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E3 ubiquitin-protein ligase CBL

E3 ubiquitin-protein ligase which accepts ubiquitin from specific E2 ubiquitin-conjugating enzymes, and transfers it to substrates, generally promoting their degradation by the proteasome.

AlphaFold DB , UniProt , Accession G4VQX3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 684 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	69.5	Low	87.7	Confident	146 Å²	146	68.1 Å²	68.1	72%	0.719	32%	0.322	S	S	*	.				0	123.7	0	-153.6	171.4	109	0	0	109.1	S61	M1-S61 WeakPolarHBondContact CG-OG 3.28Å
2	I	82	Confident	88.4	Confident	15 Å²	15	73.3 Å²	73.3	8%	0.077	34%	0.342	C	S	.	.			trans	-88.4	118.7	179.4	-69.2	-61.7	0	0	0	108.4	C6 V7 S61 Q67 I70	I2-C6 HydrophobicContact CD1-CB 4.34Å; I2-C6 HydrophobicContact CG2-CB 3.82Å; I2-V7 HydrophobicContact CG2-CG2 4.05Å; I2-S61 WeakPolarHBondContact O-CB 3.38Å; I2-Q67 HydrophobicContact CG1-CB 4.05Å; I2-Q67 HydrophobicContact CG1-CG 4.08Å; I2-I70 HydrophobicContact CD1-CG2 4.27Å; I2-I70 HydrophobicContact CG1-CB 4.35Å; I2-I70 HydrophobicContact CG1-CG2 4.47Å; I2-I70 HydrophobicContact CG2-CB 4.29Å; I2-I70 HydrophobicContact CG2-CG1 4.38Å; I2-I70 HydrophobicContact CG2-CG2 3.91Å
3	D	85.1	Confident	89	Confident	70 Å²	70	73.2 Å²	73.2	37%	0.374	34%	0.338	S	S	.	.			trans	-85.5	167.4	175.3	77.7	-1.8	0	0	0	111.5	K5 C6 V7	D3-K5 PolarHBondContact O-N 3.32Å; D3-K5 VanDerWaalsContact O-N 3.11Å; D3-K5 WeakPolarHBondContact OD1-CA 3.38Å; D3-K5 VanDerWaalsContact OD1-CB 3.29Å; D3-K5 WeakPolarHBondContact OD1-CB 3.38Å; D3-K5 PolarHBondContact OD1-N 3.31Å; D3-C6 WeakPolarHBondContact O-CB 3.49Å; D3-C6 PolarHBondContact O-N 2.86Å; D3-C6 VanDerWaalsContact O-N 3.12Å; D3-C6 PolarHBondContact OD1-N 3.16Å; D3-C6 PolarHBondContact OD1-SG 3.39Å; D3-C6 VanDerWaalsContact OD1-SG 3.41Å; D3-V7 PolarHBondContact O-N 2.98Å
4	R	86.9	Confident	89.5	Confident	125 Å²	125	67.9 Å²	67.9	47%	0.472	31%	0.313	S	S	.	.	H	α-helix	trans	-59.2	-23.9	175.7	-68.2	-174.1	178	-161	0.8	112.5	N8 E54 Y57	R4-N8 PolarHBondContact O-N 2.91Å; R4-N8 VanDerWaalsContact O-N 3.13Å; R4-N8 PolarHBondContact O-ND2 2.87Å; R4-N8 VanDerWaalsContact O-ND2 3.13Å; R4-E54 PolarHBondContact NH2-O 2.87Å; R4-Y57 HydrophobicContact CG-CD1 4.02Å; R4-Y57 HydrophobicContact CG-CD2 4.19Å; R4-Y57 HydrophobicContact CG-CE1 3.73Å; R4-Y57 HydrophobicContact CG-CE2 3.91Å; R4-Y57 HydrophobicContact CG-CG 4.24Å
5	K	88.1	Confident	89.9	Confident	128 Å²	128	68.2 Å²	68.2	56%	0.557	32%	0.318	S	S	*	.	H	α-helix	trans	-71	-41.5	177.3	-59.5	179.2	178.7	177.7	0	110.8	D3 V7 N8 F9	D3-K5 PolarHBondContact O-N 3.32Å; D3-K5 VanDerWaalsContact O-N 3.11Å; D3-K5 WeakPolarHBondContact OD1-CA 3.38Å; D3-K5 VanDerWaalsContact OD1-CB 3.29Å; D3-K5 WeakPolarHBondContact OD1-CB 3.38Å; D3-K5 PolarHBondContact OD1-N 3.31Å; K5-V7 VanDerWaalsContact C-N 3.33Å; K5-V7 PolarHBondContact O-N 2.78Å; K5-N8 WeakPolarHBondContact O-CB 3.44Å; K5-N8 PolarHBondContact O-N 3.07Å; K5-N8 VanDerWaalsContact O-N 3.14Å; K5-F9 HydrophobicContact CB-CE2 4.32Å; K5-F9 WeakPolarHBondContact O-CD2 3.39Å; K5-F9 PolarHBondContact O-N 3.15Å
6	C	90	Very high	90.3	Very high	41 Å²	41	70.1 Å²	70.1	28%	0.277	33%	0.325	S	S	.	.	H	α-helix	trans	-56.9	-45	174.3	-75.7	0	0	0	0	111.7	I2 D3 N8 F9 C10	I2-C6 HydrophobicContact CD1-CB 4.34Å; I2-C6 HydrophobicContact CG2-CB 3.82Å; D3-C6 WeakPolarHBondContact O-CB 3.49Å; D3-C6 PolarHBondContact O-N 2.86Å; D3-C6 VanDerWaalsContact O-N 3.12Å; D3-C6 PolarHBondContact OD1-N 3.16Å; D3-C6 PolarHBondContact OD1-SG 3.39Å; D3-C6 VanDerWaalsContact OD1-SG 3.41Å; C6-N8 PolarHBondContact O-N 3.37Å; C6-F9 WeakPolarHBondContact O-CB 3.29Å; C6-F9 PolarHBondContact O-N 3.1Å; C6-C10 PolarHBondContact O-N 3.34Å
7	V	90.6	Very high	90.7	Very high	4 Å²	4	65.9 Å²	65.9	2%	0.024	31%	0.306	C	S	.	.	H	α-helix	trans	-61.3	-45.3	174.4	-178.4	0	0	0	0	111.1	I2 D3 K5 F9 C10 Y11 I50 Y57	I2-V7 HydrophobicContact CG2-CG2 4.05Å; D3-V7 PolarHBondContact O-N 2.98Å; K5-V7 VanDerWaalsContact C-N 3.33Å; K5-V7 PolarHBondContact O-N 2.78Å; V7-F9 VanDerWaalsContact C-N 3.26Å; V7-F9 PolarHBondContact O-N 2.76Å; V7-C10 WeakPolarHBondContact O-CA 3.36Å; V7-C10 WeakPolarHBondContact O-CB 3.41Å; V7-C10 PolarHBondContact O-N 3Å; V7-Y11 HydrophobicContact CG1-CD2 4.02Å; V7-Y11 HydrophobicContact CG1-CE2 3.46Å; V7-Y11 VanDerWaalsContact CG1-CE2 3.46Å; V7-Y11 PolarHBondContact O-N 3.11Å; V7-I50 HydrophobicContact CB-CD1 4.3Å; V7-I50 HydrophobicContact CG1-CD1 3.33Å; V7-I50 HydrophobicContact CG2-CD1 4.16Å; V7-Y57 VanDerWaalsContact CG2-OH 3.25Å; V7-Y57 WeakPolarHBondContact CG2-OH 3.43Å
8	N	91.3	Very high	91	Very high	90 Å²	90	63.4 Å²	63.4	48%	0.481	30%	0.296	S	S	.	.	H	α-helix	trans	-60.8	-35.4	177	-74.3	-34.8	0	0	0	112.7	R4 K5 C6 K12	R4-N8 PolarHBondContact O-N 2.91Å; R4-N8 VanDerWaalsContact O-N 3.13Å; R4-N8 PolarHBondContact O-ND2 2.87Å; R4-N8 VanDerWaalsContact O-ND2 3.13Å; K5-N8 WeakPolarHBondContact O-CB 3.44Å; K5-N8 PolarHBondContact O-N 3.07Å; K5-N8 VanDerWaalsContact O-N 3.14Å; C6-N8 PolarHBondContact O-N 3.37Å; N8-K12 WeakPolarHBondContact O-CG 3.38Å; N8-K12 PolarHBondContact O-N 3.41Å
9	F	91.9	Very high	91.2	Very high	107 Å²	107	68.3 Å²	68.3	47%	0.469	31%	0.311	S	S	.	.	H	α-helix	trans	-66.5	-41.2	171.6	-73.1	-61.6	0	0	0	111.9	K5 C6 V7 Y11 K12 Y13	K5-F9 HydrophobicContact CB-CE2 4.32Å; K5-F9 WeakPolarHBondContact O-CD2 3.39Å; K5-F9 PolarHBondContact O-N 3.15Å; C6-F9 WeakPolarHBondContact O-CB 3.29Å; C6-F9 PolarHBondContact O-N 3.1Å; V7-F9 VanDerWaalsContact C-N 3.26Å; V7-F9 PolarHBondContact O-N 2.76Å; F9-Y11 PolarHBondContact O-N 3.14Å; F9-K12 PolarHBondContact O-N 3.44Å; F9-Y13 WeakPolarHBondContact O-CD2 3.3Å; F9-Y13 PolarHBondContact O-N 3.34Å
10	C	94.1	Very high	91.4	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-54.9	-50.4	174.7	-170.4	0	0	0	0	111.3	C6 V7 K12 Y13 L14 L73 I74	C6-C10 PolarHBondContact O-N 3.34Å; V7-C10 WeakPolarHBondContact O-CA 3.36Å; V7-C10 WeakPolarHBondContact O-CB 3.41Å; V7-C10 PolarHBondContact O-N 3Å; C10-K12 PolarHBondContact O-N 2.97Å; C10-Y13 PolarHBondContact O-N 3.14Å; C10-Y13 VanDerWaalsContact O-N 3.1Å; C10-L14 WeakPolarHBondContact O-CG 3.49Å; C10-L14 PolarHBondContact O-N 3.46Å; C10-L73 WeakPolarHBondContact SG-CD2 3.34Å; C10-L73 VanDerWaalsContact SG-CG 3.59Å; C10-I74 HydrophobicContact CB-CD1 4.22Å; C10-I74 HydrophobicContact CB-CG1 3.77Å
11	Y	95.4	Very high	91.5	Very high	23 Å²	23	63.6 Å²	63.6	9%	0.09	29%	0.291	C	S	.	.	H	α-helix	trans	-56.8	-45.4	176.2	-68.8	-41.8	0	0	0	113.1	V7 F9 Y13 L14 D15 Y43 L46 Q47	V7-Y11 HydrophobicContact CG1-CD2 4.02Å; V7-Y11 HydrophobicContact CG1-CE2 3.46Å; V7-Y11 VanDerWaalsContact CG1-CE2 3.46Å; V7-Y11 PolarHBondContact O-N 3.11Å; F9-Y11 PolarHBondContact O-N 3.14Å; Y11-Y13 VanDerWaalsContact C-N 3.27Å; Y11-Y13 PolarHBondContact O-N 3.19Å; Y11-L14 HydrophobicContact CD1-CD1 4.44Å; Y11-L14 PolarHBondContact O-N 3.2Å; Y11-D15 PolarHBondContact O-N 3.36Å; Y11-Y43 AromaticContact CD1-CD2 3.28Å; Y11-Y43 HydrophobicContact CD1-CD2 3.28Å; Y11-Y43 AromaticContact CD1-CE2 3.21Å; Y11-Y43 HydrophobicContact CD1-CE2 3.21Å; Y11-Y43 HydrophobicContact CD1-CG 4.16Å; Y11-Y43 HydrophobicContact CD2-CE2 4.49Å; Y11-Y43 AromaticContact CE1-CD2 3.71Å; Y11-Y43 HydrophobicContact CE1-CD2 3.71Å; Y11-Y43 AromaticContact CE1-CE2 3.81Å; Y11-Y43 HydrophobicContact CE1-CE2 3.81Å; Y11-Y43 HydrophobicContact CE1-CG 4.14Å; Y11-Y43 HydrophobicContact CG-CD2 4.15Å; Y11-Y43 AromaticContact CG-CE2 3.63Å; Y11-Y43 HydrophobicContact CG-CE2 3.63Å; Y11-L46 HydrophobicContact CE1-CB 4.16Å; Y11-L46 HydrophobicContact CE1-CD1 4.37Å; Y11-Q47 PolarHBondContact OH-N 3.29Å
12	K	95.5	Very high	92.6	Very high	130 Å²	130	62 Å²	62	57%	0.565	28%	0.282	S	S	*	.	H	α-helix	trans	-59.9	-37.1	176.9	-71.7	174.4	-178.2	178.2	0	112.9	N8 F9 C10 K16	N8-K12 WeakPolarHBondContact O-CG 3.38Å; N8-K12 PolarHBondContact O-N 3.41Å; F9-K12 PolarHBondContact O-N 3.44Å; C10-K12 PolarHBondContact O-N 2.97Å; K12-K16 WeakPolarHBondContact O-CB 3.35Å; K12-K16 PolarHBondContact O-N 2.94Å
13	Y	96.2	Very high	93	Very high	72 Å²	72	64.6 Å²	64.6	28%	0.282	29%	0.294	S	S	.	.	H	α-helix	trans	-69.8	-44.3	176.6	-78.8	-60.9	0	0	0	111.5	F9 C10 Y11 K16 V17 I74 K78 I81	F9-Y13 WeakPolarHBondContact O-CD2 3.3Å; F9-Y13 PolarHBondContact O-N 3.34Å; C10-Y13 PolarHBondContact O-N 3.14Å; C10-Y13 VanDerWaalsContact O-N 3.1Å; Y11-Y13 VanDerWaalsContact C-N 3.27Å; Y11-Y13 PolarHBondContact O-N 3.19Å; Y13-K16 WeakPolarHBondContact O-CB 3.31Å; Y13-K16 PolarHBondContact O-N 3.3Å; Y13-K16 VanDerWaalsContact O-N 3.15Å; Y13-V17 WeakPolarHBondContact O-CG2 3.42Å; Y13-V17 PolarHBondContact O-N 3.04Å; Y13-I74 HydrophobicContact CD2-CG2 4.15Å; Y13-I74 HydrophobicContact CE2-CG2 4.08Å; Y13-K78 HydrophobicContact CD1-CG 4.3Å; Y13-K78 HydrophobicContact CE1-CG 3.83Å; Y13-K78 HydrophobicContact CE2-CG 4.35Å; Y13-K78 WeakPolarHBondContact OH-CE 3.45Å; Y13-I81 HydrophobicContact CD1-CD1 3.52Å; Y13-I81 HydrophobicContact CE1-CD1 4.24Å; Y13-I81 HydrophobicContact CG-CD1 4.48Å
14	L	96.7	Very high	93.1	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-58.3	-48	175	-66.7	176	0	0	0	111.7	C10 Y11 K16 V17 V18 I39 I42 L73 Y109	C10-L14 WeakPolarHBondContact O-CG 3.49Å; C10-L14 PolarHBondContact O-N 3.46Å; Y11-L14 HydrophobicContact CD1-CD1 4.44Å; Y11-L14 PolarHBondContact O-N 3.2Å; L14-K16 PolarHBondContact O-N 3.16Å; L14-V17 WeakPolarHBondContact O-CB 3.45Å; L14-V17 PolarHBondContact O-N 2.81Å; L14-V18 WeakPolarHBondContact O-CG2 3.22Å; L14-V18 PolarHBondContact O-N 3.34Å; L14-I39 HydrophobicContact CB-CG2 3.81Å; L14-I39 HydrophobicContact CD2-CG2 3.95Å; L14-I39 HydrophobicContact CG-CG2 4.3Å; L14-I42 HydrophobicContact CD1-CG2 4.47Å; L14-L73 HydrophobicContact CD1-CD2 4.16Å; L14-L73 HydrophobicContact CD2-CD1 4Å; L14-L73 HydrophobicContact CD2-CG 4.17Å; L14-Y109 HydrophobicContact CD2-CE1 4.03Å
