N82 D83 L86	K4-A7 PolarHBondContact O-N 3.27Å; K4-K8 WeakPolarHBondContact O-CB 3.47Å; K4-K8 PolarHBondContact O-N 2.98Å; K4-L79 HydrophobicContact CG-CD2 4.26Å; K4-N82 PolarHBondContact NZ-O 3Å; K4-D83 WeakPolarHBondContact CD-OD2 3.34Å; K4-D83 IonicContact NZ-OD2 3.64Å; K4-D83 PolarHBondContact NZ-OD2 3.09Å; K4-L86 HydrophobicContact CG-CD1 4.47Å
5	A	94.3	Very high	94.5	Very high	74 Å²	74	54.3 Å²	54.3	61%	0.612	29%	0.292	S	S	*	.	H	α-helix	trans	-65.7	-42	177.4	0	0	0	0	0	112.1	T3 K8 A9	T3-A5 PolarHBondContact O-N 2.65Å; A5-K8 PolarHBondContact O-N 2.68Å; A5-A9 WeakPolarHBondContact O-CB 3.24Å; A5-A9 PolarHBondContact O-N 2.97Å
6	E	95	Very high	94.8	Very high	88 Å²	88	56.8 Å²	56.8	41%	0.411	31%	0.305	S	S	.	.	H	α-helix	trans	-68.7	-38.6	176.1	-70	163.3	139.4	0	0	111.9	L2 T3 A9 C10	L2-E6 HydrophobicContact CB-CB 4.34Å; L2-E6 HydrophobicContact CD2-CB 3.78Å; T3-E6 WeakPolarHBondContact CB-OE2 3.47Å; T3-E6 WeakPolarHBondContact CG2-OE2 3.41Å; T3-E6 PolarHBondContact N-OE2 3.43Å; T3-E6 PolarHBondContact O-N 3.37Å; T3-E6 VanDerWaalsContact O-N 3.09Å; T3-E6 VanDerWaalsContact OG1-CG 3.27Å; T3-E6 WeakPolarHBondContact OG1-CG 3.39Å; T3-E6 PolarHBondContact OG1-N 3.36Å; T3-E6 PolarHBondContact OG1-OE2 3.34Å; E6-A9 PolarHBondContact O-N 3.01Å; E6-C10 VanDerWaalsContact O-CB 3.29Å; E6-C10 WeakPolarHBondContact O-CB 3.31Å; E6-C10 PolarHBondContact O-N 3.14Å
7	A	96.1	Very high	95	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-62.1	-45.4	174	0	0	0	0	0	111.8	T3 K4 A9 C10 Y11 M76 L79 L86	T3-A7 PolarHBondContact O-N 3.08Å; K4-A7 PolarHBondContact O-N 3.27Å; A7-A9 PolarHBondContact O-N 3.26Å; A7-C10 WeakPolarHBondContact O-CB 3.4Å; A7-C10 PolarHBondContact O-N 3.1Å; A7-C10 VanDerWaalsContact O-N 3.14Å; A7-Y11 WeakPolarHBondContact O-CD2 3.43Å; A7-Y11 PolarHBondContact O-N 3.36Å; A7-M76 HydrophobicContact CB-CE 4.15Å; A7-M76 HydrophobicContact CB-SD 3.75Å; A7-L79 HydrophobicContact CB-CB 4.39Å; A7-L79 HydrophobicContact CB-CD1 3.77Å; A7-L86 HydrophobicContact CB-CD1 4.14Å; A7-L86 HydrophobicContact CB-CD2 4.29Å
8	K	97.3	Very high	95.2	Very high	71 Å²	71	54.5 Å²	54.5	31%	0.309	29%	0.289	S	S	.	.	H	α-helix	trans	-57.5	-49.6	173.9	-178.5	177	-179.9	169	0	111.3	K4 A5 C10 Y11 L12 E85 L86 L89	K4-K8 WeakPolarHBondContact O-CB 3.47Å; K4-K8 PolarHBondContact O-N 2.98Å; A5-K8 PolarHBondContact O-N 2.68Å; K8-C10 PolarHBondContact O-N 3.31Å; K8-Y11 PolarHBondContact O-N 3.01Å; K8-L12 HydrophobicContact CG-CD1 4.12Å; K8-L12 WeakPolarHBondContact O-CG 3.36Å; K8-L12 PolarHBondContact O-N 2.69Å; K8-E85 VanDerWaalsContact CE-CD 3.44Å; K8-E85 WeakPolarHBondContact CE-OE1 3.46Å; K8-E85 WeakPolarHBondContact CE-OE2 3.15Å; K8-E85 IonicContact NZ-OE1 2.72Å; K8-E85 PolarHBondContact NZ-OE1 3.38Å; K8-E85 IonicContact NZ-OE2 3.11Å; K8-E85 PolarHBondContact NZ-OE2 3.42Å; K8-L86 HydrophobicContact CB-CD2 3.72Å; K8-L89 HydrophobicContact CG-CD1 3.95Å
9	A	97.5	Very high	95.3	Very high	43 Å²	43	55 Å²	55	36%	0.355	29%	0.29	S	S	.	.	H	α-helix	trans	-58.4	-40	177.2	0	0	0	0	0	111.3	A5 E6 A7 L12 H13 Y60	A5-A9 WeakPolarHBondContact O-CB 3.24Å; A5-A9 PolarHBondContact O-N 2.97Å; E6-A9 PolarHBondContact O-N 3.01Å; A7-A9 PolarHBondContact O-N 3.26Å; A9-L12 PolarHBondContact O-N 3.39Å; A9-H13 VanDerWaalsContact O-CB 3.31Å; A9-H13 WeakPolarHBondContact O-CB 3.47Å; A9-H13 PolarHBondContact O-N 3.16Å; A9-Y60 VanDerWaalsContact C-OH 3.28Å; A9-Y60 PolarHBondContact O-OH 2.72Å
10	C	97.6	Very high	95.4	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-65.4	-49.4	178.6	-166.9	0	0	0	0	112.7	E6 A7 K8 L12 H13 I14 Y60 F72 M76	E6-C10 VanDerWaalsContact O-CB 3.29Å; E6-C10 WeakPolarHBondContact O-CB 3.31Å; E6-C10 PolarHBondContact O-N 3.14Å; A7-C10 WeakPolarHBondContact O-CB 3.4Å; A7-C10 PolarHBondContact O-N 3.1Å; A7-C10 VanDerWaalsContact O-N 3.14Å; K8-C10 PolarHBondContact O-N 3.31Å; C10-L12 VanDerWaalsContact C-N 3.31Å; C10-L12 PolarHBondContact O-N 3.1Å; C10-H13 WeakPolarHBondContact O-CB 3.12Å; C10-H13 PolarHBondContact O-N 3.1Å; C10-H13 VanDerWaalsContact O-N 3.11Å; C10-I14 WeakPolarHBondContact O-CG1 3.42Å; C10-I14 PolarHBondContact O-N 2.96Å; C10-Y60 VanDerWaalsContact CA-CZ 3.46Å; C10-Y60 WeakPolarHBondContact CA-OH 3.39Å; C10-Y60 HydrophobicContact CB-CD1 4.16Å; C10-Y60 HydrophobicContact CB-CD2 4.27Å; C10-Y60 HydrophobicContact CB-CE1 3.85Å; C10-Y60 HydrophobicContact CB-CE2 3.96Å; C10-Y60 HydrophobicContact CB-CG 4.38Å; C10-Y60 PolarHBondContact N-OH 2.78Å; C10-Y60 VanDerWaalsContact SG-CD2 3.52Å; C10-F72 VanDerWaalsContact SG-CZ 3.53Å; C10-M76 HydrophobicContact CB-CE 3.97Å
11	Y	97.9	Very high	95.6	Very high	4 Å²	4	54 Å²	54	2%	0.016	29%	0.293	C	S	.	.	H	α-helix	trans	-57	-46	175.4	-80	-61.4	0	0	0	111.8	A7 K8 H13 I14 L15 M76 L86 L89 D90	A7-Y11 WeakPolarHBondContact O-CD2 3.43Å; A7-Y11 PolarHBondContact O-N 3.36Å; K8-Y11 PolarHBondContact O-N 3.01Å; Y11-H13 VanDerWaalsContact C-N 3.31Å; Y11-H13 PolarHBondContact O-N 3.24Å; Y11-I14 PolarHBondContact O-N 3.13Å; Y11-L15 WeakPolarHBondContact O-CB 3.5Å; Y11-L15 VanDerWaalsContact O-CG 3.31Å; Y11-L15 WeakPolarHBondContact O-CG 3.41Å; Y11-L15 PolarHBondContact O-N 3.42Å; Y11-M76 HydrophobicContact CD1-CE 3.97Å; Y11-M76 HydrophobicContact CD2-CE 3.54Å; Y11-M76 HydrophobicContact CE1-CE 3.84Å; Y11-M76 HydrophobicContact CE2-CE 3.39Å; Y11-M76 HydrophobicContact CG-CE 3.82Å; Y11-M76 PolarHBondContact OH-O 2.83Å; Y11-L86 HydrophobicContact CD2-CD2 3.98Å; Y11-L86 HydrophobicContact CE2-CB 4.29Å; Y11-L86 HydrophobicContact CE2-CD2 4.22Å; Y11-L89 HydrophobicContact CD2-CB 4.12Å; Y11-L89 HydrophobicContact CG-CB 3.93Å; Y11-D90 HydrophobicContact CE1-CB 3.87Å
12	L	98.4	Very high	96.6	Very high	72 Å²	72	46.1 Å²	46.1	38%	0.377	25%	0.254	S	S	.	.	H	α-helix	trans	-62.3	-39.8	177.1	-69.4	173.2	0	0	0	111.6	K8 A9 C10 L15 N16 L89	K8-L12 HydrophobicContact CG-CD1 4.12Å; K8-L12 WeakPolarHBondContact O-CG 3.36Å; K8-L12 PolarHBondContact O-N 2.69Å; A9-L12 PolarHBondContact O-N 3.39Å; C10-L12 VanDerWaalsContact C-N 3.31Å; C10-L12 PolarHBondContact O-N 3.1Å; L12-L15 PolarHBondContact O-N 3.16Å; L12-N16 WeakPolarHBondContact O-CB 3.48Å; L12-N16 PolarHBondContact O-N 2.89Å; L12-N16 PolarHBondContact O-ND2 3.13Å; L12-L89 HydrophobicContact CD2-CD2 3.71Å; L12-L89 HydrophobicContact CG-CD1 4.42Å; L12-L89 HydrophobicContact CG-CD2 4.36Å
13	H	98.4	Very high	97.1	Very high	46 Å²	46	52.7 Å²	52.7	21%	0.213	28%	0.284	C	S	.	.	H	α-helix	trans	-64.5	-44.6	176.1	-169.3	179.1	0	0	0	111.8	A9 C10 Y11 L15 N16 K17 D59 Y60	A9-H13 VanDerWaalsContact O-CB 3.31Å; A9-H13 WeakPolarHBondContact O-CB 3.47Å; A9-H13 PolarHBondContact O-N 3.16Å; C10-H13 WeakPolarHBondContact O-CB 3.12Å; C10-H13 PolarHBondContact O-N 3.1Å; C10-H13 VanDerWaalsContact O-N 3.11Å; Y11-H13 VanDerWaalsContact C-N 3.31Å; Y11-H13 PolarHBondContact O-N 3.24Å; H13-L15 PolarHBondContact O-N 2.94Å; H13-N16 PolarHBondContact O-N 3.29Å; H13-K17 WeakPolarHBondContact NE2-CE 3.24Å; H13-K17 WeakPolarHBondContact O-CG 3.42Å; H13-K17 PolarHBondContact O-N 3.5Å; H13-D59 IonicContact CE1-OD2 2.75Å; H13-D59 PolarHBondContact CE1-OD2 3.3Å; H13-D59 IonicContact NE2-OD2 3.56Å; H13-Y60 HydrophobicContact CB-CE2 4.08Å; H13-Y60 WeakPolarHBondContact CB-OH 3.49Å; H13-Y60 AromaticContact ND1-CE2 3.42Å; H13-Y60 WeakPolarHBondContact ND1-CE2 3.43Å; H13-Y60 AromaticContact ND1-CZ 3.91Å
14	I	98.3	Very high	97.3	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-58.5	-49.1	175	-67.6	162.2	0	0	0	110.2	C10 Y11 N16 K17 I18 K53 A56 I57 Q93	C10-I14 WeakPolarHBondContact O-CG1 3.42Å; C10-I14 PolarHBondContact O-N 2.96Å; Y11-I14 PolarHBondContact O-N 3.13Å; I14-N16 VanDerWaalsContact C-N 3.35Å; I14-N16 PolarHBondContact O-N 3.29Å; I14-K17 PolarHBondContact O-N 3.14Å; I14-I18 HydrophobicContact CG2-CD1 3.77Å; I14-I18 HydrophobicContact CG2-CG1 4.41Å; I14-I18 VanDerWaalsContact O-CG1 3.31Å; I14-I18 WeakPolarHBondContact O-CG1 3.47Å; I14-I18 PolarHBondContact O-N 3.46Å; I14-K53 HydrophobicContact CD1-CG 4.38Å; I14-K53 HydrophobicContact CG1-CG 4.43Å; I14-K53 HydrophobicContact CG2-CB 4.04Å; I14-K53 HydrophobicContact CG2-CG 3.94Å; I14-A56 HydrophobicContact CB-CB 4.36Å; I14-A56 HydrophobicContact CG1-CB 3.74Å; I14-I57 HydrophobicContact CD1-CG2 3.77Å; I14-I57 HydrophobicContact CG1-CG2 4.1Å; I14-Q93 VanDerWaalsContact CD1-OE1 3.28Å; I14-Q93 HydrophobicContact CG2-CG 4.07Å
15	L	98.5	Very high	97.6	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.01	29%	0.288	C	S	.	.	H	α-helix	trans	-59.5	-43.6	178.8	-72.8	168.2	0	0	0	112.1	Y11 L12 H13 K17 I18 E19 L89 K92 Q93 K96	Y11-L15 WeakPolarHBondContact O-CB 3.5Å; Y11-L15 VanDerWaalsContact O-CG 3.31Å; Y11-L15 WeakPolarHBondContact O-CG 3.41Å; Y11-L15 PolarHBondContact O-N 3.42Å; L12-L15 PolarHBondContact O-N 3.16Å; H13-L15 PolarHBondContact O-N 2.94Å; L15-K17 VanDerWaalsContact C-N 3.33Å; L15-K17 PolarHBondContact O-N 2.91Å; L15-I18 PolarHBondContact O-N 3.32Å; L15-E19 WeakPolarHBondContact O-CG 3.39Å; L15-E19 PolarHBondContact O-N 3.21Å; L15-L89 HydrophobicContact CD1-CD2 3.88Å; L15-K92 HydrophobicContact CD1-CB 4.47Å; L15-K92 HydrophobicContact CD1-CD 3.89Å; L15-K92 HydrophobicContact CD1-CG 4.28Å; L15-K92 HydrophobicContact CD2-CB 4.43Å; L15-K92 HydrophobicContact CD2-CD 4.19Å; L15-K92 HydrophobicContact CD2-CG 3.9Å; L15-Q93 HydrophobicContact CD2-CB 4.28Å; L15-K96 HydrophobicContact CD2-CG 4.3Å
