A0A3Q0KUH4_SCHMA Loading...

Pinin

AlphaFold DB , UniProt , Accession A0A3Q0KUH4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 445 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	73.9	Confident	91.3	Very high	65 Å²	65	63.4 Å²	63.4	32%	0.32	32%	0.323	S	S	.	.				0	110.6	0	-124.9	166.9	-160.3	0	0	111.3	L189 F192 R244 L247 E248	M1-L189 HydrophobicContact CE-CD1 4.04Å; M1-L189 HydrophobicContact CG-CD1 3.87Å; M1-L189 HydrophobicContact SD-CD1 3.54Å; M1-L189 VanDerWaalsContact SD-CD1 3.54Å; M1-F192 HydrophobicContact SD-CD1 4.45Å; M1-R244 HydrophobicContact SD-CG 4.16Å; M1-L247 HydrophobicContact CE-CB 3.97Å; M1-E248 WeakPolarHBondContact CA-OE2 3.34Å; M1-E248 WeakPolarHBondContact CB-OE2 3.4Å; M1-E248 WeakPolarHBondContact CG-OE2 3.48Å; M1-E248 PolarHBondContact N-OE2 3.16Å
2	E	81.7	Confident	91.8	Very high	76 Å²	76	69.4 Å²	69.4	36%	0.355	35%	0.349	S	S	.	.			trans	-59.4	158.7	168.6	-70.4	135.7	-134.8	0	0	111.2	V6 K185 L189	E2-V6 HydrophobicContact CB-CB 4.4Å; E2-V6 HydrophobicContact CB-CG1 4.24Å; E2-V6 HydrophobicContact CG-CG1 4.17Å; E2-K185 IonicContact OE1-NZ 3.82Å; E2-K185 PolarHBondContact OE1-NZ 2.87Å; E2-K185 IonicContact OE2-NZ 3.71Å; E2-K185 PolarHBondContact OE2-NZ 3.07Å; E2-L189 VanDerWaalsContact O-CD2 3.29Å; E2-L189 WeakPolarHBondContact O-CD2 3.45Å
3	S	90.2	Very high	92.2	Very high	61 Å²	61	71.2 Å²	71.2	43%	0.427	36%	0.359	S	S	.	.			trans	-70.8	153.7	168.9	63.3	0	0	0	0	110.6	D5 V6 L7	S3-D5 PolarHBondContact O-N 3.12Å; S3-V6 PolarHBondContact O-N 3.34Å; S3-V6 VanDerWaalsContact OG-CG2 3.29Å; S3-V6 WeakPolarHBondContact OG-CG2 3.42Å; S3-V6 PolarHBondContact OG-N 2.91Å; S3-L7 PolarHBondContact O-N 2.64Å
4	I	92.3	Very high	92.4	Very high	14 Å²	14	66.4 Å²	66.4	7%	0.072	34%	0.336	C	S	.	.	H	α-helix	trans	-55.4	-36	176.8	-77.1	-173.1	0	0	0	111.9	L7 K8 L189 K190 E193	I4-L7 PolarHBondContact O-N 3.25Å; I4-K8 HydrophobicContact CG2-CD 4.1Å; I4-K8 VanDerWaalsContact CG2-CE 3.46Å; I4-K8 HydrophobicContact CG2-CG 4.26Å; I4-K8 WeakPolarHBondContact O-CG 3.29Å; I4-K8 PolarHBondContact O-N 3.06Å; I4-L189 HydrophobicContact CB-CD2 4.4Å; I4-L189 HydrophobicContact CD1-CG 4.19Å; I4-L189 HydrophobicContact CG1-CB 4.29Å; I4-L189 HydrophobicContact CG1-CD2 3.45Å; I4-L189 VanDerWaalsContact CG1-CD2 3.45Å; I4-L189 HydrophobicContact CG1-CG 3.58Å; I4-K190 HydrophobicContact CD1-CB 4.4Å; I4-K190 HydrophobicContact CD1-CG 3.71Å; I4-E193 HydrophobicContact CD1-CG 4.17Å; I4-E193 WeakPolarHBondContact CD1-OE1 3.49Å; I4-E193 WeakPolarHBondContact CD1-OE2 3.49Å; I4-E193 VanDerWaalsContact CG1-OE1 3.26Å; I4-E193 WeakPolarHBondContact CG1-OE1 3.37Å
5	D	94	Very high	92.7	Very high	97 Å²	97	68 Å²	68	52%	0.519	34%	0.34	S	S	.	.	H	α-helix	trans	-71.3	-35.8	-177.7	-60.4	-35	0	0	0	112.7	S3 L7 K8 K9	S3-D5 PolarHBondContact O-N 3.12Å; D5-L7 VanDerWaalsContact C-N 3.33Å; D5-K8 PolarHBondContact O-N 2.83Å; D5-K8 IonicContact OD1-NZ 3.8Å; D5-K8 PolarHBondContact OD1-NZ 3.12Å; D5-K8 VanDerWaalsContact OD1-NZ 3.16Å; D5-K9 WeakPolarHBondContact O-CG 3.46Å; D5-K9 PolarHBondContact O-N 2.91Å; D5-K9 VanDerWaalsContact O-N 3.13Å
6	V	94.6	Very high	92.9	Very high	61 Å²	61	70.7 Å²	70.7	37%	0.37	35%	0.351	S	S	.	.	H	α-helix	trans	-64.4	-43.3	170.8	171.3	0	0	0	0	109.9	E2 S3 K8 K9 N10	E2-V6 HydrophobicContact CB-CB 4.4Å; E2-V6 HydrophobicContact CB-CG1 4.24Å; E2-V6 HydrophobicContact CG-CG1 4.17Å; S3-V6 PolarHBondContact O-N 3.34Å; S3-V6 VanDerWaalsContact OG-CG2 3.29Å; S3-V6 WeakPolarHBondContact OG-CG2 3.42Å; S3-V6 PolarHBondContact OG-N 2.91Å; V6-K8 PolarHBondContact O-N 3.34Å; V6-K9 PolarHBondContact O-N 3.46Å; V6-N10 VanDerWaalsContact O-CG 3.28Å; V6-N10 PolarHBondContact O-N 3.36Å; V6-N10 PolarHBondContact O-OD1 3.05Å
7	L	94.1	Very high	93.1	Very high	0 Å²	0	71.1 Å²	71.1	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-67	-34.7	180	-173.8	54.2	0	0	0	113.1	S3 I4 D5 N10 L11 L182 K185 M186 L189	S3-L7 PolarHBondContact O-N 2.64Å; I4-L7 PolarHBondContact O-N 3.25Å; D5-L7 VanDerWaalsContact C-N 3.33Å; L7-N10 PolarHBondContact O-N 3.35Å; L7-L11 VanDerWaalsContact O-CB 3.29Å; L7-L11 WeakPolarHBondContact O-CB 3.5Å; L7-L11 PolarHBondContact O-N 3.03Å; L7-L182 HydrophobicContact CD1-CB 4.35Å; L7-L182 HydrophobicContact CD1-CD2 3.6Å; L7-K185 HydrophobicContact CD1-CB 4.34Å; L7-K185 HydrophobicContact CD1-CD 3.87Å; L7-K185 HydrophobicContact CD1-CG 4.42Å; L7-K185 HydrophobicContact CD2-CB 3.87Å; L7-K185 HydrophobicContact CD2-CD 4.03Å; L7-K185 HydrophobicContact CD2-CG 3.78Å; L7-M186 VanDerWaalsContact CD2-CA 3.47Å; L7-M186 HydrophobicContact CD2-CB 3.81Å; L7-M186 HydrophobicContact CD2-CG 4.47Å; L7-M186 HydrophobicContact CG-CB 4.19Å; L7-L189 HydrophobicContact CD2-CD2 4.2Å
8	K	95.1	Very high	93.2	Very high	91 Å²	91	68.3 Å²	68.3	40%	0.396	34%	0.338	S	S	.	.	H	α-helix	trans	-60.8	-48.4	170.9	-77.9	171.5	-174.1	160.3	0	111.4	I4 D5 V6 N10 L11 E12 M186	I4-K8 HydrophobicContact CG2-CD 4.1Å; I4-K8 VanDerWaalsContact CG2-CE 3.46Å; I4-K8 HydrophobicContact CG2-CG 4.26Å; I4-K8 WeakPolarHBondContact O-CG 3.29Å; I4-K8 PolarHBondContact O-N 3.06Å; D5-K8 PolarHBondContact O-N 2.83Å; D5-K8 IonicContact OD1-NZ 3.8Å; D5-K8 PolarHBondContact OD1-NZ 3.12Å; D5-K8 VanDerWaalsContact OD1-NZ 3.16Å; V6-K8 PolarHBondContact O-N 3.34Å; K8-N10 PolarHBondContact O-N 3.36Å; K8-L11 PolarHBondContact O-N 3.2Å; K8-E12 WeakPolarHBondContact O-CB 3.45Å; K8-E12 PolarHBondContact O-N 3.12Å; K8-M186 HydrophobicContact CD-CE 4.18Å; K8-M186 HydrophobicContact CG-CE 3.42Å; K8-M186 VanDerWaalsContact CG-CE 3.42Å; K8-M186 HydrophobicContact CG-SD 4.38Å
9	K	96.5	Very high	93.3	Very high	148 Å²	148	72.1 Å²	72.1	64%	0.643	35%	0.352	S	S	*	.	H	α-helix	trans	-60.7	-44.3	177.5	-71.3	177.1	-178.9	-177.6	0	111.6	D5 V6 L11 E12 L13	D5-K9 WeakPolarHBondContact O-CG 3.46Å; D5-K9 PolarHBondContact O-N 2.91Å; D5-K9 VanDerWaalsContact O-N 3.13Å; V6-K9 PolarHBondContact O-N 3.46Å; K9-L11 VanDerWaalsContact C-N 3.34Å; K9-L11 PolarHBondContact O-N 2.88Å; K9-E12 PolarHBondContact O-N 3.12Å; K9-L13 WeakPolarHBondContact O-CB 3.37Å; K9-L13 PolarHBondContact O-N 3.01Å
10	N	95.7	Very high	93.4	Very high	63 Å²	63	73 Å²	73	34%	0.337	36%	0.358	S	S	.	.	H	α-helix	trans	-62.9	-40.9	177.1	-68.3	-9.6	0	0	0	111.8	V6 L7 K8 L13 A14 L182	V6-N10 VanDerWaalsContact O-CG 3.28Å; V6-N10 PolarHBondContact O-N 3.36Å; V6-N10 PolarHBondContact O-OD1 3.05Å; L7-N10 PolarHBondContact O-N 3.35Å; K8-N10 PolarHBondContact O-N 3.36Å; N10-L13 PolarHBondContact O-N 3.49Å; N10-A14 WeakPolarHBondContact O-CB 3.38Å; N10-A14 PolarHBondContact O-N 3.21Å; N10-L182 HydrophobicContact CB-CD1 4.43Å; N10-L182 HydrophobicContact CB-CD2 4.45Å
11	L	96.2	Very high	93.5	Very high	21 Å²	21	70 Å²	70	11%	0.11	34%	0.344	C	S	.	.	H	α-helix	trans	-64.8	-41.9	176.4	-177.4	163.6	0	0	0	111.5	L7 K8 K9 A14 K15 L182 Q183 M186	L7-L11 VanDerWaalsContact O-CB 3.29Å; L7-L11 WeakPolarHBondContact O-CB 3.5Å; L7-L11 PolarHBondContact O-N 3.03Å; K8-L11 PolarHBondContact O-N 3.2Å; K9-L11 VanDerWaalsContact C-N 3.34Å; K9-L11 PolarHBondContact O-N 2.88Å; L11-A14 PolarHBondContact O-N 3.03Å; L11-K15 HydrophobicContact CD2-CD 3.66Å; L11-K15 HydrophobicContact CD2-CG 4.17Å; L11-K15 WeakPolarHBondContact O-CB 3.25Å; L11-K15 WeakPolarHBondContact O-CG 3.4Å; L11-K15 PolarHBondContact O-N 2.94Å; L11-L182 HydrophobicContact CB-CB 4.3Å; L11-Q183 HydrophobicContact CD1-CG 3.78Å; L11-Q183 HydrophobicContact CG-CG 4.49Å; L11-M186 HydrophobicContact CD1-SD 3.92Å
12	E	96.6	Very high	94.4	Very high	136 Å²	136	67.9 Å²	67.9	64%	0.636	33%	0.334	S	S	*	.	H	α-helix	trans	-63	-47.1	175.9	-174.7	169	-158.5	0	0	111.6	K8 K9 A14 K15 E16	K8-E12 WeakPolarHBondContact O-CB 3.45Å; K8-E12 PolarHBondContact O-N 3.12Å; K9-E12 PolarHBondContact O-N 3.12Å; E12-A14 PolarHBondContact O-N 3.25Å; E12-K15 WeakPolarHBondContact O-CB 3.37Å; E12-K15 PolarHBondContact O-N 3.05Å; E12-E16 PolarHBondContact O-N 2.92Å
13	L	97.1	Very high	95.1	Very high	93 Å²	93	68.8 Å²	68.8	49%	0.487	34%	0.341	S	S	.	.	H	α-helix	trans	-56.9	-47.6	174.2	-172.9	84.7	0	0	0	111.6	K9 N10 K15 E16 Q17	K9-L13 WeakPolarHBondContact O-CB 3.37Å; K9-L13 PolarHBondContact O-N 3.01Å; N10-L13 PolarHBondContact O-N 3.49Å; L13-K15 VanDerWaalsContact C-N 3.32Å; L13-K15 PolarHBondContact O-N 3.35Å; L13-E16 WeakPolarHBondContact O-CB 3.38Å; L13-E16 PolarHBondContact O-N 3.45Å; L13-E16 VanDerWaalsContact O-N 3.16Å; L13-Q17 WeakPolarHBondContact O-CG 3.46Å; L13-Q17 PolarHBondContact O-N 3.4Å
14	A	96.1	Very high	95.3	Very high	4 Å²	4	68.6 Å²	68.6	3%	0.033	34%	0.335	C	S	.	.	H	α-helix	trans	-64.4	-36.3	179.4	0	0	0	0	0	112.3	N10 L11 E12 L18 E178 V179 L182	N10-A14 WeakPolarHBondContact O-CB 3.38Å; N10-A14 PolarHBondContact O-N 3.21Å; L11-A14 PolarHBondContact O-N 3.03Å; E12-A14 PolarHBondContact O-N 3.25Å; A14-L18 WeakPolarHBondContact O-CB 3.43Å; A14-L18 PolarHBondContact O-N 2.87Å; A14-E178 HydrophobicContact CB-CG 4.39Å; A14-V179 HydrophobicContact CB-CG2 3.86Å; A14-L182 HydrophobicContact CB-CD1 3.75Å
15	K	96.6	Very high	95.3	Very high	90 Å²	90	68 Å²	68	39%	0.391	33%	0.332	S	S	.	.	H	α-helix	trans	-67.4	-37.5	172.9	-77.6	-177.1	175.4	-179.8	0	112.1	L11 E12 L13 L18 K19 V179	L11-K15 HydrophobicContact CD2-CD 3.66Å; L11-K15 HydrophobicContact CD2-CG 4.17Å; L11-K15 WeakPolarHBondContact O-CB 3.25Å; L11-K15 WeakPolarHBondContact O-CG 3.4Å; L11-K15 PolarHBondContact O-N 2.94Å; E12-K15 WeakPolarHBondContact O-CB 3.37Å; E12-K15 PolarHBondContact O-N 3.05Å; L13-K15 VanDerWaalsContact C-N 3.32Å; L13-K15 PolarHBondContact O-N 3.35Å; K15-L18 PolarHBondContact O-N 3.44Å; K15-K19 WeakPolarHBondContact O-CG 3.42Å; K15-K19 PolarHBondContact O-N 3.12Å; K15-K19 VanDerWaalsContact O-N 3.07Å; K15-V179 HydrophobicContact CG-CG1 4.18Å; K15-V179 HydrophobicContact CG-CG2 4.17Å
16	E	96.3	Very high	95.3	Very high	111 Å²	111	67.9 Å²	67.9	52%	0.519	33%	0.327	S	S	.	.	H	α-helix	trans	-65.8	-45.6	175.8	-174	175.7	-166.9	0	0	111.3	E12 L13 L18 K19 I20	E12-E16 PolarHBondContact O-N 2.92Å; L13-E16 WeakPolarHBondContact O-CB 3.38Å; L13-E16 PolarHBondContact O-N 3.45Å; L13-E16 VanDerWaalsContact O-N 3.16Å; E16-L18 VanDerWaalsContact C-N 3.28Å; E16-L18 PolarHBondContact O-N 3.5Å; E16-K19 WeakPolarHBondContact O-CB 3.46Å; E16-K19 PolarHBondContact O-N 3.31Å; E16-I20 WeakPolarHBondContact O-CG1 3.5Å; E16-I20 PolarHBondContact O-N 3.4Å
17	Q	95.6	Very high	95.2	Very high	77 Å²	77	74.9 Å²	74.9	36%	0.36	35%	0.347	S	S	.	.	H	α-helix	trans	-57.1	-42.7	173.3	-71	176.9	-21.3	0	0	111.9	L13 K19 I20 V21 H175	L13-Q17 WeakPolarHBondContact O-CG 3.46Å; L13-Q17 PolarHBondContact O-N 3.4Å; Q17-K19 VanDerWaalsContact C-N 3.31Å; Q17-K19 PolarHBondContact O-N 2.91Å; Q17-I20 WeakPolarHBondContact O-CB 3.44Å; Q17-I20 PolarHBondContact O-N 2.95Å; Q17-I20 VanDerWaalsContact O-N 3.17Å; Q17-V21 PolarHBondContact O-N 3.02Å; Q17-H175 PolarHBondContact OE1-CE1 3.04Å; Q17-H175 VanDerWaalsContact OE1-CE1 3.26Å
18	L	94.9	Very high	94.9	Very high	22 Å²	22	78.2 Å²	78.2	12%	0.115	36%	0.364	C	S	.	.	H	α-helix	trans	-61.1	-40.8	175.9	-179.4	58.6	0	0	0	112.2	A14 K15 E16 I20 V21 D22 R172 H175 H176	A14-L18 WeakPolarHBondContact O-CB 3.43Å; A14-L18 PolarHBondContact O-N 2.87Å; K15-L18 PolarHBondContact O-N 3.44Å; E16-L18 VanDerWaalsContact C-N 3.28Å; E16-L18 PolarHBondContact O-N 3.5Å; L18-I20 VanDerWaalsContact C-N 3.34Å; L18-I20 PolarHBondContact O-N 3.29Å; L18-V21 PolarHBondContact O-N 3.46Å; L18-D22 WeakPolarHBondContact O-CB 3.44Å; L18-D22 PolarHBondContact O-N 2.89Å; L18-R172 HydrophobicContact CD1-CG 3.91Å; L18-H175 HydrophobicContact CB-CB 4.14Å; L18-H175 HydrophobicContact CD1-CB 3.91Å; L18-H176 WeakPolarHBondContact CD1-CE1 3.38Å; L18-H176 VanDerWaalsContact CD1-ND1 3.29Å; L18-H176 WeakPolarHBondContact CD1-ND1 3.37Å
19	K	95.1	Very high	94.5	Very high	139 Å²	139	75.9 Å²	75.9	60%	0.604	36%	0.357	S	S	*	.	H	α-helix	trans	-63.6	-38.1	174.8	-70.5	171.9	-178.4	179.7	0	112.3	K15 E16 Q17 D22 N23	K15-K19 WeakPolarHBondContact O-CG 3.42Å; K15-K19 PolarHBondContact O-N 3.12Å; K15-K19 VanDerWaalsContact O-N 3.07Å; E16-K19 WeakPolarHBondContact O-CB 3.46Å; E16-K19 PolarHBondContact O-N 3.31Å; Q17-K19 VanDerWaalsContact C-N 3.31Å; Q17-K19 PolarHBondContact O-N 2.91Å; K19-D22 PolarHBondContact O-N 2.93Å; K19-N23 WeakPolarHBondContact O-CB 3.48Å; K19-N23 VanDerWaalsContact O-CG 3.29Å; K19-N23 PolarHBondContact O-N 3.39Å; K19-N23 PolarHBondContact O-ND2 3.32Å
20	I	95	Very high	94	Very high	90 Å²	90	72 Å²	72	46%	0.462	36%	0.36	S	S	.	.	H	α-helix	trans	-60.9	-50	175.9	-65.8	167.6	0	0	0	109.4	E16 Q17 L18 D22 N23 D24	E16-I20 WeakPolarHBondContact O-CG1 3.5Å; E16-I20 PolarHBondContact O-N 3.4Å; Q17-I20 WeakPolarHBondContact O-CB 3.44Å; Q17-I20 PolarHBondContact O-N 2.95Å; Q17-I20 VanDerWaalsContact O-N 3.17Å; L18-I20 VanDerWaalsContact C-N 3.34Å; L18-I20 PolarHBondContact O-N 3.29Å; I20-D22 VanDerWaalsContact C-N 3.34Å; I20-D22 PolarHBondContact O-N 3.23Å; I20-N23 WeakPolarHBondContact O-CB 3.33Å; I20-N23 PolarHBondContact O-N 3.5Å; I20-N23 VanDerWaalsContact O-N 3.16Å; I20-D24 PolarHBondContact O-N 2.92Å
21	V	94.8	Very high	93.5	Very high	11 Å²	11	78.1 Å²	78.1	7%	0.067	38%	0.378	C	S	.	.	H	α-helix	trans	-62.6	-40.5	177.9	175.6	0	0	0	0	112	Q17 L18 N23 D24 I25 L168 T171 R172	Q17-V21 PolarHBondContact O-N 3.02Å; L18-V21 PolarHBondContact O-N 3.46Å; V21-N23 VanDerWaalsContact C-N 3.31Å; V21-N23 PolarHBondContact O-N 3.04Å; V21-D24 PolarHBondContact O-N 2.88Å; V21-I25 HydrophobicContact CG1-CD1 3.9Å; V21-I25 HydrophobicContact CG1-CG1 4.45Å; V21-I25 VanDerWaalsContact O-CG1 3.32Å; V21-I25 WeakPolarHBondContact O-CG1 3.21Å; V21-I25 PolarHBondContact O-N 3.23Å; V21-L168 WeakPolarHBondContact CG1-O 3.41Å; V21-T171 HydrophobicContact CG2-CG2 3.97Å; V21-R172 HydrophobicContact CG1-CB 3.77Å
22	D	94.7	Very high	93	Very high	21 Å²	21	80.1 Å²	80.1	11%	0.112	39%	0.389	C	S	.	.	H	α-helix	trans	-63.3	-37.6	176.5	-77.6	-18.4	0	0	0	112	L18 K19 I20 K26 P33 R172	L18-D22 WeakPolarHBondContact O-CB 3.44Å; L18-D22 PolarHBondContact O-N 2.89Å; K19-D22 PolarHBondContact O-N 2.93Å; I20-D22 VanDerWaalsContact C-N 3.34Å; I20-D22 PolarHBondContact O-N 3.23Å; D22-K26 VanDerWaalsContact O-CB 3.29Å; D22-K26 WeakPolarHBondContact O-CB 3.43Å; D22-K26 PolarHBondContact O-N 3.06Å; D22-P33 HydrophobicContact CB-CG 3.71Å; D22-P33 WeakPolarHBondContact OD1-CG 3.38Å; D22-R172 WeakPolarHBondContact OD1-CD 3.36Å; D22-R172 IonicContact OD1-CZ 3.8Å; D22-R172 IonicContact OD1-NE 3.19Å; D22-R172 PolarHBondContact OD1-NE 3.17Å; D22-R172 IonicContact OD1-NH2 2.83Å
23	N	95.1	Very high	92.4	Very high	94 Å²	94	75 Å²	75	50%	0.503	37%	0.367	S	S	.	.	H	α-helix	trans	-65.7	-41.1	173.6	-75	-40.1	0	0	0	112	K19 I20 V21 K26 R27	K19-N23 WeakPolarHBondContact O-CB 3.48Å; K19-N23 VanDerWaalsContact O-CG 3.29Å; K19-N23 PolarHBondContact O-N 3.39Å; K19-N23 PolarHBondContact O-ND2 3.32Å; I20-N23 WeakPolarHBondContact O-CB 3.33Å; I20-N23 PolarHBondContact O-N 3.5Å; I20-N23 VanDerWaalsContact O-N 3.16Å; V21-N23 VanDerWaalsContact C-N 3.31Å; V21-N23 PolarHBondContact O-N 3.04Å; N23-K26 WeakPolarHBondContact O-CB 3.37Å; N23-K26 PolarHBondContact O-N 2.97Å; N23-R27 WeakPolarHBondContact O-CG 3.39Å; N23-R27 PolarHBondContact O-N 3.13Å
24	D	94.7	Very high	91.7	Very high	57 Å²	57	73.9 Å²	73.9	31%	0.305	37%	0.368	S	S	.	.	H	α-helix	trans	-65.5	-42.2	176.9	-70.5	-25.1	0	0	0	111.5	I20 V21 K26 R27 I28 L168	I20-D24 PolarHBondContact O-N 2.92Å; V21-D24 PolarHBondContact O-N 2.88Å; D24-K26 VanDerWaalsContact C-N 3.3Å; D24-K26 PolarHBondContact O-N 3.31Å; D24-R27 WeakPolarHBondContact O-CB 3.48Å; D24-R27 PolarHBondContact O-N 2.94Å; D24-I28 WeakPolarHBondContact O-CG1 3.19Å; D24-I28 PolarHBondContact O-N 3.15Å; D24-L168 HydrophobicContact CB-CD1 3.99Å; D24-L168 HydrophobicContact CB-CD2 3.88Å
25	I	92.7	Very high	90.8	Very high	1 Å²	1	78 Å²	78	1%	0.005	39%	0.389	C	S	.	.	H	α-helix	trans	-60.9	-43.4	173	-67.8	166	0	0	0	110.2	V21 R27 I28 T29 P33 L168 F169 R172	V21-I25 HydrophobicContact CG1-CD1 3.9Å; V21-I25 HydrophobicContact CG1-CG1 4.45Å; V21-I25 VanDerWaalsContact O-CG1 3.32Å; V21-I25 WeakPolarHBondContact O-CG1 3.21Å; V21-I25 PolarHBondContact O-N 3.23Å; I25-R27 VanDerWaalsContact C-N 3.3Å; I25-R27 PolarHBondContact O-N 3.36Å; I25-I28 PolarHBondContact O-N 3.48Å; I25-T29 HydrophobicContact CG2-CG2 3.94Å; I25-T29 WeakPolarHBondContact O-CB 3.41Å; I25-T29 WeakPolarHBondContact O-CG2 3.07Å; I25-T29 PolarHBondContact O-N 2.98Å; I25-T29 PolarHBondContact O-OG1 3.14Å; I25-P33 HydrophobicContact CB-CB 4.48Å; I25-P33 HydrophobicContact CB-CG 4.18Å; I25-P33 HydrophobicContact CD1-CB 4.48Å; I25-P33 HydrophobicContact CD1-CG 4.47Å; I25-P33 HydrophobicContact CG2-CB 3.88Å; I25-P33 HydrophobicContact CG2-CG 4.06Å; I25-L168 HydrophobicContact CD1-CB 4.23Å; I25-L168 HydrophobicContact CG1-CB 3.64Å; I25-L168 HydrophobicContact CG1-CD1 4.06Å; I25-L168 HydrophobicContact CG1-CG 4.42Å; I25-F169 HydrophobicContact CD1-CD1 4.23Å; I25-F169 HydrophobicContact CD1-CE1 4.26Å; I25-F169 HydrophobicContact CG2-CE1 4.05Å; I25-F169 HydrophobicContact CG2-CE2 4.04Å; I25-F169 HydrophobicContact CG2-CZ 3.53Å; I25-R172 HydrophobicContact CD1-CB 3.91Å; I25-R172 HydrophobicContact CD1-CG 4.21Å
26	K	93.5	Very high	88.9	Confident	96 Å²	96	83.3 Å²	83.3	42%	0.417	41%	0.406	S	S	.	.	H	α-helix	trans	-61.8	-38.1	177.1	-175.7	175.6	-177	168.4	0	112.4	D22 N23 D24 G30 R31 D32	D22-K26 VanDerWaalsContact O-CB 3.29Å; D22-K26 WeakPolarHBondContact O-CB 3.43Å; D22-K26 PolarHBondContact O-N 3.06Å; N23-K26 WeakPolarHBondContact O-CB 3.37Å; N23-K26 PolarHBondContact O-N 2.97Å; D24-K26 VanDerWaalsContact C-N 3.3Å; D24-K26 PolarHBondContact O-N 3.31Å; K26-G30 WeakPolarHBondContact O-CA 3.49Å; K26-G30 PolarHBondContact O-N 3.31Å; K26-R31 VanDerWaalsContact CA-O 3.29Å; K26-R31 WeakPolarHBondContact CA-O 3.22Å; K26-D32 HydrophobicContact CD-CB 4.49Å; K26-D32 IonicContact NZ-OD2 3.67Å
27	R	93.2	Very high	86.9	Confident	207 Å²	207	87.2 Å²	87.2	78%	0.781	42%	0.417	S	S	*	.	H	α-helix	trans	-65.6	-42.1	175.5	-74.2	179.1	66.8	-170.6	-0.3	112.6	N23 D24 I25	N23-R27 WeakPolarHBondContact O-CG 3.39Å; N23-R27 PolarHBondContact O-N 3.13Å; D24-R27 WeakPolarHBondContact O-CB 3.48Å; D24-R27 PolarHBondContact O-N 2.94Å; I25-R27 VanDerWaalsContact C-N 3.3Å; I25-R27 PolarHBondContact O-N 3.36Å
28	I	87.5	Confident	84.8	Confident	71 Å²	71	89.4 Å²	89.4	36%	0.364	43%	0.429	S	S	.	.	H	α-helix	trans	-81.1	-38.3	-177.1	-63	-173.2	0	0	0	112.1	D24 I25 R165 L168	D24-I28 WeakPolarHBondContact O-CG1 3.19Å; D24-I28 PolarHBondContact O-N 3.15Å; I25-I28 PolarHBondContact O-N 3.48Å; I28-R165 HydrophobicContact CG2-CB 4.42Å; I28-L168 HydrophobicContact CD1-CD1 3.54Å; I28-L168 HydrophobicContact CG1-CD1 4.32Å
29	T	86.6	Confident	82.7	Confident	41 Å²	41	90.6 Å²	90.6	25%	0.252	45%	0.447	S	S	.	.	H	α-helix	trans	-94.7	-14	-175	67	0	0	0	0	113.7	I25 R31 R165 F169	I25-T29 HydrophobicContact CG2-CG2 3.94Å; I25-T29 WeakPolarHBondContact O-CB 3.41Å; I25-T29 WeakPolarHBondContact O-CG2 3.07Å; I25-T29 PolarHBondContact O-N 2.98Å; I25-T29 PolarHBondContact O-OG1 3.14Å; T29-R31 PolarHBondContact O-N 3.42Å; T29-R31 PolarHBondContact OG1-N 2.9Å; T29-R31 PolarHBondContact OG1-O 3.3Å; T29-R31 VanDerWaalsContact OG1-O 3.11Å; T29-R165 HydrophobicContact CG2-CG 4.31Å; T29-F169 HydrophobicContact CG2-CE2 4.19Å; T29-F169 HydrophobicContact CG2-CZ 4.36Å
30	G	86.8	Confident	80.6	Confident	68 Å²	68	88.9 Å²	88.9	70%	0.701	44%	0.441	S	S	*	.	S	Bend	trans	67.1	7.2	-171.4	0	0	0	0	0	113.9	K26	K26-G30 WeakPolarHBondContact O-CA 3.49Å; K26-G30 PolarHBondContact O-N 3.31Å
31	R	85.2	Confident	78.5	Confident	191 Å²	191	87.8 Å²	87.8	72%	0.721	45%	0.446	S	S	*	.	S	Bend	trans	-127.9	141.1	-176.1	-65.8	-177	-178.9	169	2.3	110.5	K26 T29 P33	K26-R31 VanDerWaalsContact CA-O 3.29Å; K26-R31 WeakPolarHBondContact CA-O 3.22Å; T29-R31 PolarHBondContact O-N 3.42Å; T29-R31 PolarHBondContact OG1-N 2.9Å; T29-R31 PolarHBondContact OG1-O 3.3Å; T29-R31 VanDerWaalsContact OG1-O 3.11Å; R31-P33 WeakPolarHBondContact O-CD 3.3Å
32	D	84.9	Confident	76.4	Confident	63 Å²	63	91.2 Å²	91.2	34%	0.337	46%	0.463	S	S	.	.			trans	-71.6	122.5	172.8	-163.2	-47.7	0	0	0	109	K26 S34 D35	K26-D32 HydrophobicContact CD-CB 4.49Å; K26-D32 IonicContact NZ-OD2 3.67Å; D32-S34 PolarHBondContact O-N 2.98Å; D32-S34 VanDerWaalsContact O-N 3.12Å; D32-S34 WeakPolarHBondContact OD1-CB 3.46Å; D32-S34 PolarHBondContact OD1-N 3.44Å; D32-D35 HydrophobicContact CB-CB 4.07Å; D32-D35 PolarHBondContact O-N 3.33Å