15	D	95.9	Very high	93.2	Very high	72 Å²	72	67.9 Å²	67.9	39%	0.385	32%	0.321	S	S	.	.	H	α-helix	trans	-57.7	-36.2	176.3	-71	-21	0	0	0	112.4	Y11 R19	Y11-D15 PolarHBondContact O-N 3.36Å; D15-R19 WeakPolarHBondContact O-CG 3.49Å; D15-R19 PolarHBondContact O-N 3.04Å; D15-R19 VanDerWaalsContact O-N 3.12Å; D15-R19 PolarHBondContact O-NE 3.11Å; D15-R19 VanDerWaalsContact O-NE 3.11Å
16	K	96.3	Very high	93.1	Very high	98 Å²	98	61.9 Å²	61.9	43%	0.426	30%	0.295	S	S	.	.	H	α-helix	trans	-70.9	-40.8	176.9	-174	168.8	174.6	-179.1	0	111.4	K12 Y13 L14 R19 L20 I81	K12-K16 WeakPolarHBondContact O-CB 3.35Å; K12-K16 PolarHBondContact O-N 2.94Å; Y13-K16 WeakPolarHBondContact O-CB 3.31Å; Y13-K16 PolarHBondContact O-N 3.3Å; Y13-K16 VanDerWaalsContact O-N 3.15Å; L14-K16 PolarHBondContact O-N 3.16Å; K16-R19 PolarHBondContact O-N 3.14Å; K16-L20 HydrophobicContact CG-CD1 4.36Å; K16-L20 VanDerWaalsContact O-CG 3.31Å; K16-L20 WeakPolarHBondContact O-CG 3.4Å; K16-L20 PolarHBondContact O-N 3.32Å; K16-L20 VanDerWaalsContact O-N 3.09Å; K16-I81 HydrophobicContact CB-CD1 4.05Å; K16-I81 HydrophobicContact CD-CD1 3.83Å; K16-I81 HydrophobicContact CD-CG1 4.23Å; K16-I81 HydrophobicContact CD-CG2 4.3Å; K16-I81 HydrophobicContact CG-CD1 3.97Å; K16-I81 HydrophobicContact CG-CG1 4.1Å
17	V	96.3	Very high	92.8	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-61.9	-46	174.9	174.4	0	0	0	0	110.9	Y13 L14 R19 L20 C21 I35 I39 T80 I81	Y13-V17 WeakPolarHBondContact O-CG2 3.42Å; Y13-V17 PolarHBondContact O-N 3.04Å; L14-V17 WeakPolarHBondContact O-CB 3.45Å; L14-V17 PolarHBondContact O-N 2.81Å; V17-R19 PolarHBondContact O-N 3.18Å; V17-L20 PolarHBondContact O-N 3.41Å; V17-C21 PolarHBondContact O-N 3.06Å; V17-C21 PolarHBondContact O-SG 2.93Å; V17-I35 HydrophobicContact CG1-CD1 4.1Å; V17-I39 HydrophobicContact CB-CD1 3.96Å; V17-I39 HydrophobicContact CG1-CD1 3.37Å; V17-T80 HydrophobicContact CB-CG2 4.49Å; V17-T80 HydrophobicContact CG1-CG2 3.63Å; V17-T80 HydrophobicContact CG2-CG2 4.07Å; V17-I81 HydrophobicContact CG2-CD1 4.18Å; V17-I81 HydrophobicContact CG2-CG1 3.88Å
18	V	95.8	Very high	92.4	Very high	21 Å²	21	65.6 Å²	65.6	13%	0.127	32%	0.318	C	S	.	.	H	α-helix	trans	-57.4	-49.5	177	171.8	0	0	0	0	110.8	L14 L20 C21 Q22 L36 I39	L14-V18 WeakPolarHBondContact O-CG2 3.22Å; L14-V18 PolarHBondContact O-N 3.34Å; V18-L20 VanDerWaalsContact C-N 3.29Å; V18-L20 PolarHBondContact O-N 3.42Å; V18-C21 CarbonylContact O-C 3.55Å; V18-C21 PolarHBondContact O-N 3.41Å; V18-C21 VanDerWaalsContact O-N 3.08Å; V18-Q22 HydrophobicContact CG1-CG 4.17Å; V18-Q22 WeakPolarHBondContact O-CB 3.05Å; V18-Q22 VanDerWaalsContact O-CG 3.28Å; V18-Q22 WeakPolarHBondContact O-CG 3.37Å; V18-Q22 PolarHBondContact O-N 3.33Å; V18-L36 HydrophobicContact CG1-CD2 4.2Å; V18-I39 HydrophobicContact CG2-CB 3.86Å; V18-I39 HydrophobicContact CG2-CD1 4.21Å; V18-I39 HydrophobicContact CG2-CG2 3.45Å; V18-I39 VanDerWaalsContact CG2-CG2 3.45Å
19	R	95.1	Very high	91.8	Very high	156 Å²	156	67.4 Å²	67.4	59%	0.589	32%	0.322	S	S	*	.	H	α-helix	trans	-59.2	-37.1	177.8	-77.2	-180	-71.8	-161	-1.7	113.5	D15 K16 V17	D15-R19 WeakPolarHBondContact O-CG 3.49Å; D15-R19 PolarHBondContact O-N 3.04Å; D15-R19 VanDerWaalsContact O-N 3.12Å; D15-R19 PolarHBondContact O-NE 3.11Å; D15-R19 VanDerWaalsContact O-NE 3.11Å; K16-R19 PolarHBondContact O-N 3.14Å; V17-R19 PolarHBondContact O-N 3.18Å
20	L	94.7	Very high	91.2	Very high	33 Å²	33	66.3 Å²	66.3	17%	0.173	33%	0.332	C	S	.	.	H	α-helix	trans	-68.8	-40.3	175.5	-70.6	168.2	0	0	0	111.4	K16 V17 V18 Q22 Q23 I81 F84	K16-L20 HydrophobicContact CG-CD1 4.36Å; K16-L20 VanDerWaalsContact O-CG 3.31Å; K16-L20 WeakPolarHBondContact O-CG 3.4Å; K16-L20 PolarHBondContact O-N 3.32Å; K16-L20 VanDerWaalsContact O-N 3.09Å; V17-L20 PolarHBondContact O-N 3.41Å; V18-L20 VanDerWaalsContact C-N 3.29Å; V18-L20 PolarHBondContact O-N 3.42Å; L20-Q22 VanDerWaalsContact C-N 3.35Å; L20-Q23 VanDerWaalsContact O-CG 3.28Å; L20-Q23 WeakPolarHBondContact O-CG 3.25Å; L20-Q23 PolarHBondContact O-N 3.44Å; L20-I81 HydrophobicContact CD1-CB 4.4Å; L20-I81 HydrophobicContact CD1-CG1 3.99Å; L20-I81 HydrophobicContact CD1-CG2 4.45Å; L20-F84 HydrophobicContact CB-CD1 3.97Å; L20-F84 HydrophobicContact CB-CD2 3.92Å; L20-F84 HydrophobicContact CB-CE1 3.95Å; L20-F84 HydrophobicContact CB-CE2 3.92Å; L20-F84 HydrophobicContact CB-CG 3.96Å; L20-F84 HydrophobicContact CB-CZ 3.94Å; L20-F84 HydrophobicContact CD1-CB 3.99Å; L20-F84 HydrophobicContact CD1-CD2 3.97Å; L20-F84 HydrophobicContact CD1-CG 4Å; L20-F84 HydrophobicContact CD2-CB 4.21Å; L20-F84 HydrophobicContact CD2-CD1 4.27Å; L20-F84 HydrophobicContact CD2-CG 4.23Å; L20-F84 HydrophobicContact CG-CD2 4.47Å; L20-F84 HydrophobicContact CG-CG 4.29Å; L20-F84 WeakPolarHBondContact O-CE1 3.5Å
21	C	93.5	Very high	90.3	Very high	4 Å²	4	67.5 Å²	67.5	3%	0.027	34%	0.341	C	S	.	.	H	α-helix	trans	-74.8	-22.9	179.8	-64.6	0	0	0	0	113.4	V17 V18 Q23 L26 L28 I35 L36	V17-C21 PolarHBondContact O-N 3.06Å; V17-C21 PolarHBondContact O-SG 2.93Å; V18-C21 CarbonylContact O-C 3.55Å; V18-C21 PolarHBondContact O-N 3.41Å; V18-C21 VanDerWaalsContact O-N 3.08Å; C21-Q23 PolarHBondContact O-N 3.45Å; C21-L26 HydrophobicContact CB-CD2 4.37Å; C21-L26 WeakPolarHBondContact O-CD2 3.25Å; C21-L28 HydrophobicContact CB-CD1 4Å; C21-L28 WeakPolarHBondContact O-CD1 3.29Å; C21-I35 HydrophobicContact CB-CG2 4.01Å; C21-L36 HydrophobicContact CB-CD2 3.55Å; C21-L36 HydrophobicContact CB-CG 4.19Å
22	Q	93.1	Very high	89.6	Confident	114 Å²	114	69.5 Å²	69.5	53%	0.533	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-6.3	176.5	-77.6	173.8	-17.6	0	0	114.1	V18 L20 P24 L36	V18-Q22 HydrophobicContact CG1-CG 4.17Å; V18-Q22 WeakPolarHBondContact O-CB 3.05Å; V18-Q22 VanDerWaalsContact O-CG 3.28Å; V18-Q22 WeakPolarHBondContact O-CG 3.37Å; V18-Q22 PolarHBondContact O-N 3.33Å; L20-Q22 VanDerWaalsContact C-N 3.35Å; Q22-P24 WeakPolarHBondContact O-CD 3.45Å; Q22-L36 HydrophobicContact CG-CD1 4.31Å; Q22-L36 HydrophobicContact CG-CD2 3.78Å
23	Q	90.7	Very high	88.8	Confident	68 Å²	68	63.9 Å²	63.9	32%	0.318	33%	0.334	S	S	.	.			trans	-59.1	121.7	-179.9	-70.6	179.6	-10	0	0	110.8	L20 C21 K25 L26 F92	L20-Q23 VanDerWaalsContact O-CG 3.28Å; L20-Q23 WeakPolarHBondContact O-CG 3.25Å; L20-Q23 PolarHBondContact O-N 3.44Å; C21-Q23 PolarHBondContact O-N 3.45Å; Q23-K25 PolarHBondContact O-N 3.22Å; Q23-K25 VanDerWaalsContact O-N 3.1Å; Q23-L26 WeakPolarHBondContact O-CB 3.41Å; Q23-L26 PolarHBondContact O-N 3.49Å; Q23-F92 HydrophobicContact CB-CE1 4.44Å; Q23-F92 VanDerWaalsContact OE1-CZ 3.22Å
24	P	87.3	Confident	88.5	Confident	125 Å²	125	63 Å²	63	81%	0.812	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-57.8	-33	-174.1	-28.3	35.1	0	0	0	114.2	Q22 L26 S27	Q22-P24 WeakPolarHBondContact O-CD 3.45Å; P24-L26 PolarHBondContact O-N 3.14Å; P24-L26 VanDerWaalsContact O-N 3.16Å; P24-S27 PolarHBondContact O-N 3.13Å
25	K	89	Confident	88.3	Confident	140 Å²	140	63 Å²	63	61%	0.609	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-57	-28.2	175.6	-68.1	-174.2	176.6	-174.7	0	113	Q23 S27 F92	Q23-K25 PolarHBondContact O-N 3.22Å; Q23-K25 VanDerWaalsContact O-N 3.1Å; K25-S27 VanDerWaalsContact C-N 3.26Å; K25-S27 PolarHBondContact O-N 3.12Å; K25-F92 HydrophobicContact CB-CD1 3.66Å; K25-F92 HydrophobicContact CB-CE1 3.91Å; K25-F92 HydrophobicContact CB-CG 4.15Å; K25-F92 HydrophobicContact CD-CE2 4.5Å
26	L	85.9	Confident	88.1	Confident	1 Å²	1	61 Å²	61	1%	0.005	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-72	-21.2	-176.1	-163	65.9	0	0	0	112.5	C21 Q23 P24 L28 F84 I91 F92 R99 L102	C21-L26 HydrophobicContact CB-CD2 4.37Å; C21-L26 WeakPolarHBondContact O-CD2 3.25Å; Q23-L26 WeakPolarHBondContact O-CB 3.41Å; Q23-L26 PolarHBondContact O-N 3.49Å; P24-L26 PolarHBondContact O-N 3.14Å; P24-L26 VanDerWaalsContact O-N 3.16Å; L26-L28 HydrophobicContact CD2-CD1 3.7Å; L26-L28 HydrophobicContact CD2-CD2 4.3Å; L26-L28 HydrophobicContact CD2-CG 3.8Å; L26-L28 HydrophobicContact CG-CD1 4.44Å; L26-L28 HydrophobicContact CG-CD2 4.44Å; L26-L28 HydrophobicContact CG-CG 4.01Å; L26-L28 PolarHBondContact O-N 2.9Å; L26-F84 HydrophobicContact CD1-CE1 4.41Å; L26-F84 HydrophobicContact CD2-CE1 4.17Å; L26-F84 HydrophobicContact CD2-CZ 3.95Å; L26-I91 HydrophobicContact CD1-CG1 4.25Å; L26-I91 HydrophobicContact CD1-CG2 4.45Å; L26-I91 WeakPolarHBondContact CD1-O 3.38Å; L26-F92 HydrophobicContact CB-CD1 4.35Å; L26-F92 HydrophobicContact CD1-CD1 4.02Å; L26-F92 HydrophobicContact CD1-CE1 4.42Å; L26-R99 PolarHBondContact O-NH1 3.38Å; L26-R99 PolarHBondContact O-NH2 3.06Å; L26-L102 HydrophobicContact CD1-CD2 4.22Å; L26-L102 HydrophobicContact CD2-CD2 4.01Å
27	S	84.5	Confident	88	Confident	82 Å²	82	60.7 Å²	60.7	57%	0.573	32%	0.322	S	S	*	.			trans	42.9	45.3	174.3	60.5	0	0	0	0	114.3	P24 K25 K29	P24-S27 PolarHBondContact O-N 3.13Å; K25-S27 VanDerWaalsContact C-N 3.26Å; K25-S27 PolarHBondContact O-N 3.12Å; S27-K29 PolarHBondContact O-N 3.02Å
28	L	80.9	Confident	88	Confident	41 Å²	41	61.3 Å²	61.3	22%	0.215	33%	0.326	C	S	.	.			trans	-62	126.2	177.5	-73.3	171	0	0	0	109.6	C21 L26 Y34 I35 L36 R99	C21-L28 HydrophobicContact CB-CD1 4Å; C21-L28 WeakPolarHBondContact O-CD1 3.29Å; L26-L28 HydrophobicContact CD2-CD1 3.7Å; L26-L28 HydrophobicContact CD2-CD2 4.3Å; L26-L28 HydrophobicContact CD2-CG 3.8Å; L26-L28 HydrophobicContact CG-CD1 4.44Å; L26-L28 HydrophobicContact CG-CD2 4.44Å; L26-L28 HydrophobicContact CG-CG 4.01Å; L26-L28 PolarHBondContact O-N 2.9Å; L28-Y34 HydrophobicContact CB-CE2 4.02Å; L28-I35 HydrophobicContact CD1-CG2 3.88Å; L28-L36 HydrophobicContact CD1-CD1 4.16Å; L28-L36 HydrophobicContact CD1-CG 4.25Å; L28-R99 VanDerWaalsContact CD2-NH1 3.25Å
29	K	79.8	Confident	88	Confident	128 Å²	128	60.5 Å²	60.5	56%	0.557	32%	0.321	S	S	*	.			trans	-75.6	141.9	171.1	-64.7	-177.5	179.8	179.5	0	108.7	S27 S31 Y34 D226	S27-K29 PolarHBondContact O-N 3.02Å; K29-S31 PolarHBondContact O-N 3.13Å; K29-Y34 VanDerWaalsContact O-CD2 3.28Å; K29-Y34 WeakPolarHBondContact O-CD2 3.09Å; K29-D226 WeakPolarHBondContact CD-OD2 3.48Å
