A0A3Q0KND2_SCHMA Loading...

Putative cell adhesion molecule

AlphaFold DB , UniProt , Accession A0A3Q0KND2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 689 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	38.4	Very low	61.5	Low	233 Å²	233	110.3 Å²	110.3	100%	1.148	57%	0.572	S	S	*	*				0	107.8	0	-80.2	172.5	71.3	0	0	107.5	N3	M1-N3 PolarHBondContact O-N 3.27Å
2	V	44	Very low	63.4	Low	103 Å²	103	106.7 Å²	106.7	62%	0.624	55%	0.554	S	S	*	*			trans	-79.1	109.3	176.7	-166.1	0	0	0	0	106.8	L4	V2-L4 VanDerWaalsContact C-N 3.25Å; V2-L4 HydrophobicContact CB-CD1 3.89Å; V2-L4 HydrophobicContact CG1-CD1 3.39Å; V2-L4 HydrophobicContact CG1-CG 4.34Å; V2-L4 PolarHBondContact O-N 2.73Å
3	N	41.3	Very low	65	Low	160 Å²	160	99.2 Å²	99.2	86%	0.856	52%	0.518	S	S	*	.			trans	-75.4	81.5	171.4	-104.2	-26.9	0	0	0	107.7	M1	M1-N3 PolarHBondContact O-N 3.27Å
4	L	53.1	Low	66.7	Low	49 Å²	49	92.1 Å²	92.1	26%	0.257	48%	0.481	S	S	.	.			trans	-75.6	131.8	164	-82.8	98.3	0	0	0	108.1	V2 L275	V2-L4 VanDerWaalsContact C-N 3.25Å; V2-L4 HydrophobicContact CB-CD1 3.89Å; V2-L4 HydrophobicContact CG1-CD1 3.39Å; V2-L4 HydrophobicContact CG1-CG 4.34Å; V2-L4 PolarHBondContact O-N 2.73Å; L4-L275 HydrophobicContact CD1-CD1 4.44Å
5	P	51.4	Low	68.1	Low	92 Å²	92	87.5 Å²	87.5	60%	0.597	46%	0.456	S	S	*	.			trans	-56.8	138.4	170	23.8	-30.7	0	0	0	108.7	R7	P5-R7 VanDerWaalsContact C-N 3.31Å; P5-R7 PolarHBondContact O-N 3.21Å
6	P	53.7	Low	69.3	Low	121 Å²	121	87.6 Å²	87.6	79%	0.786	45%	0.451	S	S	*	.			trans	-66	93.9	-180	26.3	-32.2	0	0	0	109	H8	P6-H8 PolarHBondContact O-N 3.39Å
7	R	68.2	Low	70.4	Confident	92 Å²	92	82.6 Å²	82.6	35%	0.347	43%	0.426	S	S	.	.			trans	-72.6	55.8	170.2	-75.4	-169.7	-176.3	158.1	-4.9	110.7	P5 E9 E10 K11 A158 V159	P5-R7 VanDerWaalsContact C-N 3.31Å; P5-R7 PolarHBondContact O-N 3.21Å; R7-E9 VanDerWaalsContact C-N 3.34Å; R7-E10 WeakPolarHBondContact CA-OE2 3.13Å; R7-E10 HydrophobicContact CB-CB 4.22Å; R7-E10 HydrophobicContact CB-CG 4.39Å; R7-E10 WeakPolarHBondContact CB-OE2 3.25Å; R7-K11 WeakPolarHBondContact O-CB 3.31Å; R7-K11 PolarHBondContact O-N 3.13Å; R7-A158 HydrophobicContact CB-CB 4.11Å; R7-V159 PolarHBondContact NH1-O 3.25Å
8	H	76.2	Confident	71.6	Confident	120 Å²	120	78.1 Å²	78.1	56%	0.556	40%	0.402	S	S	*	.	H	α-helix	trans	-68.2	-37.8	-173.5	-176	56.7	0	0	0	111	P6 K11 L12	P6-H8 PolarHBondContact O-N 3.39Å; H8-K11 PolarHBondContact O-N 3.41Å; H8-L12 WeakPolarHBondContact O-CG 3.4Å; H8-L12 PolarHBondContact O-N 3.14Å
9	E	81.2	Confident	72.7	Confident	155 Å²	155	75.4 Å²	75.4	72%	0.724	39%	0.387	S	S	*	.	H	α-helix	trans	-64.4	-43.9	177	-171.7	174.8	179.5	0	0	111.3	R7 L12 A13	R7-E9 VanDerWaalsContact C-N 3.34Å; E9-L12 PolarHBondContact O-N 3.46Å; E9-A13 WeakPolarHBondContact O-CB 3.35Å; E9-A13 PolarHBondContact O-N 3.06Å
10	E	83.1	Confident	73.5	Confident	59 Å²	59	72.9 Å²	72.9	28%	0.276	38%	0.376	S	S	.	.	H	α-helix	trans	-66.7	-38.9	177.1	-59.6	90.8	148.6	0	0	111.6	R7 A13 I14 A158	R7-E10 WeakPolarHBondContact CA-OE2 3.13Å; R7-E10 HydrophobicContact CB-CB 4.22Å; R7-E10 HydrophobicContact CB-CG 4.39Å; R7-E10 WeakPolarHBondContact CB-OE2 3.25Å; E10-A13 PolarHBondContact O-N 3.4Å; E10-I14 VanDerWaalsContact O-CG1 3.3Å; E10-I14 WeakPolarHBondContact O-CG1 3.4Å; E10-I14 PolarHBondContact O-N 3.45Å; E10-A158 HydrophobicContact CB-CB 3.87Å
11	K	85.4	Confident	74.5	Confident	29 Å²	29	69.4 Å²	69.4	13%	0.126	36%	0.358	C	S	.	.	H	α-helix	trans	-57.9	-49.9	172.4	179.5	-174.6	174.2	174.8	0	110.7	R7 H8 A13 I14 E15 E156 A158 L231	R7-K11 WeakPolarHBondContact O-CB 3.31Å; R7-K11 PolarHBondContact O-N 3.13Å; H8-K11 PolarHBondContact O-N 3.41Å; K11-A13 VanDerWaalsContact C-N 3.31Å; K11-A13 PolarHBondContact O-N 3.47Å; K11-I14 PolarHBondContact O-N 3.36Å; K11-E15 WeakPolarHBondContact O-CB 3.36Å; K11-E15 PolarHBondContact O-N 3.18Å; K11-E156 WeakPolarHBondContact CE-OE2 3.13Å; K11-E156 IonicContact NZ-OE2 2.78Å; K11-E156 PolarHBondContact NZ-OE2 3.44Å; K11-A158 HydrophobicContact CB-CB 4.46Å; K11-L231 HydrophobicContact CG-CD2 4.17Å
12	L	84.8	Confident	77.1	Confident	67 Å²	67	58.5 Å²	58.5	35%	0.351	30%	0.304	S	S	.	.	H	α-helix	trans	-62.6	-37.4	178.8	-72.8	172.8	0	0	0	111.9	H8 E9 E15 K16	H8-L12 WeakPolarHBondContact O-CG 3.4Å; H8-L12 PolarHBondContact O-N 3.14Å; E9-L12 PolarHBondContact O-N 3.46Å; L12-E15 PolarHBondContact O-N 2.87Å; L12-K16 WeakPolarHBondContact O-CB 3.28Å; L12-K16 VanDerWaalsContact O-CG 3.27Å; L12-K16 WeakPolarHBondContact O-CG 3.48Å; L12-K16 PolarHBondContact O-N 3.34Å
13	A	84.6	Confident	79.5	Confident	10 Å²	10	55.4 Å²	55.4	8%	0.083	28%	0.284	C	S	.	.	H	α-helix	trans	-65.4	-43.8	175.9	0	0	0	0	0	112	E9 E10 K11 K16 C17 F162	E9-A13 WeakPolarHBondContact O-CB 3.35Å; E9-A13 PolarHBondContact O-N 3.06Å; E10-A13 PolarHBondContact O-N 3.4Å; K11-A13 VanDerWaalsContact C-N 3.31Å; K11-A13 PolarHBondContact O-N 3.47Å; A13-K16 PolarHBondContact O-N 3.35Å; A13-C17 PolarHBondContact O-N 3.14Å; A13-C17 PolarHBondContact O-SG 3.06Å; A13-F162 HydrophobicContact CB-CD1 3.9Å; A13-F162 HydrophobicContact CB-CE1 3.68Å
14	I	87.8	Confident	81.9	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-59.7	-48.1	173.7	-70.7	164.8	0	0	0	110	E10 K11 K16 C17 L18 A158 F162 L167 S229 L231	E10-I14 VanDerWaalsContact O-CG1 3.3Å; E10-I14 WeakPolarHBondContact O-CG1 3.4Å; E10-I14 PolarHBondContact O-N 3.45Å; K11-I14 PolarHBondContact O-N 3.36Å; I14-K16 VanDerWaalsContact C-N 3.34Å; I14-K16 PolarHBondContact O-N 3.42Å; I14-C17 WeakPolarHBondContact O-CB 3.37Å; I14-C17 PolarHBondContact O-N 2.8Å; I14-C17 VanDerWaalsContact O-N 3.08Å; I14-L18 HydrophobicContact CG2-CD1 3.9Å; I14-L18 HydrophobicContact CG2-CG 4.24Å; I14-L18 WeakPolarHBondContact O-CG 3.45Å; I14-L18 PolarHBondContact O-N 2.92Å; I14-A158 HydrophobicContact CD1-CB 3.94Å; I14-F162 HydrophobicContact CG1-CB 3.91Å; I14-L167 HydrophobicContact CG1-CD2 4.29Å; I14-L167 HydrophobicContact CG2-CD2 4.14Å; I14-S229 WeakPolarHBondContact CG2-O 3.45Å; I14-L231 HydrophobicContact CB-CD2 4.33Å; I14-L231 HydrophobicContact CD1-CD2 3.98Å; I14-L231 HydrophobicContact CG2-CD1 4.24Å; I14-L231 HydrophobicContact CG2-CD2 3.98Å; I14-L231 HydrophobicContact CG2-CG 3.88Å
15	E	88.5	Confident	84	Confident	23 Å²	23	45.6 Å²	45.6	11%	0.107	23%	0.232	C	C	.	.	H	α-helix	trans	-59.7	-43.4	179.6	-165.3	-168.1	136.2	0	0	112	K11 L12 C17 L18 R19 P75 V76	K11-E15 WeakPolarHBondContact O-CB 3.36Å; K11-E15 PolarHBondContact O-N 3.18Å; L12-E15 PolarHBondContact O-N 2.87Å; E15-C17 VanDerWaalsContact C-N 3.33Å; E15-C17 PolarHBondContact O-N 3.36Å; E15-L18 PolarHBondContact O-N 3.15Å; E15-R19 WeakPolarHBondContact O-CB 3.47Å; E15-R19 PolarHBondContact O-N 3.5Å; E15-R19 IonicContact OE1-CZ 3.6Å; E15-R19 IonicContact OE1-NH2 3.96Å; E15-R19 PolarHBondContact OE1-NH2 2.69Å; E15-P75 VanDerWaalsContact OE1-CA 3.25Å; E15-P75 WeakPolarHBondContact OE1-CA 3.23Å; E15-V76 HydrophobicContact CG-CB 3.97Å; E15-V76 HydrophobicContact CG-CG2 4.4Å; E15-V76 PolarHBondContact OE1-N 3.1Å
16	K	87.1	Confident	86.1	Confident	89 Å²	89	41.2 Å²	41.2	39%	0.387	20%	0.203	S	C	.	.	H	α-helix	trans	-59.3	-42	173	-74.9	175.4	-178.4	-175.7	0	112.1	L12 A13 I14 R19 S20 F391	L12-K16 WeakPolarHBondContact O-CB 3.28Å; L12-K16 VanDerWaalsContact O-CG 3.27Å; L12-K16 WeakPolarHBondContact O-CG 3.48Å; L12-K16 PolarHBondContact O-N 3.34Å; A13-K16 PolarHBondContact O-N 3.35Å; I14-K16 VanDerWaalsContact C-N 3.34Å; I14-K16 PolarHBondContact O-N 3.42Å; K16-R19 PolarHBondContact O-N 3.33Å; K16-S20 WeakPolarHBondContact O-CB 3.25Å; K16-S20 PolarHBondContact O-N 2.91Å; K16-F391 HydrophobicContact CB-CD1 4.05Å; K16-F391 HydrophobicContact CB-CE1 4.16Å; K16-F391 HydrophobicContact CD-CB 4.31Å; K16-F391 HydrophobicContact CD-CD1 3.87Å; K16-F391 HydrophobicContact CD-CD2 4.25Å; K16-F391 HydrophobicContact CD-CE1 4.19Å; K16-F391 HydrophobicContact CD-CG 3.91Å
17	C	88.5	Confident	88	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.014	17%	0.166	C	C	.	.	H	α-helix	trans	-64.7	-45.2	176.7	-67.2	0	0	0	0	111.9	A13 I14 E15 S20 F21 L171	A13-C17 PolarHBondContact O-N 3.14Å; A13-C17 PolarHBondContact O-SG 3.06Å; I14-C17 WeakPolarHBondContact O-CB 3.37Å; I14-C17 PolarHBondContact O-N 2.8Å; I14-C17 VanDerWaalsContact O-N 3.08Å; E15-C17 VanDerWaalsContact C-N 3.33Å; E15-C17 PolarHBondContact O-N 3.36Å; C17-S20 PolarHBondContact O-N 3.4Å; C17-F21 PolarHBondContact O-N 3.03Å; C17-L171 HydrophobicContact CB-CD1 4.15Å
18	L	92	Very high	89.2	Confident	1 Å²	1	31.4 Å²	31.4	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-62.9	-43.2	177.6	-64.2	173.2	0	0	0	111.4	I14 E15 F21 I22 V76 L107 L171 L231 L280	I14-L18 HydrophobicContact CG2-CD1 3.9Å; I14-L18 HydrophobicContact CG2-CG 4.24Å; I14-L18 WeakPolarHBondContact O-CG 3.45Å; I14-L18 PolarHBondContact O-N 2.92Å; E15-L18 PolarHBondContact O-N 3.15Å; L18-F21 WeakPolarHBondContact O-CB 3.33Å; L18-F21 PolarHBondContact O-N 3.23Å; L18-I22 WeakPolarHBondContact O-CD1 3.33Å; L18-I22 WeakPolarHBondContact O-CG1 3.42Å; L18-I22 PolarHBondContact O-N 2.83Å; L18-V76 HydrophobicContact CB-CG1 4.41Å; L18-L107 HydrophobicContact CD1-CD1 4.04Å; L18-L107 HydrophobicContact CD1-CD2 3.94Å; L18-L171 HydrophobicContact CD2-CD2 4.42Å; L18-L231 HydrophobicContact CD1-CD1 4.44Å; L18-L280 HydrophobicContact CD2-CB 4.28Å; L18-L280 HydrophobicContact CD2-CD2 3.91Å
19	R	91.7	Very high	90.2	Very high	28 Å²	28	25.7 Å²	25.7	11%	0.106	13%	0.125	C	C	.	.	H	α-helix	trans	-58	-50.5	174.2	-175.8	-172.8	-62.2	104.7	7.3	111.3	E15 K16 F21 I22 I23 F74 V76	E15-R19 WeakPolarHBondContact O-CB 3.47Å; E15-R19 PolarHBondContact O-N 3.5Å; E15-R19 IonicContact OE1-CZ 3.6Å; E15-R19 IonicContact OE1-NH2 3.96Å; E15-R19 PolarHBondContact OE1-NH2 2.69Å; K16-R19 PolarHBondContact O-N 3.33Å; R19-F21 VanDerWaalsContact C-N 3.3Å; R19-F21 PolarHBondContact O-N 2.94Å; R19-I22 PolarHBondContact O-N 3.46Å; R19-I23 HydrophobicContact CG-CD1 3.98Å; R19-I23 WeakPolarHBondContact O-CG1 3.47Å; R19-I23 PolarHBondContact O-N 3.33Å; R19-F74 HydrophobicContact CB-CZ 4.48Å; R19-F74 HydrophobicContact CG-CD1 4.14Å; R19-F74 HydrophobicContact CG-CE1 3.66Å; R19-F74 HydrophobicContact CG-CE2 4.23Å; R19-F74 HydrophobicContact CG-CZ 3.71Å; R19-F74 VanDerWaalsContact CZ-O 3.24Å; R19-F74 PolarHBondContact NE-O 3.28Å; R19-F74 PolarHBondContact NH2-O 2.6Å; R19-V76 HydrophobicContact CB-CG2 4.11Å
20	S	89.3	Confident	90.9	Very high	25 Å²	25	18.3 Å²	18.3	18%	0.175	9%	0.09	C	C	.	.	H	α-helix	trans	-59.3	-41.6	178.3	-179.8	0	0	0	0	111.8	K16 C17 I23 K24	K16-S20 WeakPolarHBondContact O-CB 3.25Å; K16-S20 PolarHBondContact O-N 2.91Å; C17-S20 PolarHBondContact O-N 3.4Å; S20-I23 PolarHBondContact O-N 3.35Å; S20-K24 PolarHBondContact O-N 3.27Å
21	F	93.3	Very high	91.3	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-60.2	-47.2	174.8	171.2	-93.2	0	0	0	112.9	C17 L18 R19 I23 K24 S25 M52 F105 L171 L174 L175 I178 L280	C17-F21 PolarHBondContact O-N 3.03Å; L18-F21 WeakPolarHBondContact O-CB 3.33Å; L18-F21 PolarHBondContact O-N 3.23Å; R19-F21 VanDerWaalsContact C-N 3.3Å; R19-F21 PolarHBondContact O-N 2.94Å; F21-I23 PolarHBondContact O-N 2.87Å; F21-K24 PolarHBondContact O-N 3.2Å; F21-S25 WeakPolarHBondContact CZ-OG 3.3Å; F21-S25 VanDerWaalsContact O-CB 3.31Å; F21-S25 WeakPolarHBondContact O-CB 3.43Å; F21-S25 PolarHBondContact O-N 2.91Å; F21-S25 PolarHBondContact O-OG 2.77Å; F21-M52 HydrophobicContact CB-CE 4.41Å; F21-M52 HydrophobicContact CB-SD 3.81Å; F21-M52 HydrophobicContact CD2-SD 3.93Å; F21-M52 HydrophobicContact CG-SD 4.38Å; F21-F105 HydrophobicContact CE1-CD1 4.19Å; F21-F105 HydrophobicContact CE1-CE1 4.25Å; F21-L171 HydrophobicContact CB-CB 4.47Å; F21-L171 HydrophobicContact CB-CD1 4.17Å; F21-L171 HydrophobicContact CB-CD2 4.13Å; F21-L171 HydrophobicContact CB-CG 4.48Å; F21-L171 HydrophobicContact CD1-CD2 4.24Å; F21-L171 HydrophobicContact CD2-CB 3.87Å; F21-L171 HydrophobicContact CD2-CD2 3.89Å; F21-L171 HydrophobicContact CD2-CG 4.41Å; F21-L171 HydrophobicContact CE2-CD2 4.39Å; F21-L171 WeakPolarHBondContact CE2-O 2.98Å; F21-L171 HydrophobicContact CG-CB 4.39Å; F21-L171 HydrophobicContact CG-CD2 3.8Å; F21-L171 HydrophobicContact CG-CG 4.5Å; F21-L174 HydrophobicContact CE1-CD2 4.12Å; F21-L174 HydrophobicContact CE2-CB 4.06Å; F21-L174 HydrophobicContact CE2-CD2 4.03Å; F21-L174 HydrophobicContact CE2-CG 3.98Å; F21-L174 HydrophobicContact CZ-CB 4.25Å; F21-L174 HydrophobicContact CZ-CD2 3.43Å; F21-L174 VanDerWaalsContact CZ-CD2 3.43Å; F21-L174 HydrophobicContact CZ-CG 3.65Å; F21-L175 HydrophobicContact CD2-CB 4.45Å; F21-L175 HydrophobicContact CE2-CB 4.07Å; F21-I178 HydrophobicContact CE1-CD1 4.48Å; F21-I178 HydrophobicContact CE2-CD1 4.28Å; F21-I178 HydrophobicContact CZ-CD1 3.65Å; F21-L280 HydrophobicContact CD1-CD2 3.49Å; F21-L280 VanDerWaalsContact CD1-CD2 3.49Å; F21-L280 HydrophobicContact CE1-CD2 3.55Å; F21-L280 HydrophobicContact CG-CD2 4.36Å; F21-L280 HydrophobicContact CZ-CD2 4.45Å
22	I	94.7	Very high	91.7	Very high	3 Å²	3	15.6 Å²	15.6	2%	0.015	8%	0.078	C	C	.	.	H	α-helix	trans	-61	-46.6	179.3	-70.8	158.4	0	0	0	110.4	L18 R19 S25 I26 F74 V76 L82 F105	L18-I22 WeakPolarHBondContact O-CD1 3.33Å; L18-I22 WeakPolarHBondContact O-CG1 3.42Å; L18-I22 PolarHBondContact O-N 2.83Å; R19-I22 PolarHBondContact O-N 3.46Å; I22-S25 WeakPolarHBondContact O-CB 3.39Å; I22-S25 PolarHBondContact O-N 2.8Å; I22-I26 HydrophobicContact CG2-CD1 3.9Å; I22-I26 WeakPolarHBondContact O-CG1 3.02Å; I22-I26 PolarHBondContact O-N 3.06Å; I22-F74 HydrophobicContact CB-CZ 4.35Å; I22-F74 HydrophobicContact CD1-CE2 4.38Å; I22-F74 HydrophobicContact CG2-CZ 3.99Å; I22-V76 HydrophobicContact CD1-CG1 4.26Å; I22-V76 HydrophobicContact CD1-CG2 4.24Å; I22-L82 HydrophobicContact CD1-CD1 3.83Å; I22-L82 HydrophobicContact CG1-CD1 4.39Å; I22-L82 HydrophobicContact CG2-CD1 3.57Å; I22-F105 HydrophobicContact CG1-CB 4.44Å
23	I	93.2	Very high	92.2	Very high	38 Å²	38	12.4 Å²	12.4	20%	0.195	6%	0.062	C	C	.	.	H	α-helix	trans	-58.6	-51.2	178.9	-68.5	172.1	0	0	0	110.6	R19 S20 F21 S25 I26 H27 I66 F74	R19-I23 HydrophobicContact CG-CD1 3.98Å; R19-I23 WeakPolarHBondContact O-CG1 3.47Å; R19-I23 PolarHBondContact O-N 3.33Å; S20-I23 PolarHBondContact O-N 3.35Å; F21-I23 PolarHBondContact O-N 2.87Å; I23-S25 VanDerWaalsContact C-N 3.29Å; I23-S25 PolarHBondContact O-N 2.95Å; I23-I26 PolarHBondContact O-N 3.1Å; I23-H27 PolarHBondContact O-CD2 3.5Å; I23-H27 VanDerWaalsContact O-CD2 3.29Å; I23-H27 PolarHBondContact O-N 2.93Å; I23-I66 HydrophobicContact CG1-CG2 4.16Å; I23-I66 HydrophobicContact CG2-CD1 4.08Å; I23-F74 HydrophobicContact CD1-CE1 4.15Å; I23-F74 HydrophobicContact CG1-CE1 4.03Å; I23-F74 HydrophobicContact CG1-CZ 4.45Å
24	K	92.7	Very high	92.4	Very high	3 Å²	3	13 Å²	13	1%	0.013	6%	0.063	C	C	.	.	H	α-helix	trans	-65.7	-32.3	179	-68.7	-156.1	-175.6	-70.4	0	112.8	S20 F21 T28 R49 N51 M52 E58 L175	S20-K24 PolarHBondContact O-N 3.27Å; F21-K24 PolarHBondContact O-N 3.2Å; K24-T28 WeakPolarHBondContact O-CB 3.31Å; K24-T28 PolarHBondContact O-N 2.82Å; K24-T28 PolarHBondContact O-OG1 3.43Å; K24-R49 WeakPolarHBondContact CE-O 2.99Å; K24-R49 PolarHBondContact NZ-O 3.37Å; K24-N51 WeakPolarHBondContact CE-O 3.37Å; K24-M52 HydrophobicContact CB-CE 3.89Å; K24-M52 HydrophobicContact CD-CE 3.51Å; K24-M52 HydrophobicContact CG-CE 3.9Å; K24-E58 IonicContact NZ-OE1 2.74Å; K24-E58 PolarHBondContact NZ-OE1 3.23Å; K24-L175 HydrophobicContact CB-CD1 4.46Å; K24-L175 HydrophobicContact CB-CD2 4.02Å; K24-L175 HydrophobicContact CD-CD2 4.44Å
25	S	95.7	Very high	92.3	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-65.6	-42.6	174.3	-60.6	0	0	0	0	111.5	F21 I22 I23 T28 I29 F105 I178	F21-S25 WeakPolarHBondContact CZ-OG 3.3Å; F21-S25 VanDerWaalsContact O-CB 3.31Å; F21-S25 WeakPolarHBondContact O-CB 3.43Å; F21-S25 PolarHBondContact O-N 2.91Å; F21-S25 PolarHBondContact O-OG 2.77Å; I22-S25 WeakPolarHBondContact O-CB 3.39Å; I22-S25 PolarHBondContact O-N 2.8Å; I23-S25 VanDerWaalsContact C-N 3.29Å; I23-S25 PolarHBondContact O-N 2.95Å; S25-T28 PolarHBondContact O-N 3.39Å; S25-I29 WeakPolarHBondContact O-CD1 3.14Å; S25-I29 VanDerWaalsContact O-CG1 3.23Å; S25-I29 WeakPolarHBondContact O-CG1 3.41Å; S25-I29 PolarHBondContact O-N 3.33Å; S25-F105 VanDerWaalsContact CB-CE1 3.49Å; S25-F105 VanDerWaalsContact CB-CZ 3.44Å; S25-I178 WeakPolarHBondContact OG-CD1 3.13Å
26	I	95.7	Very high	92.2	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-60.9	-50.6	174.9	-66.8	163.5	0	0	0	110	I22 I23 T28 I29 V30 I62 I66 L84 F105 L205	I22-I26 HydrophobicContact CG2-CD1 3.9Å; I22-I26 WeakPolarHBondContact O-CG1 3.02Å; I22-I26 PolarHBondContact O-N 3.06Å; I23-I26 PolarHBondContact O-N 3.1Å; I26-T28 VanDerWaalsContact C-N 3.3Å; I26-T28 PolarHBondContact O-N 2.88Å; I26-I29 PolarHBondContact O-N 2.86Å; I26-V30 HydrophobicContact CG2-CG2 3.98Å; I26-V30 VanDerWaalsContact O-CB 3.25Å; I26-V30 WeakPolarHBondContact O-CB 3.5Å; I26-V30 WeakPolarHBondContact O-CG2 3.44Å; I26-V30 PolarHBondContact O-N 2.78Å; I26-I62 HydrophobicContact CG2-CG2 4Å; I26-I66 HydrophobicContact CB-CD1 4.13Å; I26-I66 HydrophobicContact CD1-CD1 4.26Å; I26-I66 HydrophobicContact CD1-CG1 4.22Å; I26-I66 HydrophobicContact CG2-CD1 3.91Å; I26-I66 HydrophobicContact CG2-CG1 4.15Å; I26-L84 HydrophobicContact CG2-CD2 4.47Å; I26-F105 HydrophobicContact CG1-CE2 4.42Å; I26-L205 HydrophobicContact CD1-CD1 3.77Å; I26-L205 HydrophobicContact CD1-CD2 3.98Å; I26-L205 HydrophobicContact CG1-CD1 4.39Å
27	H	93.8	Very high	92.1	Very high	3 Å²	3	14.2 Å²	14.2	1%	0.014	8%	0.08	C	C	.	.	H	α-helix	trans	-52.9	-49.3	174.8	-81.9	-75.2	0	0	0	111.8	I23 I29 V30 Q31 V56 D59	I23-H27 PolarHBondContact O-CD2 3.5Å; I23-H27 VanDerWaalsContact O-CD2 3.29Å; I23-H27 PolarHBondContact O-N 2.93Å; H27-I29 PolarHBondContact O-N 3.14Å; H27-V30 PolarHBondContact O-N 2.6Å; H27-Q31 WeakPolarHBondContact O-CB 3.33Å; H27-Q31 VanDerWaalsContact O-CG 3.23Å; H27-Q31 WeakPolarHBondContact O-CG 3.41Å; H27-Q31 PolarHBondContact O-N 3.07Å; H27-V56 HydrophobicContact CB-CG1 3.86Å; H27-D59 PolarHBondContact CE1-N 3.24Å; H27-D59 VanDerWaalsContact CE1-N 3.34Å; H27-D59 PolarHBondContact CE1-O 3.45Å; H27-D59 VanDerWaalsContact CE1-O 3.32Å; H27-D59 PolarHBondContact ND1-N 3.3Å
28	T	94.4	Very high	91.7	Very high	5 Å²	5	16.8 Å²	16.8	3%	0.031	10%	0.097	C	C	.	.	H	α-helix	trans	-59.6	-45.4	-178.8	-61.9	0	0	0	0	112.7	K24 S25 I26 A32 I178 M179	K24-T28 WeakPolarHBondContact O-CB 3.31Å; K24-T28 PolarHBondContact O-N 2.82Å; K24-T28 PolarHBondContact O-OG1 3.43Å; S25-T28 PolarHBondContact O-N 3.39Å; I26-T28 VanDerWaalsContact C-N 3.3Å; I26-T28 PolarHBondContact O-N 2.88Å; T28-A32 VanDerWaalsContact O-CB 3.28Å; T28-A32 WeakPolarHBondContact O-CB 3.31Å; T28-A32 PolarHBondContact O-N 3.32Å; T28-I178 HydrophobicContact CG2-CG2 4.24Å; T28-M179 HydrophobicContact CG2-CB 4.3Å; T28-M179 HydrophobicContact CG2-CG 3.45Å; T28-M179 VanDerWaalsContact CG2-CG 3.45Å
29	I	96.7	Very high	91.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-70.1	-46.8	-178.3	-66.2	159.1	0	0	0	110.5	S25 I26 H27 A32 R33 L84 I86 W103 F105 I178 T182	S25-I29 WeakPolarHBondContact O-CD1 3.14Å; S25-I29 VanDerWaalsContact O-CG1 3.23Å; S25-I29 WeakPolarHBondContact O-CG1 3.41Å; S25-I29 PolarHBondContact O-N 3.33Å; I26-I29 PolarHBondContact O-N 2.86Å; H27-I29 PolarHBondContact O-N 3.14Å; I29-A32 PolarHBondContact O-N 3.05Å; I29-R33 WeakPolarHBondContact O-CG 3.41Å; I29-R33 PolarHBondContact O-N 3.45Å; I29-L84 HydrophobicContact CB-CD2 3.9Å; I29-L84 HydrophobicContact CD1-CD2 4.11Å; I29-L84 HydrophobicContact CG2-CD2 3.65Å; I29-I86 HydrophobicContact CG2-CD1 4.18Å; I29-I86 HydrophobicContact CG2-CG1 4.42Å; I29-W103 HydrophobicContact CD1-CB 4.19Å; I29-W103 HydrophobicContact CD1-CD2 3.54Å; I29-W103 HydrophobicContact CD1-CE3 3.51Å; I29-W103 HydrophobicContact CD1-CG 3.85Å; I29-W103 HydrophobicContact CD1-CZ3 4.06Å; I29-W103 HydrophobicContact CG1-CD2 4.06Å; I29-W103 HydrophobicContact CG1-CE3 4.15Å; I29-W103 HydrophobicContact CG1-CH2 4.41Å; I29-W103 HydrophobicContact CG1-CZ2 4.32Å; I29-W103 HydrophobicContact CG1-CZ3 4.31Å; I29-W103 HydrophobicContact CG2-CD2 4.2Å; I29-W103 HydrophobicContact CG2-CG 4.15Å; I29-W103 HydrophobicContact CG2-CZ2 4.45Å; I29-F105 HydrophobicContact CD1-CE2 4.32Å; I29-F105 HydrophobicContact CD1-CZ 3.72Å; I29-I178 HydrophobicContact CD1-CG2 4.1Å; I29-I178 HydrophobicContact CG1-CG2 3.71Å; I29-T182 HydrophobicContact CB-CG2 4.19Å; I29-T182 HydrophobicContact CG1-CG2 3.69Å; I29-T182 HydrophobicContact CG2-CG2 4.35Å
30	V	95.6	Very high	90.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-65.8	-49	-176.2	173.3	0	0	0	0	109.9	I26 H27 A32 R33 N34 I62 L84 Y203 F365	I26-V30 HydrophobicContact CG2-CG2 3.98Å; I26-V30 VanDerWaalsContact O-CB 3.25Å; I26-V30 WeakPolarHBondContact O-CB 3.5Å; I26-V30 WeakPolarHBondContact O-CG2 3.44Å; I26-V30 PolarHBondContact O-N 2.78Å; H27-V30 PolarHBondContact O-N 2.6Å; V30-A32 VanDerWaalsContact C-N 3.26Å; V30-A32 PolarHBondContact O-N 3.13Å; V30-R33 WeakPolarHBondContact O-CA 3.47Å; V30-R33 WeakPolarHBondContact O-CB 3.28Å; V30-R33 PolarHBondContact O-N 3.49Å; V30-N34 PolarHBondContact O-N 3.06Å; V30-N34 PolarHBondContact O-OD1 2.79Å; V30-I62 HydrophobicContact CB-CD1 3.84Å; V30-I62 HydrophobicContact CG1-CD1 3.37Å; V30-I62 HydrophobicContact CG1-CG1 3.74Å; V30-L84 HydrophobicContact CG2-CD1 4.04Å; V30-L84 HydrophobicContact CG2-CD2 3.94Å; V30-Y203 HydrophobicContact CG1-CD1 3.64Å; V30-Y203 HydrophobicContact CG1-CE1 3.52Å; V30-Y203 HydrophobicContact CG1-CG 4.2Å; V30-Y203 HydrophobicContact CG2-CD1 4.27Å; V30-Y203 HydrophobicContact CG2-CD2 4.01Å; V30-Y203 HydrophobicContact CG2-CE2 4.31Å; V30-Y203 HydrophobicContact CG2-CG 3.99Å; V30-F365 HydrophobicContact CB-CE1 4.43Å; V30-F365 HydrophobicContact CG1-CD1 4.44Å; V30-F365 HydrophobicContact CG1-CE1 3.37Å; V30-F365 HydrophobicContact CG1-CZ 3.9Å; V30-F365 WeakPolarHBondContact O-CE1 3.23Å
31	Q	92.7	Very high	90.1	Very high	27 Å²	27	25.8 Å²	25.8	13%	0.126	15%	0.147	C	C	.	.	H	α-helix	trans	-59.5	-34.6	175.2	-72.7	174.4	-17.4	0	0	113	H27 R33 N34 E57 I62	H27-Q31 WeakPolarHBondContact O-CB 3.33Å; H27-Q31 VanDerWaalsContact O-CG 3.23Å; H27-Q31 WeakPolarHBondContact O-CG 3.41Å; H27-Q31 PolarHBondContact O-N 3.07Å; Q31-R33 PolarHBondContact O-N 3.2Å; Q31-R33 VanDerWaalsContact O-N 3.11Å; Q31-N34 PolarHBondContact O-N 3.29Å; Q31-E57 PolarHBondContact NE2-O 2.89Å; Q31-I62 HydrophobicContact CG-CD1 3.97Å
32	A	93.5	Very high	89.1	Confident	3 Å²	3	30.9 Å²	30.9	3%	0.025	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-4.3	174.1	0	0	0	0	0	113.7	T28 I29 V30 Y188 S191	T28-A32 VanDerWaalsContact O-CB 3.28Å; T28-A32 WeakPolarHBondContact O-CB 3.31Å; T28-A32 PolarHBondContact O-N 3.32Å; I29-A32 PolarHBondContact O-N 3.05Å; V30-A32 VanDerWaalsContact C-N 3.26Å; V30-A32 PolarHBondContact O-N 3.13Å; A32-Y188 WeakPolarHBondContact O-CD2 3.17Å; A32-S191 PolarHBondContact O-OG 3.16Å
33	R	94.2	Very high	88	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.6	0.7	175.1	-58.2	-67	175.3	-90.5	-0.5	113.4	I29 V30 Q31 G35 I86 E101 T182 S191 Q194 F365	I29-R33 WeakPolarHBondContact O-CG 3.41Å; I29-R33 PolarHBondContact O-N 3.45Å; V30-R33 WeakPolarHBondContact O-CA 3.47Å; V30-R33 WeakPolarHBondContact O-CB 3.28Å; V30-R33 PolarHBondContact O-N 3.49Å; Q31-R33 PolarHBondContact O-N 3.2Å; Q31-R33 VanDerWaalsContact O-N 3.11Å; R33-G35 PolarHBondContact O-N 3.5Å; R33-I86 HydrophobicContact CB-CG2 4.48Å; R33-I86 HydrophobicContact CG-CD1 4.14Å; R33-I86 HydrophobicContact CG-CG1 4.26Å; R33-I86 HydrophobicContact CG-CG2 3.86Å; R33-E101 IonicContact CZ-OE1 2.72Å; R33-E101 VanDerWaalsContact CZ-OE1 3.3Å; R33-E101 IonicContact CZ-OE2 2.66Å; R33-E101 VanDerWaalsContact CZ-OE2 3.31Å; R33-E101 IonicContact NE-OE1 2.68Å; R33-E101 PolarHBondContact NE-OE1 2.93Å; R33-E101 IonicContact NE-OE2 3.96Å; R33-E101 PolarHBondContact NE-OE2 2.68Å; R33-E101 VanDerWaalsContact NE-OE2 3.14Å; R33-E101 IonicContact NH2-OE1 2.87Å; R33-E101 PolarHBondContact NH2-OE1 3.42Å; R33-E101 IonicContact NH2-OE2 2.84Å; R33-E101 PolarHBondContact NH2-OE2 2.84Å; R33-T182 PolarHBondContact NH1-O 3.3Å; R33-T182 PolarHBondContact NH2-O 2.97Å; R33-S191 WeakPolarHBondContact O-CB 3.32Å; R33-Q194 PolarHBondContact O-NE2 2.76Å; R33-Q194 VanDerWaalsContact O-NE2 3.07Å; R33-F365 HydrophobicContact CB-CE2 3.97Å; R33-F365 HydrophobicContact CB-CZ 3.78Å
34	N	89.1	Confident	86.7	Confident	22 Å²	22	36.5 Å²	36.5	12%	0.118	22%	0.221	C	C	.	.	S	Bend	trans	-70	-8.9	175.3	-68	27.6	0	0	0	113.2	V30 Q31 I36 Q194 F365	V30-N34 PolarHBondContact O-N 3.06Å; V30-N34 PolarHBondContact O-OD1 2.79Å; Q31-N34 PolarHBondContact O-N 3.29Å; N34-I36 PolarHBondContact O-N 3.2Å; N34-Q194 VanDerWaalsContact C-NE2 3.31Å; N34-Q194 PolarHBondContact O-NE2 3.47Å; N34-F365 HydrophobicContact CB-CD1 4.42Å; N34-F365 WeakPolarHBondContact OD1-CD1 3.5Å; N34-F365 WeakPolarHBondContact OD1-CE1 3.29Å
35	G	86.5	Confident	85.3	Confident	17 Å²	17	43.9 Å²	43.9	18%	0.175	26%	0.256	C	S	.	.	S	Bend	trans	80.9	-5.2	-178.4	0	0	0	0	0	115.2	R33 S191 R192	R33-G35 PolarHBondContact O-N 3.5Å; G35-S191 WeakPolarHBondContact CA-O 3.34Å; G35-R192 VanDerWaalsContact O-CZ 3.27Å; G35-R192 PolarHBondContact O-NE 2.72Å; G35-R192 VanDerWaalsContact O-NE 3.08Å
36	I	85.3	Confident	83.6	Confident	75 Å²	75	47.1 Å²	47.1	39%	0.385	28%	0.275	S	S	.	.	S	Bend	trans	-98.8	146.3	179.2	-57.1	173.3	0	0	0	109.8	N34 C38	N34-I36 PolarHBondContact O-N 3.2Å; I36-C38 PolarHBondContact O-N 2.89Å
37	V	84.7	Confident	81.9	Confident	47 Å²	47	48.8 Å²	48.8	29%	0.285	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-71.1	116.6	168.9	-174.6	0	0	0	0	107.5	R192 N551	V37-R192 VanDerWaalsContact N-NH1 3.13Å; V37-N551 WeakPolarHBondContact CG2-ND2 3.42Å
38	C	80	Confident	80.1	Confident	55 Å²	55	50 Å²	50	37%	0.372	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-82.1	120.7	170.7	-59.1	0	0	0	0	108.5	I36	I36-C38 PolarHBondContact O-N 2.89Å
39	N	82.4	Confident	78.2	Confident	85 Å²	85	58.4 Å²	58.4	46%	0.455	34%	0.335	S	S	.	.			trans	-120.9	130.8	171.5	-166.6	-3	0	0	0	108.4	D553	N39-D553 PolarHBondContact ND2-O 3.44Å
40	T	79.1	Confident	76.3	Confident	38 Å²	38	59 Å²	59	23%	0.233	34%	0.338	C	S	.	.			trans	-127	137.3	178	52.6	0	0	0	0	109.7	Y55	T40-Y55 HydrophobicContact CG2-CD1 3.77Å; T40-Y55 HydrophobicContact CG2-CE1 4.11Å; T40-Y55 PolarHBondContact OG1-O 3.41Å
41	N	78.3	Confident	74.8	Confident	121 Å²	121	59.4 Å²	59.4	65%	0.647	34%	0.34	S	S	*	.			trans	-76	147.2	176.5	-66.8	-39.4	0	0	0	110.1	V43	N41-V43 PolarHBondContact O-N 2.84Å
42	C	73.7	Confident	74	Confident	106 Å²	106	58.1 Å²	58.1	72%	0.716	33%	0.334	S	S	*	.			trans	-65.9	127.2	164.8	-61.4	0	0	0	0	108.8
43	V	69.8	Low	73.1	Confident	67 Å²	67	63.5 Å²	63.5	41%	0.406	36%	0.36	S	S	.	.			trans	-109.6	120.5	174.8	-175.4	0	0	0	0	107.3	N41 E45 Y55	N41-V43 PolarHBondContact O-N 2.84Å; V43-E45 VanDerWaalsContact C-N 3.28Å; V43-E45 HydrophobicContact CG1-CB 4.21Å; V43-Y55 HydrophobicContact CG2-CD2 4.39Å
44	S	66	Low	72.4	Confident	93 Å²	93	64 Å²	64	65%	0.65	36%	0.364	S	S	*	.	S	Bend	trans	-69.5	-28.6	178.6	48.9	0	0	0	0	112.3	V46	S44-V46 PolarHBondContact O-N 3.08Å
45	E	64.4	Low	72.1	Confident	157 Å²	157	67 Å²	67	73%	0.734	37%	0.374	S	S	*	.	S	Bend	trans	-78.3	109.2	174.8	-66.8	-175.4	175.9	0	0	110.4	V43 G47	V43-E45 VanDerWaalsContact C-N 3.28Å; V43-E45 HydrophobicContact CG1-CB 4.21Å; E45-G47 VanDerWaalsContact C-N 3.26Å; E45-G47 PolarHBondContact O-N 3.08Å
46	V	59.9	Low	72	Confident	68 Å²	68	66.7 Å²	66.7	41%	0.412	37%	0.368	S	S	.	.			trans	-77.5	82.5	171.3	-170.3	0	0	0	0	107.7	S44 A394	S44-V46 PolarHBondContact O-N 3.08Å; V46-A394 HydrophobicContact CG1-CB 3.67Å
47	G	59.8	Low	72	Confident	36 Å²	36	67.5 Å²	67.5	37%	0.371	37%	0.37	S	S	.	.			trans	-80.1	164.8	168.1	0	0	0	0	0	111.5	E45 R49 N50	E45-G47 VanDerWaalsContact C-N 3.26Å; E45-G47 PolarHBondContact O-N 3.08Å; G47-R49 PolarHBondContact O-N 3.09Å; G47-N50 PolarHBondContact O-N 3.44Å
48	A	55.9	Low	72	Confident	29 Å²	29	69.7 Å²	69.7	24%	0.24	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-21.4	176.5	0	0	0	0	0	114.8	N51 L390 D392	A48-N51 PolarHBondContact O-ND2 2.99Å; A48-N51 PolarHBondContact O-OD1 2.8Å; A48-N51 VanDerWaalsContact O-OD1 3.06Å; A48-L390 HydrophobicContact CB-CD2 3.98Å; A48-L390 HydrophobicContact CB-CG 4.36Å; A48-D392 HydrophobicContact CB-CB 3.69Å
49	R	54.1	Low	72.4	Confident	180 Å²	180	68 Å²	68	68%	0.679	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-25.1	175.8	-69.4	-175.4	176.3	162	0	113.3	K24 G47 N51 L390	K24-R49 WeakPolarHBondContact CE-O 2.99Å; K24-R49 PolarHBondContact NZ-O 3.37Å; G47-R49 PolarHBondContact O-N 3.09Å; R49-N51 VanDerWaalsContact C-N 3.26Å; R49-N51 PolarHBondContact O-N 2.81Å; R49-L390 HydrophobicContact CG-CD2 4.44Å
50	N	56.8	Low	72.8	Confident	14 Å²	14	68.8 Å²	68.8	8%	0.075	38%	0.375	C	S	.	.	S	Bend	trans	-94.6	36.1	-178.7	-160.7	8.4	0	0	0	112.4	G47 M52 M53 V54 Y55	G47-N50 PolarHBondContact O-N 3.44Å; N50-M52 PolarHBondContact O-N 2.89Å; N50-M53 PolarHBondContact O-N 2.98Å; N50-V54 PolarHBondContact OD1-N 2.85Å; N50-V54 PolarHBondContact OD1-O 3.24Å; N50-V54 VanDerWaalsContact OD1-O 3.13Å; N50-Y55 HydrophobicContact CB-CD2 4.49Å; N50-Y55 VanDerWaalsContact OD1-CA 3.32Å; N50-Y55 WeakPolarHBondContact OD1-CA 3.34Å; N50-Y55 PolarHBondContact OD1-N 3.37Å
51	N	65.2	Low	73.3	Confident	7 Å²	7	71.6 Å²	71.6	4%	0.037	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	133.4	176.4	-68.1	-17.3	0	0	0	110	K24 A48 R49 F168 D392	K24-N51 WeakPolarHBondContact CE-O 3.37Å; A48-N51 PolarHBondContact O-ND2 2.99Å; A48-N51 PolarHBondContact O-OD1 2.8Å; A48-N51 VanDerWaalsContact O-OD1 3.06Å; R49-N51 VanDerWaalsContact C-N 3.26Å; R49-N51 PolarHBondContact O-N 2.81Å; N51-F168 HydrophobicContact CB-CE2 4.11Å; N51-F168 HydrophobicContact CB-CZ 3.85Å; N51-D392 PolarHBondContact OD1-OD1 3.49Å
52	M	75.9	Confident	73.9	Confident	1 Å²	1	66 Å²	66	1%	0.005	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	16.5	-178.3	-52.1	172	-73	0	0	115.5	F21 K24 N50 V54 F168 L171 G172 L175	F21-M52 HydrophobicContact CB-CE 4.41Å; F21-M52 HydrophobicContact CB-SD 3.81Å; F21-M52 HydrophobicContact CD2-SD 3.93Å; F21-M52 HydrophobicContact CG-SD 4.38Å; K24-M52 HydrophobicContact CB-CE 3.89Å; K24-M52 HydrophobicContact CD-CE 3.51Å; K24-M52 HydrophobicContact CG-CE 3.9Å; N50-M52 PolarHBondContact O-N 2.89Å; M52-V54 PolarHBondContact O-N 3.28Å; M52-F168 VanDerWaalsContact CA-CE1 3.42Å; M52-F168 HydrophobicContact CB-CE2 4.42Å; M52-F168 HydrophobicContact CB-CZ 4.4Å; M52-F168 HydrophobicContact CG-CD2 3.81Å; M52-F168 HydrophobicContact CG-CE1 4.46Å; M52-F168 HydrophobicContact CG-CE2 3.57Å; M52-F168 HydrophobicContact CG-CG 4.38Å; M52-F168 HydrophobicContact CG-CZ 4.01Å; M52-L171 HydrophobicContact CG-CB 4.5Å; M52-L171 HydrophobicContact SD-CB 3.85Å; M52-G172 WeakPolarHBondContact O-CA 3.27Å; M52-L175 HydrophobicContact CE-CD2 3.92Å
53	M	74	Confident	74.8	Confident	115 Å²	115	61.9 Å²	61.9	57%	0.567	33%	0.33	S	S	*	.	S	Bend	trans	59.3	27.9	178.2	-52.5	-170.3	-72	0	0	113.3	N50 E169	N50-M53 PolarHBondContact O-N 2.98Å; M53-E169 HydrophobicContact CE-CG 4.22Å
54	V	79.3	Confident	75.7	Confident	12 Å²	12	61.2 Å²	61.2	7%	0.073	33%	0.332	C	S	.	.			trans	-136.4	117.1	176.7	-178.9	0	0	0	0	108	N50 M52 V56 L175 K176 M179	N50-V54 PolarHBondContact OD1-N 2.85Å; N50-V54 PolarHBondContact OD1-O 3.24Å; N50-V54 VanDerWaalsContact OD1-O 3.13Å; M52-V54 PolarHBondContact O-N 3.28Å; V54-V56 HydrophobicContact CG1-CG2 4.04Å; V54-V56 PolarHBondContact O-N 2.84Å; V54-L175 HydrophobicContact CB-CD2 4.06Å; V54-L175 HydrophobicContact CG1-CD2 4.18Å; V54-K176 HydrophobicContact CG2-CD 4.36Å; V54-K176 HydrophobicContact CG2-CG 3.84Å; V54-M179 HydrophobicContact CG1-SD 3.68Å
55	Y	82.8	Confident	76.9	Confident	85 Å²	85	57.3 Å²	57.3	33%	0.333	30%	0.304	S	S	.	.			trans	-83	109.3	178.9	-173.9	-91.6	0	0	0	109.9	T40 V43 N50 E57	T40-Y55 HydrophobicContact CG2-CD1 3.77Å; T40-Y55 HydrophobicContact CG2-CE1 4.11Å; T40-Y55 PolarHBondContact OG1-O 3.41Å; V43-Y55 HydrophobicContact CG2-CD2 4.39Å; N50-Y55 HydrophobicContact CB-CD2 4.49Å; N50-Y55 VanDerWaalsContact OD1-CA 3.32Å; N50-Y55 WeakPolarHBondContact OD1-CA 3.34Å; N50-Y55 PolarHBondContact OD1-N 3.37Å; Y55-E57 HydrophobicContact CE1-CB 4.2Å
56	V	85.3	Confident	78.2	Confident	9 Å²	9	50.1 Å²	50.1	6%	0.055	27%	0.271	C	S	.	.			trans	-116.1	115	170.8	-176.3	0	0	0	0	106.6	H27 V54 E58 L175	H27-V56 HydrophobicContact CB-CG1 3.86Å; V54-V56 HydrophobicContact CG1-CG2 4.04Å; V54-V56 PolarHBondContact O-N 2.84Å; V56-E58 PolarHBondContact O-N 2.84Å; V56-L175 HydrophobicContact CG2-CD2 4.39Å
57	E	84.4	Confident	79.7	Confident	92 Å²	92	53.1 Å²	53.1	43%	0.43	28%	0.278	S	S	.	.			trans	-64.4	131.7	175.5	-174.4	172.9	-174.6	0	0	109.3	Q31 Y55	Q31-E57 PolarHBondContact NE2-O 2.89Å; Y55-E57 HydrophobicContact CE1-CB 4.2Å
58	E	85.4	Confident	81.1	Confident	93 Å²	93	58 Å²	58	44%	0.435	29%	0.291	S	S	.	.			trans	-89.9	115	-176.2	-68.2	178.3	-174.7	0	0	109.7	K24 V56	K24-E58 IonicContact NZ-OE1 2.74Å; K24-E58 PolarHBondContact NZ-OE1 3.23Å; V56-E58 PolarHBondContact O-N 2.84Å