33	P	84.6	Confident	74.5	Confident	27 Å²	27	92.2 Å²	92.2	18%	0.175	47%	0.472	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-12.2	-178.6	30.1	-37.7	0	0	0	113.3	D22 I25 R31 R172	D22-P33 HydrophobicContact CB-CG 3.71Å; D22-P33 WeakPolarHBondContact OD1-CG 3.38Å; I25-P33 HydrophobicContact CB-CB 4.48Å; I25-P33 HydrophobicContact CB-CG 4.18Å; I25-P33 HydrophobicContact CD1-CB 4.48Å; I25-P33 HydrophobicContact CD1-CG 4.47Å; I25-P33 HydrophobicContact CG2-CB 3.88Å; I25-P33 HydrophobicContact CG2-CG 4.06Å; R31-P33 WeakPolarHBondContact O-CD 3.3Å; P33-R172 PolarHBondContact O-NH2 2.92Å
34	S	81.4	Confident	72.6	Confident	71 Å²	71	95.1 Å²	95.1	50%	0.497	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-19.7	172.6	-60	0	0	0	0	113.1	D32 R36	D32-S34 PolarHBondContact O-N 2.98Å; D32-S34 VanDerWaalsContact O-N 3.12Å; D32-S34 WeakPolarHBondContact OD1-CB 3.46Å; D32-S34 PolarHBondContact OD1-N 3.44Å; S34-R36 PolarHBondContact O-N 2.91Å
35	D	77	Confident	70.6	Confident	90 Å²	90	100.4 Å²	100.4	48%	0.481	50%	0.496	S	S	.	.			trans	-80.1	91.7	-179	-160.3	11.9	0	0	0	110.1	D32 R37	D32-D35 HydrophobicContact CB-CB 4.07Å; D32-D35 PolarHBondContact O-N 3.33Å; D35-R37 PolarHBondContact O-N 2.91Å; D35-R37 WeakPolarHBondContact OD1-CG 3.48Å; D35-R37 IonicContact OD1-CZ 2.86Å; D35-R37 IonicContact OD1-NE 3.4Å; D35-R37 PolarHBondContact OD1-NE 3.16Å
36	R	58.4	Low	68.9	Low	201 Å²	201	105 Å²	105	76%	0.758	52%	0.52	S	S	*	.			trans	-68	20.8	178.6	-75	-175.9	162.1	179.7	-3	114.1	S34	S34-R36 PolarHBondContact O-N 2.91Å
37	R	53.3	Low	67	Low	194 Å²	194	109.4 Å²	109.4	73%	0.732	53%	0.534	S	S	*	.			trans	-101.5	122.9	-169.5	-70.2	-172.1	-117.8	-153.4	-6.7	112.5	D35	D35-R37 PolarHBondContact O-N 2.91Å; D35-R37 WeakPolarHBondContact OD1-CG 3.48Å; D35-R37 IonicContact OD1-CZ 2.86Å; D35-R37 IonicContact OD1-NE 3.4Å; D35-R37 PolarHBondContact OD1-NE 3.16Å
38	I	51.7	Low	65.1	Low	122 Å²	122	102.9 Å²	102.9	63%	0.626	52%	0.524	S	S	*	.	S	Bend	trans	96.9	0.5	154.2	-49.3	146.9	0	0	0	117.8
39	G	49.8	Very low	63.4	Low	47 Å²	47	108.8 Å²	108.8	49%	0.485	54%	0.542	S	S	.	.	H	α-helix	trans	-75.5	-43.3	170.7	0	0	0	0	0	114.5	S43	G39-S43 WeakPolarHBondContact O-CB 3.36Å; G39-S43 PolarHBondContact O-N 2.87Å; G39-S43 VanDerWaalsContact O-N 3.15Å; G39-S43 PolarHBondContact O-OG 3.35Å
40	E	51.4	Low	62	Low	103 Å²	103	113.5 Å²	113.5	48%	0.481	56%	0.564	S	S	.	*	H	α-helix	trans	-80.1	-30.3	-176.4	-73.6	-174.7	129.7	0	0	113.6	N42 S43 K44 T356	E40-N42 VanDerWaalsContact C-N 3.33Å; E40-N42 PolarHBondContact O-N 2.65Å; E40-S43 PolarHBondContact O-N 3.37Å; E40-K44 WeakPolarHBondContact O-CG 3.43Å; E40-K44 PolarHBondContact O-N 3.34Å; E40-K44 VanDerWaalsContact O-N 3.1Å; E40-T356 VanDerWaalsContact CD-CG2 3.5Å; E40-T356 HydrophobicContact CG-CG2 3.72Å; E40-T356 WeakPolarHBondContact OE1-CG2 3.07Å
41	A	50.3	Low	60.5	Low	68 Å²	68	114.4 Å²	114.4	56%	0.562	57%	0.565	S	S	*	*	H	α-helix	trans	-66.1	-37.6	178.4	0	0	0	0	0	111.5	R45	A41-R45 PolarHBondContact O-N 2.82Å
42	N	51.3	Low	58.5	Low	82 Å²	82	107.8 Å²	107.8	44%	0.439	56%	0.556	S	S	.	*	H	α-helix	trans	-82	-32.6	175.6	-85.2	-20.1	0	0	0	113.1	E40 K44 R45 I46	E40-N42 VanDerWaalsContact C-N 3.33Å; E40-N42 PolarHBondContact O-N 2.65Å; N42-K44 VanDerWaalsContact C-N 3.34Å; N42-K44 PolarHBondContact O-N 3.43Å; N42-R45 PolarHBondContact O-N 3.35Å; N42-R45 VanDerWaalsContact O-N 3.12Å; N42-I46 VanDerWaalsContact O-CG1 3.3Å; N42-I46 WeakPolarHBondContact O-CG1 3.43Å; N42-I46 PolarHBondContact O-N 3.49Å
43	S	55.3	Low	56.6	Low	43 Å²	43	110.4 Å²	110.4	30%	0.301	57%	0.574	S	S	.	*	H	α-helix	trans	-65.7	-34.6	175.7	-70.2	0	0	0	0	112.9	G39 E40 R47	G39-S43 WeakPolarHBondContact O-CB 3.36Å; G39-S43 PolarHBondContact O-N 2.87Å; G39-S43 VanDerWaalsContact O-N 3.15Å; G39-S43 PolarHBondContact O-OG 3.35Å; E40-S43 PolarHBondContact O-N 3.37Å; S43-R47 VanDerWaalsContact O-CB 3.22Å; S43-R47 WeakPolarHBondContact O-CB 3.4Å; S43-R47 PolarHBondContact O-N 2.92Å
44	K	56	Low	54.4	Low	155 Å²	155	116.1 Å²	116.1	67%	0.674	60%	0.603	S	S	*	*	H	α-helix	trans	-68.6	-34.6	171.4	-70.1	174.9	-176	174	0	112	E40 N42 A48	E40-K44 WeakPolarHBondContact O-CG 3.43Å; E40-K44 PolarHBondContact O-N 3.34Å; E40-K44 VanDerWaalsContact O-N 3.1Å; N42-K44 VanDerWaalsContact C-N 3.34Å; N42-K44 PolarHBondContact O-N 3.43Å; K44-A48 WeakPolarHBondContact O-CB 3.48Å; K44-A48 PolarHBondContact O-N 3.27Å; K44-A48 VanDerWaalsContact O-N 3.13Å
45	R	52.7	Low	52.9	Low	167 Å²	167	122.1 Å²	122.1	63%	0.63	62%	0.623	S	S	*	*	H	α-helix	trans	-74.8	-32.8	179.8	-142.6	173.8	-177.8	-171	-0.1	113.1	A41 N42	A41-R45 PolarHBondContact O-N 2.82Å; N42-R45 PolarHBondContact O-N 3.35Å; N42-R45 VanDerWaalsContact O-N 3.12Å
46	I	55.8	Low	51.3	Low	97 Å²	97	126 Å²	126	50%	0.497	64%	0.644	S	S	.	*	H	α-helix	trans	-79	-39.7	176	-64.8	166.9	0	0	0	110.5	N42 A48 R49 I50	N42-I46 VanDerWaalsContact O-CG1 3.3Å; N42-I46 WeakPolarHBondContact O-CG1 3.43Å; N42-I46 PolarHBondContact O-N 3.49Å; I46-A48 VanDerWaalsContact C-N 3.28Å; I46-A48 PolarHBondContact O-N 2.81Å; I46-R49 PolarHBondContact O-N 3.39Å; I46-I50 HydrophobicContact CG2-CD1 3.95Å; I46-I50 PolarHBondContact O-N 2.95Å
47	R	54.3	Low	50.8	Low	190 Å²	190	127.9 Å²	127.9	72%	0.717	65%	0.65	S	S	*	*	H	α-helix	trans	-67.3	-28.9	177	-149.3	178.9	-68.9	-150.6	1.1	112.5	S43 A51	S43-R47 VanDerWaalsContact O-CB 3.22Å; S43-R47 WeakPolarHBondContact O-CB 3.4Å; S43-R47 PolarHBondContact O-N 2.92Å; R47-A51 WeakPolarHBondContact O-CB 3.42Å; R47-A51 PolarHBondContact O-N 3.42Å
48	A	53.3	Low	50.3	Low	70 Å²	70	123.9 Å²	123.9	58%	0.579	65%	0.65	S	S	*	*	H	α-helix	trans	-70.6	-25.1	171.1	0	0	0	0	0	114	K44 I46	K44-A48 WeakPolarHBondContact O-CB 3.48Å; K44-A48 PolarHBondContact O-N 3.27Å; K44-A48 VanDerWaalsContact O-N 3.13Å; I46-A48 VanDerWaalsContact C-N 3.28Å; I46-A48 PolarHBondContact O-N 2.81Å
49	R	52.2	Low	49.9	Very low	194 Å²	194	125.8 Å²	125.8	73%	0.732	66%	0.661	S	S	*	*	H	α-helix	trans	-83.5	-24.2	177.2	-75.5	-177.2	-174.1	167.2	0.2	113.7	I46	I46-R49 PolarHBondContact O-N 3.39Å
50	I	57.3	Low	50	Low	140 Å²	140	128.4 Å²	128.4	72%	0.718	67%	0.672	S	S	*	*	H	α-helix	trans	-94.8	-22.7	-177.4	-60.3	171.4	0	0	0	111.6	I46	I46-I50 HydrophobicContact CG2-CD1 3.95Å; I46-I50 PolarHBondContact O-N 2.95Å
51	A	54.9	Low	49.8	Very low	87 Å²	87	128.5 Å²	128.5	72%	0.719	68%	0.684	S	S	*	*	S	Bend	trans	-95.7	5.9	177.3	0	0	0	0	0	114.6	R47	R47-A51 WeakPolarHBondContact O-CB 3.42Å; R47-A51 PolarHBondContact O-N 3.42Å
52	G	42.3	Very low	49.9	Very low	52 Å²	52	132.8 Å²	132.8	54%	0.536	70%	0.698	S	S	.	*			trans	-112.5	67.9	-174.1	0	0	0	0	0	112.9	N54	G52-N54 PolarHBondContact O-N 3.04Å
53	V	45.9	Very low	49.9	Very low	119 Å²	119	138.4 Å²	138.4	72%	0.721	72%	0.718	S	S	*	*			trans	-57.4	122.8	159.5	171.5	0	0	0	0	108.2
54	N	38.9	Very low	49.9	Very low	147 Å²	147	142 Å²	142	79%	0.786	74%	0.738	S	S	*	*			trans	40.3	83.8	154.5	-56.8	-18.3	0	0	0	116.5	G52	G52-N54 PolarHBondContact O-N 3.04Å
55	Q	49.5	Very low	49.5	Very low	196 Å²	196	142 Å²	142	92%	0.916	75%	0.745	S	S	*	*			trans	-125	97.7	147.3	-74.1	-163.6	55.1	0	0	109.3	R57	Q55-R57 PolarHBondContact O-N 3.11Å
56	L	43.8	Very low	49.6	Very low	173 Å²	173	140.5 Å²	140.5	91%	0.906	75%	0.75	S	S	*	*			trans	-44.3	125.3	160.1	-67.8	157.5	0	0	0	109.6
57	R	46.2	Very low	49.7	Very low	239 Å²	239	139.2 Å²	139.2	90%	0.902	75%	0.754	S	S	*	*			trans	-143.2	107.5	148.1	-162	176.1	167.4	134.8	0.1	108.3	Q55	Q55-R57 PolarHBondContact O-N 3.11Å
58	P	44.7	Very low	49.8	Very low	111 Å²	111	138.8 Å²	138.8	72%	0.721	76%	0.757	S	S	*	*			trans	-82.5	157.7	166.1	34.1	-27.6	0	0	0	108.9
59	D	42.5	Very low	49.7	Very low	161 Å²	161	142.8 Å²	142.8	86%	0.861	77%	0.767	S	S	*	*			trans	122.4	142.9	152.3	-152.7	12.3	0	0	0	115.1
60	S	51	Low	49.7	Very low	103 Å²	103	141.3 Å²	141.3	72%	0.72	77%	0.773	S	S	*	*			trans	88.4	77	-175	86.5	0	0	0	0	117.7
61	S	47.8	Very low	49.6	Very low	104 Å²	104	141.1 Å²	141.1	73%	0.727	77%	0.769	S	S	*	*				33.2	94.3	115.6	174.3	0	0	0	0	117
62	D	51.9	Low	49.3	Very low	159 Å²	159	144.5 Å²	144.5	85%	0.85	78%	0.775	S	S	*	*			trans	-141	119.7	140.5	-99.7	-31.1	0	0	0	109.4	V64	D62-V64 PolarHBondContact O-N 3.29Å
63	K	51.5	Low	50	Low	199 Å²	199	150.2 Å²	150.2	87%	0.865	79%	0.792	S	S	*	*			trans	-79	111.1	-178	-65.9	-176.7	175	-174.2	0	108.5
64	V	55	Low	50.3	Low	120 Å²	120	153.7 Å²	153.7	73%	0.727	80%	0.797	S	S	*	*			trans	-133.4	130.2	162.4	-101.5	0	0	0	0	107.6	D62 D66	D62-V64 PolarHBondContact O-N 3.29Å; V64-D66 PolarHBondContact O-N 3.27Å
65	D	48.7	Very low	51.2	Low	154 Å²	154	157.8 Å²	157.8	82%	0.824	80%	0.802	S	S	*	*			trans	-67.9	96.2	-163.4	-61	-63.4	0	0	0	113.3	A67	D65-A67 PolarHBondContact O-N 2.81Å; D65-A67 VanDerWaalsContact O-N 3.11Å
66	D	55.1	Low	51.2	Low	135 Å²	135	154.1 Å²	154.1	72%	0.722	79%	0.794	S	S	*	*	G	3₁₀ helix	trans	-74.6	12.3	174.7	-74.6	-34.7	0	0	0	114.4	V64 K68	V64-D66 PolarHBondContact O-N 3.27Å; D66-K68 VanDerWaalsContact C-N 3.27Å; D66-K68 PolarHBondContact O-N 3.4Å
67	A	56.9	Low	51.8	Low	71 Å²	71	153.6 Å²	153.6	59%	0.587	79%	0.791	S	S	*	*	G	3₁₀ helix	trans	-79.8	1.8	-178.2	0	0	0	0	0	114.8	D65	D65-A67 PolarHBondContact O-N 2.81Å; D65-A67 VanDerWaalsContact O-N 3.11Å
68	K	56.6	Low	52.2	Low	181 Å²	181	148.8 Å²	148.8	79%	0.787	78%	0.783	S	S	*	*	G	3₁₀ helix	trans	-120.6	-0	-174.8	-76.5	-166.5	174.8	-162	0	117	D66	D66-K68 VanDerWaalsContact C-N 3.27Å; D66-K68 PolarHBondContact O-N 3.4Å
69	I	51.1	Low	52.6	Low	154 Å²	154	149.8 Å²	149.8	79%	0.79	78%	0.782	S	S	*	*	S	Bend	trans	-106.4	-0.9	-178.7	-59.7	177.7	0	0	0	112.6
70	L	53.1	Low	53.3	Low	162 Å²	162	149 Å²	149	85%	0.848	78%	0.779	S	S	*	*	S	Bend	trans	-111.5	14.4	178.3	-85.3	162.5	0	0	0	114.9
71	Q	54.1	Low	53.7	Low	136 Å²	136	151.7 Å²	151.7	64%	0.636	78%	0.784	S	S	*	*	S	Bend	trans	-107.6	-3	-177	-68.7	-170.3	6	0	0	115.9
72	D	49.7	Very low	53.9	Low	158 Å²	158	156.8 Å²	156.8	85%	0.845	79%	0.787	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	14.4	-174.9	-74.4	-12.9	0	0	0	115.6
73	I	55.6	Low	54.1	Low	172 Å²	172	154.6 Å²	154.6	88%	0.882	78%	0.779	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.2	30	166.8	-47.4	175.6	0	0	0	110.7
74	K	52.8	Low	54.2	Low	192 Å²	192	150.5 Å²	150.5	84%	0.835	78%	0.775	S	S	*	*			trans	-104.1	86.9	166.7	-79.4	-173.2	177.5	-173.5	0	110.2
75	R	56.9	Low	54.2	Low	234 Å²	234	150.6 Å²	150.6	88%	0.883	78%	0.776	S	S	*	*			trans	-126	143.8	156.3	-77.9	-173.7	179.6	-127.1	0.7	108.4
76	P	51	Low	54.3	Low	118 Å²	118	148 Å²	148	77%	0.766	78%	0.776	S	S	*	*			trans	-81	128.6	-142.1	31.8	-32.7	0	0	0	111.2
77	I	55.8	Low	54.4	Low	162 Å²	162	146 Å²	146	83%	0.831	77%	0.773	S	S	*	*			trans	-92.2	118.5	160.8	-66.2	165.5	0	0	0	104.5	D79	I77-D79 PolarHBondContact O-N 3.48Å; I77-D79 VanDerWaalsContact O-N 3.16Å
78	D	54.3	Low	54.6	Low	138 Å²	138	147.5 Å²	147.5	74%	0.738	78%	0.779	S	S	*	*			trans	-45.8	115.8	-176.3	-64.2	-52.6	0	0	0	112.3	D80	D78-D80 PolarHBondContact O-N 3.49Å; D78-D80 VanDerWaalsContact O-N 3.14Å
79	D	52.1	Low	54.5	Low	132 Å²	132	145.5 Å²	145.5	71%	0.706	78%	0.782	S	S	*	*			trans	-81.9	35.3	176.9	-105.1	-35.9	0	0	0	111.7	I77	I77-D79 PolarHBondContact O-N 3.48Å; I77-D79 VanDerWaalsContact O-N 3.16Å
80	D	58.8	Low	54.9	Low	146 Å²	146	143.1 Å²	143.1	78%	0.781	77%	0.774	S	S	*	*			trans	-98	9.4	-175.8	-85.6	-6.5	0	0	0	114.7	D78	D78-D80 PolarHBondContact O-N 3.49Å; D78-D80 VanDerWaalsContact O-N 3.14Å
81	L	59	Low	54.9	Low	159 Å²	159	146.3 Å²	146.3	83%	0.832	78%	0.775	S	S	*	*			trans	-121	40.8	174.2	-132.4	75.6	0	0	0	113.9	V83	L81-V83 VanDerWaalsContact C-N 3.29Å; L81-V83 HydrophobicContact CG-CG2 4.48Å; L81-V83 PolarHBondContact O-N 3.45Å
82	R	52.7	Low	55.2	Low	211 Å²	211	145.4 Å²	145.4	80%	0.796	78%	0.778	S	S	*	*			trans	-82.7	72.2	159.1	-70.9	-178.6	156.9	-156.2	-6.3	110.3	S84	R82-S84 PolarHBondContact O-N 3.31Å
83	V	54.3	Low	55.3	Low	112 Å²	112	143.1 Å²	143.1	68%	0.679	77%	0.77	S	S	*	*			trans	-83.2	95.1	165.7	-165.4	0	0	0	0	107.9	L81 V85	L81-V83 VanDerWaalsContact C-N 3.29Å; L81-V83 HydrophobicContact CG-CG2 4.48Å; L81-V83 PolarHBondContact O-N 3.45Å; V83-V85 PolarHBondContact O-N 3.45Å
84	S	55.1	Low	55.4	Low	113 Å²	113	142 Å²	142	79%	0.79	77%	0.766	S	S	*	*			trans	-63.7	101.8	167.5	-80.3	0	0	0	0	109.5	R82 A86	R82-S84 PolarHBondContact O-N 3.31Å; S84-A86 PolarHBondContact O-N 3.49Å; S84-A86 VanDerWaalsContact O-N 3.12Å
85	V	54.6	Low	55.5	Low	122 Å²	122	139.2 Å²	139.2	74%	0.739	77%	0.765	S	S	*	*			trans	-78.4	91.7	166.6	-178.1	0	0	0	0	107.9	V83 S87	V83-V85 PolarHBondContact O-N 3.45Å; V85-S87 PolarHBondContact O-N 3.3Å
86	A	50.4	Low	55.8	Low	99 Å²	99	136.4 Å²	136.4	82%	0.818	76%	0.755	S	S	*	*			trans	-82.8	101.9	164.5	0	0	0	0	0	108.9	S84	S84-A86 PolarHBondContact O-N 3.49Å; S84-A86 VanDerWaalsContact O-N 3.12Å
87	S	57.7	Low	56.5	Low	95 Å²	95	133.2 Å²	133.2	66%	0.664	74%	0.735	S	S	*	*			trans	-157.1	103.4	158.7	51.3	0	0	0	0	112.2	V85 V89	V85-S87 PolarHBondContact O-N 3.3Å; S87-V89 PolarHBondContact O-N 2.74Å
88	S	61	Low	57	Low	102 Å²	102	136.3 Å²	136.3	71%	0.713	74%	0.736	S	S	*	*			trans	22.4	97.3	145.2	179.1	0	0	0	0	117.2	V90	S88-V90 VanDerWaalsContact C-N 3.34Å; S88-V90 PolarHBondContact O-N 3.07Å; S88-V90 WeakPolarHBondContact OG-CG2 3.41Å
89	V	55.1	Low	57.9	Low	139 Å²	139	136 Å²	136	84%	0.842	73%	0.73	S	S	*	*			trans	-65.9	93.3	160.1	176.4	0	0	0	0	108.5	S87	S87-V89 PolarHBondContact O-N 2.74Å
90	V	59.6	Low	58.7	Low	103 Å²	103	133.2 Å²	133.2	62%	0.624	72%	0.716	S	S	*	*			trans	-81.3	117.6	164.2	177.5	0	0	0	0	107.3	S88 V92	S88-V90 VanDerWaalsContact C-N 3.34Å; S88-V90 PolarHBondContact O-N 3.07Å; S88-V90 WeakPolarHBondContact OG-CG2 3.41Å; V90-V92 HydrophobicContact CG1-CG2 4.14Å; V90-V92 PolarHBondContact O-N 3.26Å
91	R	52.9	Low	59.1	Low	229 Å²	229	129 Å²	129	86%	0.864	70%	0.701	S	S	*	*			trans	-70.8	95.9	170.1	-61.8	-171.2	-168.3	156.8	2.9	108.2	T93	R91-T93 PolarHBondContact O-N 3.28Å
92	V	58.8	Low	59.6	Low	118 Å²	118	123.9 Å²	123.9	72%	0.715	68%	0.681	S	S	*	*			trans	-80.5	100.4	166.8	179.5	0	0	0	0	107.2	V90	V90-V92 HydrophobicContact CG1-CG2 4.14Å; V90-V92 PolarHBondContact O-N 3.26Å
93	T	52.9	Low	60.6	Low	110 Å²	110	120.8 Å²	120.8	68%	0.675	67%	0.674	S	S	*	*			trans	-60	143.9	159.9	48	0	0	0	0	109.1	R91	R91-T93 PolarHBondContact O-N 3.28Å
94	D	58.6	Low	61.2	Low	147 Å²	147	121.3 Å²	121.3	79%	0.786	67%	0.669	S	S	*	*			trans	80.3	73.7	175.4	-49	-20.9	0	0	0	116.1	R96	D94-R96 PolarHBondContact O-N 3.37Å; D94-R96 VanDerWaalsContact O-N 3.12Å
95	T	54.6	Low	62	Low	135 Å²	135	119.7 Å²	119.7	83%	0.828	65%	0.651	S	S	*	*			trans	-66.5	105.1	169.9	51.7	0	0	0	0	110.7	S97	T95-S97 PolarHBondContact O-N 3.13Å
96	R	61.4	Low	63.3	Low	175 Å²	175	120.8 Å²	120.8	66%	0.66	65%	0.646	S	S	*	*			trans	-49	130.6	156.2	-70.8	-175.4	178.7	-156.3	-1.1	108.3	D94 E104	D94-R96 PolarHBondContact O-N 3.37Å; D94-R96 VanDerWaalsContact O-N 3.12Å; R96-E104 IonicContact CZ-OE2 2.91Å; R96-E104 IonicContact NH1-OE1 3.16Å; R96-E104 PolarHBondContact NH1-OE1 2.86Å; R96-E104 IonicContact NH1-OE2 3.87Å; R96-E104 PolarHBondContact NH1-OE2 3.33Å
97	S	67	Low	64.8	Low	51 Å²	51	125.2 Å²	125.2	36%	0.357	65%	0.647	S	S	.	*			trans	-55.5	143	-179.6	177.1	0	0	0	0	110.3	T95 E99 D100 A101	T95-S97 PolarHBondContact O-N 3.13Å; S97-E99 PolarHBondContact O-N 3.12Å; S97-E99 PolarHBondContact OG-N 3.46Å; S97-D100 WeakPolarHBondContact O-CA 3.25Å; S97-D100 PolarHBondContact O-N 3.04Å; S97-A101 PolarHBondContact O-N 3.41Å
98	R	65.8	Low	66	Low	226 Å²	226	124.1 Å²	124.1	85%	0.853	64%	0.639	S	S	*	*	H	α-helix	trans	-51.4	-30	173.1	-176.3	177.2	177.6	171.9	-0.4	111.6	A102	R98-A102 WeakPolarHBondContact O-CB 3.17Å; R98-A102 PolarHBondContact O-N 2.86Å
99	E	72.9	Confident	67	Low	131 Å²	131	122.9 Å²	122.9	61%	0.612	62%	0.624	S	S	*	*	H	α-helix	trans	-70.7	-37.1	175.7	-63.3	173.2	178.2	0	0	112.6	S97 A102 K103	S97-E99 PolarHBondContact O-N 3.12Å; S97-E99 PolarHBondContact OG-N 3.46Å; E99-A102 PolarHBondContact O-N 2.8Å; E99-K103 VanDerWaalsContact O-CG 3.29Å; E99-K103 WeakPolarHBondContact O-CG 3.29Å; E99-K103 PolarHBondContact O-N 3.12Å
100	D	69.5	Low	68.4	Low	75 Å²	75	120.3 Å²	120.3	40%	0.401	60%	0.602	S	S	.	*	H	α-helix	trans	-74	-38.6	178.6	-66.3	-28	0	0	0	111.2	S97 A102 K103 E104	S97-D100 WeakPolarHBondContact O-CA 3.25Å; S97-D100 PolarHBondContact O-N 3.04Å; D100-A102 VanDerWaalsContact C-N 3.26Å; D100-A102 PolarHBondContact O-N 2.98Å; D100-K103 PolarHBondContact O-N 3.35Å; D100-K103 VanDerWaalsContact O-N 3.12Å; D100-K103 IonicContact OD1-NZ 2.96Å; D100-E104 WeakPolarHBondContact O-CB 3.34Å; D100-E104 PolarHBondContact O-N 3.22Å
101	A	67.6	Low	69.8	Low	56 Å²	56	118.9 Å²	118.9	46%	0.463	59%	0.588	S	S	.	*	H	α-helix	trans	-60.5	-35.7	170.7	0	0	0	0	0	112.3	S97 L105	S97-A101 PolarHBondContact O-N 3.41Å; A101-L105 PolarHBondContact O-N 3.14Å
102	A	69.1	Low	71.4	Confident	52 Å²	52	115.5 Å²	115.5	43%	0.43	58%	0.576	S	S	.	*	H	α-helix	trans	-73.9	-27.1	175.8	0	0	0	0	0	113.5	R98 E99 D100 K110	R98-A102 WeakPolarHBondContact O-CB 3.17Å; R98-A102 PolarHBondContact O-N 2.86Å; E99-A102 PolarHBondContact O-N 2.8Å; D100-A102 VanDerWaalsContact C-N 3.26Å; D100-A102 PolarHBondContact O-N 2.98Å; A102-K110 WeakPolarHBondContact O-CE 3.46Å; A102-K110 PolarHBondContact O-NZ 3.48Å
103	K	73.5	Confident	72.8	Confident	147 Å²	147	111.8 Å²	111.8	64%	0.639	56%	0.561	S	S	*	*	H	α-helix	trans	-77.9	-36.1	174.2	-72.1	169.1	-166.7	163.3	0	112.1	E99 D100 L105	E99-K103 VanDerWaalsContact O-CG 3.29Å; E99-K103 WeakPolarHBondContact O-CG 3.29Å; E99-K103 PolarHBondContact O-N 3.12Å; D100-K103 PolarHBondContact O-N 3.35Å; D100-K103 VanDerWaalsContact O-N 3.12Å; D100-K103 IonicContact OD1-NZ 2.96Å; K103-L105 VanDerWaalsContact C-N 3.29Å; K103-L105 PolarHBondContact O-N 3.14Å
104	E	68.1	Low	74.6	Confident	122 Å²	122	114.6 Å²	114.6	57%	0.57	56%	0.559	S	S	*	*	H	α-helix	trans	-76.9	-15.2	-179.2	-161.7	161.2	-162.4	0	0	113.4	R96 D100 K106	R96-E104 IonicContact CZ-OE2 2.91Å; R96-E104 IonicContact NH1-OE1 3.16Å; R96-E104 PolarHBondContact NH1-OE1 2.86Å; R96-E104 IonicContact NH1-OE2 3.87Å; R96-E104 PolarHBondContact NH1-OE2 3.33Å; D100-E104 WeakPolarHBondContact O-CB 3.34Å; D100-E104 PolarHBondContact O-N 3.22Å; E104-K106 PolarHBondContact O-N 3.02Å
105	L	71.8	Confident	76	Confident	80 Å²	80	115.2 Å²	115.2	42%	0.419	55%	0.551	S	S	.	*	S	Bend	trans	-64.8	118.2	176	-162.8	76.1	0	0	0	111.1	A101 K103 D109 K110	A101-L105 PolarHBondContact O-N 3.14Å; K103-L105 VanDerWaalsContact C-N 3.29Å; K103-L105 PolarHBondContact O-N 3.14Å; L105-D109 HydrophobicContact CD1-CB 3.88Å; L105-D109 HydrophobicContact CD2-CB 4.36Å; L105-D109 HydrophobicContact CG-CB 3.89Å; L105-K110 HydrophobicContact CD2-CG 3.65Å; L105-K110 HydrophobicContact CG-CG 4.25Å; L105-K110 WeakPolarHBondContact O-CE 3.4Å
106	K	80.4	Confident	77.7	Confident	145 Å²	145	114 Å²	114	63%	0.63	54%	0.537	S	S	*	.			trans	-56.4	147.4	-179.6	-66.9	179	-179.5	175.1	0	110.9	E104 S108 D109 K110	E104-K106 PolarHBondContact O-N 3.02Å; K106-S108 WeakPolarHBondContact CB-OG 3.35Å; K106-S108 PolarHBondContact O-N 3.14Å; K106-S108 VanDerWaalsContact O-N 3.12Å; K106-D109 PolarHBondContact O-N 3.4Å; K106-K110 PolarHBondContact O-N 3.39Å
107	K	83.4	Confident	79.1	Confident	191 Å²	191	110.3 Å²	110.3	83%	0.83	53%	0.53	S	S	*	.	H	α-helix	trans	-55.4	-31.4	175.7	-66.1	-178.7	-178.4	178	0	112	E111	K107-E111 WeakPolarHBondContact O-CB 3.11Å; K107-E111 PolarHBondContact O-N 2.84Å; K107-E111 VanDerWaalsContact O-N 3.12Å
108	S	81.9	Confident	80.3	Confident	72 Å²	72	109.8 Å²	109.8	50%	0.503	53%	0.532	S	S	.	.	H	α-helix	trans	-64.2	-38.8	175	55.4	0	0	0	0	113.8	K106 E111 R112	K106-S108 WeakPolarHBondContact CB-OG 3.35Å; K106-S108 PolarHBondContact O-N 3.14Å; K106-S108 VanDerWaalsContact O-N 3.12Å; S108-E111 PolarHBondContact O-N 3.08Å; S108-R112 PolarHBondContact O-N 3.33Å
109	D	82.1	Confident	81.5	Confident	76 Å²	76	104.7 Å²	104.7	41%	0.406	52%	0.521	S	S	.	.	H	α-helix	trans	-77	-35.7	-178.3	-66.5	-31.5	0	0	0	111.4	L105 K106 E111 R112 G113	L105-D109 HydrophobicContact CD1-CB 3.88Å; L105-D109 HydrophobicContact CD2-CB 4.36Å; L105-D109 HydrophobicContact CG-CB 3.89Å; K106-D109 PolarHBondContact O-N 3.4Å; D109-E111 VanDerWaalsContact C-N 3.27Å; D109-E111 PolarHBondContact O-N 2.98Å; D109-R112 PolarHBondContact O-N 3.23Å; D109-G113 PolarHBondContact O-N 3.44Å
110	K	85.6	Confident	82.5	Confident	85 Å²	85	104 Å²	104	37%	0.37	52%	0.521	S	S	.	.	H	α-helix	trans	-60.4	-39.9	169.8	-68.6	-179.5	-177.1	177.5	0	111.5	A102 L105 K106 R114	A102-K110 WeakPolarHBondContact O-CE 3.46Å; A102-K110 PolarHBondContact O-NZ 3.48Å; L105-K110 HydrophobicContact CD2-CG 3.65Å; L105-K110 HydrophobicContact CG-CG 4.25Å; L105-K110 WeakPolarHBondContact O-CE 3.4Å; K106-K110 PolarHBondContact O-N 3.39Å; K110-R114 PolarHBondContact O-N 2.84Å