30	A	78.4	Confident	88	Confident	84 Å²	84	55.3 Å²	55.3	69%	0.694	31%	0.308	S	S	*	.	S	Bend	trans	-75.1	50.3	171	0	0	0	0	0	111.3	Y34	A30-Y34 HydrophobicContact CB-CE1 4.44Å
31	S	75.6	Confident	88.1	Confident	25 Å²	25	57.2 Å²	57.2	18%	0.175	32%	0.318	C	S	.	.			trans	-111.5	134.8	172.2	52.8	0	0	0	0	109.7	K29 P33 D226	K29-S31 PolarHBondContact O-N 3.13Å; S31-P33 CarbonylContact O-C 3.56Å; S31-D226 WeakPolarHBondContact CB-OD2 3.39Å; S31-D226 PolarHBondContact OG-OD2 2.93Å
32	P	79.5	Confident	88.3	Confident	65 Å²	65	57 Å²	57	42%	0.422	32%	0.317	S	S	.	.	S	Bend	trans	-58.2	139.9	-178.9	-28.7	35.8	0	0	0	113.3	C250 T251	P32-C250 HydrophobicContact CB-CB 4.31Å; P32-T251 HydrophobicContact CB-CG2 3.69Å; P32-T251 HydrophobicContact CG-CG2 3.71Å
33	P	80.4	Confident	88.4	Confident	13 Å²	13	54.8 Å²	54.8	8%	0.084	30%	0.304	C	S	.	.	S	Bend	cis	-80.5	123.1	-2.2	35.1	-37.8	0	0	0	112	S31 S106 L107	S31-P33 CarbonylContact O-C 3.56Å; P33-S106 WeakPolarHBondContact CB-O 3.42Å; P33-L107 HydrophobicContact CB-CD2 4.16Å; P33-L107 HydrophobicContact CG-CB 4.29Å; P33-L107 HydrophobicContact CG-CD2 3.49Å; P33-L107 VanDerWaalsContact CG-CD2 3.49Å; P33-L107 HydrophobicContact CG-CG 3.6Å
34	Y	88.5	Confident	88.7	Confident	52 Å²	52	56.3 Å²	56.3	20%	0.204	31%	0.311	C	S	.	.			trans	-101.2	98	-178.9	-175.4	-126.5	0	0	0	109.7	L28 K29 A30 L36 D37 T38	L28-Y34 HydrophobicContact CB-CE2 4.02Å; K29-Y34 VanDerWaalsContact O-CD2 3.28Å; K29-Y34 WeakPolarHBondContact O-CD2 3.09Å; A30-Y34 HydrophobicContact CB-CE1 4.44Å; Y34-L36 HydrophobicContact CD1-CB 4.4Å; Y34-L36 HydrophobicContact CE1-CB 3.81Å; Y34-L36 HydrophobicContact CE2-CB 4.11Å; Y34-L36 HydrophobicContact CE2-CD1 4.19Å; Y34-L36 HydrophobicContact CE2-CG 4.38Å; Y34-L36 PolarHBondContact O-N 3.23Å; Y34-L36 WeakPolarHBondContact OH-CD1 3.47Å; Y34-D37 HydrophobicContact CD1-CB 3.96Å; Y34-D37 WeakPolarHBondContact CD1-OD1 3.41Å; Y34-D37 VanDerWaalsContact CD1-OD2 3.32Å; Y34-D37 WeakPolarHBondContact CD1-OD2 3.43Å; Y34-D37 VanDerWaalsContact CE1-OD1 3.31Å; Y34-D37 WeakPolarHBondContact CE1-OD1 3.35Å; Y34-D37 PolarHBondContact O-N 3.15Å; Y34-T38 PolarHBondContact O-N 3.32Å; Y34-T38 PolarHBondContact O-OG1 3.45Å; Y34-T38 VanDerWaalsContact O-OG1 3.11Å
35	I	92.1	Very high	89.2	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-54.7	-28.9	-172.7	-165.7	166.1	0	0	0	114.1	V17 C21 L28 D37 I39 L102 Y109	V17-I35 HydrophobicContact CG1-CD1 4.1Å; C21-I35 HydrophobicContact CB-CG2 4.01Å; L28-I35 HydrophobicContact CD1-CG2 3.88Å; I35-D37 VanDerWaalsContact C-N 3.3Å; I35-I39 HydrophobicContact CD1-CD1 4.03Å; I35-I39 HydrophobicContact CG1-CD1 3.58Å; I35-I39 HydrophobicContact CG1-CG1 3.97Å; I35-I39 PolarHBondContact O-N 3.37Å; I35-I39 VanDerWaalsContact O-N 3.09Å; I35-L102 HydrophobicContact CD1-CD1 4.46Å; I35-Y109 HydrophobicContact CD1-CD2 3.88Å; I35-Y109 HydrophobicContact CD1-CE2 4.03Å; I35-Y109 HydrophobicContact CG1-CD2 4.28Å
36	L	93.6	Very high	89.5	Confident	29 Å²	29	44.1 Å²	44.1	15%	0.152	25%	0.245	C	C	.	.	H	α-helix	trans	-76.2	-15.6	-179.9	-67.6	-179.6	0	0	0	113.7	V18 C21 Q22 L28 Y34 P40	V18-L36 HydrophobicContact CG1-CD2 4.2Å; C21-L36 HydrophobicContact CB-CD2 3.55Å; C21-L36 HydrophobicContact CB-CG 4.19Å; Q22-L36 HydrophobicContact CG-CD1 4.31Å; Q22-L36 HydrophobicContact CG-CD2 3.78Å; L28-L36 HydrophobicContact CD1-CD1 4.16Å; L28-L36 HydrophobicContact CD1-CG 4.25Å; Y34-L36 HydrophobicContact CD1-CB 4.4Å; Y34-L36 HydrophobicContact CE1-CB 3.81Å; Y34-L36 HydrophobicContact CE2-CB 4.11Å; Y34-L36 HydrophobicContact CE2-CD1 4.19Å; Y34-L36 HydrophobicContact CE2-CG 4.38Å; Y34-L36 PolarHBondContact O-N 3.23Å; Y34-L36 WeakPolarHBondContact OH-CD1 3.47Å; L36-P40 VanDerWaalsContact O-CD 3.28Å; L36-P40 WeakPolarHBondContact O-CD 3.49Å; L36-P40 VanDerWaalsContact O-CG 3.24Å; L36-P40 WeakPolarHBondContact O-CG 3.33Å
37	D	94	Very high	90	Very high	93 Å²	93	48.3 Å²	48.3	50%	0.497	27%	0.265	S	S	.	.	H	α-helix	trans	-97.7	-43.2	168.1	-67.8	-1.7	0	0	0	109.9	Y34 I35 I39 P40 D41	Y34-D37 HydrophobicContact CD1-CB 3.96Å; Y34-D37 WeakPolarHBondContact CD1-OD1 3.41Å; Y34-D37 VanDerWaalsContact CD1-OD2 3.32Å; Y34-D37 WeakPolarHBondContact CD1-OD2 3.43Å; Y34-D37 VanDerWaalsContact CE1-OD1 3.31Å; Y34-D37 WeakPolarHBondContact CE1-OD1 3.35Å; Y34-D37 PolarHBondContact O-N 3.15Å; I35-D37 VanDerWaalsContact C-N 3.3Å; D37-I39 PolarHBondContact O-N 2.91Å; D37-P40 VanDerWaalsContact O-CD 3.24Å; D37-P40 WeakPolarHBondContact O-CD 3.31Å; D37-D41 VanDerWaalsContact O-CG 3.25Å; D37-D41 PolarHBondContact O-N 3.3Å
38	T	94.9	Very high	90.6	Very high	12 Å²	12	49.2 Å²	49.2	7%	0.074	26%	0.255	C	S	.	.	H	α-helix	trans	-60.6	-41.7	-176.2	-54.1	0	0	0	0	113.6	Y34 D41 I42 L113	Y34-T38 PolarHBondContact O-N 3.32Å; Y34-T38 PolarHBondContact O-OG1 3.45Å; Y34-T38 VanDerWaalsContact O-OG1 3.11Å; T38-D41 PolarHBondContact O-N 2.88Å; T38-I42 HydrophobicContact CG2-CD1 4.19Å; T38-I42 VanDerWaalsContact O-CG1 3.32Å; T38-I42 WeakPolarHBondContact O-CG1 3.3Å; T38-I42 PolarHBondContact O-N 3.37Å; T38-L113 HydrophobicContact CG2-CB 4.42Å; T38-L113 HydrophobicContact CG2-CD2 4.17Å
39	I	96.3	Very high	91.3	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.021	25%	0.245	C	C	.	.	H	α-helix	trans	-67.8	-46.9	-180	-69.7	176.6	0	0	0	111.8	L14 V17 V18 I35 D37 D41 I42 Y43 Y109	L14-I39 HydrophobicContact CB-CG2 3.81Å; L14-I39 HydrophobicContact CD2-CG2 3.95Å; L14-I39 HydrophobicContact CG-CG2 4.3Å; V17-I39 HydrophobicContact CB-CD1 3.96Å; V17-I39 HydrophobicContact CG1-CD1 3.37Å; V18-I39 HydrophobicContact CG2-CB 3.86Å; V18-I39 HydrophobicContact CG2-CD1 4.21Å; V18-I39 HydrophobicContact CG2-CG2 3.45Å; V18-I39 VanDerWaalsContact CG2-CG2 3.45Å; I35-I39 HydrophobicContact CD1-CD1 4.03Å; I35-I39 HydrophobicContact CG1-CD1 3.58Å; I35-I39 HydrophobicContact CG1-CG1 3.97Å; I35-I39 PolarHBondContact O-N 3.37Å; I35-I39 VanDerWaalsContact O-N 3.09Å; D37-I39 PolarHBondContact O-N 2.91Å; I39-D41 VanDerWaalsContact C-N 3.3Å; I39-D41 PolarHBondContact O-N 3.07Å; I39-I42 PolarHBondContact O-N 3.34Å; I39-Y43 WeakPolarHBondContact O-CB 3.44Å; I39-Y43 PolarHBondContact O-N 3.05Å; I39-Y109 HydrophobicContact CD1-CE1 4.43Å; I39-Y109 HydrophobicContact CD1-CE2 4.41Å; I39-Y109 HydrophobicContact CG1-CD1 4.24Å; I39-Y109 HydrophobicContact CG1-CE1 4.4Å; I39-Y109 HydrophobicContact CG1-CG 4.39Å
40	P	95.9	Very high	92	Very high	48 Å²	48	42.6 Å²	42.6	31%	0.312	23%	0.226	S	C	.	.	H	α-helix	trans	-52.7	-44	168.8	-31.5	37.3	0	0	0	113.8	L36 D37 I42 Y43 E44	L36-P40 VanDerWaalsContact O-CD 3.28Å; L36-P40 WeakPolarHBondContact O-CD 3.49Å; L36-P40 VanDerWaalsContact O-CG 3.24Å; L36-P40 WeakPolarHBondContact O-CG 3.33Å; D37-P40 VanDerWaalsContact O-CD 3.24Å; D37-P40 WeakPolarHBondContact O-CD 3.31Å; P40-I42 PolarHBondContact O-N 2.99Å; P40-Y43 WeakPolarHBondContact O-CA 3.48Å; P40-Y43 WeakPolarHBondContact O-CB 3.15Å; P40-Y43 PolarHBondContact O-N 2.96Å; P40-Y43 VanDerWaalsContact O-N 3.09Å; P40-E44 WeakPolarHBondContact O-CG 3.21Å; P40-E44 PolarHBondContact O-N 3.49Å
41	D	96.6	Very high	92.8	Very high	73 Å²	73	41.6 Å²	41.6	39%	0.39	22%	0.218	S	C	.	.	H	α-helix	trans	-61.4	-42.4	178	-66.1	-25	0	0	0	112.1	D37 T38 I39 Y43 E44 K45 L113	D37-D41 VanDerWaalsContact O-CG 3.25Å; D37-D41 PolarHBondContact O-N 3.3Å; T38-D41 PolarHBondContact O-N 2.88Å; I39-D41 VanDerWaalsContact C-N 3.3Å; I39-D41 PolarHBondContact O-N 3.07Å; D41-Y43 VanDerWaalsContact C-N 3.33Å; D41-Y43 PolarHBondContact O-N 3.34Å; D41-E44 PolarHBondContact O-N 3.3Å; D41-K45 VanDerWaalsContact O-CB 3.29Å; D41-K45 WeakPolarHBondContact O-CB 3.29Å; D41-K45 PolarHBondContact O-N 3.5Å; D41-L113 HydrophobicContact CB-CD1 4.31Å; D41-L113 HydrophobicContact CB-CD2 3.6Å
42	I	97.4	Very high	93.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.2	-45	172.8	-68.2	166.6	0	0	0	110.7	L14 T38 I39 P40 K45 L46 L73 Y109 L113	L14-I42 HydrophobicContact CD1-CG2 4.47Å; T38-I42 HydrophobicContact CG2-CD1 4.19Å; T38-I42 VanDerWaalsContact O-CG1 3.32Å; T38-I42 WeakPolarHBondContact O-CG1 3.3Å; T38-I42 PolarHBondContact O-N 3.37Å; I39-I42 PolarHBondContact O-N 3.34Å; P40-I42 PolarHBondContact O-N 2.99Å; I42-K45 PolarHBondContact O-N 3.3Å; I42-L46 HydrophobicContact CG2-CD1 3.95Å; I42-L46 HydrophobicContact CG2-CG 4.36Å; I42-L46 WeakPolarHBondContact O-CB 3.5Å; I42-L46 WeakPolarHBondContact O-CG 3.5Å; I42-L46 PolarHBondContact O-N 3.42Å; I42-L73 HydrophobicContact CD1-CD1 4.49Å; I42-L73 HydrophobicContact CG2-CD1 4.43Å; I42-L73 HydrophobicContact CG2-CD2 3.73Å; I42-Y109 HydrophobicContact CD1-CD1 3.93Å; I42-L113 HydrophobicContact CD1-CB 4.26Å; I42-L113 HydrophobicContact CG1-CB 3.71Å; I42-L113 HydrophobicContact CG1-CD1 3.87Å; I42-L113 HydrophobicContact CG1-CD2 4.5Å; I42-L113 HydrophobicContact CG1-CG 4.22Å
43	Y	95.7	Very high	94.4	Very high	67 Å²	67	43.2 Å²	43.2	26%	0.263	22%	0.218	S	C	.	.	H	α-helix	trans	-59.6	-51.2	-179.5	-174.9	-80.2	0	0	0	110.8	Y11 I39 P40 D41 K45 L46 Q47	Y11-Y43 AromaticContact CD1-CD2 3.28Å; Y11-Y43 HydrophobicContact CD1-CD2 3.28Å; Y11-Y43 AromaticContact CD1-CE2 3.21Å; Y11-Y43 HydrophobicContact CD1-CE2 3.21Å; Y11-Y43 HydrophobicContact CD1-CG 4.16Å; Y11-Y43 HydrophobicContact CD2-CE2 4.49Å; Y11-Y43 AromaticContact CE1-CD2 3.71Å; Y11-Y43 HydrophobicContact CE1-CD2 3.71Å; Y11-Y43 AromaticContact CE1-CE2 3.81Å; Y11-Y43 HydrophobicContact CE1-CE2 3.81Å; Y11-Y43 HydrophobicContact CE1-CG 4.14Å; Y11-Y43 HydrophobicContact CG-CD2 4.15Å; Y11-Y43 AromaticContact CG-CE2 3.63Å; Y11-Y43 HydrophobicContact CG-CE2 3.63Å; I39-Y43 WeakPolarHBondContact O-CB 3.44Å; I39-Y43 PolarHBondContact O-N 3.05Å; P40-Y43 WeakPolarHBondContact O-CA 3.48Å; P40-Y43 WeakPolarHBondContact O-CB 3.15Å; P40-Y43 PolarHBondContact O-N 2.96Å; P40-Y43 VanDerWaalsContact O-N 3.09Å; D41-Y43 VanDerWaalsContact C-N 3.33Å; D41-Y43 PolarHBondContact O-N 3.34Å; Y43-K45 PolarHBondContact O-N 3.39Å; Y43-L46 PolarHBondContact O-N 3.44Å; Y43-Q47 HydrophobicContact CD1-CG 4.12Å; Y43-Q47 HydrophobicContact CE1-CG 3.91Å; Y43-Q47 WeakPolarHBondContact O-CG 3.34Å; Y43-Q47 PolarHBondContact O-N 3.45Å; Y43-Q47 PolarHBondContact OH-NE2 3.32Å