16	N	98.4	Very high	97.8	Very high	94 Å²	94	52.5 Å²	52.5	50%	0.503	28%	0.284	S	S	.	.	H	α-helix	trans	-62.6	-39.2	176.7	-71.4	-19.9	0	0	0	112.2	L12 H13 I14 E19 A20	L12-N16 WeakPolarHBondContact O-CB 3.48Å; L12-N16 PolarHBondContact O-N 2.89Å; L12-N16 PolarHBondContact O-ND2 3.13Å; H13-N16 PolarHBondContact O-N 3.29Å; I14-N16 VanDerWaalsContact C-N 3.35Å; I14-N16 PolarHBondContact O-N 3.29Å; N16-E19 PolarHBondContact O-N 3.16Å; N16-A20 WeakPolarHBondContact O-CB 3.37Å; N16-A20 PolarHBondContact O-N 3.35Å
17	K	98.3	Very high	97.9	Very high	73 Å²	73	49.7 Å²	49.7	32%	0.317	27%	0.27	S	S	.	.	H	α-helix	trans	-66.6	-39.3	176.1	-71.4	-79.3	-170.2	171.6	0	111.5	H13 I14 L15 A20 V21 A52 A56	H13-K17 WeakPolarHBondContact NE2-CE 3.24Å; H13-K17 WeakPolarHBondContact O-CG 3.42Å; H13-K17 PolarHBondContact O-N 3.5Å; I14-K17 PolarHBondContact O-N 3.14Å; L15-K17 VanDerWaalsContact C-N 3.33Å; L15-K17 PolarHBondContact O-N 2.91Å; K17-A20 PolarHBondContact O-N 2.97Å; K17-V21 PolarHBondContact O-N 2.88Å; K17-V21 VanDerWaalsContact O-N 3.11Å; K17-A52 HydrophobicContact CB-CB 4.21Å; K17-A56 HydrophobicContact CB-CB 4.3Å; K17-A56 HydrophobicContact CG-CB 3.86Å
18	I	98.2	Very high	98	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-63.8	-49.3	174.2	-66.1	169.5	0	0	0	110	I14 L15 A20 V21 E22 I49 A52 K96	I14-I18 HydrophobicContact CG2-CD1 3.77Å; I14-I18 HydrophobicContact CG2-CG1 4.41Å; I14-I18 VanDerWaalsContact O-CG1 3.31Å; I14-I18 WeakPolarHBondContact O-CG1 3.47Å; I14-I18 PolarHBondContact O-N 3.46Å; L15-I18 PolarHBondContact O-N 3.32Å; I18-A20 PolarHBondContact O-N 3.35Å; I18-V21 CarbonylContact O-C 3.39Å; I18-V21 WeakPolarHBondContact O-CA 3.45Å; I18-V21 WeakPolarHBondContact O-CB 3.45Å; I18-V21 PolarHBondContact O-N 3.04Å; I18-E22 HydrophobicContact CG2-CG 4.22Å; I18-E22 WeakPolarHBondContact O-CG 3.39Å; I18-E22 PolarHBondContact O-N 3.38Å; I18-I49 HydrophobicContact CD1-CG2 3.69Å; I18-I49 HydrophobicContact CG1-CG2 3.78Å; I18-I49 HydrophobicContact CG2-CG2 4.06Å; I18-A52 HydrophobicContact CG1-CB 4.25Å; I18-K96 HydrophobicContact CD1-CB 4.28Å; I18-K96 HydrophobicContact CG2-CB 4.12Å; I18-K96 HydrophobicContact CG2-CD 4.3Å; I18-K96 HydrophobicContact CG2-CG 4.2Å
19	E	97.5	Very high	98	Very high	64 Å²	64	53.6 Å²	53.6	30%	0.299	30%	0.297	S	S	.	.	H	α-helix	trans	-59.9	-33.3	178.6	-74.2	176.8	-170.9	0	0	112.4	L15 N16 E22 Q23 K92	L15-E19 WeakPolarHBondContact O-CG 3.39Å; L15-E19 PolarHBondContact O-N 3.21Å; N16-E19 PolarHBondContact O-N 3.16Å; E19-E22 PolarHBondContact O-N 3.25Å; E19-Q23 WeakPolarHBondContact O-CG 3.27Å; E19-Q23 PolarHBondContact O-N 2.98Å; E19-Q23 PolarHBondContact O-NE2 3.26Å; E19-K92 IonicContact OE1-NZ 3.72Å
20	A	98.4	Very high	97.9	Very high	56 Å²	56	51.9 Å²	51.9	46%	0.463	28%	0.283	S	S	.	.	H	α-helix	trans	-67.4	-40.2	172.2	0	0	0	0	0	112.3	N16 K17 I18 Q23	N16-A20 WeakPolarHBondContact O-CB 3.37Å; N16-A20 PolarHBondContact O-N 3.35Å; K17-A20 PolarHBondContact O-N 2.97Å; I18-A20 PolarHBondContact O-N 3.35Å; A20-Q23 PolarHBondContact O-N 3.4Å
21	V	98.1	Very high	97.8	Very high	32 Å²	32	54.6 Å²	54.6	19%	0.194	30%	0.299	C	S	.	.	H	α-helix	trans	-66	-39.5	174	168.1	0	0	0	0	111.4	K17 I18 Q23 T24 Y27 L48 A52	K17-V21 PolarHBondContact O-N 2.88Å; K17-V21 VanDerWaalsContact O-N 3.11Å; I18-V21 CarbonylContact O-C 3.39Å; I18-V21 WeakPolarHBondContact O-CA 3.45Å; I18-V21 WeakPolarHBondContact O-CB 3.45Å; I18-V21 PolarHBondContact O-N 3.04Å; V21-Q23 PolarHBondContact O-N 3.44Å; V21-Q23 VanDerWaalsContact O-N 3.13Å; V21-T24 WeakPolarHBondContact O-CB 3.03Å; V21-T24 WeakPolarHBondContact O-CG2 3.45Å; V21-T24 PolarHBondContact O-N 3.49Å; V21-T24 PolarHBondContact O-OG1 2.98Å; V21-Y27 HydrophobicContact CG1-CD2 4.1Å; V21-Y27 WeakPolarHBondContact O-CB 3.32Å; V21-L48 HydrophobicContact CG1-CB 3.98Å; V21-A52 HydrophobicContact CB-CB 4.49Å; V21-A52 HydrophobicContact CG2-CB 3.77Å
22	E	97.1	Very high	97.6	Very high	51 Å²	51	61.4 Å²	61.4	24%	0.238	33%	0.329	C	S	.	.	H	α-helix	trans	-59.8	-23.6	178	-71.5	179.8	153.5	0	0	113.2	I18 E19 T24 Y27 K96	I18-E22 HydrophobicContact CG2-CG 4.22Å; I18-E22 WeakPolarHBondContact O-CG 3.39Å; I18-E22 PolarHBondContact O-N 3.38Å; E19-E22 PolarHBondContact O-N 3.25Å; E22-T24 VanDerWaalsContact C-N 3.33Å; E22-Y27 HydrophobicContact CB-CD1 4.28Å; E22-Y27 HydrophobicContact CB-CE1 4.16Å; E22-Y27 HydrophobicContact CG-CD1 4.42Å; E22-Y27 HydrophobicContact CG-CD2 4.36Å; E22-Y27 HydrophobicContact CG-CE1 3.96Å; E22-Y27 HydrophobicContact CG-CE2 3.88Å; E22-Y27 WeakPolarHBondContact O-CD1 3.45Å; E22-K96 VanDerWaalsContact OE1-CD 3.27Å; E22-K96 WeakPolarHBondContact OE1-CD 3.22Å; E22-K96 IonicContact OE1-NZ 3.98Å; E22-K96 PolarHBondContact OE1-NZ 3.48Å; E22-K96 IonicContact OE2-NZ 2.65Å; E22-K96 PolarHBondContact OE2-NZ 2.99Å
23	Q	97.7	Very high	97.3	Very high	165 Å²	165	63.3 Å²	63.3	77%	0.771	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-1.8	176.8	-68.5	170	57.3	0	0	113.7	E19 A20 V21	E19-Q23 WeakPolarHBondContact O-CG 3.27Å; E19-Q23 PolarHBondContact O-N 2.98Å; E19-Q23 PolarHBondContact O-NE2 3.26Å; A20-Q23 PolarHBondContact O-N 3.4Å; V21-Q23 PolarHBondContact O-N 3.44Å; V21-Q23 VanDerWaalsContact O-N 3.13Å
24	T	98.4	Very high	97	Very high	53 Å²	53	61.4 Å²	61.4	33%	0.325	33%	0.328	S	S	.	.	S	Bend	trans	-85.6	149.6	-178.2	68.2	0	0	0	0	112.4	V21 E22 E26 Y27 E28	V21-T24 WeakPolarHBondContact O-CB 3.03Å; V21-T24 WeakPolarHBondContact O-CG2 3.45Å; V21-T24 PolarHBondContact O-N 3.49Å; V21-T24 PolarHBondContact O-OG1 2.98Å; E22-T24 VanDerWaalsContact C-N 3.33Å; T24-E26 PolarHBondContact O-N 3.45Å; T24-Y27 PolarHBondContact O-N 2.85Å; T24-Y27 WeakPolarHBondContact OG1-CB 3.27Å; T24-Y27 PolarHBondContact OG1-N 3.11Å; T24-Y27 VanDerWaalsContact OG1-N 3.16Å; T24-E28 PolarHBondContact O-N 2.85Å; T24-E28 VanDerWaalsContact O-N 3.1Å
25	A	98.3	Very high	96.3	Very high	77 Å²	77	64.4 Å²	64.4	64%	0.636	36%	0.359	S	S	*	.	H	α-helix	trans	-62.3	-28.9	172.3	0	0	0	0	0	112.6	A29	A25-A29 VanDerWaalsContact O-CB 3.31Å; A25-A29 WeakPolarHBondContact O-CB 3.38Å; A25-A29 PolarHBondContact O-N 2.75Å
26	E	98.1	Very high	95.8	Very high	111 Å²	111	67.9 Å²	67.9	52%	0.519	38%	0.383	S	S	.	.	H	α-helix	trans	-63.8	-47.6	175.1	-175.4	-178.5	-170.5	0	0	110.9	T24 A29 A30 L48 R51	T24-E26 PolarHBondContact O-N 3.45Å; E26-A29 PolarHBondContact O-N 2.84Å; E26-A30 WeakPolarHBondContact O-CB 3.46Å; E26-A30 PolarHBondContact O-N 3.07Å; E26-L48 HydrophobicContact CG-CD1 4.06Å; E26-L48 HydrophobicContact CG-CD2 4.12Å; E26-L48 VanDerWaalsContact OE1-CD2 3.24Å; E26-L48 WeakPolarHBondContact OE1-CD2 3.31Å; E26-R51 IonicContact OE1-NH1 3.31Å
27	Y	97.9	Very high	95.4	Very high	29 Å²	29	65.4 Å²	65.4	11%	0.114	37%	0.374	C	S	.	.	H	α-helix	trans	-62.6	-45.6	176.2	-178.2	-88.8	0	0	0	111.8	V21 E22 T24 A29 A30 V31 W41 V45 L48 I49	V21-Y27 HydrophobicContact CG1-CD2 4.1Å; V21-Y27 WeakPolarHBondContact O-CB 3.32Å; E22-Y27 HydrophobicContact CB-CD1 4.28Å; E22-Y27 HydrophobicContact CB-CE1 4.16Å; E22-Y27 HydrophobicContact CG-CD1 4.42Å; E22-Y27 HydrophobicContact CG-CD2 4.36Å; E22-Y27 HydrophobicContact CG-CE1 3.96Å; E22-Y27 HydrophobicContact CG-CE2 3.88Å; E22-Y27 WeakPolarHBondContact O-CD1 3.45Å; T24-Y27 PolarHBondContact O-N 2.85Å; T24-Y27 WeakPolarHBondContact OG1-CB 3.27Å; T24-Y27 PolarHBondContact OG1-N 3.11Å; T24-Y27 VanDerWaalsContact OG1-N 3.16Å; Y27-A29 VanDerWaalsContact C-N 3.31Å; Y27-A29 PolarHBondContact O-N 2.94Å; Y27-A30 WeakPolarHBondContact O-CB 3.31Å; Y27-A30 PolarHBondContact O-N 3.26Å; Y27-A30 VanDerWaalsContact O-N 3.16Å; Y27-V31 HydrophobicContact CD1-CG2 3.88Å; Y27-V31 HydrophobicContact CE1-CG2 3.42Å; Y27-V31 VanDerWaalsContact CE1-CG2 3.42Å; Y27-V31 HydrophobicContact CE2-CG2 4.41Å; Y27-V31 WeakPolarHBondContact O-CG2 3.2Å; Y27-V31 PolarHBondContact O-N 2.78Å; Y27-W41 WeakPolarHBondContact OH-CH2 3.41Å; Y27-V45 HydrophobicContact CD2-CG1 4.05Å; Y27-V45 HydrophobicContact CE2-CG1 3.39Å; Y27-L48 HydrophobicContact CD2-CD1 4.48Å; Y27-I49 HydrophobicContact CE2-CD1 4.13Å; Y27-I49 HydrophobicContact CE2-CG1 4.15Å
28	E	97	Very high	95.1	Very high	106 Å²	106	65 Å²	65	50%	0.495	37%	0.374	S	S	.	.	H	α-helix	trans	-58.3	-44	177.1	-168.3	-167.4	161.3	0	0	111.7	T24 V31 K32	T24-E28 PolarHBondContact O-N 2.85Å; T24-E28 VanDerWaalsContact O-N 3.1Å; E28-V31 PolarHBondContact O-N 2.91Å; E28-K32 WeakPolarHBondContact O-CG 3.31Å; E28-K32 PolarHBondContact O-N 2.89Å; E28-K32 VanDerWaalsContact O-N 3.08Å; E28-K32 VanDerWaalsContact OE1-CE 3.24Å; E28-K32 WeakPolarHBondContact OE1-CE 3.41Å; E28-K32 IonicContact OE1-NZ 2.81Å; E28-K32 PolarHBondContact OE1-NZ 3.4Å