59	D	86.9	Confident	82.6	Confident	20 Å²	20	59.3 Å²	59.3	11%	0.107	30%	0.296	C	S	.	.			trans	-77.9	121.7	174.4	-171.1	-42.1	0	0	0	110.3	H27 E61 I62 G63	H27-D59 PolarHBondContact CE1-N 3.24Å; H27-D59 VanDerWaalsContact CE1-N 3.34Å; H27-D59 PolarHBondContact CE1-O 3.45Å; H27-D59 VanDerWaalsContact CE1-O 3.32Å; H27-D59 PolarHBondContact ND1-N 3.3Å; D59-E61 VanDerWaalsContact C-N 3.26Å; D59-E61 PolarHBondContact O-N 3.49Å; D59-E61 PolarHBondContact OD1-N 3.03Å; D59-I62 HydrophobicContact CB-CB 4.15Å; D59-I62 HydrophobicContact CB-CD1 3.62Å; D59-I62 HydrophobicContact CB-CG1 3.76Å; D59-I62 PolarHBondContact O-N 3.02Å; D59-G63 PolarHBondContact O-N 2.92Å
60	P	90.7	Very high	84.3	Confident	102 Å²	102	51 Å²	51	66%	0.662	27%	0.265	S	S	*	.	H	α-helix	trans	-56.9	-33.2	-178.7	-25.8	34.8	0	0	0	114.7	G63 A64	P60-G63 PolarHBondContact O-N 3.16Å; P60-A64 WeakPolarHBondContact O-CB 3.45Å; P60-A64 PolarHBondContact O-N 3.1Å
61	E	89.8	Confident	85.6	Confident	96 Å²	96	55.7 Å²	55.7	45%	0.449	29%	0.29	S	S	.	.	H	α-helix	trans	-71.3	-40.5	-179	-64.5	-177.6	-177.7	0	0	111.1	D59 A64 T65	D59-E61 VanDerWaalsContact C-N 3.26Å; D59-E61 PolarHBondContact O-N 3.49Å; D59-E61 PolarHBondContact OD1-N 3.03Å; E61-A64 PolarHBondContact O-N 3.13Å; E61-T65 PolarHBondContact O-N 2.97Å; E61-T65 PolarHBondContact O-OG1 2.82Å
62	I	92.1	Very high	86	Confident	5 Å²	5	58 Å²	58	3%	0.026	31%	0.311	C	S	.	.	H	α-helix	trans	-64.4	-44.9	172.6	-55	178	0	0	0	109.5	I26 V30 Q31 D59 A64 T65 I66	I26-I62 HydrophobicContact CG2-CG2 4Å; V30-I62 HydrophobicContact CB-CD1 3.84Å; V30-I62 HydrophobicContact CG1-CD1 3.37Å; V30-I62 HydrophobicContact CG1-CG1 3.74Å; Q31-I62 HydrophobicContact CG-CD1 3.97Å; D59-I62 HydrophobicContact CB-CB 4.15Å; D59-I62 HydrophobicContact CB-CD1 3.62Å; D59-I62 HydrophobicContact CB-CG1 3.76Å; D59-I62 PolarHBondContact O-N 3.02Å; I62-A64 VanDerWaalsContact C-N 3.33Å; I62-A64 PolarHBondContact O-N 2.82Å; I62-T65 WeakPolarHBondContact O-CB 3.44Å; I62-T65 PolarHBondContact O-N 3.3Å; I62-T65 VanDerWaalsContact O-N 3.17Å; I62-I66 HydrophobicContact CG2-CD1 4.02Å; I62-I66 WeakPolarHBondContact O-CG1 3.32Å; I62-I66 PolarHBondContact O-N 3.02Å
63	G	91.2	Very high	86.4	Confident	18 Å²	18	64.3 Å²	64.3	19%	0.186	34%	0.344	C	S	.	.	H	α-helix	trans	-58.4	-42.7	176.7	0	0	0	0	0	112.7	D59 P60 I66 K67	D59-G63 PolarHBondContact O-N 2.92Å; P60-G63 PolarHBondContact O-N 3.16Å; G63-I66 PolarHBondContact O-N 2.68Å; G63-K67 VanDerWaalsContact O-CG 3.31Å; G63-K67 WeakPolarHBondContact O-CG 3.31Å; G63-K67 PolarHBondContact O-N 3.44Å
64	A	90.8	Very high	86.9	Confident	54 Å²	54	58.9 Å²	58.9	45%	0.446	32%	0.318	S	S	.	.	H	α-helix	trans	-63	-43.1	175	0	0	0	0	0	111.8	P60 E61 I62 I66 K67 Q68	P60-A64 WeakPolarHBondContact O-CB 3.45Å; P60-A64 PolarHBondContact O-N 3.1Å; E61-A64 PolarHBondContact O-N 3.13Å; I62-A64 VanDerWaalsContact C-N 3.33Å; I62-A64 PolarHBondContact O-N 2.82Å; A64-I66 PolarHBondContact O-N 2.87Å; A64-K67 PolarHBondContact O-N 3.41Å; A64-Q68 WeakPolarHBondContact O-CB 3.47Å; A64-Q68 PolarHBondContact O-N 3.26Å
65	T	90.5	Very high	87.1	Confident	10 Å²	10	60.6 Å²	60.6	6%	0.061	33%	0.329	C	S	.	.	H	α-helix	trans	-60.2	-45	177.1	-50.5	0	0	0	0	112.1	E61 I62 Q68 T69 Y203 I363	E61-T65 PolarHBondContact O-N 2.97Å; E61-T65 PolarHBondContact O-OG1 2.82Å; I62-T65 WeakPolarHBondContact O-CB 3.44Å; I62-T65 PolarHBondContact O-N 3.3Å; I62-T65 VanDerWaalsContact O-N 3.17Å; T65-Q68 PolarHBondContact O-N 2.97Å; T65-T69 VanDerWaalsContact O-CB 3.26Å; T65-T69 WeakPolarHBondContact O-CB 3.5Å; T65-T69 PolarHBondContact O-N 2.72Å; T65-T69 PolarHBondContact O-OG1 2.77Å; T65-Y203 HydrophobicContact CG2-CE2 3.78Å; T65-Y203 PolarHBondContact OG1-OH 2.8Å; T65-I363 HydrophobicContact CG2-CD1 3.47Å; T65-I363 VanDerWaalsContact CG2-CD1 3.47Å; T65-I363 WeakPolarHBondContact OG1-CD1 3.43Å
66	I	91.7	Very high	87.3	Confident	7 Å²	7	56.8 Å²	56.8	4%	0.036	31%	0.314	C	S	.	.	H	α-helix	trans	-61.2	-48.9	177.7	-68.6	168.8	0	0	0	109.6	I23 I26 I62 G63 A64 Q68 T69 L70 F74 L205	I23-I66 HydrophobicContact CG1-CG2 4.16Å; I23-I66 HydrophobicContact CG2-CD1 4.08Å; I26-I66 HydrophobicContact CB-CD1 4.13Å; I26-I66 HydrophobicContact CD1-CD1 4.26Å; I26-I66 HydrophobicContact CD1-CG1 4.22Å; I26-I66 HydrophobicContact CG2-CD1 3.91Å; I26-I66 HydrophobicContact CG2-CG1 4.15Å; I62-I66 HydrophobicContact CG2-CD1 4.02Å; I62-I66 WeakPolarHBondContact O-CG1 3.32Å; I62-I66 PolarHBondContact O-N 3.02Å; G63-I66 PolarHBondContact O-N 2.68Å; A64-I66 PolarHBondContact O-N 2.87Å; I66-Q68 VanDerWaalsContact C-N 3.32Å; I66-Q68 PolarHBondContact O-N 3.39Å; I66-T69 PolarHBondContact O-N 2.77Å; I66-L70 HydrophobicContact CG2-CD1 4.49Å; I66-L70 WeakPolarHBondContact O-CB 3.3Å; I66-L70 PolarHBondContact O-N 3.32Å; I66-F74 HydrophobicContact CG2-CE1 4.44Å; I66-L205 HydrophobicContact CB-CD2 4.47Å; I66-L205 HydrophobicContact CG1-CD2 3.95Å
67	K	90.9	Very high	87.4	Confident	130 Å²	130	59.3 Å²	59.3	57%	0.565	33%	0.325	S	S	*	.	H	α-helix	trans	-60.4	-40.2	178.5	-72.8	177.7	-179.2	-174.3	0	112.2	G63 A64 D71 A72	G63-K67 VanDerWaalsContact O-CG 3.31Å; G63-K67 WeakPolarHBondContact O-CG 3.31Å; G63-K67 PolarHBondContact O-N 3.44Å; A64-K67 PolarHBondContact O-N 3.41Å; K67-D71 WeakPolarHBondContact O-CA 3.41Å; K67-D71 PolarHBondContact O-N 2.88Å; K67-D71 VanDerWaalsContact O-N 3.13Å; K67-A72 HydrophobicContact CG-CB 4.14Å
68	Q	88.9	Confident	87.5	Confident	139 Å²	139	55.7 Å²	55.7	65%	0.65	31%	0.31	S	S	*	.	H	α-helix	trans	-72.4	-35.9	179.7	-174.5	-179	3.9	0	0	112.8	A64 T65 I66	A64-Q68 WeakPolarHBondContact O-CB 3.47Å; A64-Q68 PolarHBondContact O-N 3.26Å; T65-Q68 PolarHBondContact O-N 2.97Å; I66-Q68 VanDerWaalsContact C-N 3.32Å; I66-Q68 PolarHBondContact O-N 3.39Å
69	T	88.2	Confident	87.6	Confident	57 Å²	57	57.2 Å²	57.2	35%	0.35	32%	0.317	S	S	.	.	H	α-helix	trans	-88.7	-39.8	-172.7	-54.8	0	0	0	0	112.7	T65 I66 L205	T65-T69 VanDerWaalsContact O-CB 3.26Å; T65-T69 WeakPolarHBondContact O-CB 3.5Å; T65-T69 PolarHBondContact O-N 2.72Å; T65-T69 PolarHBondContact O-OG1 2.77Å; I66-T69 PolarHBondContact O-N 2.77Å; T69-L205 HydrophobicContact CG2-CB 4.15Å; T69-L205 HydrophobicContact CG2-CD2 4.31Å; T69-L205 HydrophobicContact CG2-CG 3.98Å; T69-L205 VanDerWaalsContact CG2-O 3.22Å; T69-L205 WeakPolarHBondContact CG2-O 3.48Å
70	L	88.7	Confident	87.8	Confident	5 Å²	5	57.2 Å²	57.2	3%	0.026	32%	0.317	C	S	.	.	H	α-helix	trans	-107.3	-19.4	-173.3	-57.9	-176.5	0	0	0	113	I66 F74 L82 L205 R207	I66-L70 HydrophobicContact CG2-CD1 4.49Å; I66-L70 WeakPolarHBondContact O-CB 3.3Å; I66-L70 PolarHBondContact O-N 3.32Å; L70-F74 HydrophobicContact CB-CB 3.87Å; L70-F74 HydrophobicContact CB-CD1 3.63Å; L70-F74 HydrophobicContact CB-CD2 4.43Å; L70-F74 HydrophobicContact CB-CE1 4.2Å; L70-F74 HydrophobicContact CB-CG 3.76Å; L70-F74 HydrophobicContact CD1-CD1 4.1Å; L70-F74 HydrophobicContact CD1-CD2 4.45Å; L70-F74 HydrophobicContact CD1-CE1 3.81Å; L70-F74 HydrophobicContact CD1-CE2 4.19Å; L70-F74 HydrophobicContact CD1-CG 4.41Å; L70-F74 HydrophobicContact CD1-CZ 3.86Å; L70-F74 WeakPolarHBondContact O-CB 3.3Å; L70-L82 HydrophobicContact CD1-CD1 4.24Å; L70-L82 HydrophobicContact CD1-CD2 4.19Å; L70-L82 HydrophobicContact CD2-CD2 3.6Å; L70-L205 HydrophobicContact CD1-CD2 3.96Å; L70-L205 HydrophobicContact CG-CD2 4.03Å; L70-L205 HydrophobicContact CG-CG 4.49Å; L70-R207 HydrophobicContact CD2-CB 4.3Å
71	D	85	Confident	87.9	Confident	112 Å²	112	53.7 Å²	53.7	60%	0.599	29%	0.292	S	S	*	.			trans	79.8	149.8	-160.5	-52.8	-49.3	0	0	0	113.2	K67 N73 F74	K67-D71 WeakPolarHBondContact O-CA 3.41Å; K67-D71 PolarHBondContact O-N 2.88Å; K67-D71 VanDerWaalsContact O-N 3.13Å; D71-N73 VanDerWaalsContact C-N 3.25Å; D71-N73 PolarHBondContact O-N 3.06Å; D71-F74 WeakPolarHBondContact O-CD1 3.46Å; D71-F74 PolarHBondContact O-N 2.9Å
72	A	74.4	Confident	88.1	Confident	57 Å²	57	49.4 Å²	49.4	47%	0.471	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-33.5	-176	0	0	0	0	0	113.5	K67	K67-A72 HydrophobicContact CG-CB 4.14Å
73	N	82.6	Confident	88.3	Confident	132 Å²	132	49.2 Å²	49.2	71%	0.706	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.4	40	-179.2	-74.9	-14.4	0	0	0	111.7	D71	D71-N73 VanDerWaalsContact C-N 3.25Å; D71-N73 PolarHBondContact O-N 3.06Å
74	F	84.3	Confident	88.6	Confident	2 Å²	2	48.3 Å²	48.3	1%	0.009	26%	0.262	C	S	.	.			trans	-52.9	128.2	-175.9	71.4	-94.7	0	0	0	112.1	R19 I22 I23 I66 L70 D71 V76 L82	R19-F74 HydrophobicContact CB-CZ 4.48Å; R19-F74 HydrophobicContact CG-CD1 4.14Å; R19-F74 HydrophobicContact CG-CE1 3.66Å; R19-F74 HydrophobicContact CG-CE2 4.23Å; R19-F74 HydrophobicContact CG-CZ 3.71Å; R19-F74 VanDerWaalsContact CZ-O 3.24Å; R19-F74 PolarHBondContact NE-O 3.28Å; R19-F74 PolarHBondContact NH2-O 2.6Å; I22-F74 HydrophobicContact CB-CZ 4.35Å; I22-F74 HydrophobicContact CD1-CE2 4.38Å; I22-F74 HydrophobicContact CG2-CZ 3.99Å; I23-F74 HydrophobicContact CD1-CE1 4.15Å; I23-F74 HydrophobicContact CG1-CE1 4.03Å; I23-F74 HydrophobicContact CG1-CZ 4.45Å; I66-F74 HydrophobicContact CG2-CE1 4.44Å; L70-F74 HydrophobicContact CB-CB 3.87Å; L70-F74 HydrophobicContact CB-CD1 3.63Å; L70-F74 HydrophobicContact CB-CD2 4.43Å; L70-F74 HydrophobicContact CB-CE1 4.2Å; L70-F74 HydrophobicContact CB-CG 3.76Å; L70-F74 HydrophobicContact CD1-CD1 4.1Å; L70-F74 HydrophobicContact CD1-CD2 4.45Å; L70-F74 HydrophobicContact CD1-CE1 3.81Å; L70-F74 HydrophobicContact CD1-CE2 4.19Å; L70-F74 HydrophobicContact CD1-CG 4.41Å; L70-F74 HydrophobicContact CD1-CZ 3.86Å; L70-F74 WeakPolarHBondContact O-CB 3.3Å; D71-F74 WeakPolarHBondContact O-CD1 3.46Å; D71-F74 PolarHBondContact O-N 2.9Å; F74-V76 HydrophobicContact CD2-CG2 4.08Å; F74-V76 HydrophobicContact CE2-CG2 3.74Å; F74-L82 HydrophobicContact CE2-CD1 3.91Å; F74-L82 HydrophobicContact CZ-CD1 4.39Å
75	P	84.4	Confident	88.8	Confident	47 Å²	47	46 Å²	46	31%	0.305	24%	0.243	S	C	.	.			trans	-73.8	140.5	179.3	30.4	-35.7	0	0	0	110.5	E15 H77 R207	E15-P75 VanDerWaalsContact OE1-CA 3.25Å; E15-P75 WeakPolarHBondContact OE1-CA 3.23Å; P75-H77 WeakPolarHBondContact CB-CE1 3.44Å; P75-H77 WeakPolarHBondContact CG-CE1 3.18Å; P75-R207 PolarHBondContact O-NH2 2.92Å
76	V	87.2	Confident	89.1	Confident	5 Å²	5	45.6 Å²	45.6	3%	0.03	24%	0.24	C	C	.	.			trans	-105.3	105.1	176.4	-169.5	0	0	0	0	108.9	E15 L18 R19 I22 F74 L107	E15-V76 HydrophobicContact CG-CB 3.97Å; E15-V76 HydrophobicContact CG-CG2 4.4Å; E15-V76 PolarHBondContact OE1-N 3.1Å; L18-V76 HydrophobicContact CB-CG1 4.41Å; R19-V76 HydrophobicContact CB-CG2 4.11Å; I22-V76 HydrophobicContact CD1-CG1 4.26Å; I22-V76 HydrophobicContact CD1-CG2 4.24Å; F74-V76 HydrophobicContact CD2-CG2 4.08Å; F74-V76 HydrophobicContact CE2-CG2 3.74Å; V76-L107 HydrophobicContact CG1-CD2 3.81Å
77	H	86.4	Confident	89.2	Confident	62 Å²	62	45.6 Å²	45.6	29%	0.287	24%	0.24	S	C	.	.			trans	-104.8	156.4	-177.1	-58.5	114.5	0	0	0	111.9	P75 Q79 D80 R207	P75-H77 WeakPolarHBondContact CB-CE1 3.44Å; P75-H77 WeakPolarHBondContact CG-CE1 3.18Å; H77-Q79 PolarHBondContact O-N 3.01Å; H77-D80 PolarHBondContact N-OD2 3.39Å; H77-D80 IonicContact ND1-OD2 3.91Å; H77-D80 WeakPolarHBondContact O-CB 3.11Å; H77-D80 PolarHBondContact O-N 3.23Å; H77-R207 PolarHBondContact ND1-NH2 3.31Å
78	V	87.9	Confident	89.2	Confident	16 Å²	16	39.4 Å²	39.4	10%	0.097	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	139.3	168.9	-177.7	0	0	0	0	109.4	D80 E156 I233 V278	V78-D80 VanDerWaalsContact C-N 3.27Å; V78-E156 HydrophobicContact CB-CG 4.37Å; V78-E156 WeakPolarHBondContact CB-OE1 3.34Å; V78-E156 HydrophobicContact CG2-CG 3.65Å; V78-E156 VanDerWaalsContact CG2-OE1 3.29Å; V78-E156 WeakPolarHBondContact CG2-OE1 3.44Å; V78-E156 PolarHBondContact N-OE1 3.45Å; V78-I233 HydrophobicContact CB-CG2 4.41Å; V78-I233 HydrophobicContact CG1-CD1 4.45Å; V78-I233 HydrophobicContact CG1-CG2 4.18Å; V78-I233 HydrophobicContact CG2-CG2 4.04Å; V78-V278 HydrophobicContact CG1-CG1 4.27Å; V78-V278 HydrophobicContact CG1-CG2 4.1Å; V78-V278 HydrophobicContact CG2-CB 4.41Å; V78-V278 HydrophobicContact CG2-CG1 3.84Å; V78-V278 HydrophobicContact CG2-CG2 3.79Å
79	Q	87.8	Confident	89.2	Confident	126 Å²	126	33.8 Å²	33.8	59%	0.589	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.3	2	-169.5	-50.9	168.1	38.3	0	0	114.9	H77 L81 L107	H77-Q79 PolarHBondContact O-N 3.01Å; Q79-L81 PolarHBondContact O-N 3.42Å; Q79-L107 PolarHBondContact N-O 3.37Å
80	D	89.5	Confident	89.2	Confident	19 Å²	19	32.1 Å²	32.1	10%	0.102	17%	0.174	C	C	.	.			trans	-63.1	138.7	169	-84.3	-28	0	0	0	111.3	H77 V78 R106 L107 R207	H77-D80 PolarHBondContact N-OD2 3.39Å; H77-D80 IonicContact ND1-OD2 3.91Å; H77-D80 WeakPolarHBondContact O-CB 3.11Å; H77-D80 PolarHBondContact O-N 3.23Å; V78-D80 VanDerWaalsContact C-N 3.27Å; D80-R106 WeakPolarHBondContact O-CA 3.15Å; D80-L107 PolarHBondContact O-N 2.94Å; D80-L107 VanDerWaalsContact O-N 3.14Å; D80-R207 IonicContact OD1-CZ 2.68Å; D80-R207 IonicContact OD1-NE 2.99Å; D80-R207 PolarHBondContact OD1-NE 3.42Å; D80-R207 VanDerWaalsContact OD1-NE 3.09Å; D80-R207 IonicContact OD1-NH2 2.84Å; D80-R207 PolarHBondContact OD1-NH2 3.43Å; D80-R207 IonicContact OD2-CZ 3.18Å; D80-R207 IonicContact OD2-NE 2.73Å; D80-R207 IonicContact OD2-NH2 3.3Å; D80-R207 PolarHBondContact OD2-NH2 3.21Å
81	L	93.2	Very high	88.9	Confident	29 Å²	29	34.1 Å²	34.1	15%	0.152	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	118	171.4	175.3	59.1	0	0	0	107.5	Q79 Q104 F105 R106 G208 P209	Q79-L81 PolarHBondContact O-N 3.42Å; L81-Q104 HydrophobicContact CD1-CB 3.91Å; L81-Q104 HydrophobicContact CD1-CG 4.12Å; L81-F105 WeakPolarHBondContact CA-O 3.49Å; L81-R106 HydrophobicContact CD1-CB 4.1Å; L81-R106 HydrophobicContact CD1-CG 4.42Å; L81-G208 PolarHBondContact O-N 3.01Å; L81-P209 HydrophobicContact CD2-CB 3.93Å
82	L	94.9	Very high	88.9	Confident	6 Å²	6	36.3 Å²	36.3	3%	0.031	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	132.4	171.2	-61.6	174.2	0	0	0	108.4	I22 L70 F74 Q104 F105 R207	I22-L82 HydrophobicContact CD1-CD1 3.83Å; I22-L82 HydrophobicContact CG1-CD1 4.39Å; I22-L82 HydrophobicContact CG2-CD1 3.57Å; L70-L82 HydrophobicContact CD1-CD1 4.24Å; L70-L82 HydrophobicContact CD1-CD2 4.19Å; L70-L82 HydrophobicContact CD2-CD2 3.6Å; F74-L82 HydrophobicContact CE2-CD1 3.91Å; F74-L82 HydrophobicContact CZ-CD1 4.39Å; L82-Q104 WeakPolarHBondContact O-CA 3.32Å; L82-F105 HydrophobicContact CB-CB 4.34Å; L82-F105 HydrophobicContact CB-CD2 4.49Å; L82-F105 PolarHBondContact N-O 3.19Å; L82-F105 PolarHBondContact O-N 3.23Å; L82-R207 HydrophobicContact CD2-CB 4Å; L82-R207 HydrophobicContact CD2-CG 3.88Å
83	S	95.6	Very high	89.3	Confident	0 Å²	0	39 Å²	39	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	129.6	-176.6	-65	0	0	0	0	110.7	W103 R206 G208 S210	S83-W103 CarbonylContact C-O 3.5Å; S83-W103 VanDerWaalsContact CA-O 3.27Å; S83-W103 WeakPolarHBondContact CA-O 3.44Å; S83-R206 PolarHBondContact N-O 2.96Å; S83-R206 PolarHBondContact O-N 2.74Å; S83-R206 PolarHBondContact OG-NH1 3.3Å; S83-G208 WeakPolarHBondContact CB-O 3.4Å; S83-G208 PolarHBondContact OG-O 2.89Å; S83-S210 WeakPolarHBondContact CB-OG 3.24Å; S83-S210 PolarHBondContact OG-OG 2.92Å; S83-S210 VanDerWaalsContact OG-OG 3.07Å
84	L	97	Very high	88.9	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	113.5	173.9	171.2	70.7	0	0	0	108.2	I26 I29 V30 I86 W103 Y203 T204 L205	I26-L84 HydrophobicContact CG2-CD2 4.47Å; I29-L84 HydrophobicContact CB-CD2 3.9Å; I29-L84 HydrophobicContact CD1-CD2 4.11Å; I29-L84 HydrophobicContact CG2-CD2 3.65Å; V30-L84 HydrophobicContact CG2-CD1 4.04Å; V30-L84 HydrophobicContact CG2-CD2 3.94Å; L84-I86 HydrophobicContact CD2-CD1 4.49Å; L84-I86 HydrophobicContact CG-CD1 4.32Å; L84-W103 HydrophobicContact CB-CB 4.16Å; L84-W103 PolarHBondContact N-O 3.29Å; L84-W103 PolarHBondContact O-N 3.43Å; L84-Y203 HydrophobicContact CD1-CD2 3.7Å; L84-Y203 HydrophobicContact CD1-CG 4.26Å; L84-T204 CarbonylContact C-O 3.54Å; L84-T204 WeakPolarHBondContact CA-O 3.45Å; L84-L205 HydrophobicContact CB-CD1 4.36Å
85	E	95.9	Very high	88.6	Confident	6 Å²	6	46.4 Å²	46.4	3%	0.028	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	137.8	172.7	-54.1	-170.6	162.6	0	0	110.4	L87 E101 V102 Y203 T204 R206 R214	E85-L87 HydrophobicContact CB-CD1 3.9Å; E85-L87 HydrophobicContact CB-CG 4.41Å; E85-E101 CarbonylContact C-O 3.5Å; E85-E101 WeakPolarHBondContact CA-O 3.43Å; E85-V102 HydrophobicContact CG-CG2 4.24Å; E85-Y203 CarbonylContact O-C 3.51Å; E85-Y203 WeakPolarHBondContact O-CA 3.03Å; E85-Y203 WeakPolarHBondContact O-CB 3.39Å; E85-T204 WeakPolarHBondContact CB-OG1 3.41Å; E85-T204 PolarHBondContact N-O 2.78Å; E85-T204 PolarHBondContact O-N 2.87Å; E85-T204 PolarHBondContact OE2-OG1 2.95Å; E85-R206 IonicContact OE1-CZ 2.65Å; E85-R206 IonicContact OE1-NE 3.09Å; E85-R206 IonicContact OE1-NH2 2.97Å; E85-R206 PolarHBondContact OE1-NH2 3.45Å; E85-R214 IonicContact OE1-NH1 2.92Å; E85-R214 PolarHBondContact OE1-NH1 2.92Å; E85-R214 IonicContact OE2-CZ 3.91Å; E85-R214 IonicContact OE2-NH1 3.28Å; E85-R214 PolarHBondContact OE2-NH1 3.28Å; E85-R214 IonicContact OE2-NH2 2.65Å
86	I	96	Very high	88.5	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	126.2	166.9	-55.4	-54.9	0	0	0	107.8	I29 R33 L84 V100 E101 M201	I29-I86 HydrophobicContact CG2-CD1 4.18Å; I29-I86 HydrophobicContact CG2-CG1 4.42Å; R33-I86 HydrophobicContact CB-CG2 4.48Å; R33-I86 HydrophobicContact CG-CD1 4.14Å; R33-I86 HydrophobicContact CG-CG1 4.26Å; R33-I86 HydrophobicContact CG-CG2 3.86Å; L84-I86 HydrophobicContact CD2-CD1 4.49Å; L84-I86 HydrophobicContact CG-CD1 4.32Å; I86-V100 PolarHBondContact O-N 3.01Å; I86-E101 HydrophobicContact CB-CB 4.01Å; I86-E101 HydrophobicContact CB-CG 4.42Å; I86-E101 HydrophobicContact CG1-CB 4.17Å; I86-E101 PolarHBondContact N-O 3.28Å; I86-E101 PolarHBondContact O-N 2.78Å; I86-M201 HydrophobicContact CG2-CE 3.41Å; I86-M201 VanDerWaalsContact CG2-CE 3.41Å
87	L	93.5	Very high	88.4	Confident	7 Å²	7	48.8 Å²	48.8	4%	0.037	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	151.6	-175.8	-51.2	96.1	0	0	0	110.9	E85 L97 M98 V99 M201 C202 T204	E85-L87 HydrophobicContact CB-CD1 3.9Å; E85-L87 HydrophobicContact CB-CG 4.41Å; L87-L97 HydrophobicContact CD2-CB 4.48Å; L87-M98 CarbonylContact C-O 3.48Å; L87-M98 VanDerWaalsContact CA-O 3.25Å; L87-M98 WeakPolarHBondContact CA-O 3.09Å; L87-V99 HydrophobicContact CD2-CG2 4.06Å; L87-V99 HydrophobicContact CG-CG2 4.47Å; L87-M201 CarbonylContact O-C 3.59Å; L87-M201 WeakPolarHBondContact O-CA 3.32Å; L87-C202 PolarHBondContact N-O 2.93Å; L87-C202 PolarHBondContact O-N 3.43Å; L87-T204 HydrophobicContact CD1-CG2 3.92Å
88	A	91.4	Very high	88.5	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	129.5	161.4	0	0	0	0	0	108.7	W90 L97 M98 V100 L190 Y199 M201 L298	A88-W90 HydrophobicContact CB-CH2 4.11Å; A88-W90 HydrophobicContact CB-CZ3 3.89Å; A88-W90 WeakPolarHBondContact O-CZ3 3.25Å; A88-L97 WeakPolarHBondContact O-CA 3.4Å; A88-M98 HydrophobicContact CB-CB 4.46Å; A88-M98 HydrophobicContact CB-CE 4.17Å; A88-M98 PolarHBondContact N-O 3.02Å; A88-M98 PolarHBondContact O-N 3.06Å; A88-V100 HydrophobicContact CB-CG2 4.11Å; A88-L190 HydrophobicContact CB-CD2 4.28Å; A88-Y199 HydrophobicContact CB-CD2 4.16Å; A88-M201 HydrophobicContact CB-SD 4.45Å; A88-L298 HydrophobicContact CB-CD2 4.43Å
89	H	88.9	Confident	88.7	Confident	22 Å²	22	45.9 Å²	45.9	10%	0.102	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	136	-179.8	159.9	-106	0	0	0	110.4	P91 L97 Y199 Q200 M362	H89-P91 VanDerWaalsContact CE1-CA 3.41Å; H89-P91 WeakPolarHBondContact CE1-CA 3.36Å; H89-P91 WeakPolarHBondContact O-CD 3.43Å; H89-L97 HydrophobicContact CB-CD2 3.62Å; H89-Y199 CarbonylContact O-C 3.08Å; H89-Y199 WeakPolarHBondContact O-CA 3.39Å; H89-Y199 WeakPolarHBondContact O-CB 3.48Å; H89-Q200 PolarHBondContact N-O 2.9Å; H89-Q200 PolarHBondContact O-N 3.45Å; H89-M362 HydrophobicContact CB-CE 3.86Å; H89-M362 HydrophobicContact CB-SD 3.44Å; H89-M362 WeakPolarHBondContact CB-SD 3.47Å; H89-M362 VanDerWaalsContact CD2-CE 3.47Å; H89-M362 WeakPolarHBondContact CD2-CE 3.31Å; H89-M362 VanDerWaalsContact CD2-SD 3.52Å; H89-M362 WeakPolarHBondContact CE1-CE 3.38Å; H89-M362 WeakPolarHBondContact ND1-CE 3.3Å
90	W	88.4	Confident	89	Confident	22 Å²	22	39.9 Å²	39.9	8%	0.083	20%	0.2	C	C	.	.			trans	-102.5	108.7	175.3	-76.2	-106.3	0	0	0	110.3	A88 K92 E93 M96 M98 L298 P300	A88-W90 HydrophobicContact CB-CH2 4.11Å; A88-W90 HydrophobicContact CB-CZ3 3.89Å; A88-W90 WeakPolarHBondContact O-CZ3 3.25Å; W90-K92 PolarHBondContact O-N 3.13Å; W90-K92 VanDerWaalsContact O-N 3.09Å; W90-E93 HydrophobicContact CB-CB 4.44Å; W90-E93 CarbonylContact O-C 3.52Å; W90-E93 PolarHBondContact O-N 3.33Å; W90-E93 VanDerWaalsContact O-O 3.05Å; W90-M96 HydrophobicContact CB-CB 4.5Å; W90-M96 HydrophobicContact CB-CE 3.73Å; W90-M96 HydrophobicContact CD2-CE 3.26Å; W90-M96 HydrophobicContact CE3-CB 4.49Å; W90-M96 HydrophobicContact CE3-CE 3.77Å; W90-M96 HydrophobicContact CE3-CG 4.1Å; W90-M96 HydrophobicContact CG-CE 3.23Å; W90-M96 HydrophobicContact CZ2-CE 4.27Å; W90-M96 HydrophobicContact CZ3-CE 4.45Å; W90-M96 HydrophobicContact CZ3-CG 4.5Å; W90-M96 PolarHBondContact N-O 3.39Å; W90-M98 HydrophobicContact CH2-CB 4.07Å; W90-M98 HydrophobicContact CH2-CE 4.23Å; W90-M98 HydrophobicContact CH2-SD 4.43Å; W90-M98 HydrophobicContact CZ3-CB 3.8Å; W90-L298 HydrophobicContact CH2-CD2 3.45Å; W90-L298 VanDerWaalsContact CH2-CD2 3.45Å; W90-L298 HydrophobicContact CH2-CG 4.24Å; W90-L298 HydrophobicContact CZ2-CB 4.27Å; W90-L298 HydrophobicContact CZ2-CD2 3.3Å; W90-L298 HydrophobicContact CZ2-CG 3.76Å; W90-P300 HydrophobicContact CH2-CB 4.16Å; W90-P300 HydrophobicContact CZ2-CB 4.08Å
91	P	82.7	Confident	89.3	Confident	47 Å²	47	39 Å²	39	31%	0.305	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-26.7	-176.6	-24.8	34.4	0	0	0	114.7	H89 E93 Q200	H89-P91 VanDerWaalsContact CE1-CA 3.41Å; H89-P91 WeakPolarHBondContact CE1-CA 3.36Å; H89-P91 WeakPolarHBondContact O-CD 3.43Å; P91-E93 VanDerWaalsContact C-N 3.3Å; P91-Q200 HydrophobicContact CG-CG 4.42Å
92	K	84.2	Confident	89.5	Confident	158 Å²	158	37.6 Å²	37.6	69%	0.687	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-21.6	176.8	-70.6	174.4	176.8	152.8	0	112.8	W90 N197	W90-K92 PolarHBondContact O-N 3.13Å; W90-K92 VanDerWaalsContact O-N 3.09Å; K92-N197 WeakPolarHBondContact CE-O 2.97Å; K92-N197 PolarHBondContact NZ-O 3.31Å
93	E	83.3	Confident	89.6	Confident	112 Å²	112	37.3 Å²	37.3	52%	0.523	19%	0.186	S	C	.	.	S	Bend	trans	-134.7	77.3	-178.1	-66.9	178.9	-149.6	0	0	108.6	W90 P91 Q95 M96	W90-E93 HydrophobicContact CB-CB 4.44Å; W90-E93 CarbonylContact O-C 3.52Å; W90-E93 PolarHBondContact O-N 3.33Å; W90-E93 VanDerWaalsContact O-O 3.05Å; P91-E93 VanDerWaalsContact C-N 3.3Å; E93-Q95 PolarHBondContact O-N 3.4Å; E93-M96 HydrophobicContact CB-CB 3.98Å; E93-M96 WeakPolarHBondContact O-CA 3.49Å; E93-M96 VanDerWaalsContact O-CB 3.27Å; E93-M96 WeakPolarHBondContact O-CB 3.34Å; E93-M96 PolarHBondContact O-N 3.26Å
94	P	74.7	Confident	89.7	Confident	93 Å²	93	37.8 Å²	37.8	60%	0.604	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-20.7	-170	-26.4	34.4	0	0	0	115	M96	P94-M96 VanDerWaalsContact C-N 3.26Å
95	Q	77.1	Confident	89.6	Confident	197 Å²	197	38 Å²	38	92%	0.921	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-13.1	176.4	-62.6	179.6	16	0	0	112.6	E93 L97	E93-Q95 PolarHBondContact O-N 3.4Å; Q95-L97 PolarHBondContact O-N 2.88Å
96	M	82	Confident	89.6	Confident	30 Å²	30	39.6 Å²	39.6	15%	0.148	20%	0.195	C	C	.	.			trans	-92.2	98.9	-177.1	-161.8	162.5	80.4	0	0	110	W90 E93 P94 P300	W90-M96 HydrophobicContact CB-CB 4.5Å; W90-M96 HydrophobicContact CB-CE 3.73Å; W90-M96 HydrophobicContact CD2-CE 3.26Å; W90-M96 HydrophobicContact CE3-CB 4.49Å; W90-M96 HydrophobicContact CE3-CE 3.77Å; W90-M96 HydrophobicContact CE3-CG 4.1Å; W90-M96 HydrophobicContact CG-CE 3.23Å; W90-M96 HydrophobicContact CZ2-CE 4.27Å; W90-M96 HydrophobicContact CZ3-CE 4.45Å; W90-M96 HydrophobicContact CZ3-CG 4.5Å; W90-M96 PolarHBondContact N-O 3.39Å; E93-M96 HydrophobicContact CB-CB 3.98Å; E93-M96 WeakPolarHBondContact O-CA 3.49Å; E93-M96 VanDerWaalsContact O-CB 3.27Å; E93-M96 WeakPolarHBondContact O-CB 3.34Å; E93-M96 PolarHBondContact O-N 3.26Å; P94-M96 VanDerWaalsContact C-N 3.26Å; M96-P300 HydrophobicContact CE-CB 3.38Å; M96-P300 HydrophobicContact CE-CG 3.3Å; M96-P300 HydrophobicContact CG-CB 3.99Å; M96-P300 HydrophobicContact SD-CB 3.2Å; M96-P300 WeakPolarHBondContact SD-CB 3.13Å; M96-P300 HydrophobicContact SD-CG 3.33Å; M96-P300 WeakPolarHBondContact SD-CG 3.46Å
97	L	85.1	Confident	89.5	Confident	73 Å²	73	39.7 Å²	39.7	38%	0.382	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	130.7	174.3	-63.4	175.3	0	0	0	108.9	L87 A88 H89 Q95 M362	L87-L97 HydrophobicContact CD2-CB 4.48Å; A88-L97 WeakPolarHBondContact O-CA 3.4Å; H89-L97 HydrophobicContact CB-CD2 3.62Å; Q95-L97 PolarHBondContact O-N 2.88Å; L97-M362 HydrophobicContact CD2-SD 3.63Å
98	M	90.1	Very high	89.5	Confident	14 Å²	14	39.5 Å²	39.5	7%	0.069	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	119.6	174.6	-177.3	179.3	72.9	0	0	109.3	L87 A88 W90 V100 L190 L298	L87-M98 CarbonylContact C-O 3.48Å; L87-M98 VanDerWaalsContact CA-O 3.25Å; L87-M98 WeakPolarHBondContact CA-O 3.09Å; A88-M98 HydrophobicContact CB-CB 4.46Å; A88-M98 HydrophobicContact CB-CE 4.17Å; A88-M98 PolarHBondContact N-O 3.02Å; A88-M98 PolarHBondContact O-N 3.06Å; W90-M98 HydrophobicContact CH2-CB 4.07Å; W90-M98 HydrophobicContact CH2-CE 4.23Å; W90-M98 HydrophobicContact CH2-SD 4.43Å; W90-M98 HydrophobicContact CZ3-CB 3.8Å; M98-V100 HydrophobicContact CE-CG2 4.09Å; M98-V100 PolarHBondContact O-N 3.34Å; M98-L190 HydrophobicContact CE-CD2 4.28Å; M98-L298 HydrophobicContact CE-CD1 4.48Å; M98-L298 HydrophobicContact CE-CD2 3.77Å
99	V	92.2	Very high	89.5	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.012	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	123.8	170.7	-172.7	0	0	0	0	108.3	L87 V102 R214 L215 R287	L87-V99 HydrophobicContact CD2-CG2 4.06Å; L87-V99 HydrophobicContact CG-CG2 4.47Å; V99-V102 HydrophobicContact CG1-CG2 3.74Å; V99-R214 HydrophobicContact CB-CB 4.12Å; V99-R214 HydrophobicContact CG2-CB 3.68Å; V99-L215 HydrophobicContact CB-CD2 4.3Å; V99-L215 HydrophobicContact CG1-CD2 3.69Å; V99-L215 HydrophobicContact CG1-CG 4.29Å; V99-R287 PolarHBondContact O-NE 2.9Å
100	V	93.8	Very high	89.4	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	-44.6	-178.7	-170.7	0	0	0	0	109.9	I86 A88 M98 L190 M201 L215 Y286 R287 I290	I86-V100 PolarHBondContact O-N 3.01Å; A88-V100 HydrophobicContact CB-CG2 4.11Å; M98-V100 HydrophobicContact CE-CG2 4.09Å; M98-V100 PolarHBondContact O-N 3.34Å; V100-L190 HydrophobicContact CG1-CD2 4.2Å; V100-L190 HydrophobicContact CG2-CD2 3.89Å; V100-M201 HydrophobicContact CG2-CE 4.26Å; V100-L215 WeakPolarHBondContact O-CD2 3.38Å; V100-Y286 WeakPolarHBondContact O-CA 3.5Å; V100-R287 PolarHBondContact O-N 3.23Å; V100-I290 HydrophobicContact CG1-CD1 4.44Å
101	E	95.9	Very high	89.2	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	151.4	-177.2	-48.9	174.6	175.4	0	0	110.8	R33 E85 I86 W103 L185 G187 V284 H285	R33-E101 IonicContact CZ-OE1 2.72Å; R33-E101 VanDerWaalsContact CZ-OE1 3.3Å; R33-E101 IonicContact CZ-OE2 2.66Å; R33-E101 VanDerWaalsContact CZ-OE2 3.31Å; R33-E101 IonicContact NE-OE1 2.68Å; R33-E101 PolarHBondContact NE-OE1 2.93Å; R33-E101 IonicContact NE-OE2 3.96Å; R33-E101 PolarHBondContact NE-OE2 2.68Å; R33-E101 VanDerWaalsContact NE-OE2 3.14Å; R33-E101 IonicContact NH2-OE1 2.87Å; R33-E101 PolarHBondContact NH2-OE1 3.42Å; R33-E101 IonicContact NH2-OE2 2.84Å; R33-E101 PolarHBondContact NH2-OE2 2.84Å; E85-E101 CarbonylContact C-O 3.5Å; E85-E101 WeakPolarHBondContact CA-O 3.43Å; I86-E101 HydrophobicContact CB-CB 4.01Å; I86-E101 HydrophobicContact CB-CG 4.42Å; I86-E101 HydrophobicContact CG1-CB 4.17Å; I86-E101 PolarHBondContact N-O 3.28Å; I86-E101 PolarHBondContact O-N 2.78Å; E101-W103 PolarHBondContact OE2-NE1 3.35Å; E101-L185 WeakPolarHBondContact OE1-CB 3.43Å; E101-G187 VanDerWaalsContact OE1-CA 3.29Å; E101-G187 WeakPolarHBondContact OE1-CA 3.4Å; E101-V284 HydrophobicContact CB-CG2 4.39Å; E101-H285 CarbonylContact C-O 3.49Å; E101-H285 VanDerWaalsContact CA-O 3.29Å; E101-H285 WeakPolarHBondContact CA-O 3.36Å
102	V	96.5	Very high	89.3	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	110.1	170.2	179.8	0	0	0	0	108.1	E85 V99 Q104 S210 L212 L215 V284 H285	E85-V102 HydrophobicContact CG-CG2 4.24Å; V99-V102 HydrophobicContact CG1-CG2 3.74Å; V102-Q104 HydrophobicContact CG1-CG 4.21Å; V102-S210 VanDerWaalsContact CG1-CB 3.47Å; V102-S210 WeakPolarHBondContact CG1-OG 3.3Å; V102-L212 HydrophobicContact CB-CD2 3.7Å; V102-L212 HydrophobicContact CG1-CD2 3.72Å; V102-L212 HydrophobicContact CG2-CD2 3.89Å; V102-L215 HydrophobicContact CB-CD1 4.47Å; V102-L215 HydrophobicContact CG2-CD1 4.12Å; V102-L215 HydrophobicContact CG2-CD2 4.25Å; V102-L215 HydrophobicContact CG2-CG 4.27Å; V102-V284 WeakPolarHBondContact O-CA 3.36Å; V102-H285 HydrophobicContact CB-CB 4.41Å; V102-H285 PolarHBondContact N-O 2.77Å; V102-H285 PolarHBondContact O-N 3.44Å
103	W	97.9	Very high	89.4	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	135.2	174.2	-68.9	81.2	0	0	0	109.7	I29 S83 L84 E101 I178 V181 T182 L185 V224 T282 V284	I29-W103 HydrophobicContact CD1-CB 4.19Å; I29-W103 HydrophobicContact CD1-CD2 3.54Å; I29-W103 HydrophobicContact CD1-CE3 3.51Å; I29-W103 HydrophobicContact CD1-CG 3.85Å; I29-W103 HydrophobicContact CD1-CZ3 4.06Å; I29-W103 HydrophobicContact CG1-CD2 4.06Å; I29-W103 HydrophobicContact CG1-CE3 4.15Å; I29-W103 HydrophobicContact CG1-CH2 4.41Å; I29-W103 HydrophobicContact CG1-CZ2 4.32Å; I29-W103 HydrophobicContact CG1-CZ3 4.31Å; I29-W103 HydrophobicContact CG2-CD2 4.2Å; I29-W103 HydrophobicContact CG2-CG 4.15Å; I29-W103 HydrophobicContact CG2-CZ2 4.45Å; S83-W103 CarbonylContact C-O 3.5Å; S83-W103 VanDerWaalsContact CA-O 3.27Å; S83-W103 WeakPolarHBondContact CA-O 3.44Å; L84-W103 HydrophobicContact CB-CB 4.16Å; L84-W103 PolarHBondContact N-O 3.29Å; L84-W103 PolarHBondContact O-N 3.43Å; E101-W103 PolarHBondContact OE2-NE1 3.35Å; W103-I178 HydrophobicContact CH2-CG2 4.4Å; W103-I178 HydrophobicContact CZ3-CG2 4.12Å; W103-V181 HydrophobicContact CH2-CB 4.33Å; W103-V181 HydrophobicContact CH2-CG1 3.83Å; W103-T182 HydrophobicContact CH2-CG2 3.55Å; W103-T182 HydrophobicContact CZ2-CG2 3.43Å; W103-T182 VanDerWaalsContact CZ2-CG2 3.43Å; W103-L185 HydrophobicContact CH2-CD1 4.19Å; W103-L185 HydrophobicContact CZ2-CD1 3.46Å; W103-L185 VanDerWaalsContact CZ2-CD1 3.46Å; W103-V224 HydrophobicContact CH2-CG2 4.46Å; W103-V224 HydrophobicContact CZ3-CG2 3.87Å; W103-T282 HydrophobicContact CE3-CG2 4.46Å; W103-V284 HydrophobicContact CD2-CB 3.82Å; W103-V284 HydrophobicContact CD2-CG2 3.73Å; W103-V284 VanDerWaalsContact CE2-CG2 3.48Å; W103-V284 HydrophobicContact CE3-CB 3.86Å; W103-V284 HydrophobicContact CE3-CG2 4.29Å; W103-V284 HydrophobicContact CG-CB 4.42Å; W103-V284 HydrophobicContact CG-CG2 4.07Å; W103-V284 HydrophobicContact CH2-CB 4.18Å; W103-V284 HydrophobicContact CH2-CG1 4.32Å; W103-V284 HydrophobicContact CH2-CG2 4.41Å; W103-V284 HydrophobicContact CZ2-CB 4.13Å; W103-V284 HydrophobicContact CZ2-CG1 4.49Å; W103-V284 HydrophobicContact CZ2-CG2 3.86Å; W103-V284 HydrophobicContact CZ3-CB 4.06Å; W103-V284 HydrophobicContact CZ3-CG1 4.45Å
104	Q	96.1	Very high	89.1	Confident	10 Å²	10	35.7 Å²	35.7	5%	0.047	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	125.4	-178.9	-69	-174.1	-10.7	0	0	110.3	L81 L82 V102 T282 T283 H285	L81-Q104 HydrophobicContact CD1-CB 3.91Å; L81-Q104 HydrophobicContact CD1-CG 4.12Å; L82-Q104 WeakPolarHBondContact O-CA 3.32Å; V102-Q104 HydrophobicContact CG1-CG 4.21Å; Q104-T282 WeakPolarHBondContact O-CA 3.26Å; Q104-T283 PolarHBondContact N-O 3.05Å; Q104-T283 PolarHBondContact O-N 2.76Å; Q104-H285 PolarHBondContact OE1-NE2 2.86Å
105	F	96.4	Very high	88.6	Confident	5 Å²	5	35.1 Å²	35.1	2%	0.022	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	121.1	168.7	-54.2	-85.5	0	0	0	107.9	F21 I22 S25 I26 I29 L81 L82 I178 T282	F21-F105 HydrophobicContact CE1-CD1 4.19Å; F21-F105 HydrophobicContact CE1-CE1 4.25Å; I22-F105 HydrophobicContact CG1-CB 4.44Å; S25-F105 VanDerWaalsContact CB-CE1 3.49Å; S25-F105 VanDerWaalsContact CB-CZ 3.44Å; I26-F105 HydrophobicContact CG1-CE2 4.42Å; I29-F105 HydrophobicContact CD1-CE2 4.32Å; I29-F105 HydrophobicContact CD1-CZ 3.72Å; L81-F105 WeakPolarHBondContact CA-O 3.49Å; L82-F105 HydrophobicContact CB-CB 4.34Å; L82-F105 HydrophobicContact CB-CD2 4.49Å; L82-F105 PolarHBondContact N-O 3.19Å; L82-F105 PolarHBondContact O-N 3.23Å; F105-I178 HydrophobicContact CE1-CD1 4.14Å; F105-T282 HydrophobicContact CD1-CG2 3.95Å; F105-T282 HydrophobicContact CE1-CG2 3.7Å
106	R	94.8	Very high	87.5	Confident	38 Å²	38	27.4 Å²	27.4	14%	0.143	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	128.9	-174.6	-171.3	171.6	169.9	-159.9	-3.8	111.1	D80 L81 D108 R112 L113 T116 L280 G281	D80-R106 WeakPolarHBondContact O-CA 3.15Å; L81-R106 HydrophobicContact CD1-CB 4.1Å; L81-R106 HydrophobicContact CD1-CG 4.42Å; R106-D108 HydrophobicContact CG-CB 4.18Å; R106-D108 IonicContact CZ-OD2 3.92Å; R106-D108 IonicContact NE-OD2 3.9Å; R106-D108 PolarHBondContact NE-OD2 3.11Å; R106-D108 IonicContact NH2-OD2 3.74Å; R106-D108 PolarHBondContact NH2-OD2 3.47Å; R106-R112 PolarHBondContact NH1-O 3.37Å; R106-R112 PolarHBondContact NH2-O 2.92Å; R106-L113 HydrophobicContact CB-CD2 3.86Å; R106-L113 HydrophobicContact CG-CD2 3.67Å; R106-T116 PolarHBondContact NH1-OG1 3.2Å; R106-L280 CarbonylContact O-C 3.54Å; R106-L280 WeakPolarHBondContact O-CA 3.4Å; R106-G281 PolarHBondContact N-O 2.94Å; R106-G281 PolarHBondContact O-N 3.27Å