44	E	96.3	Very high	94.9	Very high	99 Å²	99	48.8 Å²	48.8	46%	0.463	24%	0.243	S	C	.	.	H	α-helix	trans	-63	-41.5	178.6	-68.5	-173.8	179.8	0	0	112	P40 D41 Q47 R48	P40-E44 WeakPolarHBondContact O-CG 3.21Å; P40-E44 PolarHBondContact O-N 3.49Å; D41-E44 PolarHBondContact O-N 3.3Å; E44-Q47 PolarHBondContact O-N 3.09Å; E44-R48 WeakPolarHBondContact O-CG 3.36Å; E44-R48 PolarHBondContact O-N 2.95Å; E44-R48 IonicContact OE2-NH1 2.71Å
45	K	97.3	Very high	95	Very high	9 Å²	9	56 Å²	56	4%	0.039	28%	0.279	C	S	.	.	H	α-helix	trans	-61.5	-46.6	177.1	-175.6	62.8	175.6	-179.3	0	111.7	D41 I42 Y43 Q47 R48 I49 L113 L116 E117 F120 D123	D41-K45 VanDerWaalsContact O-CB 3.29Å; D41-K45 WeakPolarHBondContact O-CB 3.29Å; D41-K45 PolarHBondContact O-N 3.5Å; I42-K45 PolarHBondContact O-N 3.3Å; Y43-K45 PolarHBondContact O-N 3.39Å; K45-Q47 VanDerWaalsContact C-N 3.33Å; K45-Q47 PolarHBondContact O-N 3.39Å; K45-R48 PolarHBondContact O-N 3.33Å; K45-I49 HydrophobicContact CD-CD1 4.42Å; K45-I49 HydrophobicContact CG-CD1 4.07Å; K45-I49 WeakPolarHBondContact O-CG1 3.16Å; K45-I49 PolarHBondContact O-N 3.5Å; K45-L113 HydrophobicContact CB-CD1 4.47Å; K45-L116 HydrophobicContact CB-CD2 4.19Å; K45-L116 HydrophobicContact CG-CD2 3.58Å; K45-L116 HydrophobicContact CG-CG 4.1Å; K45-E117 HydrophobicContact CD-CG 4.4Å; K45-F120 VanDerWaalsContact CE-O 3.25Å; K45-F120 WeakPolarHBondContact CE-O 3.45Å; K45-F120 PolarHBondContact NZ-O 2.88Å; K45-D123 WeakPolarHBondContact CD-OD1 3.33Å; K45-D123 WeakPolarHBondContact CE-OD1 3.47Å; K45-D123 IonicContact NZ-OD1 3.48Å; K45-D123 PolarHBondContact NZ-OD1 3.43Å
46	L	96.5	Very high	94.9	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-62.6	-39.3	176.2	-76.4	176.8	0	0	0	112.1	Y11 I42 Y43 I49 I50 F66 Y69 I70 L73 L116	Y11-L46 HydrophobicContact CE1-CB 4.16Å; Y11-L46 HydrophobicContact CE1-CD1 4.37Å; I42-L46 HydrophobicContact CG2-CD1 3.95Å; I42-L46 HydrophobicContact CG2-CG 4.36Å; I42-L46 WeakPolarHBondContact O-CB 3.5Å; I42-L46 WeakPolarHBondContact O-CG 3.5Å; I42-L46 PolarHBondContact O-N 3.42Å; Y43-L46 PolarHBondContact O-N 3.44Å; L46-I49 PolarHBondContact O-N 3.13Å; L46-I50 WeakPolarHBondContact O-CB 3.49Å; L46-I50 VanDerWaalsContact O-CG1 3.25Å; L46-I50 WeakPolarHBondContact O-CG1 3.45Å; L46-I50 PolarHBondContact O-N 3.23Å; L46-F66 HydrophobicContact CD2-CE2 4.01Å; L46-Y69 HydrophobicContact CD1-CE1 4.4Å; L46-Y69 HydrophobicContact CD2-CD1 4.34Å; L46-Y69 HydrophobicContact CD2-CE1 3.98Å; L46-Y69 HydrophobicContact CG-CE1 4.47Å; L46-I70 HydrophobicContact CD1-CD1 4.24Å; L46-I70 HydrophobicContact CD2-CD1 3.97Å; L46-L73 HydrophobicContact CD1-CD2 3.71Å; L46-L116 HydrophobicContact CD2-CD2 3.96Å; L46-L116 HydrophobicContact CG-CD2 4.2Å
47	Q	95.4	Very high	94.8	Very high	89 Å²	89	59.8 Å²	59.8	42%	0.416	30%	0.298	S	S	.	.	H	α-helix	trans	-61.7	-45.8	175.2	-76.7	-170.5	-38.1	0	0	112	Y11 Y43 E44 K45 I50 A51	Y11-Q47 PolarHBondContact OH-N 3.29Å; Y43-Q47 HydrophobicContact CD1-CG 4.12Å; Y43-Q47 HydrophobicContact CE1-CG 3.91Å; Y43-Q47 WeakPolarHBondContact O-CG 3.34Å; Y43-Q47 PolarHBondContact O-N 3.45Å; Y43-Q47 PolarHBondContact OH-NE2 3.32Å; E44-Q47 PolarHBondContact O-N 3.09Å; K45-Q47 VanDerWaalsContact C-N 3.33Å; K45-Q47 PolarHBondContact O-N 3.39Å; Q47-I50 PolarHBondContact O-N 3.28Å; Q47-A51 VanDerWaalsContact O-CB 3.28Å; Q47-A51 WeakPolarHBondContact O-CB 3.35Å; Q47-A51 PolarHBondContact O-N 2.81Å
48	R	97	Very high	94.7	Very high	101 Å²	101	60.1 Å²	60.1	38%	0.381	30%	0.3	S	S	.	.	H	α-helix	trans	-62.4	-44.4	177.6	-69.8	-170.5	-62.8	-90.4	3.5	112.2	E44 K45 A51 N52 D123	E44-R48 WeakPolarHBondContact O-CG 3.36Å; E44-R48 PolarHBondContact O-N 2.95Å; E44-R48 IonicContact OE2-NH1 2.71Å; K45-R48 PolarHBondContact O-N 3.33Å; R48-A51 PolarHBondContact O-N 2.79Å; R48-N52 WeakPolarHBondContact O-CB 3.15Å; R48-N52 PolarHBondContact O-N 2.96Å; R48-D123 HydrophobicContact CB-CB 4.22Å; R48-D123 WeakPolarHBondContact CB-OD2 3.14Å; R48-D123 IonicContact NE-OD1 3.59Å; R48-D123 IonicContact NE-OD2 2.65Å
49	I	96.5	Very high	94.6	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-58.3	-53.7	174.8	-67.3	165.4	0	0	0	109.7	K45 L46 A51 N52 Y53 L60 F66 L116 F120 D123	K45-I49 HydrophobicContact CD-CD1 4.42Å; K45-I49 HydrophobicContact CG-CD1 4.07Å; K45-I49 WeakPolarHBondContact O-CG1 3.16Å; K45-I49 PolarHBondContact O-N 3.5Å; L46-I49 PolarHBondContact O-N 3.13Å; I49-A51 VanDerWaalsContact C-N 3.31Å; I49-A51 PolarHBondContact O-N 2.83Å; I49-N52 WeakPolarHBondContact O-CB 3.39Å; I49-N52 PolarHBondContact O-N 3.46Å; I49-N52 VanDerWaalsContact O-N 3.07Å; I49-Y53 HydrophobicContact CG2-CD2 4.15Å; I49-Y53 HydrophobicContact CG2-CE2 4.29Å; I49-Y53 VanDerWaalsContact O-CD2 3.29Å; I49-Y53 WeakPolarHBondContact O-CD2 3.29Å; I49-Y53 PolarHBondContact O-N 2.81Å; I49-Y53 VanDerWaalsContact O-N 3.15Å; I49-L60 HydrophobicContact CG2-CD1 3.91Å; I49-L60 HydrophobicContact CG2-CD2 4.09Å; I49-F66 HydrophobicContact CG2-CE2 4.45Å; I49-L116 HydrophobicContact CD1-CD1 3.78Å; I49-L116 HydrophobicContact CD1-CD2 4.04Å; I49-L116 HydrophobicContact CD1-CG 3.97Å; I49-F120 HydrophobicContact CD1-CB 3.7Å; I49-F120 HydrophobicContact CD1-CD1 3.84Å; I49-F120 HydrophobicContact CD1-CD2 4.14Å; I49-F120 HydrophobicContact CD1-CE1 4.49Å; I49-F120 HydrophobicContact CD1-CG 3.65Å; I49-F120 HydrophobicContact CG1-CB 4.1Å; I49-F120 HydrophobicContact CG1-CD1 3.87Å; I49-F120 HydrophobicContact CG1-CG 4.11Å; I49-F120 HydrophobicContact CG2-CD1 3.83Å; I49-F120 HydrophobicContact CG2-CE1 3.7Å; I49-F120 HydrophobicContact CG2-CZ 4.44Å; I49-D123 HydrophobicContact CG1-CB 4.12Å
50	I	94.6	Very high	94.5	Very high	31 Å²	31	60.9 Å²	60.9	16%	0.159	31%	0.308	C	S	.	.	H	α-helix	trans	-63.7	-37.8	-176.1	-68.1	170.9	0	0	0	112.1	V7 L46 Q47 N52 Y53 E54 Y57 L60 F66	V7-I50 HydrophobicContact CB-CD1 4.3Å; V7-I50 HydrophobicContact CG1-CD1 3.33Å; V7-I50 HydrophobicContact CG2-CD1 4.16Å; L46-I50 WeakPolarHBondContact O-CB 3.49Å; L46-I50 VanDerWaalsContact O-CG1 3.25Å; L46-I50 WeakPolarHBondContact O-CG1 3.45Å; L46-I50 PolarHBondContact O-N 3.23Å; Q47-I50 PolarHBondContact O-N 3.28Å; I50-N52 VanDerWaalsContact C-N 3.32Å; I50-Y53 CarbonylContact O-C 3.51Å; I50-Y53 PolarHBondContact O-N 3.1Å; I50-E54 PolarHBondContact O-N 3.33Å; I50-E54 VanDerWaalsContact O-N 3.14Å; I50-Y57 HydrophobicContact CG2-CD2 4.49Å; I50-Y57 HydrophobicContact CG2-CE2 4.27Å; I50-L60 HydrophobicContact CG1-CD2 4.02Å; I50-F66 HydrophobicContact CG1-CZ 4.49Å
51	A	94.7	Very high	94.4	Very high	62 Å²	62	58.6 Å²	58.6	51%	0.512	29%	0.293	S	S	.	.	H	α-helix	trans	-62.4	-40.5	174.4	0	0	0	0	0	111.6	Q47 R48 I49 Y53 E54	Q47-A51 VanDerWaalsContact O-CB 3.28Å; Q47-A51 WeakPolarHBondContact O-CB 3.35Å; Q47-A51 PolarHBondContact O-N 2.81Å; R48-A51 PolarHBondContact O-N 2.79Å; I49-A51 VanDerWaalsContact C-N 3.31Å; I49-A51 PolarHBondContact O-N 2.83Å; A51-Y53 PolarHBondContact O-N 3.15Å; A51-E54 WeakPolarHBondContact O-CB 3.39Å; A51-E54 PolarHBondContact O-N 3.02Å
52	N	94.9	Very high	94.3	Very high	88 Å²	88	61.6 Å²	61.6	47%	0.471	31%	0.305	S	S	.	.	H	α-helix	trans	-67.2	-21.8	177.4	-172.2	61.3	0	0	0	113.5	R48 I49 I50 D123 T124	R48-N52 WeakPolarHBondContact O-CB 3.15Å; R48-N52 PolarHBondContact O-N 2.96Å; I49-N52 WeakPolarHBondContact O-CB 3.39Å; I49-N52 PolarHBondContact O-N 3.46Å; I49-N52 VanDerWaalsContact O-N 3.07Å; I50-N52 VanDerWaalsContact C-N 3.32Å; N52-D123 PolarHBondContact ND2-O 3.47Å; N52-T124 WeakPolarHBondContact ND2-CG2 3.48Å
53	Y	94.8	Very high	94.2	Very high	36 Å²	36	62.8 Å²	62.8	14%	0.141	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	21.9	174.1	-70.2	-93.8	0	0	0	112.9	I49 I50 A51 E55 N56 Y57 L60 F120 F125	I49-Y53 HydrophobicContact CG2-CD2 4.15Å; I49-Y53 HydrophobicContact CG2-CE2 4.29Å; I49-Y53 VanDerWaalsContact O-CD2 3.29Å; I49-Y53 WeakPolarHBondContact O-CD2 3.29Å; I49-Y53 PolarHBondContact O-N 2.81Å; I49-Y53 VanDerWaalsContact O-N 3.15Å; I50-Y53 CarbonylContact O-C 3.51Å; I50-Y53 PolarHBondContact O-N 3.1Å; A51-Y53 PolarHBondContact O-N 3.15Å; Y53-E55 VanDerWaalsContact C-N 3.33Å; Y53-E55 PolarHBondContact O-N 3.28Å; Y53-N56 CarbonylContact O-C 3.59Å; Y53-N56 PolarHBondContact O-N 3.04Å; Y53-N56 VanDerWaalsContact O-N 3.15Å; Y53-Y57 WeakPolarHBondContact O-CA 3.46Å; Y53-Y57 PolarHBondContact O-N 3.42Å; Y53-L60 HydrophobicContact CD1-CB 3.87Å; Y53-L60 HydrophobicContact CD2-CB 4.33Å; Y53-L60 HydrophobicContact CD2-CD1 4.14Å; Y53-L60 HydrophobicContact CD2-CD2 4.23Å; Y53-L60 HydrophobicContact CD2-CG 4.47Å; Y53-L60 HydrophobicContact CE2-CD1 4.27Å; Y53-L60 HydrophobicContact CG-CB 3.78Å; Y53-L60 HydrophobicContact CG-CD1 4.44Å; Y53-L60 HydrophobicContact CG-CD2 4.23Å; Y53-L60 HydrophobicContact CG-CG 4.37Å; Y53-F120 HydrophobicContact CE2-CE1 4.17Å; Y53-F125 PolarHBondContact OH-N 2.97Å
54	E	90.1	Very high	94.2	Very high	130 Å²	130	64.9 Å²	64.9	61%	0.607	32%	0.323	S	S	*	.	S	Bend	trans	-58.5	-42.9	-173.5	-178.5	169.4	-160.3	0	0	112.9	R4 I50 A51	R4-E54 PolarHBondContact NH2-O 2.87Å; I50-E54 PolarHBondContact O-N 3.33Å; I50-E54 VanDerWaalsContact O-N 3.14Å; A51-E54 WeakPolarHBondContact O-CB 3.39Å; A51-E54 PolarHBondContact O-N 3.02Å
55	E	89.9	Confident	94.2	Very high	203 Å²	203	60.5 Å²	60.5	95%	0.949	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-21.1	179.6	-60.9	-171.9	163.8	0	0	113.4	Y53	Y53-E55 VanDerWaalsContact C-N 3.33Å; Y53-E55 PolarHBondContact O-N 3.28Å
56	N	89.9	Confident	94.2	Very high	92 Å²	92	60 Å²	60	49%	0.492	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.9	53.5	-176.2	-167.5	7	0	0	0	111.2	Y53 D58 A59	Y53-N56 CarbonylContact O-C 3.59Å; Y53-N56 PolarHBondContact O-N 3.04Å; Y53-N56 VanDerWaalsContact O-N 3.15Å; N56-D58 PolarHBondContact O-N 2.85Å; N56-A59 WeakPolarHBondContact ND2-CB 3.2Å; N56-A59 PolarHBondContact O-N 2.75Å; N56-A59 WeakPolarHBondContact OD1-CB 3.43Å; N56-A59 PolarHBondContact OD1-N 2.87Å