111	E	87.5	Confident	83.6	Confident	73 Å²	73	105.8 Å²	105.8	34%	0.341	53%	0.527	S	S	.	.	H	α-helix	trans	-68.7	-44.2	176.7	178.6	54.9	-150.9	0	0	111.8	K107 S108 D109 G113 R114 R115	K107-E111 WeakPolarHBondContact O-CB 3.11Å; K107-E111 PolarHBondContact O-N 2.84Å; K107-E111 VanDerWaalsContact O-N 3.12Å; S108-E111 PolarHBondContact O-N 3.08Å; D109-E111 VanDerWaalsContact C-N 3.27Å; D109-E111 PolarHBondContact O-N 2.98Å; E111-G113 PolarHBondContact O-N 3.02Å; E111-R114 PolarHBondContact O-N 3.49Å; E111-R115 VanDerWaalsContact CG-NH2 3.26Å; E111-R115 WeakPolarHBondContact O-CG 3.48Å; E111-R115 PolarHBondContact O-N 3.46Å; E111-R115 IonicContact OE1-CZ 3.57Å; E111-R115 IonicContact OE1-NE 2.71Å; E111-R115 PolarHBondContact OE1-NE 3.26Å; E111-R115 IonicContact OE1-NH2 2.64Å; E111-R115 PolarHBondContact OE1-NH2 2.9Å
112	R	87.2	Confident	84.8	Confident	158 Å²	158	104.9 Å²	104.9	60%	0.596	52%	0.523	S	S	*	.	H	α-helix	trans	-59.7	-44.4	173.2	-176.6	176.2	178.3	-92	-2.2	112.4	S108 D109 R115 M116	S108-R112 PolarHBondContact O-N 3.33Å; D109-R112 PolarHBondContact O-N 3.23Å; R112-R115 PolarHBondContact O-N 3.43Å; R112-M116 HydrophobicContact CG-CG 4.49Å; R112-M116 VanDerWaalsContact O-CG 3.25Å; R112-M116 WeakPolarHBondContact O-CG 3.4Å; R112-M116 PolarHBondContact O-N 2.99Å
113	G	88.5	Confident	85.9	Confident	40 Å²	40	106.2 Å²	106.2	41%	0.412	53%	0.526	S	S	.	.	H	α-helix	trans	-62.3	-40.8	177	0	0	0	0	0	112.7	D109 E111 M116 L117	D109-G113 PolarHBondContact O-N 3.44Å; E111-G113 PolarHBondContact O-N 3.02Å; G113-M116 PolarHBondContact O-N 2.83Å; G113-L117 WeakPolarHBondContact O-CB 3.39Å; G113-L117 PolarHBondContact O-N 3.22Å
114	R	89.2	Confident	86.8	Confident	169 Å²	169	104.2 Å²	104.2	64%	0.638	52%	0.521	S	S	*	.	H	α-helix	trans	-62.5	-42.7	173.1	-83.9	-170.8	-91	-145.6	-0.7	112.7	K110 E111 G118	K110-R114 PolarHBondContact O-N 2.84Å; E111-R114 PolarHBondContact O-N 3.49Å; R114-G118 PolarHBondContact O-N 3.1Å
115	R	89.3	Confident	87.9	Confident	160 Å²	160	105.4 Å²	105.4	60%	0.604	53%	0.525	S	S	*	.	H	α-helix	trans	-62.9	-45.4	175.1	-66.7	179	-152.4	171.8	3.7	112	E111 R112 G118 I119	E111-R115 VanDerWaalsContact CG-NH2 3.26Å; E111-R115 WeakPolarHBondContact O-CG 3.48Å; E111-R115 PolarHBondContact O-N 3.46Å; E111-R115 IonicContact OE1-CZ 3.57Å; E111-R115 IonicContact OE1-NE 2.71Å; E111-R115 PolarHBondContact OE1-NE 3.26Å; E111-R115 IonicContact OE1-NH2 2.64Å; E111-R115 PolarHBondContact OE1-NH2 2.9Å; R112-R115 PolarHBondContact O-N 3.43Å; R115-G118 PolarHBondContact O-N 3.04Å; R115-I119 WeakPolarHBondContact O-CG1 3.49Å; R115-I119 PolarHBondContact O-N 3.15Å
116	M	90.8	Very high	88.7	Confident	110 Å²	110	107.1 Å²	107.1	54%	0.542	53%	0.531	S	S	.	.	H	α-helix	trans	-62.6	-45.9	178.5	-69	-106.2	-62.2	0	0	112	R112 G113 G118 I119 L120	R112-M116 HydrophobicContact CG-CG 4.49Å; R112-M116 VanDerWaalsContact O-CG 3.25Å; R112-M116 WeakPolarHBondContact O-CG 3.4Å; R112-M116 PolarHBondContact O-N 2.99Å; G113-M116 PolarHBondContact O-N 2.83Å; M116-G118 VanDerWaalsContact C-N 3.33Å; M116-G118 PolarHBondContact O-N 3.1Å; M116-I119 PolarHBondContact O-N 2.93Å; M116-L120 PolarHBondContact O-N 2.86Å; M116-L120 VanDerWaalsContact O-N 3.17Å
117	L	90	Very high	89.1	Confident	97 Å²	97	106.7 Å²	106.7	51%	0.508	53%	0.529	S	S	.	.	H	α-helix	trans	-66.2	-36.3	177	-176.7	62.9	0	0	0	111.9	G113 L120 Q121	G113-L117 WeakPolarHBondContact O-CB 3.39Å; G113-L117 PolarHBondContact O-N 3.22Å; L117-L120 PolarHBondContact O-N 3.47Å; L117-Q121 HydrophobicContact CD1-CG 4.43Å; L117-Q121 HydrophobicContact CG-CG 4.46Å; L117-Q121 WeakPolarHBondContact O-CB 3.46Å; L117-Q121 WeakPolarHBondContact O-CG 3.12Å; L117-Q121 PolarHBondContact O-N 2.94Å
118	G	92	Very high	89.4	Confident	40 Å²	40	103.3 Å²	103.3	41%	0.412	52%	0.516	S	S	.	.	H	α-helix	trans	-62	-42.7	175.3	0	0	0	0	0	112.8	R114 R115 M116 G122	R114-G118 PolarHBondContact O-N 3.1Å; R115-G118 PolarHBondContact O-N 3.04Å; M116-G118 VanDerWaalsContact C-N 3.33Å; M116-G118 PolarHBondContact O-N 3.1Å; G118-G122 PolarHBondContact O-N 2.84Å
119	I	91.6	Very high	89.6	Confident	119 Å²	119	102.7 Å²	102.7	61%	0.61	52%	0.515	S	S	*	.	H	α-helix	trans	-60.9	-47.5	174	-66.3	165.7	0	0	0	110.1	R115 M116 Q121 G122 T123	R115-I119 WeakPolarHBondContact O-CG1 3.49Å; R115-I119 PolarHBondContact O-N 3.15Å; M116-I119 PolarHBondContact O-N 2.93Å; I119-Q121 PolarHBondContact O-N 3.2Å; I119-G122 WeakPolarHBondContact O-CA 3.44Å; I119-G122 PolarHBondContact O-N 3.37Å; I119-G122 VanDerWaalsContact O-N 3.15Å; I119-T123 PolarHBondContact O-N 2.85Å; I119-T123 PolarHBondContact O-OG1 3.48Å; I119-T123 VanDerWaalsContact O-OG1 3.13Å
120	L	93.1	Very high	89.6	Confident	118 Å²	118	104 Å²	104	62%	0.618	52%	0.519	S	S	*	.	H	α-helix	trans	-64.8	-41.3	-178.5	-163.9	71.7	0	0	0	112.6	M116 L117 G122 T123 L124	M116-L120 PolarHBondContact O-N 2.86Å; M116-L120 VanDerWaalsContact O-N 3.17Å; L117-L120 PolarHBondContact O-N 3.47Å; L120-G122 VanDerWaalsContact C-N 3.32Å; L120-T123 PolarHBondContact O-N 2.82Å; L120-L124 PolarHBondContact O-N 3.09Å
121	Q	92.3	Very high	89.2	Confident	112 Å²	112	102.4 Å²	102.4	52%	0.523	52%	0.519	S	S	.	.	H	α-helix	trans	-65.2	-35.7	173.5	-75.8	-174.6	-16	0	0	112	L117 I119 L124 K125	L117-Q121 HydrophobicContact CD1-CG 4.43Å; L117-Q121 HydrophobicContact CG-CG 4.46Å; L117-Q121 WeakPolarHBondContact O-CB 3.46Å; L117-Q121 WeakPolarHBondContact O-CG 3.12Å; L117-Q121 PolarHBondContact O-N 2.94Å; I119-Q121 PolarHBondContact O-N 3.2Å; Q121-L124 PolarHBondContact O-N 3.1Å; Q121-K125 WeakPolarHBondContact O-CG 3.31Å; Q121-K125 PolarHBondContact O-N 3.06Å
122	G	93.1	Very high	88.8	Confident	37 Å²	37	101.2 Å²	101.2	38%	0.381	52%	0.522	S	S	.	.	H	α-helix	trans	-60.2	-49	172	0	0	0	0	0	112	G118 I119 L120 L124 K125 Q126	G118-G122 PolarHBondContact O-N 2.84Å; I119-G122 WeakPolarHBondContact O-CA 3.44Å; I119-G122 PolarHBondContact O-N 3.37Å; I119-G122 VanDerWaalsContact O-N 3.15Å; L120-G122 VanDerWaalsContact C-N 3.32Å; G122-L124 VanDerWaalsContact C-N 3.34Å; G122-L124 PolarHBondContact O-N 3.37Å; G122-K125 PolarHBondContact O-N 2.9Å; G122-Q126 WeakPolarHBondContact O-CB 3.18Å; G122-Q126 PolarHBondContact O-N 3.43Å
123	T	92.2	Very high	88.1	Confident	80 Å²	80	96.2 Å²	96.2	49%	0.491	51%	0.514	S	S	.	.	H	α-helix	trans	-61.8	-39.9	176.1	-50.9	0	0	0	0	112.1	I119 L120 Q126 F127	I119-T123 PolarHBondContact O-N 2.85Å; I119-T123 PolarHBondContact O-OG1 3.48Å; I119-T123 VanDerWaalsContact O-OG1 3.13Å; L120-T123 PolarHBondContact O-N 2.82Å; T123-Q126 PolarHBondContact O-N 2.75Å; T123-F127 PolarHBondContact O-N 3.14Å
124	L	91.9	Very high	87.2	Confident	104 Å²	104	95.9 Å²	95.9	55%	0.545	51%	0.507	S	S	.	.	H	α-helix	trans	-65	-42.2	176.9	-173.3	66.1	0	0	0	112.2	L120 Q121 G122 F127 Q128	L120-L124 PolarHBondContact O-N 3.09Å; Q121-L124 PolarHBondContact O-N 3.1Å; G122-L124 VanDerWaalsContact C-N 3.34Å; G122-L124 PolarHBondContact O-N 3.37Å; L124-F127 PolarHBondContact O-N 3.06Å; L124-Q128 WeakPolarHBondContact O-CG 3.46Å; L124-Q128 PolarHBondContact O-N 3.5Å
125	K	91.4	Very high	86.2	Confident	148 Å²	148	93.3 Å²	93.3	64%	0.643	51%	0.505	S	S	*	.	H	α-helix	trans	-64.4	-39.9	174.2	-76	-174.2	176.8	-173.1	0	111.9	Q121 G122 F127 Q128 A129	Q121-K125 WeakPolarHBondContact O-CG 3.31Å; Q121-K125 PolarHBondContact O-N 3.06Å; G122-K125 PolarHBondContact O-N 2.9Å; K125-F127 VanDerWaalsContact C-N 3.34Å; K125-Q128 PolarHBondContact O-N 3.32Å; K125-A129 WeakPolarHBondContact O-CB 3.4Å; K125-A129 PolarHBondContact O-N 3.31Å
126	Q	89.8	Confident	85	Confident	116 Å²	116	94 Å²	94	54%	0.542	51%	0.512	S	S	.	.	H	α-helix	trans	-62.4	-42.4	174.3	-174.5	175.5	-9.7	0	0	111.1	G122 T123 Q128 A129 E130	G122-Q126 WeakPolarHBondContact O-CB 3.18Å; G122-Q126 PolarHBondContact O-N 3.43Å; T123-Q126 PolarHBondContact O-N 2.75Å; Q126-Q128 PolarHBondContact O-N 2.92Å; Q126-A129 PolarHBondContact O-N 3.12Å; Q126-E130 HydrophobicContact CG-CG 4.41Å; Q126-E130 WeakPolarHBondContact CG-OE1 3.48Å; Q126-E130 PolarHBondContact NE2-OE1 3.47Å; Q126-E130 WeakPolarHBondContact O-CB 3.37Å; Q126-E130 WeakPolarHBondContact O-CG 3.47Å; Q126-E130 PolarHBondContact O-N 3.36Å
127	F	89.2	Confident	84.1	Confident	135 Å²	135	94.7 Å²	94.7	59%	0.592	51%	0.512	S	S	*	.	H	α-helix	trans	-63.1	-42	175.7	-167.6	-98	0	0	0	112.3	T123 L124 K125 E130 S131	T123-F127 PolarHBondContact O-N 3.14Å; L124-F127 PolarHBondContact O-N 3.06Å; K125-F127 VanDerWaalsContact C-N 3.34Å; F127-E130 PolarHBondContact O-N 2.88Å; F127-S131 WeakPolarHBondContact O-CB 3.42Å; F127-S131 PolarHBondContact O-N 3.03Å; F127-S131 PolarHBondContact O-OG 2.82Å
128	Q	88.3	Confident	83.3	Confident	120 Å²	120	95 Å²	95	56%	0.561	52%	0.52	S	S	*	.	H	α-helix	trans	-62.7	-42.8	173.9	-72.8	178	-12.8	0	0	112.1	L124 K125 Q126 S131 A132	L124-Q128 WeakPolarHBondContact O-CG 3.46Å; L124-Q128 PolarHBondContact O-N 3.5Å; K125-Q128 PolarHBondContact O-N 3.32Å; Q126-Q128 PolarHBondContact O-N 2.92Å; Q128-S131 WeakPolarHBondContact O-CB 3.49Å; Q128-S131 PolarHBondContact O-N 2.9Å; Q128-A132 WeakPolarHBondContact O-CB 3.49Å; Q128-A132 PolarHBondContact O-N 2.98Å
129	A	86.1	Confident	82.7	Confident	59 Å²	59	98.9 Å²	98.9	49%	0.488	53%	0.528	S	S	.	.	H	α-helix	trans	-65.6	-41.8	176.6	0	0	0	0	0	112	K125 Q126 S131 A132 A133	K125-A129 WeakPolarHBondContact O-CB 3.4Å; K125-A129 PolarHBondContact O-N 3.31Å; Q126-A129 PolarHBondContact O-N 3.12Å; A129-S131 VanDerWaalsContact C-N 3.35Å; A129-A132 PolarHBondContact O-N 2.95Å; A129-A133 WeakPolarHBondContact O-CB 3.41Å; A129-A133 PolarHBondContact O-N 3.3Å
130	E	82.7	Confident	82	Confident	104 Å²	104	97.4 Å²	97.4	49%	0.486	52%	0.519	S	S	.	.	H	α-helix	trans	-65	-37.4	174.6	-75	176.9	-164.6	0	0	111.8	Q126 F127 A133 A134	Q126-E130 HydrophobicContact CG-CG 4.41Å; Q126-E130 WeakPolarHBondContact CG-OE1 3.48Å; Q126-E130 PolarHBondContact NE2-OE1 3.47Å; Q126-E130 WeakPolarHBondContact O-CB 3.37Å; Q126-E130 WeakPolarHBondContact O-CG 3.47Å; Q126-E130 PolarHBondContact O-N 3.36Å; F127-E130 PolarHBondContact O-N 2.88Å; E130-A133 PolarHBondContact O-N 3.49Å; E130-A134 WeakPolarHBondContact O-CB 3.29Å; E130-A134 PolarHBondContact O-N 3.32Å
131	S	77.3	Confident	81.4	Confident	52 Å²	52	95.5 Å²	95.5	36%	0.364	51%	0.507	S	S	.	.	H	α-helix	trans	-62.6	-48.4	173.5	-53.5	0	0	0	0	111.4	F127 Q128 A129 A134 I135	F127-S131 WeakPolarHBondContact O-CB 3.42Å; F127-S131 PolarHBondContact O-N 3.03Å; F127-S131 PolarHBondContact O-OG 2.82Å; Q128-S131 WeakPolarHBondContact O-CB 3.49Å; Q128-S131 PolarHBondContact O-N 2.9Å; A129-S131 VanDerWaalsContact C-N 3.35Å; S131-A134 PolarHBondContact O-N 3.17Å; S131-I135 WeakPolarHBondContact O-CG1 3.09Å; S131-I135 PolarHBondContact O-N 3.35Å
132	A	77.9	Confident	81	Confident	48 Å²	48	97.2 Å²	97.2	40%	0.397	51%	0.513	S	S	.	.	H	α-helix	trans	-66.8	-38.3	178	0	0	0	0	0	112.3	Q128 A129 I135 K136	Q128-A132 WeakPolarHBondContact O-CB 3.49Å; Q128-A132 PolarHBondContact O-N 2.98Å; A129-A132 PolarHBondContact O-N 2.95Å; A132-I135 PolarHBondContact O-N 2.55Å; A132-K136 PolarHBondContact O-N 2.88Å
133	A	74	Confident	80.6	Confident	53 Å²	53	103 Å²	103	44%	0.438	52%	0.523	S	S	.	.	H	α-helix	trans	-70.6	-34.9	176.6	0	0	0	0	0	112.1	A129 E130 I135 K136 K137	A129-A133 WeakPolarHBondContact O-CB 3.41Å; A129-A133 PolarHBondContact O-N 3.3Å; E130-A133 PolarHBondContact O-N 3.49Å; A133-I135 VanDerWaalsContact C-N 3.31Å; A133-I135 PolarHBondContact O-N 3.2Å; A133-K136 CarbonylContact O-C 3.49Å; A133-K136 PolarHBondContact O-N 2.83Å; A133-K136 VanDerWaalsContact O-N 3.12Å; A133-K137 WeakPolarHBondContact O-CG 3.19Å; A133-K137 PolarHBondContact O-N 3.21Å
134	A	68.6	Low	80.2	Confident	33 Å²	33	106.9 Å²	106.9	27%	0.273	53%	0.528	S	S	.	.	H	α-helix	trans	-60	-42	174.1	0	0	0	0	0	111.3	E130 S131 K136 K137 M140	E130-A134 WeakPolarHBondContact O-CB 3.29Å; E130-A134 PolarHBondContact O-N 3.32Å; S131-A134 PolarHBondContact O-N 3.17Å; A134-K136 VanDerWaalsContact C-N 3.28Å; A134-K136 PolarHBondContact O-N 3.5Å; A134-K137 PolarHBondContact O-N 2.89Å; A134-M140 WeakPolarHBondContact O-CE 3.32Å
135	I	68.2	Low	79.9	Confident	115 Å²	115	107 Å²	107	59%	0.59	53%	0.529	S	S	*	.	H	α-helix	trans	-60.1	-39.4	174	-62.7	165.4	0	0	0	111.3	S131 A132 A133 M140	S131-I135 WeakPolarHBondContact O-CG1 3.09Å; S131-I135 PolarHBondContact O-N 3.35Å; A132-I135 PolarHBondContact O-N 2.55Å; A133-I135 VanDerWaalsContact C-N 3.31Å; A133-I135 PolarHBondContact O-N 3.2Å; I135-M140 VanDerWaalsContact CA-SD 3.58Å
136	K	65.3	Low	79.8	Confident	174 Å²	174	104 Å²	104	76%	0.757	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-0.6	-177.5	-65.9	-179.2	-178.5	-178.7	0	114.8	A132 A133 A134	A132-K136 PolarHBondContact O-N 2.88Å; A133-K136 CarbonylContact O-C 3.49Å; A133-K136 PolarHBondContact O-N 2.83Å; A133-K136 VanDerWaalsContact O-N 3.12Å; A134-K136 VanDerWaalsContact C-N 3.28Å; A134-K136 PolarHBondContact O-N 3.5Å
137	K	71	Confident	79.7	Confident	125 Å²	125	103 Å²	103	54%	0.543	52%	0.521	S	S	.	.			trans	-58.8	131.2	178	-76.7	-178.6	-178.1	177.4	0	109	A133 A134 Q139 M140 E141	A133-K137 WeakPolarHBondContact O-CG 3.19Å; A133-K137 PolarHBondContact O-N 3.21Å; A134-K137 PolarHBondContact O-N 2.89Å; K137-Q139 PolarHBondContact O-N 2.93Å; K137-M140 WeakPolarHBondContact O-CB 3.39Å; K137-M140 PolarHBondContact O-N 3.46Å; K137-E141 PolarHBondContact O-N 2.91Å
138	P	74.5	Confident	79.9	Confident	102 Å²	102	98.9 Å²	98.9	66%	0.662	51%	0.512	S	S	*	.	H	α-helix	trans	-59.7	-21.2	-178	23.6	-34.5	0	0	0	113.2	K142	P138-K142 WeakPolarHBondContact O-CG 3.2Å; P138-K142 PolarHBondContact O-N 3.39Å
139	Q	78.1	Confident	80.1	Confident	123 Å²	123	101 Å²	101	58%	0.575	52%	0.519	S	S	*	.	H	α-helix	trans	-71.3	-35.3	172.9	-169.8	179	12.1	0	0	112.9	K137 R143	K137-Q139 PolarHBondContact O-N 2.93Å; Q139-R143 WeakPolarHBondContact O-CG 3.43Å; Q139-R143 PolarHBondContact O-N 3.01Å; Q139-R143 VanDerWaalsContact O-N 3.08Å
140	M	78.2	Confident	80.2	Confident	87 Å²	87	103 Å²	103	43%	0.429	52%	0.522	S	S	.	.	H	α-helix	trans	-71.3	-41.2	178.2	-168.3	-177.6	-69.3	0	0	110.8	A134 I135 K137 K142 R143 R144	A134-M140 WeakPolarHBondContact O-CE 3.32Å; I135-M140 VanDerWaalsContact CA-SD 3.58Å; K137-M140 WeakPolarHBondContact O-CB 3.39Å; K137-M140 PolarHBondContact O-N 3.46Å; M140-K142 VanDerWaalsContact C-N 3.34Å; M140-K142 PolarHBondContact O-N 3.29Å; M140-R143 WeakPolarHBondContact O-CB 3.39Å; M140-R143 PolarHBondContact O-N 3.42Å; M140-R143 VanDerWaalsContact O-N 3.14Å; M140-R144 WeakPolarHBondContact O-CB 3.45Å; M140-R144 PolarHBondContact O-N 2.94Å
141	E	79.1	Confident	80.6	Confident	78 Å²	78	103.3 Å²	103.3	36%	0.364	52%	0.523	S	S	.	.	H	α-helix	trans	-62.3	-41	174.9	-172.7	59.5	-155	0	0	111.5	K137 R143 R144 L145	K137-E141 PolarHBondContact O-N 2.91Å; E141-R143 VanDerWaalsContact C-N 3.35Å; E141-R143 PolarHBondContact O-N 3.48Å; E141-R144 PolarHBondContact O-N 3.22Å; E141-R144 IonicContact OE1-NH1 3.63Å; E141-R144 IonicContact OE2-NH1 3.44Å; E141-R144 PolarHBondContact OE2-NH1 3.49Å; E141-L145 WeakPolarHBondContact O-CG 3.19Å; E141-L145 PolarHBondContact O-N 2.9Å
142	K	83.6	Confident	81.3	Confident	148 Å²	148	102.8 Å²	102.8	64%	0.643	52%	0.522	S	S	*	.	H	α-helix	trans	-59.7	-42.2	172.2	-74.2	177.5	-177.9	-176.8	0	112.5	P138 M140 L145 V146	P138-K142 WeakPolarHBondContact O-CG 3.2Å; P138-K142 PolarHBondContact O-N 3.39Å; M140-K142 VanDerWaalsContact C-N 3.34Å; M140-K142 PolarHBondContact O-N 3.29Å; K142-L145 PolarHBondContact O-N 3.13Å; K142-V146 VanDerWaalsContact O-CG2 3.29Å; K142-V146 WeakPolarHBondContact O-CG2 3.38Å; K142-V146 PolarHBondContact O-N 2.82Å; K142-V146 VanDerWaalsContact O-N 3.1Å
143	R	85.4	Confident	81.9	Confident	158 Å²	158	109 Å²	109	60%	0.596	54%	0.535	S	S	*	.	H	α-helix	trans	-63.7	-46.8	175.5	-73.5	178.4	179.4	-167.7	-0.2	111.3	Q139 M140 E141 L145 V146 D147	Q139-R143 WeakPolarHBondContact O-CG 3.43Å; Q139-R143 PolarHBondContact O-N 3.01Å; Q139-R143 VanDerWaalsContact O-N 3.08Å; M140-R143 WeakPolarHBondContact O-CB 3.39Å; M140-R143 PolarHBondContact O-N 3.42Å; M140-R143 VanDerWaalsContact O-N 3.14Å; E141-R143 VanDerWaalsContact C-N 3.35Å; E141-R143 PolarHBondContact O-N 3.48Å; R143-L145 VanDerWaalsContact C-N 3.34Å; R143-L145 PolarHBondContact O-N 3.33Å; R143-V146 WeakPolarHBondContact O-CB 3.31Å; R143-V146 PolarHBondContact O-N 3.28Å; R143-V146 VanDerWaalsContact O-N 3.09Å; R143-D147 VanDerWaalsContact O-CG 3.28Å; R143-D147 PolarHBondContact O-N 3.46Å
144	R	83.3	Confident	82.8	Confident	162 Å²	162	109.3 Å²	109.3	61%	0.611	54%	0.537	S	S	*	.	H	α-helix	trans	-58.7	-41.7	176.7	-177.9	-173.7	164.6	-154.7	-0.1	112.6	M140 E141 V146 D147 A148	M140-R144 WeakPolarHBondContact O-CB 3.45Å; M140-R144 PolarHBondContact O-N 2.94Å; E141-R144 PolarHBondContact O-N 3.22Å; E141-R144 IonicContact OE1-NH1 3.63Å; E141-R144 IonicContact OE2-NH1 3.44Å; E141-R144 PolarHBondContact OE2-NH1 3.49Å; R144-V146 VanDerWaalsContact C-N 3.35Å; R144-D147 PolarHBondContact O-N 2.98Å; R144-A148 WeakPolarHBondContact O-CB 3.48Å; R144-A148 PolarHBondContact O-N 3.27Å
145	L	87.3	Confident	83.8	Confident	108 Å²	108	114 Å²	114	57%	0.565	55%	0.548	S	S	*	.	H	α-helix	trans	-65.2	-38.4	175.4	-72.3	173.1	0	0	0	112.1	E141 K142 R143 K149	E141-L145 WeakPolarHBondContact O-CG 3.19Å; E141-L145 PolarHBondContact O-N 2.9Å; K142-L145 PolarHBondContact O-N 3.13Å; R143-L145 VanDerWaalsContact C-N 3.34Å; R143-L145 PolarHBondContact O-N 3.33Å; L145-K149 WeakPolarHBondContact O-CB 3.37Å; L145-K149 PolarHBondContact O-N 3.33Å
146	V	89.3	Confident	84.9	Confident	84 Å²	84	114.2 Å²	114.2	51%	0.509	55%	0.547	S	S	.	.	H	α-helix	trans	-65.9	-49.1	174.8	170.8	0	0	0	0	110.5	K142 R143 R144 A148 K149 L150	K142-V146 VanDerWaalsContact O-CG2 3.29Å; K142-V146 WeakPolarHBondContact O-CG2 3.38Å; K142-V146 PolarHBondContact O-N 2.82Å; K142-V146 VanDerWaalsContact O-N 3.1Å; R143-V146 WeakPolarHBondContact O-CB 3.31Å; R143-V146 PolarHBondContact O-N 3.28Å; R143-V146 VanDerWaalsContact O-N 3.09Å; R144-V146 VanDerWaalsContact C-N 3.35Å; V146-A148 PolarHBondContact O-N 3.27Å; V146-K149 PolarHBondContact O-N 3.04Å; V146-L150 HydrophobicContact CG1-CD1 4.06Å; V146-L150 HydrophobicContact CG1-CG 4.47Å; V146-L150 WeakPolarHBondContact O-CG 3.46Å; V146-L150 PolarHBondContact O-N 3.34Å
147	D	87.2	Confident	86.1	Confident	95 Å²	95	111.8 Å²	111.8	51%	0.508	54%	0.538	S	S	.	.	H	α-helix	trans	-63	-43.3	179.9	-64.7	-21.5	0	0	0	111.3	R143 R144 K149 L150 E151	R143-D147 VanDerWaalsContact O-CG 3.28Å; R143-D147 PolarHBondContact O-N 3.46Å; R144-D147 PolarHBondContact O-N 2.98Å; D147-K149 VanDerWaalsContact C-N 3.3Å; D147-K149 PolarHBondContact O-N 3.34Å; D147-L150 PolarHBondContact O-N 2.79Å; D147-E151 WeakPolarHBondContact O-CB 3.29Å; D147-E151 PolarHBondContact O-N 2.67Å
148	A	92.9	Very high	87.1	Confident	48 Å²	48	113.5 Å²	113.5	40%	0.397	55%	0.545	S	S	.	.	H	α-helix	trans	-61.7	-37.1	175.2	0	0	0	0	0	112.3	R144 V146 A152	R144-A148 WeakPolarHBondContact O-CB 3.48Å; R144-A148 PolarHBondContact O-N 3.27Å; V146-A148 PolarHBondContact O-N 3.27Å; A148-A152 VanDerWaalsContact O-CB 3.25Å; A148-A152 WeakPolarHBondContact O-CB 3.34Å; A148-A152 PolarHBondContact O-N 3.46Å
149	K	93	Very high	87.9	Confident	164 Å²	164	112.5 Å²	112.5	71%	0.713	53%	0.532	S	S	*	.	H	α-helix	trans	-70.4	-39.2	175.3	-172.8	174.7	-178.5	176.9	0	111.9	L145 V146 D147 R153	L145-K149 WeakPolarHBondContact O-CB 3.37Å; L145-K149 PolarHBondContact O-N 3.33Å; V146-K149 PolarHBondContact O-N 3.04Å; D147-K149 VanDerWaalsContact C-N 3.3Å; D147-K149 PolarHBondContact O-N 3.34Å; K149-R153 WeakPolarHBondContact O-CB 3.34Å; K149-R153 PolarHBondContact O-N 3.12Å
150	L	88.5	Confident	88.5	Confident	103 Å²	103	109.1 Å²	109.1	54%	0.539	52%	0.518	S	S	.	.	H	α-helix	trans	-64.4	-44.8	175.2	-73	172.8	0	0	0	111.2	V146 D147 R153 A154	V146-L150 HydrophobicContact CG1-CD1 4.06Å; V146-L150 HydrophobicContact CG1-CG 4.47Å; V146-L150 WeakPolarHBondContact O-CG 3.46Å; V146-L150 PolarHBondContact O-N 3.34Å; D147-L150 PolarHBondContact O-N 2.79Å; L150-R153 PolarHBondContact O-N 2.99Å; L150-A154 WeakPolarHBondContact O-CB 3.2Å; L150-A154 PolarHBondContact O-N 3.01Å
151	E	90.3	Very high	89	Confident	109 Å²	109	109 Å²	109	51%	0.509	52%	0.518	S	S	.	.	H	α-helix	trans	-66.6	-40.2	178	-159.6	-155.9	130.8	0	0	111.8	D147 R153 A154 R155	D147-E151 WeakPolarHBondContact O-CB 3.29Å; D147-E151 PolarHBondContact O-N 2.67Å; E151-R153 VanDerWaalsContact C-N 3.34Å; E151-R153 PolarHBondContact O-N 3.01Å; E151-A154 PolarHBondContact O-N 3.11Å; E151-R155 VanDerWaalsContact CD-NH2 3.32Å; E151-R155 WeakPolarHBondContact O-CB 3.45Å; E151-R155 WeakPolarHBondContact O-CG 3.5Å; E151-R155 PolarHBondContact O-N 2.92Å; E151-R155 IonicContact OE1-CZ 2.93Å; E151-R155 IonicContact OE1-NE 3.35Å; E151-R155 PolarHBondContact OE1-NE 2.81Å; E151-R155 IonicContact OE1-NH2 3.23Å; E151-R155 PolarHBondContact OE1-NH2 3.29Å; E151-R155 IonicContact OE2-NH2 3.75Å