107	L	94.4	Very high	86.1	Confident	2 Å²	2	27.7 Å²	27.7	1%	0.01	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	103.2	176.8	-175.2	66.5	0	0	0	109.1	L18 V76 Q79 D80 L231 V278 Y279 L280	L18-L107 HydrophobicContact CD1-CD1 4.04Å; L18-L107 HydrophobicContact CD1-CD2 3.94Å; V76-L107 HydrophobicContact CG1-CD2 3.81Å; Q79-L107 PolarHBondContact N-O 3.37Å; D80-L107 PolarHBondContact O-N 2.94Å; D80-L107 VanDerWaalsContact O-N 3.14Å; L107-L231 HydrophobicContact CD2-CD1 4.18Å; L107-V278 HydrophobicContact CD1-CG1 3.56Å; L107-V278 HydrophobicContact CD2-CG1 4.49Å; L107-V278 HydrophobicContact CG-CG1 3.63Å; L107-Y279 CarbonylContact C-O 3.51Å; L107-Y279 WeakPolarHBondContact CA-O 3.3Å; L107-L280 HydrophobicContact CD1-CB 4.25Å
108	D	92.6	Very high	84.1	Confident	3 Å²	3	28.7 Å²	28.7	2%	0.016	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	167.6	-172	-146.8	-19.9	0	0	0	114	R106 R112 L113 Y279	R106-D108 HydrophobicContact CG-CB 4.18Å; R106-D108 IonicContact CZ-OD2 3.92Å; R106-D108 IonicContact NE-OD2 3.9Å; R106-D108 PolarHBondContact NE-OD2 3.11Å; R106-D108 IonicContact NH2-OD2 3.74Å; R106-D108 PolarHBondContact NH2-OD2 3.47Å; D108-R112 VanDerWaalsContact CG-NE 3.31Å; D108-R112 IonicContact OD1-CZ 2.62Å; D108-R112 IonicContact OD1-NE 3.54Å; D108-R112 PolarHBondContact OD1-NE 3Å; D108-R112 IonicContact OD1-NH2 3.56Å; D108-R112 PolarHBondContact OD1-NH2 2.89Å; D108-R112 VanDerWaalsContact OD2-CB 3.31Å; D108-R112 WeakPolarHBondContact OD2-CB 3.3Å; D108-R112 IonicContact OD2-CZ 2.73Å; D108-R112 IonicContact OD2-NE 3.36Å; D108-R112 PolarHBondContact OD2-NE 3.11Å; D108-L113 HydrophobicContact CB-CD2 3.74Å; D108-L113 HydrophobicContact CB-CG 3.99Å; D108-Y279 PolarHBondContact N-O 2.91Å; D108-Y279 PolarHBondContact O-N 3.44Å; D108-Y279 VanDerWaalsContact O-O 3.1Å
109	I	91.4	Very high	81.9	Confident	4 Å²	4	35.2 Å²	35.2	2%	0.021	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	152.6	170.7	63.4	169.9	0	0	0	110.8	E111 R112 L113 I233 E239 L276 V278	I109-E111 VanDerWaalsContact C-N 3.31Å; I109-E111 PolarHBondContact O-N 3.36Å; I109-R112 HydrophobicContact CD1-CG 4Å; I109-R112 HydrophobicContact CG1-CB 3.97Å; I109-R112 HydrophobicContact CG1-CG 3.75Å; I109-R112 PolarHBondContact O-N 3.09Å; I109-R112 VanDerWaalsContact O-N 3.12Å; I109-L113 PolarHBondContact O-N 3.05Å; I109-I233 HydrophobicContact CG2-CD1 3.57Å; I109-I233 HydrophobicContact CG2-CG1 3.88Å; I109-E239 HydrophobicContact CD1-CG 4.39Å; I109-E239 WeakPolarHBondContact CD1-OE1 3.4Å; I109-L276 HydrophobicContact CD1-CD1 3.94Å; I109-L276 HydrophobicContact CG2-CB 3.87Å; I109-L276 HydrophobicContact CG2-CD1 4.45Å; I109-V278 HydrophobicContact CG2-CG2 4.38Å
110	M	87.4	Confident	79.6	Confident	65 Å²	65	38.1 Å²	38.1	32%	0.32	19%	0.19	S	C	.	.	H	α-helix	trans	-54.1	-43.9	-171.9	-172.7	63.7	71.3	0	0	113.7	R112 L113 N114 R226 Y279	M110-R112 VanDerWaalsContact C-N 3.34Å; M110-R112 PolarHBondContact O-N 3.08Å; M110-L113 PolarHBondContact O-N 3.16Å; M110-N114 PolarHBondContact O-N 3.07Å; M110-N114 VanDerWaalsContact O-N 3.15Å; M110-N114 PolarHBondContact O-ND2 2.77Å; M110-R226 PolarHBondContact SD-NH1 2.82Å; M110-R226 VanDerWaalsContact SD-NH1 3.35Å; M110-Y279 HydrophobicContact CB-CD2 4.24Å; M110-Y279 HydrophobicContact CB-CE2 4.11Å; M110-Y279 HydrophobicContact CE-CD1 3.88Å; M110-Y279 HydrophobicContact CE-CD2 3.96Å; M110-Y279 HydrophobicContact CE-CE1 3.73Å; M110-Y279 HydrophobicContact CE-CE2 3.8Å; M110-Y279 HydrophobicContact CE-CG 4Å
111	E	84.4	Confident	77	Confident	77 Å²	77	41.1 Å²	41.1	36%	0.36	21%	0.208	S	C	.	.	H	α-helix	trans	-59.9	-44.9	-179	-65.4	165.5	179.6	0	0	111.5	I109 N114	I109-E111 VanDerWaalsContact C-N 3.31Å; I109-E111 PolarHBondContact O-N 3.36Å; E111-N114 PolarHBondContact O-N 2.67Å
112	R	85.7	Confident	73.9	Confident	59 Å²	59	47.7 Å²	47.7	22%	0.223	24%	0.243	C	C	.	.	H	α-helix	trans	-72.1	-30.3	179.7	-67.2	-164	-62.6	-158.9	-6.5	112	R106 D108 I109 M110 N114 T115	R106-R112 PolarHBondContact NH1-O 3.37Å; R106-R112 PolarHBondContact NH2-O 2.92Å; D108-R112 VanDerWaalsContact CG-NE 3.31Å; D108-R112 IonicContact OD1-CZ 2.62Å; D108-R112 IonicContact OD1-NE 3.54Å; D108-R112 PolarHBondContact OD1-NE 3Å; D108-R112 IonicContact OD1-NH2 3.56Å; D108-R112 PolarHBondContact OD1-NH2 2.89Å; D108-R112 VanDerWaalsContact OD2-CB 3.31Å; D108-R112 WeakPolarHBondContact OD2-CB 3.3Å; D108-R112 IonicContact OD2-CZ 2.73Å; D108-R112 IonicContact OD2-NE 3.36Å; D108-R112 PolarHBondContact OD2-NE 3.11Å; I109-R112 HydrophobicContact CD1-CG 4Å; I109-R112 HydrophobicContact CG1-CB 3.97Å; I109-R112 HydrophobicContact CG1-CG 3.75Å; I109-R112 PolarHBondContact O-N 3.09Å; I109-R112 VanDerWaalsContact O-N 3.12Å; M110-R112 VanDerWaalsContact C-N 3.34Å; M110-R112 PolarHBondContact O-N 3.08Å; R112-N114 VanDerWaalsContact C-N 3.34Å; R112-T115 PolarHBondContact O-OG1 2.76Å
113	L	85.8	Confident	70.7	Confident	9 Å²	9	52.8 Å²	52.8	5%	0.047	28%	0.279	C	S	.	.	H	α-helix	trans	-66.9	-33.3	172.8	-68.6	178.7	0	0	0	112.8	R106 D108 I109 M110	R106-L113 HydrophobicContact CB-CD2 3.86Å; R106-L113 HydrophobicContact CG-CD2 3.67Å; D108-L113 HydrophobicContact CB-CD2 3.74Å; D108-L113 HydrophobicContact CB-CG 3.99Å; I109-L113 PolarHBondContact O-N 3.05Å; M110-L113 PolarHBondContact O-N 3.16Å
114	N	76.3	Confident	67.3	Low	67 Å²	67	58.5 Å²	58.5	36%	0.358	32%	0.316	S	S	.	.	H	α-helix	trans	-71.7	-34.4	-178.5	-74.2	-28.4	0	0	0	113.7	M110 E111 R112 T116 T117 R226	M110-N114 PolarHBondContact O-N 3.07Å; M110-N114 VanDerWaalsContact O-N 3.15Å; M110-N114 PolarHBondContact O-ND2 2.77Å; E111-N114 PolarHBondContact O-N 2.67Å; R112-N114 VanDerWaalsContact C-N 3.34Å; N114-T116 VanDerWaalsContact C-N 3.26Å; N114-T116 PolarHBondContact O-N 3.25Å; N114-T117 PolarHBondContact O-N 3.06Å; N114-R226 PolarHBondContact OD1-NH1 3.21Å; N114-R226 PolarHBondContact OD1-NH2 3.14Å; N114-R226 VanDerWaalsContact OD1-NH2 3.11Å
115	T	63.8	Low	64.1	Low	82 Å²	82	64.6 Å²	64.6	50%	0.503	35%	0.349	S	S	.	.	H	α-helix	trans	-65.1	-27.3	-174.4	50.3	0	0	0	0	113.6	R112	R112-T115 PolarHBondContact O-OG1 2.76Å
116	T	54.4	Low	60.8	Low	35 Å²	35	70.2 Å²	70.2	22%	0.215	39%	0.386	C	S	.	.	H	α-helix	trans	-78.3	-31	-179.7	-57.3	0	0	0	0	113	R106 N114 L118	R106-T116 PolarHBondContact NH1-OG1 3.2Å; N114-T116 VanDerWaalsContact C-N 3.26Å; N114-T116 PolarHBondContact O-N 3.25Å; T116-L118 VanDerWaalsContact C-N 3.34Å; T116-L118 PolarHBondContact O-N 2.84Å
117	T	52.5	Low	57.7	Low	35 Å²	35	73.8 Å²	73.8	22%	0.215	41%	0.412	C	S	.	.	H	α-helix	trans	-70.2	-32.8	178.9	-52.1	0	0	0	0	111.8	N114 Q119	N114-T117 PolarHBondContact O-N 3.06Å; T117-Q119 PolarHBondContact O-N 3.01Å
118	L	43.6	Very low	54.6	Low	95 Å²	95	81.2 Å²	81.2	50%	0.497	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-77.8	-14.9	-173.8	-68.7	171.7	0	0	0	114.7	T116 F120 T121	T116-L118 VanDerWaalsContact C-N 3.34Å; T116-L118 PolarHBondContact O-N 2.84Å; L118-F120 PolarHBondContact O-N 3.15Å; L118-T121 PolarHBondContact O-N 2.73Å; L118-T121 PolarHBondContact O-OG1 2.8Å
119	Q	43.9	Very low	51.6	Low	150 Å²	150	84.6 Å²	84.6	70%	0.701	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-70.6	-15	-177.9	-71.5	-174.7	-13.2	0	0	113.7	T117	T117-Q119 PolarHBondContact O-N 3.01Å
120	F	43.6	Very low	48.6	Very low	64 Å²	64	91.3 Å²	91.3	28%	0.281	52%	0.521	S	S	.	.	G	3₁₀ helix	trans	-104.2	-7	179.1	-65.6	-79.9	0	0	0	114.3	L118 L212 P219	L118-F120 PolarHBondContact O-N 3.15Å; F120-L212 HydrophobicContact CD2-CD1 4.08Å; F120-L212 HydrophobicContact CE1-CB 3.55Å; F120-L212 HydrophobicContact CE1-CD1 4.2Å; F120-L212 HydrophobicContact CE1-CG 4.5Å; F120-L212 HydrophobicContact CE2-CB 4.09Å; F120-L212 HydrophobicContact CE2-CD1 3.1Å; F120-L212 HydrophobicContact CE2-CG 4.18Å; F120-L212 HydrophobicContact CZ-CB 3.24Å; F120-L212 HydrophobicContact CZ-CD1 3.2Å; F120-L212 HydrophobicContact CZ-CG 3.79Å; F120-P219 HydrophobicContact CD1-CG 3.88Å; F120-P219 HydrophobicContact CE1-CG 4.5Å
121	T	39.8	Very low	46	Very low	63 Å²	63	94.5 Å²	94.5	39%	0.387	55%	0.545	S	S	.	.	S	Bend	trans	-94.2	-1.6	-176.4	55.5	0	0	0	0	113.8	L118	L118-T121 PolarHBondContact O-N 2.73Å; L118-T121 PolarHBondContact O-OG1 2.8Å
122	N	30.5	Very low	43.3	Very low	138 Å²	138	95.8 Å²	95.8	74%	0.738	56%	0.558	S	S	*	*	S	Bend	trans	-100.7	110	176.2	-69.6	-16.9	0	0	0	110.4
123	S	28.6	Very low	40.8	Very low	108 Å²	108	99.9 Å²	99.9	76%	0.755	59%	0.59	S	S	*	*			trans	-42.4	154	179.2	-60.3	0	0	0	0	116	N125	S123-N125 PolarHBondContact O-N 3.33Å
124	P	27.8	Very low	38.1	Very low	119 Å²	119	104.2 Å²	104.2	77%	0.773	62%	0.617	S	S	*	*			trans	-76.5	115.5	179.4	32.3	-31	0	0	0	109.6
125	N	29	Very low	36	Very low	139 Å²	139	108 Å²	108	74%	0.743	64%	0.642	S	S	*	*			trans	-150.4	109.1	154.3	-113.9	-11.9	0	0	0	109.4	S123 T127	S123-N125 PolarHBondContact O-N 3.33Å; N125-T127 PolarHBondContact O-N 3.02Å
126	P	27.1	Very low	34.4	Very low	123 Å²	123	109.8 Å²	109.8	80%	0.799	65%	0.649	S	S	*	*			trans	-83.5	75.3	171.8	35	-29	0	0	0	107.8
127	T	29.9	Very low	33.4	Very low	113 Å²	113	115.9 Å²	115.9	69%	0.693	68%	0.68	S	S	*	*			trans	-104.7	96.5	172.5	-53.3	0	0	0	0	109.8	N125 G129	N125-T127 PolarHBondContact O-N 3.02Å; T127-G129 PolarHBondContact O-N 2.59Å
128	I	29	Very low	32.4	Very low	158 Å²	158	120.6 Å²	120.6	81%	0.81	70%	0.704	S	S	*	*			trans	-14.2	118.3	151.5	-61.5	162.3	0	0	0	112.6
129	G	28.9	Very low	31.8	Very low	73 Å²	73	123.2 Å²	123.2	75%	0.753	72%	0.718	S	S	*	*			trans	-164.6	75.6	177	0	0	0	0	0	111.4	T127	T127-G129 PolarHBondContact O-N 2.59Å
130	N	28.1	Very low	31.1	Very low	145 Å²	145	120.7 Å²	120.7	78%	0.775	72%	0.717	S	S	*	*			trans	-58.7	132.1	171.2	-62.8	-28.9	0	0	0	110.5
131	T	33.2	Very low	30.4	Very low	132 Å²	132	124.8 Å²	124.8	81%	0.81	74%	0.742	S	S	*	*			trans	-156.7	93.7	133.1	-55.4	0	0	0	0	110.1
132	T	28	Very low	29.8	Very low	104 Å²	104	130.1 Å²	130.1	64%	0.638	77%	0.767	S	S	*	*			trans	6.6	118.3	139	-30.3	0	0	0	0	118.2	T134	T132-T134 HydrophobicContact CG2-CG2 4.23Å
133	T	33.8	Very low	29.8	Very low	145 Å²	145	128.9 Å²	128.9	89%	0.89	77%	0.767	S	S	*	*				-138.8	98	129.1	-11.8	0	0	0	0	109
134	T	28.1	Very low	29.6	Very low	101 Å²	101	126.7 Å²	126.7	62%	0.62	76%	0.762	S	S	*	*			trans	-55.2	128.8	171.2	25.4	0	0	0	0	112.5	T132	T132-T134 HydrophobicContact CG2-CG2 4.23Å
135	T	32.9	Very low	29.6	Very low	146 Å²	146	125.3 Å²	125.3	90%	0.896	76%	0.76	S	S	*	*			trans	-143.1	110.9	131.7	-34	0	0	0	0	109.2
136	N	29.5	Very low	29.5	Very low	119 Å²	119	122 Å²	122	64%	0.636	76%	0.759	S	S	*	*			trans	-59.8	138.7	176	-69.6	-33.1	0	0	0	111.1
137	N	34	Very low	29.4	Very low	163 Å²	163	123 Å²	123	87%	0.872	76%	0.757	S	S	*	*				-156.4	117.2	122.6	-100.6	-16.6	0	0	0	111.7
138	N	30.4	Very low	29.5	Very low	134 Å²	134	126.5 Å²	126.5	72%	0.717	76%	0.759	S	S	*	*			trans	-66.7	128.5	171.8	-60.2	-39.7	0	0	0	110
139	N	32.1	Very low	29.4	Very low	150 Å²	150	124.6 Å²	124.6	80%	0.802	76%	0.755	S	S	*	*				170.5	127	121	-94.1	-17.1	0	0	0	112
140	S	28.8	Very low	29.4	Very low	97 Å²	97	129.4 Å²	129.4	68%	0.678	76%	0.764	S	S	*	*			trans	64	129.2	142.5	63.8	0	0	0	0	120.1
141	N	29	Very low	29.3	Very low	151 Å²	151	125.9 Å²	125.9	81%	0.807	76%	0.762	S	S	*	*			trans	86.4	91.6	154.5	-56.1	-16.4	0	0	0	116.8	P143	N141-P143 WeakPolarHBondContact O-CD 3.16Å
142	L	26.8	Very low	29.4	Very low	174 Å²	174	124.9 Å²	124.9	91%	0.911	76%	0.76	S	S	*	*			trans	-81.3	109.9	149.1	-150	83.2	0	0	0	107.2
143	P	30.9	Very low	30.1	Very low	112 Å²	112	128.5 Å²	128.5	73%	0.727	77%	0.77	S	S	*	*			trans	-86.5	113.6	160.5	31.9	-23.2	0	0	0	106	N141	N141-P143 WeakPolarHBondContact O-CD 3.16Å
144	G	25.1	Very low	31	Very low	63 Å²	63	123.8 Å²	123.8	65%	0.649	74%	0.743	S	S	*	*			cis	64.9	85.6	43.3	0	0	0	0	0	108.1
145	A	26.6	Very low	32.9	Very low	90 Å²	90	123 Å²	123	74%	0.744	74%	0.738	S	S	*	*	S	Bend	trans	47.4	84.9	171.1	0	0	0	0	0	114.4	N147	A145-N147 PolarHBondContact O-N 3.49Å
146	G	27.4	Very low	35.1	Very low	69 Å²	69	116.9 Å²	116.9	71%	0.711	70%	0.699	S	S	*	*			trans	-64.3	102.7	170.2	0	0	0	0	0	110.2	Y148	G146-Y148 PolarHBondContact O-N 2.99Å
147	N	24.5	Very low	37.5	Very low	143 Å²	143	115.2 Å²	115.2	77%	0.765	69%	0.685	S	S	*	*			trans	-47.3	122.3	160.1	-90	-13	0	0	0	108.6	A145 T149	A145-N147 PolarHBondContact O-N 3.49Å; N147-T149 HydrophobicContact CB-CG2 4.41Å; N147-T149 PolarHBondContact O-N 3.44Å
148	Y	31.7	Very low	39.6	Very low	188 Å²	188	107.6 Å²	107.6	74%	0.737	64%	0.644	S	S	*	*			trans	-64.4	89	160.5	-69.2	-84.4	0	0	0	107.4	G146 D150	G146-Y148 PolarHBondContact O-N 2.99Å; Y148-D150 PolarHBondContact O-N 3.03Å
149	T	28.1	Very low	41.7	Very low	118 Å²	118	102.2 Å²	102.2	72%	0.724	62%	0.616	S	S	*	*			trans	-76	103.3	165.6	50.4	0	0	0	0	107.6	N147 G151	N147-T149 HydrophobicContact CB-CG2 4.41Å; N147-T149 PolarHBondContact O-N 3.44Å; T149-G151 PolarHBondContact O-N 2.97Å
150	D	27.6	Very low	43.5	Very low	173 Å²	173	97.4 Å²	97.4	93%	0.925	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-34.5	122.2	155.7	-166.8	12.1	0	0	0	111.1	Y148	Y148-D150 PolarHBondContact O-N 3.03Å
151	G	27.5	Very low	45.1	Very low	72 Å²	72	94 Å²	94	74%	0.742	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	131.2	-1.5	164.3	0	0	0	0	0	120.7	T149 Q153	T149-G151 PolarHBondContact O-N 2.97Å; G151-Q153 PolarHBondContact O-N 3.35Å
152	S	34.6	Very low	47	Very low	111 Å²	111	87.2 Å²	87.2	78%	0.776	53%	0.528	S	S	*	.			trans	-89.8	104.6	168.2	-175	0	0	0	0	109.3	S154	S152-S154 PolarHBondContact O-N 3.5Å
153	Q	41.9	Very low	48.8	Very low	179 Å²	179	85 Å²	85	84%	0.836	51%	0.507	S	S	*	.			trans	-48.6	106.2	172.1	-70.5	-178.7	6.3	0	0	109.3	G151 T155	G151-Q153 PolarHBondContact O-N 3.35Å; Q153-T155 PolarHBondContact O-N 2.88Å
154	S	53.3	Low	50.4	Low	47 Å²	47	86.4 Å²	86.4	33%	0.329	50%	0.504	S	S	.	.			trans	-60.5	110.3	173.1	0	0	0	0	0	106.9	S152 E156	S152-S154 PolarHBondContact O-N 3.5Å; S154-E156 WeakPolarHBondContact CB-OE1 3.13Å; S154-E156 PolarHBondContact O-N 3.08Å
155	T	68.8	Low	52.5	Low	83 Å²	83	83.8 Å²	83.8	51%	0.509	48%	0.475	S	S	.	.			trans	-73.8	58.1	-177.4	47.6	0	0	0	0	110.6	Q153 Y157 P234	Q153-T155 PolarHBondContact O-N 2.88Å; T155-Y157 WeakPolarHBondContact O-CE2 3.31Å; T155-P234 WeakPolarHBondContact O-CD 3.32Å
156	E	78.8	Confident	55.2	Low	18 Å²	18	87.1 Å²	87.1	8%	0.084	47%	0.468	C	S	.	.			trans	-103.7	132.9	-179.9	-58.7	160.2	176.8	0	0	107.9	K11 V78 S154 A232 I233	K11-E156 WeakPolarHBondContact CE-OE2 3.13Å; K11-E156 IonicContact NZ-OE2 2.78Å; K11-E156 PolarHBondContact NZ-OE2 3.44Å; V78-E156 HydrophobicContact CB-CG 4.37Å; V78-E156 WeakPolarHBondContact CB-OE1 3.34Å; V78-E156 HydrophobicContact CG2-CG 3.65Å; V78-E156 VanDerWaalsContact CG2-OE1 3.29Å; V78-E156 WeakPolarHBondContact CG2-OE1 3.44Å; V78-E156 PolarHBondContact N-OE1 3.45Å; S154-E156 WeakPolarHBondContact CB-OE1 3.13Å; S154-E156 PolarHBondContact O-N 3.08Å; E156-A232 WeakPolarHBondContact CA-O 3.2Å; E156-I233 HydrophobicContact CG-CG2 4.11Å
157	Y	79.4	Confident	57.9	Low	85 Å²	85	83.9 Å²	83.9	33%	0.333	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	131.4	-177.8	-57.6	-88.1	0	0	0	109.3	T155 V159 L231 A232 P234 L275	T155-Y157 WeakPolarHBondContact O-CE2 3.31Å; Y157-V159 PolarHBondContact O-N 3.33Å; Y157-L231 CarbonylContact O-C 3.56Å; Y157-L231 WeakPolarHBondContact O-CA 2.83Å; Y157-A232 PolarHBondContact N-O 3.41Å; Y157-A232 PolarHBondContact O-N 3.41Å; Y157-P234 HydrophobicContact CD2-CG 4.45Å; Y157-P234 HydrophobicContact CE2-CG 3.67Å; Y157-L275 HydrophobicContact CD2-CD2 4.1Å; Y157-L275 HydrophobicContact CE2-CD2 4.49Å
158	A	79.3	Confident	60.7	Low	3 Å²	3	77.7 Å²	77.7	3%	0.025	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	113.9	166.1	0	0	0	0	0	108.5	R7 E10 K11 I14	R7-A158 HydrophobicContact CB-CB 4.11Å; E10-A158 HydrophobicContact CB-CB 3.87Å; K11-A158 HydrophobicContact CB-CB 4.46Å; I14-A158 HydrophobicContact CD1-CB 3.94Å
159	V	74.1	Confident	63.3	Low	20 Å²	20	73 Å²	73	12%	0.121	39%	0.386	C	S	.	.			trans	-71.4	-36.4	-177.1	178.9	0	0	0	0	110.8	R7 Y157 F228 G230 A232 I271	R7-V159 PolarHBondContact NH1-O 3.25Å; Y157-V159 PolarHBondContact O-N 3.33Å; V159-F228 HydrophobicContact CB-CZ 4.2Å; V159-F228 HydrophobicContact CG2-CZ 4.06Å; V159-G230 PolarHBondContact N-O 2.91Å; V159-A232 HydrophobicContact CG2-CB 3.31Å; V159-I271 HydrophobicContact CG1-CG1 4.07Å
160	D	69	Low	66.2	Low	50 Å²	50	70.9 Å²	70.9	27%	0.267	37%	0.367	S	S	.	.	S	Bend	trans	-153.7	166	-176.3	-152.5	-14.2	0	0	0	110.3	F162 L165 L269	D160-F162 PolarHBondContact O-N 3.3Å; D160-L165 HydrophobicContact CB-CD1 4.22Å; D160-L165 HydrophobicContact CB-CD2 3.85Å; D160-L165 HydrophobicContact CB-CG 3.94Å; D160-L269 HydrophobicContact CB-CD2 4.16Å
161	D	63.7	Low	69.3	Low	25 Å²	25	62.7 Å²	62.7	13%	0.134	32%	0.323	C	S	.	.			trans	-63.6	128	171.8	-172.4	-27.8	0	0	0	109.3	R163 H164 L165	D161-R163 PolarHBondContact O-N 2.95Å; D161-R163 VanDerWaalsContact OD1-CB 3.31Å; D161-R163 WeakPolarHBondContact OD1-CB 2.96Å; D161-R163 VanDerWaalsContact OD1-CG 3.31Å; D161-R163 WeakPolarHBondContact OD1-CG 3.01Å; D161-R163 PolarHBondContact OD1-N 2.73Å; D161-R163 IonicContact OD1-NE 3.88Å; D161-R163 PolarHBondContact OD1-NE 2.9Å; D161-R163 IonicContact OD2-CZ 2.77Å; D161-R163 IonicContact OD2-NE 3.74Å; D161-R163 PolarHBondContact OD2-NE 2.85Å; D161-R163 IonicContact OD2-NH2 3.69Å; D161-R163 PolarHBondContact OD2-NH2 2.86Å; D161-H164 HydrophobicContact CB-CB 4.42Å; D161-H164 WeakPolarHBondContact O-CB 3.47Å; D161-H164 PolarHBondContact O-N 3.05Å; D161-L165 WeakPolarHBondContact O-CG 3.31Å; D161-L165 PolarHBondContact O-N 3.04Å
162	F	67.3	Low	72.3	Confident	8 Å²	8	59.4 Å²	59.4	4%	0.035	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-24.8	178.9	73.2	-86.4	0	0	0	113.1	A13 I14 D160 L165 R166 L167	A13-F162 HydrophobicContact CB-CD1 3.9Å; A13-F162 HydrophobicContact CB-CE1 3.68Å; I14-F162 HydrophobicContact CG1-CB 3.91Å; D160-F162 PolarHBondContact O-N 3.3Å; F162-L165 PolarHBondContact O-N 3.33Å; F162-R166 PolarHBondContact O-N 3.41Å; F162-L167 HydrophobicContact CB-CB 4.23Å; F162-L167 HydrophobicContact CB-CD2 4.16Å; F162-L167 PolarHBondContact O-N 3.31Å; F162-L167 VanDerWaalsContact O-N 3.16Å
163	R	64.8	Low	75	Confident	127 Å²	127	57.8 Å²	57.8	48%	0.479	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-46.4	172.8	-60.5	-179.3	-67.5	-178.7	-1.3	111.4	D161 L165 R166 L397	D161-R163 PolarHBondContact O-N 2.95Å; D161-R163 VanDerWaalsContact OD1-CB 3.31Å; D161-R163 WeakPolarHBondContact OD1-CB 2.96Å; D161-R163 VanDerWaalsContact OD1-CG 3.31Å; D161-R163 WeakPolarHBondContact OD1-CG 3.01Å; D161-R163 PolarHBondContact OD1-N 2.73Å; D161-R163 IonicContact OD1-NE 3.88Å; D161-R163 PolarHBondContact OD1-NE 2.9Å; D161-R163 IonicContact OD2-CZ 2.77Å; D161-R163 IonicContact OD2-NE 3.74Å; D161-R163 PolarHBondContact OD2-NE 2.85Å; D161-R163 IonicContact OD2-NH2 3.69Å; D161-R163 PolarHBondContact OD2-NH2 2.86Å; R163-L165 VanDerWaalsContact C-N 3.28Å; R163-L165 PolarHBondContact O-N 2.88Å; R163-R166 PolarHBondContact O-N 3.49Å; R163-L397 HydrophobicContact CB-CD2 4.22Å; R163-L397 HydrophobicContact CG-CD2 3.83Å
164	H	64	Low	77.5	Confident	143 Å²	143	49.6 Å²	49.6	66%	0.662	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-34.2	175.3	-71.9	-52.4	0	0	0	111.7	D161 R166	D161-H164 HydrophobicContact CB-CB 4.42Å; D161-H164 WeakPolarHBondContact O-CB 3.47Å; D161-H164 PolarHBondContact O-N 3.05Å; H164-R166 PolarHBondContact O-N 3.25Å
165	L	69.2	Low	79.5	Confident	7 Å²	7	47.4 Å²	47.4	4%	0.037	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-13.1	177.3	-64.9	176.6	0	0	0	114.5	D160 D161 F162 R163 L167 K170 F228 L269	D160-L165 HydrophobicContact CB-CD1 4.22Å; D160-L165 HydrophobicContact CB-CD2 3.85Å; D160-L165 HydrophobicContact CB-CG 3.94Å; D161-L165 WeakPolarHBondContact O-CG 3.31Å; D161-L165 PolarHBondContact O-N 3.04Å; F162-L165 PolarHBondContact O-N 3.33Å; R163-L165 VanDerWaalsContact C-N 3.28Å; R163-L165 PolarHBondContact O-N 2.88Å; L165-L167 HydrophobicContact CB-CB 4.24Å; L165-L167 PolarHBondContact O-N 3.22Å; L165-K170 PolarHBondContact O-NZ 3.26Å; L165-F228 HydrophobicContact CD1-CE1 4.28Å; L165-F228 HydrophobicContact CD2-CD1 4.26Å; L165-F228 HydrophobicContact CD2-CE1 3.96Å; L165-L269 HydrophobicContact CD2-CD1 3.35Å; L165-L269 HydrophobicContact CD2-CD2 3.39Å; L165-L269 HydrophobicContact CD2-CG 3.91Å
166	R	83.1	Confident	80.7	Confident	160 Å²	160	48.3 Å²	48.3	60%	0.604	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.8	36.9	-167.1	-64.5	177.1	177.6	-160	4.8	111.3	F162 R163 H164 F168 E169 K170	F162-R166 PolarHBondContact O-N 3.41Å; R163-R166 PolarHBondContact O-N 3.49Å; H164-R166 PolarHBondContact O-N 3.25Å; R166-F168 VanDerWaalsContact C-N 3.28Å; R166-F168 PolarHBondContact O-N 2.89Å; R166-E169 HydrophobicContact CB-CB 4.42Å; R166-E169 WeakPolarHBondContact CB-OE2 2.94Å; R166-E169 VanDerWaalsContact CD-OE2 3.28Å; R166-E169 WeakPolarHBondContact CD-OE2 2.9Å; R166-E169 PolarHBondContact O-N 3.2Å; R166-K170 WeakPolarHBondContact O-CG 2.81Å; R166-K170 PolarHBondContact O-N 3.31Å; R166-K170 VanDerWaalsContact O-N 3.11Å
167	L	85.1	Confident	81.4	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-60	-43.5	-172.8	176.2	62.1	0	0	0	110.6	I14 F162 L165 E169 K170 L171 I227 F228 S229	I14-L167 HydrophobicContact CG1-CD2 4.29Å; I14-L167 HydrophobicContact CG2-CD2 4.14Å; F162-L167 HydrophobicContact CB-CB 4.23Å; F162-L167 HydrophobicContact CB-CD2 4.16Å; F162-L167 PolarHBondContact O-N 3.31Å; F162-L167 VanDerWaalsContact O-N 3.16Å; L165-L167 HydrophobicContact CB-CB 4.24Å; L165-L167 PolarHBondContact O-N 3.22Å; L167-E169 PolarHBondContact O-N 3.48Å; L167-K170 PolarHBondContact O-N 2.95Å; L167-L171 HydrophobicContact CD1-CD1 4.25Å; L167-L171 HydrophobicContact CD1-CG 4.13Å; L167-L171 HydrophobicContact CG-CD1 3.97Å; L167-L171 HydrophobicContact CG-CG 4.29Å; L167-L171 VanDerWaalsContact O-CG 3.3Å; L167-L171 WeakPolarHBondContact O-CG 2.99Å; L167-L171 PolarHBondContact O-N 3.35Å; L167-I227 HydrophobicContact CD1-CG2 3.85Å; L167-F228 WeakPolarHBondContact CD1-O 3.48Å; L167-S229 VanDerWaalsContact CD2-O 3.31Å; L167-S229 WeakPolarHBondContact CD2-O 3.46Å
168	F	83.5	Confident	82.2	Confident	13 Å²	13	45.6 Å²	45.6	6%	0.057	21%	0.213	C	C	.	.	H	α-helix	trans	-61.8	-41.3	-178.9	-164.4	-110.2	0	0	0	113.1	N51 M52 R166 L171 G172 P393 A394 L397	N51-F168 HydrophobicContact CB-CE2 4.11Å; N51-F168 HydrophobicContact CB-CZ 3.85Å; M52-F168 VanDerWaalsContact CA-CE1 3.42Å; M52-F168 HydrophobicContact CB-CE2 4.42Å; M52-F168 HydrophobicContact CB-CZ 4.4Å; M52-F168 HydrophobicContact CG-CD2 3.81Å; M52-F168 HydrophobicContact CG-CE1 4.46Å; M52-F168 HydrophobicContact CG-CE2 3.57Å; M52-F168 HydrophobicContact CG-CG 4.38Å; M52-F168 HydrophobicContact CG-CZ 4.01Å; R166-F168 VanDerWaalsContact C-N 3.28Å; R166-F168 PolarHBondContact O-N 2.89Å; F168-L171 PolarHBondContact O-N 3.17Å; F168-G172 PolarHBondContact O-N 2.72Å; F168-P393 HydrophobicContact CD2-CB 4.47Å; F168-P393 HydrophobicContact CD2-CG 4.3Å; F168-P393 HydrophobicContact CE2-CB 4.07Å; F168-P393 HydrophobicContact CE2-CG 3.5Å; F168-P393 HydrophobicContact CZ-CB 4.49Å; F168-P393 HydrophobicContact CZ-CG 3.94Å; F168-A394 HydrophobicContact CE1-CB 4.43Å; F168-A394 HydrophobicContact CZ-CB 4.48Å; F168-L397 HydrophobicContact CB-CD1 4.15Å; F168-L397 HydrophobicContact CD1-CD1 3.84Å; F168-L397 HydrophobicContact CE1-CD1 4.35Å; F168-L397 HydrophobicContact CG-CD1 4.14Å
169	E	85.3	Confident	82.9	Confident	89 Å²	89	47.7 Å²	47.7	42%	0.416	22%	0.223	S	C	.	.	H	α-helix	trans	-64.8	-43.9	175.6	-63	172.2	-177.1	0	0	110.9	M53 R166 L167 G172 T173	M53-E169 HydrophobicContact CE-CG 4.22Å; R166-E169 HydrophobicContact CB-CB 4.42Å; R166-E169 WeakPolarHBondContact CB-OE2 2.94Å; R166-E169 VanDerWaalsContact CD-OE2 3.28Å; R166-E169 WeakPolarHBondContact CD-OE2 2.9Å; R166-E169 PolarHBondContact O-N 3.2Å; L167-E169 PolarHBondContact O-N 3.48Å; E169-G172 PolarHBondContact O-N 3.21Å; E169-T173 PolarHBondContact O-N 3.36Å; E169-T173 PolarHBondContact O-OG1 3.03Å
170	K	89.9	Confident	83.8	Confident	75 Å²	75	50.7 Å²	50.7	33%	0.326	24%	0.241	S	C	.	.	H	α-helix	trans	-61.8	-44.6	176.3	-69.8	170.5	177.7	161.2	0	111.3	L165 R166 L167 G172 T173 L174 I227	L165-K170 PolarHBondContact O-NZ 3.26Å; R166-K170 WeakPolarHBondContact O-CG 2.81Å; R166-K170 PolarHBondContact O-N 3.31Å; R166-K170 VanDerWaalsContact O-N 3.11Å; L167-K170 PolarHBondContact O-N 2.95Å; K170-G172 VanDerWaalsContact C-N 3.33Å; K170-G172 PolarHBondContact O-N 2.9Å; K170-T173 PolarHBondContact O-N 3.23Å; K170-L174 PolarHBondContact O-N 3.37Å; K170-I227 VanDerWaalsContact C-CD1 3.4Å; K170-I227 HydrophobicContact CB-CD1 3.86Å; K170-I227 HydrophobicContact CB-CG1 4.35Å; K170-I227 HydrophobicContact CB-CG2 4.04Å; K170-I227 HydrophobicContact CD-CG2 4.37Å; K170-I227 WeakPolarHBondContact O-CD1 3.49Å
171	L	92.2	Very high	85.1	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.7	-40.9	175.9	-69.4	175	0	0	0	111.4	C17 L18 F21 M52 L167 F168 L174 L175 I227 L280	C17-L171 HydrophobicContact CB-CD1 4.15Å; L18-L171 HydrophobicContact CD2-CD2 4.42Å; F21-L171 HydrophobicContact CB-CB 4.47Å; F21-L171 HydrophobicContact CB-CD1 4.17Å; F21-L171 HydrophobicContact CB-CD2 4.13Å; F21-L171 HydrophobicContact CB-CG 4.48Å; F21-L171 HydrophobicContact CD1-CD2 4.24Å; F21-L171 HydrophobicContact CD2-CB 3.87Å; F21-L171 HydrophobicContact CD2-CD2 3.89Å; F21-L171 HydrophobicContact CD2-CG 4.41Å; F21-L171 HydrophobicContact CE2-CD2 4.39Å; F21-L171 WeakPolarHBondContact CE2-O 2.98Å; F21-L171 HydrophobicContact CG-CB 4.39Å; F21-L171 HydrophobicContact CG-CD2 3.8Å; F21-L171 HydrophobicContact CG-CG 4.5Å; M52-L171 HydrophobicContact CG-CB 4.5Å; M52-L171 HydrophobicContact SD-CB 3.85Å; L167-L171 HydrophobicContact CD1-CD1 4.25Å; L167-L171 HydrophobicContact CD1-CG 4.13Å; L167-L171 HydrophobicContact CG-CD1 3.97Å; L167-L171 HydrophobicContact CG-CG 4.29Å; L167-L171 VanDerWaalsContact O-CG 3.3Å; L167-L171 WeakPolarHBondContact O-CG 2.99Å; L167-L171 PolarHBondContact O-N 3.35Å; F168-L171 PolarHBondContact O-N 3.17Å; L171-L174 PolarHBondContact O-N 3.2Å; L171-L175 WeakPolarHBondContact O-CB 3.37Å; L171-L175 PolarHBondContact O-N 3.06Å; L171-I227 HydrophobicContact CD2-CD1 4.22Å; L171-L280 HydrophobicContact CD2-CD2 3.8Å
172	G	91.3	Very high	86.6	Confident	3 Å²	3	47.6 Å²	47.6	3%	0.031	23%	0.225	C	C	.	.	H	α-helix	trans	-60.6	-42.5	172.7	0	0	0	0	0	113	M52 F168 E169 K170 L175 K176	M52-G172 WeakPolarHBondContact O-CA 3.27Å; F168-G172 PolarHBondContact O-N 2.72Å; E169-G172 PolarHBondContact O-N 3.21Å; K170-G172 VanDerWaalsContact C-N 3.33Å; K170-G172 PolarHBondContact O-N 2.9Å; G172-L175 PolarHBondContact O-N 3.28Å; G172-K176 WeakPolarHBondContact O-CG 2.96Å; G172-K176 PolarHBondContact O-N 2.99Å
173	T	91.2	Very high	87.7	Confident	77 Å²	77	49 Å²	49	47%	0.472	23%	0.23	S	C	.	.	H	α-helix	trans	-63.6	-44.4	174.2	-61.5	0	0	0	0	112	E169 K170 L175 K176 S177	E169-T173 PolarHBondContact O-N 3.36Å; E169-T173 PolarHBondContact O-OG1 3.03Å; K170-T173 PolarHBondContact O-N 3.23Å; T173-L175 VanDerWaalsContact C-N 3.29Å; T173-L175 PolarHBondContact O-N 3.43Å; T173-K176 WeakPolarHBondContact O-CB 3.23Å; T173-K176 PolarHBondContact O-N 3.19Å; T173-S177 PolarHBondContact O-N 3.42Å; T173-S177 PolarHBondContact O-OG 2.8Å
174	L	94.7	Very high	88.9	Confident	8 Å²	8	47.4 Å²	47.4	4%	0.042	23%	0.231	C	C	.	.	H	α-helix	trans	-63.7	-36.3	176	179.8	61.8	0	0	0	112.1	F21 K170 L171 S177 I178 V224 I227	F21-L174 HydrophobicContact CE1-CD2 4.12Å; F21-L174 HydrophobicContact CE2-CB 4.06Å; F21-L174 HydrophobicContact CE2-CD2 4.03Å; F21-L174 HydrophobicContact CE2-CG 3.98Å; F21-L174 HydrophobicContact CZ-CB 4.25Å; F21-L174 HydrophobicContact CZ-CD2 3.43Å; F21-L174 VanDerWaalsContact CZ-CD2 3.43Å; F21-L174 HydrophobicContact CZ-CG 3.65Å; K170-L174 PolarHBondContact O-N 3.37Å; L171-L174 PolarHBondContact O-N 3.2Å; L174-S177 WeakPolarHBondContact O-CB 3.38Å; L174-S177 PolarHBondContact O-N 3.24Å; L174-I178 WeakPolarHBondContact O-CG1 3.18Å; L174-I178 PolarHBondContact O-N 2.77Å; L174-V224 HydrophobicContact CD1-CG1 4.1Å; L174-I227 HydrophobicContact CB-CD1 3.49Å; L174-I227 VanDerWaalsContact CB-CD1 3.49Å; L174-I227 HydrophobicContact CD2-CD1 3.67Å; L174-I227 HydrophobicContact CD2-CG1 4.23Å; L174-I227 HydrophobicContact CG-CD1 4.18Å
175	L	94.9	Very high	90.3	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.2	-42.3	175.1	-175	60.4	0	0	0	111.1	F21 K24 M52 V54 V56 L171 G172 T173 S177 I178 M179	F21-L175 HydrophobicContact CD2-CB 4.45Å; F21-L175 HydrophobicContact CE2-CB 4.07Å; K24-L175 HydrophobicContact CB-CD1 4.46Å; K24-L175 HydrophobicContact CB-CD2 4.02Å; K24-L175 HydrophobicContact CD-CD2 4.44Å; M52-L175 HydrophobicContact CE-CD2 3.92Å; V54-L175 HydrophobicContact CB-CD2 4.06Å; V54-L175 HydrophobicContact CG1-CD2 4.18Å; V56-L175 HydrophobicContact CG2-CD2 4.39Å; L171-L175 WeakPolarHBondContact O-CB 3.37Å; L171-L175 PolarHBondContact O-N 3.06Å; G172-L175 PolarHBondContact O-N 3.28Å; T173-L175 VanDerWaalsContact C-N 3.29Å; T173-L175 PolarHBondContact O-N 3.43Å; L175-S177 VanDerWaalsContact C-N 3.31Å; L175-S177 PolarHBondContact O-N 2.87Å; L175-I178 WeakPolarHBondContact O-CB 3.38Å; L175-I178 PolarHBondContact O-N 2.98Å; L175-M179 WeakPolarHBondContact O-CG 2.96Å; L175-M179 PolarHBondContact O-N 3.45Å
176	K	93	Very high	91.3	Very high	103 Å²	103	42.4 Å²	42.4	45%	0.448	21%	0.211	S	C	.	.	H	α-helix	trans	-59.9	-40.5	171.7	-67.2	170.3	-174.7	176	0	111.7	V54 G172 T173 M179 V180	V54-K176 HydrophobicContact CG2-CD 4.36Å; V54-K176 HydrophobicContact CG2-CG 3.84Å; G172-K176 WeakPolarHBondContact O-CG 2.96Å; G172-K176 PolarHBondContact O-N 2.99Å; T173-K176 WeakPolarHBondContact O-CB 3.23Å; T173-K176 PolarHBondContact O-N 3.19Å; K176-M179 WeakPolarHBondContact O-CB 2.9Å; K176-M179 PolarHBondContact O-N 2.97Å; K176-V180 PolarHBondContact O-N 3.34Å
177	S	94.9	Very high	91.7	Very high	45 Å²	45	34.9 Å²	34.9	32%	0.315	18%	0.183	S	C	.	.	H	α-helix	trans	-62.2	-42.8	174	-59	0	0	0	0	112.2	T173 L174 L175 M179 V180 V181	T173-S177 PolarHBondContact O-N 3.42Å; T173-S177 PolarHBondContact O-OG 2.8Å; L174-S177 WeakPolarHBondContact O-CB 3.38Å; L174-S177 PolarHBondContact O-N 3.24Å; L175-S177 VanDerWaalsContact C-N 3.31Å; L175-S177 PolarHBondContact O-N 2.87Å; S177-M179 VanDerWaalsContact C-N 3.29Å; S177-M179 PolarHBondContact O-N 3.13Å; S177-V180 PolarHBondContact O-N 3.12Å; S177-V181 VanDerWaalsContact O-CG2 3.27Å; S177-V181 WeakPolarHBondContact O-CG2 3.26Å; S177-V181 PolarHBondContact O-N 3.23Å
178	I	96.1	Very high	92	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-59.5	-42.4	173.2	-67.4	167.4	0	0	0	110.4	F21 S25 T28 I29 W103 F105 L174 L175 V180 V181 T182 V224 T282	F21-I178 HydrophobicContact CE1-CD1 4.48Å; F21-I178 HydrophobicContact CE2-CD1 4.28Å; F21-I178 HydrophobicContact CZ-CD1 3.65Å; S25-I178 WeakPolarHBondContact OG-CD1 3.13Å; T28-I178 HydrophobicContact CG2-CG2 4.24Å; I29-I178 HydrophobicContact CD1-CG2 4.1Å; I29-I178 HydrophobicContact CG1-CG2 3.71Å; W103-I178 HydrophobicContact CH2-CG2 4.4Å; W103-I178 HydrophobicContact CZ3-CG2 4.12Å; F105-I178 HydrophobicContact CE1-CD1 4.14Å; L174-I178 WeakPolarHBondContact O-CG1 3.18Å; L174-I178 PolarHBondContact O-N 2.77Å; L175-I178 WeakPolarHBondContact O-CB 3.38Å; L175-I178 PolarHBondContact O-N 2.98Å; I178-V180 VanDerWaalsContact C-N 3.34Å; I178-V180 PolarHBondContact O-N 3.12Å; I178-V181 PolarHBondContact O-N 3.49Å; I178-T182 HydrophobicContact CG2-CG2 4.14Å; I178-T182 WeakPolarHBondContact O-CB 2.95Å; I178-T182 VanDerWaalsContact O-CG2 3.26Å; I178-T182 WeakPolarHBondContact O-CG2 3.36Å; I178-T182 PolarHBondContact O-N 2.79Å; I178-T182 PolarHBondContact O-OG1 3.21Å; I178-V224 HydrophobicContact CG1-CG1 3.77Å; I178-T282 HydrophobicContact CD1-CG2 3.99Å; I178-T282 HydrophobicContact CG1-CG2 4.21Å
179	M	93.5	Very high	92.3	Very high	47 Å²	47	40.8 Å²	40.8	23%	0.232	21%	0.21	C	C	.	.	H	α-helix	trans	-57.2	-47.5	175.6	-67.9	174.5	76.6	0	0	111	T28 V54 L175 K176 S177 T182 R183	T28-M179 HydrophobicContact CG2-CB 4.3Å; T28-M179 HydrophobicContact CG2-CG 3.45Å; T28-M179 VanDerWaalsContact CG2-CG 3.45Å; V54-M179 HydrophobicContact CG1-SD 3.68Å; L175-M179 WeakPolarHBondContact O-CG 2.96Å; L175-M179 PolarHBondContact O-N 3.45Å; K176-M179 WeakPolarHBondContact O-CB 2.9Å; K176-M179 PolarHBondContact O-N 2.97Å; S177-M179 VanDerWaalsContact C-N 3.29Å; S177-M179 PolarHBondContact O-N 3.13Å; M179-T182 PolarHBondContact O-OG1 3.21Å; M179-R183 VanDerWaalsContact CA-NH1 3.32Å; M179-R183 WeakPolarHBondContact O-CD 3.17Å; M179-R183 PolarHBondContact O-NE 2.79Å; M179-R183 PolarHBondContact O-NH1 3.34Å
180	V	93.8	Very high	92.4	Very high	83 Å²	83	36.6 Å²	36.6	50%	0.503	19%	0.19	S	C	.	.	H	α-helix	trans	-65	-50.8	178.5	176.3	0	0	0	0	111.5	K176 S177 I178 T182 R183 L184	K176-V180 PolarHBondContact O-N 3.34Å; S177-V180 PolarHBondContact O-N 3.12Å; I178-V180 VanDerWaalsContact C-N 3.34Å; I178-V180 PolarHBondContact O-N 3.12Å; V180-T182 VanDerWaalsContact C-N 3.32Å; V180-T182 PolarHBondContact O-N 2.81Å; V180-R183 PolarHBondContact O-N 3.32Å; V180-L184 HydrophobicContact CG1-CD1 3.95Å; V180-L184 HydrophobicContact CG1-CG 4.38Å; V180-L184 PolarHBondContact O-N 2.88Å