57	Y	92.2	Very high	94.2	Very high	19 Å²	19	62.6 Å²	62.6	8%	0.075	31%	0.312	C	S	.	.	H	α-helix	trans	-65	-28.5	-178.3	-172.5	-91.6	0	0	0	111.9	R4 V7 I50 Y53 A59 L60 S61	R4-Y57 HydrophobicContact CG-CD1 4.02Å; R4-Y57 HydrophobicContact CG-CD2 4.19Å; R4-Y57 HydrophobicContact CG-CE1 3.73Å; R4-Y57 HydrophobicContact CG-CE2 3.91Å; R4-Y57 HydrophobicContact CG-CG 4.24Å; V7-Y57 VanDerWaalsContact CG2-OH 3.25Å; V7-Y57 WeakPolarHBondContact CG2-OH 3.43Å; I50-Y57 HydrophobicContact CG2-CD2 4.49Å; I50-Y57 HydrophobicContact CG2-CE2 4.27Å; Y53-Y57 WeakPolarHBondContact O-CA 3.46Å; Y53-Y57 PolarHBondContact O-N 3.42Å; Y57-A59 VanDerWaalsContact C-N 3.32Å; Y57-A59 PolarHBondContact O-N 3.34Å; Y57-L60 HydrophobicContact CD2-CD2 4.33Å; Y57-L60 HydrophobicContact CE2-CD2 4.14Å; Y57-L60 PolarHBondContact O-N 3.32Å; Y57-L60 VanDerWaalsContact O-N 3.14Å; Y57-S61 WeakPolarHBondContact O-CB 3.42Å; Y57-S61 PolarHBondContact O-N 3.47Å
58	D	91.5	Very high	94.3	Very high	100 Å²	100	59.2 Å²	59.2	54%	0.535	30%	0.297	S	S	.	.	H	α-helix	trans	-59.2	-45.4	177.6	-65	-28.7	0	0	0	110.4	N56 L60 S61 E62	N56-D58 PolarHBondContact O-N 2.85Å; D58-L60 VanDerWaalsContact C-N 3.33Å; D58-L60 PolarHBondContact O-N 3.32Å; D58-S61 WeakPolarHBondContact CA-OG 3.27Å; D58-S61 PolarHBondContact O-N 3Å; D58-S61 VanDerWaalsContact O-N 3.07Å; D58-S61 PolarHBondContact O-OG 3.35Å; D58-E62 WeakPolarHBondContact O-CG 3.48Å; D58-E62 PolarHBondContact O-N 3.43Å
59	A	93.2	Very high	94.3	Very high	31 Å²	31	54.5 Å²	54.5	26%	0.256	28%	0.279	S	S	.	.	H	α-helix	trans	-59.6	-39.4	175	0	0	0	0	0	113	N56 Y57 I63	N56-A59 WeakPolarHBondContact ND2-CB 3.2Å; N56-A59 PolarHBondContact O-N 2.75Å; N56-A59 WeakPolarHBondContact OD1-CB 3.43Å; N56-A59 PolarHBondContact OD1-N 2.87Å; Y57-A59 VanDerWaalsContact C-N 3.32Å; Y57-A59 PolarHBondContact O-N 3.34Å; A59-I63 WeakPolarHBondContact O-CG1 3.4Å
60	L	94.7	Very high	94.3	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-66.1	-41.7	174.4	178.6	61.5	0	0	0	111.6	I49 I50 Y53 Y57 D58 E62 I63 F66 F120	I49-L60 HydrophobicContact CG2-CD1 3.91Å; I49-L60 HydrophobicContact CG2-CD2 4.09Å; I50-L60 HydrophobicContact CG1-CD2 4.02Å; Y53-L60 HydrophobicContact CD1-CB 3.87Å; Y53-L60 HydrophobicContact CD2-CB 4.33Å; Y53-L60 HydrophobicContact CD2-CD1 4.14Å; Y53-L60 HydrophobicContact CD2-CD2 4.23Å; Y53-L60 HydrophobicContact CD2-CG 4.47Å; Y53-L60 HydrophobicContact CE2-CD1 4.27Å; Y53-L60 HydrophobicContact CG-CB 3.78Å; Y53-L60 HydrophobicContact CG-CD1 4.44Å; Y53-L60 HydrophobicContact CG-CD2 4.23Å; Y53-L60 HydrophobicContact CG-CG 4.37Å; Y57-L60 HydrophobicContact CD2-CD2 4.33Å; Y57-L60 HydrophobicContact CE2-CD2 4.14Å; Y57-L60 PolarHBondContact O-N 3.32Å; Y57-L60 VanDerWaalsContact O-N 3.14Å; D58-L60 VanDerWaalsContact C-N 3.33Å; D58-L60 PolarHBondContact O-N 3.32Å; L60-E62 VanDerWaalsContact C-N 3.26Å; L60-E62 PolarHBondContact O-N 3.37Å; L60-I63 HydrophobicContact CD1-CD1 4.26Å; L60-I63 PolarHBondContact O-N 2.9Å; L60-F66 HydrophobicContact CD1-CB 4.34Å; L60-F66 HydrophobicContact CD1-CD1 3.89Å; L60-F66 HydrophobicContact CD1-CD2 3.81Å; L60-F66 HydrophobicContact CD1-CE1 4.11Å; L60-F66 HydrophobicContact CD1-CE2 4.03Å; L60-F66 HydrophobicContact CD1-CG 3.74Å; L60-F66 HydrophobicContact CD1-CZ 4.17Å; L60-F66 HydrophobicContact CD2-CD1 4.49Å; L60-F66 HydrophobicContact CD2-CE1 3.92Å; L60-F66 HydrophobicContact CD2-CE2 4.33Å; L60-F66 HydrophobicContact CD2-CZ 3.83Å; L60-F66 HydrophobicContact CG-CD1 3.78Å; L60-F66 HydrophobicContact CG-CD2 4.46Å; L60-F66 HydrophobicContact CG-CE1 3.7Å; L60-F66 HydrophobicContact CG-CE2 4.38Å; L60-F66 HydrophobicContact CG-CG 4.18Å; L60-F66 HydrophobicContact CG-CZ 4.01Å; L60-F66 WeakPolarHBondContact O-CD1 3.28Å; L60-F120 HydrophobicContact CD1-CE1 3.99Å; L60-F120 HydrophobicContact CD1-CZ 4.04Å
61	S	93.2	Very high	94.4	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-70	-23.2	-176.9	80.6	0	0	0	0	113.6	M1 I2 Y57 D58 Q67	M1-S61 WeakPolarHBondContact CG-OG 3.28Å; I2-S61 WeakPolarHBondContact O-CB 3.38Å; Y57-S61 WeakPolarHBondContact O-CB 3.42Å; Y57-S61 PolarHBondContact O-N 3.47Å; D58-S61 WeakPolarHBondContact CA-OG 3.27Å; D58-S61 PolarHBondContact O-N 3Å; D58-S61 VanDerWaalsContact O-N 3.07Å; D58-S61 PolarHBondContact O-OG 3.35Å; S61-Q67 VanDerWaalsContact O-CD 3.23Å; S61-Q67 WeakPolarHBondContact O-CG 3.44Å; S61-Q67 PolarHBondContact O-NE2 3.46Å
62	E	93.8	Very high	94.5	Very high	137 Å²	137	53.2 Å²	53.2	64%	0.64	27%	0.268	S	S	*	.	H	α-helix	trans	-81.4	-22.4	177.3	-75.6	-178.8	174	0	0	113	D58 L60 E64 Q67	D58-E62 WeakPolarHBondContact O-CG 3.48Å; D58-E62 PolarHBondContact O-N 3.43Å; L60-E62 VanDerWaalsContact C-N 3.26Å; L60-E62 PolarHBondContact O-N 3.37Å; E62-E64 PolarHBondContact O-N 3.05Å; E62-E64 VanDerWaalsContact O-N 3.1Å; E62-Q67 PolarHBondContact O-NE2 3.04Å
63	I	95.5	Very high	94.6	Very high	25 Å²	25	49 Å²	49	13%	0.128	25%	0.246	C	C	.	.			trans	-63	114.7	178.4	-64.7	164.5	0	0	0	109.8	A59 L60 Y65 F66 Q67 F120 F125	A59-I63 WeakPolarHBondContact O-CG1 3.4Å; L60-I63 HydrophobicContact CD1-CD1 4.26Å; L60-I63 PolarHBondContact O-N 2.9Å; I63-Y65 VanDerWaalsContact C-N 3.34Å; I63-Y65 PolarHBondContact O-N 2.78Å; I63-F66 HydrophobicContact CB-CB 4.05Å; I63-F66 HydrophobicContact CG2-CB 4.1Å; I63-F66 PolarHBondContact O-N 3.02Å; I63-Q67 PolarHBondContact O-N 3.23Å; I63-Q67 VanDerWaalsContact O-N 3.11Å; I63-F120 HydrophobicContact CD1-CZ 4.47Å; I63-F125 HydrophobicContact CD1-CB 3.63Å; I63-F125 HydrophobicContact CD1-CD1 3.82Å; I63-F125 HydrophobicContact CD1-CD2 4.44Å; I63-F125 HydrophobicContact CD1-CG 3.72Å; I63-F125 HydrophobicContact CG1-CD1 4.13Å; I63-F125 HydrophobicContact CG1-CE1 4.48Å; I63-F125 HydrophobicContact CG1-CG 4.42Å; I63-F125 HydrophobicContact CG2-CD1 4.14Å; I63-F125 HydrophobicContact CG2-CD2 3.99Å; I63-F125 HydrophobicContact CG2-CE1 3.95Å; I63-F125 HydrophobicContact CG2-CE2 3.8Å; I63-F125 HydrophobicContact CG2-CG 4.15Å; I63-F125 HydrophobicContact CG2-CZ 3.78Å
64	E	95.9	Very high	94.7	Very high	111 Å²	111	48.5 Å²	48.5	52%	0.519	25%	0.245	S	C	.	.	H	α-helix	trans	-53.3	-49	-178.3	180	177.3	-161.8	0	0	112.1	E62 F66 Q67 I68 V150	E62-E64 PolarHBondContact O-N 3.05Å; E62-E64 VanDerWaalsContact O-N 3.1Å; E64-F66 VanDerWaalsContact C-N 3.31Å; E64-F66 PolarHBondContact O-N 2.89Å; E64-Q67 WeakPolarHBondContact O-CB 3.4Å; E64-Q67 PolarHBondContact O-N 2.82Å; E64-Q67 VanDerWaalsContact O-N 3.14Å; E64-I68 HydrophobicContact CG-CD1 3.85Å; E64-I68 WeakPolarHBondContact O-CG1 3.31Å; E64-I68 PolarHBondContact O-N 3.2Å; E64-V150 HydrophobicContact CG-CG1 4.18Å
65	Y	97.3	Very high	95	Very high	6 Å²	6	46.1 Å²	46.1	2%	0.024	24%	0.235	C	C	.	.	H	α-helix	trans	-54.7	-45.3	176.9	172.7	-100.4	0	0	0	112.5	I63 Q67 I68 Y69 D115 L116 L119 F120 F125 V150	I63-Y65 VanDerWaalsContact C-N 3.34Å; I63-Y65 PolarHBondContact O-N 2.78Å; Y65-Q67 VanDerWaalsContact C-N 3.33Å; Y65-Q67 PolarHBondContact O-N 3.22Å; Y65-I68 PolarHBondContact O-N 3.29Å; Y65-Y69 VanDerWaalsContact O-CB 3.29Å; Y65-Y69 WeakPolarHBondContact O-CB 3.37Å; Y65-Y69 PolarHBondContact O-N 3.39Å; Y65-D115 WeakPolarHBondContact CE2-OD2 3.34Å; Y65-D115 VanDerWaalsContact OH-CG 3.24Å; Y65-D115 PolarHBondContact OH-O 3.04Å; Y65-D115 PolarHBondContact OH-OD2 3.03Å; Y65-L116 HydrophobicContact CE1-CD1 4.25Å; Y65-L116 WeakPolarHBondContact OH-CA 3.43Å; Y65-L116 PolarHBondContact OH-N 2.98Å; Y65-L119 HydrophobicContact CD1-CB 4.3Å; Y65-L119 HydrophobicContact CD1-CD1 3.84Å; Y65-L119 HydrophobicContact CD2-CD1 3.46Å; Y65-L119 VanDerWaalsContact CD2-CD1 3.46Å; Y65-L119 HydrophobicContact CE1-CB 3.99Å; Y65-L119 HydrophobicContact CE1-CD1 3.71Å; Y65-L119 HydrophobicContact CE1-CG 4.48Å; Y65-L119 HydrophobicContact CE2-CD1 3.32Å; Y65-L119 HydrophobicContact CG-CD1 3.73Å; Y65-L119 VanDerWaalsContact CZ-CD1 3.45Å; Y65-F120 AromaticContact CD1-CE2 3.85Å; Y65-F120 HydrophobicContact CD1-CE2 3.85Å; Y65-F120 HydrophobicContact CE1-CD2 4.24Å; Y65-F120 AromaticContact CE1-CE2 3.89Å; Y65-F120 HydrophobicContact CE1-CE2 3.89Å; Y65-F125 HydrophobicContact CD1-CE2 4.35Å; Y65-V150 HydrophobicContact CD2-CB 4.39Å
66	F	96.9	Very high	95.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-66.2	-37.1	-179.3	-173.2	-104.8	0	0	0	111.7	L46 I49 I50 L60 I63 E64 Y69 I70 F120	L46-F66 HydrophobicContact CD2-CE2 4.01Å; I49-F66 HydrophobicContact CG2-CE2 4.45Å; I50-F66 HydrophobicContact CG1-CZ 4.49Å; L60-F66 HydrophobicContact CD1-CB 4.34Å; L60-F66 HydrophobicContact CD1-CD1 3.89Å; L60-F66 HydrophobicContact CD1-CD2 3.81Å; L60-F66 HydrophobicContact CD1-CE1 4.11Å; L60-F66 HydrophobicContact CD1-CE2 4.03Å; L60-F66 HydrophobicContact CD1-CG 3.74Å; L60-F66 HydrophobicContact CD1-CZ 4.17Å; L60-F66 HydrophobicContact CD2-CD1 4.49Å; L60-F66 HydrophobicContact CD2-CE1 3.92Å; L60-F66 HydrophobicContact CD2-CE2 4.33Å; L60-F66 HydrophobicContact CD2-CZ 3.83Å; L60-F66 HydrophobicContact CG-CD1 3.78Å; L60-F66 HydrophobicContact CG-CD2 4.46Å; L60-F66 HydrophobicContact CG-CE1 3.7Å; L60-F66 HydrophobicContact CG-CE2 4.38Å; L60-F66 HydrophobicContact CG-CG 4.18Å; L60-F66 HydrophobicContact CG-CZ 4.01Å; L60-F66 WeakPolarHBondContact O-CD1 3.28Å; I63-F66 HydrophobicContact CB-CB 4.05Å; I63-F66 HydrophobicContact CG2-CB 4.1Å; I63-F66 PolarHBondContact O-N 3.02Å; E64-F66 VanDerWaalsContact C-N 3.31Å; E64-F66 PolarHBondContact O-N 2.89Å; F66-Y69 PolarHBondContact O-N 2.86Å; F66-I70 HydrophobicContact CD1-CG1 4.29Å; F66-I70 HydrophobicContact CD2-CG1 4.49Å; F66-I70 HydrophobicContact CE1-CD1 4.48Å; F66-I70 HydrophobicContact CE1-CG1 3.88Å; F66-I70 HydrophobicContact CE2-CD1 4.13Å; F66-I70 HydrophobicContact CE2-CG1 4.1Å; F66-I70 HydrophobicContact CZ-CD1 3.9Å; F66-I70 HydrophobicContact CZ-CG1 3.77Å; F66-I70 WeakPolarHBondContact O-CG1 3.33Å; F66-I70 PolarHBondContact O-N 3.31Å; F66-F120 HydrophobicContact CD2-CE2 4.48Å; F66-F120 HydrophobicContact CD2-CZ 4.2Å