29	A	97.2	Very high	94.9	Very high	46 Å²	46	69.7 Å²	69.7	38%	0.38	40%	0.402	S	S	.	.	H	α-helix	trans	-65.6	-37.2	177	0	0	0	0	0	112.5	A25 E26 Y27 Q33	A25-A29 VanDerWaalsContact O-CB 3.31Å; A25-A29 WeakPolarHBondContact O-CB 3.38Å; A25-A29 PolarHBondContact O-N 2.75Å; E26-A29 PolarHBondContact O-N 2.84Å; Y27-A29 VanDerWaalsContact C-N 3.31Å; Y27-A29 PolarHBondContact O-N 2.94Å; A29-Q33 WeakPolarHBondContact O-CG 3.37Å; A29-Q33 PolarHBondContact O-N 3.32Å; A29-Q33 PolarHBondContact O-NE2 3.43Å
30	A	96.6	Very high	94.8	Very high	8 Å²	8	70.1 Å²	70.1	7%	0.066	40%	0.404	C	S	.	.	H	α-helix	trans	-66.2	-44.9	175.3	0	0	0	0	0	111.7	E26 Y27 K32 Q33 C34 H44 V45 L48	E26-A30 WeakPolarHBondContact O-CB 3.46Å; E26-A30 PolarHBondContact O-N 3.07Å; Y27-A30 WeakPolarHBondContact O-CB 3.31Å; Y27-A30 PolarHBondContact O-N 3.26Å; Y27-A30 VanDerWaalsContact O-N 3.16Å; A30-K32 VanDerWaalsContact C-N 3.33Å; A30-K32 PolarHBondContact O-N 3.23Å; A30-Q33 WeakPolarHBondContact O-CB 3.31Å; A30-Q33 PolarHBondContact O-N 2.95Å; A30-Q33 VanDerWaalsContact O-N 3.14Å; A30-C34 PolarHBondContact O-N 3.42Å; A30-C34 PolarHBondContact O-SG 3.47Å; A30-H44 HydrophobicContact CB-CB 4.09Å; A30-H44 WeakPolarHBondContact CB-O 3.47Å; A30-V45 HydrophobicContact CB-CG2 3.78Å; A30-L48 HydrophobicContact CB-CD1 3.87Å
31	V	94.6	Very high	94.7	Very high	56 Å²	56	68.3 Å²	68.3	34%	0.339	39%	0.385	S	S	.	.	H	α-helix	trans	-60.9	-41.8	177.2	170.5	0	0	0	0	111.3	Y27 E28 Q33 C34 W41 V45	Y27-V31 HydrophobicContact CD1-CG2 3.88Å; Y27-V31 HydrophobicContact CE1-CG2 3.42Å; Y27-V31 VanDerWaalsContact CE1-CG2 3.42Å; Y27-V31 HydrophobicContact CE2-CG2 4.41Å; Y27-V31 WeakPolarHBondContact O-CG2 3.2Å; Y27-V31 PolarHBondContact O-N 2.78Å; E28-V31 PolarHBondContact O-N 2.91Å; V31-Q33 PolarHBondContact O-N 2.94Å; V31-C34 WeakPolarHBondContact O-CB 3.38Å; V31-C34 PolarHBondContact O-N 3.26Å; V31-W41 HydrophobicContact CG2-CZ3 4.31Å; V31-V45 HydrophobicContact CG2-CG2 3.83Å
32	K	94	Very high	94.5	Very high	148 Å²	148	70.7 Å²	70.7	64%	0.643	40%	0.396	S	S	*	.	H	α-helix	trans	-59.8	-32.1	176.5	-75.2	174.2	-175.4	167.6	0	113.2	E28 A30 C34	E28-K32 WeakPolarHBondContact O-CG 3.31Å; E28-K32 PolarHBondContact O-N 2.89Å; E28-K32 VanDerWaalsContact O-N 3.08Å; E28-K32 VanDerWaalsContact OE1-CE 3.24Å; E28-K32 WeakPolarHBondContact OE1-CE 3.41Å; E28-K32 IonicContact OE1-NZ 2.81Å; E28-K32 PolarHBondContact OE1-NZ 3.4Å; A30-K32 VanDerWaalsContact C-N 3.33Å; A30-K32 PolarHBondContact O-N 3.23Å; K32-C34 VanDerWaalsContact C-N 3.3Å
33	Q	92.7	Very high	94.5	Very high	111 Å²	111	72.2 Å²	72.2	52%	0.519	41%	0.409	S	S	.	.	H	α-helix	trans	-74.3	-21	176.6	-71.5	167.8	73	0	0	112.9	A29 A30 V31 H44	A29-Q33 WeakPolarHBondContact O-CG 3.37Å; A29-Q33 PolarHBondContact O-N 3.32Å; A29-Q33 PolarHBondContact O-NE2 3.43Å; A30-Q33 WeakPolarHBondContact O-CB 3.31Å; A30-Q33 PolarHBondContact O-N 2.95Å; A30-Q33 VanDerWaalsContact O-N 3.14Å; V31-Q33 PolarHBondContact O-N 2.94Å; Q33-H44 PolarHBondContact OE1-CE1 3Å; Q33-H44 PolarHBondContact OE1-ND1 3.18Å
34	C	91.1	Very high	94.5	Very high	7 Å²	7	67 Å²	67	5%	0.047	38%	0.384	C	S	.	.	H	α-helix	trans	-78	-38.2	-173	-63.4	0	0	0	0	114	A30 V31 K32 S36 S37 Q40 W41 V45	A30-C34 PolarHBondContact O-N 3.42Å; A30-C34 PolarHBondContact O-SG 3.47Å; V31-C34 WeakPolarHBondContact O-CB 3.38Å; V31-C34 PolarHBondContact O-N 3.26Å; K32-C34 VanDerWaalsContact C-N 3.3Å; C34-S36 PolarHBondContact O-N 3.31Å; C34-S37 WeakPolarHBondContact O-CB 3.34Å; C34-S37 PolarHBondContact O-N 2.91Å; C34-S37 VanDerWaalsContact O-N 3.1Å; C34-Q40 HydrophobicContact CB-CB 4.23Å; C34-Q40 PolarHBondContact SG-O 2.92Å; C34-W41 VanDerWaalsContact SG-CA 3.57Å; C34-V45 VanDerWaalsContact SG-CG2 3.56Å
35	G	85.1	Confident	94.4	Very high	64 Å²	64	64.4 Å²	64.4	66%	0.66	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	-129.8	-163.8	0	0	0	0	0	110.7
36	S	87	Confident	94.3	Very high	74 Å²	74	64.5 Å²	64.5	52%	0.517	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	13.1	175.4	60.9	0	0	0	0	113.9	C34	C34-S36 PolarHBondContact O-N 3.31Å
37	S	91	Very high	94.3	Very high	43 Å²	43	61.9 Å²	61.9	30%	0.301	35%	0.346	S	S	.	.			trans	-91.1	116.9	-174.3	177.4	0	0	0	0	112.2	C34 V39 Q40 W41	C34-S37 WeakPolarHBondContact O-CB 3.34Å; C34-S37 PolarHBondContact O-N 2.91Å; C34-S37 VanDerWaalsContact O-N 3.1Å; S37-V39 PolarHBondContact O-N 3.42Å; S37-V39 PolarHBondContact OG-N 2.96Å; S37-Q40 PolarHBondContact O-N 3.22Å; S37-Q40 VanDerWaalsContact O-N 3.16Å; S37-Q40 PolarHBondContact OG-N 3.46Å; S37-W41 PolarHBondContact O-N 3.47Å
38	M	90.8	Very high	94.3	Very high	65 Å²	65	61.1 Å²	61.1	32%	0.32	34%	0.343	S	S	.	.	H	α-helix	trans	-62.2	-33.3	173	-177.2	57.5	70.1	0	0	111.9	W41 L42 P99 M101	M38-W41 WeakPolarHBondContact O-CB 3.22Å; M38-W41 PolarHBondContact O-N 3.34Å; M38-W41 HydrophobicContact SD-CB 4.27Å; M38-W41 HydrophobicContact SD-CG 4.34Å; M38-L42 HydrophobicContact CG-CD1 4.42Å; M38-L42 VanDerWaalsContact O-CG 3.31Å; M38-L42 WeakPolarHBondContact O-CG 3.37Å; M38-L42 PolarHBondContact O-N 3.24Å; M38-L42 HydrophobicContact SD-CG 4.46Å; M38-P99 WeakPolarHBondContact CE-O 3.47Å; M38-M101 VanDerWaalsContact CA-SD 3.52Å; M38-M101 HydrophobicContact CB-SD 4.09Å; M38-M101 HydrophobicContact CE-CB 4.36Å; M38-M101 HydrophobicContact CE-CG 3.8Å; M38-M101 HydrophobicContact CE-SD 4.05Å; M38-M101 PolarHBondContact N-SD 2.83Å; M38-M101 VanDerWaalsContact N-SD 3.35Å; M38-M101 HydrophobicContact SD-SD 4.45Å
39	V	93.9	Very high	94.3	Very high	98 Å²	98	56 Å²	56	59%	0.594	32%	0.32	S	S	*	.	H	α-helix	trans	-64.5	-44.6	175.6	177.8	0	0	0	0	110.1	S37 W41 L42 V43	S37-V39 PolarHBondContact O-N 3.42Å; S37-V39 PolarHBondContact OG-N 2.96Å; V39-W41 VanDerWaalsContact C-N 3.31Å; V39-W41 PolarHBondContact O-N 2.98Å; V39-L42 PolarHBondContact O-N 3.31Å; V39-V43 WeakPolarHBondContact O-CG2 3.43Å; V39-V43 PolarHBondContact O-N 2.97Å
40	Q	95.9	Very high	94.3	Very high	73 Å²	73	55.7 Å²	55.7	34%	0.341	31%	0.311	S	S	.	.	H	α-helix	trans	-67.5	-34.3	177.5	-63	-61.6	-25.9	0	0	111.7	C34 S37 V43 H44	C34-Q40 HydrophobicContact CB-CB 4.23Å; C34-Q40 PolarHBondContact SG-O 2.92Å; S37-Q40 PolarHBondContact O-N 3.22Å; S37-Q40 VanDerWaalsContact O-N 3.16Å; S37-Q40 PolarHBondContact OG-N 3.46Å; Q40-V43 PolarHBondContact O-N 3.1Å; Q40-H44 WeakPolarHBondContact O-CB 3.42Å; Q40-H44 PolarHBondContact O-CD2 2.85Å; Q40-H44 VanDerWaalsContact O-CD2 3.29Å; Q40-H44 PolarHBondContact O-N 2.68Å; Q40-H44 PolarHBondContact OE1-CD2 3.46Å; Q40-H44 VanDerWaalsContact OE1-CD2 3.29Å; Q40-H44 PolarHBondContact OE1-NE2 3.46Å; Q40-H44 VanDerWaalsContact OE1-NE2 3.14Å
41	W	96	Very high	94.3	Very high	18 Å²	18	61.2 Å²	61.2	7%	0.068	33%	0.33	C	S	.	.	H	α-helix	trans	-58.1	-48.1	170.5	-179.9	-90.3	0	0	0	112.8	Y27 V31 C34 S37 M38 V39 V43 H44 V45 Y46 I49 K96 L97 P99 M101	Y27-W41 WeakPolarHBondContact OH-CH2 3.41Å; V31-W41 HydrophobicContact CG2-CZ3 4.31Å; C34-W41 VanDerWaalsContact SG-CA 3.57Å; S37-W41 PolarHBondContact O-N 3.47Å; M38-W41 WeakPolarHBondContact O-CB 3.22Å; M38-W41 PolarHBondContact O-N 3.34Å; M38-W41 HydrophobicContact SD-CB 4.27Å; M38-W41 HydrophobicContact SD-CG 4.34Å; V39-W41 VanDerWaalsContact C-N 3.31Å; V39-W41 PolarHBondContact O-N 2.98Å; W41-V43 PolarHBondContact O-N 2.86Å; W41-H44 PolarHBondContact O-N 3.31Å; W41-V45 HydrophobicContact CD2-CB 3.77Å; W41-V45 HydrophobicContact CD2-CG1 3.99Å; W41-V45 HydrophobicContact CD2-CG2 4.31Å; W41-V45 HydrophobicContact CE3-CB 3.78Å; W41-V45 HydrophobicContact CE3-CG1 3.93Å; W41-V45 HydrophobicContact CE3-CG2 3.85Å; W41-V45 HydrophobicContact CG-CB 4.35Å; W41-V45 HydrophobicContact CH2-CB 4.27Å; W41-V45 HydrophobicContact CH2-CG1 3.48Å; W41-V45 VanDerWaalsContact CH2-CG1 3.48Å; W41-V45 HydrophobicContact CZ2-CB 4.21Å; W41-V45 HydrophobicContact CZ2-CG1 3.48Å; W41-V45 VanDerWaalsContact CZ2-CG1 3.48Å; W41-V45 HydrophobicContact CZ3-CB 4.06Å; W41-V45 HydrophobicContact CZ3-CG1 3.7Å; W41-V45 HydrophobicContact CZ3-CG2 4.06Å; W41-V45 PolarHBondContact O-N 3.28Å; W41-Y46 PolarHBondContact O-N 2.79Å; W41-I49 HydrophobicContact CH2-CD1 4.41Å; W41-I49 HydrophobicContact CZ2-CD1 3.76Å; W41-K96 WeakPolarHBondContact CZ2-O 2.85Å; W41-L97 PolarHBondContact NE1-O 3.36Å; W41-P99 HydrophobicContact CD2-CG 3.73Å; W41-P99 VanDerWaalsContact CE2-CG 3.49Å; W41-P99 HydrophobicContact CE3-CG 3.98Å; W41-P99 HydrophobicContact CG-CG 4.36Å; W41-P99 HydrophobicContact CH2-CB 4.47Å; W41-P99 HydrophobicContact CH2-CG 3.75Å; W41-P99 HydrophobicContact CZ2-CB 4.43Å; W41-P99 VanDerWaalsContact CZ2-CD 3.48Å; W41-P99 HydrophobicContact CZ2-CG 3.52Å; W41-P99 HydrophobicContact CZ3-CG 3.98Å; W41-P99 VanDerWaalsContact NE1-CD 3.29Å; W41-M101 HydrophobicContact CB-CE 3.44Å; W41-M101 VanDerWaalsContact CB-CE 3.44Å; W41-M101 HydrophobicContact CB-SD 4.26Å; W41-M101 HydrophobicContact CD2-CE 3.61Å; W41-M101 HydrophobicContact CE3-CE 3.35Å; W41-M101 HydrophobicContact CG-CE 3.67Å; W41-M101 HydrophobicContact CZ3-CE 4.24Å