152	A	92.4	Very high	89.5	Confident	41 Å²	41	113.7 Å²	113.7	34%	0.339	53%	0.533	S	S	.	.	H	α-helix	trans	-60.1	-43.6	173.8	0	0	0	0	0	111.9	A148 R155 E156	A148-A152 VanDerWaalsContact O-CB 3.25Å; A148-A152 WeakPolarHBondContact O-CB 3.34Å; A148-A152 PolarHBondContact O-N 3.46Å; A152-R155 PolarHBondContact O-N 3.35Å; A152-E156 WeakPolarHBondContact O-CB 3.34Å; A152-E156 PolarHBondContact O-N 3.02Å
153	R	90.4	Very high	89.9	Confident	180 Å²	180	112.5 Å²	112.5	68%	0.679	52%	0.524	S	S	*	.	H	α-helix	trans	-64.8	-42.5	176.1	-169	-178.1	-176.4	-173.5	0.7	112.1	K149 L150 E151 R155 E156 E157	K149-R153 WeakPolarHBondContact O-CB 3.34Å; K149-R153 PolarHBondContact O-N 3.12Å; L150-R153 PolarHBondContact O-N 2.99Å; E151-R153 VanDerWaalsContact C-N 3.34Å; E151-R153 PolarHBondContact O-N 3.01Å; R153-R155 VanDerWaalsContact C-N 3.33Å; R153-R155 PolarHBondContact O-N 3.01Å; R153-E156 PolarHBondContact O-N 3.42Å; R153-E157 PolarHBondContact O-N 3.42Å
154	A	92.1	Very high	90.2	Very high	58 Å²	58	110 Å²	110	48%	0.479	52%	0.519	S	S	.	.	H	α-helix	trans	-64.4	-37.6	176.4	0	0	0	0	0	112.2	L150 E151 K158	L150-A154 WeakPolarHBondContact O-CB 3.2Å; L150-A154 PolarHBondContact O-N 3.01Å; E151-A154 PolarHBondContact O-N 3.11Å; A154-K158 WeakPolarHBondContact O-CB 3.34Å; A154-K158 PolarHBondContact O-N 3.26Å
155	R	90.3	Very high	90.5	Very high	132 Å²	132	106.6 Å²	106.6	50%	0.498	51%	0.506	S	S	.	.	H	α-helix	trans	-65.5	-42.2	173.5	-78.9	-170.9	-100.3	102.1	-3.8	112.1	E151 A152 R153 K158 E159	E151-R155 VanDerWaalsContact CD-NH2 3.32Å; E151-R155 WeakPolarHBondContact O-CB 3.45Å; E151-R155 WeakPolarHBondContact O-CG 3.5Å; E151-R155 PolarHBondContact O-N 2.92Å; E151-R155 IonicContact OE1-CZ 2.93Å; E151-R155 IonicContact OE1-NE 3.35Å; E151-R155 PolarHBondContact OE1-NE 2.81Å; E151-R155 IonicContact OE1-NH2 3.23Å; E151-R155 PolarHBondContact OE1-NH2 3.29Å; E151-R155 IonicContact OE2-NH2 3.75Å; A152-R155 PolarHBondContact O-N 3.35Å; R153-R155 VanDerWaalsContact C-N 3.33Å; R153-R155 PolarHBondContact O-N 3.01Å; R155-K158 PolarHBondContact O-N 3.02Å; R155-E159 WeakPolarHBondContact O-CB 3.29Å; R155-E159 PolarHBondContact O-N 2.67Å
156	E	91.5	Very high	90.6	Very high	120 Å²	120	104.3 Å²	104.3	56%	0.561	50%	0.503	S	S	*	.	H	α-helix	trans	-63.3	-45.2	177	-173.5	-179.3	-174.9	0	0	111.9	A152 R153 E159 N160	A152-E156 WeakPolarHBondContact O-CB 3.34Å; A152-E156 PolarHBondContact O-N 3.02Å; R153-E156 PolarHBondContact O-N 3.42Å; E156-E159 PolarHBondContact O-N 3.37Å; E156-N160 WeakPolarHBondContact O-CB 3.5Å; E156-N160 VanDerWaalsContact O-CG 3.22Å; E156-N160 PolarHBondContact O-N 2.97Å; E156-N160 PolarHBondContact O-ND2 3.32Å
157	E	90.4	Very high	90.7	Very high	122 Å²	122	104.7 Å²	104.7	57%	0.57	50%	0.499	S	S	*	.	H	α-helix	trans	-62.1	-44.4	176.8	-174.2	177.5	176.2	0	0	111.8	R153 E159 N160 L161	R153-E157 PolarHBondContact O-N 3.42Å; E157-E159 VanDerWaalsContact C-N 3.32Å; E157-E159 PolarHBondContact O-N 3.16Å; E157-N160 PolarHBondContact O-N 3.08Å; E157-L161 WeakPolarHBondContact O-CG 3.32Å; E157-L161 PolarHBondContact O-N 2.99Å
158	K	91	Very high	91	Very high	162 Å²	162	101.5 Å²	101.5	70%	0.704	48%	0.482	S	S	*	.	H	α-helix	trans	-61.1	-41.2	175.8	-175.8	176.3	-179.8	176.9	0	112.1	A154 R155 R162	A154-K158 WeakPolarHBondContact O-CB 3.34Å; A154-K158 PolarHBondContact O-N 3.26Å; R155-K158 PolarHBondContact O-N 3.02Å; K158-R162 WeakPolarHBondContact O-CB 3.37Å; K158-R162 PolarHBondContact O-N 3.26Å
159	E	91.3	Very high	90.9	Very high	81 Å²	81	102.4 Å²	102.4	38%	0.379	48%	0.477	S	S	.	.	H	α-helix	trans	-72.4	-34.9	178.1	-175	54.4	-150.3	0	0	112.1	R155 E156 E157 R162 R163	R155-E159 WeakPolarHBondContact O-CB 3.29Å; R155-E159 PolarHBondContact O-N 2.67Å; E156-E159 PolarHBondContact O-N 3.37Å; E157-E159 VanDerWaalsContact C-N 3.32Å; E157-E159 PolarHBondContact O-N 3.16Å; E159-R162 PolarHBondContact O-N 2.95Å; E159-R163 WeakPolarHBondContact O-CB 3.45Å; E159-R163 WeakPolarHBondContact O-CG 3.25Å; E159-R163 PolarHBondContact O-N 3.46Å; E159-R163 IonicContact OE1-NE 3.81Å
160	N	92	Very high	90.8	Very high	52 Å²	52	99.4 Å²	99.4	28%	0.278	46%	0.461	S	S	.	.	H	α-helix	trans	-60	-50.4	171	-74	-19.4	0	0	0	110.7	E156 E157 R162 R163 E164	E156-N160 WeakPolarHBondContact O-CB 3.5Å; E156-N160 VanDerWaalsContact O-CG 3.22Å; E156-N160 PolarHBondContact O-N 2.97Å; E156-N160 PolarHBondContact O-ND2 3.32Å; E157-N160 PolarHBondContact O-N 3.08Å; N160-R162 VanDerWaalsContact C-N 3.27Å; N160-R162 PolarHBondContact O-N 3.31Å; N160-R163 PolarHBondContact O-N 2.84Å; N160-R163 VanDerWaalsContact O-N 3.13Å; N160-R163 PolarHBondContact OD1-NH1 2.97Å; N160-R163 PolarHBondContact OD1-NH2 3.32Å; N160-E164 WeakPolarHBondContact O-CB 3.44Å; N160-E164 WeakPolarHBondContact O-CG 3.43Å; N160-E164 PolarHBondContact O-N 3.15Å
161	L	88.3	Confident	91	Very high	84 Å²	84	96.1 Å²	96.1	44%	0.44	45%	0.446	S	S	.	.	H	α-helix	trans	-60.6	-37.2	176.9	-71.8	172.4	0	0	0	112.3	E157 R165	E157-L161 WeakPolarHBondContact O-CG 3.32Å; E157-L161 PolarHBondContact O-N 2.99Å; L161-R165 WeakPolarHBondContact O-CB 3.43Å; L161-R165 PolarHBondContact O-N 2.82Å
162	R	88.7	Confident	91.1	Very high	177 Å²	177	93.1 Å²	93.1	67%	0.668	43%	0.43	S	S	*	.	H	α-helix	trans	-64.2	-45.8	174.8	-174.1	-176.6	-179	163.7	1.8	111.5	K158 E159 N160 R165 A166	K158-R162 WeakPolarHBondContact O-CB 3.37Å; K158-R162 PolarHBondContact O-N 3.26Å; E159-R162 PolarHBondContact O-N 2.95Å; N160-R162 VanDerWaalsContact C-N 3.27Å; N160-R162 PolarHBondContact O-N 3.31Å; R162-R165 PolarHBondContact O-N 2.87Å; R162-A166 WeakPolarHBondContact O-CB 3.35Å; R162-A166 PolarHBondContact O-N 2.86Å
163	R	91.9	Very high	91	Very high	123 Å²	123	97.3 Å²	97.3	46%	0.464	44%	0.437	S	S	.	.	H	α-helix	trans	-64.4	-47.3	177.7	-80.5	-173.9	-92.9	106.6	-3.2	112	E159 N160 R165 A166 E167	E159-R163 WeakPolarHBondContact O-CB 3.45Å; E159-R163 WeakPolarHBondContact O-CG 3.25Å; E159-R163 PolarHBondContact O-N 3.46Å; E159-R163 IonicContact OE1-NE 3.81Å; N160-R163 PolarHBondContact O-N 2.84Å; N160-R163 VanDerWaalsContact O-N 3.13Å; N160-R163 PolarHBondContact OD1-NH1 2.97Å; N160-R163 PolarHBondContact OD1-NH2 3.32Å; R163-R165 VanDerWaalsContact C-N 3.34Å; R163-R165 PolarHBondContact O-N 3.42Å; R163-A166 PolarHBondContact O-N 3.13Å; R163-E167 WeakPolarHBondContact O-CB 3.46Å; R163-E167 PolarHBondContact O-N 2.93Å
164	E	91.4	Very high	91	Very high	105 Å²	105	93.1 Å²	93.1	49%	0.491	43%	0.425	S	S	.	.	H	α-helix	trans	-59	-46	176	-73.2	174.3	-166.8	0	0	111.3	N160 A166 E167 L168	N160-E164 WeakPolarHBondContact O-CB 3.44Å; N160-E164 WeakPolarHBondContact O-CG 3.43Å; N160-E164 PolarHBondContact O-N 3.15Å; E164-A166 PolarHBondContact O-N 3.17Å; E164-E167 PolarHBondContact O-N 2.89Å; E164-L168 WeakPolarHBondContact O-CG 3.39Å; E164-L168 PolarHBondContact O-N 2.95Å
165	R	89.5	Confident	91	Very high	91 Å²	91	92 Å²	92	34%	0.343	41%	0.41	S	S	.	.	H	α-helix	trans	-59.1	-48.9	174.9	-178.3	175.9	169.9	-151.5	-16.1	111.2	I28 T29 L161 R162 R163 E167 L168 F169 D352	I28-R165 HydrophobicContact CG2-CB 4.42Å; T29-R165 HydrophobicContact CG2-CG 4.31Å; L161-R165 WeakPolarHBondContact O-CB 3.43Å; L161-R165 PolarHBondContact O-N 2.82Å; R162-R165 PolarHBondContact O-N 2.87Å; R163-R165 VanDerWaalsContact C-N 3.34Å; R163-R165 PolarHBondContact O-N 3.42Å; R165-E167 VanDerWaalsContact C-N 3.3Å; R165-E167 PolarHBondContact O-N 3.34Å; R165-L168 PolarHBondContact O-N 2.94Å; R165-F169 HydrophobicContact CG-CD2 3.95Å; R165-F169 HydrophobicContact CG-CE2 3.74Å; R165-F169 WeakPolarHBondContact O-CD2 3.41Å; R165-F169 PolarHBondContact O-N 3.04Å; R165-F169 VanDerWaalsContact O-N 3.16Å; R165-D352 IonicContact CZ-OD2 2.65Å; R165-D352 IonicContact NH1-OD2 3.74Å; R165-D352 PolarHBondContact NH1-OD2 3.22Å; R165-D352 IonicContact NH2-OD2 2.93Å; R165-D352 PolarHBondContact NH2-OD2 3.45Å
166	A	90.2	Very high	91.1	Very high	60 Å²	60	88.9 Å²	88.9	50%	0.496	40%	0.401	S	S	.	.	H	α-helix	trans	-60.5	-40.1	179.3	0	0	0	0	0	112.2	R162 R163 E164 F169 R170	R162-A166 WeakPolarHBondContact O-CB 3.35Å; R162-A166 PolarHBondContact O-N 2.86Å; R163-A166 PolarHBondContact O-N 3.13Å; E164-A166 PolarHBondContact O-N 3.17Å; A166-F169 PolarHBondContact O-N 3.16Å; A166-R170 PolarHBondContact O-N 3.42Å
167	E	92.5	Very high	91	Very high	91 Å²	91	86.2 Å²	86.2	43%	0.425	39%	0.392	S	S	.	.	H	α-helix	trans	-65.2	-45.5	177.2	-169.9	57.6	-150.2	0	0	111.2	R163 E164 R165 F169 R170 T171	R163-E167 WeakPolarHBondContact O-CB 3.46Å; R163-E167 PolarHBondContact O-N 2.93Å; E164-E167 PolarHBondContact O-N 2.89Å; R165-E167 VanDerWaalsContact C-N 3.3Å; R165-E167 PolarHBondContact O-N 3.34Å; E167-F169 VanDerWaalsContact C-N 3.28Å; E167-F169 PolarHBondContact O-N 3.43Å; E167-R170 CarbonylContact O-C 3.57Å; E167-R170 WeakPolarHBondContact O-CA 3.47Å; E167-R170 VanDerWaalsContact O-CB 3.31Å; E167-R170 WeakPolarHBondContact O-CB 3.47Å; E167-R170 PolarHBondContact O-N 3.41Å; E167-T171 PolarHBondContact O-N 2.96Å; E167-T171 PolarHBondContact O-OG1 2.76Å
168	L	92.8	Very high	91.1	Very high	28 Å²	28	84.2 Å²	84.2	15%	0.147	38%	0.383	C	S	.	.	H	α-helix	trans	-57	-41	175.5	-73	177.9	0	0	0	112.6	V21 D24 I25 I28 E164 R165 R170 T171 R172	V21-L168 WeakPolarHBondContact CG1-O 3.41Å; D24-L168 HydrophobicContact CB-CD1 3.99Å; D24-L168 HydrophobicContact CB-CD2 3.88Å; I25-L168 HydrophobicContact CD1-CB 4.23Å; I25-L168 HydrophobicContact CG1-CB 3.64Å; I25-L168 HydrophobicContact CG1-CD1 4.06Å; I25-L168 HydrophobicContact CG1-CG 4.42Å; I28-L168 HydrophobicContact CD1-CD1 3.54Å; I28-L168 HydrophobicContact CG1-CD1 4.32Å; E164-L168 WeakPolarHBondContact O-CG 3.39Å; E164-L168 PolarHBondContact O-N 2.95Å; R165-L168 PolarHBondContact O-N 2.94Å; L168-R170 VanDerWaalsContact C-N 3.35Å; L168-T171 PolarHBondContact O-N 2.88Å; L168-R172 VanDerWaalsContact O-CB 3.25Å; L168-R172 WeakPolarHBondContact O-CB 3.44Å; L168-R172 PolarHBondContact O-N 3.25Å
169	F	91.5	Very high	91.2	Very high	67 Å²	67	77.1 Å²	77.1	29%	0.294	35%	0.353	S	S	.	.	H	α-helix	trans	-68.8	-32.8	175.8	-80.2	-74.6	0	0	0	112.7	I25 T29 R165 A166 E167 R173	I25-F169 HydrophobicContact CD1-CD1 4.23Å; I25-F169 HydrophobicContact CD1-CE1 4.26Å; I25-F169 HydrophobicContact CG2-CE1 4.05Å; I25-F169 HydrophobicContact CG2-CE2 4.04Å; I25-F169 HydrophobicContact CG2-CZ 3.53Å; T29-F169 HydrophobicContact CG2-CE2 4.19Å; T29-F169 HydrophobicContact CG2-CZ 4.36Å; R165-F169 HydrophobicContact CG-CD2 3.95Å; R165-F169 HydrophobicContact CG-CE2 3.74Å; R165-F169 WeakPolarHBondContact O-CD2 3.41Å; R165-F169 PolarHBondContact O-N 3.04Å; R165-F169 VanDerWaalsContact O-N 3.16Å; A166-F169 PolarHBondContact O-N 3.16Å; E167-F169 VanDerWaalsContact C-N 3.28Å; E167-F169 PolarHBondContact O-N 3.43Å; F169-R173 WeakPolarHBondContact O-CG 3.25Å; F169-R173 PolarHBondContact O-N 2.9Å; F169-R173 VanDerWaalsContact O-N 3.08Å
170	R	90.5	Very high	91.3	Very high	101 Å²	101	75.1 Å²	75.1	38%	0.381	35%	0.348	S	S	.	.	H	α-helix	trans	-64.9	-52.5	171	-179	-170.7	172.4	171.6	3.7	110.9	A166 E167 L168 R172 R173 E174	A166-R170 PolarHBondContact O-N 3.42Å; E167-R170 CarbonylContact O-C 3.57Å; E167-R170 WeakPolarHBondContact O-CA 3.47Å; E167-R170 VanDerWaalsContact O-CB 3.31Å; E167-R170 WeakPolarHBondContact O-CB 3.47Å; E167-R170 PolarHBondContact O-N 3.41Å; L168-R170 VanDerWaalsContact C-N 3.35Å; R170-R172 PolarHBondContact O-N 2.87Å; R170-R173 WeakPolarHBondContact O-CB 2.82Å; R170-R173 PolarHBondContact O-N 2.99Å; R170-E174 IonicContact CZ-OE1 3.5Å; R170-E174 IonicContact NE-OE1 3.96Å; R170-E174 PolarHBondContact NE-OE1 3.19Å; R170-E174 IonicContact NH2-OE1 3.69Å; R170-E174 WeakPolarHBondContact O-CG 3.35Å; R170-E174 PolarHBondContact O-N 3.43Å
171	T	92.4	Very high	91.3	Very high	35 Å²	35	73.1 Å²	73.1	22%	0.215	34%	0.337	C	S	.	.	H	α-helix	trans	-57.6	-40.4	177.2	-46.5	0	0	0	0	111.1	V21 E167 L168 R173 E174 H175	V21-T171 HydrophobicContact CG2-CG2 3.97Å; E167-T171 PolarHBondContact O-N 2.96Å; E167-T171 PolarHBondContact O-OG1 2.76Å; L168-T171 PolarHBondContact O-N 2.88Å; T171-R173 PolarHBondContact O-N 3.23Å; T171-E174 PolarHBondContact O-N 2.83Å; T171-H175 PolarHBondContact O-CD2 3.42Å; T171-H175 VanDerWaalsContact O-CD2 3.24Å; T171-H175 PolarHBondContact O-N 3.45Å
172	R	93	Very high	91.6	Very high	46 Å²	46	69.7 Å²	69.7	17%	0.174	32%	0.319	C	S	.	.	H	α-helix	trans	-58.3	-45.8	173.8	-175.1	-178.5	-174	-120.4	3.3	112	L18 V21 D22 I25 P33 L168 R170 E174 H175 H176	L18-R172 HydrophobicContact CD1-CG 3.91Å; V21-R172 HydrophobicContact CG1-CB 3.77Å; D22-R172 WeakPolarHBondContact OD1-CD 3.36Å; D22-R172 IonicContact OD1-CZ 3.8Å; D22-R172 IonicContact OD1-NE 3.19Å; D22-R172 PolarHBondContact OD1-NE 3.17Å; D22-R172 IonicContact OD1-NH2 2.83Å; I25-R172 HydrophobicContact CD1-CB 3.91Å; I25-R172 HydrophobicContact CD1-CG 4.21Å; P33-R172 PolarHBondContact O-NH2 2.92Å; L168-R172 VanDerWaalsContact O-CB 3.25Å; L168-R172 WeakPolarHBondContact O-CB 3.44Å; L168-R172 PolarHBondContact O-N 3.25Å; R170-R172 PolarHBondContact O-N 2.87Å; R172-E174 VanDerWaalsContact C-N 3.34Å; R172-H175 PolarHBondContact O-N 3.26Å; R172-H176 PolarHBondContact NE-CE1 2.96Å; R172-H176 PolarHBondContact O-N 3.32Å; R172-H176 PolarHBondContact O-ND1 2.92Å
173	R	88.8	Confident	91.8	Very high	129 Å²	129	64.3 Å²	64.3	49%	0.487	30%	0.302	S	S	.	.	H	α-helix	trans	-62.1	-43.6	177.1	-75.7	-176.3	-67.6	171.5	2.1	111.1	F169 R170 T171 H176 V177	F169-R173 WeakPolarHBondContact O-CG 3.25Å; F169-R173 PolarHBondContact O-N 2.9Å; F169-R173 VanDerWaalsContact O-N 3.08Å; R170-R173 WeakPolarHBondContact O-CB 2.82Å; R170-R173 PolarHBondContact O-N 2.99Å; T171-R173 PolarHBondContact O-N 3.23Å; R173-H176 PolarHBondContact O-N 3.48Å; R173-V177 WeakPolarHBondContact O-CG2 3.25Å; R173-V177 PolarHBondContact O-N 3.24Å
174	E	90.5	Very high	91.9	Very high	91 Å²	91	60 Å²	60	43%	0.425	29%	0.287	S	S	.	.	H	α-helix	trans	-60.5	-47.2	177.8	-68.5	172.1	-177.4	0	0	111.2	R170 T171 R172 H176 V177 E178	R170-E174 IonicContact CZ-OE1 3.5Å; R170-E174 IonicContact NE-OE1 3.96Å; R170-E174 PolarHBondContact NE-OE1 3.19Å; R170-E174 IonicContact NH2-OE1 3.69Å; R170-E174 WeakPolarHBondContact O-CG 3.35Å; R170-E174 PolarHBondContact O-N 3.43Å; T171-E174 PolarHBondContact O-N 2.83Å; R172-E174 VanDerWaalsContact C-N 3.34Å; E174-H176 PolarHBondContact O-N 2.98Å; E174-V177 PolarHBondContact O-N 2.98Å; E174-E178 PolarHBondContact O-N 3.02Å
175	H	93.2	Very high	92	Very high	35 Å²	35	55.9 Å²	55.9	16%	0.162	27%	0.267	C	S	.	.	H	α-helix	trans	-64	-39.2	175.5	-75	-57.3	0	0	0	113.6	Q17 L18 T171 R172 V177 E178 V179	Q17-H175 PolarHBondContact OE1-CE1 3.04Å; Q17-H175 VanDerWaalsContact OE1-CE1 3.26Å; L18-H175 HydrophobicContact CB-CB 4.14Å; L18-H175 HydrophobicContact CD1-CB 3.91Å; T171-H175 PolarHBondContact O-CD2 3.42Å; T171-H175 VanDerWaalsContact O-CD2 3.24Å; T171-H175 PolarHBondContact O-N 3.45Å; R172-H175 PolarHBondContact O-N 3.26Å; H175-V177 VanDerWaalsContact C-N 3.32Å; H175-V177 PolarHBondContact O-N 3.43Å; H175-E178 PolarHBondContact O-N 3.02Å; H175-V179 WeakPolarHBondContact O-CG2 3.35Å; H175-V179 PolarHBondContact O-N 3.24Å
176	H	91.2	Very high	92.2	Very high	67 Å²	67	52.9 Å²	52.9	31%	0.31	26%	0.257	S	S	.	.	H	α-helix	trans	-60.4	-43.1	174.5	-84.7	81.1	0	0	0	111.9	L18 R172 R173 E174 S180	L18-H176 WeakPolarHBondContact CD1-CE1 3.38Å; L18-H176 VanDerWaalsContact CD1-ND1 3.29Å; L18-H176 WeakPolarHBondContact CD1-ND1 3.37Å; R172-H176 PolarHBondContact NE-CE1 2.96Å; R172-H176 PolarHBondContact O-N 3.32Å; R172-H176 PolarHBondContact O-ND1 2.92Å; R173-H176 PolarHBondContact O-N 3.48Å; E174-H176 PolarHBondContact O-N 2.98Å; H176-S180 WeakPolarHBondContact O-CB 3.49Å; H176-S180 PolarHBondContact O-N 3.45Å
177	V	89.9	Confident	92.4	Very high	63 Å²	63	57.1 Å²	57.1	38%	0.382	26%	0.261	S	S	.	.	H	α-helix	trans	-62.7	-44.8	176.7	170.1	0	0	0	0	110.3	R173 E174 H175 S180 I181	R173-V177 WeakPolarHBondContact O-CG2 3.25Å; R173-V177 PolarHBondContact O-N 3.24Å; E174-V177 PolarHBondContact O-N 2.98Å; H175-V177 VanDerWaalsContact C-N 3.32Å; H175-V177 PolarHBondContact O-N 3.43Å; V177-S180 WeakPolarHBondContact O-CB 3.46Å; V177-S180 PolarHBondContact O-N 2.83Å; V177-I181 HydrophobicContact CG1-CD1 3.58Å; V177-I181 HydrophobicContact CG1-CG1 4.47Å; V177-I181 WeakPolarHBondContact O-CD1 3.43Å; V177-I181 VanDerWaalsContact O-CG1 3.29Å; V177-I181 WeakPolarHBondContact O-CG1 3.48Å; V177-I181 PolarHBondContact O-N 3.06Å
178	E	91.5	Very high	92.4	Very high	80 Å²	80	55.3 Å²	55.3	37%	0.374	25%	0.254	S	S	.	.	H	α-helix	trans	-61	-48.7	177.9	-175	57.5	-153.4	0	0	112.2	A14 E174 H175 S180 I181 L182	A14-E178 HydrophobicContact CB-CG 4.39Å; E174-E178 PolarHBondContact O-N 3.02Å; H175-E178 PolarHBondContact O-N 3.02Å; E178-S180 VanDerWaalsContact C-N 3.28Å; E178-S180 PolarHBondContact O-N 3.46Å; E178-I181 PolarHBondContact O-N 3.07Å; E178-I181 VanDerWaalsContact O-N 3.17Å; E178-L182 HydrophobicContact CG-CD1 4.12Å; E178-L182 WeakPolarHBondContact O-CG 3.45Å; E178-L182 PolarHBondContact O-N 3.23Å
179	V	94.7	Very high	92.4	Very high	13 Å²	13	54.3 Å²	54.3	8%	0.079	25%	0.249	C	C	.	.	H	α-helix	trans	-56.8	-43.5	175.9	170.9	0	0	0	0	110.9	A14 K15 H175 I181 L182 Q183	A14-V179 HydrophobicContact CB-CG2 3.86Å; K15-V179 HydrophobicContact CG-CG1 4.18Å; K15-V179 HydrophobicContact CG-CG2 4.17Å; H175-V179 WeakPolarHBondContact O-CG2 3.35Å; H175-V179 PolarHBondContact O-N 3.24Å; V179-I181 PolarHBondContact O-N 2.99Å; V179-L182 PolarHBondContact O-N 3.13Å; V179-Q183 HydrophobicContact CG1-CG 4.42Å; V179-Q183 WeakPolarHBondContact O-CB 3.47Å; V179-Q183 VanDerWaalsContact O-CG 3.25Å; V179-Q183 WeakPolarHBondContact O-CG 3.38Å; V179-Q183 PolarHBondContact O-N 3.3Å
180	S	92.2	Very high	92.5	Very high	40 Å²	40	56 Å²	56	28%	0.28	26%	0.256	S	S	.	.	H	α-helix	trans	-62.4	-42.6	178.4	-168.8	0	0	0	0	112.5	H176 V177 E178 Q184	H176-S180 WeakPolarHBondContact O-CB 3.49Å; H176-S180 PolarHBondContact O-N 3.45Å; V177-S180 WeakPolarHBondContact O-CB 3.46Å; V177-S180 PolarHBondContact O-N 2.83Å; E178-S180 VanDerWaalsContact C-N 3.28Å; E178-S180 PolarHBondContact O-N 3.46Å; S180-Q184 WeakPolarHBondContact O-CB 3.37Å; S180-Q184 PolarHBondContact O-N 2.92Å
181	I	92	Very high	92.7	Very high	10 Å²	10	58.7 Å²	58.7	5%	0.051	27%	0.27	C	S	.	.	H	α-helix	trans	-63.2	-48	177.2	-73.2	158.8	0	0	0	110.6	V177 E178 V179 Q183 Q184 K185 F251 L255	V177-I181 HydrophobicContact CG1-CD1 3.58Å; V177-I181 HydrophobicContact CG1-CG1 4.47Å; V177-I181 WeakPolarHBondContact O-CD1 3.43Å; V177-I181 VanDerWaalsContact O-CG1 3.29Å; V177-I181 WeakPolarHBondContact O-CG1 3.48Å; V177-I181 PolarHBondContact O-N 3.06Å; E178-I181 PolarHBondContact O-N 3.07Å; E178-I181 VanDerWaalsContact O-N 3.17Å; V179-I181 PolarHBondContact O-N 2.99Å; I181-Q183 PolarHBondContact O-N 3.37Å; I181-Q184 WeakPolarHBondContact O-CB 3.29Å; I181-Q184 PolarHBondContact O-N 3.43Å; I181-K185 PolarHBondContact O-N 3.45Å; I181-F251 HydrophobicContact CG2-CE2 4.29Å; I181-F251 HydrophobicContact CG2-CZ 3.64Å; I181-L255 HydrophobicContact CD1-CD1 3.44Å; I181-L255 VanDerWaalsContact CD1-CD1 3.44Å; I181-L255 HydrophobicContact CG1-CD1 4.05Å; I181-L255 HydrophobicContact CG2-CD1 3.83Å
182	L	94.1	Very high	92.9	Very high	11 Å²	11	57.5 Å²	57.5	6%	0.058	26%	0.262	C	S	.	.	H	α-helix	trans	-63.4	-42	-179.8	-67.3	172.8	0	0	0	111.7	L7 N10 L11 A14 E178 V179 Q184 K185 M186	L7-L182 HydrophobicContact CD1-CB 4.35Å; L7-L182 HydrophobicContact CD1-CD2 3.6Å; N10-L182 HydrophobicContact CB-CD1 4.43Å; N10-L182 HydrophobicContact CB-CD2 4.45Å; L11-L182 HydrophobicContact CB-CB 4.3Å; A14-L182 HydrophobicContact CB-CD1 3.75Å; E178-L182 HydrophobicContact CG-CD1 4.12Å; E178-L182 WeakPolarHBondContact O-CG 3.45Å; E178-L182 PolarHBondContact O-N 3.23Å; V179-L182 PolarHBondContact O-N 3.13Å; L182-Q184 VanDerWaalsContact C-N 3.35Å; L182-Q184 PolarHBondContact O-N 3.28Å; L182-K185 WeakPolarHBondContact O-CB 3.49Å; L182-K185 PolarHBondContact O-N 3.47Å; L182-M186 WeakPolarHBondContact O-CB 3.25Å; L182-M186 PolarHBondContact O-N 3.07Å
183	Q	94.2	Very high	93	Very high	64 Å²	64	58.6 Å²	58.6	30%	0.299	27%	0.269	S	S	.	.	H	α-helix	trans	-60.4	-42.9	173.4	-74.9	174.4	-8.5	0	0	112.2	L11 V179 I181 M186 R187	L11-Q183 HydrophobicContact CD1-CG 3.78Å; L11-Q183 HydrophobicContact CG-CG 4.49Å; V179-Q183 HydrophobicContact CG1-CG 4.42Å; V179-Q183 WeakPolarHBondContact O-CB 3.47Å; V179-Q183 VanDerWaalsContact O-CG 3.25Å; V179-Q183 WeakPolarHBondContact O-CG 3.38Å; V179-Q183 PolarHBondContact O-N 3.3Å; I181-Q183 PolarHBondContact O-N 3.37Å; Q183-M186 PolarHBondContact O-N 3.41Å; Q183-R187 WeakPolarHBondContact O-CG 3.41Å; Q183-R187 PolarHBondContact O-N 2.97Å