67	Q	96.4	Very high	95.6	Very high	53 Å²	53	32.5 Å²	32.5	25%	0.248	17%	0.168	C	C	.	.	H	α-helix	trans	-63.6	-45.1	175.5	-62.7	-175.6	51	0	0	112.1	I2 S61 E62 I63 E64 Y65 S71	I2-Q67 HydrophobicContact CG1-CB 4.05Å; I2-Q67 HydrophobicContact CG1-CG 4.08Å; S61-Q67 VanDerWaalsContact O-CD 3.23Å; S61-Q67 WeakPolarHBondContact O-CG 3.44Å; S61-Q67 PolarHBondContact O-NE2 3.46Å; E62-Q67 PolarHBondContact O-NE2 3.04Å; I63-Q67 PolarHBondContact O-N 3.23Å; I63-Q67 VanDerWaalsContact O-N 3.11Å; E64-Q67 WeakPolarHBondContact O-CB 3.4Å; E64-Q67 PolarHBondContact O-N 2.82Å; E64-Q67 VanDerWaalsContact O-N 3.14Å; Y65-Q67 VanDerWaalsContact C-N 3.33Å; Y65-Q67 PolarHBondContact O-N 3.22Å; Q67-S71 WeakPolarHBondContact O-CB 3.01Å; Q67-S71 PolarHBondContact O-N 3.37Å; Q67-S71 PolarHBondContact O-OG 2.98Å
68	I	96.8	Very high	95.8	Very high	18 Å²	18	36.5 Å²	36.5	9%	0.092	19%	0.186	C	C	.	.	H	α-helix	trans	-63.9	-44.8	176.6	-66.1	163.6	0	0	0	110	E64 Y65 S71 T72 V150 Y186	E64-I68 HydrophobicContact CG-CD1 3.85Å; E64-I68 WeakPolarHBondContact O-CG1 3.31Å; E64-I68 PolarHBondContact O-N 3.2Å; Y65-I68 PolarHBondContact O-N 3.29Å; I68-S71 PolarHBondContact O-N 3.46Å; I68-T72 WeakPolarHBondContact O-CB 3.38Å; I68-T72 PolarHBondContact O-N 2.85Å; I68-T72 PolarHBondContact O-OG1 3.02Å; I68-V150 HydrophobicContact CD1-CG1 3.98Å; I68-V150 HydrophobicContact CD1-CG2 4Å; I68-Y186 HydrophobicContact CD1-CD1 3.62Å; I68-Y186 HydrophobicContact CD1-CD2 4.31Å; I68-Y186 HydrophobicContact CD1-CE1 3.52Å; I68-Y186 HydrophobicContact CD1-CE2 4.26Å; I68-Y186 HydrophobicContact CD1-CG 4.04Å; I68-Y186 HydrophobicContact CG1-CE1 4.29Å; I68-Y186 HydrophobicContact CG1-CE2 4.24Å; I68-Y186 HydrophobicContact CG2-CD2 3.78Å; I68-Y186 HydrophobicContact CG2-CE2 4.15Å; I68-Y186 HydrophobicContact CG2-CG 4.17Å
69	Y	97.4	Very high	96	Very high	3 Å²	3	35.5 Å²	35.5	1%	0.012	18%	0.178	C	C	.	.	H	α-helix	trans	-58.6	-52.1	-179.5	-175.3	-91.3	0	0	0	112.3	L46 Y65 F66 S71 T72 L73 L112 L116	L46-Y69 HydrophobicContact CD1-CE1 4.4Å; L46-Y69 HydrophobicContact CD2-CD1 4.34Å; L46-Y69 HydrophobicContact CD2-CE1 3.98Å; L46-Y69 HydrophobicContact CG-CE1 4.47Å; Y65-Y69 VanDerWaalsContact O-CB 3.29Å; Y65-Y69 WeakPolarHBondContact O-CB 3.37Å; Y65-Y69 PolarHBondContact O-N 3.39Å; F66-Y69 PolarHBondContact O-N 2.86Å; Y69-S71 VanDerWaalsContact C-N 3.34Å; Y69-S71 PolarHBondContact O-N 2.62Å; Y69-T72 PolarHBondContact O-N 2.71Å; Y69-L73 HydrophobicContact CE1-CD2 3.94Å; Y69-L73 WeakPolarHBondContact O-CB 3.13Å; Y69-L73 PolarHBondContact O-N 3.26Å; Y69-L112 HydrophobicContact CD2-CD2 4.16Å; Y69-L112 HydrophobicContact CE2-CB 3.93Å; Y69-L112 HydrophobicContact CE2-CD2 3.88Å; Y69-L112 VanDerWaalsContact CE2-O 3.32Å; Y69-L112 WeakPolarHBondContact CE2-O 3.44Å; Y69-L116 HydrophobicContact CD1-CD1 4.22Å; Y69-L116 HydrophobicContact CD2-CB 4.42Å; Y69-L116 HydrophobicContact CD2-CD1 4.43Å; Y69-L116 HydrophobicContact CE1-CD1 4.13Å; Y69-L116 HydrophobicContact CE1-CD2 3.85Å; Y69-L116 HydrophobicContact CE1-CG 4.4Å; Y69-L116 HydrophobicContact CE2-CB 3.73Å; Y69-L116 HydrophobicContact CE2-CD1 4.36Å; Y69-L116 HydrophobicContact CE2-CG 4.42Å; Y69-L116 HydrophobicContact CG-CD1 4.38Å
70	I	97.1	Very high	96.2	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-63.7	-40.6	-179.8	-65.1	-64.8	0	0	0	111.3	I2 L46 F66 L73 I74	I2-I70 HydrophobicContact CD1-CG2 4.27Å; I2-I70 HydrophobicContact CG1-CB 4.35Å; I2-I70 HydrophobicContact CG1-CG2 4.47Å; I2-I70 HydrophobicContact CG2-CB 4.29Å; I2-I70 HydrophobicContact CG2-CG1 4.38Å; I2-I70 HydrophobicContact CG2-CG2 3.91Å; L46-I70 HydrophobicContact CD1-CD1 4.24Å; L46-I70 HydrophobicContact CD2-CD1 3.97Å; F66-I70 HydrophobicContact CD1-CG1 4.29Å; F66-I70 HydrophobicContact CD2-CG1 4.49Å; F66-I70 HydrophobicContact CE1-CD1 4.48Å; F66-I70 HydrophobicContact CE1-CG1 3.88Å; F66-I70 HydrophobicContact CE2-CD1 4.13Å; F66-I70 HydrophobicContact CE2-CG1 4.1Å; F66-I70 HydrophobicContact CZ-CD1 3.9Å; F66-I70 HydrophobicContact CZ-CG1 3.77Å; F66-I70 WeakPolarHBondContact O-CG1 3.33Å; F66-I70 PolarHBondContact O-N 3.31Å; I70-L73 PolarHBondContact O-N 3.11Å; I70-I74 HydrophobicContact CG2-CD1 4Å; I70-I74 WeakPolarHBondContact O-CG1 3.23Å; I70-I74 PolarHBondContact O-N 3.49Å
71	S	96.2	Very high	96.2	Very high	60 Å²	60	35 Å²	35	42%	0.42	17%	0.171	S	C	.	.	H	α-helix	trans	-62.7	-46	177.4	-57.6	0	0	0	0	111.4	Q67 I68 Y69 L73 I74 E75	Q67-S71 WeakPolarHBondContact O-CB 3.01Å; Q67-S71 PolarHBondContact O-N 3.37Å; Q67-S71 PolarHBondContact O-OG 2.98Å; I68-S71 PolarHBondContact O-N 3.46Å; Y69-S71 VanDerWaalsContact C-N 3.34Å; Y69-S71 PolarHBondContact O-N 2.62Å; S71-L73 PolarHBondContact O-N 2.7Å; S71-I74 PolarHBondContact O-N 2.77Å; S71-E75 PolarHBondContact O-N 3.32Å
72	T	96.9	Very high	96.4	Very high	5 Å²	5	37.2 Å²	37.2	3%	0.031	19%	0.186	C	C	.	.	H	α-helix	trans	-59	-47	175.8	-56.3	0	0	0	0	110.7	I68 Y69 I74 E75 K76 L112 N184	I68-T72 WeakPolarHBondContact O-CB 3.38Å; I68-T72 PolarHBondContact O-N 2.85Å; I68-T72 PolarHBondContact O-OG1 3.02Å; Y69-T72 PolarHBondContact O-N 2.71Å; T72-I74 VanDerWaalsContact C-N 3.33Å; T72-I74 PolarHBondContact O-N 3.18Å; T72-E75 WeakPolarHBondContact O-CB 3.32Å; T72-E75 PolarHBondContact O-N 3.17Å; T72-E75 VanDerWaalsContact O-N 3.13Å; T72-K76 HydrophobicContact CG2-CG 4.15Å; T72-K76 WeakPolarHBondContact O-CG 3.48Å; T72-K76 PolarHBondContact O-N 3.46Å; T72-L112 HydrophobicContact CG2-CD1 4.38Å; T72-L112 HydrophobicContact CG2-CD2 3.88Å; T72-N184 HydrophobicContact CG2-CB 3.79Å; T72-N184 VanDerWaalsContact OG1-CB 3.32Å; T72-N184 WeakPolarHBondContact OG1-CB 3.46Å; T72-N184 PolarHBondContact OG1-ND2 3.4Å
73	L	97.1	Very high	96.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-63.8	-38.7	-177.8	-168.7	59.4	0	0	0	112.3	C10 L14 I42 L46 Y69 I70 S71 S77 Y109 L112	C10-L73 WeakPolarHBondContact SG-CD2 3.34Å; C10-L73 VanDerWaalsContact SG-CG 3.59Å; L14-L73 HydrophobicContact CD1-CD2 4.16Å; L14-L73 HydrophobicContact CD2-CD1 4Å; L14-L73 HydrophobicContact CD2-CG 4.17Å; I42-L73 HydrophobicContact CD1-CD1 4.49Å; I42-L73 HydrophobicContact CG2-CD1 4.43Å; I42-L73 HydrophobicContact CG2-CD2 3.73Å; L46-L73 HydrophobicContact CD1-CD2 3.71Å; Y69-L73 HydrophobicContact CE1-CD2 3.94Å; Y69-L73 WeakPolarHBondContact O-CB 3.13Å; Y69-L73 PolarHBondContact O-N 3.26Å; I70-L73 PolarHBondContact O-N 3.11Å; S71-L73 PolarHBondContact O-N 2.7Å; L73-S77 VanDerWaalsContact O-CB 3.27Å; L73-S77 WeakPolarHBondContact O-CB 3.45Å; L73-S77 PolarHBondContact O-N 3.29Å; L73-S77 PolarHBondContact O-OG 2.83Å; L73-Y109 HydrophobicContact CD1-CD1 3.96Å; L73-Y109 HydrophobicContact CD1-CE1 3.69Å; L73-L112 HydrophobicContact CD1-CD1 4.12Å
74	I	96.6	Very high	96.4	Very high	25 Å²	25	31 Å²	31	13%	0.128	16%	0.157	C	C	.	.	H	α-helix	trans	-63.7	-46.1	172.9	-70	168.2	0	0	0	110.6	C10 Y13 I70 S71 T72 S77 K78	C10-I74 HydrophobicContact CB-CD1 4.22Å; C10-I74 HydrophobicContact CB-CG1 3.77Å; Y13-I74 HydrophobicContact CD2-CG2 4.15Å; Y13-I74 HydrophobicContact CE2-CG2 4.08Å; I70-I74 HydrophobicContact CG2-CD1 4Å; I70-I74 WeakPolarHBondContact O-CG1 3.23Å; I70-I74 PolarHBondContact O-N 3.49Å; S71-I74 PolarHBondContact O-N 2.77Å; T72-I74 VanDerWaalsContact C-N 3.33Å; T72-I74 PolarHBondContact O-N 3.18Å; I74-S77 PolarHBondContact O-N 2.97Å; I74-K78 HydrophobicContact CG2-CD 4.18Å; I74-K78 WeakPolarHBondContact O-CG 3.41Å; I74-K78 PolarHBondContact O-N 3.3Å
75	E	96.3	Very high	96.3	Very high	81 Å²	81	33.5 Å²	33.5	38%	0.379	17%	0.165	S	C	.	.	H	α-helix	trans	-61.4	-51.6	179.9	-170.6	-160	123.4	0	0	111.9	S71 T72 S77 K78 Q79	S71-E75 PolarHBondContact O-N 3.32Å; T72-E75 WeakPolarHBondContact O-CB 3.32Å; T72-E75 PolarHBondContact O-N 3.17Å; T72-E75 VanDerWaalsContact O-N 3.13Å; E75-S77 PolarHBondContact O-N 3Å; E75-K78 WeakPolarHBondContact O-CB 3.24Å; E75-K78 PolarHBondContact O-N 3.3Å; E75-K78 VanDerWaalsContact O-N 3.11Å; E75-Q79 WeakPolarHBondContact O-CG 3.46Å; E75-Q79 PolarHBondContact O-N 2.98Å; E75-Q79 PolarHBondContact OE1-NE2 3.46Å
76	K	96.3	Very high	96.1	Very high	8 Å²	8	37.2 Å²	37.2	4%	0.035	19%	0.186	C	C	.	.	H	α-helix	trans	-63.3	-32.5	178.9	-59.1	-43.1	173.4	-154	0	112.1	T72 Q79 T80 V108 L112 T182 C183	T72-K76 HydrophobicContact CG2-CG 4.15Å; T72-K76 WeakPolarHBondContact O-CG 3.48Å; T72-K76 PolarHBondContact O-N 3.46Å; K76-Q79 VanDerWaalsContact CD-OE1 3.3Å; K76-Q79 PolarHBondContact O-N 3.41Å; K76-T80 WeakPolarHBondContact O-CB 3.5Å; K76-T80 PolarHBondContact O-N 3.4Å; K76-T80 PolarHBondContact O-OG1 2.98Å; K76-V108 HydrophobicContact CG-CG1 4.15Å; K76-L112 HydrophobicContact CG-CD1 4.44Å; K76-T182 WeakPolarHBondContact CE-O 3.43Å; K76-C183 VanDerWaalsContact CE-O 3.24Å; K76-C183 WeakPolarHBondContact CE-O 3.49Å; K76-C183 PolarHBondContact NZ-O 3.34Å
77	S	97.1	Very high	95.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-69.1	-41	173.4	-55.1	0	0	0	0	112.7	L73 I74 E75 T80 I81 Y109	L73-S77 VanDerWaalsContact O-CB 3.27Å; L73-S77 WeakPolarHBondContact O-CB 3.45Å; L73-S77 PolarHBondContact O-N 3.29Å; L73-S77 PolarHBondContact O-OG 2.83Å; I74-S77 PolarHBondContact O-N 2.97Å; E75-S77 PolarHBondContact O-N 3Å; S77-T80 PolarHBondContact O-N 3.38Å; S77-I81 VanDerWaalsContact O-CD1 3.31Å; S77-I81 WeakPolarHBondContact O-CD1 3.4Å; S77-I81 VanDerWaalsContact O-CG1 3.25Å; S77-I81 WeakPolarHBondContact O-CG1 3.44Å; S77-I81 PolarHBondContact O-N 2.87Å; S77-Y109 WeakPolarHBondContact CA-OH 3.37Å; S77-Y109 WeakPolarHBondContact CB-OH 3.38Å; S77-Y109 PolarHBondContact N-OH 3.44Å; S77-Y109 PolarHBondContact OG-OH 3.42Å
78	K	96.5	Very high	95.5	Very high	104 Å²	104	43.2 Å²	43.2	45%	0.452	21%	0.214	S	C	.	.	H	α-helix	trans	-62.1	-44.2	171.8	-73.5	172.8	178	176.5	0	111.7	Y13 I74 E75 T80 I81 S82	Y13-K78 HydrophobicContact CD1-CG 4.3Å; Y13-K78 HydrophobicContact CE1-CG 3.83Å; Y13-K78 HydrophobicContact CE2-CG 4.35Å; Y13-K78 WeakPolarHBondContact OH-CE 3.45Å; I74-K78 HydrophobicContact CG2-CD 4.18Å; I74-K78 WeakPolarHBondContact O-CG 3.41Å; I74-K78 PolarHBondContact O-N 3.3Å; E75-K78 WeakPolarHBondContact O-CB 3.24Å; E75-K78 PolarHBondContact O-N 3.3Å; E75-K78 VanDerWaalsContact O-N 3.11Å; K78-T80 PolarHBondContact O-N 3.48Å; K78-I81 PolarHBondContact O-N 3.18Å; K78-S82 WeakPolarHBondContact O-CB 3.39Å; K78-S82 PolarHBondContact O-N 2.79Å