42	L	95.2	Very high	94.5	Very high	81 Å²	81	58.6 Å²	58.6	42%	0.424	31%	0.314	S	S	.	.	H	α-helix	trans	-62.7	-30.2	177.9	-70.4	172.5	0	0	0	112.3	M38 V39 Y46	M38-L42 HydrophobicContact CG-CD1 4.42Å; M38-L42 VanDerWaalsContact O-CG 3.31Å; M38-L42 WeakPolarHBondContact O-CG 3.37Å; M38-L42 PolarHBondContact O-N 3.24Å; M38-L42 HydrophobicContact SD-CG 4.46Å; V39-L42 PolarHBondContact O-N 3.31Å; L42-Y46 HydrophobicContact CD2-CD2 4.03Å; L42-Y46 HydrophobicContact CD2-CG 4.04Å
43	V	96.2	Very high	94.6	Very high	83 Å²	83	52.1 Å²	52.1	50%	0.503	29%	0.286	S	S	.	.	H	α-helix	trans	-79	-44.4	177.5	171.8	0	0	0	0	112	V39 Q40 W41	V39-V43 WeakPolarHBondContact O-CG2 3.43Å; V39-V43 PolarHBondContact O-N 2.97Å; Q40-V43 PolarHBondContact O-N 3.1Å; W41-V43 PolarHBondContact O-N 2.86Å
44	H	96.5	Very high	94.7	Very high	55 Å²	55	49.1 Å²	49.1	26%	0.255	27%	0.274	S	S	.	.	H	α-helix	trans	-103.5	-41	-166.5	-68.1	-70.5	0	0	0	114.2	A30 Q33 Q40 W41	A30-H44 HydrophobicContact CB-CB 4.09Å; A30-H44 WeakPolarHBondContact CB-O 3.47Å; Q33-H44 PolarHBondContact OE1-CE1 3Å; Q33-H44 PolarHBondContact OE1-ND1 3.18Å; Q40-H44 WeakPolarHBondContact O-CB 3.42Å; Q40-H44 PolarHBondContact O-CD2 2.85Å; Q40-H44 VanDerWaalsContact O-CD2 3.29Å; Q40-H44 PolarHBondContact O-N 2.68Å; Q40-H44 PolarHBondContact OE1-CD2 3.46Å; Q40-H44 VanDerWaalsContact OE1-CD2 3.29Å; Q40-H44 PolarHBondContact OE1-NE2 3.46Å; Q40-H44 VanDerWaalsContact OE1-NE2 3.14Å; W41-H44 PolarHBondContact O-N 3.31Å
45	V	97	Very high	95	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-44.2	-170.2	177.8	0	0	0	0	111.9	Y27 A30 V31 C34 W41 P47 L48 I49	Y27-V45 HydrophobicContact CD2-CG1 4.05Å; Y27-V45 HydrophobicContact CE2-CG1 3.39Å; A30-V45 HydrophobicContact CB-CG2 3.78Å; V31-V45 HydrophobicContact CG2-CG2 3.83Å; C34-V45 VanDerWaalsContact SG-CG2 3.56Å; W41-V45 HydrophobicContact CD2-CB 3.77Å; W41-V45 HydrophobicContact CD2-CG1 3.99Å; W41-V45 HydrophobicContact CD2-CG2 4.31Å; W41-V45 HydrophobicContact CE3-CB 3.78Å; W41-V45 HydrophobicContact CE3-CG1 3.93Å; W41-V45 HydrophobicContact CE3-CG2 3.85Å; W41-V45 HydrophobicContact CG-CB 4.35Å; W41-V45 HydrophobicContact CH2-CB 4.27Å; W41-V45 HydrophobicContact CH2-CG1 3.48Å; W41-V45 VanDerWaalsContact CH2-CG1 3.48Å; W41-V45 HydrophobicContact CZ2-CB 4.21Å; W41-V45 HydrophobicContact CZ2-CG1 3.48Å; W41-V45 VanDerWaalsContact CZ2-CG1 3.48Å; W41-V45 HydrophobicContact CZ3-CB 4.06Å; W41-V45 HydrophobicContact CZ3-CG1 3.7Å; W41-V45 HydrophobicContact CZ3-CG2 4.06Å; W41-V45 PolarHBondContact O-N 3.28Å; V45-P47 VanDerWaalsContact C-CD 3.4Å; V45-P47 VanDerWaalsContact C-N 3.31Å; V45-L48 WeakPolarHBondContact O-CB 3.49Å; V45-L48 PolarHBondContact O-N 3.48Å; V45-I49 HydrophobicContact CG1-CD1 3.8Å; V45-I49 HydrophobicContact CG1-CG1 4.15Å; V45-I49 PolarHBondContact O-N 2.93Å
46	Y	96.6	Very high	95.6	Very high	79 Å²	79	50 Å²	50	31%	0.31	26%	0.26	S	S	.	.	H	α-helix	trans	-51.6	-41.9	-179.6	-179.4	-92	0	0	0	113.6	W41 L42 L48 I49 M50 L97	W41-Y46 PolarHBondContact O-N 2.79Å; L42-Y46 HydrophobicContact CD2-CD2 4.03Å; L42-Y46 HydrophobicContact CD2-CG 4.04Å; Y46-L48 VanDerWaalsContact C-N 3.28Å; Y46-L48 PolarHBondContact O-N 3.14Å; Y46-I49 PolarHBondContact O-N 3.23Å; Y46-M50 HydrophobicContact CE1-CB 4.32Å; Y46-M50 HydrophobicContact CE1-CE 4.15Å; Y46-M50 HydrophobicContact CE2-CE 4.1Å; Y46-M50 VanDerWaalsContact O-CB 3.31Å; Y46-M50 WeakPolarHBondContact O-CB 3.36Å; Y46-M50 PolarHBondContact O-N 2.85Å; Y46-M50 WeakPolarHBondContact OH-CE 3.39Å; Y46-L97 HydrophobicContact CD2-CD2 4.12Å; Y46-L97 HydrophobicContact CE2-CB 4.24Å; Y46-L97 HydrophobicContact CE2-CD2 3.83Å
47	P	97.6	Very high	96	Very high	56 Å²	56	46.6 Å²	46.6	36%	0.364	24%	0.235	S	C	.	.	H	α-helix	trans	-61.9	-33.2	177.7	-24.3	36.4	0	0	0	113.7	V45 R51	V45-P47 VanDerWaalsContact C-CD 3.4Å; V45-P47 VanDerWaalsContact C-N 3.31Å; P47-R51 WeakPolarHBondContact O-CB 3.48Å; P47-R51 PolarHBondContact O-N 3.12Å
48	L	98.3	Very high	96.3	Very high	12 Å²	12	49.7 Å²	49.7	6%	0.063	24%	0.244	C	C	.	.	H	α-helix	trans	-69.5	-47.4	179	-57.2	179.1	0	0	0	110.9	V21 E26 Y27 A30 V45 Y46 M50 R51 A52	V21-L48 HydrophobicContact CG1-CB 3.98Å; E26-L48 HydrophobicContact CG-CD1 4.06Å; E26-L48 HydrophobicContact CG-CD2 4.12Å; E26-L48 VanDerWaalsContact OE1-CD2 3.24Å; E26-L48 WeakPolarHBondContact OE1-CD2 3.31Å; Y27-L48 HydrophobicContact CD2-CD1 4.48Å; A30-L48 HydrophobicContact CB-CD1 3.87Å; V45-L48 WeakPolarHBondContact O-CB 3.49Å; V45-L48 PolarHBondContact O-N 3.48Å; Y46-L48 VanDerWaalsContact C-N 3.28Å; Y46-L48 PolarHBondContact O-N 3.14Å; L48-M50 VanDerWaalsContact C-N 3.35Å; L48-R51 PolarHBondContact O-N 3.2Å; L48-A52 PolarHBondContact O-N 3.35Å; L48-A52 VanDerWaalsContact O-N 3.1Å
49	I	97.8	Very high	96.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-64.5	-42.9	177.7	-58.7	-177.1	0	0	0	110.2	I18 Y27 W41 V45 Y46 R51 A52 K53 K96 L97	I18-I49 HydrophobicContact CD1-CG2 3.69Å; I18-I49 HydrophobicContact CG1-CG2 3.78Å; I18-I49 HydrophobicContact CG2-CG2 4.06Å; Y27-I49 HydrophobicContact CE2-CD1 4.13Å; Y27-I49 HydrophobicContact CE2-CG1 4.15Å; W41-I49 HydrophobicContact CH2-CD1 4.41Å; W41-I49 HydrophobicContact CZ2-CD1 3.76Å; V45-I49 HydrophobicContact CG1-CD1 3.8Å; V45-I49 HydrophobicContact CG1-CG1 4.15Å; V45-I49 PolarHBondContact O-N 2.93Å; Y46-I49 PolarHBondContact O-N 3.23Å; I49-R51 VanDerWaalsContact C-N 3.34Å; I49-R51 PolarHBondContact O-N 3.4Å; I49-A52 WeakPolarHBondContact O-CB 3.31Å; I49-A52 PolarHBondContact O-N 3.39Å; I49-K53 PolarHBondContact O-N 2.92Å; I49-K96 WeakPolarHBondContact CD1-O 3.48Å; I49-L97 HydrophobicContact CB-CD2 4.18Å; I49-L97 HydrophobicContact CG2-CD2 3.51Å; I49-L97 HydrophobicContact CG2-CG 4.12Å
50	M	96.3	Very high	96.5	Very high	39 Å²	39	50.4 Å²	50.4	19%	0.192	24%	0.241	C	C	.	.	H	α-helix	trans	-64.2	-39.6	178.5	-171.4	52.2	66.4	0	0	111.7	Y46 L48 A52 K53 L54 L97	Y46-M50 HydrophobicContact CE1-CB 4.32Å; Y46-M50 HydrophobicContact CE1-CE 4.15Å; Y46-M50 HydrophobicContact CE2-CE 4.1Å; Y46-M50 VanDerWaalsContact O-CB 3.31Å; Y46-M50 WeakPolarHBondContact O-CB 3.36Å; Y46-M50 PolarHBondContact O-N 2.85Å; Y46-M50 WeakPolarHBondContact OH-CE 3.39Å; L48-M50 VanDerWaalsContact C-N 3.35Å; M50-A52 VanDerWaalsContact C-N 3.34Å; M50-A52 PolarHBondContact O-N 3.18Å; M50-K53 PolarHBondContact O-N 3.11Å; M50-K53 HydrophobicContact SD-CB 4.46Å; M50-K53 HydrophobicContact SD-CD 4.19Å; M50-L54 HydrophobicContact CG-CD1 4.15Å; M50-L54 HydrophobicContact CG-CG 4.31Å; M50-L54 WeakPolarHBondContact O-CB 3.46Å; M50-L54 VanDerWaalsContact O-CG 3.26Å; M50-L54 WeakPolarHBondContact O-CG 3.26Å; M50-L54 PolarHBondContact O-N 2.89Å; M50-L54 HydrophobicContact SD-CG 4.18Å; M50-L97 HydrophobicContact CE-CD1 4.37Å; M50-L97 HydrophobicContact CE-CD2 3.75Å
51	R	96.7	Very high	96.4	Very high	123 Å²	123	50.1 Å²	50.1	46%	0.464	26%	0.257	S	S	.	.	H	α-helix	trans	-58.9	-46.2	173.4	-172.4	-174.3	-58.9	141.3	2.7	111.2	E26 P47 L48 I49 K53 L54 E55	E26-R51 IonicContact OE1-NH1 3.31Å; P47-R51 WeakPolarHBondContact O-CB 3.48Å; P47-R51 PolarHBondContact O-N 3.12Å; L48-R51 PolarHBondContact O-N 3.2Å; I49-R51 VanDerWaalsContact C-N 3.34Å; I49-R51 PolarHBondContact O-N 3.4Å; R51-K53 PolarHBondContact O-N 3.15Å; R51-L54 PolarHBondContact O-N 3.43Å; R51-E55 WeakPolarHBondContact CG-OE1 3.47Å; R51-E55 WeakPolarHBondContact O-CB 3.43Å; R51-E55 WeakPolarHBondContact O-CG 2.89Å; R51-E55 PolarHBondContact O-N 3.11Å
52	A	97.7	Very high	96.3	Very high	2 Å²	2	50.1 Å²	50.1	2%	0.017	26%	0.259	C	S	.	.	H	α-helix	trans	-59.1	-45.5	177.3	0	0	0	0	0	112.2	K17 I18 V21 L48 I49 M50 E55 A56	K17-A52 HydrophobicContact CB-CB 4.21Å; I18-A52 HydrophobicContact CG1-CB 4.25Å; V21-A52 HydrophobicContact CB-CB 4.49Å; V21-A52 HydrophobicContact CG2-CB 3.77Å; L48-A52 PolarHBondContact O-N 3.35Å; L48-A52 VanDerWaalsContact O-N 3.1Å; I49-A52 WeakPolarHBondContact O-CB 3.31Å; I49-A52 PolarHBondContact O-N 3.39Å; M50-A52 VanDerWaalsContact C-N 3.34Å; M50-A52 PolarHBondContact O-N 3.18Å; A52-E55 PolarHBondContact O-N 2.86Å; A52-A56 WeakPolarHBondContact O-CB 3.17Å; A52-A56 PolarHBondContact O-N 3.36Å