184	Q	93.1	Very high	93.4	Very high	32 Å²	32	57.1 Å²	57.1	15%	0.15	27%	0.27	C	S	.	.	H	α-helix	trans	-63.4	-45.6	176.1	-177.9	176.8	-20	0	0	111.4	S180 I181 L182 M186 R187 L188 N254	S180-Q184 WeakPolarHBondContact O-CB 3.37Å; S180-Q184 PolarHBondContact O-N 2.92Å; I181-Q184 WeakPolarHBondContact O-CB 3.29Å; I181-Q184 PolarHBondContact O-N 3.43Å; L182-Q184 VanDerWaalsContact C-N 3.35Å; L182-Q184 PolarHBondContact O-N 3.28Å; Q184-M186 VanDerWaalsContact C-N 3.28Å; Q184-M186 PolarHBondContact O-N 3.07Å; Q184-R187 PolarHBondContact O-N 3.49Å; Q184-L188 HydrophobicContact CG-CD1 4.42Å; Q184-L188 WeakPolarHBondContact O-CG 2.79Å; Q184-L188 PolarHBondContact O-N 3.43Å; Q184-N254 PolarHBondContact NE2-OD1 2.95Å; Q184-N254 PolarHBondContact OE1-OD1 2.98Å
185	K	93.8	Very high	93.7	Very high	19 Å²	19	55.8 Å²	55.8	8%	0.083	26%	0.261	C	S	.	.	H	α-helix	trans	-56.2	-45	175.3	-161.7	178.8	-176	-178	0	110.9	E2 L7 I181 L182 R187 L188 L189 F251	E2-K185 IonicContact OE1-NZ 3.82Å; E2-K185 PolarHBondContact OE1-NZ 2.87Å; E2-K185 IonicContact OE2-NZ 3.71Å; E2-K185 PolarHBondContact OE2-NZ 3.07Å; L7-K185 HydrophobicContact CD1-CB 4.34Å; L7-K185 HydrophobicContact CD1-CD 3.87Å; L7-K185 HydrophobicContact CD1-CG 4.42Å; L7-K185 HydrophobicContact CD2-CB 3.87Å; L7-K185 HydrophobicContact CD2-CD 4.03Å; L7-K185 HydrophobicContact CD2-CG 3.78Å; I181-K185 PolarHBondContact O-N 3.45Å; L182-K185 WeakPolarHBondContact O-CB 3.49Å; L182-K185 PolarHBondContact O-N 3.47Å; K185-R187 PolarHBondContact O-N 3.17Å; K185-L188 PolarHBondContact O-N 3.35Å; K185-L189 WeakPolarHBondContact O-CB 3.48Å; K185-L189 PolarHBondContact O-N 3.29Å; K185-F251 HydrophobicContact CB-CD2 4.18Å; K185-F251 HydrophobicContact CB-CE1 4.23Å; K185-F251 HydrophobicContact CB-CE2 3.41Å; K185-F251 VanDerWaalsContact CB-CE2 3.41Å; K185-F251 HydrophobicContact CB-CZ 3.44Å; K185-F251 VanDerWaalsContact CB-CZ 3.44Å; K185-F251 HydrophobicContact CD-CD1 4.35Å; K185-F251 HydrophobicContact CD-CE1 3.62Å; K185-F251 HydrophobicContact CD-CE2 4.37Å; K185-F251 HydrophobicContact CD-CZ 3.63Å; K185-F251 HydrophobicContact CG-CD1 4.26Å; K185-F251 HydrophobicContact CG-CD2 4.23Å; K185-F251 HydrophobicContact CG-CE1 3.82Å; K185-F251 HydrophobicContact CG-CE2 3.79Å; K185-F251 HydrophobicContact CG-CG 4.45Å; K185-F251 HydrophobicContact CG-CZ 3.57Å
186	M	94	Very high	93.9	Very high	28 Å²	28	56.6 Å²	56.6	14%	0.138	26%	0.264	C	S	.	.	H	α-helix	trans	-65.1	-41.9	-178.6	-172.7	-178.4	-177.2	0	0	111.6	L7 K8 L11 L182 Q183 Q184 L189 K190	L7-M186 VanDerWaalsContact CD2-CA 3.47Å; L7-M186 HydrophobicContact CD2-CB 3.81Å; L7-M186 HydrophobicContact CD2-CG 4.47Å; L7-M186 HydrophobicContact CG-CB 4.19Å; K8-M186 HydrophobicContact CD-CE 4.18Å; K8-M186 HydrophobicContact CG-CE 3.42Å; K8-M186 VanDerWaalsContact CG-CE 3.42Å; K8-M186 HydrophobicContact CG-SD 4.38Å; L11-M186 HydrophobicContact CD1-SD 3.92Å; L182-M186 WeakPolarHBondContact O-CB 3.25Å; L182-M186 PolarHBondContact O-N 3.07Å; Q183-M186 PolarHBondContact O-N 3.41Å; Q184-M186 VanDerWaalsContact C-N 3.28Å; Q184-M186 PolarHBondContact O-N 3.07Å; M186-L189 PolarHBondContact O-N 3.33Å; M186-K190 WeakPolarHBondContact O-CG 3.28Å; M186-K190 PolarHBondContact O-N 3.47Å
187	R	93.6	Very high	94.1	Very high	149 Å²	149	58.5 Å²	58.5	56%	0.562	27%	0.273	S	S	*	.	H	α-helix	trans	-60.6	-44.2	174.9	-76.1	-177.2	-72.9	146.9	-6.4	112.1	Q183 Q184 K185 K191	Q183-R187 WeakPolarHBondContact O-CG 3.41Å; Q183-R187 PolarHBondContact O-N 2.97Å; Q184-R187 PolarHBondContact O-N 3.49Å; K185-R187 PolarHBondContact O-N 3.17Å; R187-K191 WeakPolarHBondContact O-CG 3.43Å; R187-K191 PolarHBondContact O-N 3.03Å
188	L	92.5	Very high	94.4	Very high	54 Å²	54	60.6 Å²	60.6	28%	0.283	28%	0.279	S	S	.	.	H	α-helix	trans	-65.6	-43.3	177.9	-69.8	171.6	0	0	0	111.7	Q184 K185 K191 F192 F251	Q184-L188 HydrophobicContact CG-CD1 4.42Å; Q184-L188 WeakPolarHBondContact O-CG 2.79Å; Q184-L188 PolarHBondContact O-N 3.43Å; K185-L188 PolarHBondContact O-N 3.35Å; L188-K191 PolarHBondContact O-N 3.35Å; L188-F192 PolarHBondContact O-N 3.03Å; L188-F251 HydrophobicContact CD1-CD2 4.02Å
189	L	93.7	Very high	94.6	Very high	7 Å²	7	58.2 Å²	58.2	4%	0.037	27%	0.268	C	S	.	.	H	α-helix	trans	-66.3	-43.7	-178.6	-172.4	58.5	0	0	0	112.3	M1 E2 I4 L7 K185 M186 K191 F192 E193	M1-L189 HydrophobicContact CE-CD1 4.04Å; M1-L189 HydrophobicContact CG-CD1 3.87Å; M1-L189 HydrophobicContact SD-CD1 3.54Å; M1-L189 VanDerWaalsContact SD-CD1 3.54Å; E2-L189 VanDerWaalsContact O-CD2 3.29Å; E2-L189 WeakPolarHBondContact O-CD2 3.45Å; I4-L189 HydrophobicContact CB-CD2 4.4Å; I4-L189 HydrophobicContact CD1-CG 4.19Å; I4-L189 HydrophobicContact CG1-CB 4.29Å; I4-L189 HydrophobicContact CG1-CD2 3.45Å; I4-L189 VanDerWaalsContact CG1-CD2 3.45Å; I4-L189 HydrophobicContact CG1-CG 3.58Å; L7-L189 HydrophobicContact CD2-CD2 4.2Å; K185-L189 WeakPolarHBondContact O-CB 3.48Å; K185-L189 PolarHBondContact O-N 3.29Å; M186-L189 PolarHBondContact O-N 3.33Å; L189-K191 VanDerWaalsContact C-N 3.32Å; L189-K191 PolarHBondContact O-N 3.01Å; L189-F192 HydrophobicContact CD1-CD1 4.28Å; L189-F192 WeakPolarHBondContact O-CA 3.32Å; L189-F192 WeakPolarHBondContact O-CB 3.45Å; L189-F192 PolarHBondContact O-N 2.94Å; L189-E193 PolarHBondContact O-N 2.88Å
190	K	94.5	Very high	94.7	Very high	102 Å²	102	60.8 Å²	60.8	44%	0.443	28%	0.279	S	S	.	.	H	α-helix	trans	-54.3	-46.8	173.6	-77.8	-179.1	176.9	-176.7	0	112.3	I4 M186 F192 E193 I194	I4-K190 HydrophobicContact CD1-CB 4.4Å; I4-K190 HydrophobicContact CD1-CG 3.71Å; M186-K190 WeakPolarHBondContact O-CG 3.28Å; M186-K190 PolarHBondContact O-N 3.47Å; K190-F192 VanDerWaalsContact C-N 3.3Å; K190-F192 PolarHBondContact O-N 3.48Å; K190-E193 PolarHBondContact O-N 3.5Å; K190-I194 WeakPolarHBondContact O-CG1 3.48Å; K190-I194 PolarHBondContact O-N 3.2Å
191	K	94.6	Very high	94.9	Very high	158 Å²	158	66.1 Å²	66.1	69%	0.687	30%	0.297	S	S	*	.	H	α-helix	trans	-62.5	-39.7	177.3	-70.5	-179.4	179.8	-174.1	0	111.6	R187 L188 L189 W195	R187-K191 WeakPolarHBondContact O-CG 3.43Å; R187-K191 PolarHBondContact O-N 3.03Å; L188-K191 PolarHBondContact O-N 3.35Å; L189-K191 VanDerWaalsContact C-N 3.32Å; L189-K191 PolarHBondContact O-N 3.01Å; K191-W195 PolarHBondContact O-N 3.41Å
192	F	96.3	Very high	94.9	Very high	10 Å²	10	68.1 Å²	68.1	4%	0.044	31%	0.307	C	S	.	.	H	α-helix	trans	-66	-41	177.2	176.9	-106	0	0	0	112.6	M1 L188 L189 K190 W195 K196 I240 R243 R244 L247	M1-F192 HydrophobicContact SD-CD1 4.45Å; L188-F192 PolarHBondContact O-N 3.03Å; L189-F192 HydrophobicContact CD1-CD1 4.28Å; L189-F192 WeakPolarHBondContact O-CA 3.32Å; L189-F192 WeakPolarHBondContact O-CB 3.45Å; L189-F192 PolarHBondContact O-N 2.94Å; K190-F192 VanDerWaalsContact C-N 3.3Å; K190-F192 PolarHBondContact O-N 3.48Å; F192-W195 AromaticContact CD2-CE3 3.92Å; F192-W195 HydrophobicContact CD2-CE3 3.92Å; F192-W195 HydrophobicContact CD2-CZ3 4.22Å; F192-W195 AromaticContact CE2-CE3 3.8Å; F192-W195 HydrophobicContact CE2-CE3 3.8Å; F192-W195 AromaticContact CE2-CZ3 3.65Å; F192-W195 HydrophobicContact CE2-CZ3 3.65Å; F192-W195 HydrophobicContact CZ-CZ3 4.44Å; F192-W195 PolarHBondContact O-N 2.97Å; F192-K196 HydrophobicContact CE1-CD 4.23Å; F192-K196 VanDerWaalsContact O-CB 3.26Å; F192-K196 WeakPolarHBondContact O-CB 3.39Å; F192-K196 PolarHBondContact O-N 3.26Å; F192-I240 HydrophobicContact CZ-CG2 4.05Å; F192-R243 HydrophobicContact CD2-CG 4.11Å; F192-R243 HydrophobicContact CE2-CB 4.14Å; F192-R243 HydrophobicContact CE2-CG 3.98Å; F192-R244 HydrophobicContact CE1-CB 4.34Å; F192-R244 HydrophobicContact CE1-CG 4.33Å; F192-R244 HydrophobicContact CE2-CB 4.16Å; F192-R244 HydrophobicContact CZ-CB 3.68Å; F192-R244 HydrophobicContact CZ-CG 4.15Å; F192-L247 HydrophobicContact CB-CD1 3.62Å; F192-L247 HydrophobicContact CD2-CD1 3.24Å; F192-L247 HydrophobicContact CE2-CD1 4.07Å; F192-L247 HydrophobicContact CG-CD1 3.59Å
193	E	95.2	Very high	94.9	Very high	68 Å²	68	70.8 Å²	70.8	32%	0.318	32%	0.318	S	S	.	.	H	α-helix	trans	-64.2	-47	178.9	-74.5	-172.5	178.9	0	0	112.1	I4 L189 K190 W195 K196 E197	I4-E193 HydrophobicContact CD1-CG 4.17Å; I4-E193 WeakPolarHBondContact CD1-OE1 3.49Å; I4-E193 WeakPolarHBondContact CD1-OE2 3.49Å; I4-E193 VanDerWaalsContact CG1-OE1 3.26Å; I4-E193 WeakPolarHBondContact CG1-OE1 3.37Å; L189-E193 PolarHBondContact O-N 2.88Å; K190-E193 PolarHBondContact O-N 3.5Å; E193-W195 VanDerWaalsContact C-N 3.28Å; E193-W195 PolarHBondContact O-N 3.31Å; E193-K196 WeakPolarHBondContact O-CB 3.41Å; E193-K196 PolarHBondContact O-N 3.17Å; E193-K196 VanDerWaalsContact O-N 3.09Å; E193-E197 WeakPolarHBondContact O-CG 3.29Å; E193-E197 PolarHBondContact O-N 2.9Å
194	I	96.1	Very high	94.8	Very high	99 Å²	99	69.2 Å²	69.2	51%	0.508	32%	0.319	S	S	.	.	H	α-helix	trans	-56.5	-45.6	175.3	-64.9	166.3	0	0	0	110.7	K190 Q198	K190-I194 WeakPolarHBondContact O-CG1 3.48Å; K190-I194 PolarHBondContact O-N 3.2Å; I194-Q198 WeakPolarHBondContact O-CG 3.38Å; I194-Q198 PolarHBondContact O-N 2.91Å; I194-Q198 VanDerWaalsContact O-N 3.15Å
195	W	97.2	Very high	95	Very high	63 Å²	63	71.2 Å²	71.2	24%	0.239	33%	0.327	C	S	.	.	H	α-helix	trans	-65.1	-42.2	176.9	173.8	82.2	0	0	0	112.1	K191 F192 E193 E197 Q198 Q199 L239 I240 R243	K191-W195 PolarHBondContact O-N 3.41Å; F192-W195 AromaticContact CD2-CE3 3.92Å; F192-W195 HydrophobicContact CD2-CE3 3.92Å; F192-W195 HydrophobicContact CD2-CZ3 4.22Å; F192-W195 AromaticContact CE2-CE3 3.8Å; F192-W195 HydrophobicContact CE2-CE3 3.8Å; F192-W195 AromaticContact CE2-CZ3 3.65Å; F192-W195 HydrophobicContact CE2-CZ3 3.65Å; F192-W195 HydrophobicContact CZ-CZ3 4.44Å; F192-W195 PolarHBondContact O-N 2.97Å; E193-W195 VanDerWaalsContact C-N 3.28Å; E193-W195 PolarHBondContact O-N 3.31Å; W195-E197 PolarHBondContact O-N 3.28Å; W195-Q198 WeakPolarHBondContact O-CB 3.45Å; W195-Q198 PolarHBondContact O-N 2.92Å; W195-Q199 HydrophobicContact CD2-CG 4Å; W195-Q199 HydrophobicContact CE3-CG 4.33Å; W195-Q199 HydrophobicContact CH2-CG 3.94Å; W195-Q199 HydrophobicContact CZ2-CG 3.56Å; W195-Q199 HydrophobicContact CZ3-CG 4.29Å; W195-Q199 WeakPolarHBondContact O-CG 3.38Å; W195-Q199 PolarHBondContact O-N 3.38Å; W195-L239 HydrophobicContact CH2-CG 4.08Å; W195-L239 HydrophobicContact CZ2-CD2 4.21Å; W195-L239 HydrophobicContact CZ2-CG 4.09Å; W195-I240 HydrophobicContact CH2-CG1 4.12Å; W195-I240 HydrophobicContact CZ3-CB 4.34Å; W195-I240 HydrophobicContact CZ3-CG1 4Å; W195-R243 HydrophobicContact CE3-CG 4.16Å; W195-R243 HydrophobicContact CH2-CB 3.59Å; W195-R243 HydrophobicContact CH2-CG 3.9Å; W195-R243 HydrophobicContact CZ2-CB 4.38Å; W195-R243 HydrophobicContact CZ2-CG 4.39Å; W195-R243 HydrophobicContact CZ3-CB 3.7Å; W195-R243 HydrophobicContact CZ3-CG 3.79Å
196	K	96.7	Very high	95.1	Very high	51 Å²	51	70.3 Å²	70.3	22%	0.222	32%	0.323	C	S	.	.	H	α-helix	trans	-60.1	-46.6	177.9	178.7	-174.6	173.7	-87.1	0	110.8	F192 E193 Q198 Q199 E200 I240	F192-K196 HydrophobicContact CE1-CD 4.23Å; F192-K196 VanDerWaalsContact O-CB 3.26Å; F192-K196 WeakPolarHBondContact O-CB 3.39Å; F192-K196 PolarHBondContact O-N 3.26Å; E193-K196 WeakPolarHBondContact O-CB 3.41Å; E193-K196 PolarHBondContact O-N 3.17Å; E193-K196 VanDerWaalsContact O-N 3.09Å; K196-Q198 VanDerWaalsContact C-N 3.3Å; K196-Q198 PolarHBondContact O-N 2.92Å; K196-Q199 PolarHBondContact O-N 3.38Å; K196-Q199 VanDerWaalsContact O-N 3.14Å; K196-E200 WeakPolarHBondContact CE-OE1 3.48Å; K196-E200 HydrophobicContact CG-CG 4.44Å; K196-E200 IonicContact NZ-OE1 2.85Å; K196-E200 PolarHBondContact NZ-OE1 2.99Å; K196-E200 IonicContact NZ-OE2 2.63Å; K196-E200 PolarHBondContact NZ-OE2 3.09Å; K196-E200 WeakPolarHBondContact O-CG 3.42Å; K196-E200 PolarHBondContact O-N 2.98Å; K196-I240 HydrophobicContact CD-CG2 4.35Å; K196-I240 HydrophobicContact CG-CD1 4.28Å; K196-I240 HydrophobicContact CG-CG2 4.08Å
197	E	96.7	Very high	95.2	Very high	108 Å²	108	72.3 Å²	72.3	51%	0.505	33%	0.329	S	S	.	.	H	α-helix	trans	-58.7	-42.4	176.4	-73.8	178.5	-176.4	0	0	111.6	E193 W195 Q199 E200 K201	E193-E197 WeakPolarHBondContact O-CG 3.29Å; E193-E197 PolarHBondContact O-N 2.9Å; W195-E197 PolarHBondContact O-N 3.28Å; E197-Q199 PolarHBondContact O-N 3.26Å; E197-E200 PolarHBondContact O-N 3.02Å; E197-K201 WeakPolarHBondContact O-CG 3.39Å; E197-K201 PolarHBondContact O-N 3.25Å; E197-K201 VanDerWaalsContact O-N 3.08Å
198	Q	96.1	Very high	95.3	Very high	106 Å²	106	67.3 Å²	67.3	50%	0.495	32%	0.316	S	S	.	.	H	α-helix	trans	-61.5	-42.4	174.9	-71.7	176.5	-10.8	0	0	112.2	I194 W195 K196 K201	I194-Q198 WeakPolarHBondContact O-CG 3.38Å; I194-Q198 PolarHBondContact O-N 2.91Å; I194-Q198 VanDerWaalsContact O-N 3.15Å; W195-Q198 WeakPolarHBondContact O-CB 3.45Å; W195-Q198 PolarHBondContact O-N 2.92Å; K196-Q198 VanDerWaalsContact C-N 3.3Å; K196-Q198 PolarHBondContact O-N 2.92Å; Q198-K201 PolarHBondContact O-N 3.32Å
199	Q	96.3	Very high	95.3	Very high	31 Å²	31	70.1 Å²	70.1	15%	0.145	34%	0.34	C	S	.	.	H	α-helix	trans	-67.2	-37.5	176.2	-64.4	-52	-68.9	0	0	112	W195 K196 E197 K201 M202 I236 I240	W195-Q199 HydrophobicContact CD2-CG 4Å; W195-Q199 HydrophobicContact CE3-CG 4.33Å; W195-Q199 HydrophobicContact CH2-CG 3.94Å; W195-Q199 HydrophobicContact CZ2-CG 3.56Å; W195-Q199 HydrophobicContact CZ3-CG 4.29Å; W195-Q199 WeakPolarHBondContact O-CG 3.38Å; W195-Q199 PolarHBondContact O-N 3.38Å; K196-Q199 PolarHBondContact O-N 3.38Å; K196-Q199 VanDerWaalsContact O-N 3.14Å; E197-Q199 PolarHBondContact O-N 3.26Å; Q199-K201 VanDerWaalsContact C-N 3.29Å; Q199-K201 PolarHBondContact O-N 2.91Å; Q199-M202 WeakPolarHBondContact O-CB 3.46Å; Q199-M202 PolarHBondContact O-N 3.45Å; Q199-M202 VanDerWaalsContact O-N 3.08Å; Q199-I236 HydrophobicContact CB-CG2 4.14Å; Q199-I240 HydrophobicContact CB-CD1 3.98Å; Q199-I240 HydrophobicContact CB-CG1 4.07Å; Q199-I240 HydrophobicContact CG-CG1 4.49Å
200	E	95.8	Very high	95.3	Very high	67 Å²	67	77.8 Å²	77.8	31%	0.313	37%	0.373	S	S	.	.	H	α-helix	trans	-64.9	-32.5	177.8	-76.3	178.7	154.6	0	0	112.1	K196 E197 M202 K203 I240	K196-E200 WeakPolarHBondContact CE-OE1 3.48Å; K196-E200 HydrophobicContact CG-CG 4.44Å; K196-E200 IonicContact NZ-OE1 2.85Å; K196-E200 PolarHBondContact NZ-OE1 2.99Å; K196-E200 IonicContact NZ-OE2 2.63Å; K196-E200 PolarHBondContact NZ-OE2 3.09Å; K196-E200 WeakPolarHBondContact O-CG 3.42Å; K196-E200 PolarHBondContact O-N 2.98Å; E197-E200 PolarHBondContact O-N 3.02Å; E200-M202 PolarHBondContact O-N 2.98Å; E200-M202 VanDerWaalsContact O-N 3.15Å; E200-K203 HydrophobicContact CG-CD 4.37Å; E200-K203 VanDerWaalsContact O-CB 3.25Å; E200-K203 WeakPolarHBondContact O-CB 3.39Å; E200-K203 WeakPolarHBondContact O-CG 3.47Å; E200-K203 PolarHBondContact O-N 3.16Å; E200-I240 HydrophobicContact CG-CD1 4.08Å
201	K	95.4	Very high	95.2	Very high	151 Å²	151	77.5 Å²	77.5	66%	0.657	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-22	172	-70	170.2	-173.7	175.9	0	113.6	E197 Q198 Q199 K203 F205	E197-K201 WeakPolarHBondContact O-CG 3.39Å; E197-K201 PolarHBondContact O-N 3.25Å; E197-K201 VanDerWaalsContact O-N 3.08Å; Q198-K201 PolarHBondContact O-N 3.32Å; Q199-K201 VanDerWaalsContact C-N 3.29Å; Q199-K201 PolarHBondContact O-N 2.91Å; K201-K203 VanDerWaalsContact C-N 3.32Å; K201-F205 WeakPolarHBondContact O-CE2 3.49Å
202	M	93.6	Very high	95.2	Very high	52 Å²	52	75.4 Å²	75.4	26%	0.256	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-7.3	178.9	-50	-177.2	82.1	0	0	112.7	Q199 E200 F205 F215 I236	Q199-M202 WeakPolarHBondContact O-CB 3.46Å; Q199-M202 PolarHBondContact O-N 3.45Å; Q199-M202 VanDerWaalsContact O-N 3.08Å; E200-M202 PolarHBondContact O-N 2.98Å; E200-M202 VanDerWaalsContact O-N 3.15Å; M202-F205 WeakPolarHBondContact O-CD2 3.29Å; M202-F205 PolarHBondContact O-N 2.91Å; M202-F215 HydrophobicContact CB-CD1 4.2Å; M202-F215 HydrophobicContact CB-CE1 4.16Å; M202-F215 HydrophobicContact CE-CB 4.26Å; M202-F215 HydrophobicContact CE-CD1 4.05Å; M202-F215 HydrophobicContact CE-CD2 3.08Å; M202-F215 HydrophobicContact CE-CE1 4.1Å; M202-F215 HydrophobicContact CE-CE2 3.15Å; M202-F215 HydrophobicContact CE-CG 3.54Å; M202-F215 HydrophobicContact CE-CZ 3.66Å; M202-F215 HydrophobicContact SD-CE2 4.3Å; M202-F215 HydrophobicContact SD-CZ 4.35Å; M202-I236 HydrophobicContact CB-CD1 3.78Å
203	K	94	Very high	95.1	Very high	67 Å²	67	80.5 Å²	80.5	29%	0.291	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	136.9	172.2	-64.8	179.4	172.7	-175.2	0	109.3	E200 K201 V233 I236 D237	E200-K203 HydrophobicContact CG-CD 4.37Å; E200-K203 VanDerWaalsContact O-CB 3.25Å; E200-K203 WeakPolarHBondContact O-CB 3.39Å; E200-K203 WeakPolarHBondContact O-CG 3.47Å; E200-K203 PolarHBondContact O-N 3.16Å; K201-K203 VanDerWaalsContact C-N 3.32Å; K203-V233 HydrophobicContact CB-CG2 4.13Å; K203-V233 HydrophobicContact CG-CG2 4.31Å; K203-I236 HydrophobicContact CG-CD1 4.13Å; K203-I236 HydrophobicContact CG-CG2 4.24Å; K203-D237 WeakPolarHBondContact CE-OD1 3.5Å; K203-D237 IonicContact NZ-OD1 3.2Å; K203-D237 PolarHBondContact NZ-OD1 3.39Å; K203-D237 IonicContact NZ-OD2 2.97Å
204	G	92.7	Very high	95.1	Very high	32 Å²	32	82.3 Å²	82.3	33%	0.33	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.6	-6.3	-175.6	0	0	0	0	0	115.1
205	F	96.1	Very high	95	Very high	73 Å²	73	80.1 Å²	80.1	32%	0.32	40%	0.401	S	S	.	.	S	Bend	trans	-97.9	146.7	173.1	-65	-96.6	0	0	0	111.1	K201 M202 F215 R217 A232	K201-F205 WeakPolarHBondContact O-CE2 3.49Å; M202-F205 WeakPolarHBondContact O-CD2 3.29Å; M202-F205 PolarHBondContact O-N 2.91Å; F205-F215 HydrophobicContact CB-CB 3.85Å; F205-F215 HydrophobicContact CB-CD1 3.99Å; F205-F215 HydrophobicContact CB-CG 4.43Å; F205-F215 HydrophobicContact CG-CB 4.3Å; F205-R217 HydrophobicContact CD1-CB 3.97Å; F205-R217 HydrophobicContact CE1-CB 4.12Å; F205-A232 VanDerWaalsContact O-CB 3.3Å; F205-A232 WeakPolarHBondContact O-CB 3.39Å
206	C	95.8	Very high	95	Very high	0 Å²	0	81.3 Å²	81.3	0%	0	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	137.6	165.7	-66.3	0	0	0	0	109	F215 Y216 R228	C206-F215 VanDerWaalsContact O-CA 3.3Å; C206-F215 WeakPolarHBondContact O-CA 3.34Å; C206-Y216 HydrophobicContact CB-CD1 3.86Å; C206-Y216 HydrophobicContact CB-CD2 4.2Å; C206-Y216 HydrophobicContact CB-CE1 3.4Å; C206-Y216 HydrophobicContact CB-CE2 3.79Å; C206-Y216 HydrophobicContact CB-CG 4.24Å; C206-Y216 PolarHBondContact N-O 3.03Å; C206-Y216 WeakPolarHBondContact O-CD1 3.48Å; C206-Y216 PolarHBondContact O-N 3.37Å; C206-R228 HydrophobicContact CB-CB 4.13Å
207	R	95.6	Very high	94.9	Very high	70 Å²	70	87.5 Å²	87.5	26%	0.264	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	137.9	176.7	-168.9	-175.1	68.9	172.6	-1.7	110.7	Y213 F215 A232 A235	R207-Y213 HydrophobicContact CG-CD1 4.13Å; R207-Y213 HydrophobicContact CG-CG 4.26Å; R207-F215 HydrophobicContact CB-CD1 4.16Å; R207-F215 HydrophobicContact CB-CE1 3.86Å; R207-F215 HydrophobicContact CB-CZ 4.3Å; R207-F215 HydrophobicContact CG-CD1 4.29Å; R207-F215 HydrophobicContact CG-CE1 3.76Å; R207-F215 HydrophobicContact CG-CE2 4.07Å; R207-F215 HydrophobicContact CG-CZ 3.67Å; R207-A232 HydrophobicContact CB-CB 3.72Å; R207-A235 VanDerWaalsContact CZ-CB 3.4Å; R207-A235 VanDerWaalsContact NH2-CB 3.34Å
208	T	95.8	Very high	94.8	Very high	44 Å²	44	83.6 Å²	83.6	27%	0.27	41%	0.413	S	S	.	.			trans	-65.6	157.8	170	57.9	0	0	0	0	112	K210 Y213 I214	T208-K210 PolarHBondContact OG1-O 2.89Å; T208-Y213 VanDerWaalsContact O-CD1 3.29Å; T208-Y213 WeakPolarHBondContact O-CD1 3.42Å; T208-Y213 WeakPolarHBondContact OG1-CA 3.46Å; T208-I214 HydrophobicContact CG2-CB 3.89Å; T208-I214 PolarHBondContact N-O 3.44Å; T208-I214 PolarHBondContact OG1-N 3.42Å
209	S	92.7	Very high	94.7	Very high	113 Å²	113	88.7 Å²	88.7	79%	0.79	43%	0.433	S	S	*	.	S	Bend	trans	-79.7	-34.3	-179.4	-176.5	0	0	0	0	113.2	Y213	S209-Y213 WeakPolarHBondContact O-CE1 3.4Å
210	K	93.9	Very high	94.6	Very high	168 Å²	168	93.9 Å²	93.9	73%	0.73	46%	0.46	S	S	*	.	S	Bend	trans	-101.1	144.2	-176.7	-62.3	-174.6	-178.9	-179.2	0	111.5	T208 P212	T208-K210 PolarHBondContact OG1-O 2.89Å; K210-P212 CarbonylContact O-C 3.55Å
211	P	93.4	Very high	94.5	Very high	97 Å²	97	94 Å²	94	63%	0.63	46%	0.461	S	S	*	.	S	Bend	trans	-70.1	149.1	169.7	30.8	-34	0	0	0	110.6
212	P	93.7	Very high	94.5	Very high	114 Å²	114	90.5 Å²	90.5	74%	0.74	45%	0.449	S	S	*	.	S	Bend	cis	-67	133.7	-6.3	29.1	-34.4	0	0	0	111.3	K210 I214	K210-P212 CarbonylContact O-C 3.55Å; P212-I214 PolarHBondContact O-N 3.2Å