79	Q	95.6	Very high	95.2	Very high	79 Å²	79	48.4 Å²	48.4	37%	0.369	24%	0.238	S	C	.	.	H	α-helix	trans	-59.3	-46.4	176	-73.5	172.9	7	0	0	111.3	E75 K76 I81 S82 L83	E75-Q79 WeakPolarHBondContact O-CG 3.46Å; E75-Q79 PolarHBondContact O-N 2.98Å; E75-Q79 PolarHBondContact OE1-NE2 3.46Å; K76-Q79 VanDerWaalsContact CD-OE1 3.3Å; K76-Q79 PolarHBondContact O-N 3.41Å; Q79-I81 PolarHBondContact O-N 2.95Å; Q79-S82 PolarHBondContact O-N 2.77Å; Q79-L83 WeakPolarHBondContact O-CB 3.5Å; Q79-L83 PolarHBondContact O-N 3Å
80	T	95.9	Very high	94.9	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-60.5	-46.8	177	-54.6	0	0	0	0	111.2	V17 K76 S77 K78 S82 L83 F84 L102 L105 Y109	V17-T80 HydrophobicContact CB-CG2 4.49Å; V17-T80 HydrophobicContact CG1-CG2 3.63Å; V17-T80 HydrophobicContact CG2-CG2 4.07Å; K76-T80 WeakPolarHBondContact O-CB 3.5Å; K76-T80 PolarHBondContact O-N 3.4Å; K76-T80 PolarHBondContact O-OG1 2.98Å; S77-T80 PolarHBondContact O-N 3.38Å; K78-T80 PolarHBondContact O-N 3.48Å; T80-S82 VanDerWaalsContact C-N 3.34Å; T80-S82 PolarHBondContact O-N 2.95Å; T80-L83 WeakPolarHBondContact O-CB 3.27Å; T80-L83 PolarHBondContact O-N 3.35Å; T80-F84 HydrophobicContact CG2-CD2 4.32Å; T80-F84 HydrophobicContact CG2-CE2 4.11Å; T80-F84 WeakPolarHBondContact O-CD2 3.34Å; T80-F84 PolarHBondContact O-N 2.93Å; T80-L102 HydrophobicContact CG2-CD1 4.08Å; T80-L105 HydrophobicContact CG2-CD1 4.46Å; T80-Y109 PolarHBondContact OG1-OH 3.39Å
81	I	96.6	Very high	94.6	Very high	21 Å²	21	55.4 Å²	55.4	11%	0.108	27%	0.268	C	S	.	.	H	α-helix	trans	-62.5	-41.6	177.4	-68.9	158.7	0	0	0	111.7	Y13 K16 V17 L20 S77 K78 Q79 L83 F84 K85	Y13-I81 HydrophobicContact CD1-CD1 3.52Å; Y13-I81 HydrophobicContact CE1-CD1 4.24Å; Y13-I81 HydrophobicContact CG-CD1 4.48Å; K16-I81 HydrophobicContact CB-CD1 4.05Å; K16-I81 HydrophobicContact CD-CD1 3.83Å; K16-I81 HydrophobicContact CD-CG1 4.23Å; K16-I81 HydrophobicContact CD-CG2 4.3Å; K16-I81 HydrophobicContact CG-CD1 3.97Å; K16-I81 HydrophobicContact CG-CG1 4.1Å; V17-I81 HydrophobicContact CG2-CD1 4.18Å; V17-I81 HydrophobicContact CG2-CG1 3.88Å; L20-I81 HydrophobicContact CD1-CB 4.4Å; L20-I81 HydrophobicContact CD1-CG1 3.99Å; L20-I81 HydrophobicContact CD1-CG2 4.45Å; S77-I81 VanDerWaalsContact O-CD1 3.31Å; S77-I81 WeakPolarHBondContact O-CD1 3.4Å; S77-I81 VanDerWaalsContact O-CG1 3.25Å; S77-I81 WeakPolarHBondContact O-CG1 3.44Å; S77-I81 PolarHBondContact O-N 2.87Å; K78-I81 PolarHBondContact O-N 3.18Å; Q79-I81 PolarHBondContact O-N 2.95Å; I81-L83 VanDerWaalsContact C-N 3.32Å; I81-F84 PolarHBondContact O-N 2.96Å; I81-K85 PolarHBondContact O-N 2.79Å; I81-K85 VanDerWaalsContact O-N 3.07Å
82	S	96	Very high	94.4	Very high	45 Å²	45	54.8 Å²	54.8	32%	0.315	26%	0.258	S	S	.	.	H	α-helix	trans	-62.2	-41.4	176.8	-165.1	0	0	0	0	111.2	K78 Q79 T80 F84 K85 N86	K78-S82 WeakPolarHBondContact O-CB 3.39Å; K78-S82 PolarHBondContact O-N 2.79Å; Q79-S82 PolarHBondContact O-N 2.77Å; T80-S82 VanDerWaalsContact C-N 3.34Å; T80-S82 PolarHBondContact O-N 2.95Å; S82-F84 VanDerWaalsContact C-N 3.34Å; S82-F84 PolarHBondContact O-N 3.12Å; S82-K85 WeakPolarHBondContact O-CB 3.43Å; S82-K85 PolarHBondContact O-N 3.31Å; S82-K85 VanDerWaalsContact O-N 3.07Å; S82-N86 WeakPolarHBondContact O-CB 3.43Å; S82-N86 VanDerWaalsContact O-CG 3.3Å; S82-N86 PolarHBondContact O-N 2.97Å; S82-N86 PolarHBondContact OG-ND2 2.7Å
83	L	95	Very high	94	Very high	17 Å²	17	58.5 Å²	58.5	9%	0.089	28%	0.278	C	S	.	.	H	α-helix	trans	-57.1	-45.4	177.1	-179.6	66.4	0	0	0	111.9	Q79 T80 I81 S87 I91 A98 R101 L102 L105	Q79-L83 WeakPolarHBondContact O-CB 3.5Å; Q79-L83 PolarHBondContact O-N 3Å; T80-L83 WeakPolarHBondContact O-CB 3.27Å; T80-L83 PolarHBondContact O-N 3.35Å; I81-L83 VanDerWaalsContact C-N 3.32Å; L83-S87 WeakPolarHBondContact O-CB 3.35Å; L83-S87 PolarHBondContact O-N 2.77Å; L83-S87 PolarHBondContact O-OG 3.3Å; L83-I91 HydrophobicContact CD2-CD1 4.05Å; L83-I91 HydrophobicContact CG-CD1 3.89Å; L83-A98 HydrophobicContact CD1-CB 4.38Å; L83-R101 HydrophobicContact CD1-CB 4.04Å; L83-R101 HydrophobicContact CD2-CB 3.87Å; L83-L102 HydrophobicContact CD2-CB 3.97Å; L83-L105 HydrophobicContact CD2-CD1 3.83Å
84	F	94.5	Very high	93.4	Very high	16 Å²	16	63.2 Å²	63.2	7%	0.07	30%	0.302	C	S	.	.	H	α-helix	trans	-63.8	-42.9	174.3	-83.5	-89.6	0	0	0	112.1	L20 L26 T80 I81 S82 K88 I91 L102	L20-F84 HydrophobicContact CB-CD1 3.97Å; L20-F84 HydrophobicContact CB-CD2 3.92Å; L20-F84 HydrophobicContact CB-CE1 3.95Å; L20-F84 HydrophobicContact CB-CE2 3.92Å; L20-F84 HydrophobicContact CB-CG 3.96Å; L20-F84 HydrophobicContact CB-CZ 3.94Å; L20-F84 HydrophobicContact CD1-CB 3.99Å; L20-F84 HydrophobicContact CD1-CD2 3.97Å; L20-F84 HydrophobicContact CD1-CG 4Å; L20-F84 HydrophobicContact CD2-CB 4.21Å; L20-F84 HydrophobicContact CD2-CD1 4.27Å; L20-F84 HydrophobicContact CD2-CG 4.23Å; L20-F84 HydrophobicContact CG-CD2 4.47Å; L20-F84 HydrophobicContact CG-CG 4.29Å; L20-F84 WeakPolarHBondContact O-CE1 3.5Å; L26-F84 HydrophobicContact CD1-CE1 4.41Å; L26-F84 HydrophobicContact CD2-CE1 4.17Å; L26-F84 HydrophobicContact CD2-CZ 3.95Å; T80-F84 HydrophobicContact CG2-CD2 4.32Å; T80-F84 HydrophobicContact CG2-CE2 4.11Å; T80-F84 WeakPolarHBondContact O-CD2 3.34Å; T80-F84 PolarHBondContact O-N 2.93Å; I81-F84 PolarHBondContact O-N 2.96Å; S82-F84 VanDerWaalsContact C-N 3.34Å; S82-F84 PolarHBondContact O-N 3.12Å; F84-K88 PolarHBondContact O-N 2.93Å; F84-I91 HydrophobicContact CD1-CG1 3.95Å; F84-I91 HydrophobicContact CD1-CG2 4.14Å; F84-I91 HydrophobicContact CE1-CG1 3.87Å; F84-I91 HydrophobicContact CE1-CG2 4.32Å; F84-I91 HydrophobicContact CG-CG1 4.44Å; F84-I91 HydrophobicContact CZ-CG1 4.29Å; F84-L102 HydrophobicContact CE2-CD1 3.81Å; F84-L102 HydrophobicContact CE2-CD2 4.29Å; F84-L102 HydrophobicContact CZ-CD1 4.24Å; F84-L102 HydrophobicContact CZ-CD2 3.91Å
85	K	93.5	Very high	92.7	Very high	162 Å²	162	68.8 Å²	68.8	70%	0.704	33%	0.332	S	S	*	.	H	α-helix	trans	-64.3	-44.8	-179.3	-172.9	-174.6	176	-168.5	0	112	I81 S82	I81-K85 PolarHBondContact O-N 2.79Å; I81-K85 VanDerWaalsContact O-N 3.07Å; S82-K85 WeakPolarHBondContact O-CB 3.43Å; S82-K85 PolarHBondContact O-N 3.31Å; S82-K85 VanDerWaalsContact O-N 3.07Å
86	N	93.6	Very high	92.4	Very high	85 Å²	85	65.6 Å²	65.6	46%	0.455	32%	0.319	S	S	.	.	H	α-helix	trans	-80.2	-38.2	-172.9	-65.6	-1.2	0	0	0	111.5	S82	S82-N86 WeakPolarHBondContact O-CB 3.43Å; S82-N86 VanDerWaalsContact O-CG 3.3Å; S82-N86 PolarHBondContact O-N 2.97Å; S82-N86 PolarHBondContact OG-ND2 2.7Å
87	S	90.9	Very high	92	Very high	21 Å²	21	71.1 Å²	71.1	15%	0.147	35%	0.348	C	S	.	.	H	α-helix	trans	-79.4	-22.6	-175.4	-54.1	0	0	0	0	113.9	L83 E89 K90 A98	L83-S87 WeakPolarHBondContact O-CB 3.35Å; L83-S87 PolarHBondContact O-N 2.77Å; L83-S87 PolarHBondContact O-OG 3.3Å; S87-E89 PolarHBondContact O-N 2.87Å; S87-K90 VanDerWaalsContact O-CB 3.32Å; S87-K90 WeakPolarHBondContact O-CB 3.46Å; S87-K90 PolarHBondContact O-N 3.11Å; S87-A98 VanDerWaalsContact CB-CB 3.49Å; S87-A98 VanDerWaalsContact OG-CB 3.23Å; S87-A98 WeakPolarHBondContact OG-CB 3.46Å
88	K	89.7	Confident	91.6	Very high	157 Å²	157	71.5 Å²	71.5	68%	0.683	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	46.9	-119.6	-177.5	-58.9	179.7	-177.8	175.3	0	110.9	F84 K90 I91	F84-K88 PolarHBondContact O-N 2.93Å; K88-K90 VanDerWaalsContact C-N 3.28Å; K88-K90 PolarHBondContact O-N 3.01Å; K88-I91 WeakPolarHBondContact O-CG2 3.31Å; K88-I91 PolarHBondContact O-N 3.49Å
89	E	91	Very high	91.3	Very high	128 Å²	128	67.1 Å²	67.1	60%	0.598	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-66.5	-24.7	-178.2	-65.1	-62.8	143.9	0	0	113.8	S87 I91 F92	S87-E89 PolarHBondContact O-N 2.87Å; E89-I91 PolarHBondContact O-N 2.87Å; E89-F92 PolarHBondContact O-N 3.42Å; E89-F92 VanDerWaalsContact O-N 3.11Å
90	K	91.2	Very high	90.7	Very high	149 Å²	149	67.7 Å²	67.7	65%	0.648	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-60.3	-32.2	-179.3	-64.1	-177.6	178.3	-178.8	0	111.6	S87 K88 F92 D93 S96 A98	S87-K90 VanDerWaalsContact O-CB 3.32Å; S87-K90 WeakPolarHBondContact O-CB 3.46Å; S87-K90 PolarHBondContact O-N 3.11Å; K88-K90 VanDerWaalsContact C-N 3.28Å; K88-K90 PolarHBondContact O-N 3.01Å; K90-F92 PolarHBondContact O-N 3.21Å; K90-F92 VanDerWaalsContact O-N 3.1Å; K90-D93 PolarHBondContact O-N 3.46Å; K90-S96 VanDerWaalsContact O-CB 3.3Å; K90-S96 WeakPolarHBondContact O-CB 3.38Å; K90-S96 PolarHBondContact O-OG 3.06Å; K90-A98 HydrophobicContact CB-CB 4.25Å
91	I	90.4	Very high	90.4	Very high	1 Å²	1	72.8 Å²	72.8	1%	0.005	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-59.8	-25	-179.8	-156.9	70.2	0	0	0	112.9	L26 L83 F84 K88 E89 A98 L102	L26-I91 HydrophobicContact CD1-CG1 4.25Å; L26-I91 HydrophobicContact CD1-CG2 4.45Å; L26-I91 WeakPolarHBondContact CD1-O 3.38Å; L83-I91 HydrophobicContact CD2-CD1 4.05Å; L83-I91 HydrophobicContact CG-CD1 3.89Å; F84-I91 HydrophobicContact CD1-CG1 3.95Å; F84-I91 HydrophobicContact CD1-CG2 4.14Å; F84-I91 HydrophobicContact CE1-CG1 3.87Å; F84-I91 HydrophobicContact CE1-CG2 4.32Å; F84-I91 HydrophobicContact CG-CG1 4.44Å; F84-I91 HydrophobicContact CZ-CG1 4.29Å; K88-I91 WeakPolarHBondContact O-CG2 3.31Å; K88-I91 PolarHBondContact O-N 3.49Å; E89-I91 PolarHBondContact O-N 2.87Å; I91-A98 HydrophobicContact CD1-CB 3.98Å; I91-L102 HydrophobicContact CD1-CB 4.25Å; I91-L102 HydrophobicContact CD1-CD2 4.39Å; I91-L102 HydrophobicContact CG1-CD2 4.44Å