53	K	96.6	Very high	96.2	Very high	11 Å²	11	54.4 Å²	54.4	5%	0.048	27%	0.27	C	S	.	.	H	α-helix	trans	-59.4	-50.1	174.8	177.3	175.8	177.3	174.6	0	111.4	I14 I49 M50 R51 E55 A56 I57 E73 Q93 L97	I14-K53 HydrophobicContact CD1-CG 4.38Å; I14-K53 HydrophobicContact CG1-CG 4.43Å; I14-K53 HydrophobicContact CG2-CB 4.04Å; I14-K53 HydrophobicContact CG2-CG 3.94Å; I49-K53 PolarHBondContact O-N 2.92Å; M50-K53 PolarHBondContact O-N 3.11Å; M50-K53 HydrophobicContact SD-CB 4.46Å; M50-K53 HydrophobicContact SD-CD 4.19Å; R51-K53 PolarHBondContact O-N 3.15Å; K53-E55 VanDerWaalsContact C-N 3.27Å; K53-E55 PolarHBondContact O-N 3.3Å; K53-A56 WeakPolarHBondContact O-CB 3.37Å; K53-A56 PolarHBondContact O-N 2.88Å; K53-A56 VanDerWaalsContact O-N 3.15Å; K53-I57 WeakPolarHBondContact O-CG2 3.44Å; K53-I57 PolarHBondContact O-N 2.97Å; K53-I57 VanDerWaalsContact O-N 3.07Å; K53-E73 WeakPolarHBondContact CE-OE1 3.5Å; K53-E73 IonicContact NZ-OE1 2.78Å; K53-E73 PolarHBondContact NZ-OE1 3.4Å; K53-E73 IonicContact NZ-OE2 3.72Å; K53-E73 PolarHBondContact NZ-OE2 3.49Å; K53-Q93 VanDerWaalsContact NZ-NE2 3.14Å; K53-L97 HydrophobicContact CD-CD1 4.48Å
54	L	96.3	Very high	95.8	Very high	49 Å²	49	54 Å²	54	26%	0.257	28%	0.275	S	S	.	.	H	α-helix	trans	-64.6	-30.5	-179.3	-69.4	178.8	0	0	0	112.8	M50 R51 I57 K58 I69	M50-L54 HydrophobicContact CG-CD1 4.15Å; M50-L54 HydrophobicContact CG-CG 4.31Å; M50-L54 WeakPolarHBondContact O-CB 3.46Å; M50-L54 VanDerWaalsContact O-CG 3.26Å; M50-L54 WeakPolarHBondContact O-CG 3.26Å; M50-L54 PolarHBondContact O-N 2.89Å; M50-L54 HydrophobicContact SD-CG 4.18Å; R51-L54 PolarHBondContact O-N 3.43Å; L54-I57 HydrophobicContact CD2-CD1 3.85Å; L54-I57 WeakPolarHBondContact O-CG1 3.28Å; L54-K58 WeakPolarHBondContact O-CG 3.48Å; L54-I69 HydrophobicContact CD2-CD1 3.53Å; L54-I69 HydrophobicContact CD2-CG1 4.02Å; L54-I69 HydrophobicContact CD2-CG2 4.48Å
55	E	96.6	Very high	95.7	Very high	89 Å²	89	53 Å²	53	42%	0.416	27%	0.274	S	S	.	.	H	α-helix	trans	-71.2	-42.6	171.9	-74.8	173.2	-170.9	0	0	111.8	R51 A52 K53 I57 K58	R51-E55 WeakPolarHBondContact CG-OE1 3.47Å; R51-E55 WeakPolarHBondContact O-CB 3.43Å; R51-E55 WeakPolarHBondContact O-CG 2.89Å; R51-E55 PolarHBondContact O-N 3.11Å; A52-E55 PolarHBondContact O-N 2.86Å; K53-E55 VanDerWaalsContact C-N 3.27Å; K53-E55 PolarHBondContact O-N 3.3Å; E55-I57 PolarHBondContact O-N 3.38Å; E55-K58 WeakPolarHBondContact O-CB 3.34Å; E55-K58 PolarHBondContact O-N 3.35Å
56	A	96.9	Very high	95.6	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-60.7	-45.7	178.9	0	0	0	0	0	112.6	I14 K17 A52 K53 K58 D59 Y60	I14-A56 HydrophobicContact CB-CB 4.36Å; I14-A56 HydrophobicContact CG1-CB 3.74Å; K17-A56 HydrophobicContact CB-CB 4.3Å; K17-A56 HydrophobicContact CG-CB 3.86Å; A52-A56 WeakPolarHBondContact O-CB 3.17Å; A52-A56 PolarHBondContact O-N 3.36Å; K53-A56 WeakPolarHBondContact O-CB 3.37Å; K53-A56 PolarHBondContact O-N 2.88Å; K53-A56 VanDerWaalsContact O-N 3.15Å; A56-K58 PolarHBondContact O-N 3.07Å; A56-D59 WeakPolarHBondContact O-CB 3.48Å; A56-D59 PolarHBondContact O-N 3.45Å; A56-Y60 WeakPolarHBondContact O-CD2 3.44Å
57	I	96.5	Very high	95.6	Very high	2 Å²	2	61.1 Å²	61.1	1%	0.01	33%	0.325	C	S	.	.	H	α-helix	trans	-70.9	-20.3	-174.9	66.5	178.4	0	0	0	113	I14 K53 L54 E55 D59 Y60 V62 I69 F72	I14-I57 HydrophobicContact CD1-CG2 3.77Å; I14-I57 HydrophobicContact CG1-CG2 4.1Å; K53-I57 WeakPolarHBondContact O-CG2 3.44Å; K53-I57 PolarHBondContact O-N 2.97Å; K53-I57 VanDerWaalsContact O-N 3.07Å; L54-I57 HydrophobicContact CD2-CD1 3.85Å; L54-I57 WeakPolarHBondContact O-CG1 3.28Å; E55-I57 PolarHBondContact O-N 3.38Å; I57-D59 PolarHBondContact O-N 3.26Å; I57-Y60 PolarHBondContact O-N 2.88Å; I57-V62 HydrophobicContact CB-CB 4.16Å; I57-V62 HydrophobicContact CB-CG2 4.17Å; I57-V62 HydrophobicContact CD1-CB 4.26Å; I57-V62 HydrophobicContact CD1-CG1 3.92Å; I57-V62 HydrophobicContact CG1-CB 4.08Å; I57-V62 HydrophobicContact CG1-CG1 4.28Å; I57-V62 WeakPolarHBondContact O-CB 3.5Å; I57-V62 WeakPolarHBondContact O-CG2 3.43Å; I57-V62 PolarHBondContact O-N 3.32Å; I57-I69 HydrophobicContact CD1-CG1 4.26Å; I57-F72 HydrophobicContact CB-CE1 4.2Å; I57-F72 HydrophobicContact CB-CZ 4.26Å; I57-F72 HydrophobicContact CD1-CD1 4.4Å; I57-F72 HydrophobicContact CG2-CD1 4.25Å; I57-F72 HydrophobicContact CG2-CE1 3.48Å; I57-F72 VanDerWaalsContact CG2-CE1 3.48Å; I57-F72 HydrophobicContact CG2-CZ 3.64Å
58	K	96.2	Very high	95.5	Very high	108 Å²	108	60.2 Å²	60.2	47%	0.47	32%	0.317	S	S	.	.	H	α-helix	trans	-60.8	-33.1	173.4	-74.5	170	-173	174.8	0	111.8	L54 E55 A56 Y60 G61	L54-K58 WeakPolarHBondContact O-CG 3.48Å; E55-K58 WeakPolarHBondContact O-CB 3.34Å; E55-K58 PolarHBondContact O-N 3.35Å; A56-K58 PolarHBondContact O-N 3.07Å; K58-Y60 PolarHBondContact O-N 3.06Å; K58-Y60 VanDerWaalsContact O-N 3.17Å; K58-G61 PolarHBondContact O-N 3.5Å
59	D	95.2	Very high	95.4	Very high	109 Å²	109	61.4 Å²	61.4	58%	0.583	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-12.5	178.9	-63	-21.6	0	0	0	112.3	H13 A56 I57	H13-D59 IonicContact CE1-OD2 2.75Å; H13-D59 PolarHBondContact CE1-OD2 3.3Å; H13-D59 IonicContact NE2-OD2 3.56Å; A56-D59 WeakPolarHBondContact O-CB 3.48Å; A56-D59 PolarHBondContact O-N 3.45Å; I57-D59 PolarHBondContact O-N 3.26Å
60	Y	94.4	Very high	95.4	Very high	70 Å²	70	68 Å²	68	28%	0.275	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	15.3	172.6	-61.8	-92.3	0	0	0	112.6	A9 C10 H13 A56 I57 K58 V62	A9-Y60 VanDerWaalsContact C-OH 3.28Å; A9-Y60 PolarHBondContact O-OH 2.72Å; C10-Y60 VanDerWaalsContact CA-CZ 3.46Å; C10-Y60 WeakPolarHBondContact CA-OH 3.39Å; C10-Y60 HydrophobicContact CB-CD1 4.16Å; C10-Y60 HydrophobicContact CB-CD2 4.27Å; C10-Y60 HydrophobicContact CB-CE1 3.85Å; C10-Y60 HydrophobicContact CB-CE2 3.96Å; C10-Y60 HydrophobicContact CB-CG 4.38Å; C10-Y60 PolarHBondContact N-OH 2.78Å; C10-Y60 VanDerWaalsContact SG-CD2 3.52Å; H13-Y60 HydrophobicContact CB-CE2 4.08Å; H13-Y60 WeakPolarHBondContact CB-OH 3.49Å; H13-Y60 AromaticContact ND1-CE2 3.42Å; H13-Y60 WeakPolarHBondContact ND1-CE2 3.43Å; H13-Y60 AromaticContact ND1-CZ 3.91Å; A56-Y60 WeakPolarHBondContact O-CD2 3.44Å; I57-Y60 PolarHBondContact O-N 2.88Å; K58-Y60 PolarHBondContact O-N 3.06Å; K58-Y60 VanDerWaalsContact O-N 3.17Å; Y60-V62 VanDerWaalsContact C-N 3.35Å
61	G	93	Very high	95.4	Very high	67 Å²	67	72.7 Å²	72.7	69%	0.691	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.1	9.7	176.9	0	0	0	0	0	114.8	K58	K58-G61 PolarHBondContact O-N 3.5Å
62	V	94.6	Very high	95.3	Very high	17 Å²	17	67.3 Å²	67.3	10%	0.103	35%	0.347	C	S	.	.			trans	-78.6	124.8	178	-172.2	0	0	0	0	109.9	I57 Y60 D68 F72	I57-V62 HydrophobicContact CB-CB 4.16Å; I57-V62 HydrophobicContact CB-CG2 4.17Å; I57-V62 HydrophobicContact CD1-CB 4.26Å; I57-V62 HydrophobicContact CD1-CG1 3.92Å; I57-V62 HydrophobicContact CG1-CB 4.08Å; I57-V62 HydrophobicContact CG1-CG1 4.28Å; I57-V62 WeakPolarHBondContact O-CB 3.5Å; I57-V62 WeakPolarHBondContact O-CG2 3.43Å; I57-V62 PolarHBondContact O-N 3.32Å; Y60-V62 VanDerWaalsContact C-N 3.35Å; V62-D68 HydrophobicContact CG1-CB 4.45Å; V62-F72 HydrophobicContact CG1-CB 4.06Å; V62-F72 HydrophobicContact CG1-CG 4.38Å; V62-F72 HydrophobicContact CG2-CB 3.98Å; V62-F72 HydrophobicContact CG2-CD2 3.43Å; V62-F72 VanDerWaalsContact CG2-CD2 3.43Å; V62-F72 HydrophobicContact CG2-CE2 4.03Å; V62-F72 HydrophobicContact CG2-CG 3.71Å
63	R	93.3	Very high	95.2	Very high	172 Å²	172	69.7 Å²	69.7	65%	0.649	36%	0.358	S	S	*	.			trans	-80.1	149.7	174.5	-60.4	-179.9	-63.5	-165	-5.8	110.1	S65 D68	R63-S65 PolarHBondContact O-N 3.45Å; R63-D68 HydrophobicContact CB-CB 4.31Å; R63-D68 WeakPolarHBondContact CB-OD2 3.47Å; R63-D68 IonicContact CZ-OD1 2.73Å; R63-D68 IonicContact CZ-OD2 2.78Å; R63-D68 VanDerWaalsContact CZ-OD2 3.31Å; R63-D68 IonicContact NE-OD1 3.67Å; R63-D68 IonicContact NE-OD2 2.58Å; R63-D68 PolarHBondContact NE-OD2 3.14Å; R63-D68 IonicContact NH2-OD1 2.9Å; R63-D68 PolarHBondContact NH2-OD1 3.04Å; R63-D68 IonicContact NH2-OD2 3.08Å; R63-D68 PolarHBondContact NH2-OD2 2.85Å; R63-D68 VanDerWaalsContact NH2-OD2 3.08Å
64	A	88.2	Confident	95.2	Very high	73 Å²	73	74 Å²	74	60%	0.603	38%	0.378	S	S	*	.	S	Bend	trans	-77.2	47.8	177.6	0	0	0	0	0	112.8
65	S	94.5	Very high	95.1	Very high	34 Å²	34	73.9 Å²	73.9	24%	0.238	38%	0.376	C	S	.	.	S	Bend	trans	-106	145.4	169.9	86.7	0	0	0	0	109.3	R63 E67 D68 I69	R63-S65 PolarHBondContact O-N 3.45Å; S65-E67 PolarHBondContact O-N 2.92Å; S65-D68 PolarHBondContact O-N 3.18Å; S65-D68 WeakPolarHBondContact OG-CB 3.47Å; S65-D68 PolarHBondContact OG-N 3.33Å; S65-D68 VanDerWaalsContact OG-N 3.09Å; S65-D68 PolarHBondContact OG-OD2 3.24Å; S65-I69 WeakPolarHBondContact O-CB 3.2Å; S65-I69 WeakPolarHBondContact O-CD1 3.42Å; S65-I69 VanDerWaalsContact O-CG1 3.23Å; S65-I69 WeakPolarHBondContact O-CG1 3.45Å; S65-I69 PolarHBondContact O-N 3.46Å
66	P	94.3	Very high	95.1	Very high	113 Å²	113	69.7 Å²	69.7	73%	0.734	36%	0.357	S	S	*	.	H	α-helix	trans	-57	-34.3	179	-26.8	35.2	0	0	0	113.5	R70	P66-R70 VanDerWaalsContact O-CB 3.26Å; P66-R70 WeakPolarHBondContact O-CB 3.47Å; P66-R70 PolarHBondContact O-N 3.2Å
67	E	97.1	Very high	95	Very high	138 Å²	138	72.5 Å²	72.5	65%	0.645	37%	0.374	S	S	*	.	H	α-helix	trans	-70.8	-46.6	179.1	-174.3	179	-175.3	0	0	112.2	S65 I69 R70 K71	S65-E67 PolarHBondContact O-N 2.92Å; E67-I69 VanDerWaalsContact C-N 3.34Å; E67-R70 PolarHBondContact O-N 3.3Å; E67-K71 WeakPolarHBondContact O-CB 3.42Å; E67-K71 PolarHBondContact O-N 3.32Å