181	V	94.7	Very high	92.5	Very high	10 Å²	10	33 Å²	33	6%	0.061	18%	0.175	C	C	.	.	H	α-helix	trans	-59.2	-43.1	-175	172.4	0	0	0	0	111.8	W103 S177 I178 R183 L184 L185 Y222 V224 V284	W103-V181 HydrophobicContact CH2-CB 4.33Å; W103-V181 HydrophobicContact CH2-CG1 3.83Å; S177-V181 VanDerWaalsContact O-CG2 3.27Å; S177-V181 WeakPolarHBondContact O-CG2 3.26Å; S177-V181 PolarHBondContact O-N 3.23Å; I178-V181 PolarHBondContact O-N 3.49Å; V181-R183 PolarHBondContact O-N 2.93Å; V181-L184 PolarHBondContact O-N 2.87Å; V181-L185 HydrophobicContact CG1-CD1 4.23Å; V181-L185 HydrophobicContact CG1-CD2 4.42Å; V181-L185 HydrophobicContact CG1-CG 4.17Å; V181-L185 WeakPolarHBondContact O-CG 3.31Å; V181-L185 PolarHBondContact O-N 3.23Å; V181-Y222 HydrophobicContact CG1-CD1 4.04Å; V181-Y222 HydrophobicContact CG1-CE1 4.23Å; V181-Y222 HydrophobicContact CG2-CD1 4.21Å; V181-Y222 HydrophobicContact CG2-CE1 3.57Å; V181-V224 HydrophobicContact CG1-CG2 4.18Å; V181-V224 HydrophobicContact CG2-CG1 4.15Å; V181-V224 HydrophobicContact CG2-CG2 4.41Å; V181-V284 HydrophobicContact CG1-CG1 4.21Å
182	T	95	Very high	92.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-57.5	-19.8	178.1	45.1	0	0	0	0	113.6	I29 R33 W103 I178 M179 V180 Y188	I29-T182 HydrophobicContact CB-CG2 4.19Å; I29-T182 HydrophobicContact CG1-CG2 3.69Å; I29-T182 HydrophobicContact CG2-CG2 4.35Å; R33-T182 PolarHBondContact NH1-O 3.3Å; R33-T182 PolarHBondContact NH2-O 2.97Å; W103-T182 HydrophobicContact CH2-CG2 3.55Å; W103-T182 HydrophobicContact CZ2-CG2 3.43Å; W103-T182 VanDerWaalsContact CZ2-CG2 3.43Å; I178-T182 HydrophobicContact CG2-CG2 4.14Å; I178-T182 WeakPolarHBondContact O-CB 2.95Å; I178-T182 VanDerWaalsContact O-CG2 3.26Å; I178-T182 WeakPolarHBondContact O-CG2 3.36Å; I178-T182 PolarHBondContact O-N 2.79Å; I178-T182 PolarHBondContact O-OG1 3.21Å; M179-T182 PolarHBondContact O-OG1 3.21Å; V180-T182 VanDerWaalsContact C-N 3.32Å; V180-T182 PolarHBondContact O-N 2.81Å; T182-Y188 WeakPolarHBondContact O-CB 3.43Å
183	R	91.4	Very high	92.1	Very high	37 Å²	37	43.3 Å²	43.3	14%	0.14	21%	0.213	C	C	.	.	H	α-helix	trans	-93.5	-21.3	174.9	-71.9	79.7	175.9	160.3	-3.6	113.1	M179 V180 V181 Y188 A550	M179-R183 VanDerWaalsContact CA-NH1 3.32Å; M179-R183 WeakPolarHBondContact O-CD 3.17Å; M179-R183 PolarHBondContact O-NE 2.79Å; M179-R183 PolarHBondContact O-NH1 3.34Å; V180-R183 PolarHBondContact O-N 3.32Å; V181-R183 PolarHBondContact O-N 2.93Å; R183-Y188 HydrophobicContact CB-CD1 4.13Å; R183-Y188 HydrophobicContact CB-CE1 4.16Å; R183-Y188 HydrophobicContact CB-CG 4.34Å; R183-Y188 HydrophobicContact CG-CD1 4.35Å; R183-Y188 HydrophobicContact CG-CD2 4.17Å; R183-Y188 HydrophobicContact CG-CE1 4.03Å; R183-Y188 HydrophobicContact CG-CE2 3.86Å; R183-Y188 HydrophobicContact CG-CG 4.41Å; R183-Y188 VanDerWaalsContact O-CD1 3.3Å; R183-Y188 WeakPolarHBondContact O-CD1 3.37Å; R183-A550 HydrophobicContact CB-CB 4.36Å
184	L	90.9	Very high	91.9	Very high	94 Å²	94	41.7 Å²	41.7	49%	0.492	20%	0.2	S	C	.	.	H	α-helix	trans	-82.6	-21.5	178.8	-61.9	178.6	0	0	0	113.1	V180 V181	V180-L184 HydrophobicContact CG1-CD1 3.95Å; V180-L184 HydrophobicContact CG1-CG 4.38Å; V180-L184 PolarHBondContact O-N 2.88Å; V181-L184 PolarHBondContact O-N 2.87Å
185	L	92.5	Very high	91.3	Very high	9 Å²	9	44.3 Å²	44.3	5%	0.047	21%	0.214	C	C	.	.	S	Bend	trans	-73.4	146.8	-179	-64.7	176.3	0	0	0	112.3	E101 W103 V181 G187 Y188 V284 Y286	E101-L185 WeakPolarHBondContact OE1-CB 3.43Å; W103-L185 HydrophobicContact CH2-CD1 4.19Å; W103-L185 HydrophobicContact CZ2-CD1 3.46Å; W103-L185 VanDerWaalsContact CZ2-CD1 3.46Å; V181-L185 HydrophobicContact CG1-CD1 4.23Å; V181-L185 HydrophobicContact CG1-CD2 4.42Å; V181-L185 HydrophobicContact CG1-CG 4.17Å; V181-L185 WeakPolarHBondContact O-CG 3.31Å; V181-L185 PolarHBondContact O-N 3.23Å; L185-G187 PolarHBondContact O-N 3.26Å; L185-G187 VanDerWaalsContact O-N 3.12Å; L185-Y188 VanDerWaalsContact O-CB 3.3Å; L185-Y188 WeakPolarHBondContact O-CB 3.34Å; L185-Y188 PolarHBondContact O-N 3.42Å; L185-V284 HydrophobicContact CD1-CB 4.45Å; L185-V284 HydrophobicContact CD1-CG1 4.08Å; L185-V284 HydrophobicContact CD1-CG2 3.7Å; L185-V284 HydrophobicContact CD2-CG1 4.33Å; L185-Y286 HydrophobicContact CD2-CD1 3.67Å; L185-Y286 HydrophobicContact CD2-CD2 4.32Å; L185-Y286 HydrophobicContact CD2-CE1 3.83Å; L185-Y286 HydrophobicContact CD2-CE2 4.44Å; L185-Y286 HydrophobicContact CD2-CG 3.93Å
186	P	89.9	Confident	90.7	Very high	37 Å²	37	47.3 Å²	47.3	24%	0.24	23%	0.233	C	C	.	.	H	α-helix	trans	-54.8	-31.5	176.3	-26.8	35	0	0	0	114.2	Y188 Q189 L190 Y286 I290	P186-Y188 PolarHBondContact O-N 2.74Å; P186-Q189 PolarHBondContact O-N 3.21Å; P186-L190 PolarHBondContact O-N 3.03Å; P186-L190 VanDerWaalsContact O-N 3.13Å; P186-Y286 HydrophobicContact CG-CD2 4.12Å; P186-Y286 HydrophobicContact CG-CE2 4.2Å; P186-I290 HydrophobicContact CB-CD1 3.62Å
187	G	90.8	Very high	90.2	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-63.3	-22	176.8	0	0	0	0	0	113.9	E101 L185 S191	E101-G187 VanDerWaalsContact OE1-CA 3.29Å; E101-G187 WeakPolarHBondContact OE1-CA 3.4Å; L185-G187 PolarHBondContact O-N 3.26Å; L185-G187 VanDerWaalsContact O-N 3.12Å; G187-S191 WeakPolarHBondContact O-CB 3.29Å; G187-S191 PolarHBondContact O-N 3.34Å
188	Y	93	Very high	89.7	Confident	19 Å²	19	47.9 Å²	47.9	8%	0.075	24%	0.236	C	C	.	.	H	α-helix	trans	-65.6	-54.5	171.1	-174.8	-117.3	0	0	0	111.1	A32 T182 R183 L185 P186 L190 S191 R192	A32-Y188 WeakPolarHBondContact O-CD2 3.17Å; T182-Y188 WeakPolarHBondContact O-CB 3.43Å; R183-Y188 HydrophobicContact CB-CD1 4.13Å; R183-Y188 HydrophobicContact CB-CE1 4.16Å; R183-Y188 HydrophobicContact CB-CG 4.34Å; R183-Y188 HydrophobicContact CG-CD1 4.35Å; R183-Y188 HydrophobicContact CG-CD2 4.17Å; R183-Y188 HydrophobicContact CG-CE1 4.03Å; R183-Y188 HydrophobicContact CG-CE2 3.86Å; R183-Y188 HydrophobicContact CG-CG 4.41Å; R183-Y188 VanDerWaalsContact O-CD1 3.3Å; R183-Y188 WeakPolarHBondContact O-CD1 3.37Å; L185-Y188 VanDerWaalsContact O-CB 3.3Å; L185-Y188 WeakPolarHBondContact O-CB 3.34Å; L185-Y188 PolarHBondContact O-N 3.42Å; P186-Y188 PolarHBondContact O-N 2.74Å; Y188-L190 PolarHBondContact O-N 3.29Å; Y188-S191 PolarHBondContact O-N 3.43Å; Y188-S191 PolarHBondContact O-OG 3.01Å; Y188-R192 HydrophobicContact CD1-CG 4.47Å; Y188-R192 HydrophobicContact CE1-CG 4.23Å; Y188-R192 HydrophobicContact CE2-CG 4.45Å; Y188-R192 WeakPolarHBondContact O-CG 3.44Å; Y188-R192 PolarHBondContact O-N 3.49Å
189	Q	88.2	Confident	89.3	Confident	119 Å²	119	48 Å²	48	56%	0.556	24%	0.236	S	C	*	.	H	α-helix	trans	-58.8	-36.6	178.9	-64.4	-177.7	4.9	0	0	111.6	P186 R192 R193	P186-Q189 PolarHBondContact O-N 3.21Å; Q189-R192 PolarHBondContact O-N 3.22Å; Q189-R193 WeakPolarHBondContact O-CG 3.45Å; Q189-R193 PolarHBondContact O-N 2.91Å
190	L	89.3	Confident	89.1	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.01	23%	0.228	C	C	.	.	H	α-helix	trans	-62.4	-50.4	173.3	-172.4	67.7	0	0	0	111.4	A88 M98 V100 P186 Y188 R192 R193 Q194 Y199 M201 I290 F292 L298	A88-L190 HydrophobicContact CB-CD2 4.28Å; M98-L190 HydrophobicContact CE-CD2 4.28Å; V100-L190 HydrophobicContact CG1-CD2 4.2Å; V100-L190 HydrophobicContact CG2-CD2 3.89Å; P186-L190 PolarHBondContact O-N 3.03Å; P186-L190 VanDerWaalsContact O-N 3.13Å; Y188-L190 PolarHBondContact O-N 3.29Å; L190-R192 PolarHBondContact O-N 3.38Å; L190-R192 VanDerWaalsContact O-N 3.15Å; L190-R193 PolarHBondContact O-N 2.77Å; L190-Q194 PolarHBondContact O-N 3.02Å; L190-Y199 HydrophobicContact CD1-CE1 4.36Å; L190-Y199 HydrophobicContact CD1-CE2 3.67Å; L190-Y199 VanDerWaalsContact CD1-OH 3.25Å; L190-Y199 WeakPolarHBondContact CD1-OH 3.31Å; L190-Y199 HydrophobicContact CD2-CE2 4.38Å; L190-Y199 HydrophobicContact CG-CE2 3.7Å; L190-Y199 PolarHBondContact O-OH 2.97Å; L190-M201 HydrophobicContact CD2-CE 4.35Å; L190-M201 HydrophobicContact CD2-SD 3.92Å; L190-M201 HydrophobicContact CG-SD 4.01Å; L190-I290 HydrophobicContact CD1-CG2 4.47Å; L190-F292 HydrophobicContact CD1-CE1 4.29Å; L190-F292 HydrophobicContact CD1-CZ 4.11Å; L190-L298 HydrophobicContact CD1-CD1 3.92Å; L190-L298 HydrophobicContact CD1-CD2 3.74Å; L190-L298 HydrophobicContact CD1-CG 4.27Å; L190-L298 HydrophobicContact CD2-CD2 4.26Å
191	S	91.4	Very high	89	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-58.7	-30.7	177.9	74.8	0	0	0	0	113.9	A32 R33 G35 G187 Y188 R193 Q194	A32-S191 PolarHBondContact O-OG 3.16Å; R33-S191 WeakPolarHBondContact O-CB 3.32Å; G35-S191 WeakPolarHBondContact CA-O 3.34Å; G187-S191 WeakPolarHBondContact O-CB 3.29Å; G187-S191 PolarHBondContact O-N 3.34Å; Y188-S191 PolarHBondContact O-N 3.43Å; Y188-S191 PolarHBondContact O-OG 3.01Å; S191-R193 VanDerWaalsContact C-N 3.27Å; S191-R193 PolarHBondContact O-N 3.37Å; S191-Q194 VanDerWaalsContact O-CG 3.29Å; S191-Q194 WeakPolarHBondContact O-CG 3.23Å; S191-Q194 PolarHBondContact O-NE2 2.92Å
192	R	88.7	Confident	88.9	Confident	90 Å²	90	41.9 Å²	41.9	34%	0.34	20%	0.201	S	C	.	.	H	α-helix	trans	-71.1	-20.5	176.4	-63.6	-51.5	-58.8	-137.3	-2.9	113.8	G35 V37 Y188 Q189 L190	G35-R192 VanDerWaalsContact O-CZ 3.27Å; G35-R192 PolarHBondContact O-NE 2.72Å; G35-R192 VanDerWaalsContact O-NE 3.08Å; V37-R192 VanDerWaalsContact N-NH1 3.13Å; Y188-R192 HydrophobicContact CD1-CG 4.47Å; Y188-R192 HydrophobicContact CE1-CG 4.23Å; Y188-R192 HydrophobicContact CE2-CG 4.45Å; Y188-R192 WeakPolarHBondContact O-CG 3.44Å; Y188-R192 PolarHBondContact O-N 3.49Å; Q189-R192 PolarHBondContact O-N 3.22Å; L190-R192 PolarHBondContact O-N 3.38Å; L190-R192 VanDerWaalsContact O-N 3.15Å
193	R	86.6	Confident	88.9	Confident	129 Å²	129	42.1 Å²	42.1	49%	0.487	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	7.1	-177	-64.7	177.5	-176	175.8	2.7	112.7	Q189 L190 S191 Y199	Q189-R193 WeakPolarHBondContact O-CG 3.45Å; Q189-R193 PolarHBondContact O-N 2.91Å; L190-R193 PolarHBondContact O-N 2.77Å; S191-R193 VanDerWaalsContact C-N 3.27Å; S191-R193 PolarHBondContact O-N 3.37Å; R193-Y199 WeakPolarHBondContact CB-OH 3.44Å; R193-Y199 PolarHBondContact O-OH 3.28Å
194	Q	87.6	Confident	89	Confident	43 Å²	43	42.1 Å²	42.1	20%	0.201	21%	0.206	C	C	.	.			trans	-64.4	139.8	-178.6	73.3	-172.7	-63.1	0	0	110.6	R33 N34 L190 S191 Y199 M201	R33-Q194 PolarHBondContact O-NE2 2.76Å; R33-Q194 VanDerWaalsContact O-NE2 3.07Å; N34-Q194 VanDerWaalsContact C-NE2 3.31Å; N34-Q194 PolarHBondContact O-NE2 3.47Å; L190-Q194 PolarHBondContact O-N 3.02Å; S191-Q194 VanDerWaalsContact O-CG 3.29Å; S191-Q194 WeakPolarHBondContact O-CG 3.23Å; S191-Q194 PolarHBondContact O-NE2 2.92Å; Q194-Y199 HydrophobicContact CB-CD2 4.36Å; Q194-Y199 HydrophobicContact CB-CE2 3.81Å; Q194-Y199 PolarHBondContact N-OH 2.83Å; Q194-M201 HydrophobicContact CB-CG 4.44Å
195	D	81.9	Confident	89.2	Confident	62 Å²	62	38.4 Å²	38.4	33%	0.332	19%	0.187	S	C	.	.	B	Isolated β-bridge	trans	-130.1	127.2	177	-177.6	-76.8	0	0	0	108.2	N197 E198 Y199	D195-N197 PolarHBondContact O-N 3.32Å; D195-N197 WeakPolarHBondContact OD1-CA 3.33Å; D195-N197 WeakPolarHBondContact OD1-CB 3.42Å; D195-N197 PolarHBondContact OD1-N 3.23Å; D195-N197 PolarHBondContact OD1-ND2 2.88Å; D195-E198 HydrophobicContact CB-CB 4.22Å; D195-E198 HydrophobicContact CB-CG 4.19Å; D195-E198 PolarHBondContact O-N 2.75Å; D195-Y199 CarbonylContact C-O 3.6Å; D195-Y199 PolarHBondContact N-O 3.33Å; D195-Y199 VanDerWaalsContact N-O 3.16Å; D195-Y199 CarbonylContact O-C 3.48Å; D195-Y199 PolarHBondContact O-N 2.93Å; D195-Y199 VanDerWaalsContact O-N 3.09Å
196	P	81.5	Confident	89.2	Confident	63 Å²	63	40.6 Å²	40.6	41%	0.409	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-22.4	-178.1	-28.9	35.5	0	0	0	115.4	Q200	P196-Q200 VanDerWaalsContact CA-NE2 3.32Å; P196-Q200 PolarHBondContact O-NE2 3.19Å
197	N	82.4	Confident	89.2	Confident	105 Å²	105	42.2 Å²	42.2	56%	0.561	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-12.1	-180	-49.4	-68.7	0	0	0	114.3	K92 D195	K92-N197 WeakPolarHBondContact CE-O 2.97Å; K92-N197 PolarHBondContact NZ-O 3.31Å; D195-N197 PolarHBondContact O-N 3.32Å; D195-N197 WeakPolarHBondContact OD1-CA 3.33Å; D195-N197 WeakPolarHBondContact OD1-CB 3.42Å; D195-N197 PolarHBondContact OD1-N 3.23Å; D195-N197 PolarHBondContact OD1-ND2 2.88Å
198	E	84.6	Confident	89.2	Confident	55 Å²	55	43 Å²	43	26%	0.257	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-71.6	178.8	-59.9	-161.2	161.1	0	0	110.5	D195 K297	D195-E198 HydrophobicContact CB-CB 4.22Å; D195-E198 HydrophobicContact CB-CG 4.19Å; D195-E198 PolarHBondContact O-N 2.75Å; E198-K297 WeakPolarHBondContact OE1-CE 3.4Å; E198-K297 IonicContact OE1-NZ 2.67Å; E198-K297 PolarHBondContact OE1-NZ 3.01Å
199	Y	87.6	Confident	89	Confident	3 Å²	3	47 Å²	47	1%	0.012	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-149.8	154.3	176	72.5	-81.8	0	0	0	109.8	A88 H89 L190 R193 Q194 D195 M201 L298	A88-Y199 HydrophobicContact CB-CD2 4.16Å; H89-Y199 CarbonylContact O-C 3.08Å; H89-Y199 WeakPolarHBondContact O-CA 3.39Å; H89-Y199 WeakPolarHBondContact O-CB 3.48Å; L190-Y199 HydrophobicContact CD1-CE1 4.36Å; L190-Y199 HydrophobicContact CD1-CE2 3.67Å; L190-Y199 VanDerWaalsContact CD1-OH 3.25Å; L190-Y199 WeakPolarHBondContact CD1-OH 3.31Å; L190-Y199 HydrophobicContact CD2-CE2 4.38Å; L190-Y199 HydrophobicContact CG-CE2 3.7Å; L190-Y199 PolarHBondContact O-OH 2.97Å; R193-Y199 WeakPolarHBondContact CB-OH 3.44Å; R193-Y199 PolarHBondContact O-OH 3.28Å; Q194-Y199 HydrophobicContact CB-CD2 4.36Å; Q194-Y199 HydrophobicContact CB-CE2 3.81Å; Q194-Y199 PolarHBondContact N-OH 2.83Å; D195-Y199 CarbonylContact C-O 3.6Å; D195-Y199 PolarHBondContact N-O 3.33Å; D195-Y199 VanDerWaalsContact N-O 3.16Å; D195-Y199 CarbonylContact O-C 3.48Å; D195-Y199 PolarHBondContact O-N 2.93Å; D195-Y199 VanDerWaalsContact O-N 3.09Å; Y199-M201 HydrophobicContact CD2-SD 4.46Å; Y199-M201 HydrophobicContact CE2-SD 4.13Å; Y199-L298 HydrophobicContact CD1-CB 4.05Å; Y199-L298 HydrophobicContact CD1-CD2 4.35Å; Y199-L298 HydrophobicContact CD2-CD2 4.4Å; Y199-L298 HydrophobicContact CE1-CB 3.99Å; Y199-L298 HydrophobicContact CG-CD2 4.29Å
200	Q	88.5	Confident	89	Confident	11 Å²	11	42.1 Å²	42.1	5%	0.051	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	147.9	177.3	-65.1	165.4	22.8	0	0	108.9	H89 P91 P196	H89-Q200 PolarHBondContact N-O 2.9Å; H89-Q200 PolarHBondContact O-N 3.45Å; P91-Q200 HydrophobicContact CG-CG 4.42Å; P196-Q200 VanDerWaalsContact CA-NE2 3.32Å; P196-Q200 PolarHBondContact O-NE2 3.19Å
201	M	92.5	Very high	88.9	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	149.8	170.9	-57.7	-58.6	-63.2	0	0	108.7	I86 L87 A88 V100 L190 Q194 Y199 F365	I86-M201 HydrophobicContact CG2-CE 3.41Å; I86-M201 VanDerWaalsContact CG2-CE 3.41Å; L87-M201 CarbonylContact O-C 3.59Å; L87-M201 WeakPolarHBondContact O-CA 3.32Å; A88-M201 HydrophobicContact CB-SD 4.45Å; V100-M201 HydrophobicContact CG2-CE 4.26Å; L190-M201 HydrophobicContact CD2-CE 4.35Å; L190-M201 HydrophobicContact CD2-SD 3.92Å; L190-M201 HydrophobicContact CG-SD 4.01Å; Q194-M201 HydrophobicContact CB-CG 4.44Å; Y199-M201 HydrophobicContact CD2-SD 4.46Å; Y199-M201 HydrophobicContact CE2-SD 4.13Å; M201-F365 VanDerWaalsContact C-CE2 3.47Å; M201-F365 HydrophobicContact CB-CD2 3.51Å; M201-F365 HydrophobicContact CB-CE2 3.5Å; M201-F365 VanDerWaalsContact CB-CE2 3.5Å; M201-F365 WeakPolarHBondContact O-CD2 3.26Å
202	C	92.4	Very high	88.9	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	167.8	171.8	-57	0	0	0	0	108.6	L87 M362	L87-C202 PolarHBondContact N-O 2.93Å; L87-C202 PolarHBondContact O-N 3.43Å; C202-M362 HydrophobicContact CB-CG 3.57Å; C202-M362 HydrophobicContact CB-SD 4.18Å; C202-M362 VanDerWaalsContact SG-CG 3.51Å
203	Y	95.7	Very high	88.9	Confident	6 Å²	6	46.4 Å²	46.4	2%	0.024	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	157	172.9	70.4	-82.3	0	0	0	112	V30 T65 L84 E85 I363 F365	V30-Y203 HydrophobicContact CG1-CD1 3.64Å; V30-Y203 HydrophobicContact CG1-CE1 3.52Å; V30-Y203 HydrophobicContact CG1-CG 4.2Å; V30-Y203 HydrophobicContact CG2-CD1 4.27Å; V30-Y203 HydrophobicContact CG2-CD2 4.01Å; V30-Y203 HydrophobicContact CG2-CE2 4.31Å; V30-Y203 HydrophobicContact CG2-CG 3.99Å; T65-Y203 HydrophobicContact CG2-CE2 3.78Å; T65-Y203 PolarHBondContact OG1-OH 2.8Å; L84-Y203 HydrophobicContact CD1-CD2 3.7Å; L84-Y203 HydrophobicContact CD1-CG 4.26Å; E85-Y203 CarbonylContact O-C 3.51Å; E85-Y203 WeakPolarHBondContact O-CA 3.03Å; E85-Y203 WeakPolarHBondContact O-CB 3.39Å; Y203-I363 HydrophobicContact CE1-CB 4.16Å; Y203-I363 HydrophobicContact CE1-CG2 3.98Å; Y203-F365 AromaticContact CD1-CE1 3.91Å; Y203-F365 HydrophobicContact CD1-CE1 3.91Å; Y203-F365 HydrophobicContact CD1-CE2 4.4Å; Y203-F365 AromaticContact CD1-CZ 3.71Å; Y203-F365 HydrophobicContact CD1-CZ 3.71Å; Y203-F365 HydrophobicContact CE1-CE1 4.22Å; Y203-F365 HydrophobicContact CE1-CZ 4.47Å
204	T	93.4	Very high	89	Confident	36 Å²	36	44.4 Å²	44.4	22%	0.221	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	136	166.9	65.4	0	0	0	0	109.4	L84 E85 L87	L84-T204 CarbonylContact C-O 3.54Å; L84-T204 WeakPolarHBondContact CA-O 3.45Å; E85-T204 WeakPolarHBondContact CB-OG1 3.41Å; E85-T204 PolarHBondContact N-O 2.78Å; E85-T204 PolarHBondContact O-N 2.87Å; E85-T204 PolarHBondContact OE2-OG1 2.95Å; L87-T204 HydrophobicContact CD1-CG2 3.92Å
205	L	95.1	Very high	89.1	Confident	16 Å²	16	42.4 Å²	42.4	8%	0.084	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	142.1	175.1	-178.6	63.3	0	0	0	108.4	I26 I66 T69 L70 L84	I26-L205 HydrophobicContact CD1-CD1 3.77Å; I26-L205 HydrophobicContact CD1-CD2 3.98Å; I26-L205 HydrophobicContact CG1-CD1 4.39Å; I66-L205 HydrophobicContact CB-CD2 4.47Å; I66-L205 HydrophobicContact CG1-CD2 3.95Å; T69-L205 HydrophobicContact CG2-CB 4.15Å; T69-L205 HydrophobicContact CG2-CD2 4.31Å; T69-L205 HydrophobicContact CG2-CG 3.98Å; T69-L205 VanDerWaalsContact CG2-O 3.22Å; T69-L205 WeakPolarHBondContact CG2-O 3.48Å; L70-L205 HydrophobicContact CD1-CD2 3.96Å; L70-L205 HydrophobicContact CG-CD2 4.03Å; L70-L205 HydrophobicContact CG-CG 4.49Å; L84-L205 HydrophobicContact CB-CD1 4.36Å
206	R	91.6	Very high	89.3	Confident	56 Å²	56	40.1 Å²	40.1	21%	0.211	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	155.3	172.3	54.5	-177.9	157.2	57.6	19.8	112.3	S83 E85 G208 P209 S210	S83-R206 PolarHBondContact N-O 2.96Å; S83-R206 PolarHBondContact O-N 2.74Å; S83-R206 PolarHBondContact OG-NH1 3.3Å; E85-R206 IonicContact OE1-CZ 2.65Å; E85-R206 IonicContact OE1-NE 3.09Å; E85-R206 IonicContact OE1-NH2 2.97Å; E85-R206 PolarHBondContact OE1-NH2 3.45Å; R206-G208 PolarHBondContact NH1-O 3.42Å; R206-P209 PolarHBondContact NH1-O 3.18Å; R206-S210 VanDerWaalsContact CZ-CA 3.49Å; R206-S210 VanDerWaalsContact NH1-N 3.16Å; R206-S210 PolarHBondContact NH1-OG 2.9Å; R206-S210 VanDerWaalsContact NH2-CA 3.35Å; R206-S210 PolarHBondContact NH2-OG 3.25Å
207	R	91.4	Very high	89.3	Confident	71 Å²	71	40.9 Å²	40.9	27%	0.268	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	127	165	-164.8	169.7	-167.4	161.3	3.6	108.9	L70 P75 H77 D80 L82	L70-R207 HydrophobicContact CD2-CB 4.3Å; P75-R207 PolarHBondContact O-NH2 2.92Å; H77-R207 PolarHBondContact ND1-NH2 3.31Å; D80-R207 IonicContact OD1-CZ 2.68Å; D80-R207 IonicContact OD1-NE 2.99Å; D80-R207 PolarHBondContact OD1-NE 3.42Å; D80-R207 VanDerWaalsContact OD1-NE 3.09Å; D80-R207 IonicContact OD1-NH2 2.84Å; D80-R207 PolarHBondContact OD1-NH2 3.43Å; D80-R207 IonicContact OD2-CZ 3.18Å; D80-R207 IonicContact OD2-NE 2.73Å; D80-R207 IonicContact OD2-NH2 3.3Å; D80-R207 PolarHBondContact OD2-NH2 3.21Å; L82-R207 HydrophobicContact CD2-CB 4Å; L82-R207 HydrophobicContact CD2-CG 3.88Å
208	G	89.6	Confident	89.5	Confident	18 Å²	18	39.2 Å²	39.2	19%	0.186	23%	0.227	C	C	.	.	S	Bend	trans	112.3	179.3	-179.3	0	0	0	0	0	114.6	L81 S83 R206	L81-G208 PolarHBondContact O-N 3.01Å; S83-G208 WeakPolarHBondContact CB-O 3.4Å; S83-G208 PolarHBondContact OG-O 2.89Å; R206-G208 PolarHBondContact NH1-O 3.42Å
209	P	88.7	Confident	89.7	Confident	103 Å²	103	37.8 Å²	37.8	67%	0.669	22%	0.222	S	C	*	.			trans	-71.2	156.3	-175	30.2	-35.8	0	0	0	113	L81 R206	L81-P209 HydrophobicContact CD2-CB 3.93Å; R206-P209 PolarHBondContact NH1-O 3.18Å
210	S	88.6	Confident	89.9	Confident	15 Å²	15	41.5 Å²	41.5	11%	0.105	24%	0.238	C	C	.	.			trans	-103.9	146	177.8	-45.3	0	0	0	0	110.7	S83 V102 R206 L212	S83-S210 WeakPolarHBondContact CB-OG 3.24Å; S83-S210 PolarHBondContact OG-OG 2.92Å; S83-S210 VanDerWaalsContact OG-OG 3.07Å; V102-S210 VanDerWaalsContact CG1-CB 3.47Å; V102-S210 WeakPolarHBondContact CG1-OG 3.3Å; R206-S210 VanDerWaalsContact CZ-CA 3.49Å; R206-S210 VanDerWaalsContact NH1-N 3.16Å; R206-S210 PolarHBondContact NH1-OG 2.9Å; R206-S210 VanDerWaalsContact NH2-CA 3.35Å; R206-S210 PolarHBondContact NH2-OG 3.25Å; S210-L212 PolarHBondContact O-N 2.9Å
211	D	87.8	Confident	90.1	Very high	85 Å²	85	42.8 Å²	42.8	46%	0.455	25%	0.249	S	C	.	.			trans	-75.6	97.6	165	-177.7	10.5	0	0	0	110.1	S213 R214	D211-S213 PolarHBondContact O-N 3.17Å; D211-S213 VanDerWaalsContact OD1-CB 3.29Å; D211-S213 WeakPolarHBondContact OD1-CB 3.47Å; D211-S213 PolarHBondContact OD1-N 3.49Å; D211-S213 PolarHBondContact OD1-OG 2.83Å; D211-S213 PolarHBondContact OD2-OG 3.19Å; D211-S213 VanDerWaalsContact OD2-OG 3.13Å; D211-R214 HydrophobicContact CB-CG 4.33Å
212	L	90.4	Very high	90.1	Very high	14 Å²	14	47 Å²	47	7%	0.073	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-75.5	-12.6	-178.8	-64.1	175.6	0	0	0	112.7	V102 F120 S210 R214 L215 H285	V102-L212 HydrophobicContact CB-CD2 3.7Å; V102-L212 HydrophobicContact CG1-CD2 3.72Å; V102-L212 HydrophobicContact CG2-CD2 3.89Å; F120-L212 HydrophobicContact CD2-CD1 4.08Å; F120-L212 HydrophobicContact CE1-CB 3.55Å; F120-L212 HydrophobicContact CE1-CD1 4.2Å; F120-L212 HydrophobicContact CE1-CG 4.5Å; F120-L212 HydrophobicContact CE2-CB 4.09Å; F120-L212 HydrophobicContact CE2-CD1 3.1Å; F120-L212 HydrophobicContact CE2-CG 4.18Å; F120-L212 HydrophobicContact CZ-CB 3.24Å; F120-L212 HydrophobicContact CZ-CD1 3.2Å; F120-L212 HydrophobicContact CZ-CG 3.79Å; S210-L212 PolarHBondContact O-N 2.9Å; L212-R214 PolarHBondContact O-N 2.9Å; L212-L215 HydrophobicContact CD2-CD1 3.92Å; L212-L215 WeakPolarHBondContact O-CB 3.23Å; L212-L215 PolarHBondContact O-N 3.38Å; L212-H285 HydrophobicContact CD2-CB 3.89Å
213	S	88.7	Confident	90.1	Very high	83 Å²	83	49.4 Å²	49.4	58%	0.58	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-64.1	-23.3	174.5	73	0	0	0	0	112.4	D211 L215 G216	D211-S213 PolarHBondContact O-N 3.17Å; D211-S213 VanDerWaalsContact OD1-CB 3.29Å; D211-S213 WeakPolarHBondContact OD1-CB 3.47Å; D211-S213 PolarHBondContact OD1-N 3.49Å; D211-S213 PolarHBondContact OD1-OG 2.83Å; D211-S213 PolarHBondContact OD2-OG 3.19Å; D211-S213 VanDerWaalsContact OD2-OG 3.13Å; S213-L215 PolarHBondContact O-N 2.82Å; S213-G216 PolarHBondContact O-N 3.26Å
214	R	89.5	Confident	90.1	Very high	87 Å²	87	49.8 Å²	49.8	33%	0.328	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-68	-13.5	176.9	-63.4	169.6	63.3	-144.7	-0.5	113.7	E85 V99 D211 L212 G216 R287	E85-R214 IonicContact OE1-NH1 2.92Å; E85-R214 PolarHBondContact OE1-NH1 2.92Å; E85-R214 IonicContact OE2-CZ 3.91Å; E85-R214 IonicContact OE2-NH1 3.28Å; E85-R214 PolarHBondContact OE2-NH1 3.28Å; E85-R214 IonicContact OE2-NH2 2.65Å; V99-R214 HydrophobicContact CB-CB 4.12Å; V99-R214 HydrophobicContact CG2-CB 3.68Å; D211-R214 HydrophobicContact CB-CG 4.33Å; L212-R214 PolarHBondContact O-N 2.9Å; R214-G216 PolarHBondContact O-N 3.43Å; R214-R287 PolarHBondContact O-NH2 2.65Å
215	L	90.2	Very high	90	Very high	1 Å²	1	49 Å²	49	1%	0.005	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-76.8	-5.6	176.2	-69.8	168.3	0	0	0	113.5	V99 V100 V102 L212 S213 P219 H285 R287	V99-L215 HydrophobicContact CB-CD2 4.3Å; V99-L215 HydrophobicContact CG1-CD2 3.69Å; V99-L215 HydrophobicContact CG1-CG 4.29Å; V100-L215 WeakPolarHBondContact O-CD2 3.38Å; V102-L215 HydrophobicContact CB-CD1 4.47Å; V102-L215 HydrophobicContact CG2-CD1 4.12Å; V102-L215 HydrophobicContact CG2-CD2 4.25Å; V102-L215 HydrophobicContact CG2-CG 4.27Å; L212-L215 HydrophobicContact CD2-CD1 3.92Å; L212-L215 WeakPolarHBondContact O-CB 3.23Å; L212-L215 PolarHBondContact O-N 3.38Å; S213-L215 PolarHBondContact O-N 2.82Å; L215-P219 HydrophobicContact CB-CB 3.73Å; L215-P219 HydrophobicContact CD1-CB 4.12Å; L215-H285 HydrophobicContact CD1-CB 3.51Å; L215-R287 VanDerWaalsContact C-NH2 3.35Å; L215-R287 HydrophobicContact CD2-CB 4.49Å; L215-R287 WeakPolarHBondContact O-CB 3.45Å; L215-R287 VanDerWaalsContact O-CG 3.29Å; L215-R287 WeakPolarHBondContact O-CG 3.25Å; L215-R287 VanDerWaalsContact O-CZ 3.26Å; L215-R287 PolarHBondContact O-NE 2.78Å; L215-R287 VanDerWaalsContact O-NE 3.14Å
216	G	85.2	Confident	89.9	Confident	15 Å²	15	51.7 Å²	51.7	16%	0.155	29%	0.287	C	S	.	.			trans	103.9	-167.4	178.2	0	0	0	0	0	112.9	S213 R214 P219	S213-G216 PolarHBondContact O-N 3.26Å; R214-G216 PolarHBondContact O-N 3.43Å; G216-P219 WeakPolarHBondContact O-CD 3.33Å
217	A	80.8	Confident	89.9	Confident	78 Å²	78	50 Å²	50	65%	0.645	28%	0.282	S	S	*	.	S	Bend	trans	-75.2	-30.4	-172.9	0	0	0	0	0	114.1	P219	A217-P219 VanDerWaalsContact C-CD 3.44Å
218	T	86.8	Confident	89.9	Confident	71 Å²	71	47.9 Å²	47.9	44%	0.436	28%	0.275	S	S	.	.	S	Bend	trans	-129.1	52	-172.7	64	0	0	0	0	113.5	K220 T288 E289	T218-K220 PolarHBondContact O-N 2.75Å; T218-T288 WeakPolarHBondContact O-CG2 3.19Å; T218-T288 PolarHBondContact O-OG1 2.65Å; T218-T288 PolarHBondContact OG1-OG1 3.28Å; T218-E289 WeakPolarHBondContact CG2-OE1 3.37Å; T218-E289 PolarHBondContact OG1-OE1 2.92Å
219	P	89.6	Confident	90	Very high	24 Å²	24	47 Å²	47	16%	0.156	27%	0.266	C	S	.	.			trans	-62.4	138.5	-179.7	29.3	-35.2	0	0	0	110.9	F120 L215 G216 A217 Y286	F120-P219 HydrophobicContact CD1-CG 3.88Å; F120-P219 HydrophobicContact CE1-CG 4.5Å; L215-P219 HydrophobicContact CB-CB 3.73Å; L215-P219 HydrophobicContact CD1-CB 4.12Å; G216-P219 WeakPolarHBondContact O-CD 3.33Å; A217-P219 VanDerWaalsContact C-CD 3.44Å; P219-Y286 WeakPolarHBondContact CA-O 3.22Å
220	K	91.5	Very high	89.9	Confident	82 Å²	82	42.1 Å²	42.1	36%	0.357	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	150.2	171.3	-81.5	-179	-173.8	-177.3	0	110.1	T218 H285 Y286 T288	T218-K220 PolarHBondContact O-N 2.75Å; K220-H285 CarbonylContact O-C 3.5Å; K220-H285 VanDerWaalsContact O-CA 3.31Å; K220-H285 WeakPolarHBondContact O-CA 3.34Å; K220-Y286 HydrophobicContact CB-CD1 4.24Å; K220-Y286 HydrophobicContact CB-CD2 4.42Å; K220-Y286 HydrophobicContact CB-CE1 3.6Å; K220-Y286 HydrophobicContact CB-CE2 3.84Å; K220-Y286 HydrophobicContact CD-CE2 4.4Å; K220-Y286 PolarHBondContact N-O 2.97Å; K220-Y286 WeakPolarHBondContact O-CD1 3.47Å; K220-Y286 PolarHBondContact O-N 2.97Å; K220-T288 HydrophobicContact CB-CG2 3.82Å; K220-T288 HydrophobicContact CD-CG2 3.5Å; K220-T288 VanDerWaalsContact CD-CG2 3.5Å; K220-T288 HydrophobicContact CG-CG2 3.46Å; K220-T288 VanDerWaalsContact CG-CG2 3.46Å
221	S	92.5	Very high	90	Very high	38 Å²	38	41.6 Å²	41.6	27%	0.266	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	136.6	178.4	-53.2	0	0	0	0	109.5	V284 H285	S221-V284 CarbonylContact C-O 3.55Å; S221-V284 WeakPolarHBondContact CA-O 2.91Å; S221-H285 WeakPolarHBondContact CB-ND1 3.18Å; S221-H285 PolarHBondContact OG-ND1 2.81Å
222	Y	92.3	Very high	90.1	Very high	88 Å²	88	37.5 Å²	37.5	35%	0.345	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	121.5	178.8	-176.7	-97.7	0	0	0	110.1	V181 V224 T283 V284	V181-Y222 HydrophobicContact CG1-CD1 4.04Å; V181-Y222 HydrophobicContact CG1-CE1 4.23Å; V181-Y222 HydrophobicContact CG2-CD1 4.21Å; V181-Y222 HydrophobicContact CG2-CE1 3.57Å; Y222-V224 HydrophobicContact CD1-CG2 3.96Å; Y222-V224 HydrophobicContact CE1-CG2 4.26Å; Y222-V224 PolarHBondContact O-N 2.76Å; Y222-T283 WeakPolarHBondContact O-CA 3.42Å; Y222-V284 HydrophobicContact CD1-CG1 4.31Å; Y222-V284 PolarHBondContact N-O 3.46Å; Y222-V284 PolarHBondContact O-N 3.5Å
223	Q	93.5	Very high	90	Very high	51 Å²	51	37.6 Å²	37.6	24%	0.238	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	106.1	174.2	-176.9	75.6	69.4	0	0	108.4	G225 R226 T282 T283	Q223-G225 PolarHBondContact NE2-O 3.28Å; Q223-R226 VanDerWaalsContact CD-NE 3.32Å; Q223-R226 HydrophobicContact CG-CG 4.29Å; Q223-T282 PolarHBondContact NE2-O 2.87Å; Q223-T283 VanDerWaalsContact CD-OG1 3.3Å; Q223-T283 PolarHBondContact NE2-OG1 2.93Å; Q223-T283 PolarHBondContact OE1-OG1 3.27Å
224	V	94.5	Very high	89.9	Confident	14 Å²	14	36 Å²	36	9%	0.085	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	-39.6	-177.7	-177.7	0	0	0	0	111.3	W103 L174 I178 V181 Y222 T282 V284	W103-V224 HydrophobicContact CH2-CG2 4.46Å; W103-V224 HydrophobicContact CZ3-CG2 3.87Å; L174-V224 HydrophobicContact CD1-CG1 4.1Å; I178-V224 HydrophobicContact CG1-CG1 3.77Å; V181-V224 HydrophobicContact CG1-CG2 4.18Å; V181-V224 HydrophobicContact CG2-CG1 4.15Å; V181-V224 HydrophobicContact CG2-CG2 4.41Å; Y222-V224 HydrophobicContact CD1-CG2 3.96Å; Y222-V224 HydrophobicContact CE1-CG2 4.26Å; Y222-V224 PolarHBondContact O-N 2.76Å; V224-T282 HydrophobicContact CB-CG2 4.1Å; V224-T282 WeakPolarHBondContact CB-O 3.45Å; V224-T282 HydrophobicContact CG2-CG2 4.27Å; V224-T282 PolarHBondContact N-O 3.27Å; V224-V284 HydrophobicContact CG2-CG1 4.2Å
225	G	92.4	Very high	89.3	Confident	18 Å²	18	35.4 Å²	35.4	19%	0.186	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.1	170.4	172.6	0	0	0	0	0	112.8	Q223 T282	Q223-G225 PolarHBondContact NE2-O 3.28Å; G225-T282 PolarHBondContact N-O 3.14Å; G225-T282 PolarHBondContact O-N 2.86Å
226	R	93	Very high	88.4	Confident	74 Å²	74	37.4 Å²	37.4	28%	0.279	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	131.1	176.3	-64.5	-177.3	-178.5	168.9	-0.1	109.4	M110 N114 Q223 L280	M110-R226 PolarHBondContact SD-NH1 2.82Å; M110-R226 VanDerWaalsContact SD-NH1 3.35Å; N114-R226 PolarHBondContact OD1-NH1 3.21Å; N114-R226 PolarHBondContact OD1-NH2 3.14Å; N114-R226 VanDerWaalsContact OD1-NH2 3.11Å; Q223-R226 VanDerWaalsContact CD-NE 3.32Å; Q223-R226 HydrophobicContact CG-CG 4.29Å; R226-L280 CarbonylContact C-O 3.55Å; R226-L280 VanDerWaalsContact CA-O 3.3Å; R226-L280 WeakPolarHBondContact CA-O 3.49Å
227	I	91.9	Very high	87.3	Confident	19 Å²	19	41.7 Å²	41.7	10%	0.097	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	133.8	-179.4	-69.1	172.8	0	0	0	108.9	L167 K170 L171 L174 S229 Y279 L280	L167-I227 HydrophobicContact CD1-CG2 3.85Å; K170-I227 VanDerWaalsContact C-CD1 3.4Å; K170-I227 HydrophobicContact CB-CD1 3.86Å; K170-I227 HydrophobicContact CB-CG1 4.35Å; K170-I227 HydrophobicContact CB-CG2 4.04Å; K170-I227 HydrophobicContact CD-CG2 4.37Å; K170-I227 WeakPolarHBondContact O-CD1 3.49Å; L171-I227 HydrophobicContact CD2-CD1 4.22Å; L174-I227 HydrophobicContact CB-CD1 3.49Å; L174-I227 VanDerWaalsContact CB-CD1 3.49Å; L174-I227 HydrophobicContact CD2-CD1 3.67Å; L174-I227 HydrophobicContact CD2-CG1 4.23Å; L174-I227 HydrophobicContact CG-CD1 4.18Å; I227-S229 PolarHBondContact O-N 3.44Å; I227-Y279 CarbonylContact O-C 3.53Å; I227-Y279 VanDerWaalsContact O-CA 3.23Å; I227-Y279 WeakPolarHBondContact O-CA 3.17Å; I227-L280 PolarHBondContact N-O 3.42Å; I227-L280 PolarHBondContact O-N 3.5Å
228	F	91.3	Very high	86.3	Confident	28 Å²	28	46.3 Å²	46.3	12%	0.123	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	120.4	168	174.4	-120.3	0	0	0	109.4	V159 L165 L167 G230 L231 L269 I271 P277 V278 Y279	V159-F228 HydrophobicContact CB-CZ 4.2Å; V159-F228 HydrophobicContact CG2-CZ 4.06Å; L165-F228 HydrophobicContact CD1-CE1 4.28Å; L165-F228 HydrophobicContact CD2-CD1 4.26Å; L165-F228 HydrophobicContact CD2-CE1 3.96Å; L167-F228 WeakPolarHBondContact CD1-O 3.48Å; F228-G230 VanDerWaalsContact C-N 3.27Å; F228-G230 PolarHBondContact O-N 2.98Å; F228-L231 VanDerWaalsContact CE2-O 3.3Å; F228-L231 WeakPolarHBondContact CE2-O 3.27Å; F228-L269 HydrophobicContact CD1-CD1 4.08Å; F228-L269 HydrophobicContact CE1-CD1 4.18Å; F228-L269 HydrophobicContact CE1-CD2 4.37Å; F228-I271 HydrophobicContact CE2-CD1 4.3Å; F228-I271 HydrophobicContact CZ-CD1 4.2Å; F228-P277 HydrophobicContact CD2-CB 3.75Å; F228-P277 HydrophobicContact CE2-CB 3.5Å; F228-P277 VanDerWaalsContact CE2-CB 3.5Å; F228-V278 WeakPolarHBondContact CD2-O 3.42Å; F228-Y279 HydrophobicContact CB-CD1 4.05Å; F228-Y279 HydrophobicContact CB-CE1 3.85Å; F228-Y279 HydrophobicContact CD2-CE1 4.42Å
229	S	90.1	Very high	84.9	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	-15	-171.4	63.8	0	0	0	0	114.1	I14 L167 I227 L231 V278	I14-S229 WeakPolarHBondContact CG2-O 3.45Å; L167-S229 VanDerWaalsContact CD2-O 3.31Å; L167-S229 WeakPolarHBondContact CD2-O 3.46Å; I227-S229 PolarHBondContact O-N 3.44Å; S229-L231 VanDerWaalsContact C-N 3.28Å; S229-L231 WeakPolarHBondContact OG-CB 3.34Å; S229-L231 PolarHBondContact OG-N 3.27Å; S229-L231 VanDerWaalsContact OG-N 3.17Å; S229-V278 WeakPolarHBondContact CB-O 3.21Å; S229-V278 PolarHBondContact N-O 3.19Å; S229-V278 PolarHBondContact OG-O 3.45Å
230	G	88	Confident	83.3	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	87.8	-6.2	-167.1	0	0	0	0	0	114.1	V159 F228	V159-G230 PolarHBondContact N-O 2.91Å; F228-G230 VanDerWaalsContact C-N 3.27Å; F228-G230 PolarHBondContact O-N 2.98Å