213	Y	93.7	Very high	94.6	Very high	117 Å²	117	96.2 Å²	96.2	46%	0.459	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-70.9	122.4	-177.4	-62.7	-61.3	0	0	0	110.3	R207 T208 S209	R207-Y213 HydrophobicContact CG-CD1 4.13Å; R207-Y213 HydrophobicContact CG-CG 4.26Å; T208-Y213 VanDerWaalsContact O-CD1 3.29Å; T208-Y213 WeakPolarHBondContact O-CD1 3.42Å; T208-Y213 WeakPolarHBondContact OG1-CA 3.46Å; S209-Y213 WeakPolarHBondContact O-CE1 3.4Å
214	I	95.1	Very high	94.7	Very high	105 Å²	105	97.7 Å²	97.7	54%	0.538	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-102.7	133.5	175	-55.9	173.3	0	0	0	107.7	T208 P212	T208-I214 HydrophobicContact CG2-CB 3.89Å; T208-I214 PolarHBondContact N-O 3.44Å; T208-I214 PolarHBondContact OG1-N 3.42Å; P212-I214 PolarHBondContact O-N 3.2Å
215	F	95.6	Very high	94.8	Very high	53 Å²	53	96.6 Å²	96.6	23%	0.232	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	124.6	176.8	-69.9	-99.8	0	0	0	108.7	M202 F205 C206 R207 I236	M202-F215 HydrophobicContact CB-CD1 4.2Å; M202-F215 HydrophobicContact CB-CE1 4.16Å; M202-F215 HydrophobicContact CE-CB 4.26Å; M202-F215 HydrophobicContact CE-CD1 4.05Å; M202-F215 HydrophobicContact CE-CD2 3.08Å; M202-F215 HydrophobicContact CE-CE1 4.1Å; M202-F215 HydrophobicContact CE-CE2 3.15Å; M202-F215 HydrophobicContact CE-CG 3.54Å; M202-F215 HydrophobicContact CE-CZ 3.66Å; M202-F215 HydrophobicContact SD-CE2 4.3Å; M202-F215 HydrophobicContact SD-CZ 4.35Å; F205-F215 HydrophobicContact CB-CB 3.85Å; F205-F215 HydrophobicContact CB-CD1 3.99Å; F205-F215 HydrophobicContact CB-CG 4.43Å; F205-F215 HydrophobicContact CG-CB 4.3Å; C206-F215 VanDerWaalsContact O-CA 3.3Å; C206-F215 WeakPolarHBondContact O-CA 3.34Å; R207-F215 HydrophobicContact CB-CD1 4.16Å; R207-F215 HydrophobicContact CB-CE1 3.86Å; R207-F215 HydrophobicContact CB-CZ 4.3Å; R207-F215 HydrophobicContact CG-CD1 4.29Å; R207-F215 HydrophobicContact CG-CE1 3.76Å; R207-F215 HydrophobicContact CG-CE2 4.07Å; R207-F215 HydrophobicContact CG-CZ 3.67Å; F215-I236 HydrophobicContact CE1-CD1 4.04Å; F215-I236 HydrophobicContact CE1-CG1 4.49Å
216	Y	95.7	Very high	94.8	Very high	89 Å²	89	99 Å²	99	35%	0.349	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	155	-177.2	70.2	-81.7	0	0	0	110.6	C206 P218	C206-Y216 HydrophobicContact CB-CD1 3.86Å; C206-Y216 HydrophobicContact CB-CD2 4.2Å; C206-Y216 HydrophobicContact CB-CE1 3.4Å; C206-Y216 HydrophobicContact CB-CE2 3.79Å; C206-Y216 HydrophobicContact CB-CG 4.24Å; C206-Y216 PolarHBondContact N-O 3.03Å; C206-Y216 WeakPolarHBondContact O-CD1 3.48Å; C206-Y216 PolarHBondContact O-N 3.37Å; Y216-P218 HydrophobicContact CD2-CG 4.26Å; Y216-P218 HydrophobicContact CE2-CG 3.94Å
217	R	94.7	Very high	94.9	Very high	180 Å²	180	106.5 Å²	106.5	68%	0.679	51%	0.509	S	S	*	.			trans	-120.3	112.9	177	-172.2	176.1	176.1	-155.5	-0.5	109.5	F205	F205-R217 HydrophobicContact CD1-CB 3.97Å; F205-R217 HydrophobicContact CE1-CB 4.12Å
218	P	94.6	Very high	94.9	Very high	27 Å²	27	107 Å²	107	18%	0.175	51%	0.511	C	S	.	.			trans	-58.6	148.5	174.8	-23.4	32.9	0	0	0	112.1	Y216 I220 S225	Y216-P218 HydrophobicContact CD2-CG 4.26Å; Y216-P218 HydrophobicContact CE2-CG 3.94Å; P218-I220 VanDerWaalsContact C-N 3.33Å; P218-S225 WeakPolarHBondContact CG-OG 3.4Å
219	K	94.6	Very high	94.9	Very high	212 Å²	212	106.3 Å²	106.3	92%	0.922	51%	0.506	S	S	*	.	S	Bend	trans	-65.1	-37.8	174.1	-173.2	178.2	-179.9	180	0	112.1
220	I	94.6	Very high	95.1	Very high	141 Å²	141	105.4 Å²	105.4	72%	0.723	49%	0.489	S	S	*	.	S	Bend	trans	-129.8	128.1	176.7	-56.2	173.4	0	0	0	107.2	P218	P218-I220 VanDerWaalsContact C-N 3.33Å
221	H	94.1	Very high	95.2	Very high	68 Å²	68	100.2 Å²	100.2	32%	0.315	47%	0.471	S	S	.	.			trans	-82.9	116.5	179.2	-68.4	-75.2	0	0	0	110.7	K226 I229	H221-K226 HydrophobicContact CB-CG 4.38Å; H221-I229 VanDerWaalsContact CE1-CD1 3.42Å; H221-I229 WeakPolarHBondContact CE1-CD1 3.33Å
222	N	94.8	Very high	95.4	Very high	79 Å²	79	95.6 Å²	95.6	42%	0.422	44%	0.441	S	S	.	.			trans	-84.3	169.2	161.3	65.5	-7.3	0	0	0	110.5	E224 S225 K226	N222-E224 PolarHBondContact O-N 3.07Å; N222-S225 WeakPolarHBondContact O-CB 3.4Å; N222-S225 PolarHBondContact O-N 3.38Å; N222-S225 WeakPolarHBondContact OD1-CA 3.49Å; N222-S225 WeakPolarHBondContact OD1-CB 3.42Å; N222-S225 PolarHBondContact OD1-N 3.29Å; N222-S225 PolarHBondContact OD1-OG 3.27Å; N222-K226 PolarHBondContact O-N 3.03Å; N222-K226 VanDerWaalsContact O-N 3.08Å
223	E	96.1	Very high	95.5	Very high	171 Å²	171	92 Å²	92	80%	0.799	42%	0.417	S	S	*	.	H	α-helix	trans	-55.5	-41	177.3	-66.2	179.7	173.9	0	0	112	S225 K226 W227	E223-S225 VanDerWaalsContact C-N 3.32Å; E223-S225 PolarHBondContact O-N 3.49Å; E223-K226 WeakPolarHBondContact O-CB 3.29Å; E223-K226 PolarHBondContact O-N 3.38Å; E223-W227 PolarHBondContact O-N 3.39Å
224	E	94.5	Very high	95.7	Very high	99 Å²	99	94.3 Å²	94.3	46%	0.463	43%	0.425	S	S	.	.	H	α-helix	trans	-60.6	-38.6	176.2	-164.8	-162.5	-167.9	0	0	112.5	N222 W227 R228	N222-E224 PolarHBondContact O-N 3.07Å; E224-W227 PolarHBondContact O-N 2.9Å; E224-R228 VanDerWaalsContact CD-CZ 3.43Å; E224-R228 VanDerWaalsContact CD-NH2 3.31Å; E224-R228 WeakPolarHBondContact O-CG 3.39Å; E224-R228 PolarHBondContact O-N 2.92Å; E224-R228 IonicContact OE1-CZ 2.76Å; E224-R228 IonicContact OE1-NH1 2.74Å; E224-R228 PolarHBondContact OE1-NH1 3.3Å; E224-R228 IonicContact OE1-NH2 3.83Å; E224-R228 PolarHBondContact OE1-NH2 3.44Å; E224-R228 IonicContact OE2-CZ 3.69Å; E224-R228 IonicContact OE2-NH1 2.79Å; E224-R228 PolarHBondContact OE2-NH1 3.24Å; E224-R228 IonicContact OE2-NH2 3.8Å
225	S	96	Very high	95.7	Very high	8 Å²	8	90.4 Å²	90.4	6%	0.056	41%	0.408	C	S	.	.	H	α-helix	trans	-69.7	-38	176.4	-66.8	0	0	0	0	111.8	P218 N222 E223 W227 R228 I229	P218-S225 WeakPolarHBondContact CG-OG 3.4Å; N222-S225 WeakPolarHBondContact O-CB 3.4Å; N222-S225 PolarHBondContact O-N 3.38Å; N222-S225 WeakPolarHBondContact OD1-CA 3.49Å; N222-S225 WeakPolarHBondContact OD1-CB 3.42Å; N222-S225 PolarHBondContact OD1-N 3.29Å; N222-S225 PolarHBondContact OD1-OG 3.27Å; E223-S225 VanDerWaalsContact C-N 3.32Å; E223-S225 PolarHBondContact O-N 3.49Å; S225-W227 VanDerWaalsContact C-N 3.35Å; S225-R228 PolarHBondContact O-N 3.32Å; S225-I229 VanDerWaalsContact O-CG1 3.28Å; S225-I229 WeakPolarHBondContact O-CG1 3.16Å; S225-I229 PolarHBondContact O-N 3.01Å
226	K	96.1	Very high	95.8	Very high	123 Å²	123	88.1 Å²	88.1	54%	0.535	40%	0.398	S	S	.	.	H	α-helix	trans	-61.4	-46.4	173.9	-66.3	-179.9	-179.2	178.5	0	110.4	H221 N222 E223 R228 I229 E230	H221-K226 HydrophobicContact CB-CG 4.38Å; N222-K226 PolarHBondContact O-N 3.03Å; N222-K226 VanDerWaalsContact O-N 3.08Å; E223-K226 WeakPolarHBondContact O-CB 3.29Å; E223-K226 PolarHBondContact O-N 3.38Å; K226-R228 PolarHBondContact O-N 2.93Å; K226-I229 WeakPolarHBondContact O-CB 3.38Å; K226-I229 PolarHBondContact O-N 2.89Å; K226-I229 VanDerWaalsContact O-N 3.16Å; K226-E230 PolarHBondContact O-N 3.03Å
227	W	96.7	Very high	95.9	Very high	158 Å²	158	87 Å²	87	60%	0.598	40%	0.398	S	S	*	.	H	α-helix	trans	-58.1	-44.9	173.7	179.7	-102	0	0	0	112.4	E223 E224 S225 I229 E230 V231	E223-W227 PolarHBondContact O-N 3.39Å; E224-W227 PolarHBondContact O-N 2.9Å; S225-W227 VanDerWaalsContact C-N 3.35Å; W227-I229 VanDerWaalsContact C-N 3.31Å; W227-I229 PolarHBondContact O-N 3.27Å; W227-E230 PolarHBondContact O-N 3.03Å; W227-V231 HydrophobicContact CD2-CG2 4.41Å; W227-V231 HydrophobicContact CZ2-CG2 4.38Å; W227-V231 VanDerWaalsContact O-CG2 3.31Å; W227-V231 WeakPolarHBondContact O-CG2 3.47Å; W227-V231 PolarHBondContact O-N 2.81Å
228	R	96.5	Very high	96	Very high	81 Å²	81	81.3 Å²	81.3	31%	0.306	39%	0.39	S	S	.	.	H	α-helix	trans	-61.8	-36.5	176.4	-77.6	-170.9	-177	105.6	1.5	113	C206 E224 S225 K226 A232	C206-R228 HydrophobicContact CB-CB 4.13Å; E224-R228 VanDerWaalsContact CD-CZ 3.43Å; E224-R228 VanDerWaalsContact CD-NH2 3.31Å; E224-R228 WeakPolarHBondContact O-CG 3.39Å; E224-R228 PolarHBondContact O-N 2.92Å; E224-R228 IonicContact OE1-CZ 2.76Å; E224-R228 IonicContact OE1-NH1 2.74Å; E224-R228 PolarHBondContact OE1-NH1 3.3Å; E224-R228 IonicContact OE1-NH2 3.83Å; E224-R228 PolarHBondContact OE1-NH2 3.44Å; E224-R228 IonicContact OE2-CZ 3.69Å; E224-R228 IonicContact OE2-NH1 2.79Å; E224-R228 PolarHBondContact OE2-NH1 3.24Å; E224-R228 IonicContact OE2-NH2 3.8Å; S225-R228 PolarHBondContact O-N 3.32Å; K226-R228 PolarHBondContact O-N 2.93Å; R228-A232 VanDerWaalsContact O-CB 3.28Å; R228-A232 WeakPolarHBondContact O-CB 3.45Å; R228-A232 PolarHBondContact O-N 3.04Å
229	I	96.6	Very high	96.1	Very high	30 Å²	30	83.7 Å²	83.7	15%	0.154	40%	0.401	C	S	.	.	H	α-helix	trans	-66.4	-46	175.6	-69.8	162.9	0	0	0	110.1	H221 S225 K226 W227 V231 A232 V233	H221-I229 VanDerWaalsContact CE1-CD1 3.42Å; H221-I229 WeakPolarHBondContact CE1-CD1 3.33Å; S225-I229 VanDerWaalsContact O-CG1 3.28Å; S225-I229 WeakPolarHBondContact O-CG1 3.16Å; S225-I229 PolarHBondContact O-N 3.01Å; K226-I229 WeakPolarHBondContact O-CB 3.38Å; K226-I229 PolarHBondContact O-N 2.89Å; K226-I229 VanDerWaalsContact O-N 3.16Å; W227-I229 VanDerWaalsContact C-N 3.31Å; W227-I229 PolarHBondContact O-N 3.27Å; I229-V231 PolarHBondContact O-N 2.91Å; I229-A232 WeakPolarHBondContact O-CB 3.43Å; I229-A232 PolarHBondContact O-N 3.24Å; I229-A232 VanDerWaalsContact O-N 3.16Å; I229-V233 HydrophobicContact CG2-CG2 4.29Å; I229-V233 VanDerWaalsContact O-CG2 3.31Å; I229-V233 WeakPolarHBondContact O-CG2 3.43Å; I229-V233 PolarHBondContact O-N 2.91Å
230	E	96.8	Very high	96.2	Very high	93 Å²	93	74 Å²	74	44%	0.435	36%	0.359	S	S	.	.	H	α-helix	trans	-60.5	-44.6	177.1	-70.9	175.4	-161	0	0	111.9	K226 W227 A232 V233 R234	K226-E230 PolarHBondContact O-N 3.03Å; W227-E230 PolarHBondContact O-N 3.03Å; E230-A232 VanDerWaalsContact C-N 3.32Å; E230-A232 PolarHBondContact O-N 3.13Å; E230-V233 PolarHBondContact O-N 3.48Å; E230-R234 WeakPolarHBondContact O-CG 3.38Å; E230-R234 PolarHBondContact O-N 3.45Å
231	V	96.2	Very high	96.3	Very high	59 Å²	59	69.9 Å²	69.9	36%	0.358	35%	0.346	S	S	.	.	H	α-helix	trans	-60.9	-41.9	174.4	171.6	0	0	0	0	111	W227 I229 A235	W227-V231 HydrophobicContact CD2-CG2 4.41Å; W227-V231 HydrophobicContact CZ2-CG2 4.38Å; W227-V231 VanDerWaalsContact O-CG2 3.31Å; W227-V231 WeakPolarHBondContact O-CG2 3.47Å; W227-V231 PolarHBondContact O-N 2.81Å; I229-V231 PolarHBondContact O-N 2.91Å; V231-A235 WeakPolarHBondContact O-CB 2.93Å; V231-A235 PolarHBondContact O-N 3.29Å
232	A	96.3	Very high	96.5	Very high	1 Å²	1	76.2 Å²	76.2	1%	0.008	37%	0.368	C	S	.	.	H	α-helix	trans	-64.7	-45.4	177	0	0	0	0	0	112	F205 R207 R228 I229 E230 A235 I236	F205-A232 VanDerWaalsContact O-CB 3.3Å; F205-A232 WeakPolarHBondContact O-CB 3.39Å; R207-A232 HydrophobicContact CB-CB 3.72Å; R228-A232 VanDerWaalsContact O-CB 3.28Å; R228-A232 WeakPolarHBondContact O-CB 3.45Å; R228-A232 PolarHBondContact O-N 3.04Å; I229-A232 WeakPolarHBondContact O-CB 3.43Å; I229-A232 PolarHBondContact O-N 3.24Å; I229-A232 VanDerWaalsContact O-N 3.16Å; E230-A232 VanDerWaalsContact C-N 3.32Å; E230-A232 PolarHBondContact O-N 3.13Å; A232-A235 PolarHBondContact O-N 3.26Å; A232-I236 VanDerWaalsContact O-CG1 3.32Å; A232-I236 WeakPolarHBondContact O-CG1 3.26Å; A232-I236 PolarHBondContact O-N 3.49Å
233	V	97	Very high	96.6	Very high	39 Å²	39	77 Å²	77	24%	0.236	37%	0.365	C	S	.	.	H	α-helix	trans	-59.2	-50.1	176.7	170.2	0	0	0	0	110.5	K203 I229 E230 A235 I236 D237	K203-V233 HydrophobicContact CB-CG2 4.13Å; K203-V233 HydrophobicContact CG-CG2 4.31Å; I229-V233 HydrophobicContact CG2-CG2 4.29Å; I229-V233 VanDerWaalsContact O-CG2 3.31Å; I229-V233 WeakPolarHBondContact O-CG2 3.43Å; I229-V233 PolarHBondContact O-N 2.91Å; E230-V233 PolarHBondContact O-N 3.48Å; V233-A235 VanDerWaalsContact C-N 3.26Å; V233-A235 PolarHBondContact O-N 3.06Å; V233-I236 PolarHBondContact O-N 3.21Å; V233-I236 VanDerWaalsContact O-N 3.16Å; V233-D237 PolarHBondContact O-N 3.18Å
234	R	97.3	Very high	96.6	Very high	165 Å²	165	73.9 Å²	73.9	62%	0.623	35%	0.346	S	S	*	.	H	α-helix	trans	-57.5	-40.2	176.7	-72.3	179.1	-172.5	179.1	6.2	112	E230 D237 A238	E230-R234 WeakPolarHBondContact O-CG 3.38Å; E230-R234 PolarHBondContact O-N 3.45Å; R234-D237 PolarHBondContact O-N 2.98Å; R234-A238 WeakPolarHBondContact O-CB 3.4Å; R234-A238 PolarHBondContact O-N 3.49Å
235	A	96.1	Very high	96.6	Very high	23 Å²	23	76.7 Å²	76.7	19%	0.19	36%	0.356	C	S	.	.	H	α-helix	trans	-72.3	-34.7	179.6	0	0	0	0	0	113.1	R207 V231 A232 V233 L239	R207-A235 VanDerWaalsContact CZ-CB 3.4Å; R207-A235 VanDerWaalsContact NH2-CB 3.34Å; V231-A235 WeakPolarHBondContact O-CB 2.93Å; V231-A235 PolarHBondContact O-N 3.29Å; A232-A235 PolarHBondContact O-N 3.26Å; V233-A235 VanDerWaalsContact C-N 3.26Å; V233-A235 PolarHBondContact O-N 3.06Å; A235-L239 WeakPolarHBondContact O-CB 3.4Å; A235-L239 PolarHBondContact O-N 2.84Å
236	I	96.5	Very high	96.6	Very high	4 Å²	4	81.7 Å²	81.7	2%	0.021	38%	0.377	C	S	.	.	H	α-helix	trans	-64.9	-46.8	171.4	-70.6	163.2	0	0	0	110	Q199 M202 K203 F215 A232 V233 A238 L239 I240	Q199-I236 HydrophobicContact CB-CG2 4.14Å; M202-I236 HydrophobicContact CB-CD1 3.78Å; K203-I236 HydrophobicContact CG-CD1 4.13Å; K203-I236 HydrophobicContact CG-CG2 4.24Å; F215-I236 HydrophobicContact CE1-CD1 4.04Å; F215-I236 HydrophobicContact CE1-CG1 4.49Å; A232-I236 VanDerWaalsContact O-CG1 3.32Å; A232-I236 WeakPolarHBondContact O-CG1 3.26Å; A232-I236 PolarHBondContact O-N 3.49Å; V233-I236 PolarHBondContact O-N 3.21Å; V233-I236 VanDerWaalsContact O-N 3.16Å; I236-A238 VanDerWaalsContact C-N 3.34Å; I236-A238 PolarHBondContact O-N 3.34Å; I236-L239 WeakPolarHBondContact O-CB 3.26Å; I236-L239 PolarHBondContact O-N 2.87Å; I236-L239 VanDerWaalsContact O-N 3.12Å; I236-I240 HydrophobicContact CG2-CD1 3.75Å; I236-I240 HydrophobicContact CG2-CG1 4.38Å; I236-I240 WeakPolarHBondContact O-CG1 3.43Å; I236-I240 PolarHBondContact O-N 3.35Å
237	D	97.5	Very high	96.5	Very high	65 Å²	65	76.3 Å²	76.3	35%	0.348	35%	0.354	S	S	.	.	H	α-helix	trans	-62.4	-41.9	178.9	-73.3	-30.6	0	0	0	111.8	K203 V233 R234 L239 I240 A241	K203-D237 WeakPolarHBondContact CE-OD1 3.5Å; K203-D237 IonicContact NZ-OD1 3.2Å; K203-D237 PolarHBondContact NZ-OD1 3.39Å; K203-D237 IonicContact NZ-OD2 2.97Å; V233-D237 PolarHBondContact O-N 3.18Å; R234-D237 PolarHBondContact O-N 2.98Å; D237-L239 VanDerWaalsContact C-N 3.33Å; D237-L239 PolarHBondContact O-N 3.44Å; D237-I240 PolarHBondContact O-N 3.49Å; D237-A241 WeakPolarHBondContact O-CB 3.29Å; D237-A241 PolarHBondContact O-N 3.27Å
238	A	97.4	Very high	96.4	Very high	61 Å²	61	71.6 Å²	71.6	50%	0.504	34%	0.338	S	S	.	.	H	α-helix	trans	-62	-39.1	173.3	0	0	0	0	0	112.4	R234 I236 A241 R242	R234-A238 WeakPolarHBondContact O-CB 3.4Å; R234-A238 PolarHBondContact O-N 3.49Å; I236-A238 VanDerWaalsContact C-N 3.34Å; I236-A238 PolarHBondContact O-N 3.34Å; A238-A241 PolarHBondContact O-N 3.06Å; A238-R242 WeakPolarHBondContact O-CB 3.43Å; A238-R242 PolarHBondContact O-N 3.48Å
239	L	96.1	Very high	96.2	Very high	77 Å²	77	70.7 Å²	70.7	40%	0.403	34%	0.342	S	S	.	.	H	α-helix	trans	-64.9	-45.9	175.9	179.8	63.3	0	0	0	111.5	W195 A235 I236 D237 R242 R243	W195-L239 HydrophobicContact CH2-CG 4.08Å; W195-L239 HydrophobicContact CZ2-CD2 4.21Å; W195-L239 HydrophobicContact CZ2-CG 4.09Å; A235-L239 WeakPolarHBondContact O-CB 3.4Å; A235-L239 PolarHBondContact O-N 2.84Å; I236-L239 WeakPolarHBondContact O-CB 3.26Å; I236-L239 PolarHBondContact O-N 2.87Å; I236-L239 VanDerWaalsContact O-N 3.12Å; D237-L239 VanDerWaalsContact C-N 3.33Å; D237-L239 PolarHBondContact O-N 3.44Å; L239-R242 PolarHBondContact O-N 2.95Å; L239-R243 WeakPolarHBondContact O-CB 3.4Å; L239-R243 PolarHBondContact O-N 2.79Å
240	I	97	Very high	95.9	Very high	8 Å²	8	73.1 Å²	73.1	4%	0.041	35%	0.353	C	S	.	.	H	α-helix	trans	-60.8	-46.2	176.5	-67.6	167.8	0	0	0	110.4	F192 W195 K196 Q199 E200 I236 D237 R243 R244	F192-I240 HydrophobicContact CZ-CG2 4.05Å; W195-I240 HydrophobicContact CH2-CG1 4.12Å; W195-I240 HydrophobicContact CZ3-CB 4.34Å; W195-I240 HydrophobicContact CZ3-CG1 4Å; K196-I240 HydrophobicContact CD-CG2 4.35Å; K196-I240 HydrophobicContact CG-CD1 4.28Å; K196-I240 HydrophobicContact CG-CG2 4.08Å; Q199-I240 HydrophobicContact CB-CD1 3.98Å; Q199-I240 HydrophobicContact CB-CG1 4.07Å; Q199-I240 HydrophobicContact CG-CG1 4.49Å; E200-I240 HydrophobicContact CG-CD1 4.08Å; I236-I240 HydrophobicContact CG2-CD1 3.75Å; I236-I240 HydrophobicContact CG2-CG1 4.38Å; I236-I240 WeakPolarHBondContact O-CG1 3.43Å; I236-I240 PolarHBondContact O-N 3.35Å; D237-I240 PolarHBondContact O-N 3.49Å; I240-R243 PolarHBondContact O-N 2.74Å; I240-R244 WeakPolarHBondContact O-CB 3.39Å; I240-R244 PolarHBondContact O-N 3.35Å
241	A	96.9	Very high	95.7	Very high	56 Å²	56	69.2 Å²	69.2	46%	0.463	33%	0.334	S	S	.	.	H	α-helix	trans	-62.6	-44.3	178.3	0	0	0	0	0	112.2	D237 A238 R243 R244 K245	D237-A241 WeakPolarHBondContact O-CB 3.29Å; D237-A241 PolarHBondContact O-N 3.27Å; A238-A241 PolarHBondContact O-N 3.06Å; A241-R243 PolarHBondContact O-N 2.9Å; A241-R244 PolarHBondContact O-N 2.96Å; A241-K245 PolarHBondContact O-N 3.46Å
242	R	97.4	Very high	95.5	Very high	201 Å²	201	69.8 Å²	69.8	76%	0.758	33%	0.333	S	S	*	.	H	α-helix	trans	-61.1	-44.7	176.3	-175.5	-179.7	-179	-174.2	1.5	111.5	A238 L239 K245 K246	A238-R242 WeakPolarHBondContact O-CB 3.43Å; A238-R242 PolarHBondContact O-N 3.48Å; L239-R242 PolarHBondContact O-N 2.95Å; R242-K245 PolarHBondContact O-N 2.93Å; R242-K246 WeakPolarHBondContact O-CB 3.35Å; R242-K246 PolarHBondContact O-N 3.49Å
243	R	96.7	Very high	95.3	Very high	96 Å²	96	75.7 Å²	75.7	36%	0.362	36%	0.361	S	S	.	.	H	α-helix	trans	-66.7	-40.9	179.1	-174.3	59.2	171.8	141.6	-5.6	111.6	F192 W195 L239 I240 A241 K246 L247	F192-R243 HydrophobicContact CD2-CG 4.11Å; F192-R243 HydrophobicContact CE2-CB 4.14Å; F192-R243 HydrophobicContact CE2-CG 3.98Å; W195-R243 HydrophobicContact CE3-CG 4.16Å; W195-R243 HydrophobicContact CH2-CB 3.59Å; W195-R243 HydrophobicContact CH2-CG 3.9Å; W195-R243 HydrophobicContact CZ2-CB 4.38Å; W195-R243 HydrophobicContact CZ2-CG 4.39Å; W195-R243 HydrophobicContact CZ3-CB 3.7Å; W195-R243 HydrophobicContact CZ3-CG 3.79Å; L239-R243 WeakPolarHBondContact O-CB 3.4Å; L239-R243 PolarHBondContact O-N 2.79Å; I240-R243 PolarHBondContact O-N 2.74Å; A241-R243 PolarHBondContact O-N 2.9Å; R243-K246 PolarHBondContact O-N 3.37Å; R243-L247 HydrophobicContact CG-CD1 4.3Å; R243-L247 WeakPolarHBondContact O-CG 3.29Å; R243-L247 PolarHBondContact O-N 3.44Å
244	R	96.1	Very high	94.8	Very high	105 Å²	105	76.6 Å²	76.6	40%	0.396	36%	0.364	S	S	.	.	H	α-helix	trans	-57.8	-50.1	174	-171.4	-174.4	-63.3	-146.3	0.1	111.3	M1 F192 I240 A241 K246 L247 E248	M1-R244 HydrophobicContact SD-CG 4.16Å; F192-R244 HydrophobicContact CE1-CB 4.34Å; F192-R244 HydrophobicContact CE1-CG 4.33Å; F192-R244 HydrophobicContact CE2-CB 4.16Å; F192-R244 HydrophobicContact CZ-CB 3.68Å; F192-R244 HydrophobicContact CZ-CG 4.15Å; I240-R244 WeakPolarHBondContact O-CB 3.39Å; I240-R244 PolarHBondContact O-N 3.35Å; A241-R244 PolarHBondContact O-N 2.96Å; R244-K246 VanDerWaalsContact C-N 3.34Å; R244-K246 PolarHBondContact O-N 3.36Å; R244-L247 PolarHBondContact O-N 2.79Å; R244-E248 PolarHBondContact O-N 2.92Å
245	K	95.9	Very high	94.4	Very high	158 Å²	158	69.7 Å²	69.7	69%	0.687	34%	0.34	S	S	*	.	H	α-helix	trans	-59.3	-45.1	178.8	-174.2	176.5	179.7	177.7	0	111.5	A241 R242 L247 E248 T249	A241-K245 PolarHBondContact O-N 3.46Å; R242-K245 PolarHBondContact O-N 2.93Å; K245-L247 VanDerWaalsContact C-N 3.34Å; K245-L247 PolarHBondContact O-N 3.45Å; K245-E248 PolarHBondContact O-N 2.96Å; K245-T249 WeakPolarHBondContact O-CG2 3.3Å; K245-T249 PolarHBondContact O-N 3.23Å; K245-T249 PolarHBondContact O-OG1 3.41Å
246	K	95.8	Very high	94.1	Very high	113 Å²	113	72.3 Å²	72.3	49%	0.491	35%	0.348	S	S	.	.	H	α-helix	trans	-60.5	-41.2	177.6	-179.8	169.7	175.4	172	0	112.5	R242 R243 R244 T249 E250	R242-K246 WeakPolarHBondContact O-CB 3.35Å; R242-K246 PolarHBondContact O-N 3.49Å; R243-K246 PolarHBondContact O-N 3.37Å; R244-K246 VanDerWaalsContact C-N 3.34Å; R244-K246 PolarHBondContact O-N 3.36Å; K246-T249 WeakPolarHBondContact CA-OG1 3.44Å; K246-T249 PolarHBondContact O-OG1 3.39Å; K246-E250 WeakPolarHBondContact CE-OE1 3.47Å; K246-E250 HydrophobicContact CG-CG 4.45Å; K246-E250 WeakPolarHBondContact CG-OE1 3.32Å; K246-E250 IonicContact NZ-OE1 2.99Å; K246-E250 WeakPolarHBondContact O-CB 3.37Å; K246-E250 VanDerWaalsContact O-CG 3.25Å; K246-E250 WeakPolarHBondContact O-CG 3.22Å; K246-E250 PolarHBondContact O-N 3.15Å