68	D	95.8	Very high	94.9	Very high	36 Å²	36	75 Å²	75	19%	0.193	40%	0.395	C	S	.	.	H	α-helix	trans	-65.8	-39.5	178.9	-65.8	-56.5	0	0	0	110.9	V62 R63 S65 F72	V62-D68 HydrophobicContact CG1-CB 4.45Å; R63-D68 HydrophobicContact CB-CB 4.31Å; R63-D68 WeakPolarHBondContact CB-OD2 3.47Å; R63-D68 IonicContact CZ-OD1 2.73Å; R63-D68 IonicContact CZ-OD2 2.78Å; R63-D68 VanDerWaalsContact CZ-OD2 3.31Å; R63-D68 IonicContact NE-OD1 3.67Å; R63-D68 IonicContact NE-OD2 2.58Å; R63-D68 PolarHBondContact NE-OD2 3.14Å; R63-D68 IonicContact NH2-OD1 2.9Å; R63-D68 PolarHBondContact NH2-OD1 3.04Å; R63-D68 IonicContact NH2-OD2 3.08Å; R63-D68 PolarHBondContact NH2-OD2 2.85Å; R63-D68 VanDerWaalsContact NH2-OD2 3.08Å; S65-D68 PolarHBondContact O-N 3.18Å; S65-D68 WeakPolarHBondContact OG-CB 3.47Å; S65-D68 PolarHBondContact OG-N 3.33Å; S65-D68 VanDerWaalsContact OG-N 3.09Å; S65-D68 PolarHBondContact OG-OD2 3.24Å; D68-F72 WeakPolarHBondContact O-CB 3.5Å; D68-F72 PolarHBondContact O-N 3.15Å
69	I	96.3	Very high	94.8	Very high	38 Å²	38	71.4 Å²	71.4	20%	0.195	38%	0.381	C	S	.	.	H	α-helix	trans	-62.3	-50.7	174.6	-66.5	161	0	0	0	110	L54 I57 S65 E67 K71 F72 E73	L54-I69 HydrophobicContact CD2-CD1 3.53Å; L54-I69 HydrophobicContact CD2-CG1 4.02Å; L54-I69 HydrophobicContact CD2-CG2 4.48Å; I57-I69 HydrophobicContact CD1-CG1 4.26Å; S65-I69 WeakPolarHBondContact O-CB 3.2Å; S65-I69 WeakPolarHBondContact O-CD1 3.42Å; S65-I69 VanDerWaalsContact O-CG1 3.23Å; S65-I69 WeakPolarHBondContact O-CG1 3.45Å; S65-I69 PolarHBondContact O-N 3.46Å; E67-I69 VanDerWaalsContact C-N 3.34Å; I69-K71 VanDerWaalsContact C-N 3.32Å; I69-K71 PolarHBondContact O-N 3.49Å; I69-F72 WeakPolarHBondContact O-CB 3.42Å; I69-F72 PolarHBondContact O-N 2.83Å; I69-F72 VanDerWaalsContact O-N 3.13Å; I69-E73 HydrophobicContact CG2-CG 4.29Å; I69-E73 WeakPolarHBondContact O-CG 3.35Å; I69-E73 PolarHBondContact O-N 3.46Å
70	R	96.1	Very high	94.8	Very high	137 Å²	137	66.6 Å²	66.6	52%	0.517	36%	0.355	S	S	.	.	H	α-helix	trans	-56.7	-46.5	179.6	-179.6	-179.4	64.7	99.2	-2.8	111.8	P66 E67 F72 E73 E74	P66-R70 VanDerWaalsContact O-CB 3.26Å; P66-R70 WeakPolarHBondContact O-CB 3.47Å; P66-R70 PolarHBondContact O-N 3.2Å; E67-R70 PolarHBondContact O-N 3.3Å; R70-F72 VanDerWaalsContact C-N 3.31Å; R70-F72 PolarHBondContact O-N 3.34Å; R70-E73 PolarHBondContact O-N 3.31Å; R70-E74 HydrophobicContact CG-CG 4.48Å; R70-E74 WeakPolarHBondContact CG-OE1 3.29Å; R70-E74 IonicContact CZ-OE1 3.68Å; R70-E74 IonicContact NE-OE1 3.97Å; R70-E74 IonicContact NH1-OE1 2.8Å; R70-E74 PolarHBondContact NH1-OE1 3.39Å; R70-E74 IonicContact NH1-OE2 3.88Å; R70-E74 WeakPolarHBondContact O-CG 3.37Å; R70-E74 PolarHBondContact O-N 2.73Å
71	K	96.3	Very high	94.6	Very high	138 Å²	138	69 Å²	69	60%	0.6	37%	0.369	S	S	*	.	H	α-helix	trans	-60.7	-41.8	177.9	-176.1	-177.7	177.4	-179.3	0	111.9	E67 I69 E74 E75	E67-K71 WeakPolarHBondContact O-CB 3.42Å; E67-K71 PolarHBondContact O-N 3.32Å; I69-K71 VanDerWaalsContact C-N 3.32Å; I69-K71 PolarHBondContact O-N 3.49Å; K71-E74 PolarHBondContact O-N 3Å; K71-E75 WeakPolarHBondContact O-CB 3.1Å; K71-E75 PolarHBondContact O-N 3.4Å
72	F	96.1	Very high	94.3	Very high	10 Å²	10	71.8 Å²	71.8	4%	0.044	37%	0.368	C	S	.	.	H	α-helix	trans	-62.6	-45.1	175.5	167.7	-94.4	0	0	0	111.9	L2 C10 I57 V62 D68 I69 R70 E74 E75 M76	L2-F72 HydrophobicContact CD1-CD2 4.04Å; L2-F72 HydrophobicContact CD1-CE2 3.7Å; C10-F72 VanDerWaalsContact SG-CZ 3.53Å; I57-F72 HydrophobicContact CB-CE1 4.2Å; I57-F72 HydrophobicContact CB-CZ 4.26Å; I57-F72 HydrophobicContact CD1-CD1 4.4Å; I57-F72 HydrophobicContact CG2-CD1 4.25Å; I57-F72 HydrophobicContact CG2-CE1 3.48Å; I57-F72 VanDerWaalsContact CG2-CE1 3.48Å; I57-F72 HydrophobicContact CG2-CZ 3.64Å; V62-F72 HydrophobicContact CG1-CB 4.06Å; V62-F72 HydrophobicContact CG1-CG 4.38Å; V62-F72 HydrophobicContact CG2-CB 3.98Å; V62-F72 HydrophobicContact CG2-CD2 3.43Å; V62-F72 VanDerWaalsContact CG2-CD2 3.43Å; V62-F72 HydrophobicContact CG2-CE2 4.03Å; V62-F72 HydrophobicContact CG2-CG 3.71Å; D68-F72 WeakPolarHBondContact O-CB 3.5Å; D68-F72 PolarHBondContact O-N 3.15Å; I69-F72 WeakPolarHBondContact O-CB 3.42Å; I69-F72 PolarHBondContact O-N 2.83Å; I69-F72 VanDerWaalsContact O-N 3.13Å; R70-F72 VanDerWaalsContact C-N 3.31Å; R70-F72 PolarHBondContact O-N 3.34Å; F72-E74 PolarHBondContact O-N 3.14Å; F72-E75 PolarHBondContact O-N 3.5Å; F72-M76 HydrophobicContact CD1-CG 4.26Å; F72-M76 HydrophobicContact CD2-CG 4.16Å; F72-M76 HydrophobicContact CE1-CG 3.77Å; F72-M76 HydrophobicContact CE2-CG 3.68Å; F72-M76 HydrophobicContact CE2-SD 3.98Å; F72-M76 HydrophobicContact CG-CG 4.43Å; F72-M76 HydrophobicContact CZ-CE 4.21Å; F72-M76 HydrophobicContact CZ-CG 3.46Å; F72-M76 VanDerWaalsContact CZ-CG 3.46Å; F72-M76 HydrophobicContact CZ-SD 3.93Å; F72-M76 WeakPolarHBondContact O-CB 3.38Å; F72-M76 VanDerWaalsContact O-CG 3.28Å; F72-M76 WeakPolarHBondContact O-CG 3.05Å; F72-M76 PolarHBondContact O-N 3.34Å
73	E	95.4	Very high	94.3	Very high	52 Å²	52	72.7 Å²	72.7	24%	0.243	37%	0.372	C	S	.	.	H	α-helix	trans	-63.2	-41	177	-62	-64.6	145.9	0	0	112	K53 I69 R70 E75 M76 T77	K53-E73 WeakPolarHBondContact CE-OE1 3.5Å; K53-E73 IonicContact NZ-OE1 2.78Å; K53-E73 PolarHBondContact NZ-OE1 3.4Å; K53-E73 IonicContact NZ-OE2 3.72Å; K53-E73 PolarHBondContact NZ-OE2 3.49Å; I69-E73 HydrophobicContact CG2-CG 4.29Å; I69-E73 WeakPolarHBondContact O-CG 3.35Å; I69-E73 PolarHBondContact O-N 3.46Å; R70-E73 PolarHBondContact O-N 3.31Å; E73-E75 VanDerWaalsContact C-N 3.34Å; E73-E75 PolarHBondContact O-N 2.89Å; E73-M76 PolarHBondContact O-N 3.15Å; E73-T77 WeakPolarHBondContact O-CB 3.37Å; E73-T77 PolarHBondContact O-N 3.32Å; E73-T77 PolarHBondContact O-OG1 3Å
74	E	95.6	Very high	94.4	Very high	101 Å²	101	70 Å²	70	47%	0.472	37%	0.371	S	S	.	.	H	α-helix	trans	-60.7	-42.6	175.7	-73.6	168.9	-172.9	0	0	111.2	R70 K71 F72 T77 A78	R70-E74 HydrophobicContact CG-CG 4.48Å; R70-E74 WeakPolarHBondContact CG-OE1 3.29Å; R70-E74 IonicContact CZ-OE1 3.68Å; R70-E74 IonicContact NE-OE1 3.97Å; R70-E74 IonicContact NH1-OE1 2.8Å; R70-E74 PolarHBondContact NH1-OE1 3.39Å; R70-E74 IonicContact NH1-OE2 3.88Å; R70-E74 WeakPolarHBondContact O-CG 3.37Å; R70-E74 PolarHBondContact O-N 2.73Å; K71-E74 PolarHBondContact O-N 3Å; F72-E74 PolarHBondContact O-N 3.14Å; E74-T77 PolarHBondContact O-N 2.74Å; E74-A78 WeakPolarHBondContact O-CB 3.23Å; E74-A78 PolarHBondContact O-N 2.58Å
75	E	95.4	Very high	94.8	Very high	47 Å²	47	71 Å²	71	22%	0.22	36%	0.363	C	S	.	.	H	α-helix	trans	-66.4	-45.4	176.3	179.5	167.6	-159.5	0	0	112.5	M1 L2 K71 F72 E73 T77 A78 L79	M1-E75 WeakPolarHBondContact CA-OE1 3.47Å; M1-E75 VanDerWaalsContact CB-OE1 3.22Å; M1-E75 WeakPolarHBondContact CB-OE1 3.33Å; M1-E75 WeakPolarHBondContact CG-OE1 3.22Å; L2-E75 PolarHBondContact N-OE1 3.31Å; K71-E75 WeakPolarHBondContact O-CB 3.1Å; K71-E75 PolarHBondContact O-N 3.4Å; F72-E75 PolarHBondContact O-N 3.5Å; E73-E75 VanDerWaalsContact C-N 3.34Å; E73-E75 PolarHBondContact O-N 2.89Å; E75-T77 VanDerWaalsContact C-N 3.28Å; E75-T77 PolarHBondContact O-N 3.31Å; E75-A78 PolarHBondContact O-N 2.95Å; E75-L79 HydrophobicContact CG-CD1 4.23Å; E75-L79 WeakPolarHBondContact O-CG 3.16Å; E75-L79 PolarHBondContact O-N 2.99Å
76	M	96.1	Very high	95	Very high	2 Å²	2	69.5 Å²	69.5	1%	0.01	35%	0.352	C	S	.	.	H	α-helix	trans	-62	-37.1	176.5	-71.6	-66.5	-76	0	0	112.2	L2 A7 C10 Y11 F72 E73 S80	L2-M76 HydrophobicContact CD1-SD 3.81Å; A7-M76 HydrophobicContact CB-CE 4.15Å; A7-M76 HydrophobicContact CB-SD 3.75Å; C10-M76 HydrophobicContact CB-CE 3.97Å; Y11-M76 HydrophobicContact CD1-CE 3.97Å; Y11-M76 HydrophobicContact CD2-CE 3.54Å; Y11-M76 HydrophobicContact CE1-CE 3.84Å; Y11-M76 HydrophobicContact CE2-CE 3.39Å; Y11-M76 HydrophobicContact CG-CE 3.82Å; Y11-M76 PolarHBondContact OH-O 2.83Å; F72-M76 HydrophobicContact CD1-CG 4.26Å; F72-M76 HydrophobicContact CD2-CG 4.16Å; F72-M76 HydrophobicContact CE1-CG 3.77Å; F72-M76 HydrophobicContact CE2-CG 3.68Å; F72-M76 HydrophobicContact CE2-SD 3.98Å; F72-M76 HydrophobicContact CG-CG 4.43Å; F72-M76 HydrophobicContact CZ-CE 4.21Å; F72-M76 HydrophobicContact CZ-CG 3.46Å; F72-M76 VanDerWaalsContact CZ-CG 3.46Å; F72-M76 HydrophobicContact CZ-SD 3.93Å; F72-M76 WeakPolarHBondContact O-CB 3.38Å; F72-M76 VanDerWaalsContact O-CG 3.28Å; F72-M76 WeakPolarHBondContact O-CG 3.05Å; F72-M76 PolarHBondContact O-N 3.34Å; E73-M76 PolarHBondContact O-N 3.15Å; M76-S80 PolarHBondContact O-N 2.89Å; M76-S80 PolarHBondContact O-OG 3.33Å