231	L	89.8	Confident	81.2	Confident	3 Å²	3	51.7 Å²	51.7	2%	0.016	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	150	175.6	-54.7	174.7	0	0	0	111.2	K11 I14 L18 L107 Y157 F228 S229 V278	K11-L231 HydrophobicContact CG-CD2 4.17Å; I14-L231 HydrophobicContact CB-CD2 4.33Å; I14-L231 HydrophobicContact CD1-CD2 3.98Å; I14-L231 HydrophobicContact CG2-CD1 4.24Å; I14-L231 HydrophobicContact CG2-CD2 3.98Å; I14-L231 HydrophobicContact CG2-CG 3.88Å; L18-L231 HydrophobicContact CD1-CD1 4.44Å; L107-L231 HydrophobicContact CD2-CD1 4.18Å; Y157-L231 CarbonylContact O-C 3.56Å; Y157-L231 WeakPolarHBondContact O-CA 2.83Å; F228-L231 VanDerWaalsContact CE2-O 3.3Å; F228-L231 WeakPolarHBondContact CE2-O 3.27Å; S229-L231 VanDerWaalsContact C-N 3.28Å; S229-L231 WeakPolarHBondContact OG-CB 3.34Å; S229-L231 PolarHBondContact OG-N 3.27Å; S229-L231 VanDerWaalsContact OG-N 3.17Å; L231-V278 HydrophobicContact CB-CB 4.11Å; L231-V278 HydrophobicContact CB-CG2 4.39Å; L231-V278 WeakPolarHBondContact O-CB 3.39Å; L231-V278 PolarHBondContact O-N 2.86Å
232	A	89.7	Confident	79.2	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	154.9	166.7	0	0	0	0	0	111.3	E156 Y157 V159 L275 L276	E156-A232 WeakPolarHBondContact CA-O 3.2Å; Y157-A232 PolarHBondContact N-O 3.41Å; Y157-A232 PolarHBondContact O-N 3.41Å; V159-A232 HydrophobicContact CG2-CB 3.31Å; A232-L275 HydrophobicContact CB-CB 3.99Å; A232-L275 HydrophobicContact CB-CD1 4.48Å; A232-L276 CarbonylContact C-O 3.56Å; A232-L276 WeakPolarHBondContact CA-O 2.99Å; A232-L276 VanDerWaalsContact CB-O 3.3Å; A232-L276 WeakPolarHBondContact CB-O 3.07Å
233	I	89.4	Confident	77.2	Confident	16 Å²	16	56.6 Å²	56.6	8%	0.082	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	150.8	176	60.9	173.1	0	0	0	110.1	V78 I109 E156 Q235 L275 L276 V278	V78-I233 HydrophobicContact CB-CG2 4.41Å; V78-I233 HydrophobicContact CG1-CD1 4.45Å; V78-I233 HydrophobicContact CG1-CG2 4.18Å; V78-I233 HydrophobicContact CG2-CG2 4.04Å; I109-I233 HydrophobicContact CG2-CD1 3.57Å; I109-I233 HydrophobicContact CG2-CG1 3.88Å; E156-I233 HydrophobicContact CG-CG2 4.11Å; I233-Q235 PolarHBondContact O-N 3.13Å; I233-L275 CarbonylContact O-C 3.55Å; I233-L275 WeakPolarHBondContact O-CA 3.39Å; I233-L276 HydrophobicContact CG1-CB 4.09Å; I233-L276 PolarHBondContact N-O 3.49Å; I233-L276 PolarHBondContact O-N 2.86Å; I233-V278 HydrophobicContact CG1-CG2 4.4Å; I233-V278 HydrophobicContact CG2-CG2 3.92Å
234	P	85.3	Confident	74.7	Confident	49 Å²	49	58 Å²	58	32%	0.318	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	135	169.7	-22.6	32.7	0	0	0	110.5	T155 Y157 S236 G274 L275	T155-P234 WeakPolarHBondContact O-CD 3.32Å; Y157-P234 HydrophobicContact CD2-CG 4.45Å; Y157-P234 HydrophobicContact CE2-CG 3.67Å; P234-S236 PolarHBondContact O-N 3.38Å; P234-G274 WeakPolarHBondContact CA-O 3.33Å; P234-L275 HydrophobicContact CG-CD2 4.36Å
235	Q	77.2	Confident	72	Confident	75 Å²	75	63.7 Å²	63.7	35%	0.35	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-64.3	126.6	171	-18.2	-168.2	-89.9	0	0	108	I233 G274 L276	I233-Q235 PolarHBondContact O-N 3.13Å; Q235-G274 WeakPolarHBondContact CG-O 3.49Å; Q235-G274 PolarHBondContact N-O 3.21Å; Q235-L276 HydrophobicContact CB-CD1 4.04Å; Q235-L276 HydrophobicContact CB-CG 4.05Å; Q235-L276 HydrophobicContact CG-CD1 4.4Å; Q235-L276 HydrophobicContact CG-CD2 4.4Å; Q235-L276 HydrophobicContact CG-CG 3.84Å
236	S	70.9	Confident	69.3	Low	43 Å²	43	66.9 Å²	66.9	30%	0.301	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-80.4	154.8	174.8	66.1	0	0	0	0	110.4	P234 K238 E239 E240	P234-S236 PolarHBondContact O-N 3.38Å; S236-K238 PolarHBondContact O-N 3.42Å; S236-E239 PolarHBondContact N-OE2 3.4Å; S236-E239 PolarHBondContact O-N 3.23Å; S236-E239 VanDerWaalsContact OG-CD 3.27Å; S236-E239 PolarHBondContact OG-OE2 2.86Å; S236-E240 PolarHBondContact O-N 3.47Å
237	P	62	Low	66.5	Low	105 Å²	105	69.6 Å²	69.6	68%	0.682	40%	0.395	S	S	*	.	H	α-helix	trans	-57.2	-21.1	175.7	-23.8	32.3	0	0	0	113.9
238	K	60	Low	63.6	Low	174 Å²	174	74.4 Å²	74.4	76%	0.757	43%	0.431	S	S	*	.	H	α-helix	trans	-75.4	-29.9	175.6	-75.6	-174.1	176.7	-179.6	0	112.9	S236	S236-K238 PolarHBondContact O-N 3.42Å
239	E	59.2	Low	61.1	Low	20 Å²	20	78.3 Å²	78.3	9%	0.093	46%	0.462	C	S	.	.	H	α-helix	trans	-79.2	-34.6	178.2	-72.8	155.2	166	0	0	110.8	I109 S236 Q241 M242 S243 L276	I109-E239 HydrophobicContact CD1-CG 4.39Å; I109-E239 WeakPolarHBondContact CD1-OE1 3.4Å; S236-E239 PolarHBondContact N-OE2 3.4Å; S236-E239 PolarHBondContact O-N 3.23Å; S236-E239 VanDerWaalsContact OG-CD 3.27Å; S236-E239 PolarHBondContact OG-OE2 2.86Å; E239-Q241 VanDerWaalsContact C-N 3.26Å; E239-Q241 PolarHBondContact O-N 2.89Å; E239-M242 PolarHBondContact O-N 2.94Å; E239-S243 PolarHBondContact O-N 2.84Å; E239-S243 VanDerWaalsContact O-N 3.12Å; E239-S243 PolarHBondContact O-OG 3.01Å; E239-L276 HydrophobicContact CB-CD1 4.18Å; E239-L276 HydrophobicContact CG-CD1 4.21Å; E239-L276 VanDerWaalsContact OE2-CD1 3.31Å; E239-L276 WeakPolarHBondContact OE2-CD1 3.3Å
240	E	54.1	Low	58.5	Low	118 Å²	118	83.3 Å²	83.3	55%	0.551	50%	0.496	S	S	*	.	H	α-helix	trans	-54.6	-40.4	172.6	-75.2	-176.4	159.7	0	0	112.5	S236 M242 S243 S244	S236-E240 PolarHBondContact O-N 3.47Å; E240-M242 VanDerWaalsContact C-N 3.33Å; E240-M242 PolarHBondContact O-N 3.37Å; E240-S243 PolarHBondContact O-N 3.43Å; E240-S244 VanDerWaalsContact O-CB 3.26Å; E240-S244 WeakPolarHBondContact O-CB 3.43Å; E240-S244 PolarHBondContact O-N 2.97Å; E240-S244 PolarHBondContact O-OG 3.17Å; E240-S244 VanDerWaalsContact O-OG 3.06Å
241	Q	48.4	Very low	55.9	Low	153 Å²	153	89.3 Å²	89.3	72%	0.715	54%	0.538	S	S	*	.	H	α-helix	trans	-67.9	-28.1	178.3	-104.7	-179.4	10.3	0	0	114	E239 S244	E239-Q241 VanDerWaalsContact C-N 3.26Å; E239-Q241 PolarHBondContact O-N 2.89Å; Q241-S244 PolarHBondContact O-OG 3.01Å
242	M	50.7	Low	53.2	Low	151 Å²	151	92.8 Å²	92.8	74%	0.744	58%	0.575	S	S	*	*	H	α-helix	trans	-80.7	-32.2	177.1	-74.3	-178.4	130.4	0	0	111.6	E239 E240	E239-M242 PolarHBondContact O-N 2.94Å; E240-M242 VanDerWaalsContact C-N 3.33Å; E240-M242 PolarHBondContact O-N 3.37Å
243	S	50.5	Low	50.4	Low	78 Å²	78	98.3 Å²	98.3	55%	0.545	61%	0.614	S	S	.	*	H	α-helix	trans	-78.7	-20.1	174.7	-43.4	0	0	0	0	113.1	E239 E240 T245	E239-S243 PolarHBondContact O-N 2.84Å; E239-S243 VanDerWaalsContact O-N 3.12Å; E239-S243 PolarHBondContact O-OG 3.01Å; E240-S243 PolarHBondContact O-N 3.43Å; S243-T245 PolarHBondContact O-N 3.41Å
244	S	41.5	Very low	47.7	Very low	81 Å²	81	104.2 Å²	104.2	57%	0.566	65%	0.651	S	S	*	*			trans	-97.7	62.5	-177.4	72.7	0	0	0	0	113.6	E240 Q241	E240-S244 VanDerWaalsContact O-CB 3.26Å; E240-S244 WeakPolarHBondContact O-CB 3.43Å; E240-S244 PolarHBondContact O-N 2.97Å; E240-S244 PolarHBondContact O-OG 3.17Å; E240-S244 VanDerWaalsContact O-OG 3.06Å; Q241-S244 PolarHBondContact O-OG 3.01Å
245	T	37.1	Very low	45	Very low	133 Å²	133	107.2 Å²	107.2	82%	0.816	67%	0.67	S	S	*	*			trans	-110	71.9	164.6	-39.8	0	0	0	0	109.5	S243	S243-T245 PolarHBondContact O-N 3.41Å
246	A	35.1	Very low	42.7	Very low	85 Å²	85	111 Å²	111	70%	0.702	69%	0.692	S	S	*	*	S	Bend	trans	-136.2	138.8	166.4	0	0	0	0	0	108.9
247	P	34.6	Very low	40.8	Very low	130 Å²	130	116.6 Å²	116.6	84%	0.844	72%	0.718	S	S	*	*			trans	-73.3	140.6	-167.1	29.7	-32.9	0	0	0	111.9
248	S	30.5	Very low	39.5	Very low	121 Å²	121	119.9 Å²	119.9	85%	0.846	72%	0.724	S	S	*	*			trans	-61.7	127	178.5	52.4	0	0	0	0	113.6
249	S	39.3	Very low	38.3	Very low	110 Å²	110	119.9 Å²	119.9	77%	0.769	72%	0.724	S	S	*	*			trans	-153.4	105.1	149.9	51.6	0	0	0	0	112.6
250	S	35.4	Very low	37.3	Very low	104 Å²	104	123.4 Å²	123.4	73%	0.727	74%	0.743	S	S	*	*			trans	36.8	124.1	143.2	60	0	0	0	0	123.1
251	S	33.6	Very low	36.8	Very low	126 Å²	126	121.7 Å²	121.7	88%	0.881	74%	0.741	S	S	*	*			trans	83.7	127.4	131.7	72.7	0	0	0	0	120
252	G	32.9	Very low	36.3	Very low	76 Å²	76	122.1 Å²	122.1	78%	0.784	74%	0.74	S	S	*	*			trans	140.8	88.5	160.5	0	0	0	0	0	114.4
253	S	30.2	Very low	36.1	Very low	117 Å²	117	117.4 Å²	117.4	82%	0.818	72%	0.718	S	S	*	*			trans	-58.7	126.8	173.2	50.1	0	0	0	0	114.1
254	T	32.9	Very low	35.6	Very low	140 Å²	140	116.4 Å²	116.4	86%	0.859	72%	0.72	S	S	*	*			trans	-155	150.5	148.2	39.5	0	0	0	0	110.8
255	P	30	Very low	35.3	Very low	112 Å²	112	117 Å²	117	73%	0.727	72%	0.724	S	S	*	*			trans	-88.6	139.1	-167.5	34.2	-31.3	0	0	0	113.3
256	I	28.7	Very low	35.5	Very low	155 Å²	155	116.8 Å²	116.8	80%	0.795	72%	0.718	S	S	*	*			trans	47	89.6	144	-46.2	171	0	0	0	116.1
257	D	29.7	Very low	36.1	Very low	160 Å²	160	116.3 Å²	116.3	86%	0.856	71%	0.707	S	S	*	*			trans	-124.7	123.1	150	-94.2	-32.6	0	0	0	108	K259	D257-K259 PolarHBondContact O-N 2.88Å
258	Q	34.9	Very low	36.6	Very low	173 Å²	173	113.1 Å²	113.1	81%	0.808	70%	0.698	S	S	*	*			trans	-67	100.8	176	-68.9	175.5	-7	0	0	108.5	L260	Q258-L260 PolarHBondContact O-N 2.8Å; Q258-L260 VanDerWaalsContact O-N 3.16Å
259	K	36	Very low	37.9	Very low	174 Å²	174	108.2 Å²	108.2	76%	0.757	66%	0.662	S	S	*	*			trans	-92.7	72.6	-170.8	-167.6	-167.3	176	-169.2	0	111	D257 T261 D273	D257-K259 PolarHBondContact O-N 2.88Å; K259-T261 PolarHBondContact O-N 2.66Å; K259-T261 VanDerWaalsContact O-N 3.08Å; K259-D273 WeakPolarHBondContact CA-OD2 3.32Å; K259-D273 PolarHBondContact N-OD2 3.25Å; K259-D273 VanDerWaalsContact O-CG 3.28Å
260	L	37.6	Very low	38.9	Very low	95 Å²	95	108 Å²	108	50%	0.497	65%	0.651	S	S	.	*			trans	-25.6	107.7	167.4	-119.2	74.3	0	0	0	113.3	Q258 K262 I270 D273	Q258-L260 PolarHBondContact O-N 2.8Å; Q258-L260 VanDerWaalsContact O-N 3.16Å; L260-K262 PolarHBondContact O-N 3.42Å; L260-K262 VanDerWaalsContact O-N 3.09Å; L260-I270 HydrophobicContact CD1-CG2 4.08Å; L260-I270 HydrophobicContact CD2-CB 4.2Å; L260-I270 HydrophobicContact CD2-CD1 3.75Å; L260-I270 HydrophobicContact CD2-CG1 3.91Å; L260-I270 HydrophobicContact CD2-CG2 3.25Å; L260-I270 HydrophobicContact CG-CG2 3.47Å; L260-I270 VanDerWaalsContact CG-CG2 3.47Å; L260-D273 PolarHBondContact N-OD2 3.3Å
261	T	42.4	Very low	40.5	Very low	82 Å²	82	103.2 Å²	103.2	50%	0.503	62%	0.617	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-78.4	95.9	175.4	9.2	0	0	0	0	110.2	K259 L263 D273	K259-T261 PolarHBondContact O-N 2.66Å; K259-T261 VanDerWaalsContact O-N 3.08Å; T261-L263 PolarHBondContact O-N 2.84Å; T261-D273 PolarHBondContact N-OD1 3.19Å; T261-D273 PolarHBondContact OG1-OD1 3.11Å
262	K	39.1	Very low	42.2	Very low	161 Å²	161	98.9 Å²	98.9	70%	0.7	59%	0.589	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-66.1	101.8	171.1	-168.5	176.9	-176.7	-177.6	0	108.8	L260	L260-K262 PolarHBondContact O-N 3.42Å; L260-K262 VanDerWaalsContact O-N 3.09Å
263	L	46.6	Very low	43.9	Very low	52 Å²	52	98.3 Å²	98.3	27%	0.272	57%	0.568	S	S	.	*			trans	-62.9	148.8	166	-103	97.4	0	0	0	109.4	T261 I271 P277 Y279	T261-L263 PolarHBondContact O-N 2.84Å; L263-I271 HydrophobicContact CD1-CD1 3.98Å; L263-I271 HydrophobicContact CD1-CG1 4.33Å; L263-P277 HydrophobicContact CD1-CG 3.86Å; L263-P277 HydrophobicContact CD2-CB 4.43Å; L263-P277 HydrophobicContact CD2-CG 3.61Å; L263-P277 HydrophobicContact CG-CG 4.39Å; L263-Y279 WeakPolarHBondContact CD2-OH 3.35Å
264	G	39.4	Very low	46.1	Very low	58 Å²	58	94.4 Å²	94.4	60%	0.598	55%	0.546	S	S	*	.	S	Bend	trans	-23.3	135.4	-170	0	0	0	0	0	116.2	D266 T267	G264-D266 PolarHBondContact O-N 2.79Å; G264-T267 PolarHBondContact O-N 3.09Å
265	S	35.5	Very low	48.6	Very low	93 Å²	93	88.9 Å²	88.9	65%	0.65	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-41.5	-13.1	-164.4	50.3	0	0	0	0	118.9
266	D	41.2	Very low	51.3	Low	128 Å²	128	84.6 Å²	84.6	68%	0.684	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	-4.6	-161.4	-55.4	-12.8	0	0	0	113.5	G264	G264-D266 PolarHBondContact O-N 2.79Å
267	T	47.3	Very low	54.2	Low	75 Å²	75	77.9 Å²	77.9	46%	0.46	45%	0.449	S	S	.	.	S	Bend	trans	-112	-9.2	-178.1	59.1	0	0	0	0	115.5	G264 L269	G264-T267 PolarHBondContact O-N 3.09Å; T267-L269 PolarHBondContact O-N 3.33Å
268	G	46	Very low	57.2	Low	64 Å²	64	70.2 Å²	70.2	66%	0.66	41%	0.408	S	S	*	.			trans	59.6	4.6	-179.7	0	0	0	0	0	115
269	L	57.6	Low	60	Low	17 Å²	17	63.5 Å²	63.5	9%	0.089	38%	0.375	C	S	.	.			trans	-83.3	122.5	-171.1	-93.9	146.4	0	0	0	110.8	D160 L165 F228 T267	D160-L269 HydrophobicContact CB-CD2 4.16Å; L165-L269 HydrophobicContact CD2-CD1 3.35Å; L165-L269 HydrophobicContact CD2-CD2 3.39Å; L165-L269 HydrophobicContact CD2-CG 3.91Å; F228-L269 HydrophobicContact CD1-CD1 4.08Å; F228-L269 HydrophobicContact CE1-CD1 4.18Å; F228-L269 HydrophobicContact CE1-CD2 4.37Å; T267-L269 PolarHBondContact O-N 3.33Å
270	I	59.5	Low	62.8	Low	106 Å²	106	55.3 Å²	55.3	54%	0.544	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	106.3	176.1	-68.1	171.5	0	0	0	106.8	L260	L260-I270 HydrophobicContact CD1-CG2 4.08Å; L260-I270 HydrophobicContact CD2-CB 4.2Å; L260-I270 HydrophobicContact CD2-CD1 3.75Å; L260-I270 HydrophobicContact CD2-CG1 3.91Å; L260-I270 HydrophobicContact CD2-CG2 3.25Å; L260-I270 HydrophobicContact CG-CG2 3.47Å; L260-I270 VanDerWaalsContact CG-CG2 3.47Å
271	I	68.6	Low	65.5	Low	4 Å²	4	50.9 Å²	50.9	2%	0.021	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	134.3	170.6	-49.8	-164.2	0	0	0	107.3	V159 F228 L263 L275 P277	V159-I271 HydrophobicContact CG1-CG1 4.07Å; F228-I271 HydrophobicContact CE2-CD1 4.3Å; F228-I271 HydrophobicContact CZ-CD1 4.2Å; L263-I271 HydrophobicContact CD1-CD1 3.98Å; L263-I271 HydrophobicContact CD1-CG1 4.33Å; I271-L275 HydrophobicContact CG2-CB 3.75Å; I271-P277 HydrophobicContact CD1-CB 3.56Å; I271-P277 HydrophobicContact CD1-CG 3.89Å
272	A	69.8	Low	68	Low	34 Å²	34	47 Å²	47	28%	0.281	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-61.1	140.5	176.6	0	0	0	0	0	110.6	G274 L275	A272-G274 PolarHBondContact O-N 2.92Å; A272-L275 HydrophobicContact CB-CD1 4.25Å; A272-L275 PolarHBondContact O-N 2.89Å
273	D	68.8	Low	70.7	Confident	64 Å²	64	40 Å²	40	34%	0.342	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	136.3	176.2	-70.8	-19.2	0	0	0	110.9	K259 L260 T261	K259-D273 WeakPolarHBondContact CA-OD2 3.32Å; K259-D273 PolarHBondContact N-OD2 3.25Å; K259-D273 VanDerWaalsContact O-CG 3.28Å; L260-D273 PolarHBondContact N-OD2 3.3Å; T261-D273 PolarHBondContact N-OD1 3.19Å; T261-D273 PolarHBondContact OG1-OD1 3.11Å
274	G	77.6	Confident	73.1	Confident	36 Å²	36	37.5 Å²	37.5	37%	0.371	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.3	4.4	-176.6	0	0	0	0	0	114.9	P234 Q235 A272	P234-G274 WeakPolarHBondContact CA-O 3.33Å; Q235-G274 WeakPolarHBondContact CG-O 3.49Å; Q235-G274 PolarHBondContact N-O 3.21Å; A272-G274 PolarHBondContact O-N 2.92Å
275	L	84.4	Confident	75.7	Confident	24 Å²	24	34.9 Å²	34.9	13%	0.126	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	133.5	171.5	-63.4	179.4	0	0	0	111.3	L4 Y157 A232 I233 P234 I271 A272	L4-L275 HydrophobicContact CD1-CD1 4.44Å; Y157-L275 HydrophobicContact CD2-CD2 4.1Å; Y157-L275 HydrophobicContact CE2-CD2 4.49Å; A232-L275 HydrophobicContact CB-CB 3.99Å; A232-L275 HydrophobicContact CB-CD1 4.48Å; I233-L275 CarbonylContact O-C 3.55Å; I233-L275 WeakPolarHBondContact O-CA 3.39Å; P234-L275 HydrophobicContact CG-CD2 4.36Å; I271-L275 HydrophobicContact CG2-CB 3.75Å; A272-L275 HydrophobicContact CB-CD1 4.25Å; A272-L275 PolarHBondContact O-N 2.89Å
276	L	87.2	Confident	78.5	Confident	21 Å²	21	31.2 Å²	31.2	11%	0.11	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	127.3	173.2	-72.7	172.5	0	0	0	110.9	I109 A232 I233 Q235 E239	I109-L276 HydrophobicContact CD1-CD1 3.94Å; I109-L276 HydrophobicContact CG2-CB 3.87Å; I109-L276 HydrophobicContact CG2-CD1 4.45Å; A232-L276 CarbonylContact C-O 3.56Å; A232-L276 WeakPolarHBondContact CA-O 2.99Å; A232-L276 VanDerWaalsContact CB-O 3.3Å; A232-L276 WeakPolarHBondContact CB-O 3.07Å; I233-L276 HydrophobicContact CG1-CB 4.09Å; I233-L276 PolarHBondContact N-O 3.49Å; I233-L276 PolarHBondContact O-N 2.86Å; Q235-L276 HydrophobicContact CB-CD1 4.04Å; Q235-L276 HydrophobicContact CB-CG 4.05Å; Q235-L276 HydrophobicContact CG-CD1 4.4Å; Q235-L276 HydrophobicContact CG-CD2 4.4Å; Q235-L276 HydrophobicContact CG-CG 3.84Å; E239-L276 HydrophobicContact CB-CD1 4.18Å; E239-L276 HydrophobicContact CG-CD1 4.21Å; E239-L276 VanDerWaalsContact OE2-CD1 3.31Å; E239-L276 WeakPolarHBondContact OE2-CD1 3.3Å
277	P	89.1	Confident	81	Confident	14 Å²	14	25.7 Å²	25.7	9%	0.091	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	137.6	175.4	19.9	-25.5	0	0	0	112.3	F228 L263 I271 Y279	F228-P277 HydrophobicContact CD2-CB 3.75Å; F228-P277 HydrophobicContact CE2-CB 3.5Å; F228-P277 VanDerWaalsContact CE2-CB 3.5Å; L263-P277 HydrophobicContact CD1-CG 3.86Å; L263-P277 HydrophobicContact CD2-CB 4.43Å; L263-P277 HydrophobicContact CD2-CG 3.61Å; L263-P277 HydrophobicContact CG-CG 4.39Å; I271-P277 HydrophobicContact CD1-CB 3.56Å; I271-P277 HydrophobicContact CD1-CG 3.89Å; P277-Y279 HydrophobicContact CB-CE2 3.71Å; P277-Y279 HydrophobicContact CG-CE2 3.81Å; P277-Y279 WeakPolarHBondContact O-CD2 3.42Å; P277-Y279 WeakPolarHBondContact O-CE2 3.37Å
278	V	91.9	Very high	82.8	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	134.5	175.1	177.9	0	0	0	0	109.6	V78 L107 I109 F228 S229 L231 I233	V78-V278 HydrophobicContact CG1-CG1 4.27Å; V78-V278 HydrophobicContact CG1-CG2 4.1Å; V78-V278 HydrophobicContact CG2-CB 4.41Å; V78-V278 HydrophobicContact CG2-CG1 3.84Å; V78-V278 HydrophobicContact CG2-CG2 3.79Å; L107-V278 HydrophobicContact CD1-CG1 3.56Å; L107-V278 HydrophobicContact CD2-CG1 4.49Å; L107-V278 HydrophobicContact CG-CG1 3.63Å; I109-V278 HydrophobicContact CG2-CG2 4.38Å; F228-V278 WeakPolarHBondContact CD2-O 3.42Å; S229-V278 WeakPolarHBondContact CB-O 3.21Å; S229-V278 PolarHBondContact N-O 3.19Å; S229-V278 PolarHBondContact OG-O 3.45Å; L231-V278 HydrophobicContact CB-CB 4.11Å; L231-V278 HydrophobicContact CB-CG2 4.39Å; L231-V278 WeakPolarHBondContact O-CB 3.39Å; L231-V278 PolarHBondContact O-N 2.86Å; I233-V278 HydrophobicContact CG1-CG2 4.4Å; I233-V278 HydrophobicContact CG2-CG2 3.92Å
279	Y	93.4	Very high	84.3	Confident	32 Å²	32	24.2 Å²	24.2	13%	0.125	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	140.7	-179	-62.8	-97.1	0	0	0	110.8	L107 D108 M110 I227 F228 L263 P277	L107-Y279 CarbonylContact C-O 3.51Å; L107-Y279 WeakPolarHBondContact CA-O 3.3Å; D108-Y279 PolarHBondContact N-O 2.91Å; D108-Y279 PolarHBondContact O-N 3.44Å; D108-Y279 VanDerWaalsContact O-O 3.1Å; M110-Y279 HydrophobicContact CB-CD2 4.24Å; M110-Y279 HydrophobicContact CB-CE2 4.11Å; M110-Y279 HydrophobicContact CE-CD1 3.88Å; M110-Y279 HydrophobicContact CE-CD2 3.96Å; M110-Y279 HydrophobicContact CE-CE1 3.73Å; M110-Y279 HydrophobicContact CE-CE2 3.8Å; M110-Y279 HydrophobicContact CE-CG 4Å; I227-Y279 CarbonylContact O-C 3.53Å; I227-Y279 VanDerWaalsContact O-CA 3.23Å; I227-Y279 WeakPolarHBondContact O-CA 3.17Å; F228-Y279 HydrophobicContact CB-CD1 4.05Å; F228-Y279 HydrophobicContact CB-CE1 3.85Å; F228-Y279 HydrophobicContact CD2-CE1 4.42Å; L263-Y279 WeakPolarHBondContact CD2-OH 3.35Å; P277-Y279 HydrophobicContact CB-CE2 3.71Å; P277-Y279 HydrophobicContact CG-CE2 3.81Å; P277-Y279 WeakPolarHBondContact O-CD2 3.42Å; P277-Y279 WeakPolarHBondContact O-CE2 3.37Å
280	L	94.8	Very high	85.1	Confident	2 Å²	2	24.9 Å²	24.9	1%	0.01	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	113.8	162.3	179.4	68.2	0	0	0	108.4	L18 F21 R106 L107 L171 R226 I227	L18-L280 HydrophobicContact CD2-CB 4.28Å; L18-L280 HydrophobicContact CD2-CD2 3.91Å; F21-L280 HydrophobicContact CD1-CD2 3.49Å; F21-L280 VanDerWaalsContact CD1-CD2 3.49Å; F21-L280 HydrophobicContact CE1-CD2 3.55Å; F21-L280 HydrophobicContact CG-CD2 4.36Å; F21-L280 HydrophobicContact CZ-CD2 4.45Å; R106-L280 CarbonylContact O-C 3.54Å; R106-L280 WeakPolarHBondContact O-CA 3.4Å; L107-L280 HydrophobicContact CD1-CB 4.25Å; L171-L280 HydrophobicContact CD2-CD2 3.8Å; R226-L280 CarbonylContact C-O 3.55Å; R226-L280 VanDerWaalsContact CA-O 3.3Å; R226-L280 WeakPolarHBondContact CA-O 3.49Å; I227-L280 PolarHBondContact N-O 3.42Å; I227-L280 PolarHBondContact O-N 3.5Å
281	G	94.3	Very high	85.6	Confident	2 Å²	2	24.2 Å²	24.2	2%	0.021	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	135.6	171.4	0	0	0	0	0	111.6	R106	R106-G281 PolarHBondContact N-O 2.94Å; R106-G281 PolarHBondContact O-N 3.27Å
282	T	96	Very high	85.5	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	121.2	169.5	-57.3	0	0	0	0	109.7	W103 Q104 F105 I178 Q223 V224 G225	W103-T282 HydrophobicContact CE3-CG2 4.46Å; Q104-T282 WeakPolarHBondContact O-CA 3.26Å; F105-T282 HydrophobicContact CD1-CG2 3.95Å; F105-T282 HydrophobicContact CE1-CG2 3.7Å; I178-T282 HydrophobicContact CD1-CG2 3.99Å; I178-T282 HydrophobicContact CG1-CG2 4.21Å; Q223-T282 PolarHBondContact NE2-O 2.87Å; V224-T282 HydrophobicContact CB-CG2 4.1Å; V224-T282 WeakPolarHBondContact CB-O 3.45Å; V224-T282 HydrophobicContact CG2-CG2 4.27Å; V224-T282 PolarHBondContact N-O 3.27Å; G225-T282 PolarHBondContact N-O 3.14Å; G225-T282 PolarHBondContact O-N 2.86Å
283	T	95.6	Very high	84.8	Confident	14 Å²	14	27.3 Å²	27.3	9%	0.086	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	143.7	-177.8	-55.9	0	0	0	0	109.6	Q104 Y222 Q223	Q104-T283 PolarHBondContact N-O 3.05Å; Q104-T283 PolarHBondContact O-N 2.76Å; Y222-T283 WeakPolarHBondContact O-CA 3.42Å; Q223-T283 VanDerWaalsContact CD-OG1 3.3Å; Q223-T283 PolarHBondContact NE2-OG1 2.93Å; Q223-T283 PolarHBondContact OE1-OG1 3.27Å
284	V	96.5	Very high	84.3	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	132.7	170.4	61.3	0	0	0	0	110.1	E101 V102 W103 V181 L185 S221 Y222 V224	E101-V284 HydrophobicContact CB-CG2 4.39Å; V102-V284 WeakPolarHBondContact O-CA 3.36Å; W103-V284 HydrophobicContact CD2-CB 3.82Å; W103-V284 HydrophobicContact CD2-CG2 3.73Å; W103-V284 VanDerWaalsContact CE2-CG2 3.48Å; W103-V284 HydrophobicContact CE3-CB 3.86Å; W103-V284 HydrophobicContact CE3-CG2 4.29Å; W103-V284 HydrophobicContact CG-CB 4.42Å; W103-V284 HydrophobicContact CG-CG2 4.07Å; W103-V284 HydrophobicContact CH2-CB 4.18Å; W103-V284 HydrophobicContact CH2-CG1 4.32Å; W103-V284 HydrophobicContact CH2-CG2 4.41Å; W103-V284 HydrophobicContact CZ2-CB 4.13Å; W103-V284 HydrophobicContact CZ2-CG1 4.49Å; W103-V284 HydrophobicContact CZ2-CG2 3.86Å; W103-V284 HydrophobicContact CZ3-CB 4.06Å; W103-V284 HydrophobicContact CZ3-CG1 4.45Å; V181-V284 HydrophobicContact CG1-CG1 4.21Å; L185-V284 HydrophobicContact CD1-CB 4.45Å; L185-V284 HydrophobicContact CD1-CG1 4.08Å; L185-V284 HydrophobicContact CD1-CG2 3.7Å; L185-V284 HydrophobicContact CD2-CG1 4.33Å; S221-V284 CarbonylContact C-O 3.55Å; S221-V284 WeakPolarHBondContact CA-O 2.91Å; Y222-V284 HydrophobicContact CD1-CG1 4.31Å; Y222-V284 PolarHBondContact N-O 3.46Å; Y222-V284 PolarHBondContact O-N 3.5Å; V224-V284 HydrophobicContact CG2-CG1 4.2Å
285	H	95.1	Very high	83.4	Confident	2 Å²	2	33.9 Å²	33.9	1%	0.009	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	134.3	169.4	-52.1	-87.5	0	0	0	107.9	E101 V102 Q104 L212 L215 K220 S221	E101-H285 CarbonylContact C-O 3.49Å; E101-H285 VanDerWaalsContact CA-O 3.29Å; E101-H285 WeakPolarHBondContact CA-O 3.36Å; V102-H285 HydrophobicContact CB-CB 4.41Å; V102-H285 PolarHBondContact N-O 2.77Å; V102-H285 PolarHBondContact O-N 3.44Å; Q104-H285 PolarHBondContact OE1-NE2 2.86Å; L212-H285 HydrophobicContact CD2-CB 3.89Å; L215-H285 HydrophobicContact CD1-CB 3.51Å; K220-H285 CarbonylContact O-C 3.5Å; K220-H285 VanDerWaalsContact O-CA 3.31Å; K220-H285 WeakPolarHBondContact O-CA 3.34Å; S221-H285 WeakPolarHBondContact CB-ND1 3.18Å; S221-H285 PolarHBondContact OG-ND1 2.81Å
286	Y	94.2	Very high	82.3	Confident	17 Å²	17	38.5 Å²	38.5	7%	0.067	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	149	-173.3	64.4	-83.6	0	0	0	113	V100 L185 P186 P219 K220 T288	V100-Y286 WeakPolarHBondContact O-CA 3.5Å; L185-Y286 HydrophobicContact CD2-CD1 3.67Å; L185-Y286 HydrophobicContact CD2-CD2 4.32Å; L185-Y286 HydrophobicContact CD2-CE1 3.83Å; L185-Y286 HydrophobicContact CD2-CE2 4.44Å; L185-Y286 HydrophobicContact CD2-CG 3.93Å; P186-Y286 HydrophobicContact CG-CD2 4.12Å; P186-Y286 HydrophobicContact CG-CE2 4.2Å; P219-Y286 WeakPolarHBondContact CA-O 3.22Å; K220-Y286 HydrophobicContact CB-CD1 4.24Å; K220-Y286 HydrophobicContact CB-CD2 4.42Å; K220-Y286 HydrophobicContact CB-CE1 3.6Å; K220-Y286 HydrophobicContact CB-CE2 3.84Å; K220-Y286 HydrophobicContact CD-CE2 4.4Å; K220-Y286 PolarHBondContact N-O 2.97Å; K220-Y286 WeakPolarHBondContact O-CD1 3.47Å; K220-Y286 PolarHBondContact O-N 2.97Å; Y286-T288 HydrophobicContact CE2-CG2 4.22Å
287	R	93	Very high	81.2	Confident	11 Å²	11	42.2 Å²	42.2	4%	0.042	22%	0.223	C	C	.	.			trans	-71.7	129.4	173.9	179.9	175.7	-74.6	-97.9	2.5	109.5	V99 V100 R214 L215 E289 I290 D303	V99-R287 PolarHBondContact O-NE 2.9Å; V100-R287 PolarHBondContact O-N 3.23Å; R214-R287 PolarHBondContact O-NH2 2.65Å; L215-R287 VanDerWaalsContact C-NH2 3.35Å; L215-R287 HydrophobicContact CD2-CB 4.49Å; L215-R287 WeakPolarHBondContact O-CB 3.45Å; L215-R287 VanDerWaalsContact O-CG 3.29Å; L215-R287 WeakPolarHBondContact O-CG 3.25Å; L215-R287 VanDerWaalsContact O-CZ 3.26Å; L215-R287 PolarHBondContact O-NE 2.78Å; L215-R287 VanDerWaalsContact O-NE 3.14Å; R287-E289 WeakPolarHBondContact CD-O 3.28Å; R287-E289 WeakPolarHBondContact CG-O 3.49Å; R287-I290 HydrophobicContact CG-CG1 4.41Å; R287-D303 IonicContact CZ-OD2 4Å; R287-D303 IonicContact NH1-OD2 3.1Å; R287-D303 PolarHBondContact NH1-OD2 3.37Å; R287-D303 VanDerWaalsContact NH1-OD2 3.1Å; R287-D303 IonicContact NH2-OD2 2.65Å
288	T	85.5	Confident	80.1	Confident	43 Å²	43	42 Å²	42	26%	0.264	22%	0.221	S	C	.	.			trans	-92.4	-36.8	177.5	47.7	0	0	0	0	112.2	T218 K220 Y286 I290	T218-T288 WeakPolarHBondContact O-CG2 3.19Å; T218-T288 PolarHBondContact O-OG1 2.65Å; T218-T288 PolarHBondContact OG1-OG1 3.28Å; K220-T288 HydrophobicContact CB-CG2 3.82Å; K220-T288 HydrophobicContact CD-CG2 3.5Å; K220-T288 VanDerWaalsContact CD-CG2 3.5Å; K220-T288 HydrophobicContact CG-CG2 3.46Å; K220-T288 VanDerWaalsContact CG-CG2 3.46Å; Y286-T288 HydrophobicContact CE2-CG2 4.22Å; T288-I290 PolarHBondContact O-N 2.84Å
289	E	76.4	Confident	78.7	Confident	65 Å²	65	45.6 Å²	45.6	30%	0.304	24%	0.24	S	C	.	.			trans	-87.4	92.5	-177.7	-67.9	168.4	-159.2	0	0	109.8	T218 R287	T218-E289 WeakPolarHBondContact CG2-OE1 3.37Å; T218-E289 PolarHBondContact OG1-OE1 2.92Å; R287-E289 WeakPolarHBondContact CD-O 3.28Å; R287-E289 WeakPolarHBondContact CG-O 3.49Å
290	I	76.3	Confident	77	Confident	31 Å²	31	45.9 Å²	45.9	16%	0.159	25%	0.246	C	C	.	.			trans	-115.1	107.4	173.6	-57.5	-176.9	0	0	0	107.5	V100 P186 L190 R287 T288 F292 L298	V100-I290 HydrophobicContact CG1-CD1 4.44Å; P186-I290 HydrophobicContact CB-CD1 3.62Å; L190-I290 HydrophobicContact CD1-CG2 4.47Å; R287-I290 HydrophobicContact CG-CG1 4.41Å; T288-I290 PolarHBondContact O-N 2.84Å; I290-F292 HydrophobicContact CG2-CE2 3.77Å; I290-F292 HydrophobicContact CG2-CZ 3.95Å; I290-L298 HydrophobicContact CG2-CD1 3.38Å
291	H	69.1	Low	75.4	Confident	92 Å²	92	48.6 Å²	48.6	43%	0.426	26%	0.259	S	S	.	.			trans	-96.1	130	-175.9	-70.7	-90.8	0	0	0	111.7	I299 M301	H291-I299 HydrophobicContact CB-CB 4.43Å; H291-I299 PolarHBondContact O-N 3Å; H291-M301 PolarHBondContact CD2-SD 3.41Å
292	F	66.7	Low	73.4	Confident	68 Å²	68	55.2 Å²	55.2	30%	0.298	29%	0.293	S	S	.	.	B	Isolated β-bridge	trans	-106.7	140.5	170.1	-63.7	-87.1	0	0	0	109.6	L190 I290 N296 K297 L298	L190-F292 HydrophobicContact CD1-CE1 4.29Å; L190-F292 HydrophobicContact CD1-CZ 4.11Å; I290-F292 HydrophobicContact CG2-CE2 3.77Å; I290-F292 HydrophobicContact CG2-CZ 3.95Å; F292-N296 WeakPolarHBondContact CD1-O 3.48Å; F292-K297 CarbonylContact C-O 3.58Å; F292-K297 WeakPolarHBondContact CA-O 3.45Å; F292-L298 HydrophobicContact CD1-CB 4.39Å; F292-L298 HydrophobicContact CD1-CD1 4.43Å; F292-L298 HydrophobicContact CE1-CB 4.27Å; F292-L298 HydrophobicContact CE1-CD1 4.11Å; F292-L298 HydrophobicContact CZ-CD1 4.29Å
293	S	55.1	Low	71.1	Confident	36 Å²	36	58.9 Å²	58.9	25%	0.252	31%	0.312	S	S	.	.			trans	-64	163.1	168.1	-177.3	0	0	0	0	110.3	N295 N296 K297	S293-N295 PolarHBondContact O-N 2.99Å; S293-N296 WeakPolarHBondContact O-CA 3.23Å; S293-N296 PolarHBondContact O-N 2.92Å; S293-K297 WeakPolarHBondContact CB-O 3.37Å; S293-K297 PolarHBondContact N-O 3.39Å
294	S	57.5	Low	68.2	Low	115 Å²	115	61.1 Å²	61.1	80%	0.804	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-24.8	171.9	50	0	0	0	0	113.3	N296	S294-N296 VanDerWaalsContact C-N 3.3Å; S294-N296 PolarHBondContact O-N 2.93Å
295	N	60.1	Low	64.8	Low	122 Å²	122	68.5 Å²	68.5	65%	0.652	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	17.9	174.7	-63.5	-22.9	0	0	0	113.5	S293 K297	S293-N295 PolarHBondContact O-N 2.99Å; N295-K297 HydrophobicContact CB-CG 4.29Å; N295-K297 PolarHBondContact O-N 3.33Å; N295-K297 VanDerWaalsContact O-N 3.09Å
296	N	60.6	Low	61.7	Low	121 Å²	121	74.2 Å²	74.2	65%	0.647	41%	0.412	S	S	*	.	S	Bend	trans	57.7	15	-173.8	-81.6	-11.7	0	0	0	115.8	F292 S293 S294	F292-N296 WeakPolarHBondContact CD1-O 3.48Å; S293-N296 WeakPolarHBondContact O-CA 3.23Å; S293-N296 PolarHBondContact O-N 2.92Å; S294-N296 VanDerWaalsContact C-N 3.3Å; S294-N296 PolarHBondContact O-N 2.93Å
297	K	64	Low	58.5	Low	99 Å²	99	82.2 Å²	82.2	43%	0.43	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-79.7	133.4	174.8	-60.6	-177.1	-178.1	-100.7	0	110.1	E198 F292 S293 N295 I299	E198-K297 WeakPolarHBondContact OE1-CE 3.4Å; E198-K297 IonicContact OE1-NZ 2.67Å; E198-K297 PolarHBondContact OE1-NZ 3.01Å; F292-K297 CarbonylContact C-O 3.58Å; F292-K297 WeakPolarHBondContact CA-O 3.45Å; S293-K297 WeakPolarHBondContact CB-O 3.37Å; S293-K297 PolarHBondContact N-O 3.39Å; N295-K297 HydrophobicContact CB-CG 4.29Å; N295-K297 PolarHBondContact O-N 3.33Å; N295-K297 VanDerWaalsContact O-N 3.09Å; K297-I299 PolarHBondContact O-N 3.2Å
298	L	66.5	Low	55.6	Low	9 Å²	9	84.7 Å²	84.7	5%	0.047	48%	0.475	C	S	.	.	B	Isolated β-bridge	trans	-61.9	124.3	175.1	-177.8	70.4	0	0	0	109.8	A88 W90 M98 L190 Y199 I290 F292	A88-L298 HydrophobicContact CB-CD2 4.43Å; W90-L298 HydrophobicContact CH2-CD2 3.45Å; W90-L298 VanDerWaalsContact CH2-CD2 3.45Å; W90-L298 HydrophobicContact CH2-CG 4.24Å; W90-L298 HydrophobicContact CZ2-CB 4.27Å; W90-L298 HydrophobicContact CZ2-CD2 3.3Å; W90-L298 HydrophobicContact CZ2-CG 3.76Å; M98-L298 HydrophobicContact CE-CD1 4.48Å; M98-L298 HydrophobicContact CE-CD2 3.77Å; L190-L298 HydrophobicContact CD1-CD1 3.92Å; L190-L298 HydrophobicContact CD1-CD2 3.74Å; L190-L298 HydrophobicContact CD1-CG 4.27Å; L190-L298 HydrophobicContact CD2-CD2 4.26Å; Y199-L298 HydrophobicContact CD1-CB 4.05Å; Y199-L298 HydrophobicContact CD1-CD2 4.35Å; Y199-L298 HydrophobicContact CD2-CD2 4.4Å; Y199-L298 HydrophobicContact CE1-CB 3.99Å; Y199-L298 HydrophobicContact CG-CD2 4.29Å; I290-L298 HydrophobicContact CG2-CD1 3.38Å; F292-L298 HydrophobicContact CD1-CB 4.39Å; F292-L298 HydrophobicContact CD1-CD1 4.43Å; F292-L298 HydrophobicContact CE1-CB 4.27Å; F292-L298 HydrophobicContact CE1-CD1 4.11Å; F292-L298 HydrophobicContact CZ-CD1 4.29Å
299	I	61.5	Low	52.7	Low	76 Å²	76	90.2 Å²	90.2	39%	0.39	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-90.5	119.7	174.3	-61.5	173	0	0	0	107.8	H291 K297 M301	H291-I299 HydrophobicContact CB-CB 4.43Å; H291-I299 PolarHBondContact O-N 3Å; K297-I299 PolarHBondContact O-N 3.2Å; I299-M301 PolarHBondContact O-N 3.31Å
300	P	58.9	Low	50.8	Low	39 Å²	39	92.8 Å²	92.8	25%	0.253	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-64.1	123.1	170	30	-38.1	0	0	0	110.1	W90 M96	W90-P300 HydrophobicContact CH2-CB 4.16Å; W90-P300 HydrophobicContact CZ2-CB 4.08Å; M96-P300 HydrophobicContact CE-CB 3.38Å; M96-P300 HydrophobicContact CE-CG 3.3Å; M96-P300 HydrophobicContact CG-CB 3.99Å; M96-P300 HydrophobicContact SD-CB 3.2Å; M96-P300 WeakPolarHBondContact SD-CB 3.13Å; M96-P300 HydrophobicContact SD-CG 3.33Å; M96-P300 WeakPolarHBondContact SD-CG 3.46Å
301	M	60.6	Low	48.6	Very low	58 Å²	58	96.1 Å²	96.1	29%	0.286	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-83.5	116.3	166.3	-79.4	-169.2	47.1	0	0	109.4	H291 I299 D303	H291-M301 PolarHBondContact CD2-SD 3.41Å; I299-M301 PolarHBondContact O-N 3.31Å; M301-D303 WeakPolarHBondContact CE-OD1 3.4Å; M301-D303 PolarHBondContact O-N 2.98Å
302	I	51.8	Low	46.5	Very low	142 Å²	142	95.3 Å²	95.3	73%	0.728	55%	0.554	S	S	*	*			trans	-82.4	76.5	171.3	-52.9	172.8	0	0	0	107.2	G304	I302-G304 PolarHBondContact O-N 2.89Å
303	D	47.8	Very low	44.7	Very low	76 Å²	76	100.1 Å²	100.1	41%	0.406	58%	0.575	S	S	.	*			trans	-78.7	99.6	170.6	-69	-34.3	0	0	0	108.7	R287 M301	R287-D303 IonicContact CZ-OD2 4Å; R287-D303 IonicContact NH1-OD2 3.1Å; R287-D303 PolarHBondContact NH1-OD2 3.37Å; R287-D303 VanDerWaalsContact NH1-OD2 3.1Å; R287-D303 IonicContact NH2-OD2 2.65Å; M301-D303 WeakPolarHBondContact CE-OD1 3.4Å; M301-D303 PolarHBondContact O-N 2.98Å
304	G	35.3	Very low	43.5	Very low	61 Å²	61	105.4 Å²	105.4	63%	0.629	60%	0.6	S	S	*	*	S	Bend	trans	66.6	110.4	162.5	0	0	0	0	0	115.9	I302 T306	I302-G304 PolarHBondContact O-N 2.89Å; G304-T306 PolarHBondContact O-N 3.4Å
305	L	25.8	Very low	42.1	Very low	155 Å²	155	102.8 Å²	102.8	81%	0.812	59%	0.591	S	S	*	*			trans	-50.4	91.9	172.7	-133.1	95.1	0	0	0	112.3
306	T	29.8	Very low	40.5	Very low	123 Å²	123	98.7 Å²	98.7	76%	0.755	57%	0.569	S	S	*	*			trans	-102.8	103.3	146.8	53	0	0	0	0	106	G304 G308	G304-T306 PolarHBondContact O-N 3.4Å; T306-G308 VanDerWaalsContact C-N 3.29Å; T306-G308 PolarHBondContact O-N 2.82Å