247	L	93.8	Very high	93.6	Very high	10 Å²	10	74 Å²	74	5%	0.052	36%	0.363	C	S	.	.	H	α-helix	trans	-66.7	-40.4	177.3	-76.7	165.4	0	0	0	112.5	M1 F192 R243 R244 K245 F251	M1-L247 HydrophobicContact CE-CB 3.97Å; F192-L247 HydrophobicContact CB-CD1 3.62Å; F192-L247 HydrophobicContact CD2-CD1 3.24Å; F192-L247 HydrophobicContact CE2-CD1 4.07Å; F192-L247 HydrophobicContact CG-CD1 3.59Å; R243-L247 HydrophobicContact CG-CD1 4.3Å; R243-L247 WeakPolarHBondContact O-CG 3.29Å; R243-L247 PolarHBondContact O-N 3.44Å; R244-L247 PolarHBondContact O-N 2.79Å; K245-L247 VanDerWaalsContact C-N 3.34Å; K245-L247 PolarHBondContact O-N 3.45Å; L247-F251 VanDerWaalsContact O-CB 3.29Å; L247-F251 WeakPolarHBondContact O-CB 3.42Å; L247-F251 PolarHBondContact O-N 2.86Å
248	E	93.5	Very high	93	Very high	58 Å²	58	75 Å²	75	27%	0.271	36%	0.361	S	S	.	.	H	α-helix	trans	-64.4	-43.1	177.2	-165	77.1	-124.7	0	0	111.2	M1 R244 K245 F251 E252	M1-E248 WeakPolarHBondContact CA-OE2 3.34Å; M1-E248 WeakPolarHBondContact CB-OE2 3.4Å; M1-E248 WeakPolarHBondContact CG-OE2 3.48Å; M1-E248 PolarHBondContact N-OE2 3.16Å; R244-E248 PolarHBondContact O-N 2.92Å; K245-E248 PolarHBondContact O-N 2.96Å; E248-F251 PolarHBondContact O-N 3.5Å; E248-E252 WeakPolarHBondContact O-CB 3.33Å; E248-E252 PolarHBondContact O-N 3.36Å
249	T	93.6	Very high	92.2	Very high	62 Å²	62	78.9 Å²	78.9	38%	0.38	36%	0.363	S	S	.	.	H	α-helix	trans	-65.6	-45.3	177.3	54.2	0	0	0	0	112.2	K245 K246 F251 E252 E253	K245-T249 WeakPolarHBondContact O-CG2 3.3Å; K245-T249 PolarHBondContact O-N 3.23Å; K245-T249 PolarHBondContact O-OG1 3.41Å; K246-T249 WeakPolarHBondContact CA-OG1 3.44Å; K246-T249 PolarHBondContact O-OG1 3.39Å; T249-F251 VanDerWaalsContact C-N 3.28Å; T249-F251 PolarHBondContact O-N 3.32Å; T249-E252 PolarHBondContact O-N 3.09Å; T249-E253 WeakPolarHBondContact O-CB 3.34Å; T249-E253 VanDerWaalsContact O-CG 3.28Å; T249-E253 WeakPolarHBondContact O-CG 3.4Å; T249-E253 PolarHBondContact O-N 3.19Å
250	E	90.7	Very high	91.7	Very high	81 Å²	81	83.4 Å²	83.4	38%	0.379	38%	0.375	S	S	.	.	H	α-helix	trans	-61.1	-38	176.8	-74.9	171.5	177.1	0	0	111.6	K246 N254	K246-E250 WeakPolarHBondContact CE-OE1 3.47Å; K246-E250 HydrophobicContact CG-CG 4.45Å; K246-E250 WeakPolarHBondContact CG-OE1 3.32Å; K246-E250 IonicContact NZ-OE1 2.99Å; K246-E250 WeakPolarHBondContact O-CB 3.37Å; K246-E250 VanDerWaalsContact O-CG 3.25Å; K246-E250 WeakPolarHBondContact O-CG 3.22Å; K246-E250 PolarHBondContact O-N 3.15Å; E250-N254 WeakPolarHBondContact O-CB 3.25Å; E250-N254 PolarHBondContact O-N 2.99Å; E250-N254 VanDerWaalsContact O-N 3.13Å
251	F	92.7	Very high	90.8	Very high	11 Å²	11	88.3 Å²	88.3	5%	0.048	40%	0.4	C	S	.	.	H	α-helix	trans	-69	-45.1	177	-179.2	-101	0	0	0	112.1	I181 K185 L188 L247 E248 T249 N254 L255	I181-F251 HydrophobicContact CG2-CE2 4.29Å; I181-F251 HydrophobicContact CG2-CZ 3.64Å; K185-F251 HydrophobicContact CB-CD2 4.18Å; K185-F251 HydrophobicContact CB-CE1 4.23Å; K185-F251 HydrophobicContact CB-CE2 3.41Å; K185-F251 VanDerWaalsContact CB-CE2 3.41Å; K185-F251 HydrophobicContact CB-CZ 3.44Å; K185-F251 VanDerWaalsContact CB-CZ 3.44Å; K185-F251 HydrophobicContact CD-CD1 4.35Å; K185-F251 HydrophobicContact CD-CE1 3.62Å; K185-F251 HydrophobicContact CD-CE2 4.37Å; K185-F251 HydrophobicContact CD-CZ 3.63Å; K185-F251 HydrophobicContact CG-CD1 4.26Å; K185-F251 HydrophobicContact CG-CD2 4.23Å; K185-F251 HydrophobicContact CG-CE1 3.82Å; K185-F251 HydrophobicContact CG-CE2 3.79Å; K185-F251 HydrophobicContact CG-CG 4.45Å; K185-F251 HydrophobicContact CG-CZ 3.57Å; L188-F251 HydrophobicContact CD1-CD2 4.02Å; L247-F251 VanDerWaalsContact O-CB 3.29Å; L247-F251 WeakPolarHBondContact O-CB 3.42Å; L247-F251 PolarHBondContact O-N 2.86Å; E248-F251 PolarHBondContact O-N 3.5Å; T249-F251 VanDerWaalsContact C-N 3.28Å; T249-F251 PolarHBondContact O-N 3.32Å; F251-N254 WeakPolarHBondContact O-CB 3.4Å; F251-N254 PolarHBondContact O-N 3.14Å; F251-L255 WeakPolarHBondContact O-CB 3.3Å; F251-L255 PolarHBondContact O-N 3.12Å
252	E	91.8	Very high	89.7	Confident	71 Å²	71	87.6 Å²	87.6	33%	0.332	39%	0.394	S	S	.	.	H	α-helix	trans	-64.6	-40.4	178.2	-176.6	55.1	-147.6	0	0	111.9	E248 T249 N254 L255 Q256	E248-E252 WeakPolarHBondContact O-CB 3.33Å; E248-E252 PolarHBondContact O-N 3.36Å; T249-E252 PolarHBondContact O-N 3.09Å; E252-N254 VanDerWaalsContact C-N 3.34Å; E252-N254 PolarHBondContact O-N 2.85Å; E252-L255 WeakPolarHBondContact O-CB 3.28Å; E252-L255 PolarHBondContact O-N 3.44Å; E252-Q256 WeakPolarHBondContact O-CG 3.07Å; E252-Q256 PolarHBondContact O-N 2.88Å; E252-Q256 PolarHBondContact OE1-NE2 3.34Å; E252-Q256 VanDerWaalsContact OE1-NE2 3.09Å
253	E	91.2	Very high	88.3	Confident	126 Å²	126	82.1 Å²	82.1	59%	0.589	39%	0.386	S	S	*	.	H	α-helix	trans	-60.8	-41.9	173	-74.2	170.3	-167.7	0	0	111.8	T249 Q256 A257	T249-E253 WeakPolarHBondContact O-CB 3.34Å; T249-E253 VanDerWaalsContact O-CG 3.28Å; T249-E253 WeakPolarHBondContact O-CG 3.4Å; T249-E253 PolarHBondContact O-N 3.19Å; E253-Q256 PolarHBondContact O-N 3.42Å; E253-A257 WeakPolarHBondContact O-CB 3.4Å; E253-A257 PolarHBondContact O-N 3.19Å
254	N	86.9	Confident	86.7	Confident	58 Å²	58	82 Å²	82	31%	0.31	40%	0.4	S	S	.	.	H	α-helix	trans	-64.6	-41	175.8	-167.3	-95.3	0	0	0	111.9	Q184 E250 F251 E252 A257 R258	Q184-N254 PolarHBondContact NE2-OD1 2.95Å; Q184-N254 PolarHBondContact OE1-OD1 2.98Å; E250-N254 WeakPolarHBondContact O-CB 3.25Å; E250-N254 PolarHBondContact O-N 2.99Å; E250-N254 VanDerWaalsContact O-N 3.13Å; F251-N254 WeakPolarHBondContact O-CB 3.4Å; F251-N254 PolarHBondContact O-N 3.14Å; E252-N254 VanDerWaalsContact C-N 3.34Å; E252-N254 PolarHBondContact O-N 2.85Å; N254-A257 PolarHBondContact O-N 2.78Å; N254-R258 WeakPolarHBondContact O-CG 3.34Å; N254-R258 PolarHBondContact O-N 3.3Å; N254-R258 PolarHBondContact OD1-NE 3.35Å; N254-R258 VanDerWaalsContact OD1-NE 3.07Å
255	L	89.4	Confident	85	Confident	20 Å²	20	82.5 Å²	82.5	11%	0.105	41%	0.411	C	S	.	.	H	α-helix	trans	-62.6	-45.9	176.4	-179.8	56.9	0	0	0	111.4	I181 F251 E252 R258 R259	I181-L255 HydrophobicContact CD1-CD1 3.44Å; I181-L255 VanDerWaalsContact CD1-CD1 3.44Å; I181-L255 HydrophobicContact CG1-CD1 4.05Å; I181-L255 HydrophobicContact CG2-CD1 3.83Å; F251-L255 WeakPolarHBondContact O-CB 3.3Å; F251-L255 PolarHBondContact O-N 3.12Å; E252-L255 WeakPolarHBondContact O-CB 3.28Å; E252-L255 PolarHBondContact O-N 3.44Å; L255-R258 PolarHBondContact O-N 3.02Å; L255-R259 WeakPolarHBondContact O-CG 3.38Å; L255-R259 PolarHBondContact O-N 3.5Å
256	Q	88.5	Confident	83.1	Confident	78 Å²	78	78.5 Å²	78.5	36%	0.364	40%	0.397	S	S	.	.	H	α-helix	trans	-63.2	-41	175.6	-71.4	178.1	15.6	0	0	112	E252 E253 R258 R259 R260	E252-Q256 WeakPolarHBondContact O-CG 3.07Å; E252-Q256 PolarHBondContact O-N 2.88Å; E252-Q256 PolarHBondContact OE1-NE2 3.34Å; E252-Q256 VanDerWaalsContact OE1-NE2 3.09Å; E253-Q256 PolarHBondContact O-N 3.42Å; Q256-R258 VanDerWaalsContact C-N 3.34Å; Q256-R258 PolarHBondContact O-N 3.45Å; Q256-R259 PolarHBondContact O-N 2.88Å; Q256-R260 WeakPolarHBondContact O-CG 3.31Å; Q256-R260 PolarHBondContact O-N 3.43Å
257	A	87.5	Confident	80.5	Confident	40 Å²	40	78.1 Å²	78.1	33%	0.331	40%	0.4	S	S	.	.	H	α-helix	trans	-60.1	-43.5	174.7	0	0	0	0	0	111.8	E253 N254 R260 I261	E253-A257 WeakPolarHBondContact O-CB 3.4Å; E253-A257 PolarHBondContact O-N 3.19Å; N254-A257 PolarHBondContact O-N 2.78Å; A257-R260 PolarHBondContact O-N 3.08Å; A257-I261 WeakPolarHBondContact O-CG1 3.31Å; A257-I261 PolarHBondContact O-N 3.3Å; A257-I261 VanDerWaalsContact O-N 3.15Å
258	R	84.2	Confident	78.3	Confident	85 Å²	85	83.6 Å²	83.6	32%	0.321	44%	0.436	S	S	.	.	H	α-helix	trans	-62.5	-42.3	175.1	-72.8	175.6	-179.5	-84.6	7	112.5	N254 L255 Q256 I261 A262	N254-R258 WeakPolarHBondContact O-CG 3.34Å; N254-R258 PolarHBondContact O-N 3.3Å; N254-R258 PolarHBondContact OD1-NE 3.35Å; N254-R258 VanDerWaalsContact OD1-NE 3.07Å; L255-R258 PolarHBondContact O-N 3.02Å; Q256-R258 VanDerWaalsContact C-N 3.34Å; Q256-R258 PolarHBondContact O-N 3.45Å; R258-I261 PolarHBondContact O-N 3.49Å; R258-A262 PolarHBondContact O-N 2.94Å
259	R	81.1	Confident	75.9	Confident	143 Å²	143	84.9 Å²	84.9	54%	0.54	45%	0.452	S	S	.	.	H	α-helix	trans	-63.4	-40.9	176.1	-69.8	-172.3	-136.5	-152.8	9.2	112.2	L255 Q256 I261 A262 S263	L255-R259 WeakPolarHBondContact O-CG 3.38Å; L255-R259 PolarHBondContact O-N 3.5Å; Q256-R259 PolarHBondContact O-N 2.88Å; R259-I261 VanDerWaalsContact C-N 3.32Å; R259-I261 PolarHBondContact O-N 3.46Å; R259-A262 PolarHBondContact O-N 3.15Å; R259-S263 PolarHBondContact O-N 3.41Å; R259-S263 PolarHBondContact O-OG 2.71Å
260	R	84.1	Confident	73.5	Confident	172 Å²	172	88.9 Å²	88.9	65%	0.649	47%	0.471	S	S	*	.	H	α-helix	trans	-59.7	-42.4	175.7	-72.3	174.7	-173.5	152.9	5.9	112	Q256 A257 A262 S263 S264	Q256-R260 WeakPolarHBondContact O-CG 3.31Å; Q256-R260 PolarHBondContact O-N 3.43Å; A257-R260 PolarHBondContact O-N 3.08Å; R260-A262 VanDerWaalsContact C-N 3.34Å; R260-S263 PolarHBondContact O-N 2.96Å; R260-S264 WeakPolarHBondContact O-CB 3.47Å; R260-S264 PolarHBondContact O-N 3.07Å
261	I	79.4	Confident	71.1	Confident	110 Å²	110	92.1 Å²	92.1	56%	0.564	49%	0.491	S	S	*	.	H	α-helix	trans	-63.7	-41.9	176.2	-63.9	163.4	0	0	0	110.5	A257 R258 R259 N265	A257-I261 WeakPolarHBondContact O-CG1 3.31Å; A257-I261 PolarHBondContact O-N 3.3Å; A257-I261 VanDerWaalsContact O-N 3.15Å; R258-I261 PolarHBondContact O-N 3.49Å; R259-I261 VanDerWaalsContact C-N 3.32Å; R259-I261 PolarHBondContact O-N 3.46Å; I261-N265 PolarHBondContact O-ND2 2.88Å
262	A	72.4	Confident	68.7	Low	42 Å²	42	99.8 Å²	99.8	35%	0.347	52%	0.524	S	S	.	.	H	α-helix	trans	-65.9	-43.7	177.3	0	0	0	0	0	112.6	R258 R259 R260 S264 N265 N266	R258-A262 PolarHBondContact O-N 2.94Å; R259-A262 PolarHBondContact O-N 3.15Å; R260-A262 VanDerWaalsContact C-N 3.34Å; A262-S264 VanDerWaalsContact C-N 3.35Å; A262-S264 PolarHBondContact O-N 3.49Å; A262-N265 PolarHBondContact O-N 2.87Å; A262-N266 PolarHBondContact O-ND2 3.08Å; A262-N266 VanDerWaalsContact O-ND2 3.13Å
263	S	68.1	Low	66.3	Low	85 Å²	85	101.6 Å²	101.6	59%	0.594	54%	0.54	S	S	*	.	H	α-helix	trans	-65.2	-35.3	178	-63.6	0	0	0	0	113.1	R259 R260 N265 N266	R259-S263 PolarHBondContact O-N 3.41Å; R259-S263 PolarHBondContact O-OG 2.71Å; R260-S263 PolarHBondContact O-N 2.96Å; S263-N265 PolarHBondContact O-N 2.65Å; S263-N266 PolarHBondContact O-N 3.22Å
264	S	63.3	Low	63.8	Low	93 Å²	93	102.8 Å²	102.8	65%	0.65	55%	0.55	S	S	*	*	H	α-helix	trans	-66.4	-20.4	177.9	-170.3	0	0	0	0	113.5	R260 A262	R260-S264 WeakPolarHBondContact O-CB 3.47Å; R260-S264 PolarHBondContact O-N 3.07Å; A262-S264 VanDerWaalsContact C-N 3.35Å; A262-S264 PolarHBondContact O-N 3.49Å
265	N	60.3	Low	61.6	Low	117 Å²	117	107.3 Å²	107.3	63%	0.626	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.3	2.9	-177.6	-67	-21.6	0	0	0	113	I261 A262 S263	I261-N265 PolarHBondContact O-ND2 2.88Å; A262-N265 PolarHBondContact O-N 2.87Å; S263-N265 PolarHBondContact O-N 2.65Å
266	N	56.3	Low	59.2	Low	74 Å²	74	112 Å²	112	40%	0.396	60%	0.597	S	S	.	*			trans	-99.2	24.4	-176.8	-80.9	-33.6	0	0	0	112.9	A262 S263 P268	A262-N266 PolarHBondContact O-ND2 3.08Å; A262-N266 VanDerWaalsContact O-ND2 3.13Å; S263-N266 PolarHBondContact O-N 3.22Å; N266-P268 WeakPolarHBondContact O-CD 3.42Å
267	D	42	Very low	57	Low	104 Å²	104	115.6 Å²	115.6	56%	0.556	61%	0.614	S	S	*	*			trans	-106.2	90	171.6	-158.4	-7.9	0	0	0	111.9	S269	D267-S269 PolarHBondContact O-N 3.02Å; D267-S269 VanDerWaalsContact OD1-CA 3.31Å; D267-S269 WeakPolarHBondContact OD1-CA 3.49Å; D267-S269 WeakPolarHBondContact OD1-CB 3.28Å; D267-S269 PolarHBondContact OD1-N 3.29Å; D267-S269 PolarHBondContact OD1-OG 3.16Å
268	P	47.9	Very low	55	Low	125 Å²	125	120.6 Å²	120.6	81%	0.812	64%	0.635	S	S	*	*			trans	-73.2	6	163.9	-13.1	27.3	0	0	0	113.8	N266	N266-P268 WeakPolarHBondContact O-CD 3.42Å
269	S	43.1	Very low	53.3	Low	86 Å²	86	120.3 Å²	120.3	60%	0.601	65%	0.646	S	S	*	*			trans	-103.7	3.5	-164.9	85.7	0	0	0	0	116.4	D267 N271	D267-S269 PolarHBondContact O-N 3.02Å; D267-S269 VanDerWaalsContact OD1-CA 3.31Å; D267-S269 WeakPolarHBondContact OD1-CA 3.49Å; D267-S269 WeakPolarHBondContact OD1-CB 3.28Å; D267-S269 PolarHBondContact OD1-N 3.29Å; D267-S269 PolarHBondContact OD1-OG 3.16Å; S269-N271 PolarHBondContact O-N 2.81Å; S269-N271 VanDerWaalsContact O-N 3.12Å
270	D	42.1	Very low	51.6	Low	145 Å²	145	121.7 Å²	121.7	78%	0.775	66%	0.664	S	S	*	*			trans	-84.3	28.3	169.7	-134.9	3.6	0	0	0	113.1	K272	D270-K272 PolarHBondContact O-N 2.94Å; D270-K272 VanDerWaalsContact O-N 3.14Å
271	N	41.2	Very low	50	Low	150 Å²	150	122.4 Å²	122.4	80%	0.802	67%	0.672	S	S	*	*	S	Bend	trans	-82.5	73.8	152.5	-135	14.4	0	0	0	107	S269 V273	S269-N271 PolarHBondContact O-N 2.81Å; S269-N271 VanDerWaalsContact O-N 3.12Å; N271-V273 VanDerWaalsContact C-N 3.26Å; N271-V273 PolarHBondContact O-N 2.99Å
272	K	42.8	Very low	48.3	Very low	171 Å²	171	126.4 Å²	126.4	74%	0.743	69%	0.685	S	S	*	*			trans	-49.7	92.9	168.6	-171.9	-179.8	-173.4	179.9	0	108.9	D270 N274	D270-K272 PolarHBondContact O-N 2.94Å; D270-K272 VanDerWaalsContact O-N 3.14Å; K272-N274 VanDerWaalsContact C-N 3.3Å; K272-N274 PolarHBondContact O-N 3.04Å
273	V	41.4	Very low	47.3	Very low	109 Å²	109	131 Å²	131	66%	0.661	70%	0.704	S	S	*	*			trans	18.4	72.5	130.8	-169.8	0	0	0	0	112.3	N271 K275	N271-V273 VanDerWaalsContact C-N 3.26Å; N271-V273 PolarHBondContact O-N 2.99Å; V273-K275 HydrophobicContact CG1-CB 3.35Å; V273-K275 HydrophobicContact CG1-CD 4.25Å; V273-K275 HydrophobicContact CG1-CG 4.46Å; V273-K275 PolarHBondContact O-N 2.85Å
274	N	38.3	Very low	46.1	Very low	152 Å²	152	134.2 Å²	134.2	81%	0.813	71%	0.709	S	S	*	*			trans	-82.6	63.8	142.2	-80.6	-7.6	0	0	0	106.1	K272 T276	K272-N274 VanDerWaalsContact C-N 3.3Å; K272-N274 PolarHBondContact O-N 3.04Å; N274-T276 PolarHBondContact O-N 2.63Å
275	K	40	Very low	44.9	Very low	153 Å²	153	135.5 Å²	135.5	67%	0.665	71%	0.709	S	S	*	*			trans	-73.4	80.4	155	-167	-179.8	-171.6	-172.9	0	103.5	V273 E277	V273-K275 HydrophobicContact CG1-CB 3.35Å; V273-K275 HydrophobicContact CG1-CD 4.25Å; V273-K275 HydrophobicContact CG1-CG 4.46Å; V273-K275 PolarHBondContact O-N 2.85Å; K275-E277 HydrophobicContact CG-CG 4.28Å; K275-E277 PolarHBondContact O-N 2.96Å
276	T	39.8	Very low	44.1	Very low	119 Å²	119	142 Å²	142	73%	0.73	73%	0.725	S	S	*	*			trans	-61.9	95.9	158.4	-15.6	0	0	0	0	103.9	N274 D278	N274-T276 PolarHBondContact O-N 2.63Å; T276-D278 PolarHBondContact O-N 3.2Å
277	E	41.4	Very low	43.6	Very low	152 Å²	152	144.2 Å²	144.2	71%	0.71	74%	0.737	S	S	*	*			trans	-61.3	73.7	160.3	-67.1	179	161.5	0	0	106.8	K275 S279	K275-E277 HydrophobicContact CG-CG 4.28Å; K275-E277 PolarHBondContact O-N 2.96Å; E277-S279 PolarHBondContact O-N 3.16Å
278	D	45.3	Very low	43.6	Very low	145 Å²	145	147.2 Å²	147.2	78%	0.775	75%	0.748	S	S	*	*			trans	-83	73.2	166.9	-136.9	-5.2	0	0	0	107.4	T276	T276-D278 PolarHBondContact O-N 3.2Å
279	S	48.2	Very low	43.5	Very low	79 Å²	79	150.5 Å²	150.5	55%	0.552	75%	0.752	S	S	*	*			trans	28.8	101.6	137.3	-58.3	0	0	0	0	115.1	E277 K281	E277-S279 PolarHBondContact O-N 3.16Å; S279-K281 PolarHBondContact O-N 3.38Å
280	D	45.8	Very low	43.4	Very low	173 Å²	173	149.5 Å²	149.5	93%	0.925	76%	0.755	S	S	*	*			trans	-46.6	87.4	151.1	-78.8	-50.6	0	0	0	110.4
281	K	51	Low	43.7	Very low	186 Å²	186	152.3 Å²	152.3	81%	0.809	76%	0.76	S	S	*	*			trans	-105.9	86.3	162.7	-87.1	179.7	179.8	164.4	0	108.2	S279 N283	S279-K281 PolarHBondContact O-N 3.38Å; K281-N283 PolarHBondContact O-N 2.92Å
282	K	44.2	Very low	43.6	Very low	194 Å²	194	150.1 Å²	150.1	84%	0.843	76%	0.757	S	S	*	*			trans	-49.2	119	147.1	-74.4	174.4	175.6	171	0	108.5
283	N	50.6	Low	43.6	Very low	139 Å²	139	148.3 Å²	148.3	74%	0.743	76%	0.755	S	S	*	*			trans	-166.9	104.7	150	-91.9	-26.1	0	0	0	106.4	K281	K281-N283 PolarHBondContact O-N 2.92Å
284	H	43.3	Very low	44	Very low	153 Å²	153	151.6 Å²	151.6	71%	0.708	76%	0.76	S	S	*	*				76.3	100.9	99.5	-99.7	-67.9	0	0	0	111.9
285	D	37.7	Very low	43.9	Very low	120 Å²	120	153.1 Å²	153.1	64%	0.642	76%	0.763	S	S	*	*				61.3	100.9	121.9	-149.7	25.4	0	0	0	117.2
286	W	44.3	Very low	43.8	Very low	252 Å²	252	157 Å²	157	96%	0.955	77%	0.773	S	S	*	*			trans	-120.5	79.1	163.4	-75.6	101.7	0	0	0	108.8
287	D	45.8	Very low	43.5	Very low	121 Å²	121	156 Å²	156	65%	0.647	77%	0.772	S	S	*	*			trans	-79.4	127.2	155.2	-91.8	-26.4	0	0	0	109.7
288	E	42.1	Very low	43.1	Very low	168 Å²	168	153.9 Å²	153.9	79%	0.785	77%	0.773	S	S	*	*				42.8	90.2	129.6	-158.6	171.7	-155.7	0	0	118.9
289	H	45.7	Very low	42.7	Very low	194 Å²	194	155.1 Å²	155.1	90%	0.898	78%	0.779	S	S	*	*			trans	-139.6	106	146.4	-79.8	-49.9	0	0	0	111.5
290	G	40.7	Very low	42.2	Very low	65 Å²	65	154.6 Å²	154.6	67%	0.67	79%	0.786	S	S	*	*			trans	-76.2	152.7	160.2	0	0	0	0	0	111.6
291	K	47.8	Very low	42	Very low	203 Å²	203	154 Å²	154	88%	0.883	78%	0.782	S	S	*	*				162.4	142.8	125.1	-88.3	166.6	-175.1	178	0	111.5
292	S	40	Very low	41.5	Very low	105 Å²	105	153 Å²	153	73%	0.734	78%	0.784	S	S	*	*			trans	65.7	109.1	153.8	58.4	0	0	0	0	117.8
293	D	43.4	Very low	41.1	Very low	132 Å²	132	149.5 Å²	149.5	71%	0.706	79%	0.785	S	S	*	*				86	123.2	67.2	-88.2	-0.8	0	0	0	113.4
294	K	48	Very low	40.7	Very low	178 Å²	178	147.4 Å²	147.4	77%	0.774	78%	0.78	S	S	*	*			trans	76.6	142.8	157	-54.4	153.5	-172.8	178.9	0	113.5
295	Q	35.9	Very low	40.7	Very low	184 Å²	184	149 Å²	149	86%	0.86	79%	0.788	S	S	*	*			cis	-166.4	155.1	21.5	-150.3	163.8	-12.7	0	0	109.8
296	W	39.4	Very low	40.8	Very low	235 Å²	235	147 Å²	147	89%	0.89	79%	0.789	S	S	*	*			trans	-52.5	142.7	174.1	-130.3	-74	0	0	0	114.9
297	S	32.2	Very low	40.9	Very low	99 Å²	99	144.8 Å²	144.8	69%	0.692	79%	0.786	S	S	*	*			trans	53.5	133.5	143.5	51.2	0	0	0	0	122.8
298	S	33.7	Very low	40.5	Very low	107 Å²	107	147.8 Å²	147.8	75%	0.748	79%	0.793	S	S	*	*				121.2	150.5	123.9	-149.3	0	0	0	0	113.3
299	L	37.2	Very low	40.8	Very low	171 Å²	171	147.6 Å²	147.6	90%	0.895	80%	0.798	S	S	*	*			trans	85.9	119.3	-179.8	-46.6	171.5	0	0	0	112.8
300	G	38.4	Very low	40.3	Very low	67 Å²	67	142.6 Å²	142.6	69%	0.691	79%	0.785	S	S	*	*			cis	127.1	117.6	24.1	0	0	0	0	0	107.5
301	D	41.1	Very low	40.6	Very low	160 Å²	160	145.1 Å²	145.1	86%	0.856	79%	0.792	S	S	*	*			trans	-5.7	127.3	166.4	-61.2	-47.6	0	0	0	118.9
302	I	40.8	Very low	40.3	Very low	166 Å²	166	146.7 Å²	146.7	85%	0.851	79%	0.793	S	S	*	*			trans	-151.2	105.2	139.4	-3.1	165.6	0	0	0	110.9
303	S	35.5	Very low	40.6	Very low	121 Å²	121	148.7 Å²	148.7	85%	0.846	80%	0.801	S	S	*	*			trans	-89.8	124.6	158.6	172.7	0	0	0	0	107.7
304	S	42.4	Very low	40.5	Very low	94 Å²	94	147.4 Å²	147.4	66%	0.657	80%	0.802	S	S	*	*			trans	-168.3	114	154.3	59	0	0	0	0	111.8
305	E	42.8	Very low	40.7	Very low	186 Å²	186	146 Å²	146	87%	0.869	81%	0.808	S	S	*	*				63.5	116.7	129.1	-61.5	-162.9	153	0	0	121.9
306	A	39.9	Very low	41.4	Very low	80 Å²	80	143.1 Å²	143.1	66%	0.661	80%	0.799	S	S	*	*				70.1	118.6	121.2	0	0	0	0	0	118.9
307	K	46.2	Very low	41.8	Very low	204 Å²	204	138 Å²	138	89%	0.887	79%	0.785	S	S	*	*				176.1	129.1	97.6	-90.1	158.5	-170.2	177.1	0	111.4
308	F	37.4	Very low	42.6	Very low	184 Å²	184	142.9 Å²	142.9	81%	0.807	80%	0.796	S	S	*	*			trans	-66.2	134.8	169.1	-163.6	-99.3	0	0	0	109.8
309	N	47.5	Very low	43	Very low	164 Å²	164	146.2 Å²	146.2	88%	0.877	80%	0.8	S	S	*	*			trans	-142.9	110.1	156.7	-101.3	-13.8	0	0	0	109.5
310	S	36.5	Very low	43.2	Very low	90 Å²	90	141.6 Å²	141.6	63%	0.629	79%	0.793	S	S	*	*			trans	-92.7	118.7	172.9	175.6	0	0	0	0	108.3
311	S	45.8	Very low	43.8	Very low	118 Å²	118	144.2 Å²	144.2	83%	0.825	80%	0.798	S	S	*	*			trans	-116.8	114.3	169.2	-68.1	0	0	0	0	109.9
312	R	43.2	Very low	43.7	Very low	236 Å²	236	140.8 Å²	140.8	89%	0.891	79%	0.786	S	S	*	*			trans	-57.5	142	172.7	-69.3	164.6	153.8	-173.2	-7.3	111.6
313	T	46.4	Very low	44.1	Very low	147 Å²	147	144.2 Å²	144.2	90%	0.902	79%	0.79	S	S	*	*			trans	-130.3	130.6	140.8	53.2	0	0	0	0	109.2
314	S	41.2	Very low	44.7	Very low	104 Å²	104	145.6 Å²	145.6	73%	0.727	79%	0.788	S	S	*	*			trans	-109.5	128.2	-172.9	163.9	0	0	0	0	107.3
315	T	52.2	Low	44.9	Very low	148 Å²	148	146.8 Å²	146.8	91%	0.908	80%	0.797	S	S	*	*			trans	-132.9	133.9	157.1	69.2	0	0	0	0	109.3
316	N	48.9	Very low	45.2	Very low	124 Å²	124	143.6 Å²	143.6	66%	0.663	79%	0.792	S	S	*	*			trans	-106.6	140.1	-158.8	-146.9	9.2	0	0	0	108.8
317	Q	49.4	Very low	45	Very low	129 Å²	129	151 Å²	151	60%	0.603	80%	0.803	S	S	*	*			trans	56.9	126.5	142.1	-70.4	177	53.8	0	0	121.1
318	H	47.7	Very low	44.9	Very low	201 Å²	201	149.9 Å²	149.9	93%	0.931	81%	0.806	S	S	*	*				-156.8	132.5	118.3	-99.5	-71.2	0	0	0	111.5
319	H	42.6	Very low	45	Very low	177 Å²	177	146.1 Å²	146.1	82%	0.819	80%	0.802	S	S	*	*			trans	-80.7	156.5	179.6	-78.1	-77.6	0	0	0	113.5