77	T	94.4	Very high	95.1	Very high	59 Å²	59	67.7 Å²	67.7	36%	0.362	33%	0.333	S	S	.	.	H	α-helix	trans	-66.9	-47.4	175.5	-56.8	0	0	0	0	111.1	E73 E74 E75 L79 S80 E81	E73-T77 WeakPolarHBondContact O-CB 3.37Å; E73-T77 PolarHBondContact O-N 3.32Å; E73-T77 PolarHBondContact O-OG1 3Å; E74-T77 PolarHBondContact O-N 2.74Å; E75-T77 VanDerWaalsContact C-N 3.28Å; E75-T77 PolarHBondContact O-N 3.31Å; T77-L79 PolarHBondContact O-N 3.01Å; T77-S80 PolarHBondContact O-N 3.05Å; T77-S80 VanDerWaalsContact O-N 3.11Å; T77-S80 PolarHBondContact O-OG 3.09Å; T77-E81 HydrophobicContact CG2-CG 4.48Å; T77-E81 WeakPolarHBondContact O-CG 3.27Å; T77-E81 PolarHBondContact O-N 3.18Å
78	A	95	Very high	95.1	Very high	54 Å²	54	67.5 Å²	67.5	45%	0.446	33%	0.332	S	S	.	.	H	α-helix	trans	-61.4	-35.1	178.7	0	0	0	0	0	112.5	E74 E75 N82	E74-A78 WeakPolarHBondContact O-CB 3.23Å; E74-A78 PolarHBondContact O-N 2.58Å; E75-A78 PolarHBondContact O-N 2.95Å; A78-N82 PolarHBondContact O-ND2 2.95Å
79	L	94.6	Very high	95.2	Very high	33 Å²	33	66.8 Å²	66.8	17%	0.173	33%	0.328	C	S	.	.	H	α-helix	trans	-70	-39	174.8	-72.6	168.5	0	0	0	112.1	L2 K4 A7 E75 T77 L86	L2-L79 HydrophobicContact CB-CD1 3.89Å; L2-L79 WeakPolarHBondContact O-CD1 3.38Å; K4-L79 HydrophobicContact CG-CD2 4.26Å; A7-L79 HydrophobicContact CB-CB 4.39Å; A7-L79 HydrophobicContact CB-CD1 3.77Å; E75-L79 HydrophobicContact CG-CD1 4.23Å; E75-L79 WeakPolarHBondContact O-CG 3.16Å; E75-L79 PolarHBondContact O-N 2.99Å; T77-L79 PolarHBondContact O-N 3.01Å; L79-L86 HydrophobicContact CB-CD1 4.11Å
80	S	93.9	Very high	95.2	Very high	7 Å²	7	66.1 Å²	66.1	5%	0.049	33%	0.325	C	S	.	.	H	α-helix	trans	-74.2	-34.3	-179.4	68.5	0	0	0	0	113.3	M76 T77 N82 D83 K87	M76-S80 PolarHBondContact O-N 2.89Å; M76-S80 PolarHBondContact O-OG 3.33Å; T77-S80 PolarHBondContact O-N 3.05Å; T77-S80 VanDerWaalsContact O-N 3.11Å; T77-S80 PolarHBondContact O-OG 3.09Å; S80-N82 PolarHBondContact O-N 3.17Å; S80-D83 PolarHBondContact O-N 2.95Å; S80-D83 VanDerWaalsContact O-O 3.05Å; S80-K87 VanDerWaalsContact O-CE 3.22Å; S80-K87 WeakPolarHBondContact O-CE 3.41Å; S80-K87 WeakPolarHBondContact O-CG 3.44Å
81	E	91	Very high	95.2	Very high	120 Å²	120	65.7 Å²	65.7	56%	0.561	33%	0.329	S	S	*	.	H	α-helix	trans	-53.8	-28.3	179.8	-78	179.4	167.6	0	0	114	T77 K87	T77-E81 HydrophobicContact CG2-CG 4.48Å; T77-E81 WeakPolarHBondContact O-CG 3.27Å; T77-E81 PolarHBondContact O-N 3.18Å; E81-K87 VanDerWaalsContact C-CE 3.49Å; E81-K87 WeakPolarHBondContact O-CE 3.37Å; E81-K87 PolarHBondContact O-NZ 3.48Å
82	N	86.6	Confident	95.2	Very high	126 Å²	126	63.6 Å²	63.6	67%	0.674	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	19.9	-177.3	-59.6	-72.4	0	0	0	113.5	K4 A78 S80	K4-N82 PolarHBondContact NZ-O 3Å; A78-N82 PolarHBondContact O-ND2 2.95Å; S80-N82 PolarHBondContact O-N 3.17Å
83	D	94.9	Very high	95.1	Very high	36 Å²	36	63.3 Å²	63.3	19%	0.193	32%	0.318	C	S	.	.			trans	-154.4	109.9	-177	-159.9	-71.6	0	0	0	112	K4 S80 E85 L86 K87	K4-D83 WeakPolarHBondContact CD-OD2 3.34Å; K4-D83 IonicContact NZ-OD2 3.64Å; K4-D83 PolarHBondContact NZ-OD2 3.09Å; S80-D83 PolarHBondContact O-N 2.95Å; S80-D83 VanDerWaalsContact O-O 3.05Å; D83-E85 VanDerWaalsContact C-N 3.29Å; D83-E85 PolarHBondContact O-N 3.27Å; D83-E85 PolarHBondContact OD1-N 2.62Å; D83-L86 HydrophobicContact CB-CB 4Å; D83-L86 HydrophobicContact CB-CD1 3.87Å; D83-L86 HydrophobicContact CB-CG 3.89Å; D83-L86 PolarHBondContact O-N 3.25Å; D83-L86 VanDerWaalsContact O-N 3.15Å; D83-L86 PolarHBondContact OD1-N 2.9Å; D83-K87 PolarHBondContact O-N 2.84Å
84	D	95.9	Very high	95	Very high	117 Å²	117	67.5 Å²	67.5	63%	0.626	33%	0.332	S	S	*	.	H	α-helix	trans	-63.6	-33.9	-173.4	-63.9	-26.3	0	0	0	112.6	K87 E88	D84-K87 WeakPolarHBondContact O-CB 3.48Å; D84-K87 PolarHBondContact O-N 3.21Å; D84-K87 IonicContact OD1-NZ 2.82Å; D84-E88 WeakPolarHBondContact O-CG 3.26Å; D84-E88 PolarHBondContact O-N 2.98Å
85	E	96.6	Very high	94.9	Very high	93 Å²	93	65.7 Å²	65.7	44%	0.435	33%	0.33	S	S	.	.	H	α-helix	trans	-66.7	-40.8	176.3	-178.5	173.7	-147.2	0	0	111.3	K8 D83 K87 E88 L89	K8-E85 VanDerWaalsContact CE-CD 3.44Å; K8-E85 WeakPolarHBondContact CE-OE1 3.46Å; K8-E85 WeakPolarHBondContact CE-OE2 3.15Å; K8-E85 IonicContact NZ-OE1 2.72Å; K8-E85 PolarHBondContact NZ-OE1 3.38Å; K8-E85 IonicContact NZ-OE2 3.11Å; K8-E85 PolarHBondContact NZ-OE2 3.42Å; D83-E85 VanDerWaalsContact C-N 3.29Å; D83-E85 PolarHBondContact O-N 3.27Å; D83-E85 PolarHBondContact OD1-N 2.62Å; E85-K87 VanDerWaalsContact C-N 3.32Å; E85-K87 PolarHBondContact O-N 3.23Å; E85-E88 PolarHBondContact O-N 3.44Å; E85-L89 HydrophobicContact CG-CD1 4.48Å; E85-L89 WeakPolarHBondContact O-CG 3.42Å; E85-L89 PolarHBondContact O-N 2.88Å; E85-L89 VanDerWaalsContact O-N 3.14Å
86	L	97.2	Very high	94.9	Very high	2 Å²	2	65.6 Å²	65.6	1%	0.01	33%	0.329	C	S	.	.	H	α-helix	trans	-67.6	-32	174.7	-63.9	-176.6	0	0	0	112.3	K4 A7 K8 Y11 L79 D83 L89 D90	K4-L86 HydrophobicContact CG-CD1 4.47Å; A7-L86 HydrophobicContact CB-CD1 4.14Å; A7-L86 HydrophobicContact CB-CD2 4.29Å; K8-L86 HydrophobicContact CB-CD2 3.72Å; Y11-L86 HydrophobicContact CD2-CD2 3.98Å; Y11-L86 HydrophobicContact CE2-CB 4.29Å; Y11-L86 HydrophobicContact CE2-CD2 4.22Å; L79-L86 HydrophobicContact CB-CD1 4.11Å; D83-L86 HydrophobicContact CB-CB 4Å; D83-L86 HydrophobicContact CB-CD1 3.87Å; D83-L86 HydrophobicContact CB-CG 3.89Å; D83-L86 PolarHBondContact O-N 3.25Å; D83-L86 VanDerWaalsContact O-N 3.15Å; D83-L86 PolarHBondContact OD1-N 2.9Å; L86-L89 HydrophobicContact CD2-CD1 4.46Å; L86-L89 PolarHBondContact O-N 2.91Å; L86-D90 PolarHBondContact O-N 3.13Å
87	K	97.3	Very high	94.7	Very high	75 Å²	75	66.2 Å²	66.2	33%	0.326	33%	0.333	S	S	.	.	H	α-helix	trans	-64.2	-47.5	173.5	-69.8	178.1	-176.3	157.7	0	111.7	S80 E81 D83 D84 E85 L89 D90 E91	S80-K87 VanDerWaalsContact O-CE 3.22Å; S80-K87 WeakPolarHBondContact O-CE 3.41Å; S80-K87 WeakPolarHBondContact O-CG 3.44Å; E81-K87 VanDerWaalsContact C-CE 3.49Å; E81-K87 WeakPolarHBondContact O-CE 3.37Å; E81-K87 PolarHBondContact O-NZ 3.48Å; D83-K87 PolarHBondContact O-N 2.84Å; D84-K87 WeakPolarHBondContact O-CB 3.48Å; D84-K87 PolarHBondContact O-N 3.21Å; D84-K87 IonicContact OD1-NZ 2.82Å; E85-K87 VanDerWaalsContact C-N 3.32Å; E85-K87 PolarHBondContact O-N 3.23Å; K87-L89 PolarHBondContact O-N 3.43Å; K87-D90 PolarHBondContact O-N 3.02Å; K87-E91 WeakPolarHBondContact O-CB 3.28Å; K87-E91 WeakPolarHBondContact O-CG 3.48Å; K87-E91 PolarHBondContact O-N 3.29Å
88	E	97.6	Very high	94.4	Very high	135 Å²	135	68.6 Å²	68.6	63%	0.631	34%	0.341	S	S	*	.	H	α-helix	trans	-59	-39.8	177.8	-71.8	179.4	-179.6	0	0	111.4	D84 E85 K92	D84-E88 WeakPolarHBondContact O-CG 3.26Å; D84-E88 PolarHBondContact O-N 2.98Å; E85-E88 PolarHBondContact O-N 3.44Å; E88-K92 WeakPolarHBondContact O-CB 3.48Å; E88-K92 PolarHBondContact O-N 3.35Å
89	L	97.9	Very high	94	Very high	21 Å²	21	67.5 Å²	67.5	11%	0.11	33%	0.329	C	S	.	.	H	α-helix	trans	-67.3	-42.3	175.8	-72.5	173	0	0	0	112.9	K8 Y11 L12 L15 E85 L86 K87 K92 Q93	K8-L89 HydrophobicContact CG-CD1 3.95Å; Y11-L89 HydrophobicContact CD2-CB 4.12Å; Y11-L89 HydrophobicContact CG-CB 3.93Å; L12-L89 HydrophobicContact CD2-CD2 3.71Å; L12-L89 HydrophobicContact CG-CD1 4.42Å; L12-L89 HydrophobicContact CG-CD2 4.36Å; L15-L89 HydrophobicContact CD1-CD2 3.88Å; E85-L89 HydrophobicContact CG-CD1 4.48Å; E85-L89 WeakPolarHBondContact O-CG 3.42Å; E85-L89 PolarHBondContact O-N 2.88Å; E85-L89 VanDerWaalsContact O-N 3.14Å; L86-L89 HydrophobicContact CD2-CD1 4.46Å; L86-L89 PolarHBondContact O-N 2.91Å; K87-L89 PolarHBondContact O-N 3.43Å; L89-K92 PolarHBondContact O-N 2.99Å; L89-Q93 WeakPolarHBondContact O-CB 3.35Å; L89-Q93 PolarHBondContact O-N 2.81Å
90	D	95.4	Very high	93.4	Very high	23 Å²	23	71 Å²	71	12%	0.123	36%	0.363	C	S	.	.	H	α-helix	trans	-62.1	-46.9	174.4	-178.8	54.8	0	0	0	111.3	Y11 L86 K87 K92 Q93 R94	Y11-D90 HydrophobicContact CE1-CB 3.87Å; L86-D90 PolarHBondContact O-N 3.13Å; K87-D90 PolarHBondContact O-N 3.02Å; D90-K92 VanDerWaalsContact C-N 3.32Å; D90-K92 PolarHBondContact O-N 3.36Å; D90-Q93 WeakPolarHBondContact O-CB 3.34Å; D90-Q93 PolarHBondContact O-N 2.97Å; D90-Q93 VanDerWaalsContact O-N 3.14Å; D90-R94 WeakPolarHBondContact O-CB 3.45Å; D90-R94 VanDerWaalsContact O-CG 3.28Å; D90-R94 WeakPolarHBondContact O-CG 3.38Å; D90-R94 PolarHBondContact O-N 3.04Å; D90-R94 WeakPolarHBondContact OD2-CD 3.34Å
91	E	95.1	Very high	92.3	Very high	128 Å²	128	72.7 Å²	72.7	60%	0.598	37%	0.37	S	S	*	.	H	α-helix	trans	-59.8	-43	176.6	-73.7	179.4	-177.7	0	0	111.5	K87 Q93 R94 S95	K87-E91 WeakPolarHBondContact O-CB 3.28Å; K87-E91 WeakPolarHBondContact O-CG 3.48Å; K87-E91 PolarHBondContact O-N 3.29Å; E91-Q93 PolarHBondContact O-N 3.11Å; E91-R94 PolarHBondContact O-N 3.04Å; E91-S95 WeakPolarHBondContact O-CB 3.42Å; E91-S95 PolarHBondContact O-N 3.41Å