307	K	26.6	Very low	38.9	Very low	185 Å²	185	101.9 Å²	101.9	80%	0.804	58%	0.58	S	S	*	*			trans	-52.1	106.5	157.9	-81	180	174.6	179	0	105.2	N309	K307-N309 PolarHBondContact O-N 3.19Å
308	G	31.7	Very low	37	Very low	62 Å²	62	105.6 Å²	105.6	64%	0.639	60%	0.599	S	S	*	*			trans	-58.3	93.1	174.5	0	0	0	0	0	108.2	T306 L310	T306-G308 VanDerWaalsContact C-N 3.29Å; T306-G308 PolarHBondContact O-N 2.82Å; G308-L310 PolarHBondContact O-N 3.11Å
309	N	25.8	Very low	35.1	Very low	159 Å²	159	112 Å²	112	85%	0.85	63%	0.632	S	S	*	*			trans	-77.7	80.1	170.8	-140.4	-1.7	0	0	0	104.9	K307 S311	K307-N309 PolarHBondContact O-N 3.19Å; N309-S311 PolarHBondContact O-N 3Å
310	L	34.9	Very low	33.5	Very low	120 Å²	120	117.3 Å²	117.3	63%	0.628	65%	0.652	S	S	*	*			trans	-66.3	87.5	171.3	-69.7	160.8	0	0	0	106.7	G308 A312 V360	G308-L310 PolarHBondContact O-N 3.11Å; L310-A312 PolarHBondContact O-N 3.22Å; L310-V360 HydrophobicContact CB-CG2 4.32Å; L310-V360 HydrophobicContact CD1-CB 4.26Å; L310-V360 HydrophobicContact CD1-CG2 3.31Å; L310-V360 HydrophobicContact CD2-CG2 3.33Å; L310-V360 HydrophobicContact CG-CG2 3.77Å
311	S	29.9	Very low	31.9	Very low	100 Å²	100	122.7 Å²	122.7	70%	0.699	68%	0.679	S	S	*	*			trans	-66.5	117.3	177.4	-176.5	0	0	0	0	108.8	N309 K313	N309-S311 PolarHBondContact O-N 3Å; S311-K313 VanDerWaalsContact C-N 3.26Å; S311-K313 PolarHBondContact O-N 3.15Å
312	A	25.8	Very low	30.4	Very low	76 Å²	76	126.3 Å²	126.3	63%	0.628	70%	0.704	S	S	*	*			trans	-65	71.5	-175.8	0	0	0	0	0	113.5	L310	L310-A312 PolarHBondContact O-N 3.22Å
313	K	28	Very low	29.3	Very low	168 Å²	168	127.2 Å²	127.2	73%	0.73	71%	0.711	S	S	*	*			trans	-131.2	79.4	165	-72.7	-173	178	-176.8	0	108.6	S311	S311-K313 VanDerWaalsContact C-N 3.26Å; S311-K313 PolarHBondContact O-N 3.15Å
314	N	31.8	Very low	28.4	Very low	147 Å²	147	127.2 Å²	127.2	79%	0.786	73%	0.729	S	S	*	*	S	Bend	trans	160.7	124.5	143.7	-77.1	-5.5	0	0	0	108.4
315	G	26.4	Very low	28.1	Very low	60 Å²	60	133 Å²	133	62%	0.619	74%	0.739	S	S	*	*			trans	-69.8	142.7	-155.3	0	0	0	0	0	116.7
316	I	27.5	Very low	28.3	Very low	37 Å²	37	134.9 Å²	134.9	19%	0.19	74%	0.743	C	S	.	*			trans	-135.7	129.7	177.1	-63.3	177.4	0	0	0	108.7	Q358 T359 D361	I316-Q358 HydrophobicContact CB-CG 4.5Å; I316-Q358 PolarHBondContact O-NE2 3.23Å; I316-T359 WeakPolarHBondContact CD1-O 3.44Å; I316-D361 HydrophobicContact CD1-CB 3.83Å; I316-D361 VanDerWaalsContact CD1-N 3.28Å; I316-D361 HydrophobicContact CG1-CB 4.45Å; I316-D361 WeakPolarHBondContact CG1-OD2 3.41Å; I316-D361 VanDerWaalsContact CG2-CG 3.5Å; I316-D361 WeakPolarHBondContact CG2-OD1 3.26Å; I316-D361 WeakPolarHBondContact CG2-OD2 3.2Å
317	H	25.7	Very low	28.1	Very low	187 Å²	187	134.4 Å²	134.4	87%	0.866	75%	0.745	S	S	*	*			trans	-130.7	127.1	177.7	-117.6	-79.6	0	0	0	108.4
318	E	25.1	Very low	28.2	Very low	177 Å²	177	132.2 Å²	132.2	83%	0.827	75%	0.747	S	S	*	*			trans	-64.8	141.2	-174	-66	171	140.6	0	0	115.5
319	I	25.9	Very low	27.9	Very low	144 Å²	144	135.4 Å²	135.4	74%	0.738	75%	0.75	S	S	*	*			trans	-149	110	147	-47.6	179	0	0	0	104.5
320	F	28.8	Very low	28.1	Very low	187 Å²	187	137.6 Å²	137.6	82%	0.82	75%	0.752	S	S	*	*				-155.2	134.5	69	-82.2	-87.8	0	0	0	112.5
321	D	25.3	Very low	27.8	Very low	152 Å²	152	140 Å²	140	81%	0.813	76%	0.759	S	S	*	*			trans	-63.4	128.1	157.7	-91.8	-44	0	0	0	111.1
322	T	29.2	Very low	27.8	Very low	134 Å²	134	138.8 Å²	138.8	82%	0.822	76%	0.756	S	S	*	*			trans	-130.1	85.1	150.3	58.3	0	0	0	0	109.5
323	N	28.1	Very low	28	Very low	161 Å²	161	142.1 Å²	142.1	86%	0.861	76%	0.762	S	S	*	*			trans	-127.7	122.5	160.3	-91.4	-30	0	0	0	107.9
324	G	28.9	Very low	28.1	Very low	77 Å²	77	144 Å²	144	79%	0.794	76%	0.764	S	S	*	*			trans	157.5	58.1	170.7	0	0	0	0	0	116.3	H326	G324-H326 PolarHBondContact O-N 3.43Å
325	H	28.5	Very low	28.1	Very low	183 Å²	183	142.1 Å²	142.1	85%	0.847	75%	0.754	S	S	*	*			trans	-59.2	119	147.6	-88	-89	0	0	0	107.7
326	H	31.3	Very low	28.4	Very low	193 Å²	193	146.9 Å²	146.9	89%	0.894	76%	0.76	S	S	*	*			trans	-176.2	122.3	136.5	-88.2	-50.2	0	0	0	111.5	G324	G324-H326 PolarHBondContact O-N 3.43Å
327	S	25	Very low	28.7	Very low	113 Å²	113	154.4 Å²	154.4	79%	0.79	79%	0.792	S	S	*	*			trans	-48.6	132.3	167.4	135	0	0	0	0	113.1
328	V	29.8	Very low	28.9	Very low	139 Å²	139	155 Å²	155	84%	0.842	79%	0.792	S	S	*	*				-157.9	135.8	125.8	-147.7	0	0	0	0	110.4
329	N	24.2	Very low	29.1	Very low	130 Å²	130	151.9 Å²	151.9	70%	0.695	79%	0.79	S	S	*	*			trans	-95.4	136.2	179.9	-174.9	-4.1	0	0	0	109.3
330	F	30.7	Very low	29.4	Very low	204 Å²	204	154.3 Å²	154.3	90%	0.895	80%	0.798	S	S	*	*			trans	-159.7	129.1	146.5	-95.7	-69.1	0	0	0	112.9
331	H	27.7	Very low	29.3	Very low	171 Å²	171	154.7 Å²	154.7	79%	0.792	80%	0.799	S	S	*	*			trans	-42.2	151.2	174.3	-105.9	-89.4	0	0	0	118.5
332	A	30.7	Very low	29.7	Very low	75 Å²	75	155.8 Å²	155.8	62%	0.62	80%	0.799	S	S	*	*				105.2	119.1	123	0	0	0	0	0	120.7
333	L	30.1	Very low	29.6	Very low	146 Å²	146	154.7 Å²	154.7	76%	0.764	79%	0.792	S	S	*	*				94.7	106.9	128.7	-71.9	164.4	0	0	0	120
334	R	29.8	Very low	29.7	Very low	206 Å²	206	158 Å²	158	78%	0.777	79%	0.792	S	S	*	*				70.9	116.5	121.9	-96	-170.2	164.7	156.8	-5.2	119.7
335	N	31.5	Very low	29.5	Very low	108 Å²	108	160.6 Å²	160.6	58%	0.578	79%	0.793	S	S	*	*				92	116.2	118.2	-79	3.9	0	0	0	121
336	H	33.4	Very low	29.7	Very low	160 Å²	160	157.7 Å²	157.7	74%	0.741	79%	0.793	S	S	*	*			trans	88.7	126.4	131.1	-67.8	-50.5	0	0	0	121.5
337	K	33.6	Very low	29.6	Very low	196 Å²	196	156.5 Å²	156.5	85%	0.852	79%	0.788	S	S	*	*			trans	89.6	104.7	138.5	-92.8	179.3	172.1	177.3	0	119.6
338	K	29.2	Very low	29.9	Very low	200 Å²	200	157.5 Å²	157.5	87%	0.87	79%	0.789	S	S	*	*			trans	-1.7	134.6	140.9	-63.3	178.9	174.6	-178.5	0	116.7
339	S	30.1	Very low	29.9	Very low	111 Å²	111	156.5 Å²	156.5	78%	0.776	79%	0.785	S	S	*	*				161.9	159.1	91.4	53	0	0	0	0	113.1
340	Q	31.9	Very low	30.3	Very low	195 Å²	195	158 Å²	158	91%	0.911	79%	0.792	S	S	*	*			trans	97.6	128.3	155.9	-83.3	179.1	-19.7	0	0	122.3
341	K	27.2	Very low	30.2	Very low	195 Å²	195	154.6 Å²	154.6	85%	0.848	79%	0.787	S	S	*	*			trans	-78.6	150.2	176.4	-65.3	171.1	170.4	179.4	0	112.3
342	H	32.1	Very low	30.4	Very low	174 Å²	174	155.6 Å²	155.6	81%	0.806	79%	0.789	S	S	*	*			trans	176.9	113.3	136.5	-109	-84.7	0	0	0	108.7
343	V	27.9	Very low	30.1	Very low	111 Å²	111	157.2 Å²	157.2	67%	0.673	79%	0.793	S	S	*	*				79.1	129.4	83.3	173	0	0	0	0	115.7
344	R	29.8	Very low	30	Very low	230 Å²	230	157.5 Å²	157.5	87%	0.868	80%	0.795	S	S	*	*			trans	94.1	100.6	152.6	-94.6	176.6	-164.5	156.6	4.1	122.7
345	V	26.1	Very low	29.8	Very low	133 Å²	133	153.7 Å²	153.7	81%	0.806	80%	0.795	S	S	*	*				12.4	129.4	119.4	-170.8	0	0	0	0	119.7
346	S	31.6	Very low	29.7	Very low	121 Å²	121	153.7 Å²	153.7	85%	0.846	80%	0.803	S	S	*	*			trans	-163.4	142.9	138.3	59.2	0	0	0	0	113.1
347	E	28.7	Very low	29.3	Very low	169 Å²	169	152.8 Å²	152.8	79%	0.79	81%	0.809	S	S	*	*			trans	-77.6	157.8	-168.3	-56.4	157.8	139	0	0	115.9
348	T	32.4	Very low	29	Very low	133 Å²	133	147.5 Å²	147.5	82%	0.816	79%	0.787	S	S	*	*				144.5	145.2	121.2	42.9	0	0	0	0	115
349	P	29.4	Very low	29.1	Very low	118 Å²	118	142.8 Å²	142.8	77%	0.766	78%	0.776	S	S	*	*			trans	-103.2	153.8	-157.1	38.6	-31	0	0	0	114.5
350	I	33	Very low	29.5	Very low	162 Å²	162	140.9 Å²	140.9	83%	0.831	76%	0.759	S	S	*	*			trans	-127.7	119.4	171.4	-63.5	177.2	0	0	0	110
351	V	28.8	Very low	29.7	Very low	133 Å²	133	135.6 Å²	135.6	81%	0.806	74%	0.737	S	S	*	*			trans	-83.8	130.8	174.8	175.3	0	0	0	0	110.5
352	K	30.9	Very low	30.4	Very low	191 Å²	191	129 Å²	129	83%	0.83	71%	0.71	S	S	*	*			trans	-142.9	142.3	155.1	-79.3	-172.5	-179.3	172.8	0	110.7
353	P	25.8	Very low	31.1	Very low	109 Å²	109	122.9 Å²	122.9	71%	0.708	68%	0.683	S	S	*	*			trans	-105.8	170.9	-166.7	41.2	-34.2	0	0	0	114.6
354	L	26.8	Very low	32.2	Very low	152 Å²	152	122.7 Å²	122.7	80%	0.796	67%	0.67	S	S	*	*			trans	90.4	128.3	155.1	-101.8	80.5	0	0	0	120.6
355	T	25.6	Very low	33.2	Very low	127 Å²	127	112.9 Å²	112.9	78%	0.779	63%	0.634	S	S	*	*			trans	78.9	100.1	152.1	65.1	0	0	0	0	120.6
356	S	28.7	Very low	34	Very low	107 Å²	107	111.7 Å²	111.7	75%	0.748	62%	0.619	S	S	*	*				173.4	124.9	128.2	55.3	0	0	0	0	112.9
357	T	25.8	Very low	34.1	Very low	142 Å²	142	113.3 Å²	113.3	87%	0.871	61%	0.613	S	S	*	*			trans	7.1	119.4	154.7	39.3	0	0	0	0	120
358	Q	27.2	Very low	34.3	Very low	84 Å²	84	107.1 Å²	107.1	39%	0.393	59%	0.589	S	S	.	*			trans	-108.2	127.3	174.1	-86.2	176.1	-6	0	0	113	I316	I316-Q358 HydrophobicContact CB-CG 4.5Å; I316-Q358 PolarHBondContact O-NE2 3.23Å
359	T	31.3	Very low	34.2	Very low	102 Å²	102	110.1 Å²	110.1	63%	0.626	59%	0.591	S	S	*	*			trans	-92.6	147.5	177.5	36.5	0	0	0	0	111.6	I316	I316-T359 WeakPolarHBondContact CD1-O 3.44Å
360	V	38.5	Very low	34.2	Very low	70 Å²	70	109.4 Å²	109.4	42%	0.424	58%	0.58	S	S	.	*			trans	-68.8	128.4	180	165.5	0	0	0	0	112.3	L310 M362	L310-V360 HydrophobicContact CB-CG2 4.32Å; L310-V360 HydrophobicContact CD1-CB 4.26Å; L310-V360 HydrophobicContact CD1-CG2 3.31Å; L310-V360 HydrophobicContact CD2-CG2 3.33Å; L310-V360 HydrophobicContact CG-CG2 3.77Å; V360-M362 PolarHBondContact O-N 3.38Å; V360-M362 VanDerWaalsContact O-N 3.1Å
361	D	36.7	Very low	33.9	Very low	85 Å²	85	106.5 Å²	106.5	46%	0.455	57%	0.572	S	S	.	*			trans	-72.5	100.8	173.6	-84.6	-20	0	0	0	109.2	I316	I316-D361 HydrophobicContact CD1-CB 3.83Å; I316-D361 VanDerWaalsContact CD1-N 3.28Å; I316-D361 HydrophobicContact CG1-CB 4.45Å; I316-D361 WeakPolarHBondContact CG1-OD2 3.41Å; I316-D361 VanDerWaalsContact CG2-CG 3.5Å; I316-D361 WeakPolarHBondContact CG2-OD1 3.26Å; I316-D361 WeakPolarHBondContact CG2-OD2 3.2Å
362	M	40.5	Very low	33.8	Very low	56 Å²	56	105 Å²	105	28%	0.276	57%	0.566	S	S	.	*			trans	-100.4	109.6	173.4	-175.8	-172.4	74.3	0	0	107.2	H89 L97 C202 V360 R364	H89-M362 HydrophobicContact CB-CE 3.86Å; H89-M362 HydrophobicContact CB-SD 3.44Å; H89-M362 WeakPolarHBondContact CB-SD 3.47Å; H89-M362 VanDerWaalsContact CD2-CE 3.47Å; H89-M362 WeakPolarHBondContact CD2-CE 3.31Å; H89-M362 VanDerWaalsContact CD2-SD 3.52Å; H89-M362 WeakPolarHBondContact CE1-CE 3.38Å; H89-M362 WeakPolarHBondContact ND1-CE 3.3Å; L97-M362 HydrophobicContact CD2-SD 3.63Å; C202-M362 HydrophobicContact CB-CG 3.57Å; C202-M362 HydrophobicContact CB-SD 4.18Å; C202-M362 VanDerWaalsContact SG-CG 3.51Å; V360-M362 PolarHBondContact O-N 3.38Å; V360-M362 VanDerWaalsContact O-N 3.1Å; M362-R364 PolarHBondContact O-N 3.07Å; M362-R364 VanDerWaalsContact O-N 3.16Å
363	I	48.6	Very low	33.5	Very low	45 Å²	45	105.4 Å²	105.4	23%	0.231	56%	0.562	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-77.7	110.1	-179.4	-56.3	-179.1	0	0	0	107.5	T65 Y203	T65-I363 HydrophobicContact CG2-CD1 3.47Å; T65-I363 VanDerWaalsContact CG2-CD1 3.47Å; T65-I363 WeakPolarHBondContact OG1-CD1 3.43Å; Y203-I363 HydrophobicContact CE1-CB 4.16Å; Y203-I363 HydrophobicContact CE1-CG2 3.98Å
364	R	49.8	Very low	33.5	Very low	108 Å²	108	106.3 Å²	106.3	41%	0.408	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-68.3	136.7	175.1	-168.3	-179.5	-171.2	-175.5	4.5	107.9	M362 E366	M362-R364 PolarHBondContact O-N 3.07Å; M362-R364 VanDerWaalsContact O-N 3.16Å; R364-E366 PolarHBondContact O-N 3.12Å
365	F	51.5	Low	33.3	Very low	23 Å²	23	104.7 Å²	104.7	10%	0.101	55%	0.552	C	S	.	*			trans	-68.2	82.8	156.7	-63.6	-70.3	0	0	0	107.2	V30 R33 N34 M201 Y203 Q367	V30-F365 HydrophobicContact CB-CE1 4.43Å; V30-F365 HydrophobicContact CG1-CD1 4.44Å; V30-F365 HydrophobicContact CG1-CE1 3.37Å; V30-F365 HydrophobicContact CG1-CZ 3.9Å; V30-F365 WeakPolarHBondContact O-CE1 3.23Å; R33-F365 HydrophobicContact CB-CE2 3.97Å; R33-F365 HydrophobicContact CB-CZ 3.78Å; N34-F365 HydrophobicContact CB-CD1 4.42Å; N34-F365 WeakPolarHBondContact OD1-CD1 3.5Å; N34-F365 WeakPolarHBondContact OD1-CE1 3.29Å; M201-F365 VanDerWaalsContact C-CE2 3.47Å; M201-F365 HydrophobicContact CB-CD2 3.51Å; M201-F365 HydrophobicContact CB-CE2 3.5Å; M201-F365 VanDerWaalsContact CB-CE2 3.5Å; M201-F365 WeakPolarHBondContact O-CD2 3.26Å; Y203-F365 AromaticContact CD1-CE1 3.91Å; Y203-F365 HydrophobicContact CD1-CE1 3.91Å; Y203-F365 HydrophobicContact CD1-CE2 4.4Å; Y203-F365 AromaticContact CD1-CZ 3.71Å; Y203-F365 HydrophobicContact CD1-CZ 3.71Å; Y203-F365 HydrophobicContact CE1-CE1 4.22Å; Y203-F365 HydrophobicContact CE1-CZ 4.47Å; F365-Q367 PolarHBondContact O-N 3.05Å
366	E	42.5	Very low	33.2	Very low	109 Å²	109	103.9 Å²	103.9	51%	0.509	55%	0.549	S	S	.	.			trans	-60	132.2	157	-72.3	-133.2	144.1	0	0	105.8	R364 S368	R364-E366 PolarHBondContact O-N 3.12Å; E366-S368 VanDerWaalsContact C-N 3.35Å; E366-S368 PolarHBondContact O-N 3.12Å
367	Q	33.5	Very low	33	Very low	154 Å²	154	103.3 Å²	103.3	72%	0.72	55%	0.551	S	S	*	*			trans	-51.5	108.4	171.6	-74.2	176.7	-7.3	0	0	106.1	F365 K369	F365-Q367 PolarHBondContact O-N 3.05Å; Q367-K369 PolarHBondContact O-N 3.2Å
368	S	32.3	Very low	32.9	Very low	39 Å²	39	105.2 Å²	105.2	27%	0.273	55%	0.547	S	S	.	.			trans	-49.8	117	174	52.7	0	0	0	0	105.6	E366 L370	E366-S368 VanDerWaalsContact C-N 3.35Å; E366-S368 PolarHBondContact O-N 3.12Å; S368-L370 PolarHBondContact O-N 3.25Å
369	K	31.8	Very low	32.9	Very low	197 Å²	197	104.6 Å²	104.6	86%	0.857	56%	0.557	S	S	*	*	S	Bend	trans	-70.9	32.7	176.1	-73.7	179.5	-179.5	167.8	0	110.9	Q367 P371	Q367-K369 PolarHBondContact O-N 3.2Å; K369-P371 VanDerWaalsContact C-CD 3.44Å; K369-P371 WeakPolarHBondContact O-CD 3.44Å
370	L	28.3	Very low	32.6	Very low	102 Å²	102	106.6 Å²	106.6	53%	0.534	57%	0.568	S	S	.	*			trans	-89	94.4	161.3	-67.5	172	0	0	0	105.1	S368 C372	S368-L370 PolarHBondContact O-N 3.25Å; L370-C372 PolarHBondContact O-N 3.06Å
371	P	27.4	Very low	32.3	Very low	102 Å²	102	110.3 Å²	110.3	66%	0.662	58%	0.581	S	S	*	*			trans	-51.7	134.7	154.2	25.3	-31.3	0	0	0	105.6	K369 R373	K369-P371 VanDerWaalsContact C-CD 3.44Å; K369-P371 WeakPolarHBondContact O-CD 3.44Å; P371-R373 PolarHBondContact O-N 3.02Å
372	C	26.7	Very low	31.9	Very low	102 Å²	102	114.8 Å²	114.8	69%	0.689	60%	0.599	S	S	*	*			trans	-55.7	82.5	163.5	-63.5	0	0	0	0	107	L370 V374	L370-C372 PolarHBondContact O-N 3.06Å; C372-V374 VanDerWaalsContact C-N 3.26Å; C372-V374 PolarHBondContact O-N 3.45Å
373	R	24.9	Very low	31.4	Very low	198 Å²	198	122.9 Å²	122.9	75%	0.747	63%	0.628	S	S	*	*			trans	-81.4	93.8	176.9	-158.6	175.5	-174.3	159.3	1.8	102.4	P371 K375	P371-R373 PolarHBondContact O-N 3.02Å; R373-K375 HydrophobicContact CG-CG 4.12Å; R373-K375 PolarHBondContact O-N 3.39Å
374	V	24.2	Very low	30.5	Very low	129 Å²	129	129.7 Å²	129.7	78%	0.782	66%	0.659	S	S	*	*			trans	-56.6	84.4	159	-174.9	0	0	0	0	105.5	C372 P376	C372-V374 VanDerWaalsContact C-N 3.26Å; C372-V374 PolarHBondContact O-N 3.45Å; V374-P376 WeakPolarHBondContact O-CD 2.92Å
375	K	23.8	Very low	29.5	Very low	118 Å²	118	130.3 Å²	130.3	51%	0.513	68%	0.68	S	S	.	*			trans	-80.6	117	164.8	-79.2	-174	-179.7	173.6	0	104.9	R373 A377	R373-K375 HydrophobicContact CG-CG 4.12Å; R373-K375 PolarHBondContact O-N 3.39Å; K375-A377 PolarHBondContact O-N 2.85Å
376	P	24.1	Very low	28.5	Very low	110 Å²	110	137.8 Å²	137.8	71%	0.714	72%	0.715	S	S	*	*			trans	-56.8	135.5	164.5	23.8	-28.9	0	0	0	107.6	V374 F378	V374-P376 WeakPolarHBondContact O-CD 2.92Å; P376-F378 VanDerWaalsContact C-N 3.3Å; P376-F378 PolarHBondContact O-N 2.68Å
377	A	24.1	Very low	27.9	Very low	95 Å²	95	138.4 Å²	138.4	79%	0.785	73%	0.731	S	S	*	*	S	Bend	trans	-66.6	84.1	-173.6	0	0	0	0	0	111.3	K375	K375-A377 PolarHBondContact O-N 2.85Å
378	F	23.9	Very low	28.1	Very low	182 Å²	182	137.8 Å²	137.8	80%	0.798	73%	0.733	S	S	*	*			trans	-155.8	81.3	161	-72	-70.1	0	0	0	108	P376 L416	P376-F378 VanDerWaalsContact C-N 3.3Å; P376-F378 PolarHBondContact O-N 2.68Å; F378-L416 HydrophobicContact CE1-CD2 4.07Å
379	A	26.7	Very low	28.4	Very low	71 Å²	71	145.6 Å²	145.6	59%	0.587	77%	0.765	S	S	*	*			trans	-151.3	107.1	166.1	0	0	0	0	0	109.6	E381	A379-E381 PolarHBondContact O-N 3.35Å; A379-E381 VanDerWaalsContact O-N 3.09Å
380	V	25.4	Very low	29.1	Very low	144 Å²	144	141.3 Å²	141.3	87%	0.873	75%	0.751	S	S	*	*			trans	-53.2	105.1	162.5	174.6	0	0	0	0	107.9
381	E	31.3	Very low	29.8	Very low	147 Å²	147	138.9 Å²	138.9	69%	0.687	74%	0.736	S	S	*	*			trans	-92.2	114.5	167.2	-79.5	-172.5	176	0	0	108.6	A379 Y383	A379-E381 PolarHBondContact O-N 3.35Å; A379-E381 VanDerWaalsContact O-N 3.09Å; E381-Y383 PolarHBondContact O-N 3.43Å
382	Q	28.6	Very low	30.8	Very low	179 Å²	179	135.1 Å²	135.1	84%	0.836	71%	0.711	S	S	*	*			trans	-60.1	127.7	174.7	-69.8	174.3	-52.6	0	0	109.5	E384	Q382-E384 PolarHBondContact O-N 2.67Å; Q382-E384 VanDerWaalsContact O-N 3.08Å
383	Y	30.5	Very low	31.6	Very low	227 Å²	227	130.4 Å²	130.4	89%	0.89	68%	0.679	S	S	*	*			trans	-60.4	105.8	172.1	-72.4	-92.1	0	0	0	110.2	E381	E381-Y383 PolarHBondContact O-N 3.43Å
384	E	30.1	Very low	32.4	Very low	188 Å²	188	121.3 Å²	121.3	88%	0.879	65%	0.646	S	S	*	*			trans	-84.2	112	153.1	-75.5	-169.6	159.4	0	0	107.6	Q382 E386	Q382-E384 PolarHBondContact O-N 2.67Å; Q382-E384 VanDerWaalsContact O-N 3.08Å; E384-E386 PolarHBondContact O-N 3.11Å; E384-E386 VanDerWaalsContact O-N 3.08Å
385	S	27.6	Very low	33.4	Very low	120 Å²	120	118.8 Å²	118.8	84%	0.839	63%	0.634	S	S	*	*			trans	-68.2	96.6	-178.7	-51.3	0	0	0	0	111
386	E	30.4	Very low	34.3	Very low	181 Å²	181	117.9 Å²	117.9	85%	0.846	63%	0.632	S	S	*	*			trans	-98.3	113.8	154.5	-75.4	-171.4	160.1	0	0	108.6	E384 D388	E384-E386 PolarHBondContact O-N 3.11Å; E384-E386 VanDerWaalsContact O-N 3.08Å; E386-D388 VanDerWaalsContact C-N 3.3Å; E386-D388 PolarHBondContact O-N 2.65Å
387	S	29.9	Very low	35.2	Very low	121 Å²	121	116.1 Å²	116.1	85%	0.846	62%	0.616	S	S	*	*			trans	-76.6	78.5	177.1	55.1	0	0	0	0	110.2
388	D	38.7	Very low	35.9	Very low	142 Å²	142	114.5 Å²	114.5	76%	0.759	59%	0.594	S	S	*	*			trans	-119.3	111.4	153.1	-87.3	-26.1	0	0	0	105.7	E386 L390	E386-D388 VanDerWaalsContact C-N 3.3Å; E386-D388 PolarHBondContact O-N 2.65Å; D388-L390 PolarHBondContact O-N 3.41Å
389	E	38.6	Very low	36.7	Very low	202 Å²	202	109.1 Å²	109.1	94%	0.944	58%	0.578	S	S	*	*			trans	-62	81	174.3	-74.8	-173.2	159	0	0	109.3	F391	E389-F391 VanDerWaalsContact C-N 3.29Å; E389-F391 PolarHBondContact O-N 3Å
390	L	44.9	Very low	37.6	Very low	107 Å²	107	114.8 Å²	114.8	56%	0.56	59%	0.59	S	S	*	*			trans	-65.3	94.8	170.5	-176.7	67.2	0	0	0	106.4	A48 R49 D388 D392	A48-L390 HydrophobicContact CB-CD2 3.98Å; A48-L390 HydrophobicContact CB-CG 4.36Å; R49-L390 HydrophobicContact CG-CD2 4.44Å; D388-L390 PolarHBondContact O-N 3.41Å; L390-D392 PolarHBondContact O-N 3.4Å
391	F	42.9	Very low	38.4	Very low	51 Å²	51	115 Å²	115	22%	0.224	58%	0.579	C	S	.	*			trans	-45.9	113.4	174.1	177.4	-106.2	0	0	0	109.2	K16 E389 P393	K16-F391 HydrophobicContact CB-CD1 4.05Å; K16-F391 HydrophobicContact CB-CE1 4.16Å; K16-F391 HydrophobicContact CD-CB 4.31Å; K16-F391 HydrophobicContact CD-CD1 3.87Å; K16-F391 HydrophobicContact CD-CD2 4.25Å; K16-F391 HydrophobicContact CD-CE1 4.19Å; K16-F391 HydrophobicContact CD-CG 3.91Å; E389-F391 VanDerWaalsContact C-N 3.29Å; E389-F391 PolarHBondContact O-N 3Å; F391-P393 VanDerWaalsContact C-CD 3.47Å; F391-P393 HydrophobicContact CD1-CB 4.22Å; F391-P393 HydrophobicContact CD1-CG 4.12Å; F391-P393 HydrophobicContact CE1-CB 3.6Å; F391-P393 HydrophobicContact CE1-CG 3.96Å; F391-P393 HydrophobicContact CZ-CB 4.19Å; F391-P393 WeakPolarHBondContact O-CD 3.47Å
392	D	50.3	Low	38.9	Very low	24 Å²	24	109.9 Å²	109.9	13%	0.128	56%	0.559	C	S	.	*			trans	-97	91.5	172.1	-177.3	-1.5	0	0	0	108.5	A48 N51 L390 A394 S395	A48-D392 HydrophobicContact CB-CB 3.69Å; N51-D392 PolarHBondContact OD1-OD1 3.49Å; L390-D392 PolarHBondContact O-N 3.4Å; D392-A394 PolarHBondContact O-N 3.43Å; D392-A394 VanDerWaalsContact OD1-CA 3.3Å; D392-A394 WeakPolarHBondContact OD1-CA 3.19Å; D392-A394 WeakPolarHBondContact OD1-CB 3.46Å; D392-A394 PolarHBondContact OD1-N 3.13Å; D392-S395 VanDerWaalsContact CG-N 3.32Å; D392-S395 VanDerWaalsContact CG-OG 3.23Å; D392-S395 WeakPolarHBondContact O-CB 3.46Å; D392-S395 PolarHBondContact O-N 3.36Å; D392-S395 VanDerWaalsContact O-N 3.07Å; D392-S395 PolarHBondContact OD1-N 3.31Å; D392-S395 WeakPolarHBondContact OD2-CB 3.49Å; D392-S395 PolarHBondContact OD2-N 3.32Å; D392-S395 PolarHBondContact OD2-OG 2.93Å
393	P	42	Very low	39.5	Very low	2 Å²	2	103.2 Å²	103.2	1%	0.013	54%	0.535	C	S	.	.	H	α-helix	trans	-60.3	-25	173.8	20.5	-28.4	0	0	0	112.3	F168 F391 S395 Q396 L397	F168-P393 HydrophobicContact CD2-CB 4.47Å; F168-P393 HydrophobicContact CD2-CG 4.3Å; F168-P393 HydrophobicContact CE2-CB 4.07Å; F168-P393 HydrophobicContact CE2-CG 3.5Å; F168-P393 HydrophobicContact CZ-CB 4.49Å; F168-P393 HydrophobicContact CZ-CG 3.94Å; F391-P393 VanDerWaalsContact C-CD 3.47Å; F391-P393 HydrophobicContact CD1-CB 4.22Å; F391-P393 HydrophobicContact CD1-CG 4.12Å; F391-P393 HydrophobicContact CE1-CB 3.6Å; F391-P393 HydrophobicContact CE1-CG 3.96Å; F391-P393 HydrophobicContact CZ-CB 4.19Å; F391-P393 WeakPolarHBondContact O-CD 3.47Å; P393-S395 VanDerWaalsContact C-N 3.33Å; P393-Q396 PolarHBondContact O-N 3.24Å; P393-L397 PolarHBondContact O-N 2.84Å; P393-L397 VanDerWaalsContact O-N 3.16Å
394	A	43.1	Very low	40.1	Very low	7 Å²	7	96.9 Å²	96.9	6%	0.058	51%	0.514	C	S	.	.	H	α-helix	trans	-68.9	-34.6	175	0	0	0	0	0	111.2	V46 F168 D392 Q396 L397 L398	V46-A394 HydrophobicContact CG1-CB 3.67Å; F168-A394 HydrophobicContact CE1-CB 4.43Å; F168-A394 HydrophobicContact CZ-CB 4.48Å; D392-A394 PolarHBondContact O-N 3.43Å; D392-A394 VanDerWaalsContact OD1-CA 3.3Å; D392-A394 WeakPolarHBondContact OD1-CA 3.19Å; D392-A394 WeakPolarHBondContact OD1-CB 3.46Å; D392-A394 PolarHBondContact OD1-N 3.13Å; A394-Q396 PolarHBondContact O-N 2.86Å; A394-L397 PolarHBondContact O-N 3.13Å; A394-L397 VanDerWaalsContact O-N 3.13Å; A394-L398 PolarHBondContact O-N 2.79Å
395	S	44.5	Very low	40.8	Very low	77 Å²	77	95.4 Å²	95.4	54%	0.538	50%	0.5	S	S	.	.	H	α-helix	trans	-63.1	-23	171.1	-77.4	0	0	0	0	113.7	D392 P393 L398	D392-S395 VanDerWaalsContact CG-N 3.32Å; D392-S395 VanDerWaalsContact CG-OG 3.23Å; D392-S395 WeakPolarHBondContact O-CB 3.46Å; D392-S395 PolarHBondContact O-N 3.36Å; D392-S395 VanDerWaalsContact O-N 3.07Å; D392-S395 PolarHBondContact OD1-N 3.31Å; D392-S395 WeakPolarHBondContact OD2-CB 3.49Å; D392-S395 PolarHBondContact OD2-N 3.32Å; D392-S395 PolarHBondContact OD2-OG 2.93Å; P393-S395 VanDerWaalsContact C-N 3.33Å; S395-L398 VanDerWaalsContact O-O 3.11Å
396	Q	43.6	Very low	41.6	Very low	98 Å²	98	93.1 Å²	93.1	46%	0.458	48%	0.481	S	S	.	.	H	α-helix	trans	-89.9	-20.8	172.7	-64.9	-164.1	8.2	0	0	113.8	P393 A394	P393-Q396 PolarHBondContact O-N 3.24Å; A394-Q396 PolarHBondContact O-N 2.86Å
397	L	42.3	Very low	42.2	Very low	73 Å²	73	87.1 Å²	87.1	38%	0.382	46%	0.462	S	S	.	.	H	α-helix	trans	-79.7	-27.3	174.4	-77.2	165.4	0	0	0	112.1	R163 F168 P393 A394	R163-L397 HydrophobicContact CB-CD2 4.22Å; R163-L397 HydrophobicContact CG-CD2 3.83Å; F168-L397 HydrophobicContact CB-CD1 4.15Å; F168-L397 HydrophobicContact CD1-CD1 3.84Å; F168-L397 HydrophobicContact CE1-CD1 4.35Å; F168-L397 HydrophobicContact CG-CD1 4.14Å; P393-L397 PolarHBondContact O-N 2.84Å; P393-L397 VanDerWaalsContact O-N 3.16Å; A394-L397 PolarHBondContact O-N 3.13Å; A394-L397 VanDerWaalsContact O-N 3.13Å
398	L	39	Very low	42.8	Very low	62 Å²	62	88.7 Å²	88.7	33%	0.325	45%	0.449	S	S	.	.	S	Bend	trans	-92.1	104.8	169.4	-63.6	166.5	0	0	0	108.4	A394 S395 K400 S402 A403	A394-L398 PolarHBondContact O-N 2.79Å; S395-L398 VanDerWaalsContact O-O 3.11Å; L398-K400 PolarHBondContact O-N 3.37Å; L398-S402 WeakPolarHBondContact CA-OG 3.22Å; L398-A403 HydrophobicContact CB-CB 3.8Å; L398-A403 HydrophobicContact CD1-CB 4.2Å
399	S	39.8	Very low	43.1	Very low	68 Å²	68	88.3 Å²	88.3	48%	0.476	44%	0.437	S	S	.	.			trans	-42.2	139.1	157.3	173.1	0	0	0	0	108.1	K401 S402 A403	S399-K401 CarbonylContact O-C 3.48Å; S399-K401 PolarHBondContact O-N 2.85Å; S399-K401 PolarHBondContact OG-N 2.73Å; S399-S402 WeakPolarHBondContact CB-OG 3.01Å; S399-S402 PolarHBondContact N-OG 3.39Å; S399-S402 WeakPolarHBondContact O-CA 3.44Å; S399-S402 PolarHBondContact O-N 2.88Å; S399-S402 PolarHBondContact O-OG 3.07Å; S399-S402 VanDerWaalsContact O-OG 3.1Å; S399-A403 PolarHBondContact O-N 2.84Å
400	K	45.5	Very low	43.5	Very low	190 Å²	190	84.7 Å²	84.7	83%	0.826	42%	0.419	S	S	*	.	H	α-helix	trans	-44.1	-34.6	173.4	-143	177	-174.8	-179.1	0	110.9	L398 E404	L398-K400 PolarHBondContact O-N 3.37Å; K400-E404 WeakPolarHBondContact O-CB 2.82Å; K400-E404 PolarHBondContact O-N 2.94Å
401	K	42.7	Very low	43.6	Very low	150 Å²	150	88.3 Å²	88.3	65%	0.652	43%	0.43	S	S	*	.	H	α-helix	trans	-70.4	-36.7	172.8	-70.6	-177.9	174.8	179.5	0	115.4	S399 R405	S399-K401 CarbonylContact O-C 3.48Å; S399-K401 PolarHBondContact O-N 2.85Å; S399-K401 PolarHBondContact OG-N 2.73Å; K401-R405 WeakPolarHBondContact O-CB 3.33Å; K401-R405 PolarHBondContact O-N 2.86Å
402	S	41.5	Very low	43.6	Very low	38 Å²	38	94.2 Å²	94.2	27%	0.266	46%	0.458	S	S	.	.	H	α-helix	trans	-79.1	-36.2	176.2	41.1	0	0	0	0	113	L398 S399 E404 R405 V406	L398-S402 WeakPolarHBondContact CA-OG 3.22Å; S399-S402 WeakPolarHBondContact CB-OG 3.01Å; S399-S402 PolarHBondContact N-OG 3.39Å; S399-S402 WeakPolarHBondContact O-CA 3.44Å; S399-S402 PolarHBondContact O-N 2.88Å; S399-S402 PolarHBondContact O-OG 3.07Å; S399-S402 VanDerWaalsContact O-OG 3.1Å; S402-E404 VanDerWaalsContact C-N 3.34Å; S402-R405 PolarHBondContact O-N 2.81Å; S402-V406 VanDerWaalsContact O-CG2 3.28Å; S402-V406 WeakPolarHBondContact O-CG2 2.98Å; S402-V406 PolarHBondContact O-N 2.73Å
403	A	41.8	Very low	43.2	Very low	40 Å²	40	96.8 Å²	96.8	33%	0.331	48%	0.475	S	S	.	.	H	α-helix	trans	-60.1	-45.4	168.6	0	0	0	0	0	111	L398 S399 R405 V406 A407	L398-A403 HydrophobicContact CB-CB 3.8Å; L398-A403 HydrophobicContact CD1-CB 4.2Å; S399-A403 PolarHBondContact O-N 2.84Å; A403-R405 PolarHBondContact O-N 3.07Å; A403-V406 PolarHBondContact O-N 3.26Å; A403-A407 WeakPolarHBondContact O-CB 3.37Å; A403-A407 PolarHBondContact O-N 3.47Å
404	E	43.7	Very low	42.8	Very low	93 Å²	93	100.7 Å²	100.7	44%	0.435	52%	0.515	S	S	.	.	H	α-helix	trans	-69	-33.4	177.6	-161	-179.2	179.8	0	0	112.3	K400 S402 A407 R408	K400-E404 WeakPolarHBondContact O-CB 2.82Å; K400-E404 PolarHBondContact O-N 2.94Å; S402-E404 VanDerWaalsContact C-N 3.34Å; E404-A407 PolarHBondContact O-N 3.19Å; E404-R408 VanDerWaalsContact CD-NH2 3.29Å; E404-R408 VanDerWaalsContact O-CB 3.31Å; E404-R408 WeakPolarHBondContact O-CB 3.38Å; E404-R408 VanDerWaalsContact O-CG 3.25Å; E404-R408 WeakPolarHBondContact O-CG 3.12Å; E404-R408 PolarHBondContact O-N 3.08Å; E404-R408 IonicContact OE1-CZ 3.57Å; E404-R408 IonicContact OE1-NE 3.3Å; E404-R408 IonicContact OE1-NH2 2.73Å; E404-R408 PolarHBondContact OE1-NH2 3.39Å; E404-R408 IonicContact OE2-NH2 3.74Å
405	R	44.3	Very low	42.6	Very low	158 Å²	158	107.6 Å²	107.6	60%	0.596	55%	0.549	S	S	*	.	H	α-helix	trans	-70.5	-34.5	175.1	-161.8	-175.1	-65.8	167.9	-4.9	112.3	K401 S402 A403 R409	K401-R405 WeakPolarHBondContact O-CB 3.33Å; K401-R405 PolarHBondContact O-N 2.86Å; S402-R405 PolarHBondContact O-N 2.81Å; A403-R405 PolarHBondContact O-N 3.07Å; R405-R409 PolarHBondContact O-N 3.03Å; R405-R409 VanDerWaalsContact O-N 3.1Å
406	V	43.7	Very low	42.2	Very low	71 Å²	71	110.1 Å²	110.1	43%	0.43	56%	0.556	S	S	.	*	H	α-helix	trans	-69.5	-46.6	171.3	173.9	0	0	0	0	110	S402 A403 R408 R409 F410	S402-V406 VanDerWaalsContact O-CG2 3.28Å; S402-V406 WeakPolarHBondContact O-CG2 2.98Å; S402-V406 PolarHBondContact O-N 2.73Å; A403-V406 PolarHBondContact O-N 3.26Å; V406-R408 PolarHBondContact O-N 3.15Å; V406-R409 PolarHBondContact O-N 3.43Å; V406-R409 VanDerWaalsContact O-N 3.15Å; V406-F410 HydrophobicContact CG1-CD2 3.99Å; V406-F410 HydrophobicContact CG1-CE2 3.78Å; V406-F410 VanDerWaalsContact O-CD2 3.23Å; V406-F410 WeakPolarHBondContact O-CD2 2.86Å; V406-F410 PolarHBondContact O-N 2.66Å
407	A	42.4	Very low	41.6	Very low	55 Å²	55	114.3 Å²	114.3	46%	0.455	58%	0.576	S	S	.	*	H	α-helix	trans	-61.9	-39	176.7	0	0	0	0	0	113.1	A403 E404 F410 K411	A403-A407 WeakPolarHBondContact O-CB 3.37Å; A403-A407 PolarHBondContact O-N 3.47Å; E404-A407 PolarHBondContact O-N 3.19Å; A407-F410 PolarHBondContact O-N 3.03Å; A407-K411 PolarHBondContact O-N 2.71Å; A407-K411 VanDerWaalsContact O-N 3.14Å
408	R	44.2	Very low	41.3	Very low	154 Å²	154	116.6 Å²	116.6	58%	0.581	59%	0.593	S	S	*	*	H	α-helix	trans	-68.8	-33.7	174	-74.1	-175.4	-158	176	4.6	112.6	E404 V406 F410 K411 H412	E404-R408 VanDerWaalsContact CD-NH2 3.29Å; E404-R408 VanDerWaalsContact O-CB 3.31Å; E404-R408 WeakPolarHBondContact O-CB 3.38Å; E404-R408 VanDerWaalsContact O-CG 3.25Å; E404-R408 WeakPolarHBondContact O-CG 3.12Å; E404-R408 PolarHBondContact O-N 3.08Å; E404-R408 IonicContact OE1-CZ 3.57Å; E404-R408 IonicContact OE1-NE 3.3Å; E404-R408 IonicContact OE1-NH2 2.73Å; E404-R408 PolarHBondContact OE1-NH2 3.39Å; E404-R408 IonicContact OE2-NH2 3.74Å; V406-R408 PolarHBondContact O-N 3.15Å; R408-F410 VanDerWaalsContact C-N 3.3Å; R408-F410 PolarHBondContact O-N 3.23Å; R408-K411 PolarHBondContact O-N 3.24Å; R408-H412 PolarHBondContact O-N 3.23Å
409	R	43.7	Very low	41	Very low	134 Å²	134	122 Å²	122	51%	0.506	62%	0.617	S	S	.	*	H	α-helix	trans	-64.2	-34.5	173.8	-90.2	-172.2	177.5	-177.5	-0.4	112.1	R405 V406	R405-R409 PolarHBondContact O-N 3.03Å; R405-R409 VanDerWaalsContact O-N 3.1Å; V406-R409 PolarHBondContact O-N 3.43Å; V406-R409 VanDerWaalsContact O-N 3.15Å
410	F	48	Very low	40.9	Very low	126 Å²	126	128.3 Å²	128.3	55%	0.553	64%	0.638	S	S	*	*	H	α-helix	trans	-80.2	-24	176.4	-74.7	-73	0	0	0	114.1	V406 A407 R408 H412 T413	V406-F410 HydrophobicContact CG1-CD2 3.99Å; V406-F410 HydrophobicContact CG1-CE2 3.78Å; V406-F410 VanDerWaalsContact O-CD2 3.23Å; V406-F410 WeakPolarHBondContact O-CD2 2.86Å; V406-F410 PolarHBondContact O-N 2.66Å; A407-F410 PolarHBondContact O-N 3.03Å; R408-F410 VanDerWaalsContact C-N 3.3Å; R408-F410 PolarHBondContact O-N 3.23Å; F410-H412 VanDerWaalsContact C-N 3.26Å; F410-H412 PolarHBondContact O-N 2.67Å; F410-T413 PolarHBondContact O-OG1 2.93Å; F410-T413 VanDerWaalsContact O-OG1 3.06Å
411	K	45.6	Very low	40.6	Very low	184 Å²	184	126.1 Å²	126.1	80%	0.8	63%	0.631	S	S	*	*	H	α-helix	trans	-73	-12.4	171.7	-83.8	-170.3	174.2	-171.4	0	114.6	A407 R408	A407-K411 PolarHBondContact O-N 2.71Å; A407-K411 VanDerWaalsContact O-N 3.14Å; R408-K411 PolarHBondContact O-N 3.24Å
412	H	43.2	Very low	40.5	Very low	175 Å²	175	126.6 Å²	126.6	81%	0.81	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.3	2.2	177.6	-74.6	-9.3	0	0	0	113.9	R408 F410 G414	R408-H412 PolarHBondContact O-N 3.23Å; F410-H412 VanDerWaalsContact C-N 3.26Å; F410-H412 PolarHBondContact O-N 2.67Å; H412-G414 PolarHBondContact O-N 2.79Å
413	T	42.6	Very low	40.3	Very low	78 Å²	78	129.4 Å²	129.4	48%	0.479	66%	0.661	S	S	.	*	S	Bend	trans	-96	68.6	170.1	54.7	0	0	0	0	109.9	F410 I415	F410-T413 PolarHBondContact O-OG1 2.93Å; F410-T413 VanDerWaalsContact O-OG1 3.06Å; T413-I415 PolarHBondContact O-N 3.14Å
414	G	33.8	Very low	40.3	Very low	83 Å²	83	135 Å²	135	86%	0.856	69%	0.686	S	S	*	*	S	Bend	trans	17.5	24.6	160.4	0	0	0	0	0	123.4	H412	H412-G414 PolarHBondContact O-N 2.79Å
415	I	38.1	Very low	40.2	Very low	152 Å²	152	136 Å²	136	78%	0.779	70%	0.702	S	S	*	*			trans	-127.3	64.7	-176.4	-52.3	172.8	0	0	0	106.2	T413	T413-I415 PolarHBondContact O-N 3.14Å
416	L	36.2	Very low	40.1	Very low	130 Å²	130	133.8 Å²	133.8	68%	0.681	71%	0.712	S	S	*	*			trans	169.1	84.2	155.8	-94.4	160.5	0	0	0	107.3	F378 T418	F378-L416 HydrophobicContact CE1-CD2 4.07Å; L416-T418 PolarHBondContact O-N 2.87Å
417	E	31.5	Very low	40.6	Very low	187 Å²	187	138.6 Å²	138.6	87%	0.874	73%	0.729	S	S	*	*			trans	-89.2	90.6	164.9	-163.5	171.6	-151.6	0	0	106.3
418	T	36.6	Very low	40.8	Very low	120 Å²	120	142.6 Å²	142.6	74%	0.736	74%	0.743	S	S	*	*			trans	-106.1	108.9	155.9	45.9	0	0	0	0	106.6	L416 E420	L416-T418 PolarHBondContact O-N 2.87Å; T418-E420 PolarHBondContact O-N 2.81Å
419	Q	31.5	Very low	41.2	Very low	177 Å²	177	142 Å²	142	83%	0.827	75%	0.751	S	S	*	*			trans	-46.3	117	174.6	-69.6	169.5	-17.9	0	0	111.4
420	E	38.9	Very low	41.5	Very low	199 Å²	199	142.6 Å²	142.6	93%	0.93	76%	0.764	S	S	*	*			trans	-137	89.3	144.6	-153.2	169	-158	0	0	105.4	T418	T418-E420 PolarHBondContact O-N 2.81Å
421	E	39.6	Very low	41.7	Very low	145 Å²	145	143.1 Å²	143.1	68%	0.678	77%	0.773	S	S	*	*			trans	-86.6	136.8	179.5	-101.5	-168.2	136	0	0	110.7
422	Q	38.7	Very low	41.9	Very low	159 Å²	159	140.4 Å²	140.4	74%	0.743	77%	0.767	S	S	*	*			trans	75.8	102.9	138.8	-66.8	172.1	9.2	0	0	120
423	A	38.6	Very low	42.2	Very low	98 Å²	98	138.7 Å²	138.7	81%	0.81	76%	0.764	S	S	*	*				-166.6	93.3	122.3	0	0	0	0	0	105.8
424	D	42.1	Very low	42.4	Very low	158 Å²	158	144 Å²	144	85%	0.845	78%	0.784	S	S	*	*				48.5	93.1	73.2	-149.1	20.9	0	0	0	113.8
425	S	41.7	Very low	42.9	Very low	112 Å²	112	148.6 Å²	148.6	78%	0.783	78%	0.783	S	S	*	*			trans	-174.3	122.6	130.3	64.5	0	0	0	0	111.3
426	S	41.9	Very low	43.4	Very low	113 Å²	113	148.8 Å²	148.8	79%	0.79	78%	0.78	S	S	*	*			trans	-54.2	145.6	166.7	52.7	0	0	0	0	114.8
427	H	54.5	Low	43.8	Very low	171 Å²	171	149.9 Å²	149.9	79%	0.792	78%	0.782	S	S	*	*			trans	-166.3	114.2	131.3	-152.2	3.8	0	0	0	109.7
428	D	46.8	Very low	44.6	Very low	139 Å²	139	147.2 Å²	147.2	74%	0.743	77%	0.773	S	S	*	*			trans	-68	140.5	154.6	-66.2	-48.8	0	0	0	108.5