320	G	41.8	Very low	44.6	Very low	73 Å²	73	145.3 Å²	145.3	75%	0.753	80%	0.798	S	S	*	*			trans	162.3	119.7	158.5	0	0	0	0	0	114.1
321	P	50.6	Low	44.7	Very low	122 Å²	122	147 Å²	147	79%	0.792	80%	0.804	S	S	*	*			trans	-105.6	157.3	-159.1	39.5	-34.1	0	0	0	117
322	S	39.2	Very low	44.4	Very low	88 Å²	88	150.3 Å²	150.3	62%	0.615	80%	0.804	S	S	*	*			trans	55.1	111.4	134.5	-178.6	0	0	0	0	121.4
323	Y	49.2	Very low	44.3	Very low	238 Å²	238	145.7 Å²	145.7	93%	0.933	80%	0.796	S	S	*	*			trans	-142.2	137.4	135.1	-70	-77.1	0	0	0	111.4
324	N	47.6	Very low	44	Very low	151 Å²	151	144.3 Å²	144.3	81%	0.807	79%	0.792	S	S	*	*			trans	-72.2	144	-172.4	-72.4	-43.6	0	0	0	114.4
325	S	46.8	Very low	44.5	Very low	119 Å²	119	148.6 Å²	148.6	83%	0.832	80%	0.798	S	S	*	*			trans	-153.7	150.5	143.6	-103.8	0	0	0	0	112.6
326	P	49.2	Very low	43.8	Very low	118 Å²	118	147.7 Å²	147.7	77%	0.766	79%	0.787	S	S	*	*			trans	-88.9	147.4	-147.3	32.6	-33.9	0	0	0	115.5
327	R	36.8	Very low	43.5	Very low	236 Å²	236	147.4 Å²	147.4	89%	0.891	80%	0.795	S	S	*	*			trans	-21.1	122.9	160	-72.1	172.5	166.8	-147.2	-2.8	116.3
328	L	44.2	Very low	43.1	Very low	181 Å²	181	149 Å²	149	95%	0.948	80%	0.802	S	S	*	*			trans	-125.1	107.7	135.5	-76.1	173.6	0	0	0	107.8
329	S	38.1	Very low	42.8	Very low	104 Å²	104	147.2 Å²	147.2	73%	0.727	80%	0.799	S	S	*	*			trans	-76.6	119.8	172.3	49.2	0	0	0	0	109.5
330	N	39.4	Very low	42.5	Very low	147 Å²	147	144.2 Å²	144.2	79%	0.786	80%	0.798	S	S	*	*			trans	-138	95.1	151.9	-111.3	5.9	0	0	0	108.1	F332	N330-F332 PolarHBondContact O-N 3.3Å
331	T	37.8	Very low	42.6	Very low	126 Å²	126	148.3 Å²	148.3	77%	0.773	80%	0.798	S	S	*	*			trans	-70.5	106	168.5	11.7	0	0	0	0	108.9
332	F	41	Very low	41.9	Very low	187 Å²	187	153.3 Å²	153.3	82%	0.82	80%	0.801	S	S	*	*			trans	-112.5	116.1	151.7	-85.5	-81.7	0	0	0	108.3	N330 S334	N330-F332 PolarHBondContact O-N 3.3Å; F332-S334 PolarHBondContact O-N 3.42Å
333	I	41.2	Very low	42.1	Very low	140 Å²	140	157.3 Å²	157.3	72%	0.718	81%	0.809	S	S	*	*			trans	-74.2	101.8	-179.5	-66	169	0	0	0	107.3	K335	I333-K335 HydrophobicContact CG2-CG 3.99Å; I333-K335 PolarHBondContact O-N 2.91Å
334	S	38.6	Very low	41.5	Very low	117 Å²	117	154.1 Å²	154.1	82%	0.818	80%	0.803	S	S	*	*			trans	-82.3	100.1	164	-71.7	0	0	0	0	108.9	F332 N336	F332-S334 PolarHBondContact O-N 3.42Å; S334-N336 PolarHBondContact O-N 3.35Å
335	K	51.8	Low	41.5	Very low	194 Å²	194	154.4 Å²	154.4	84%	0.843	80%	0.804	S	S	*	*			trans	-83.1	98.2	162.7	-76.8	-175.8	-178.7	179.6	0	108.4	I333	I333-K335 HydrophobicContact CG2-CG 3.99Å; I333-K335 PolarHBondContact O-N 2.91Å
336	N	38.1	Very low	41.2	Very low	130 Å²	130	157.3 Å²	157.3	70%	0.695	80%	0.804	S	S	*	*			trans	-85.3	107.1	167	-158.6	34.8	0	0	0	107.7	S334 H338	S334-N336 PolarHBondContact O-N 3.35Å; N336-H338 PolarHBondContact ND2-NE2 2.82Å
337	S	43.7	Very low	40.7	Very low	117 Å²	117	157.1 Å²	157.1	82%	0.818	81%	0.813	S	S	*	*			trans	-118.6	106.1	166.1	-101.8	0	0	0	0	108.1	N339	S337-N339 PolarHBondContact O-N 3.45Å
338	H	39.4	Very low	40.8	Very low	164 Å²	164	148.7 Å²	148.7	76%	0.759	80%	0.799	S	S	*	*			trans	-55.7	129.9	163.8	-69.2	-89.2	0	0	0	109.5	N336	N336-H338 PolarHBondContact ND2-NE2 2.82Å
339	N	42	Very low	40.8	Very low	162 Å²	162	149.4 Å²	149.4	87%	0.866	80%	0.798	S	S	*	*			trans	-141.4	106.6	152.2	-141.2	6.9	0	0	0	108.5	S337 H341	S337-N339 PolarHBondContact O-N 3.45Å; N339-H341 PolarHBondContact O-N 3.16Å
340	S	37	Very low	41.1	Very low	114 Å²	114	152.7 Å²	152.7	80%	0.797	81%	0.806	S	S	*	*			trans	-77.6	110.1	170.6	54.2	0	0	0	0	108.5
341	H	44	Very low	41.3	Very low	160 Å²	160	151.1 Å²	151.1	74%	0.741	81%	0.807	S	S	*	*			trans	-134.6	112.7	157.9	-155.8	66.2	0	0	0	109.7	N339	N339-H341 PolarHBondContact O-N 3.16Å
342	R	35.6	Very low	41.8	Very low	227 Å²	227	150.1 Å²	150.1	86%	0.857	80%	0.797	S	S	*	*			trans	-80.6	118.3	176.8	171.1	-174.5	-178.4	-174.5	1.4	107.8
343	Q	42.7	Very low	41.9	Very low	171 Å²	171	143.7 Å²	143.7	80%	0.799	78%	0.783	S	S	*	*			trans	-152.8	112.5	154.4	-113.9	170.1	6	0	0	108
344	E	36	Very low	41.9	Very low	172 Å²	172	141.5 Å²	141.5	80%	0.804	78%	0.78	S	S	*	*			trans	-60.1	141.8	160.6	-59.6	-173.8	160.9	0	0	108.1
345	L	47.5	Very low	42.3	Very low	157 Å²	157	143.2 Å²	143.2	82%	0.822	78%	0.775	S	S	*	*			trans	176.7	126.2	141.6	-90.2	173	0	0	0	109.8
346	E	41.7	Very low	41.7	Very low	179 Å²	179	138.8 Å²	138.8	84%	0.836	76%	0.764	S	S	*	*			trans	61	136.8	147	-75.2	-179.8	146	0	0	123	G348	E346-G348 PolarHBondContact O-N 3.46Å; E346-G348 VanDerWaalsContact O-N 3.14Å
347	A	38.3	Very low	42	Very low	115 Å²	115	140.7 Å²	140.7	95%	0.95	77%	0.767	S	S	*	*			trans	-55.7	108	177.9	0	0	0	0	0	112.3
348	G	39.6	Very low	41.9	Very low	58 Å²	58	139.8 Å²	139.8	60%	0.598	77%	0.767	S	S	*	*			trans	-133.5	129.5	171.7	0	0	0	0	0	110	E346 L350	E346-G348 PolarHBondContact O-N 3.46Å; E346-G348 VanDerWaalsContact O-N 3.14Å; G348-L350 PolarHBondContact O-N 2.92Å; G348-L350 VanDerWaalsContact O-N 3.14Å
349	E	43.5	Very low	42.2	Very low	197 Å²	197	138.4 Å²	138.4	92%	0.921	76%	0.764	S	S	*	*			trans	-48.2	110.7	-175.6	-56.6	-174.2	146.3	0	0	113.1	S351	E349-S351 PolarHBondContact O-N 3Å
350	L	45.6	Very low	42.3	Very low	172 Å²	172	133.6 Å²	133.6	90%	0.901	75%	0.752	S	S	*	*			trans	-74.5	97.3	171.9	-69.7	175.5	0	0	0	109.3	G348 D352	G348-L350 PolarHBondContact O-N 2.92Å; G348-L350 VanDerWaalsContact O-N 3.14Å; L350-D352 PolarHBondContact O-N 3.25Å; L350-D352 VanDerWaalsContact O-N 3.1Å
351	S	42.2	Very low	42.5	Very low	115 Å²	115	135.8 Å²	135.8	80%	0.804	76%	0.755	S	S	*	*			trans	-53.8	103.3	161.9	-168.6	0	0	0	0	109.9	E349 G353	E349-S351 PolarHBondContact O-N 3Å; S351-G353 PolarHBondContact O-N 2.59Å
352	D	49	Very low	42.5	Very low	105 Å²	105	136 Å²	136	56%	0.561	76%	0.757	S	S	*	*			trans	-73.6	72.7	175.1	-178.6	29.8	0	0	0	110	R165 L350	R165-D352 IonicContact CZ-OD2 2.65Å; R165-D352 IonicContact NH1-OD2 3.74Å; R165-D352 PolarHBondContact NH1-OD2 3.22Å; R165-D352 IonicContact NH2-OD2 2.93Å; R165-D352 PolarHBondContact NH2-OD2 3.45Å; L350-D352 PolarHBondContact O-N 3.25Å; L350-D352 VanDerWaalsContact O-N 3.1Å
353	G	42	Very low	43.1	Very low	52 Å²	52	129.8 Å²	129.8	54%	0.536	75%	0.746	S	S	.	*			trans	-103.6	30.2	-171.7	0	0	0	0	0	114.5	S351	S351-G353 PolarHBondContact O-N 2.59Å
354	S	42.4	Very low	43	Very low	93 Å²	93	130.7 Å²	130.7	65%	0.65	75%	0.75	S	S	*	*			trans	-140.1	87.7	-179.4	59.2	0	0	0	0	112.5
355	E	46.7	Very low	43.1	Very low	153 Å²	153	128.5 Å²	128.5	72%	0.715	74%	0.743	S	S	*	*			trans	-163.9	74.1	141.8	-114.4	-178.9	169.1	0	0	111.5	F357	E355-F357 HydrophobicContact CG-CD2 4.43Å; E355-F357 PolarHBondContact O-N 2.78Å
356	T	38.8	Very low	42.7	Very low	101 Å²	101	126.5 Å²	126.5	62%	0.62	73%	0.731	S	S	*	*			trans	-85.9	87.7	164.9	45.6	0	0	0	0	108.3	E40	E40-T356 VanDerWaalsContact CD-CG2 3.5Å; E40-T356 HydrophobicContact CG-CG2 3.72Å; E40-T356 WeakPolarHBondContact OE1-CG2 3.07Å
357	F	44.7	Very low	43	Very low	171 Å²	171	127.9 Å²	127.9	75%	0.75	74%	0.737	S	S	*	*			trans	-92	112.4	161.1	-96.5	-84.6	0	0	0	109.4	E355 L359	E355-F357 HydrophobicContact CG-CD2 4.43Å; E355-F357 PolarHBondContact O-N 2.78Å; F357-L359 VanDerWaalsContact C-N 3.29Å; F357-L359 PolarHBondContact O-N 3.47Å
358	A	40.6	Very low	43.3	Very low	98 Å²	98	128.3 Å²	128.3	81%	0.81	72%	0.719	S	S	*	*			trans	-62.4	86.6	169.2	0	0	0	0	0	109.9	G360	A358-G360 VanDerWaalsContact C-N 3.31Å; A358-G360 PolarHBondContact O-N 2.96Å
359	L	47.3	Very low	43.5	Very low	135 Å²	135	131.6 Å²	131.6	71%	0.707	72%	0.723	S	S	*	*			trans	-73.4	99	149.8	-83.5	163.3	0	0	0	105.9	F357	F357-L359 VanDerWaalsContact C-N 3.29Å; F357-L359 PolarHBondContact O-N 3.47Å
360	G	42.9	Very low	43.4	Very low	60 Å²	60	131.3 Å²	131.3	62%	0.619	72%	0.722	S	S	*	*			trans	-56.7	142.5	178.9	0	0	0	0	0	111.9	A358 E362	A358-G360 VanDerWaalsContact C-N 3.31Å; A358-G360 PolarHBondContact O-N 2.96Å; G360-E362 PolarHBondContact O-N 3.18Å
361	D	42.4	Very low	42.9	Very low	161 Å²	161	129.7 Å²	129.7	86%	0.861	71%	0.71	S	S	*	*			trans	31.9	79.9	155.1	-58.1	-14.8	0	0	0	115	P363	D361-P363 WeakPolarHBondContact O-CD 3.46Å
362	E	44.1	Very low	42.7	Very low	165 Å²	165	134.1 Å²	134.1	77%	0.771	72%	0.717	S	S	*	*			trans	-74.3	110.6	150	-163.3	-177.5	-157.2	0	0	106	G360 Q364	G360-E362 PolarHBondContact O-N 3.18Å; E362-Q364 PolarHBondContact O-N 3.37Å
363	P	47	Very low	42.1	Very low	96 Å²	96	133.2 Å²	133.2	62%	0.623	72%	0.724	S	S	*	*			trans	-67	105.2	172.4	28	-31.5	0	0	0	107.4	D361 L365	D361-P363 WeakPolarHBondContact O-CD 3.46Å; P363-L365 HydrophobicContact CB-CB 4.29Å; P363-L365 HydrophobicContact CB-CD1 4.22Å; P363-L365 HydrophobicContact CB-CG 4.33Å; P363-L365 PolarHBondContact O-N 3.08Å
364	Q	39.9	Very low	42	Very low	189 Å²	189	137.7 Å²	137.7	88%	0.883	74%	0.735	S	S	*	*			trans	-62.3	82	147.5	-90.8	-174.7	-41.6	0	0	106.8	E362	E362-Q364 PolarHBondContact O-N 3.37Å
365	L	38.6	Very low	42.1	Very low	127 Å²	127	143.3 Å²	143.3	67%	0.665	74%	0.743	S	S	*	*			trans	-132.3	93.6	170.9	-78.3	172.7	0	0	0	110.2	P363	P363-L365 HydrophobicContact CB-CB 4.29Å; P363-L365 HydrophobicContact CB-CD1 4.22Å; P363-L365 HydrophobicContact CB-CG 4.33Å; P363-L365 PolarHBondContact O-N 3.08Å
366	M	40.4	Very low	42.1	Very low	115 Å²	115	142 Å²	142	57%	0.567	75%	0.745	S	S	*	*			trans	72	107.7	133.8	-49.4	-161.8	-58.5	0	0	117.5	E368	M366-E368 HydrophobicContact CB-CB 3.94Å; M366-E368 HydrophobicContact CB-CG 3.82Å; M366-E368 HydrophobicContact CE-CG 4.32Å; M366-E368 VanDerWaalsContact CE-OE1 3.25Å; M366-E368 WeakPolarHBondContact CE-OE1 3.48Å; M366-E368 WeakPolarHBondContact CE-OE2 3.48Å; M366-E368 PolarHBondContact O-N 3.06Å; M366-E368 HydrophobicContact SD-CG 4.34Å
367	E	47.3	Very low	42.4	Very low	208 Å²	208	145.9 Å²	145.9	97%	0.972	76%	0.757	S	S	*	*			trans	-53.3	85.8	138.3	-70.1	175.6	154.3	0	0	108.2
368	E	44.1	Very low	42.2	Very low	123 Å²	123	143 Å²	143	58%	0.575	76%	0.758	S	S	*	*			trans	-130.8	116.1	174.2	-93.9	-179.6	-169.8	0	0	111	M366	M366-E368 HydrophobicContact CB-CB 3.94Å; M366-E368 HydrophobicContact CB-CG 3.82Å; M366-E368 HydrophobicContact CE-CG 4.32Å; M366-E368 VanDerWaalsContact CE-OE1 3.25Å; M366-E368 WeakPolarHBondContact CE-OE1 3.48Å; M366-E368 WeakPolarHBondContact CE-OE2 3.48Å; M366-E368 PolarHBondContact O-N 3.06Å; M366-E368 HydrophobicContact SD-CG 4.34Å
369	D	44.3	Very low	42.3	Very low	127 Å²	127	143.7 Å²	143.7	68%	0.679	75%	0.754	S	S	*	*			trans	74.7	102.5	141.4	-66.8	-4.1	0	0	0	120.6	H371	D369-H371 PolarHBondContact O-N 3.31Å
370	Q	41.3	Very low	42.2	Very low	191 Å²	191	145.5 Å²	145.5	89%	0.893	76%	0.764	S	S	*	*			trans	-49.2	51.9	150.3	-63	170	3.8	0	0	114.1
371	H	35.5	Very low	42.3	Very low	139 Å²	139	153.9 Å²	153.9	64%	0.644	78%	0.777	S	S	*	*			trans	-143.3	74.5	-179.3	-65.6	-64.2	0	0	0	114.7	D369	D369-H371 PolarHBondContact O-N 3.31Å
372	H	37.3	Very low	42.5	Very low	208 Å²	208	150.7 Å²	150.7	96%	0.963	77%	0.773	S	S	*	*			trans	-130.6	69.8	156.2	-84.5	-14.7	0	0	0	111.2
373	A	36.9	Very low	42.7	Very low	86 Å²	86	152.5 Å²	152.5	71%	0.711	78%	0.779	S	S	*	*			trans	-126.2	126.8	151.1	0	0	0	0	0	106.4
374	I	39.9	Very low	42.7	Very low	146 Å²	146	157.4 Å²	157.4	75%	0.749	79%	0.79	S	S	*	*			trans	153.1	101.8	168.2	-76.3	147.5	0	0	0	102.2
375	Y	43.2	Very low	43	Very low	210 Å²	210	156.6 Å²	156.6	82%	0.824	79%	0.787	S	S	*	*	S	Bend		-146.4	121.5	66.2	-74.4	-91.3	0	0	0	112.1
376	T	48.3	Very low	43.2	Very low	125 Å²	125	157 Å²	157	77%	0.767	79%	0.789	S	S	*	*	S	Bend		165	102.8	119.7	37.4	0	0	0	0	108.7
377	E	43.4	Very low	43.4	Very low	184 Å²	184	157.5 Å²	157.5	86%	0.86	80%	0.799	S	S	*	*			trans	45.5	138.7	138.3	-55.9	172.7	-170.8	0	0	119.5
378	S	42.5	Very low	43.5	Very low	111 Å²	111	153.3 Å²	153.3	78%	0.776	79%	0.792	S	S	*	*			cis	-171.7	155.8	-18.3	-104.7	0	0	0	0	104
379	P	41.1	Very low	43.9	Very low	111 Å²	111	152.8 Å²	152.8	72%	0.721	80%	0.8	S	S	*	*			trans	-95.6	149.7	-156.2	35.3	-30.3	0	0	0	112.7
380	N	46.3	Very low	43.9	Very low	174 Å²	174	154.9 Å²	154.9	93%	0.93	81%	0.81	S	S	*	*			trans	-154.2	143.1	143.3	-110.2	-38.9	0	0	0	115.4
381	R	45.1	Very low	44.1	Very low	235 Å²	235	150.8 Å²	150.8	89%	0.887	80%	0.802	S	S	*	*			trans	-103	161.2	-159.7	-178.7	-178.3	179.3	-171.9	0.9	110.1
382	A	45.7	Very low	44.6	Very low	95 Å²	95	149.3 Å²	149.3	79%	0.785	81%	0.808	S	S	*	*			trans	98.8	109.2	152.5	0	0	0	0	0	118.5
383	K	48.4	Very low	45.2	Very low	203 Å²	203	145.5 Å²	145.5	88%	0.883	81%	0.805	S	S	*	*			trans	-60.6	137.7	155	-62.4	170	174.9	177.2	0	110.8
384	K	46.5	Very low	45.8	Very low	199 Å²	199	151 Å²	151	87%	0.865	81%	0.813	S	S	*	*			trans	-179.9	100.3	143.7	-99.4	170.6	-175.9	-171.9	0	106.9
385	Q	46.5	Very low	46	Very low	172 Å²	172	155.2 Å²	155.2	80%	0.804	82%	0.819	S	S	*	*				63.1	111.9	102.1	-71	-165.7	-8.4	0	0	115.6
386	N	42.7	Very low	46.4	Very low	136 Å²	136	150.1 Å²	150.1	73%	0.727	81%	0.814	S	S	*	*			trans	84.3	131.3	137.8	-65.8	-9.5	0	0	0	122.1
387	T	45.7	Very low	46.5	Very low	125 Å²	125	149.1 Å²	149.1	77%	0.767	81%	0.812	S	S	*	*			trans	81	96.2	148.7	67.7	0	0	0	0	120.6
388	S	49.3	Very low	46.9	Very low	119 Å²	119	144.3 Å²	144.3	83%	0.832	80%	0.799	S	S	*	*				55.5	151.9	116.9	-54.3	0	0	0	0	123.3
389	P	51.1	Low	47.3	Very low	113 Å²	113	146.8 Å²	146.8	73%	0.734	80%	0.798	S	S	*	*			trans	-117.6	163.3	-142.6	40.4	-28.2	0	0	0	114.6
390	L	44.4	Very low	47.8	Very low	171 Å²	171	149 Å²	149	90%	0.895	80%	0.803	S	S	*	*			trans	-162.8	140.4	161.7	-107.8	126	0	0	0	115.5
391	S	45.8	Very low	47.8	Very low	104 Å²	104	146 Å²	146	73%	0.727	80%	0.795	S	S	*	*			trans	88.9	106.5	146.5	77.7	0	0	0	0	121.2
392	S	46.1	Very low	48.1	Very low	109 Å²	109	138.3 Å²	138.3	76%	0.762	78%	0.778	S	S	*	*			trans	-31	146.7	146	52.2	0	0	0	0	118.3
393	S	51.1	Low	48.3	Very low	128 Å²	128	142.3 Å²	142.3	90%	0.895	78%	0.78	S	S	*	*			trans	-162.4	140.9	130.1	-111.5	0	0	0	0	114
394	K	48	Very low	48.4	Very low	202 Å²	202	137.5 Å²	137.5	88%	0.878	77%	0.772	S	S	*	*			trans	-91.8	152.6	-178.1	-65.5	171.9	171.7	175.9	0	111.2
395	R	45.8	Very low	48.9	Very low	233 Å²	233	133 Å²	133	88%	0.879	77%	0.765	S	S	*	*			trans	-174	112.1	146	-105.2	174.1	167.3	-126.3	-2.5	107.4
396	S	49.9	Very low	49.3	Very low	104 Å²	104	130.9 Å²	130.9	73%	0.727	77%	0.766	S	S	*	*				44	133.9	85.3	71.4	0	0	0	0	112.9
397	S	51.3	Low	50.2	Low	103 Å²	103	131.4 Å²	131.4	72%	0.72	77%	0.774	S	S	*	*			cis	-169.7	153.5	8.8	45.6	0	0	0	0	104.4
398	S	51.9	Low	50.4	Low	83 Å²	83	135.2 Å²	135.2	58%	0.58	77%	0.774	S	S	*	*				135.9	156.7	99.1	48	0	0	0	0	110.2
399	H	51	Low	50.6	Low	163 Å²	163	135.8 Å²	135.8	76%	0.755	78%	0.777	S	S	*	*			trans	84.3	133.5	168.9	-44.9	-67.8	0	0	0	117.1
400	L	51.1	Low	50.9	Low	159 Å²	159	138 Å²	138	83%	0.832	78%	0.777	S	S	*	*			cis	170.3	164.2	-20.8	-105.7	169.7	0	0	0	103.5
401	S	47.6	Very low	51.4	Low	110 Å²	110	135.6 Å²	135.6	77%	0.769	77%	0.773	S	S	*	*			trans	81.5	119.1	170.2	-124.1	0	0	0	0	115.6
402	S	50	Low	52.4	Low	74 Å²	74	136.7 Å²	136.7	52%	0.517	78%	0.777	S	S	.	*			cis	124.5	143.7	17.9	61.9	0	0	0	0	108.6
403	H	50.4	Low	52.7	Low	179 Å²	179	137.6 Å²	137.6	83%	0.829	78%	0.778	S	S	*	*			trans	82.2	136.1	171.5	-44.7	-58.6	0	0	0	115.7
404	S	50.5	Low	53.2	Low	102 Å²	102	141.1 Å²	141.1	71%	0.713	78%	0.78	S	S	*	*			cis	-168.4	148.8	-5.4	-175.4	0	0	0	0	108.1
405	S	56	Low	53.5	Low	103 Å²	103	140.4 Å²	140.4	72%	0.72	78%	0.778	S	S	*	*			trans	77.5	119.7	155	-49.8	0	0	0	0	120.9
406	P	55.6	Low	53.7	Low	128 Å²	128	139.9 Å²	139.9	83%	0.831	78%	0.776	S	S	*	*			trans	-119.9	128	147.8	34	-20.4	0	0	0	111.4
407	V	61	Low	53.8	Low	147 Å²	147	143.9 Å²	143.9	89%	0.891	78%	0.78	S	S	*	*			trans	-98.2	119	167.8	175	0	0	0	0	109.6
408	R	50.8	Low	53.7	Low	205 Å²	205	147.3 Å²	147.3	77%	0.774	79%	0.789	S	S	*	*			trans	-71.8	135.9	170.3	177.3	-173.1	-164.7	-154.1	4.2	110
409	C	53.8	Low	53.6	Low	132 Å²	132	148.9 Å²	148.9	89%	0.892	80%	0.8	S	S	*	*			trans	-161.2	131.6	143.3	-102	0	0	0	0	110.9
410	Q	57.5	Low	53.7	Low	158 Å²	158	145.9 Å²	145.9	74%	0.738	80%	0.797	S	S	*	*			trans	-82.6	164.7	-172.1	-67.3	-177.3	-27.1	0	0	112.9
411	P	55.3	Low	53.9	Low	122 Å²	122	145.5 Å²	145.5	79%	0.792	80%	0.801	S	S	*	*			trans	-94.9	163.4	174.2	37.9	-31.5	0	0	0	112.2
412	P	65.4	Low	53.9	Low	127 Å²	127	143.5 Å²	143.5	83%	0.825	80%	0.798	S	S	*	*			trans	-118	136.1	155.5	31.4	-17.5	0	0	0	113.2
413	T	52.1	Low	53.7	Low	128 Å²	128	148.9 Å²	148.9	79%	0.785	82%	0.815	S	S	*	*			trans	-57.6	141.5	168.1	50.3	0	0	0	0	114
414	Q	62	Low	53.7	Low	201 Å²	201	146 Å²	146	94%	0.939	82%	0.815	S	S	*	*			trans	-140.9	119.6	143.2	-73.9	-166.2	-10.8	0	0	111.7
415	K	53.8	Low	53.7	Low	188 Å²	188	150 Å²	150	82%	0.817	82%	0.822	S	S	*	*			trans	-70	150.6	171.2	-63.5	167.6	168.3	173.9	0	109.6
416	R	50.6	Low	54	Low	222 Å²	222	150.2 Å²	150.2	84%	0.838	82%	0.821	S	S	*	*				153.2	145.3	98.9	-118.9	163.3	171.2	165.1	-2.8	114.2
417	K	52.8	Low	53.9	Low	188 Å²	188	149.3 Å²	149.3	82%	0.817	82%	0.815	S	S	*	*			trans	82.3	102.7	158.7	-64.3	175.4	176.9	-172.9	0	115.9
418	L	48.5	Very low	53.3	Low	174 Å²	174	148.7 Å²	148.7	91%	0.911	81%	0.807	S	S	*	*				62.7	103.8	54.9	-65.8	179.5	0	0	0	115.6
419	S	50.5	Low	53.1	Low	117 Å²	117	145.5 Å²	145.5	82%	0.818	81%	0.805	S	S	*	*			trans	160.1	140.7	139.2	56.8	0	0	0	0	107.2
420	S	53.5	Low	53	Low	99 Å²	99	147.3 Å²	147.3	69%	0.692	80%	0.802	S	S	*	*			cis	-178.8	138.6	-3.3	47.7	0	0	0	0	105.9
421	V	53.7	Low	52.3	Low	152 Å²	152	146.5 Å²	146.5	92%	0.921	80%	0.802	S	S	*	*			trans	52.7	128.2	133.1	-170.6	0	0	0	0	118.2
422	G	49	Very low	52.4	Low	67 Å²	67	150.2 Å²	150.2	69%	0.691	81%	0.806	S	S	*	*			cis	-178.1	173.7	15.9	0	0	0	0	0	114.2
423	E	44.9	Very low	51.4	Low	187 Å²	187	152.8 Å²	152.8	87%	0.874	81%	0.806	S	S	*	*			trans	-59	151.8	173.1	-66	148.2	124.6	0	0	111.8
424	S	50.3	Low	51.6	Low	118 Å²	118	155.6 Å²	155.6	83%	0.825	81%	0.808	S	S	*	*				172.8	165.2	83.6	44.1	0	0	0	0	111.6
425	H	50.8	Low	50.9	Low	186 Å²	186	153.8 Å²	153.8	86%	0.861	80%	0.799	S	S	*	*			trans	-62.8	166.4	-164	-75.9	-80.5	0	0	0	120.2
426	P	62.4	Low	51	Low	108 Å²	108	154.4 Å²	154.4	70%	0.701	80%	0.802	S	S	*	*			trans	-91.5	167.6	167.2	41.9	-34.8	0	0	0	111.3
427	P	53.5	Low	50.9	Low	110 Å²	110	148.9 Å²	148.9	71%	0.714	80%	0.797	S	S	*	*				-157.3	-172.6	75.9	39.7	-16	0	0	0	116.8
428	D	48.3	Very low	51	Low	133 Å²	133	151.6 Å²	151.6	71%	0.711	80%	0.802	S	S	*	*			trans	90.8	126.2	154	-70.5	-14.1	0	0	0	123.2
429	N	46.8	Very low	51.2	Low	139 Å²	139	151.4 Å²	151.4	74%	0.743	80%	0.797	S	S	*	*			trans	63.3	121.1	147.4	-66.3	-28.5	0	0	0	119.7
430	M	51.2	Low	51.5	Low	169 Å²	169	153.7 Å²	153.7	83%	0.833	80%	0.8	S	S	*	*				-177.9	119.9	112.4	-83.5	-115.4	76.4	0	0	111.3
431	I	44	Very low	51.3	Low	142 Å²	142	153.9 Å²	153.9	73%	0.728	80%	0.801	S	S	*	*			trans	-51	130.6	162.2	-65.5	153.2	0	0	0	110.2
432	K	55.9	Low	51.6	Low	200 Å²	200	153.5 Å²	153.5	87%	0.87	80%	0.799	S	S	*	*			trans	-139.7	104.4	155.5	-78.4	-167.9	178.3	176.1	0	110.5
433	E	45	Very low	52.2	Low	180 Å²	180	153.8 Å²	153.8	84%	0.841	80%	0.802	S	S	*	*			trans	-58.2	146.3	162.4	-65.9	175	135	0	0	111.1
434	K	55.6	Low	52.9	Low	187 Å²	187	151.8 Å²	151.8	81%	0.813	80%	0.803	S	S	*	*			trans	-149	107.1	155.7	-127.4	-179.5	-178	-177.7	0	111
435	E	48.8	Very low	53.2	Low	164 Å²	164	157.3 Å²	157.3	77%	0.766	82%	0.823	S	S	*	*			trans	31.9	124.2	137.9	-66.3	176	121	0	0	119.8
436	K	54.8	Low	53.3	Low	201 Å²	201	155.9 Å²	155.9	87%	0.874	82%	0.821	S	S	*	*				-173	109.1	103.7	-100.4	169.7	-178.1	-179.4	0	112.7
437	S	47.7	Very low	52.8	Low	105 Å²	105	158.4 Å²	158.4	73%	0.734	83%	0.828	S	S	*	*			trans	16.6	122.1	131.6	173.5	0	0	0	0	118.2
438	R	56.6	Low	52.8	Low	245 Å²	245	161.1 Å²	161.1	93%	0.925	83%	0.834	S	S	*	*				-163.8	122.4	115.4	-103.3	170.5	-179.6	-158	-1.7	112
439	Q	52.6	Low	53.1	Low	171 Å²	171	162.7 Å²	162.7	80%	0.799	84%	0.841	S	S	*	*			trans	-62.1	149.5	169.9	-62.7	172.1	-43.2	0	0	110.8
440	N	57.1	Low	53.5	Low	165 Å²	165	164.2 Å²	164.2	88%	0.882	85%	0.847	S	S	*	*				-169.6	121	123.1	-87.1	-13.2	0	0	0	110.4
441	S	48.7	Very low	53.6	Low	102 Å²	102	163.9 Å²	163.9	71%	0.713	85%	0.848	S	S	*	*			trans	-80.1	-178.5	171.8	48.5	0	0	0	0	112.2
442	T	59.5	Low	54.3	Low	145 Å²	145	165.4 Å²	165.4	89%	0.89	86%	0.857	S	S	*	*			trans	92.1	131.6	174.8	74.1	0	0	0	0	113.2
443	G	62.3	Low	54.2	Low	73 Å²	73	162.8 Å²	162.8	75%	0.753	86%	0.856	S	S	*	*			cis	-175.3	161.3	5.4	0	0	0	0	0	109.1
444	T	59.9	Low	54.9	Low	144 Å²	144	161.3 Å²	161.3	88%	0.883	86%	0.857	S	S	*	*			trans	-41.5	143.7	175.2	-12.2	0	0	0	0	116.4
445	D	55.7	Low	54.9	Low	234 Å²	234	159 Å²	159	100%	1.251	86%	0.861	S	S	*	*				-142.2	0	125.9	-132.2	-0.8	0	0	0	108.1

Retrieved 445 of 445 residues in 59.8 ms (Link to these results)

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