92	K	96.2	Very high	90.9	Very high	95 Å²	95	73.4 Å²	73.4	41%	0.413	38%	0.378	S	S	.	.	H	α-helix	trans	-59.8	-47.4	174.4	-172.2	177.6	172.5	-169.2	0	110.5	L15 E19 E88 L89 D90 R94 S95 K96	L15-K92 HydrophobicContact CD1-CB 4.47Å; L15-K92 HydrophobicContact CD1-CD 3.89Å; L15-K92 HydrophobicContact CD1-CG 4.28Å; L15-K92 HydrophobicContact CD2-CB 4.43Å; L15-K92 HydrophobicContact CD2-CD 4.19Å; L15-K92 HydrophobicContact CD2-CG 3.9Å; E19-K92 IonicContact OE1-NZ 3.72Å; E88-K92 WeakPolarHBondContact O-CB 3.48Å; E88-K92 PolarHBondContact O-N 3.35Å; L89-K92 PolarHBondContact O-N 2.99Å; D90-K92 VanDerWaalsContact C-N 3.32Å; D90-K92 PolarHBondContact O-N 3.36Å; K92-R94 PolarHBondContact O-N 3.29Å; K92-S95 PolarHBondContact O-N 3.47Å; K92-S95 PolarHBondContact O-OG 3.41Å; K92-K96 WeakPolarHBondContact O-CG 3.48Å; K92-K96 PolarHBondContact O-N 2.97Å
93	Q	95.2	Very high	89.2	Confident	3 Å²	3	73 Å²	73	1%	0.014	38%	0.38	C	S	.	.	H	α-helix	trans	-60.3	-44.4	176.6	-177.6	-173.5	-75.5	0	0	111.8	I14 L15 K53 L89 D90 E91 S95 K96 L97	I14-Q93 VanDerWaalsContact CD1-OE1 3.28Å; I14-Q93 HydrophobicContact CG2-CG 4.07Å; L15-Q93 HydrophobicContact CD2-CB 4.28Å; K53-Q93 VanDerWaalsContact NZ-NE2 3.14Å; L89-Q93 WeakPolarHBondContact O-CB 3.35Å; L89-Q93 PolarHBondContact O-N 2.81Å; D90-Q93 WeakPolarHBondContact O-CB 3.34Å; D90-Q93 PolarHBondContact O-N 2.97Å; D90-Q93 VanDerWaalsContact O-N 3.14Å; E91-Q93 PolarHBondContact O-N 3.11Å; Q93-S95 VanDerWaalsContact C-N 3.33Å; Q93-S95 PolarHBondContact O-N 2.9Å; Q93-K96 WeakPolarHBondContact O-CB 3.43Å; Q93-K96 PolarHBondContact O-N 3.4Å; Q93-L97 PolarHBondContact O-N 2.94Å
94	R	93.1	Very high	86.6	Confident	141 Å²	141	75.5 Å²	75.5	53%	0.532	40%	0.4	S	S	.	.	H	α-helix	trans	-63.7	-38.7	178.6	-72.8	174.9	61.6	157.8	0.9	112	D90 E91 K92 K96 L97 M98	D90-R94 WeakPolarHBondContact O-CB 3.45Å; D90-R94 VanDerWaalsContact O-CG 3.28Å; D90-R94 WeakPolarHBondContact O-CG 3.38Å; D90-R94 PolarHBondContact O-N 3.04Å; D90-R94 WeakPolarHBondContact OD2-CD 3.34Å; E91-R94 PolarHBondContact O-N 3.04Å; K92-R94 PolarHBondContact O-N 3.29Å; R94-K96 PolarHBondContact O-N 3.31Å; R94-L97 PolarHBondContact O-N 2.98Å; R94-L97 VanDerWaalsContact O-N 3.12Å; R94-M98 PolarHBondContact O-N 3.28Å
95	S	94.5	Very high	84.3	Confident	62 Å²	62	75.3 Å²	75.3	43%	0.434	41%	0.406	S	S	.	.	H	α-helix	trans	-63.4	-30.6	176.3	79.8	0	0	0	0	112.5	E91 K92 Q93 M98 P99	E91-S95 WeakPolarHBondContact O-CB 3.42Å; E91-S95 PolarHBondContact O-N 3.41Å; K92-S95 PolarHBondContact O-N 3.47Å; K92-S95 PolarHBondContact O-OG 3.41Å; Q93-S95 VanDerWaalsContact C-N 3.33Å; Q93-S95 PolarHBondContact O-N 2.9Å; S95-M98 CarbonylContact O-C 3.57Å; S95-P99 VanDerWaalsContact O-CA 3.27Å; S95-P99 WeakPolarHBondContact O-CA 3.41Å
96	K	94.1	Very high	81.7	Confident	45 Å²	45	76.8 Å²	76.8	20%	0.196	43%	0.427	C	S	.	.	H	α-helix	trans	-70.3	-39.6	172.8	-64.5	-64.5	-166.1	165.6	0	111.9	L15 I18 E22 W41 I49 K92 Q93 R94	L15-K96 HydrophobicContact CD2-CG 4.3Å; I18-K96 HydrophobicContact CD1-CB 4.28Å; I18-K96 HydrophobicContact CG2-CB 4.12Å; I18-K96 HydrophobicContact CG2-CD 4.3Å; I18-K96 HydrophobicContact CG2-CG 4.2Å; E22-K96 VanDerWaalsContact OE1-CD 3.27Å; E22-K96 WeakPolarHBondContact OE1-CD 3.22Å; E22-K96 IonicContact OE1-NZ 3.98Å; E22-K96 PolarHBondContact OE1-NZ 3.48Å; E22-K96 IonicContact OE2-NZ 2.65Å; E22-K96 PolarHBondContact OE2-NZ 2.99Å; W41-K96 WeakPolarHBondContact CZ2-O 2.85Å; I49-K96 WeakPolarHBondContact CD1-O 3.48Å; K92-K96 WeakPolarHBondContact O-CG 3.48Å; K92-K96 PolarHBondContact O-N 2.97Å; Q93-K96 WeakPolarHBondContact O-CB 3.43Å; Q93-K96 PolarHBondContact O-N 3.4Å; R94-K96 PolarHBondContact O-N 3.31Å
97	L	91.6	Very high	79	Confident	16 Å²	16	80.1 Å²	80.1	8%	0.084	45%	0.454	C	S	.	.	H	α-helix	trans	-73.4	-39.7	178.6	-72.7	166.2	0	0	0	112.5	W41 Y46 I49 M50 K53 Q93 R94	W41-L97 PolarHBondContact NE1-O 3.36Å; Y46-L97 HydrophobicContact CD2-CD2 4.12Å; Y46-L97 HydrophobicContact CE2-CB 4.24Å; Y46-L97 HydrophobicContact CE2-CD2 3.83Å; I49-L97 HydrophobicContact CB-CD2 4.18Å; I49-L97 HydrophobicContact CG2-CD2 3.51Å; I49-L97 HydrophobicContact CG2-CG 4.12Å; M50-L97 HydrophobicContact CE-CD1 4.37Å; M50-L97 HydrophobicContact CE-CD2 3.75Å; K53-L97 HydrophobicContact CD-CD1 4.48Å; Q93-L97 PolarHBondContact O-N 2.94Å; R94-L97 PolarHBondContact O-N 2.98Å; R94-L97 VanDerWaalsContact O-N 3.12Å
98	M	88.8	Confident	76.4	Confident	109 Å²	109	83.2 Å²	83.2	54%	0.537	47%	0.474	S	S	.	.	S	Bend	trans	-131.4	86.3	-178.5	-66	-169.3	-65.1	0	0	109.6	R94 S95	R94-M98 PolarHBondContact O-N 3.28Å; S95-M98 CarbonylContact O-C 3.57Å
99	P	86.4	Confident	73.9	Confident	31 Å²	31	83.8 Å²	83.8	20%	0.201	48%	0.482	C	S	.	.			trans	-70.1	150.3	-178.7	30.7	-37.1	0	0	0	110.9	M38 W41 S95 M101	M38-P99 WeakPolarHBondContact CE-O 3.47Å; W41-P99 HydrophobicContact CD2-CG 3.73Å; W41-P99 VanDerWaalsContact CE2-CG 3.49Å; W41-P99 HydrophobicContact CE3-CG 3.98Å; W41-P99 HydrophobicContact CG-CG 4.36Å; W41-P99 HydrophobicContact CH2-CB 4.47Å; W41-P99 HydrophobicContact CH2-CG 3.75Å; W41-P99 HydrophobicContact CZ2-CB 4.43Å; W41-P99 VanDerWaalsContact CZ2-CD 3.48Å; W41-P99 HydrophobicContact CZ2-CG 3.52Å; W41-P99 HydrophobicContact CZ3-CG 3.98Å; W41-P99 VanDerWaalsContact NE1-CD 3.29Å; S95-P99 VanDerWaalsContact O-CA 3.27Å; S95-P99 WeakPolarHBondContact O-CA 3.41Å; P99-M101 HydrophobicContact CG-CE 3.86Å; P99-M101 HydrophobicContact CG-CG 4.23Å; P99-M101 PolarHBondContact O-N 2.82Å
100	A	81.1	Confident	71.3	Confident	105 Å²	105	91.1 Å²	91.1	87%	0.868	52%	0.515	S	S	*	.			trans	-64.3	105.5	166.9	0	0	0	0	0	108.7
101	M	72	Confident	69.1	Low	43 Å²	43	94.7 Å²	94.7	21%	0.212	54%	0.538	C	S	.	.			trans	-92.9	120.1	175.2	-68.3	-161.6	160.7	0	0	109.1	M38 W41 P99 T103	M38-M101 VanDerWaalsContact CA-SD 3.52Å; M38-M101 HydrophobicContact CB-SD 4.09Å; M38-M101 HydrophobicContact CE-CB 4.36Å; M38-M101 HydrophobicContact CE-CG 3.8Å; M38-M101 HydrophobicContact CE-SD 4.05Å; M38-M101 PolarHBondContact N-SD 2.83Å; M38-M101 VanDerWaalsContact N-SD 3.35Å; M38-M101 HydrophobicContact SD-SD 4.45Å; W41-M101 HydrophobicContact CB-CE 3.44Å; W41-M101 VanDerWaalsContact CB-CE 3.44Å; W41-M101 HydrophobicContact CB-SD 4.26Å; W41-M101 HydrophobicContact CD2-CE 3.61Å; W41-M101 HydrophobicContact CE3-CE 3.35Å; W41-M101 HydrophobicContact CG-CE 3.67Å; W41-M101 HydrophobicContact CZ3-CE 4.24Å; P99-M101 HydrophobicContact CG-CE 3.86Å; P99-M101 HydrophobicContact CG-CG 4.23Å; P99-M101 PolarHBondContact O-N 2.82Å; M101-T103 VanDerWaalsContact C-N 3.3Å; M101-T103 PolarHBondContact O-N 2.75Å
102	N	61.2	Low	66.6	Low	136 Å²	136	94.4 Å²	94.4	73%	0.727	55%	0.547	S	S	*	.			trans	-65.3	97.4	167.1	-68.5	-15.1	0	0	0	107.1	S104	N102-S104 PolarHBondContact O-N 3.08Å
103	T	50.6	Low	64.3	Low	117 Å²	117	94.9 Å²	94.9	72%	0.718	56%	0.562	S	S	*	*			trans	-67.7	81.9	158.5	57.2	0	0	0	0	105.5	M101 P105	M101-T103 VanDerWaalsContact C-N 3.3Å; M101-T103 PolarHBondContact O-N 2.75Å; T103-P105 WeakPolarHBondContact O-CD 3.48Å
104	S	41.1	Very low	61.8	Low	88 Å²	88	107.6 Å²	107.6	62%	0.615	62%	0.622	S	S	*	*			trans	-55.7	116.4	162.8	-71.5	0	0	0	0	105.2	N102 S106	N102-S104 PolarHBondContact O-N 3.08Å; S104-S106 PolarHBondContact O-N 2.9Å
105	P	47.1	Very low	60.2	Low	113 Å²	113	105.9 Å²	105.9	73%	0.734	63%	0.626	S	S	*	*			trans	-63.5	114.2	163.4	15.9	-6.7	0	0	0	103.4	T103 A107	T103-P105 WeakPolarHBondContact O-CD 3.48Å; P105-A107 PolarHBondContact O-N 2.71Å
106	S	42.4	Very low	58.4	Low	125 Å²	125	108.2 Å²	108.2	87%	0.874	64%	0.636	S	S	*	*			trans	-63.8	72.6	157.7	-59.7	0	0	0	0	106.6	S104	S104-S106 PolarHBondContact O-N 2.9Å
107	A	40.6	Very low	56.4	Low	71 Å²	71	111.7 Å²	111.7	59%	0.587	66%	0.661	S	S	*	*			trans	-70.2	132.7	161.2	0	0	0	0	0	105.7	P105	P105-A107 PolarHBondContact O-N 2.71Å
108	N	43	Very low	54.4	Low	141 Å²	141	117.4 Å²	117.4	75%	0.754	70%	0.695	S	S	*	*			trans	82.3	79.9	170.6	-51.8	-12.7	0	0	0	115.6
109	D	45.1	Very low	52.2	Low	147 Å²	147	117.9 Å²	117.9	79%	0.786	70%	0.704	S	S	*	*				-138.3	68.5	122.2	-133.2	-12.9	0	0	0	110.1	T111	D109-T111 PolarHBondContact O-N 3.03Å; D109-T111 PolarHBondContact OD1-OG1 2.8Å
110	H	42.5	Very low	49.9	Very low	175 Å²	175	123.7 Å²	123.7	81%	0.81	74%	0.738	S	S	*	*			trans	-73.7	99	157.8	-84.8	71.5	0	0	0	107.1
111	T	50	Low	47.7	Very low	97 Å²	97	125 Å²	125	60%	0.595	73%	0.729	S	S	*	*			trans	-129.2	94.1	154.7	-27.7	0	0	0	0	108.7	D109 S113	D109-T111 PolarHBondContact O-N 3.03Å; D109-T111 PolarHBondContact OD1-OG1 2.8Å; T111-S113 VanDerWaalsContact C-N 3.33Å; T111-S113 PolarHBondContact O-N 3.46Å
112	P	43.1	Very low	45.8	Very low	122 Å²	122	131.3 Å²	131.3	79%	0.792	77%	0.769	S	S	*	*			trans	-70	98	164.9	21	-12.9	0	0	0	106.8
113	S	46.9	Very low	44.6	Very low	106 Å²	106	130.9 Å²	130.9	74%	0.741	77%	0.772	S	S	*	*			trans	-83.7	137.2	168.5	-64.5	0	0	0	0	108.7	T111	T111-S113 VanDerWaalsContact C-N 3.33Å; T111-S113 PolarHBondContact O-N 3.46Å
114	Q	42.3	Very low	44	Very low	269 Å²	269	132.2 Å²	132.2	100%	1.257	78%	0.777	S	S	*	*			trans	-57.6	0	-166.7	-62.9	-164.3	-37.6	0	0	116

Retrieved 114 of 114 residues in 62.3 ms (Link to these results)

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