429	D	52.7	Low	45.3	Very low	143 Å²	143	149.8 Å²	149.8	77%	0.765	78%	0.777	S	S	*	*				-177.8	143.5	123.4	-84.9	-29.7	0	0	0	109.7
430	D	49.5	Very low	46	Very low	145 Å²	145	148.8 Å²	148.8	78%	0.775	78%	0.778	S	S	*	*			trans	-68	179	-177.2	-65.4	-62.1	0	0	0	113.6
431	D	52	Low	46.5	Very low	137 Å²	137	147 Å²	147	73%	0.733	78%	0.775	S	S	*	*			trans	99.5	107	155	-56.9	-22.2	0	0	0	117.7
432	D	49.3	Very low	46.9	Very low	128 Å²	128	147.4 Å²	147.4	68%	0.684	78%	0.781	S	S	*	*				67.1	112.8	122.1	-60.2	-14.2	0	0	0	119.8
433	D	49.7	Very low	47.2	Very low	139 Å²	139	143.1 Å²	143.1	74%	0.743	78%	0.78	S	S	*	*				71	136	123.7	-64	-23.2	0	0	0	120.9
434	E	47	Very low	47.3	Very low	190 Å²	190	141.7 Å²	141.7	89%	0.888	78%	0.775	S	S	*	*			trans	105.1	136.3	149.6	-53.1	-134.9	176.6	0	0	118.3
435	E	44.8	Very low	47.5	Very low	179 Å²	179	146 Å²	146	84%	0.836	78%	0.779	S	S	*	*			trans	-83.4	-175.8	-165.9	-55.2	-174.4	153	0	0	111.5
436	E	47.8	Very low	47.4	Very low	155 Å²	155	148 Å²	148	72%	0.724	78%	0.781	S	S	*	*			trans	96.3	100.2	161.5	-49.9	-141.3	-179.8	0	0	115
437	E	45.4	Very low	47.8	Very low	153 Å²	153	148.7 Å²	148.7	72%	0.715	79%	0.786	S	S	*	*				92.5	113.8	84.1	-81.4	-174.4	-172.5	0	0	111.3
438	D	47.3	Very low	47.1	Very low	131 Å²	131	148 Å²	148	70%	0.701	79%	0.788	S	S	*	*			trans	82.7	141.4	132.6	-63.4	-12.1	0	0	0	123.7
439	E	51	Low	47.3	Very low	174 Å²	174	146.4 Å²	146.4	81%	0.813	79%	0.788	S	S	*	*			trans	89.9	98.8	151.3	-72.9	170.4	-163.6	0	0	120.6
440	D	46.1	Very low	47.2	Very low	157 Å²	157	145.5 Å²	145.5	84%	0.84	79%	0.787	S	S	*	*				30.6	126.4	120.3	-55.2	-26.6	0	0	0	119.4
441	D	50.6	Low	46.8	Very low	162 Å²	162	145.5 Å²	145.5	87%	0.866	79%	0.787	S	S	*	*				-176.4	156.1	112.3	-147.8	4.1	0	0	0	113.8
442	D	48.3	Very low	46.6	Very low	152 Å²	152	144.7 Å²	144.7	81%	0.813	79%	0.792	S	S	*	*			trans	-45	162	-178.7	-168.8	19.5	0	0	0	120.2
443	G	43.3	Very low	46	Very low	70 Å²	70	146 Å²	146	72%	0.722	80%	0.799	S	S	*	*			trans	153.4	79.7	157.9	0	0	0	0	0	117.1
444	G	41.9	Very low	45.7	Very low	68 Å²	68	144.2 Å²	144.2	70%	0.701	80%	0.804	S	S	*	*			trans	-75.5	158.7	168.7	0	0	0	0	0	114.9
445	R	45.7	Very low	45.3	Very low	249 Å²	249	142.6 Å²	142.6	94%	0.94	80%	0.801	S	S	*	*			trans	-179.2	137	139.2	-106.7	169.4	174.2	161.7	0.7	113.9
446	D	41	Very low	45.2	Very low	153 Å²	153	141.9 Å²	141.9	82%	0.818	80%	0.803	S	S	*	*			trans	-67.4	156.4	177	-52.1	-67.7	0	0	0	114.4
447	S	48.6	Very low	44.8	Very low	128 Å²	128	143 Å²	143	90%	0.895	81%	0.808	S	S	*	*			trans	-159.5	123.8	148.2	-76.3	0	0	0	0	111.9
448	D	41.1	Very low	44.4	Very low	157 Å²	157	140.6 Å²	140.6	84%	0.84	81%	0.808	S	S	*	*			trans	-64.9	156	172	-66.2	-55.4	0	0	0	113.4
449	S	49.4	Very low	44	Very low	104 Å²	104	138.9 Å²	138.9	73%	0.727	81%	0.807	S	S	*	*				157.3	135.5	109.8	60.9	0	0	0	0	116.1
450	V	51.1	Low	43.3	Very low	125 Å²	125	139.2 Å²	139.2	76%	0.758	81%	0.808	S	S	*	*			trans	68.1	118	138.6	-62.3	0	0	0	0	124.8
451	D	41.9	Very low	42.6	Very low	145 Å²	145	137.4 Å²	137.4	78%	0.775	80%	0.803	S	S	*	*				48.2	127.3	127.8	-78.5	-28.9	0	0	0	121.9
452	S	47.3	Very low	42	Very low	119 Å²	119	137.5 Å²	137.5	83%	0.832	80%	0.801	S	S	*	*				174.5	141.1	94.7	38.3	0	0	0	0	113.5
453	N	37	Very low	41.4	Very low	155 Å²	155	138 Å²	138	83%	0.829	80%	0.804	S	S	*	*			trans	-73.1	154.2	176.5	-67.6	-55.2	0	0	0	113.2
454	A	42.4	Very low	41	Very low	102 Å²	102	145.3 Å²	145.3	84%	0.843	81%	0.81	S	S	*	*			trans	-149.5	112.6	152.3	0	0	0	0	0	111.2
455	D	40.1	Very low	40.7	Very low	157 Å²	157	151.3 Å²	151.3	84%	0.84	82%	0.82	S	S	*	*			trans	-73.8	150.8	166.1	-63.5	-56.6	0	0	0	110.9
456	N	42.4	Very low	40.2	Very low	164 Å²	164	145 Å²	145	88%	0.877	81%	0.808	S	S	*	*			trans	-151.2	132.4	146.8	-151.7	8.8	0	0	0	113.2
457	E	38.6	Very low	40	Very low	177 Å²	177	142.5 Å²	142.5	83%	0.827	80%	0.801	S	S	*	*			trans	-81.9	167.8	-178.1	-61.2	-179.4	113.8	0	0	113.2
458	S	38.3	Very low	39	Very low	103 Å²	103	145 Å²	145	72%	0.72	80%	0.798	S	S	*	*			trans	152.3	98.6	135.2	168.5	0	0	0	0	111.7
459	S	37.1	Very low	38.6	Very low	95 Å²	95	143.8 Å²	143.8	66%	0.664	80%	0.796	S	S	*	*				76.6	113.8	98.6	-52	0	0	0	0	116.4
460	H	38	Very low	37.7	Very low	182 Å²	182	148 Å²	148	84%	0.843	80%	0.801	S	S	*	*				171.9	131.1	106.8	-97.5	-68.8	0	0	0	113.2
461	T	31.2	Very low	36.9	Very low	119 Å²	119	150.4 Å²	150.4	73%	0.73	80%	0.804	S	S	*	*			trans	-66.8	153.5	168.8	47.7	0	0	0	0	113.5
462	I	38.3	Very low	36.2	Very low	163 Å²	163	151 Å²	151	84%	0.836	81%	0.807	S	S	*	*			trans	-162.2	117.8	135.1	-87.9	140.4	0	0	0	108.6
463	D	34.6	Very low	35.6	Very low	162 Å²	162	151.9 Å²	151.9	87%	0.866	80%	0.801	S	S	*	*			trans	-73.8	143.3	160.7	-77.8	-51.3	0	0	0	110.6
464	R	35.7	Very low	35.1	Very low	225 Å²	225	153.9 Å²	153.9	85%	0.849	81%	0.806	S	S	*	*			trans	-153.2	97.3	156.7	-148.2	173.5	178	127.9	-2.4	112.3	V466	R464-V466 HydrophobicContact CG-CG2 4.36Å
465	E	35.3	Very low	34.7	Very low	193 Å²	193	155.5 Å²	155.5	90%	0.902	80%	0.799	S	S	*	*			trans	-75.7	137.6	154.2	-65.7	-176.1	153.4	0	0	109.6
466	V	35.2	Very low	34.1	Very low	116 Å²	116	154.6 Å²	154.6	70%	0.703	79%	0.794	S	S	*	*			trans	-141.2	129.8	157.5	-179.5	0	0	0	0	108.6	R464	R464-V466 HydrophobicContact CG-CG2 4.36Å
467	P	35.4	Very low	33.6	Very low	101 Å²	101	154.8 Å²	154.8	66%	0.656	79%	0.79	S	S	*	*			trans	-97.8	166.6	-176	38.3	-33.9	0	0	0	113.8
468	H	28.5	Very low	33.1	Very low	180 Å²	180	154.3 Å²	154.3	83%	0.833	79%	0.787	S	S	*	*			trans	51.1	130.2	151.6	-80.8	-58.2	0	0	0	120.4
469	V	32.3	Very low	32.8	Very low	132 Å²	132	158 Å²	158	80%	0.8	79%	0.793	S	S	*	*				-176.3	130.4	113.3	153	0	0	0	0	108.9
470	K	31.8	Very low	32.4	Very low	192 Å²	192	161.3 Å²	161.3	84%	0.835	80%	0.803	S	S	*	*			trans	-73.4	140.4	167.8	-73	176.7	171.7	-175.4	0	109.5
471	Q	33.3	Very low	32	Very low	176 Å²	176	157.2 Å²	157.2	82%	0.822	80%	0.8	S	S	*	*			trans	-155.7	119.2	149.1	-116.8	168.6	3.9	0	0	110.4
472	D	28.2	Very low	32.1	Very low	157 Å²	157	157.4 Å²	157.4	84%	0.84	80%	0.804	S	S	*	*			trans	-64.9	134.2	168.6	-55.3	-62.9	0	0	0	109.9
473	I	34.2	Very low	31.5	Very low	139 Å²	139	157.8 Å²	157.8	71%	0.713	80%	0.804	S	S	*	*			trans	-139.1	104.7	161.9	-58.3	-178	0	0	0	107.8	I475	I473-I475 HydrophobicContact CG2-CD1 4.07Å; I473-I475 HydrophobicContact CG2-CG1 3.66Å
474	E	26.4	Very low	31.5	Very low	197 Å²	197	158 Å²	158	92%	0.921	80%	0.804	S	S	*	*			trans	-64.1	128.8	157.7	-74.6	175.7	142.9	0	0	108.9
475	I	34.5	Very low	31.4	Very low	136 Å²	136	153.5 Å²	153.5	70%	0.697	80%	0.796	S	S	*	*			trans	-128.1	109.4	163.5	-48.3	-178.1	0	0	0	107.9	I473 E477	I473-I475 HydrophobicContact CG2-CD1 4.07Å; I473-I475 HydrophobicContact CG2-CG1 3.66Å; I475-E477 HydrophobicContact CG2-CG 4.26Å
476	N	26.5	Very low	31.3	Very low	137 Å²	137	152.4 Å²	152.4	73%	0.733	80%	0.796	S	S	*	*			trans	-87.1	114	173	-177.4	29.1	0	0	0	107.6
477	E	33.1	Very low	31.8	Very low	169 Å²	169	153.6 Å²	153.6	79%	0.79	80%	0.797	S	S	*	*			trans	-131.9	102.3	167.6	-77.5	-168.8	164.7	0	0	110.7	I475	I475-E477 HydrophobicContact CG2-CG 4.26Å
478	Q	26.6	Very low	32.2	Very low	166 Å²	166	153.5 Å²	153.5	78%	0.776	79%	0.791	S	S	*	*			trans	-71.9	127.1	162.7	-72.8	166.7	-44.5	0	0	109
479	H	31.9	Very low	33.3	Very low	182 Å²	182	150.8 Å²	150.8	84%	0.843	78%	0.782	S	S	*	*			trans	-137.1	119.8	157.9	-101.2	-57.5	0	0	0	112.2
480	N	29	Very low	33.8	Very low	164 Å²	164	151.8 Å²	151.8	88%	0.877	78%	0.778	S	S	*	*			trans	-50.5	135.4	175.9	-75	-29.9	0	0	0	113.9
481	A	29.8	Very low	34.6	Very low	95 Å²	95	148.5 Å²	148.5	79%	0.785	77%	0.765	S	S	*	*			trans	-107.8	137.8	157.5	0	0	0	0	0	109.7
482	P	32.7	Very low	35.1	Very low	123 Å²	123	144.9 Å²	144.9	80%	0.799	75%	0.751	S	S	*	*			trans	-82.1	139.7	-178.1	32.1	-30.8	0	0	0	112.3
483	M	26	Very low	36.1	Very low	172 Å²	172	142 Å²	142	85%	0.847	74%	0.735	S	S	*	*			trans	-61.1	137.5	167.7	-76	-170.5	111.3	0	0	111.8
484	I	34.1	Very low	36.9	Very low	167 Å²	167	143.1 Å²	143.1	86%	0.856	73%	0.734	S	S	*	*			trans	-135.5	129.6	154.5	-63.4	-178.4	0	0	0	107.7
485	D	35	Very low	37.9	Very low	129 Å²	129	138 Å²	138	69%	0.69	71%	0.714	S	S	*	*			trans	-73.8	162	-163.3	-64.8	-52.2	0	0	0	116.1	I487	D485-I487 PolarHBondContact O-N 2.85Å
486	D	31.9	Very low	38.2	Very low	170 Å²	170	135.8 Å²	135.8	91%	0.909	70%	0.703	S	S	*	*			trans	-37.1	115.6	175.8	-73.9	-47.3	0	0	0	115
487	I	46.2	Very low	39	Very low	141 Å²	141	139.2 Å²	139.2	72%	0.723	71%	0.705	S	S	*	*			trans	-94.6	119.7	162.3	-69.8	169.8	0	0	0	107.9	D485 I489	D485-I487 PolarHBondContact O-N 2.85Å; I487-I489 PolarHBondContact O-N 3.36Å
488	D	44.9	Very low	39.5	Very low	99 Å²	99	135.3 Å²	135.3	53%	0.529	70%	0.697	S	S	.	*			trans	-57.9	103	-179.2	-168.4	-12.5	0	0	0	111.4	Q490 E491 L492	D488-Q490 PolarHBondContact O-N 2.76Å; D488-Q490 VanDerWaalsContact O-N 3.1Å; D488-Q490 PolarHBondContact OD1-N 2.93Å; D488-Q490 VanDerWaalsContact OD1-N 3.14Å; D488-E491 HydrophobicContact CB-CB 4.42Å; D488-E491 PolarHBondContact O-N 2.72Å; D488-L492 PolarHBondContact O-N 3.33Å
489	I	50.3	Low	40.1	Very low	124 Å²	124	134.5 Å²	134.5	64%	0.636	69%	0.693	S	S	*	*	H	α-helix	trans	-57.5	-25.7	-178.3	-63.4	173.3	0	0	0	111.2	I487 I493	I487-I489 PolarHBondContact O-N 3.36Å; I489-I493 HydrophobicContact CG2-CD1 3.91Å; I489-I493 WeakPolarHBondContact O-CD1 3.27Å; I489-I493 VanDerWaalsContact O-CG1 3.26Å; I489-I493 WeakPolarHBondContact O-CG1 3.36Å; I489-I493 PolarHBondContact O-N 2.74Å
490	Q	43.6	Very low	40.3	Very low	152 Å²	152	135.1 Å²	135.1	71%	0.71	69%	0.689	S	S	*	*	H	α-helix	trans	-73.9	-29.5	177.7	-65.1	-155.1	23.7	0	0	113.2	D488 K494	D488-Q490 PolarHBondContact O-N 2.76Å; D488-Q490 VanDerWaalsContact O-N 3.1Å; D488-Q490 PolarHBondContact OD1-N 2.93Å; D488-Q490 VanDerWaalsContact OD1-N 3.14Å; Q490-K494 PolarHBondContact O-N 2.95Å; Q490-K494 VanDerWaalsContact O-N 3.1Å
491	E	49.4	Very low	40.4	Very low	123 Å²	123	132.8 Å²	132.8	58%	0.575	68%	0.681	S	S	*	*	H	α-helix	trans	-78	-32.7	177.8	-164.3	157	-166.8	0	0	111.4	D488 K494 N495	D488-E491 HydrophobicContact CB-CB 4.42Å; D488-E491 PolarHBondContact O-N 2.72Å; E491-K494 PolarHBondContact O-N 3.23Å; E491-N495 WeakPolarHBondContact O-CB 3.22Å; E491-N495 PolarHBondContact O-N 3.12Å; E491-N495 PolarHBondContact O-ND2 2.79Å
492	L	43.1	Very low	40.4	Very low	101 Å²	101	133.7 Å²	133.7	53%	0.529	68%	0.682	S	S	.	*	H	α-helix	trans	-64.6	-41.3	171.3	-165.8	70.2	0	0	0	111.8	D488 N495 L496	D488-L492 PolarHBondContact O-N 3.33Å; L492-N495 PolarHBondContact O-N 3.21Å; L492-L496 HydrophobicContact CG-CD1 4.2Å; L492-L496 WeakPolarHBondContact O-CB 3.35Å; L492-L496 WeakPolarHBondContact O-CD1 3.44Å; L492-L496 WeakPolarHBondContact O-CG 3.38Å; L492-L496 PolarHBondContact O-N 2.9Å
493	I	48.9	Very low	40.3	Very low	97 Å²	97	133 Å²	133	50%	0.497	68%	0.68	S	S	.	*	H	α-helix	trans	-68.9	-36.5	177.3	-67.5	167.8	0	0	0	111.6	I489 R497	I489-I493 HydrophobicContact CG2-CD1 3.91Å; I489-I493 WeakPolarHBondContact O-CD1 3.27Å; I489-I493 VanDerWaalsContact O-CG1 3.26Å; I489-I493 WeakPolarHBondContact O-CG1 3.36Å; I489-I493 PolarHBondContact O-N 2.74Å; I493-R497 PolarHBondContact O-N 2.92Å; I493-R497 VanDerWaalsContact O-N 3.13Å
494	K	51.3	Low	40.6	Very low	161 Å²	161	130.8 Å²	130.8	70%	0.7	68%	0.678	S	S	*	*	H	α-helix	trans	-65.9	-42.8	173.4	-99.3	-179.8	174.6	175.6	0	112.4	Q490 E491 R497 S498	Q490-K494 PolarHBondContact O-N 2.95Å; Q490-K494 VanDerWaalsContact O-N 3.1Å; E491-K494 PolarHBondContact O-N 3.23Å; K494-R497 PolarHBondContact O-N 3.31Å; K494-S498 PolarHBondContact O-N 3.49Å; K494-S498 VanDerWaalsContact O-N 3.13Å
495	N	47.4	Very low	40.7	Very low	91 Å²	91	129.4 Å²	129.4	49%	0.487	68%	0.677	S	S	.	*	H	α-helix	trans	-69.3	-33.8	179	-76.4	-28.6	0	0	0	112.5	E491 L492 S498 Q499	E491-N495 WeakPolarHBondContact O-CB 3.22Å; E491-N495 PolarHBondContact O-N 3.12Å; E491-N495 PolarHBondContact O-ND2 2.79Å; L492-N495 PolarHBondContact O-N 3.21Å; N495-S498 PolarHBondContact O-N 2.93Å; N495-Q499 WeakPolarHBondContact O-CG 3.43Å
496	L	41	Very low	40.7	Very low	89 Å²	89	130.9 Å²	130.9	47%	0.466	69%	0.685	S	S	.	*	H	α-helix	trans	-68.8	-37.8	173.5	-80.5	158.5	0	0	0	112.3	L492 S498 Q499 Y500	L492-L496 HydrophobicContact CG-CD1 4.2Å; L492-L496 WeakPolarHBondContact O-CB 3.35Å; L492-L496 WeakPolarHBondContact O-CD1 3.44Å; L492-L496 WeakPolarHBondContact O-CG 3.38Å; L492-L496 PolarHBondContact O-N 2.9Å; L496-S498 VanDerWaalsContact C-N 3.34Å; L496-S498 PolarHBondContact O-N 3Å; L496-Q499 PolarHBondContact O-N 3.4Å; L496-Y500 WeakPolarHBondContact O-CD2 3.29Å
497	R	42.4	Very low	40.8	Very low	208 Å²	208	132 Å²	132	79%	0.785	68%	0.682	S	S	*	*	H	α-helix	trans	-68.9	-29.3	174.1	-86.9	-173	-178.2	-161.8	0.8	113.7	I493 K494 Q499	I493-R497 PolarHBondContact O-N 2.92Å; I493-R497 VanDerWaalsContact O-N 3.13Å; K494-R497 PolarHBondContact O-N 3.31Å; R497-Q499 VanDerWaalsContact C-N 3.26Å; R497-Q499 PolarHBondContact O-N 3.02Å
498	S	44.1	Very low	40.3	Very low	87 Å²	87	133.9 Å²	133.9	61%	0.608	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	-10	178.2	-171.2	0	0	0	0	114.1	K494 N495 L496	K494-S498 PolarHBondContact O-N 3.49Å; K494-S498 VanDerWaalsContact O-N 3.13Å; N495-S498 PolarHBondContact O-N 2.93Å; L496-S498 VanDerWaalsContact C-N 3.34Å; L496-S498 PolarHBondContact O-N 3Å
499	Q	39.4	Very low	40	Very low	150 Å²	150	135 Å²	135	70%	0.701	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99	-3.4	-178.1	-70.8	-172.6	14.1	0	0	114.2	N495 L496 R497	N495-Q499 WeakPolarHBondContact O-CG 3.43Å; L496-Q499 PolarHBondContact O-N 3.4Å; R497-Q499 VanDerWaalsContact C-N 3.26Å; R497-Q499 PolarHBondContact O-N 3.02Å
500	Y	35.6	Very low	39.2	Very low	195 Å²	195	135.3 Å²	135.3	77%	0.765	71%	0.711	S	S	*	*	S	Bend	trans	-100.7	14.7	178	-73.4	-78.6	0	0	0	114.6	L496	L496-Y500 WeakPolarHBondContact O-CD2 3.29Å
501	T	31.8	Very low	39.1	Very low	115 Å²	115	133.6 Å²	133.6	71%	0.706	72%	0.716	S	S	*	*			trans	-130.1	72.7	177.2	68.3	0	0	0	0	111
502	S	29.1	Very low	38.4	Very low	114 Å²	114	134.3 Å²	134.3	80%	0.797	72%	0.723	S	S	*	*			trans	-158.1	97.5	159.4	51.2	0	0	0	0	112
503	S	31.8	Very low	38.4	Very low	108 Å²	108	137.5 Å²	137.5	76%	0.755	74%	0.741	S	S	*	*			trans	-142.1	144.7	145	83.8	0	0	0	0	108.4
504	P	30.5	Very low	37.9	Very low	126 Å²	126	141.3 Å²	141.3	82%	0.818	76%	0.757	S	S	*	*			trans	-84.7	130.5	-157.7	33.7	-31	0	0	0	110.6
505	V	36.3	Very low	37.5	Very low	138 Å²	138	141.9 Å²	141.9	84%	0.836	77%	0.767	S	S	*	*			trans	-123.3	121.9	163.9	-178.9	0	0	0	0	108
506	D	35.4	Very low	36.9	Very low	160 Å²	160	144.5 Å²	144.5	86%	0.856	78%	0.781	S	S	*	*			trans	-56.2	145.3	175	-75.3	-54.1	0	0	0	112.2
507	K	34	Very low	36.7	Very low	193 Å²	193	147.4 Å²	147.4	84%	0.839	80%	0.797	S	S	*	*			trans	-53.5	134.2	-179	-59.8	167.7	175.6	173.2	0	112
508	E	36.3	Very low	36.3	Very low	180 Å²	180	145.7 Å²	145.7	84%	0.841	80%	0.803	S	S	*	*				171.8	152.8	103.1	-93.1	-176.3	172.2	0	0	111.9
509	S	39.1	Very low	35.8	Very low	123 Å²	123	147.8 Å²	147.8	86%	0.86	81%	0.806	S	S	*	*			trans	80.5	96.3	170.7	57.3	0	0	0	0	119.2
510	V	33.5	Very low	35.4	Very low	131 Å²	131	146 Å²	146	79%	0.794	81%	0.809	S	S	*	*			trans	-63.7	135.7	161.5	169.7	0	0	0	0	111.5
511	S	40.1	Very low	35.3	Very low	116 Å²	116	145.7 Å²	145.7	81%	0.811	81%	0.812	S	S	*	*			trans	-159.7	121.1	133.4	56.1	0	0	0	0	109.7
512	D	34.8	Very low	35.4	Very low	138 Å²	138	147.3 Å²	147.3	74%	0.738	81%	0.812	S	S	*	*			trans	-53.1	143.4	171.4	-60.4	-52	0	0	0	112
513	D	43.3	Very low	35.5	Very low	168 Å²	168	147.5 Å²	147.5	90%	0.898	81%	0.808	S	S	*	*			trans	-168.9	122.8	132.6	-88	-31.9	0	0	0	108.6
514	E	39.6	Very low	35.5	Very low	177 Å²	177	147.5 Å²	147.5	83%	0.827	81%	0.805	S	S	*	*			trans	-79.2	138.8	-178.9	-55.5	-150.8	150.8	0	0	110.9
515	D	42.1	Very low	35.5	Very low	173 Å²	173	148.9 Å²	148.9	93%	0.925	81%	0.805	S	S	*	*			trans	-161.7	115.2	148.3	-88.5	-37.6	0	0	0	109.6
516	D	34.4	Very low	35.4	Very low	146 Å²	146	150.6 Å²	150.6	78%	0.781	80%	0.804	S	S	*	*			trans	-68.7	117.9	177	-84.7	-50.1	0	0	0	111.7
517	D	38	Very low	35.2	Very low	149 Å²	149	148.4 Å²	148.4	80%	0.797	79%	0.792	S	S	*	*			trans	-140.5	87.8	159.3	-101.1	-28.7	0	0	0	110.6	I519	D517-I519 VanDerWaalsContact C-N 3.27Å; D517-I519 PolarHBondContact O-N 3.19Å
518	L	33.2	Very low	35	Very low	172 Å²	172	143.4 Å²	143.4	90%	0.901	78%	0.779	S	S	*	*			trans	-70.5	75.3	172.5	-80.6	159.5	0	0	0	110.8
519	I	33	Very low	34.6	Very low	132 Å²	132	143.5 Å²	143.5	68%	0.677	78%	0.777	S	S	*	*			trans	-94.6	111.2	164.6	-60.7	174.8	0	0	0	108	D517 K521	D517-I519 VanDerWaalsContact C-N 3.27Å; D517-I519 PolarHBondContact O-N 3.19Å; I519-K521 PolarHBondContact O-N 3.1Å
520	S	31.2	Very low	33.9	Very low	111 Å²	111	141.2 Å²	141.2	78%	0.776	76%	0.761	S	S	*	*			trans	-53.6	92.4	174.7	56.4	0	0	0	0	111.6	Q522	S520-Q522 PolarHBondContact O-N 3.01Å
521	K	33.6	Very low	33.6	Very low	189 Å²	189	140.3 Å²	140.3	82%	0.822	76%	0.756	S	S	*	*			trans	-68.9	95.3	166.6	-72.2	-179	179.3	175.6	0	108	I519 V523	I519-K521 PolarHBondContact O-N 3.1Å; K521-V523 VanDerWaalsContact C-N 3.3Å; K521-V523 PolarHBondContact O-N 3.38Å
522	Q	34.5	Very low	33	Very low	150 Å²	150	144.5 Å²	144.5	70%	0.701	76%	0.76	S	S	*	*			trans	-60.8	96.6	161.2	-99.1	175.1	-10.6	0	0	107.8	S520 P524	S520-Q522 PolarHBondContact O-N 3.01Å; Q522-P524 WeakPolarHBondContact O-CD 3.44Å
523	V	30.9	Very low	32.7	Very low	117 Å²	117	141.9 Å²	141.9	71%	0.709	77%	0.765	S	S	*	*			trans	-70.4	120.1	169.1	179	0	0	0	0	106.7	K521 L525	K521-V523 VanDerWaalsContact C-N 3.3Å; K521-V523 PolarHBondContact O-N 3.38Å; V523-L525 PolarHBondContact O-N 3.1Å; V523-L525 VanDerWaalsContact O-N 3.11Å
524	P	31.6	Very low	32.4	Very low	109 Å²	109	135.5 Å²	135.5	71%	0.708	73%	0.732	S	S	*	*			trans	-63.8	116.7	169	26	-29.5	0	0	0	107	Q522 Q526	Q522-P524 WeakPolarHBondContact O-CD 3.44Å; P524-Q526 PolarHBondContact O-N 3.41Å
525	L	30.4	Very low	32.2	Very low	155 Å²	155	131 Å²	131	81%	0.812	72%	0.72	S	S	*	*			trans	-62.9	87.8	166.9	-88.4	156.8	0	0	0	107.5	V523 L527	V523-L525 PolarHBondContact O-N 3.1Å; V523-L525 VanDerWaalsContact O-N 3.11Å; L525-L527 PolarHBondContact O-N 3.43Å
526	Q	33.4	Very low	31.8	Very low	173 Å²	173	124.6 Å²	124.6	81%	0.808	70%	0.695	S	S	*	*			trans	-54.9	119.8	153.3	-91.1	178.7	-29.4	0	0	106.1	P524 P528	P524-Q526 PolarHBondContact O-N 3.41Å; Q526-P528 WeakPolarHBondContact O-CD 3.49Å; Q526-P528 VanDerWaalsContact O-N 3.13Å
527	L	33	Very low	31.9	Very low	115 Å²	115	121.7 Å²	121.7	60%	0.602	69%	0.692	S	S	*	*			trans	-52.7	118.3	171.4	-70.5	164.9	0	0	0	108.1	L525 F529	L525-L527 PolarHBondContact O-N 3.43Å; L527-F529 VanDerWaalsContact C-N 3.31Å; L527-F529 HydrophobicContact CB-CD2 4.42Å; L527-F529 HydrophobicContact CB-CE2 4.28Å; L527-F529 HydrophobicContact CD1-CE2 4.42Å; L527-F529 PolarHBondContact O-N 2.98Å
528	P	29.1	Very low	31.8	Very low	87 Å²	87	120.8 Å²	120.8	57%	0.565	68%	0.677	S	S	*	*			trans	-78.5	87.7	175.5	32	-29.4	0	0	0	107.3	Q526 S530	Q526-P528 WeakPolarHBondContact O-CD 3.49Å; Q526-P528 VanDerWaalsContact O-N 3.13Å; P528-S530 PolarHBondContact O-N 2.96Å
529	F	27.4	Very low	32.1	Very low	182 Å²	182	112.8 Å²	112.8	80%	0.798	64%	0.635	S	S	*	*			trans	-78.9	62.6	150.6	-66.2	-70.3	0	0	0	107.6	L527	L527-F529 VanDerWaalsContact C-N 3.31Å; L527-F529 HydrophobicContact CB-CD2 4.42Å; L527-F529 HydrophobicContact CB-CE2 4.28Å; L527-F529 HydrophobicContact CD1-CE2 4.42Å; L527-F529 PolarHBondContact O-N 2.98Å
530	S	25.7	Very low	32.3	Very low	76 Å²	76	111.4 Å²	111.4	53%	0.531	63%	0.633	S	S	.	*	S	Bend	trans	-158.4	98.6	177.1	-168.1	0	0	0	0	106.9	P528	P528-S530 PolarHBondContact O-N 2.96Å
531	T	25.4	Very low	32.7	Very low	111 Å²	111	112.4 Å²	112.4	68%	0.681	63%	0.625	S	S	*	*			trans	25.1	110.3	153.5	46.9	0	0	0	0	116.3
532	F	27.8	Very low	33	Very low	205 Å²	205	103.5 Å²	103.5	90%	0.899	59%	0.586	S	S	*	*				178.3	140.9	128.2	-84.5	-61	0	0	0	109.5
533	G	29.8	Very low	33.4	Very low	82 Å²	82	100 Å²	100	85%	0.845	57%	0.569	S	S	*	*			trans	-81.8	154.3	-150.8	0	0	0	0	0	118.6
534	V	36	Very low	34.2	Very low	35 Å²	35	97.1 Å²	97.1	21%	0.212	56%	0.558	C	S	.	*			trans	-139.4	144.1	-175.4	-173.6	0	0	0	0	109	D611 D615	V534-D611 HydrophobicContact CB-CB 4.35Å; V534-D611 WeakPolarHBondContact CB-O 3.46Å; V534-D611 VanDerWaalsContact CG1-O 3.23Å; V534-D611 WeakPolarHBondContact CG1-O 3.48Å; V534-D611 VanDerWaalsContact O-CG 3.27Å; V534-D615 HydrophobicContact CG1-CB 3.87Å; V534-D615 WeakPolarHBondContact CG1-OD1 3.45Å; V534-D615 WeakPolarHBondContact CG1-OD2 3.37Å; V534-D615 HydrophobicContact CG2-CB 4.21Å; V534-D615 WeakPolarHBondContact CG2-OD2 3.42Å
535	S	35.6	Very low	35	Very low	81 Å²	81	94.2 Å²	94.2	57%	0.566	53%	0.534	S	S	*	.			trans	-92.1	130.6	-171	71.6	0	0	0	0	115.7	A537	S535-A537 VanDerWaalsContact C-N 3.33Å; S535-A537 PolarHBondContact O-N 3.16Å
536	G	34.4	Very low	35.7	Very low	39 Å²	39	89 Å²	89	40%	0.402	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-3.5	-172.8	0	0	0	0	0	121.5	L539 D611	G536-L539 WeakPolarHBondContact O-CB 3.38Å; G536-D611 WeakPolarHBondContact CA-OD1 3.27Å; G536-D611 PolarHBondContact N-OD1 3.28Å; G536-D611 VanDerWaalsContact N-OD1 3.15Å
537	A	35.5	Very low	36.8	Very low	86 Å²	86	87.1 Å²	87.1	71%	0.711	49%	0.493	S	S	*	.	H	α-helix	trans	-84.7	-27.3	180	0	0	0	0	0	114	S535 L539	S535-A537 VanDerWaalsContact C-N 3.33Å; S535-A537 PolarHBondContact O-N 3.16Å; A537-L539 PolarHBondContact O-N 3.49Å; A537-L539 VanDerWaalsContact O-N 3.12Å
538	R	36.8	Very low	37.8	Very low	130 Å²	130	89.3 Å²	89.3	49%	0.491	50%	0.5	S	S	.	.	H	α-helix	trans	-70.9	-3.5	177.6	-91.9	173.1	140.5	-168.4	-6.6	113.5	S614 N618	R538-S614 WeakPolarHBondContact CA-OG 3.31Å; R538-S614 WeakPolarHBondContact CB-OG 3.29Å; R538-S614 PolarHBondContact O-OG 3.1Å; R538-N618 WeakPolarHBondContact CD-ND2 3.33Å; R538-N618 PolarHBondContact NE-ND2 3.49Å; R538-N618 VanDerWaalsContact NE-ND2 3.19Å; R538-N618 PolarHBondContact NE-OD1 2.74Å; R538-N618 PolarHBondContact NH2-OD1 2.85Å
539	L	38.6	Very low	38.5	Very low	4 Å²	4	92.1 Å²	92.1	2%	0.021	50%	0.499	C	S	.	.	H	α-helix	trans	-102.3	-43.6	-157.7	-134	136.5	0	0	0	113.2	G536 A537 H541 L542 F543 D610 D611 S614	G536-L539 WeakPolarHBondContact O-CB 3.38Å; A537-L539 PolarHBondContact O-N 3.49Å; A537-L539 VanDerWaalsContact O-N 3.12Å; L539-H541 PolarHBondContact O-N 2.85Å; L539-L542 HydrophobicContact CD2-CD2 4.25Å; L539-L542 HydrophobicContact CG-CD2 4.13Å; L539-L542 VanDerWaalsContact O-CB 3.31Å; L539-L542 WeakPolarHBondContact O-CB 3.19Å; L539-L542 PolarHBondContact O-N 3.16Å; L539-F543 HydrophobicContact CD2-CD2 3.44Å; L539-F543 VanDerWaalsContact CD2-CD2 3.44Å; L539-F543 HydrophobicContact CD2-CE2 3.13Å; L539-F543 HydrophobicContact CD2-CZ 4.25Å; L539-F543 VanDerWaalsContact O-CD2 3.31Å; L539-F543 WeakPolarHBondContact O-CD2 3.47Å; L539-F543 PolarHBondContact O-N 2.83Å; L539-D610 HydrophobicContact CD1-CB 4.14Å; L539-D610 WeakPolarHBondContact CD1-O 3.41Å; L539-D610 HydrophobicContact CD2-CB 3.41Å; L539-D610 VanDerWaalsContact CD2-CB 3.41Å; L539-D610 WeakPolarHBondContact CD2-O 3.36Å; L539-D610 HydrophobicContact CG-CB 4.28Å; L539-D610 WeakPolarHBondContact CG-O 3.42Å; L539-D611 HydrophobicContact CD1-CB 4.21Å; L539-D611 WeakPolarHBondContact CD1-OD1 3.48Å; L539-S614 WeakPolarHBondContact CA-OG 3.3Å; L539-S614 WeakPolarHBondContact CB-OG 3.48Å; L539-S614 WeakPolarHBondContact CD1-OG 3.36Å; L539-S614 WeakPolarHBondContact CG-OG 3.26Å; L539-S614 PolarHBondContact N-OG 2.96Å
540	T	38	Very low	39.2	Very low	102 Å²	102	83.9 Å²	83.9	63%	0.626	47%	0.465	S	S	*	.	H	α-helix	trans	-64	-38.6	177.9	-40.5	0	0	0	0	109.1	L542 F543 A544	T540-L542 VanDerWaalsContact C-N 3.33Å; T540-F543 PolarHBondContact O-N 3.22Å; T540-A544 PolarHBondContact O-N 2.83Å
541	H	40	Very low	40.2	Very low	132 Å²	132	84 Å²	84	61%	0.611	46%	0.46	S	S	*	.	H	α-helix	trans	-66.2	-38.2	175.4	-161.1	-81.2	0	0	0	112	L539 A544 E545	L539-H541 PolarHBondContact O-N 2.85Å; H541-A544 WeakPolarHBondContact O-CB 3.13Å; H541-A544 PolarHBondContact O-N 2.62Å; H541-E545 IonicContact ND1-OE2 3.54Å; H541-E545 WeakPolarHBondContact O-CB 3.37Å; H541-E545 PolarHBondContact O-N 2.81Å
542	L	39	Very low	41.2	Very low	2 Å²	2	81.9 Å²	81.9	1%	0.01	44%	0.444	C	S	.	.	H	α-helix	trans	-66.5	-41.9	176.3	143.9	98.5	0	0	0	113	L539 T540 A544 E545 L546 L613 S614 Q617	L539-L542 HydrophobicContact CD2-CD2 4.25Å; L539-L542 HydrophobicContact CG-CD2 4.13Å; L539-L542 VanDerWaalsContact O-CB 3.31Å; L539-L542 WeakPolarHBondContact O-CB 3.19Å; L539-L542 PolarHBondContact O-N 3.16Å; T540-L542 VanDerWaalsContact C-N 3.33Å; L542-A544 VanDerWaalsContact C-N 3.31Å; L542-E545 PolarHBondContact O-N 2.86Å; L542-L546 HydrophobicContact CD1-CD1 3.43Å; L542-L546 VanDerWaalsContact CD1-CD1 3.43Å; L542-L546 HydrophobicContact CD1-CG 4.05Å; L542-L546 HydrophobicContact CG-CD1 4.12Å; L542-L546 VanDerWaalsContact O-CB 3.32Å; L542-L546 WeakPolarHBondContact O-CB 3.25Å; L542-L546 WeakPolarHBondContact O-CG 3.4Å; L542-L546 PolarHBondContact O-N 3.3Å; L542-L613 HydrophobicContact CD1-CB 4.32Å; L542-L613 VanDerWaalsContact CD1-O 3.3Å; L542-L613 WeakPolarHBondContact CD1-O 3.5Å; L542-L613 HydrophobicContact CD2-CB 3.56Å; L542-L613 WeakPolarHBondContact CD2-O 3.1Å; L542-L613 HydrophobicContact CG-CB 4.46Å; L542-S614 VanDerWaalsContact CD2-CA 3.45Å; L542-Q617 HydrophobicContact CB-CB 4.11Å; L542-Q617 HydrophobicContact CB-CG 4.04Å; L542-Q617 VanDerWaalsContact CB-NE2 3.32Å; L542-Q617 HydrophobicContact CD1-CB 3.53Å; L542-Q617 HydrophobicContact CD1-CG 3.1Å; L542-Q617 HydrophobicContact CG-CB 4.21Å; L542-Q617 VanDerWaalsContact CG-CD 3.42Å; L542-Q617 HydrophobicContact CG-CG 3.98Å; L542-Q617 PolarHBondContact O-NE2 2.82Å
543	F	42.7	Very low	41.8	Very low	77 Å²	77	75.2 Å²	75.2	34%	0.338	42%	0.417	S	S	.	.	H	α-helix	trans	-66.4	-37.6	175.7	-86.3	-63.5	0	0	0	111.3	L539 T540 E545 R547 D610 L613	L539-F543 HydrophobicContact CD2-CD2 3.44Å; L539-F543 VanDerWaalsContact CD2-CD2 3.44Å; L539-F543 HydrophobicContact CD2-CE2 3.13Å; L539-F543 HydrophobicContact CD2-CZ 4.25Å; L539-F543 VanDerWaalsContact O-CD2 3.31Å; L539-F543 WeakPolarHBondContact O-CD2 3.47Å; L539-F543 PolarHBondContact O-N 2.83Å; T540-F543 PolarHBondContact O-N 3.22Å; F543-E545 VanDerWaalsContact C-N 3.35Å; F543-R547 WeakPolarHBondContact O-CB 3.01Å; F543-R547 PolarHBondContact O-N 3.3Å; F543-D610 HydrophobicContact CE2-CB 4.25Å; F543-D610 WeakPolarHBondContact CE2-OD1 3.43Å; F543-D610 WeakPolarHBondContact CZ-OD1 3.34Å; F543-L613 HydrophobicContact CE1-CD1 3.53Å; F543-L613 HydrophobicContact CE2-CD1 4.07Å; F543-L613 HydrophobicContact CZ-CD1 3.2Å
544	A	47.5	Very low	42.2	Very low	57 Å²	57	74.6 Å²	74.6	47%	0.471	40%	0.395	S	S	.	.	H	α-helix	trans	-61.2	-45.9	171.9	0	0	0	0	0	110.9	T540 H541 L542 R547 E548	T540-A544 PolarHBondContact O-N 2.83Å; H541-A544 WeakPolarHBondContact O-CB 3.13Å; H541-A544 PolarHBondContact O-N 2.62Å; L542-A544 VanDerWaalsContact C-N 3.31Å; A544-R547 PolarHBondContact O-N 2.69Å; A544-E548 VanDerWaalsContact O-CB 3.32Å; A544-E548 WeakPolarHBondContact O-CB 3.29Å; A544-E548 PolarHBondContact O-N 2.95Å
545	E	49.1	Very low	42	Very low	47 Å²	47	79.7 Å²	79.7	22%	0.22	41%	0.414	C	S	.	.	H	α-helix	trans	-72.2	-32.5	-178.8	-166.1	170.3	178.2	0	0	113.1	H541 L542 F543 R549	H541-E545 IonicContact ND1-OE2 3.54Å; H541-E545 WeakPolarHBondContact O-CB 3.37Å; H541-E545 PolarHBondContact O-N 2.81Å; L542-E545 PolarHBondContact O-N 2.86Å; F543-E545 VanDerWaalsContact C-N 3.35Å; E545-R549 VanDerWaalsContact O-CB 3.23Å; E545-R549 WeakPolarHBondContact O-CB 3.47Å; E545-R549 VanDerWaalsContact O-CG 3.29Å; E545-R549 WeakPolarHBondContact O-CG 3.25Å; E545-R549 PolarHBondContact O-N 2.76Å; E545-R549 IonicContact OE1-CZ 3.85Å; E545-R549 IonicContact OE1-NE 3.37Å; E545-R549 IonicContact OE1-NH1 3.6Å; E545-R549 PolarHBondContact OE1-NH1 3.13Å; E545-R549 IonicContact OE1-NH2 3.55Å; E545-R549 PolarHBondContact OE1-NH2 3.29Å
546	L	46	Very low	41.7	Very low	47 Å²	47	83.5 Å²	83.5	25%	0.246	42%	0.423	C	S	.	.	H	α-helix	trans	-73.6	-38.5	171.7	-79.6	175.1	0	0	0	111.8	L542 E548 R549 A550	L542-L546 HydrophobicContact CD1-CD1 3.43Å; L542-L546 VanDerWaalsContact CD1-CD1 3.43Å; L542-L546 HydrophobicContact CD1-CG 4.05Å; L542-L546 HydrophobicContact CG-CD1 4.12Å; L542-L546 VanDerWaalsContact O-CB 3.32Å; L542-L546 WeakPolarHBondContact O-CB 3.25Å; L542-L546 WeakPolarHBondContact O-CG 3.4Å; L542-L546 PolarHBondContact O-N 3.3Å; L546-E548 VanDerWaalsContact C-N 3.29Å; L546-E548 PolarHBondContact O-N 2.9Å; L546-R549 PolarHBondContact O-N 3.14Å; L546-A550 WeakPolarHBondContact O-CB 3.29Å; L546-A550 PolarHBondContact O-N 2.81Å
547	R	54.5	Low	41.4	Very low	132 Å²	132	87.3 Å²	87.3	50%	0.498	44%	0.438	S	S	.	.	H	α-helix	trans	-61	-42.9	173	-172.4	175.8	-173.3	144.7	6.6	110.2	F543 A544 N551 L552 D553	F543-R547 WeakPolarHBondContact O-CB 3.01Å; F543-R547 PolarHBondContact O-N 3.3Å; A544-R547 PolarHBondContact O-N 2.69Å; R547-N551 PolarHBondContact O-N 3.43Å; R547-L552 PolarHBondContact O-N 2.95Å; R547-D553 IonicContact NH2-OD1 3.79Å; R547-D553 PolarHBondContact NH2-OD1 3.45Å
548	E	54.4	Low	41.1	Very low	161 Å²	161	88.4 Å²	88.4	75%	0.752	44%	0.438	S	S	*	.	H	α-helix	trans	-67.7	-45.9	176.1	-168.7	-178.4	175.3	0	0	112.3	A544 L546	A544-E548 VanDerWaalsContact O-CB 3.32Å; A544-E548 WeakPolarHBondContact O-CB 3.29Å; A544-E548 PolarHBondContact O-N 2.95Å; L546-E548 VanDerWaalsContact C-N 3.29Å; L546-E548 PolarHBondContact O-N 2.9Å
549	R	45	Very low	40.6	Very low	146 Å²	146	90.6 Å²	90.6	55%	0.551	45%	0.454	S	S	*	.	H	α-helix	trans	-80.2	-33.6	-175.6	-74.7	-170.7	176	134.9	16.9	115.1	E545 L546	E545-R549 VanDerWaalsContact O-CB 3.23Å; E545-R549 WeakPolarHBondContact O-CB 3.47Å; E545-R549 VanDerWaalsContact O-CG 3.29Å; E545-R549 WeakPolarHBondContact O-CG 3.25Å; E545-R549 PolarHBondContact O-N 2.76Å; E545-R549 IonicContact OE1-CZ 3.85Å; E545-R549 IonicContact OE1-NE 3.37Å; E545-R549 IonicContact OE1-NH1 3.6Å; E545-R549 PolarHBondContact OE1-NH1 3.13Å; E545-R549 IonicContact OE1-NH2 3.55Å; E545-R549 PolarHBondContact OE1-NH2 3.29Å; L546-R549 PolarHBondContact O-N 3.14Å
550	A	42.1	Very low	40.2	Very low	10 Å²	10	96.9 Å²	96.9	8%	0.083	49%	0.486	C	S	.	.	H	α-helix	trans	-93.6	-2.5	-179	0	0	0	0	0	113.1	R183 L546 L552	R183-A550 HydrophobicContact CB-CB 4.36Å; L546-A550 WeakPolarHBondContact O-CB 3.29Å; L546-A550 PolarHBondContact O-N 2.81Å; A550-L552 HydrophobicContact CB-CD1 3.63Å; A550-L552 HydrophobicContact CB-CD2 4.49Å; A550-L552 HydrophobicContact CB-CG 3.64Å; A550-L552 PolarHBondContact O-N 2.82Å
551	N	45.5	Very low	39.8	Very low	78 Å²	78	98.3 Å²	98.3	42%	0.417	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	41.9	-177.4	-154.6	8.2	0	0	0	111.8	V37 R547 D553	V37-N551 WeakPolarHBondContact CG2-ND2 3.42Å; R547-N551 PolarHBondContact O-N 3.43Å; N551-D553 PolarHBondContact O-N 2.78Å
552	L	46.3	Very low	39.3	Very low	67 Å²	67	100.4 Å²	100.4	35%	0.351	50%	0.499	S	S	.	.			trans	-85.2	86.2	-177.8	-66.8	165.6	0	0	0	108.7	R547 A550 L554	R547-L552 PolarHBondContact O-N 2.95Å; A550-L552 HydrophobicContact CB-CD1 3.63Å; A550-L552 HydrophobicContact CB-CD2 4.49Å; A550-L552 HydrophobicContact CB-CG 3.64Å; A550-L552 PolarHBondContact O-N 2.82Å; L552-L554 HydrophobicContact CB-CD1 4.36Å; L552-L554 HydrophobicContact CD2-CD1 3.67Å; L552-L554 PolarHBondContact O-N 3.33Å
553	D	40.4	Very low	38.9	Very low	64 Å²	64	106.2 Å²	106.2	34%	0.342	54%	0.535	S	S	.	.			trans	-89.6	55.9	164.9	-150.1	25.4	0	0	0	109.8	N39 R547 N551 Q556	N39-D553 PolarHBondContact ND2-O 3.44Å; R547-D553 IonicContact NH2-OD1 3.79Å; R547-D553 PolarHBondContact NH2-OD1 3.45Å; N551-D553 PolarHBondContact O-N 2.78Å; D553-Q556 PolarHBondContact OD2-NE2 3.5Å
554	L	38.9	Very low	38.2	Very low	70 Å²	70	107 Å²	107	37%	0.366	56%	0.556	S	S	.	*			trans	-85.6	111.8	168.4	-73.5	151.3	0	0	0	105.3	L552	L552-L554 HydrophobicContact CB-CD1 4.36Å; L552-L554 HydrophobicContact CD2-CD1 3.67Å; L552-L554 PolarHBondContact O-N 3.33Å
555	F	31.2	Very low	37.5	Very low	141 Å²	141	110 Å²	110	62%	0.618	57%	0.569	S	S	*	*			trans	84.3	88.6	-176.6	-41.4	-69.3	0	0	0	116.4	V557	F555-V557 HydrophobicContact CB-CG2 4.46Å; F555-V557 PolarHBondContact O-N 3.26Å
556	Q	30.3	Very low	36.7	Very low	162 Å²	162	115.2 Å²	115.2	76%	0.757	60%	0.598	S	S	*	*			trans	-74.7	101.4	139.7	-82.8	173.6	20.5	0	0	107.4	D553 P558	D553-Q556 PolarHBondContact OD2-NE2 3.5Å; Q556-P558 WeakPolarHBondContact O-CD 3.44Å
557	V	28.2	Very low	36	Very low	119 Å²	119	119.5 Å²	119.5	72%	0.721	63%	0.626	S	S	*	*			trans	-68.4	123.9	163.9	-178.6	0	0	0	0	106.6	F555 Q559	F555-V557 HydrophobicContact CB-CG2 4.46Å; F555-V557 PolarHBondContact O-N 3.26Å; V557-Q559 PolarHBondContact O-N 3.19Å; V557-Q559 VanDerWaalsContact O-N 3.13Å
558	P	28	Very low	35	Very low	108 Å²	108	118.9 Å²	118.9	70%	0.701	64%	0.637	S	S	*	*			trans	-56.1	121.4	172.4	-21.8	32.1	0	0	0	109.2	Q556 I560	Q556-P558 WeakPolarHBondContact O-CD 3.44Å; P558-I560 PolarHBondContact O-N 3.44Å
559	Q	26.8	Very low	34.1	Very low	176 Å²	176	116.9 Å²	116.9	82%	0.822	64%	0.635	S	S	*	*			trans	-65.2	105	170	-69.2	-153.5	-13.8	0	0	108.4	V557 N561	V557-Q559 PolarHBondContact O-N 3.19Å; V557-Q559 VanDerWaalsContact O-N 3.13Å; Q559-N561 PolarHBondContact O-N 3.03Å; Q559-N561 VanDerWaalsContact O-N 3.1Å
560	I	30.3	Very low	33.6	Very low	137 Å²	137	114.1 Å²	114.1	70%	0.703	64%	0.639	S	S	*	*			trans	-70.5	103.3	165	-60.6	173.4	0	0	0	105.8	P558 H562	P558-I560 PolarHBondContact O-N 3.44Å; I560-H562 PolarHBondContact O-N 2.73Å
561	N	29.4	Very low	33.3	Very low	132 Å²	132	119.8 Å²	119.8	71%	0.706	67%	0.667	S	S	*	*			trans	-60.9	103.4	167	-82.4	-20.3	0	0	0	108.3	Q559 T563	Q559-N561 PolarHBondContact O-N 3.03Å; Q559-N561 VanDerWaalsContact O-N 3.1Å; N561-T563 VanDerWaalsContact C-N 3.25Å; N561-T563 PolarHBondContact O-N 2.83Å
562	H	30.1	Very low	32.9	Very low	175 Å²	175	122.1 Å²	122.1	81%	0.81	68%	0.68	S	S	*	*			trans	-68.5	88.3	164.1	-75.6	-72.1	0	0	0	108.8	I560 A564	I560-H562 PolarHBondContact O-N 2.73Å; H562-A564 PolarHBondContact O-N 3.28Å; H562-A564 VanDerWaalsContact O-N 3.14Å
563	T	30.5	Very low	32.6	Very low	125 Å²	125	126 Å²	126	77%	0.767	70%	0.701	S	S	*	*			trans	-65.8	106.5	160.6	-2.2	0	0	0	0	108	N561 T565	N561-T563 VanDerWaalsContact C-N 3.25Å; N561-T563 PolarHBondContact O-N 2.83Å; T563-T565 PolarHBondContact O-N 3.14Å
564	A	28.5	Very low	32.4	Very low	94 Å²	94	128 Å²	128	78%	0.777	72%	0.72	S	S	*	*			trans	-65.2	108.8	170.4	0	0	0	0	0	109.9	H562	H562-A564 PolarHBondContact O-N 3.28Å; H562-A564 VanDerWaalsContact O-N 3.14Å
565	T	32.1	Very low	32.2	Very low	119 Å²	119	130.4 Å²	130.4	73%	0.73	74%	0.738	S	S	*	*			trans	-116.1	91.1	160.2	49.5	0	0	0	0	108.8	T563 T567	T563-T565 PolarHBondContact O-N 3.14Å; T565-T567 PolarHBondContact O-N 3.23Å; T565-T567 VanDerWaalsContact O-N 3.14Å
566	N	31.6	Very low	32.3	Very low	157 Å²	157	129.5 Å²	129.5	84%	0.84	74%	0.744	S	S	*	*			trans	-60.2	110.1	163.2	-88.9	-24.1	0	0	0	108.6
567	T	31.9	Very low	32.7	Very low	136 Å²	136	129.5 Å²	129.5	83%	0.834	75%	0.748	S	S	*	*			trans	-90.8	115.8	168.7	-50.8	0	0	0	0	107.8	T565	T565-T567 PolarHBondContact O-N 3.23Å; T565-T567 VanDerWaalsContact O-N 3.14Å
568	V	34	Very low	32.9	Very low	119 Å²	119	129.2 Å²	129.2	72%	0.721	75%	0.75	S	S	*	*			trans	-109.5	116.4	178.1	165.2	0	0	0	0	107
569	V	35.7	Very low	33.4	Very low	119 Å²	119	129.7 Å²	129.7	72%	0.721	75%	0.754	S	S	*	*			trans	85.7	113.8	139.8	179.2	0	0	0	0	118.1
570	S	33.4	Very low	33.7	Very low	89 Å²	89	126.5 Å²	126.5	62%	0.622	75%	0.751	S	S	*	*				129.4	130.8	113.7	-113.9	0	0	0	0	117.4
571	N	35.6	Very low	33.8	Very low	128 Å²	128	125.9 Å²	125.9	68%	0.684	75%	0.753	S	S	*	*			trans	94.6	139.7	148	-52.7	-17.9	0	0	0	117.8
572	N	37.9	Very low	34.1	Very low	127 Å²	127	125.7 Å²	125.7	68%	0.679	76%	0.756	S	S	*	*			cis	-176.4	155.6	-19.3	-92	-21.3	0	0	0	105.7
573	N	40	Very low	34.2	Very low	150 Å²	150	123.7 Å²	123.7	80%	0.802	75%	0.752	S	S	*	*			trans	80.7	106.7	163.9	-55.6	-16.3	0	0	0	116.6
574	S	35.3	Very low	34	Very low	106 Å²	106	124.5 Å²	124.5	74%	0.741	76%	0.757	S	S	*	*				58.8	121.4	77.3	-162.8	0	0	0	0	110.3
575	T	35.6	Very low	34.1	Very low	119 Å²	119	124.2 Å²	124.2	73%	0.73	75%	0.754	S	S	*	*				-169.2	150.3	53.6	-55.6	0	0	0	0	110.8
576	T	33.2	Very low	34	Very low	122 Å²	122	127.3 Å²	127.3	75%	0.748	76%	0.761	S	S	*	*			trans	-51.5	151.8	169.2	14.1	0	0	0	0	116.1
577	I	38.5	Very low	34.1	Very low	163 Å²	163	125.2 Å²	125.2	84%	0.836	76%	0.758	S	S	*	*				178.7	102.8	128.9	-82.7	149.2	0	0	0	110.3
578	S	32.5	Very low	34.1	Very low	112 Å²	112	124.3 Å²	124.3	78%	0.783	76%	0.757	S	S	*	*				36	156.1	129.2	-65.1	0	0	0	0	125.7
579	P	37.6	Very low	34.5	Very low	119 Å²	119	125.8 Å²	125.8	77%	0.773	76%	0.76	S	S	*	*			trans	-111.8	169.4	-144.5	41.7	-31.5	0	0	0	114.8
580	S	33.1	Very low	34.7	Very low	108 Å²	108	128 Å²	128	76%	0.755	76%	0.76	S	S	*	*				172.7	143.9	127.9	64.7	0	0	0	0	113.8
581	V	33.6	Very low	35.2	Very low	124 Å²	124	128.4 Å²	128.4	75%	0.752	76%	0.756	S	S	*	*			trans	66.8	108.3	156.8	-159.7	0	0	0	0	118.3
582	V	34.7	Very low	35.9	Very low	128 Å²	128	125.6 Å²	125.6	78%	0.776	75%	0.75	S	S	*	*				-162.6	116.6	123.5	-166.5	0	0	0	0	111.2
583	N	32.2	Very low	36.9	Very low	134 Å²	134	125.1 Å²	125.1	72%	0.717	75%	0.748	S	S	*	*			trans	45.3	111.2	142.2	-50.8	-17.1	0	0	0	124.5
584	T	27.9	Very low	37.8	Very low	141 Å²	141	120.2 Å²	120.2	87%	0.865	73%	0.728	S	S	*	*				5.2	123.5	123.3	-28.3	0	0	0	0	120.2
585	A	28.9	Very low	38.5	Very low	88 Å²	88	119.5 Å²	119.5	73%	0.727	72%	0.716	S	S	*	*			trans	-172.7	118.5	137.8	0	0	0	0	0	113.2
586	Q	31.2	Very low	39.9	Very low	185 Å²	185	118 Å²	118	86%	0.864	71%	0.706	S	S	*	*			trans	73.2	128	138.7	-57.7	-168.5	-11.1	0	0	123.9
587	S	33.8	Very low	41.6	Very low	113 Å²	113	116.9 Å²	116.9	79%	0.79	70%	0.695	S	S	*	*			trans	69.3	98.7	158.6	69.3	0	0	0	0	117.8
588	S	30.6	Very low	42.8	Very low	116 Å²	116	112.8 Å²	112.8	81%	0.811	67%	0.673	S	S	*	*				51.6	122.5	69.8	-167.2	0	0	0	0	114.4
589	L	43.9	Very low	44.3	Very low	151 Å²	151	112.7 Å²	112.7	79%	0.791	66%	0.663	S	S	*	*			trans	99.5	33.9	165.1	-141.5	85.4	0	0	0	118.8
590	F	38.7	Very low	46	Very low	164 Å²	164	111.2 Å²	111.2	72%	0.719	65%	0.645	S	S	*	*			trans	-131.3	105.6	148.4	-93	-91.8	0	0	0	108.2
591	D	45.3	Very low	47.9	Very low	99 Å²	99	111.9 Å²	111.9	53%	0.529	63%	0.632	S	S	.	*			trans	-95.1	104.9	170.7	-170.4	-9.3	0	0	0	106.9	D593 A594 L595	D591-D593 PolarHBondContact O-N 2.8Å; D591-D593 WeakPolarHBondContact OD1-CB 3.41Å; D591-D593 PolarHBondContact OD1-N 2.9Å; D591-D593 VanDerWaalsContact OD1-N 3.13Å; D591-A594 HydrophobicContact CB-CB 3.72Å; D591-A594 PolarHBondContact O-N 2.97Å; D591-A594 PolarHBondContact OD1-N 2.9Å; D591-L595 PolarHBondContact O-N 2.77Å
592	A	48.8	Very low	49	Very low	69 Å²	69	110.6 Å²	110.6	57%	0.57	62%	0.617	S	S	*	*	H	α-helix	trans	-62.9	-32.4	179.2	0	0	0	0	0	110.6	L595 V596	A592-L595 PolarHBondContact O-N 2.91Å; A592-V596 WeakPolarHBondContact O-CG2 3.43Å; A592-V596 PolarHBondContact O-N 3.39Å
593	D	60.4	Low	50.5	Low	117 Å²	117	111 Å²	111	63%	0.626	61%	0.611	S	S	*	*	H	α-helix	trans	-68	-39.9	177.5	-59.7	-28.8	0	0	0	109.7	D591 L595 V596 D597	D591-D593 PolarHBondContact O-N 2.8Å; D591-D593 WeakPolarHBondContact OD1-CB 3.41Å; D591-D593 PolarHBondContact OD1-N 2.9Å; D591-D593 VanDerWaalsContact OD1-N 3.13Å; D593-L595 VanDerWaalsContact C-N 3.31Å; D593-L595 PolarHBondContact O-N 2.85Å; D593-V596 PolarHBondContact O-N 2.92Å; D593-D597 WeakPolarHBondContact O-CB 3.31Å; D593-D597 VanDerWaalsContact O-CG 3.28Å; D593-D597 PolarHBondContact O-N 2.72Å
594	A	58	Low	52.3	Low	47 Å²	47	110.8 Å²	110.8	39%	0.388	60%	0.6	S	S	.	*	H	α-helix	trans	-65.2	-30.4	174.6	0	0	0	0	0	113.9	D591 E598	D591-A594 HydrophobicContact CB-CB 3.72Å; D591-A594 PolarHBondContact O-N 2.97Å; D591-A594 PolarHBondContact OD1-N 2.9Å; A594-E598 WeakPolarHBondContact O-CB 3.45Å; A594-E598 PolarHBondContact O-N 3.09Å
595	L	50.3	Low	53.9	Low	91 Å²	91	108.5 Å²	108.5	48%	0.476	58%	0.58	S	S	.	*	H	α-helix	trans	-73.4	-40.1	174.4	-175.7	70.7	0	0	0	111.3	D591 A592 D593 D597 E598 L599	D591-L595 PolarHBondContact O-N 2.77Å; A592-L595 PolarHBondContact O-N 2.91Å; D593-L595 VanDerWaalsContact C-N 3.31Å; D593-L595 PolarHBondContact O-N 2.85Å; L595-D597 VanDerWaalsContact C-N 3.34Å; L595-E598 PolarHBondContact O-N 2.83Å; L595-L599 HydrophobicContact CG-CD1 4.3Å; L595-L599 WeakPolarHBondContact O-CB 3.44Å; L595-L599 PolarHBondContact O-N 2.83Å
596	V	65.2	Low	55.5	Low	86 Å²	86	109.4 Å²	109.4	52%	0.521	57%	0.573	S	S	.	*	H	α-helix	trans	-62.6	-43.9	173.6	172.6	0	0	0	0	109.9	A592 D593 E598 L599 E600	A592-V596 WeakPolarHBondContact O-CG2 3.43Å; A592-V596 PolarHBondContact O-N 3.39Å; D593-V596 PolarHBondContact O-N 2.92Å; V596-E598 PolarHBondContact O-N 2.87Å; V596-L599 PolarHBondContact O-N 3.14Å; V596-E600 WeakPolarHBondContact O-CB 3.34Å; V596-E600 PolarHBondContact O-N 3.22Å
597	D	68.5	Low	56.9	Low	100 Å²	100	106.8 Å²	106.8	54%	0.535	56%	0.558	S	S	.	*	H	α-helix	trans	-60.7	-41.9	175.8	-74.4	-16.6	0	0	0	112.4	D593 L595 E600 R601	D593-D597 WeakPolarHBondContact O-CB 3.31Å; D593-D597 VanDerWaalsContact O-CG 3.28Å; D593-D597 PolarHBondContact O-N 2.72Å; L595-D597 VanDerWaalsContact C-N 3.34Å; D597-E600 PolarHBondContact O-N 3.24Å; D597-R601 VanDerWaalsContact O-CB 3.25Å; D597-R601 WeakPolarHBondContact O-CB 3.46Å; D597-R601 PolarHBondContact O-N 3.06Å
598	E	64.1	Low	58.4	Low	77 Å²	77	107.6 Å²	107.6	36%	0.36	55%	0.55	S	S	.	.	H	α-helix	trans	-73	-35.6	178.7	-169.6	65	-167.2	0	0	112.1	A594 L595 V596 R601 H602	A594-E598 WeakPolarHBondContact O-CB 3.45Å; A594-E598 PolarHBondContact O-N 3.09Å; L595-E598 PolarHBondContact O-N 2.83Å; V596-E598 PolarHBondContact O-N 2.87Å; E598-R601 PolarHBondContact O-N 3.29Å; E598-R601 IonicContact OE1-CZ 2.67Å; E598-R601 IonicContact OE1-NH1 3.31Å; E598-R601 PolarHBondContact OE1-NH1 3.07Å; E598-R601 IonicContact OE2-CZ 3.24Å; E598-R601 IonicContact OE2-NH1 2.71Å; E598-R601 PolarHBondContact OE2-NH1 3.39Å; E598-H602 WeakPolarHBondContact O-CB 3.33Å; E598-H602 PolarHBondContact O-CD2 3.24Å; E598-H602 PolarHBondContact O-N 3.44Å; E598-H602 IonicContact OE1-CD2 3.33Å; E598-H602 IonicContact OE1-NE2 3.14Å
599	L	63.1	Low	59.3	Low	109 Å²	109	107.3 Å²	107.3	57%	0.571	53%	0.534	S	S	*	.	H	α-helix	trans	-64.1	-44.8	171.1	-90.4	161.2	0	0	0	111.1	L595 V596 R601 H602 E603	L595-L599 HydrophobicContact CG-CD1 4.3Å; L595-L599 WeakPolarHBondContact O-CB 3.44Å; L595-L599 PolarHBondContact O-N 2.83Å; V596-L599 PolarHBondContact O-N 3.14Å; L599-R601 VanDerWaalsContact C-N 3.28Å; L599-R601 PolarHBondContact O-N 2.97Å; L599-H602 PolarHBondContact O-N 3.18Å; L599-E603 WeakPolarHBondContact O-CB 3.15Å; L599-E603 PolarHBondContact O-N 3.18Å
600	E	73.5	Confident	59.4	Low	88 Å²	88	103 Å²	103	41%	0.411	51%	0.512	S	S	.	.	H	α-helix	trans	-65.2	-34.5	176.7	-159.8	-166	135.7	0	0	111.3	V596 D597 E603 R604	V596-E600 WeakPolarHBondContact O-CB 3.34Å; V596-E600 PolarHBondContact O-N 3.22Å; D597-E600 PolarHBondContact O-N 3.24Å; E600-E603 PolarHBondContact O-N 3.16Å; E600-R604 VanDerWaalsContact CD-NH2 3.33Å; E600-R604 WeakPolarHBondContact O-CB 3.32Å; E600-R604 PolarHBondContact O-N 2.93Å; E600-R604 IonicContact OE1-CZ 3.62Å; E600-R604 IonicContact OE1-NE 3.41Å; E600-R604 IonicContact OE1-NH2 3.84Å; E600-R604 PolarHBondContact OE1-NH2 2.85Å; E600-R604 IonicContact OE2-NH2 2.8Å
601	R	72.5	Confident	60.1	Low	123 Å²	123	96.6 Å²	96.6	46%	0.464	49%	0.485	S	S	.	.	H	α-helix	trans	-68	-40.5	172.3	-179.8	177.7	162	-124.9	-11.9	112.3	D597 E598 L599 R604 M605	D597-R601 VanDerWaalsContact O-CB 3.25Å; D597-R601 WeakPolarHBondContact O-CB 3.46Å; D597-R601 PolarHBondContact O-N 3.06Å; E598-R601 PolarHBondContact O-N 3.29Å; E598-R601 IonicContact OE1-CZ 2.67Å; E598-R601 IonicContact OE1-NH1 3.31Å; E598-R601 PolarHBondContact OE1-NH1 3.07Å; E598-R601 IonicContact OE2-CZ 3.24Å; E598-R601 IonicContact OE2-NH1 2.71Å; E598-R601 PolarHBondContact OE2-NH1 3.39Å; L599-R601 VanDerWaalsContact C-N 3.28Å; L599-R601 PolarHBondContact O-N 2.97Å; R601-R604 PolarHBondContact O-N 2.84Å; R601-M605 WeakPolarHBondContact O-CB 2.94Å; R601-M605 PolarHBondContact O-N 3.43Å
602	H	58.2	Low	60.5	Low	96 Å²	96	95.5 Å²	95.5	44%	0.444	48%	0.476	S	S	.	.	H	α-helix	trans	-66.8	-39.8	173.3	-97.8	-104.4	0	0	0	111.7	E598 L599 M605 L606	E598-H602 WeakPolarHBondContact O-CB 3.33Å; E598-H602 PolarHBondContact O-CD2 3.24Å; E598-H602 PolarHBondContact O-N 3.44Å; E598-H602 IonicContact OE1-CD2 3.33Å; E598-H602 IonicContact OE1-NE2 3.14Å; L599-H602 PolarHBondContact O-N 3.18Å; H602-M605 PolarHBondContact O-N 2.87Å; H602-L606 WeakPolarHBondContact O-CB 3.39Å; H602-L606 WeakPolarHBondContact O-CG 3.41Å; H602-L606 PolarHBondContact O-N 2.95Å
603	E	65.5	Low	60.3	Low	137 Å²	137	93.4 Å²	93.4	64%	0.64	46%	0.455	S	S	*	.	H	α-helix	trans	-64	-41.8	173.8	-172.1	177.4	179.1	0	0	110.9	L599 E600 L606 K607	L599-E603 WeakPolarHBondContact O-CB 3.15Å; L599-E603 PolarHBondContact O-N 3.18Å; E600-E603 PolarHBondContact O-N 3.16Å; E603-L606 PolarHBondContact O-N 2.92Å; E603-K607 WeakPolarHBondContact O-CB 3.47Å; E603-K607 PolarHBondContact O-N 3.28Å
604	R	70.1	Confident	59.5	Low	129 Å²	129	87.9 Å²	87.9	49%	0.487	43%	0.425	S	S	.	.	H	α-helix	trans	-61.3	-42.7	170.5	-91.2	-176.1	-106	136.6	-3.9	112.6	E600 R601 K607 E608	E600-R604 VanDerWaalsContact CD-NH2 3.33Å; E600-R604 WeakPolarHBondContact O-CB 3.32Å; E600-R604 PolarHBondContact O-N 2.93Å; E600-R604 IonicContact OE1-CZ 3.62Å; E600-R604 IonicContact OE1-NE 3.41Å; E600-R604 IonicContact OE1-NH2 3.84Å; E600-R604 PolarHBondContact OE1-NH2 2.85Å; E600-R604 IonicContact OE2-NH2 2.8Å; R601-R604 PolarHBondContact O-N 2.84Å; R604-K607 CarbonylContact O-C 3.6Å; R604-K607 PolarHBondContact O-N 3.42Å; R604-E608 WeakPolarHBondContact O-CB 3.17Å; R604-E608 WeakPolarHBondContact O-CG 3.48Å; R604-E608 PolarHBondContact O-N 3.39Å
605	M	62.2	Low	59.1	Low	93 Å²	93	88.7 Å²	88.7	46%	0.458	42%	0.423	S	S	.	.	H	α-helix	trans	-67.3	-40	178.1	-172	-173.7	-58.2	0	0	112.2	R601 H602 K607 E608 F609	R601-M605 WeakPolarHBondContact O-CB 2.94Å; R601-M605 PolarHBondContact O-N 3.43Å; H602-M605 PolarHBondContact O-N 2.87Å; M605-K607 VanDerWaalsContact C-N 3.34Å; M605-E608 PolarHBondContact O-N 3.09Å; M605-F609 VanDerWaalsContact O-CB 3.32Å; M605-F609 WeakPolarHBondContact O-CB 3.18Å; M605-F609 PolarHBondContact O-N 2.8Å
606	L	60.9	Low	59	Low	108 Å²	108	89.1 Å²	89.1	57%	0.565	42%	0.421	S	S	*	.	H	α-helix	trans	-65	-41	172.8	-74.6	169.5	0	0	0	110.5	H602 E603 F609 D610	H602-L606 WeakPolarHBondContact O-CB 3.39Å; H602-L606 WeakPolarHBondContact O-CG 3.41Å; H602-L606 PolarHBondContact O-N 2.95Å; E603-L606 PolarHBondContact O-N 2.92Å; L606-F609 PolarHBondContact O-N 2.9Å; L606-D610 WeakPolarHBondContact O-CB 3.43Å; L606-D610 PolarHBondContact O-N 3.29Å
607	K	62.1	Low	57.8	Low	130 Å²	130	87.8 Å²	87.8	57%	0.565	41%	0.409	S	S	*	.	H	α-helix	trans	-65.8	-36.2	174.8	-171.9	178.7	177.5	-170.5	0	112.9	E603 R604 M605 D610 D611	E603-K607 WeakPolarHBondContact O-CB 3.47Å; E603-K607 PolarHBondContact O-N 3.28Å; R604-K607 CarbonylContact O-C 3.6Å; R604-K607 PolarHBondContact O-N 3.42Å; M605-K607 VanDerWaalsContact C-N 3.34Å; K607-D610 WeakPolarHBondContact O-CB 3.41Å; K607-D611 VanDerWaalsContact O-CB 3.24Å; K607-D611 WeakPolarHBondContact O-CB 3.44Å; K607-D611 PolarHBondContact O-N 2.98Å
608	E	63.8	Low	56.6	Low	130 Å²	130	86.9 Å²	86.9	61%	0.607	40%	0.404	S	S	*	.	H	α-helix	trans	-70.2	-40.1	172.9	-78.7	174.5	-166.4	0	0	112.2	R604 M605 D610 D611 F612	R604-E608 WeakPolarHBondContact O-CB 3.17Å; R604-E608 WeakPolarHBondContact O-CG 3.48Å; R604-E608 PolarHBondContact O-N 3.39Å; M605-E608 PolarHBondContact O-N 3.09Å; E608-D610 VanDerWaalsContact C-N 3.34Å; E608-D611 CarbonylContact O-C 3.47Å; E608-D611 PolarHBondContact O-N 3.41Å; E608-F612 WeakPolarHBondContact O-CB 3.48Å; E608-F612 PolarHBondContact O-N 3.13Å
609	F	49.3	Very low	55.7	Low	110 Å²	110	87.8 Å²	87.8	48%	0.482	41%	0.411	S	S	.	.	H	α-helix	trans	-65.8	-42.3	174.9	177.2	-103	0	0	0	111.2	M605 L606 L613	M605-F609 VanDerWaalsContact O-CB 3.32Å; M605-F609 WeakPolarHBondContact O-CB 3.18Å; M605-F609 PolarHBondContact O-N 2.8Å; L606-F609 PolarHBondContact O-N 2.9Å; F609-L613 HydrophobicContact CD1-CD1 3.89Å; F609-L613 HydrophobicContact CE1-CD1 3.4Å; F609-L613 HydrophobicContact CE1-CG 4.2Å; F609-L613 HydrophobicContact CZ-CD1 3.79Å; F609-L613 HydrophobicContact CZ-CD2 4.33Å; F609-L613 HydrophobicContact CZ-CG 4.22Å; F609-L613 VanDerWaalsContact O-CG 3.32Å; F609-L613 WeakPolarHBondContact O-CG 3.38Å; F609-L613 PolarHBondContact O-N 2.68Å; F609-L613 VanDerWaalsContact O-N 3.11Å
610	D	47.4	Very low	54.7	Low	60 Å²	60	91.1 Å²	91.1	32%	0.321	42%	0.423	S	S	.	.	H	α-helix	trans	-52.6	-66.1	165.5	-81	4.9	0	0	0	106.5	L539 F543 L606 K607 E608 F612 L613 S614	L539-D610 HydrophobicContact CD1-CB 4.14Å; L539-D610 WeakPolarHBondContact CD1-O 3.41Å; L539-D610 HydrophobicContact CD2-CB 3.41Å; L539-D610 VanDerWaalsContact CD2-CB 3.41Å; L539-D610 WeakPolarHBondContact CD2-O 3.36Å; L539-D610 HydrophobicContact CG-CB 4.28Å; L539-D610 WeakPolarHBondContact CG-O 3.42Å; F543-D610 HydrophobicContact CE2-CB 4.25Å; F543-D610 WeakPolarHBondContact CE2-OD1 3.43Å; F543-D610 WeakPolarHBondContact CZ-OD1 3.34Å; L606-D610 WeakPolarHBondContact O-CB 3.43Å; L606-D610 PolarHBondContact O-N 3.29Å; K607-D610 WeakPolarHBondContact O-CB 3.41Å; E608-D610 VanDerWaalsContact C-N 3.34Å; D610-F612 CarbonylContact O-C 3.59Å; D610-F612 PolarHBondContact O-N 2.83Å; D610-L613 WeakPolarHBondContact O-CA 3.29Å; D610-L613 WeakPolarHBondContact O-CB 3.48Å; D610-L613 PolarHBondContact O-N 3.26Å; D610-S614 PolarHBondContact O-N 2.82Å
611	D	53.9	Low	53.6	Low	30 Å²	30	90.8 Å²	90.8	16%	0.16	43%	0.429	C	S	.	.	H	α-helix	trans	-45.8	-37	-177.4	-75.5	-21.9	0	0	0	113.1	V534 G536 L539 K607 E608 S614	V534-D611 HydrophobicContact CB-CB 4.35Å; V534-D611 WeakPolarHBondContact CB-O 3.46Å; V534-D611 VanDerWaalsContact CG1-O 3.23Å; V534-D611 WeakPolarHBondContact CG1-O 3.48Å; V534-D611 VanDerWaalsContact O-CG 3.27Å; G536-D611 WeakPolarHBondContact CA-OD1 3.27Å; G536-D611 PolarHBondContact N-OD1 3.28Å; G536-D611 VanDerWaalsContact N-OD1 3.15Å; L539-D611 HydrophobicContact CD1-CB 4.21Å; L539-D611 WeakPolarHBondContact CD1-OD1 3.48Å; K607-D611 VanDerWaalsContact O-CB 3.24Å; K607-D611 WeakPolarHBondContact O-CB 3.44Å; K607-D611 PolarHBondContact O-N 2.98Å; E608-D611 CarbonylContact O-C 3.47Å; E608-D611 PolarHBondContact O-N 3.41Å; D611-S614 VanDerWaalsContact O-CB 3.26Å; D611-S614 WeakPolarHBondContact O-CB 3.33Å
612	F	52.6	Low	52.1	Low	76 Å²	76	89.3 Å²	89.3	33%	0.333	43%	0.426	S	S	.	.	H	α-helix	trans	-68.1	-47.5	173	164.3	-98.3	0	0	0	114.3	E608 D610 S614 D615 F616	E608-F612 WeakPolarHBondContact O-CB 3.48Å; E608-F612 PolarHBondContact O-N 3.13Å; D610-F612 CarbonylContact O-C 3.59Å; D610-F612 PolarHBondContact O-N 2.83Å; F612-S614 PolarHBondContact O-N 3.09Å; F612-D615 PolarHBondContact O-N 2.74Å; F612-D615 VanDerWaalsContact O-N 3.13Å; F612-F616 HydrophobicContact CZ-CD2 4.12Å; F612-F616 PolarHBondContact O-N 2.6Å; F612-F616 VanDerWaalsContact O-N 3.12Å
613	L	45.2	Very low	50.9	Low	25 Å²	25	88.1 Å²	88.1	13%	0.131	44%	0.44	C	S	.	.	H	α-helix	trans	-58.8	-35.9	-180	-66.5	170.7	0	0	0	109	L542 F543 F609 D610 D615 F616 Q617	L542-L613 HydrophobicContact CD1-CB 4.32Å; L542-L613 VanDerWaalsContact CD1-O 3.3Å; L542-L613 WeakPolarHBondContact CD1-O 3.5Å; L542-L613 HydrophobicContact CD2-CB 3.56Å; L542-L613 WeakPolarHBondContact CD2-O 3.1Å; L542-L613 HydrophobicContact CG-CB 4.46Å; F543-L613 HydrophobicContact CE1-CD1 3.53Å; F543-L613 HydrophobicContact CE2-CD1 4.07Å; F543-L613 HydrophobicContact CZ-CD1 3.2Å; F609-L613 HydrophobicContact CD1-CD1 3.89Å; F609-L613 HydrophobicContact CE1-CD1 3.4Å; F609-L613 HydrophobicContact CE1-CG 4.2Å; F609-L613 HydrophobicContact CZ-CD1 3.79Å; F609-L613 HydrophobicContact CZ-CD2 4.33Å; F609-L613 HydrophobicContact CZ-CG 4.22Å; F609-L613 VanDerWaalsContact O-CG 3.32Å; F609-L613 WeakPolarHBondContact O-CG 3.38Å; F609-L613 PolarHBondContact O-N 2.68Å; F609-L613 VanDerWaalsContact O-N 3.11Å; D610-L613 WeakPolarHBondContact O-CA 3.29Å; D610-L613 WeakPolarHBondContact O-CB 3.48Å; D610-L613 PolarHBondContact O-N 3.26Å; L613-D615 VanDerWaalsContact C-N 3.3Å; L613-D615 PolarHBondContact O-N 3.23Å; L613-F616 PolarHBondContact O-N 3.48Å; L613-Q617 PolarHBondContact O-N 2.63Å
614	S	42.2	Very low	49.4	Very low	0 Å²	0	87.7 Å²	87.7	0%	0	44%	0.441	C	S	.	.	H	α-helix	trans	-49.2	-50.2	174.5	-105.5	0	0	0	0	112.4	R538 L539 L542 D610 D611 F612 N618	R538-S614 WeakPolarHBondContact CA-OG 3.31Å; R538-S614 WeakPolarHBondContact CB-OG 3.29Å; R538-S614 PolarHBondContact O-OG 3.1Å; L539-S614 WeakPolarHBondContact CA-OG 3.3Å; L539-S614 WeakPolarHBondContact CB-OG 3.48Å; L539-S614 WeakPolarHBondContact CD1-OG 3.36Å; L539-S614 WeakPolarHBondContact CG-OG 3.26Å; L539-S614 PolarHBondContact N-OG 2.96Å; L542-S614 VanDerWaalsContact CD2-CA 3.45Å; D610-S614 PolarHBondContact O-N 2.82Å; D611-S614 VanDerWaalsContact O-CB 3.26Å; D611-S614 WeakPolarHBondContact O-CB 3.33Å; F612-S614 PolarHBondContact O-N 3.09Å; S614-N618 PolarHBondContact O-ND2 3.03Å
615	D	49.5	Very low	47.5	Very low	64 Å²	64	88 Å²	88	34%	0.342	46%	0.456	S	S	.	.	H	α-helix	trans	-76.1	-32.8	-175	-96.6	4.4	0	0	0	112	V534 F612 L613 Q617 N618	V534-D615 HydrophobicContact CG1-CB 3.87Å; V534-D615 WeakPolarHBondContact CG1-OD1 3.45Å; V534-D615 WeakPolarHBondContact CG1-OD2 3.37Å; V534-D615 HydrophobicContact CG2-CB 4.21Å; V534-D615 WeakPolarHBondContact CG2-OD2 3.42Å; F612-D615 PolarHBondContact O-N 2.74Å; F612-D615 VanDerWaalsContact O-N 3.13Å; L613-D615 VanDerWaalsContact C-N 3.3Å; L613-D615 PolarHBondContact O-N 3.23Å; D615-Q617 PolarHBondContact O-N 3.31Å; D615-N618 PolarHBondContact O-N 3.1Å; D615-N618 VanDerWaalsContact O-N 3.14Å
616	F	49.6	Very low	46	Very low	100 Å²	100	92.6 Å²	92.6	44%	0.439	47%	0.469	S	S	.	.	H	α-helix	trans	-62.4	-31.1	178.2	-164.1	-98.9	0	0	0	112.9	F612 L613 N618	F612-F616 HydrophobicContact CZ-CD2 4.12Å; F612-F616 PolarHBondContact O-N 2.6Å; F612-F616 VanDerWaalsContact O-N 3.12Å; L613-F616 PolarHBondContact O-N 3.48Å; F616-N618 VanDerWaalsContact C-N 3.34Å
617	Q	40.4	Very low	44.5	Very low	59 Å²	59	92.9 Å²	92.9	28%	0.276	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-19	176.9	-114.2	-172.4	30.3	0	0	115.6	L542 L613 D615 I619	L542-Q617 HydrophobicContact CB-CB 4.11Å; L542-Q617 HydrophobicContact CB-CG 4.04Å; L542-Q617 VanDerWaalsContact CB-NE2 3.32Å; L542-Q617 HydrophobicContact CD1-CB 3.53Å; L542-Q617 HydrophobicContact CD1-CG 3.1Å; L542-Q617 HydrophobicContact CG-CB 4.21Å; L542-Q617 VanDerWaalsContact CG-CD 3.42Å; L542-Q617 HydrophobicContact CG-CG 3.98Å; L542-Q617 PolarHBondContact O-NE2 2.82Å; L613-Q617 PolarHBondContact O-N 2.63Å; D615-Q617 PolarHBondContact O-N 3.31Å; Q617-I619 VanDerWaalsContact C-N 3.3Å
618	N	41.7	Very low	43.1	Very low	80 Å²	80	92.9 Å²	92.9	43%	0.428	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-2.1	179.8	-69	-72.5	0	0	0	112.7	R538 S614 D615 F616	R538-N618 WeakPolarHBondContact CD-ND2 3.33Å; R538-N618 PolarHBondContact NE-ND2 3.49Å; R538-N618 VanDerWaalsContact NE-ND2 3.19Å; R538-N618 PolarHBondContact NE-OD1 2.74Å; R538-N618 PolarHBondContact NH2-OD1 2.85Å; S614-N618 PolarHBondContact O-ND2 3.03Å; D615-N618 PolarHBondContact O-N 3.1Å; D615-N618 VanDerWaalsContact O-N 3.14Å; F616-N618 VanDerWaalsContact C-N 3.34Å
619	I	45.1	Very low	41.4	Very low	97 Å²	97	92.8 Å²	92.8	50%	0.497	50%	0.496	S	S	.	.	S	Bend	trans	-93.1	109.3	171.6	-58.9	170.4	0	0	0	106.6	Q617 P621	Q617-I619 VanDerWaalsContact C-N 3.3Å; I619-P621 WeakPolarHBondContact O-CD 3.2Å; I619-P621 WeakPolarHBondContact O-CG 3.18Å
620	E	43.6	Very low	40.6	Very low	179 Å²	179	93 Å²	93	84%	0.836	51%	0.507	S	S	*	.			trans	-74.1	101.3	175.2	-165.6	178.8	-153.3	0	0	109.5
621	P	49.7	Very low	39.6	Very low	81 Å²	81	96.6 Å²	96.6	53%	0.526	53%	0.53	S	S	.	.			trans	-99	-5.8	-171.4	8	15.2	0	0	0	112.4	I619	I619-P621 WeakPolarHBondContact O-CD 3.2Å; I619-P621 WeakPolarHBondContact O-CG 3.18Å
622	F	40.5	Very low	38.5	Very low	91 Å²	91	100.5 Å²	100.5	40%	0.399	56%	0.558	S	S	.	*			trans	-138.1	90.2	-170.1	-56.2	-72.4	0	0	0	110.3	I624	F622-I624 PolarHBondContact O-N 2.77Å
623	G	33.4	Very low	37.3	Very low	72 Å²	72	101.8 Å²	101.8	74%	0.742	58%	0.576	S	S	*	*			trans	-63.6	72.5	170.7	0	0	0	0	0	112.8
624	I	34.1	Very low	36.5	Very low	128 Å²	128	107.7 Å²	107.7	66%	0.656	61%	0.607	S	S	*	*			trans	-103.4	99.7	167.4	-59.1	177.1	0	0	0	106.3	F622 R626	F622-I624 PolarHBondContact O-N 2.77Å; I624-R626 PolarHBondContact O-N 3.07Å
625	V	30.5	Very low	36	Very low	135 Å²	135	116 Å²	116	82%	0.818	65%	0.651	S	S	*	*			trans	-58.4	106.9	167.2	179.8	0	0	0	0	107.6
626	R	29.9	Very low	34.9	Very low	189 Å²	189	119.2 Å²	119.2	71%	0.713	67%	0.673	S	S	*	*			trans	-65.9	125.7	164.7	-75.8	-178.5	175.2	173.4	0.6	107.5	I624 T628	I624-R626 PolarHBondContact O-N 3.07Å; R626-T628 PolarHBondContact O-N 3.23Å; R626-T628 VanDerWaalsContact O-N 3.16Å
627	P	30.1	Very low	34	Very low	115 Å²	115	125 Å²	125	75%	0.747	69%	0.692	S	S	*	*			trans	-75.8	105.7	168.9	29	-27.6	0	0	0	108	V629	P627-V629 PolarHBondContact O-N 3.06Å
628	T	32.6	Very low	33.4	Very low	130 Å²	130	130.5 Å²	130.5	80%	0.798	72%	0.717	S	S	*	*			trans	-71.9	104.5	169.1	-20.4	0	0	0	0	108	R626 T630	R626-T628 PolarHBondContact O-N 3.23Å; R626-T628 VanDerWaalsContact O-N 3.16Å; T628-T630 PolarHBondContact O-N 3.44Å
629	V	28	Very low	33	Very low	128 Å²	128	136 Å²	136	78%	0.776	74%	0.741	S	S	*	*			trans	-86.3	103.6	168.5	177.6	0	0	0	0	107.7	P627	P627-V629 PolarHBondContact O-N 3.06Å
630	T	32.3	Very low	32.2	Very low	114 Å²	114	140.1 Å²	140.1	70%	0.699	76%	0.757	S	S	*	*			trans	-141.2	109.4	162	-36.8	0	0	0	0	108.5	T628	T628-T630 PolarHBondContact O-N 3.44Å
631	V	27.7	Very low	31.7	Very low	135 Å²	135	140.5 Å²	140.5	82%	0.818	76%	0.759	S	S	*	*			trans	-96.2	128.7	170.7	-154.1	0	0	0	0	107.6
632	P	29	Very low	30.8	Very low	113 Å²	113	144.7 Å²	144.7	73%	0.734	78%	0.777	S	S	*	*			trans	-126.8	146.2	145	8.8	13	0	0	0	112.5
633	S	28.7	Very low	30.3	Very low	102 Å²	102	146.1 Å²	146.1	71%	0.713	79%	0.793	S	S	*	*			trans	-54.9	154.3	179.6	-48.7	0	0	0	0	114.8
634	D	27.1	Very low	30.2	Very low	149 Å²	149	150.3 Å²	150.3	80%	0.797	80%	0.796	S	S	*	*			trans	67.5	91.1	156.4	-55.7	-35.4	0	0	0	118.4
635	L	32.2	Very low	30.1	Very low	175 Å²	175	150 Å²	150	92%	0.916	80%	0.8	S	S	*	*				-166.4	127	121.8	-131	70.2	0	0	0	113.3
636	V	27.4	Very low	30.1	Very low	132 Å²	132	150.2 Å²	150.2	80%	0.8	80%	0.802	S	S	*	*			trans	-67.8	121.7	171.4	175.1	0	0	0	0	110.2
637	R	29.7	Very low	30.2	Very low	221 Å²	221	144 Å²	144	83%	0.834	80%	0.796	S	S	*	*			trans	170.6	120.7	133.5	-98	169	161.4	178.4	-5.8	114.2
638	Q	28.5	Very low	30.3	Very low	175 Å²	175	144.9 Å²	144.9	82%	0.818	80%	0.8	S	S	*	*			trans	29.5	105.7	142	-76.8	174.5	-36.1	0	0	118.7
639	Q	32.8	Very low	30.2	Very low	196 Å²	196	144.7 Å²	144.7	92%	0.916	80%	0.798	S	S	*	*				-165.2	142.5	123.1	-116.5	176.4	-10.4	0	0	112
640	H	28.3	Very low	30.4	Very low	183 Å²	183	145.9 Å²	145.9	85%	0.847	80%	0.799	S	S	*	*			trans	-76	125.1	-174.3	-70.8	-123.1	0	0	0	111.5
641	Q	34.3	Very low	30.6	Very low	187 Å²	187	147.1 Å²	147.1	87%	0.874	80%	0.801	S	S	*	*			trans	-166.4	143.3	146.8	-111.8	153.9	5.8	0	0	112.9
642	N	30.3	Very low	31	Very low	168 Å²	168	148.3 Å²	148.3	90%	0.898	80%	0.803	S	S	*	*			trans	-68.1	123.4	-165.9	-62.1	-40.7	0	0	0	113
643	V	30.3	Very low	31.4	Very low	121 Å²	121	149.8 Å²	149.8	73%	0.733	80%	0.804	S	S	*	*			trans	-120.5	122.6	167.7	179.4	0	0	0	0	108.5	V645	V643-V645 HydrophobicContact CG1-CG2 3.99Å; V643-V645 PolarHBondContact O-N 3.43Å
644	I	30.9	Very low	31.7	Very low	160 Å²	160	153 Å²	153	82%	0.821	81%	0.814	S	S	*	*			trans	-80.3	112.2	170	-62.9	173.1	0	0	0	107	V646	I644-V646 HydrophobicContact CG2-CG2 4.29Å
645	V	31.4	Very low	32	Very low	122 Å²	122	153.5 Å²	153.5	74%	0.739	82%	0.816	S	S	*	*			trans	-103.6	110.9	172.7	-179.7	0	0	0	0	107.9	V643 G647	V643-V645 HydrophobicContact CG1-CG2 3.99Å; V643-V645 PolarHBondContact O-N 3.43Å; V645-G647 PolarHBondContact O-N 3.48Å
646	V	30.9	Very low	32.1	Very low	140 Å²	140	152.1 Å²	152.1	85%	0.848	82%	0.816	S	S	*	*			trans	-88.5	95.8	167.4	-177.7	0	0	0	0	107.2	I644	I644-V646 HydrophobicContact CG2-CG2 4.29Å
647	G	31.7	Very low	32.4	Very low	58 Å²	58	149.9 Å²	149.9	60%	0.598	81%	0.811	S	S	*	*			trans	-114.6	129.1	172.9	0	0	0	0	0	110.4	V645	V645-G647 PolarHBondContact O-N 3.48Å
648	T	32	Very low	32.4	Very low	134 Å²	134	145.9 Å²	145.9	82%	0.822	81%	0.811	S	S	*	*			trans	-80.9	116.5	169.1	40.7	0	0	0	0	109.4
649	V	31	Very low	32.6	Very low	126 Å²	126	142.9 Å²	142.9	76%	0.764	81%	0.805	S	S	*	*			trans	-89.2	117.9	167.3	179.2	0	0	0	0	107.5
650	I	32.8	Very low	32.5	Very low	153 Å²	153	139.7 Å²	139.7	79%	0.785	80%	0.799	S	S	*	*			trans	-88.9	106.6	170.1	-56.5	174.8	0	0	0	106.7
651	D	35.2	Very low	32.6	Very low	139 Å²	139	135.8 Å²	135.8	74%	0.743	79%	0.791	S	S	*	*			trans	-87.3	143.8	168	-111.1	-22.3	0	0	0	110.3	N653	D651-N653 PolarHBondContact O-N 2.72Å
652	N	35.8	Very low	32.3	Very low	160 Å²	160	134.2 Å²	134.2	86%	0.856	79%	0.787	S	S	*	*	S	Bend	trans	-67.4	26.8	-169.3	-94.6	-17.3	0	0	0	116.5
653	N	38.2	Very low	32.4	Very low	144 Å²	144	131.7 Å²	131.7	77%	0.77	78%	0.778	S	S	*	*	S	Bend	trans	-133.9	109.5	176.6	-77.6	-34.8	0	0	0	110.3	D651 N655	D651-N653 PolarHBondContact O-N 2.72Å; N653-N655 VanDerWaalsContact C-N 3.31Å; N653-N655 PolarHBondContact O-N 2.8Å
654	N	34.4	Very low	32.6	Very low	171 Å²	171	132.1 Å²	132.1	91%	0.914	78%	0.781	S	S	*	*	S	Bend	trans	-47.6	70.9	-179.2	-75.1	-19.1	0	0	0	116.2
655	N	34.5	Very low	32.7	Very low	158 Å²	158	131.3 Å²	131.3	85%	0.845	78%	0.778	S	S	*	*			trans	-153	107.5	165.3	-96.1	-20.9	0	0	0	110.3	N653	N653-N655 VanDerWaalsContact C-N 3.31Å; N653-N655 PolarHBondContact O-N 2.8Å
656	T	33.2	Very low	33	Very low	147 Å²	147	133.7 Å²	133.7	90%	0.902	79%	0.787	S	S	*	*			trans	-98	106.5	177.8	-34.2	0	0	0	0	109.8
657	A	33.8	Very low	33.1	Very low	85 Å²	85	131.4 Å²	131.4	70%	0.702	78%	0.782	S	S	*	*			trans	-115.4	118.7	165.3	0	0	0	0	0	108.7	T659	A657-T659 PolarHBondContact O-N 3.29Å
658	T	30.6	Very low	33.1	Very low	136 Å²	136	134.7 Å²	134.7	83%	0.834	79%	0.791	S	S	*	*			trans	-70.8	113	179.6	-42.8	0	0	0	0	109.9
659	T	32.6	Very low	33.1	Very low	113 Å²	113	133.7 Å²	133.7	69%	0.693	79%	0.785	S	S	*	*			trans	-117.7	115.7	172.7	-50.8	0	0	0	0	109.1	A657	A657-T659 PolarHBondContact O-N 3.29Å
660	T	30.4	Very low	33	Very low	129 Å²	129	133.4 Å²	133.4	79%	0.791	78%	0.784	S	S	*	*			trans	-89.1	107.8	173.3	-50	0	0	0	0	108.6
661	C	29.9	Very low	32.7	Very low	100 Å²	100	132.4 Å²	132.4	68%	0.676	78%	0.784	S	S	*	*			trans	-107.9	117.1	174.2	-59.6	0	0	0	0	109.8
662	I	29.2	Very low	32.4	Very low	155 Å²	155	131.4 Å²	131.4	80%	0.795	79%	0.789	S	S	*	*			trans	-84.2	120.4	168.3	-57.9	170.9	0	0	0	106.8
663	T	31.1	Very low	32.3	Very low	115 Å²	115	128.8 Å²	128.8	71%	0.706	79%	0.789	S	S	*	*			trans	-117.9	110.7	172.4	-56.7	0	0	0	0	109.5
664	T	35	Very low	32	Very low	129 Å²	129	126.4 Å²	126.4	79%	0.791	79%	0.789	S	S	*	*			trans	-94.8	117.8	169	46.4	0	0	0	0	109.4
665	N	33.5	Very low	31.9	Very low	144 Å²	144	124.4 Å²	124.4	77%	0.77	78%	0.783	S	S	*	*			trans	-90	114.5	172.6	-73.2	-17.4	0	0	0	109.8
666	N	36.9	Very low	32	Very low	172 Å²	172	121.5 Å²	121.5	92%	0.92	77%	0.773	S	S	*	*			trans	-137.4	126.8	152.7	-90.9	-19.3	0	0	0	108.9
667	A	33	Very low	31.8	Very low	91 Å²	91	121.8 Å²	121.8	75%	0.752	77%	0.768	S	S	*	*			trans	-84.3	158.2	-168.7	0	0	0	0	0	113.6
668	T	32	Very low	31.7	Very low	127 Å²	127	124.5 Å²	124.5	78%	0.779	77%	0.77	S	S	*	*			trans	83.2	103.1	154.9	-11.3	0	0	0	0	116.5
669	T	32	Very low	31.8	Very low	113 Å²	113	123 Å²	123	69%	0.693	76%	0.761	S	S	*	*				164.1	117.1	93.5	-48.7	0	0	0	0	110.4
670	T	28.3	Very low	31.7	Very low	121 Å²	121	123.3 Å²	123.3	74%	0.742	76%	0.763	S	S	*	*			trans	66.3	115.7	147.7	56.7	0	0	0	0	124.5
671	V	28.2	Very low	31.9	Very low	131 Å²	131	128 Å²	128	79%	0.794	77%	0.766	S	S	*	*				89.3	93.9	125.1	-174.5	0	0	0	0	119.7
672	S	27.5	Very low	32.1	Very low	119 Å²	119	129 Å²	129	83%	0.832	77%	0.77	S	S	*	*				64.4	115.3	115.2	-143.9	0	0	0	0	121.3
673	A	33.3	Very low	32.5	Very low	105 Å²	105	126.4 Å²	126.4	87%	0.868	76%	0.763	S	S	*	*				-169.4	152.5	122.8	0	0	0	0	0	110.7
674	A	32.9	Very low	32.7	Very low	93 Å²	93	130.9 Å²	130.9	77%	0.769	77%	0.768	S	S	*	*			trans	-99.2	154.9	-151.2	0	0	0	0	0	116.6
675	T	31.5	Very low	32.8	Very low	129 Å²	129	129 Å²	129	79%	0.791	76%	0.76	S	S	*	*			trans	-35.1	-179.8	147.1	9.8	0	0	0	0	116.3
676	P	36.3	Very low	33	Very low	98 Å²	98	128.8 Å²	128.8	64%	0.636	76%	0.758	S	S	*	*			cis	-147	178.8	-12.3	31.9	-8.2	0	0	0	117.4
677	L	30.1	Very low	33	Very low	153 Å²	153	127.4 Å²	127.4	80%	0.801	75%	0.75	S	S	*	*			trans	68	135.4	134.9	-76.5	157.3	0	0	0	123.9
678	L	31.8	Very low	33.4	Very low	141 Å²	141	132.2 Å²	132.2	74%	0.738	76%	0.757	S	S	*	*			trans	109.2	100.2	131.6	-120.4	75.8	0	0	0	119.8
679	T	31.8	Very low	33.8	Very low	104 Å²	104	139 Å²	139	64%	0.638	78%	0.783	S	S	*	*				80.8	125.6	117.9	-153.7	0	0	0	0	123.9
680	T	32.1	Very low	33.9	Very low	120 Å²	120	140.3 Å²	140.3	74%	0.736	79%	0.788	S	S	*	*			trans	84	124.6	135.6	38.5	0	0	0	0	123.2
681	R	32.8	Very low	34.2	Very low	227 Å²	227	141.3 Å²	141.3	86%	0.857	79%	0.79	S	S	*	*			trans	85.9	91.7	141.7	-88.1	-178	157.2	-173.5	-5.8	119.6
682	T	34.1	Very low	34.5	Very low	123 Å²	123	141.8 Å²	141.8	76%	0.755	79%	0.79	S	S	*	*				8.8	164	121	57.1	0	0	0	0	120.2
683	P	39.5	Very low	34.9	Very low	100 Å²	100	143.2 Å²	143.2	65%	0.649	79%	0.787	S	S	*	*			cis	-139.8	-168.3	-30.1	32.4	-9.9	0	0	0	112.8
684	Y	34.2	Very low	35	Very low	208 Å²	208	145.6 Å²	145.6	82%	0.816	78%	0.782	S	S	*	*			trans	106.2	104.1	161	-79.1	-79.7	0	0	0	119.1
685	S	37.8	Very low	35.2	Very low	90 Å²	90	149.1 Å²	149.1	63%	0.629	78%	0.783	S	S	*	*				78.7	123.9	118.7	-94.1	0	0	0	0	122.6
686	I	37.7	Very low	35.4	Very low	139 Å²	139	150.5 Å²	150.5	71%	0.713	78%	0.783	S	S	*	*				96.1	113.3	129	-66	162.1	0	0	0	117.6
687	N	36.3	Very low	35.4	Very low	144 Å²	144	154.5 Å²	154.5	77%	0.77	79%	0.794	S	S	*	*			trans	40.1	124.7	140.5	-61	-8.4	0	0	0	120.1
688	E	41.8	Very low	35.8	Very low	192 Å²	192	154.7 Å²	154.7	90%	0.897	79%	0.793	S	S	*	*				-168	138	98	-102.6	-179.9	164.4	0	0	111.1
689	M	39.8	Very low	36.2	Very low	268 Å²	268	155.9 Å²	155.9	100%	1.32	80%	0.798	S	S	*	*			trans	78.9	0	-179.1	-66.8	-171.3	-177.4	0	0	119.4

Retrieved 689 of 689 residues in 189.1 ms (Link to these results)

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