92	F	91.1	Very high	90.1	Very high	46 Å²	46	71.8 Å²	71.8	20%	0.202	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-87.1	-15.5	-179.6	-52.5	-61.2	0	0	0	113.1	Q23 K25 L26 E89 K90 I94	Q23-F92 HydrophobicContact CB-CE1 4.44Å; Q23-F92 VanDerWaalsContact OE1-CZ 3.22Å; K25-F92 HydrophobicContact CB-CD1 3.66Å; K25-F92 HydrophobicContact CB-CE1 3.91Å; K25-F92 HydrophobicContact CB-CG 4.15Å; K25-F92 HydrophobicContact CD-CE2 4.5Å; L26-F92 HydrophobicContact CB-CD1 4.35Å; L26-F92 HydrophobicContact CD1-CD1 4.02Å; L26-F92 HydrophobicContact CD1-CE1 4.42Å; E89-F92 PolarHBondContact O-N 3.42Å; E89-F92 VanDerWaalsContact O-N 3.11Å; K90-F92 PolarHBondContact O-N 3.21Å; K90-F92 VanDerWaalsContact O-N 3.1Å; F92-I94 PolarHBondContact O-N 3.14Å
93	D	88.1	Confident	89.7	Confident	83 Å²	83	71.1 Å²	71.1	44%	0.444	34%	0.341	S	S	.	.	S	Bend	trans	-78.7	118.3	172	175.8	9.9	0	0	0	109.8	K90 N95 S96 R99	K90-D93 PolarHBondContact O-N 3.46Å; D93-N95 PolarHBondContact O-N 2.98Å; D93-N95 VanDerWaalsContact O-N 3.14Å; D93-N95 PolarHBondContact OD1-N 3.2Å; D93-S96 WeakPolarHBondContact O-CB 3.32Å; D93-S96 PolarHBondContact O-N 2.83Å; D93-S96 VanDerWaalsContact O-N 3.11Å; D93-S96 PolarHBondContact O-OG 3.35Å; D93-R99 WeakPolarHBondContact O-CB 3.41Å
94	I	84.4	Confident	89.2	Confident	99 Å²	99	72 Å²	72	51%	0.508	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-25.3	-176.1	-162.4	165.4	0	0	0	113.5	F92 R99	F92-I94 PolarHBondContact O-N 3.14Å; I94-R99 WeakPolarHBondContact O-CG 3.33Å
95	N	83.6	Confident	89.1	Confident	142 Å²	142	72.1 Å²	72.1	76%	0.759	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	3.2	-177.5	-57.3	-55.9	0	0	0	113.1	D93	D93-N95 PolarHBondContact O-N 2.98Å; D93-N95 VanDerWaalsContact O-N 3.14Å; D93-N95 PolarHBondContact OD1-N 3.2Å
96	S	88.9	Confident	89	Confident	15 Å²	15	64.7 Å²	64.7	11%	0.105	31%	0.313	C	S	.	.	S	Bend	trans	-74.7	153.4	-179.7	70.4	0	0	0	0	112.5	K90 D93 A98 R99 F100	K90-S96 VanDerWaalsContact O-CB 3.3Å; K90-S96 WeakPolarHBondContact O-CB 3.38Å; K90-S96 PolarHBondContact O-OG 3.06Å; D93-S96 WeakPolarHBondContact O-CB 3.32Å; D93-S96 PolarHBondContact O-N 2.83Å; D93-S96 VanDerWaalsContact O-N 3.11Å; D93-S96 PolarHBondContact O-OG 3.35Å; S96-A98 PolarHBondContact O-N 3.38Å; S96-R99 WeakPolarHBondContact O-CB 3.42Å; S96-R99 PolarHBondContact O-N 2.94Å; S96-R99 VanDerWaalsContact O-N 3.13Å; S96-R99 VanDerWaalsContact OG-CB 3.28Å; S96-R99 WeakPolarHBondContact OG-CB 3.46Å; S96-R99 PolarHBondContact OG-N 2.67Å; S96-F100 PolarHBondContact O-N 3.27Å
97	D	87.2	Confident	88.8	Confident	123 Å²	123	61 Å²	61	66%	0.658	29%	0.294	S	S	*	.	H	α-helix	trans	-59.1	-35.4	171	-57.6	-51	0	0	0	111.6	R99 F100 R101	D97-R99 VanDerWaalsContact C-N 3.34Å; D97-R99 PolarHBondContact O-N 2.85Å; D97-F100 PolarHBondContact O-N 2.87Å; D97-R101 WeakPolarHBondContact O-CG 3.43Å; D97-R101 PolarHBondContact O-N 3.13Å
98	A	90.5	Very high	88.9	Confident	9 Å²	9	60.4 Å²	60.4	7%	0.074	29%	0.289	C	S	.	.	H	α-helix	trans	-60.9	-44.5	176.5	0	0	0	0	0	111.5	L83 S87 K90 I91 S96 R101 L102	L83-A98 HydrophobicContact CD1-CB 4.38Å; S87-A98 VanDerWaalsContact CB-CB 3.49Å; S87-A98 VanDerWaalsContact OG-CB 3.23Å; S87-A98 WeakPolarHBondContact OG-CB 3.46Å; K90-A98 HydrophobicContact CB-CB 4.25Å; I91-A98 HydrophobicContact CD1-CB 3.98Å; S96-A98 PolarHBondContact O-N 3.38Å; A98-R101 PolarHBondContact O-N 3.05Å; A98-L102 PolarHBondContact O-N 3.16Å
99	R	88.4	Confident	89.2	Confident	12 Å²	12	52.9 Å²	52.9	5%	0.045	26%	0.256	C	S	.	.	H	α-helix	trans	-64.5	-41.5	175.1	-178.9	68.1	163.5	179.3	-10.2	111.9	L26 L28 D93 I94 S96 D97 L102 I103	L26-R99 PolarHBondContact O-NH1 3.38Å; L26-R99 PolarHBondContact O-NH2 3.06Å; L28-R99 VanDerWaalsContact CD2-NH1 3.25Å; D93-R99 WeakPolarHBondContact O-CB 3.41Å; I94-R99 WeakPolarHBondContact O-CG 3.33Å; S96-R99 WeakPolarHBondContact O-CB 3.42Å; S96-R99 PolarHBondContact O-N 2.94Å; S96-R99 VanDerWaalsContact O-N 3.13Å; S96-R99 VanDerWaalsContact OG-CB 3.28Å; S96-R99 WeakPolarHBondContact OG-CB 3.46Å; S96-R99 PolarHBondContact OG-N 2.67Å; D97-R99 VanDerWaalsContact C-N 3.34Å; D97-R99 PolarHBondContact O-N 2.85Å; R99-L102 WeakPolarHBondContact O-CB 3.5Å; R99-L102 PolarHBondContact O-N 3.01Å; R99-I103 HydrophobicContact CG-CD1 4.32Å; R99-I103 WeakPolarHBondContact O-CG1 3.48Å; R99-I103 PolarHBondContact O-N 2.96Å
100	F	84.4	Confident	89.3	Confident	90 Å²	90	47.4 Å²	47.4	40%	0.395	23%	0.232	S	C	.	.	H	α-helix	trans	-61.2	-44.8	176.4	-177.2	-98.6	0	0	0	111.7	S96 D97 L102 I103 K104 F222	S96-F100 PolarHBondContact O-N 3.27Å; D97-F100 PolarHBondContact O-N 2.87Å; F100-L102 VanDerWaalsContact C-N 3.3Å; F100-L102 PolarHBondContact O-N 3.4Å; F100-I103 PolarHBondContact O-N 3.27Å; F100-I103 VanDerWaalsContact O-N 3.17Å; F100-K104 PolarHBondContact O-N 2.64Å; F100-F222 HydrophobicContact CZ-CB 4.29Å
101	R	88.5	Confident	89.5	Confident	107 Å²	107	41.1 Å²	41.1	40%	0.404	21%	0.205	S	C	.	.	H	α-helix	trans	-60.5	-37.4	173.9	-70	179.9	-160.9	-172.1	9.9	112.4	L83 D97 A98 K104 L105 S559	L83-R101 HydrophobicContact CD1-CB 4.04Å; L83-R101 HydrophobicContact CD2-CB 3.87Å; D97-R101 WeakPolarHBondContact O-CG 3.43Å; D97-R101 PolarHBondContact O-N 3.13Å; A98-R101 PolarHBondContact O-N 3.05Å; R101-K104 WeakPolarHBondContact O-CB 3.28Å; R101-K104 PolarHBondContact O-N 3.45Å; R101-L105 WeakPolarHBondContact O-CG 3.5Å; R101-L105 PolarHBondContact O-N 2.89Å; R101-S559 PolarHBondContact NH1-OG 3.45Å; R101-S559 VanDerWaalsContact NH1-OG 3.15Å; R101-S559 VanDerWaalsContact NH2-CB 3.3Å; R101-S559 PolarHBondContact NH2-OG 2.85Å
102	L	91.3	Very high	89.8	Confident	1 Å²	1	41 Å²	41	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-64.4	-43.4	174.6	-179.7	63.3	0	0	0	111.6	L26 I35 T80 L83 F84 I91 A98 R99 F100 K104 L105 S106	L26-L102 HydrophobicContact CD1-CD2 4.22Å; L26-L102 HydrophobicContact CD2-CD2 4.01Å; I35-L102 HydrophobicContact CD1-CD1 4.46Å; T80-L102 HydrophobicContact CG2-CD1 4.08Å; L83-L102 HydrophobicContact CD2-CB 3.97Å; F84-L102 HydrophobicContact CE2-CD1 3.81Å; F84-L102 HydrophobicContact CE2-CD2 4.29Å; F84-L102 HydrophobicContact CZ-CD1 4.24Å; F84-L102 HydrophobicContact CZ-CD2 3.91Å; I91-L102 HydrophobicContact CD1-CB 4.25Å; I91-L102 HydrophobicContact CD1-CD2 4.39Å; I91-L102 HydrophobicContact CG1-CD2 4.44Å; A98-L102 PolarHBondContact O-N 3.16Å; R99-L102 WeakPolarHBondContact O-CB 3.5Å; R99-L102 PolarHBondContact O-N 3.01Å; F100-L102 VanDerWaalsContact C-N 3.3Å; F100-L102 PolarHBondContact O-N 3.4Å; L102-K104 VanDerWaalsContact C-N 3.29Å; L102-K104 PolarHBondContact O-N 3.03Å; L102-L105 PolarHBondContact O-N 2.66Å; L102-S106 PolarHBondContact O-N 3.21Å; L102-S106 PolarHBondContact O-OG 2.61Å
103	I	86.6	Confident	90	Very high	31 Å²	31	39.4 Å²	39.4	16%	0.159	20%	0.198	C	C	.	.	H	α-helix	trans	-61	-41.2	176.1	-66.9	165.8	0	0	0	110.8	R99 F100 S106 L107 T224	R99-I103 HydrophobicContact CG-CD1 4.32Å; R99-I103 WeakPolarHBondContact O-CG1 3.48Å; R99-I103 PolarHBondContact O-N 2.96Å; F100-I103 PolarHBondContact O-N 3.27Å; F100-I103 VanDerWaalsContact O-N 3.17Å; I103-S106 WeakPolarHBondContact O-CB 3.46Å; I103-S106 PolarHBondContact O-N 3.45Å; I103-L107 PolarHBondContact O-N 3.36Å; I103-T224 HydrophobicContact CG2-CG2 4.41Å
104	K	85.7	Confident	90.4	Very high	34 Å²	34	37.8 Å²	37.8	15%	0.148	19%	0.189	C	C	.	.	H	α-helix	trans	-60.9	-46.2	175	-170.4	-172.8	-166	178.6	0	111.8	F100 R101 L102 S106 L107 V108 F222 D555 L556	F100-K104 PolarHBondContact O-N 2.64Å; R101-K104 WeakPolarHBondContact O-CB 3.28Å; R101-K104 PolarHBondContact O-N 3.45Å; L102-K104 VanDerWaalsContact C-N 3.29Å; L102-K104 PolarHBondContact O-N 3.03Å; K104-S106 VanDerWaalsContact C-N 3.32Å; K104-S106 PolarHBondContact O-N 2.92Å; K104-L107 WeakPolarHBondContact O-CB 3.44Å; K104-L107 PolarHBondContact O-N 2.92Å; K104-L107 VanDerWaalsContact O-N 3.13Å; K104-V108 WeakPolarHBondContact O-CG2 3.46Å; K104-V108 PolarHBondContact O-N 2.96Å; K104-F222 HydrophobicContact CG-CD1 4.42Å; K104-D555 PolarHBondContact NZ-O 2.86Å; K104-L556 HydrophobicContact CD-CD2 4.12Å; K104-L556 VanDerWaalsContact CE-CA 3.42Å; K104-L556 WeakPolarHBondContact CE-O 3.43Å; K104-L556 HydrophobicContact CG-CD2 3.96Å; K104-L556 PolarHBondContact NZ-O 3.44Å
105	L	92.1	Very high	91	Very high	20 Å²	20	33.2 Å²	33.2	11%	0.105	17%	0.166	C	C	.	.	H	α-helix	trans	-61.4	-39.9	174	-75.5	161.3	0	0	0	111.9	T80 L83 R101 L102 L107 V108 Y109	T80-L105 HydrophobicContact CG2-CD1 4.46Å; L83-L105 HydrophobicContact CD2-CD1 3.83Å; R101-L105 WeakPolarHBondContact O-CG 3.5Å; R101-L105 PolarHBondContact O-N 2.89Å; L102-L105 PolarHBondContact O-N 2.66Å; L105-L107 VanDerWaalsContact C-N 3.28Å; L105-L107 PolarHBondContact O-N 3.2Å; L105-V108 PolarHBondContact O-N 3.15Å; L105-V108 VanDerWaalsContact O-N 3.14Å; L105-Y109 WeakPolarHBondContact O-CD2 3.32Å; L105-Y109 PolarHBondContact O-N 3.33Å
106	S	91.8	Very high	91.6	Very high	5 Å²	5	26.4 Å²	26.4	4%	0.035	13%	0.13	C	C	.	.	H	α-helix	trans	-58.6	-38.8	173.4	-56.2	0	0	0	0	112.4	P33 L102 I103 K104 S110	P33-S106 WeakPolarHBondContact CB-O 3.42Å; L102-S106 PolarHBondContact O-N 3.21Å; L102-S106 PolarHBondContact O-OG 2.61Å; I103-S106 WeakPolarHBondContact O-CB 3.46Å; I103-S106 PolarHBondContact O-N 3.45Å; K104-S106 VanDerWaalsContact C-N 3.32Å; K104-S106 PolarHBondContact O-N 2.92Å; S106-S110 PolarHBondContact O-N 3.44Å; S106-S110 VanDerWaalsContact O-N 3.15Å
107	L	88.6	Confident	91.9	Very high	9 Å²	9	29.6 Å²	29.6	5%	0.047	14%	0.143	C	C	.	.	H	α-helix	trans	-64.2	-46.4	172.9	-77.5	170.2	0	0	0	111.2	P33 I103 K104 L105 Y109 S110 H111 F222 C250	P33-L107 HydrophobicContact CB-CD2 4.16Å; P33-L107 HydrophobicContact CG-CB 4.29Å; P33-L107 HydrophobicContact CG-CD2 3.49Å; P33-L107 VanDerWaalsContact CG-CD2 3.49Å; P33-L107 HydrophobicContact CG-CG 3.6Å; I103-L107 PolarHBondContact O-N 3.36Å; K104-L107 WeakPolarHBondContact O-CB 3.44Å; K104-L107 PolarHBondContact O-N 2.92Å; K104-L107 VanDerWaalsContact O-N 3.13Å; L105-L107 VanDerWaalsContact C-N 3.28Å; L105-L107 PolarHBondContact O-N 3.2Å; L107-Y109 VanDerWaalsContact C-N 3.34Å; L107-Y109 PolarHBondContact O-N 3.22Å; L107-S110 CarbonylContact O-C 3.6Å; L107-S110 WeakPolarHBondContact O-CA 3.25Å; L107-S110 WeakPolarHBondContact O-CB 3.29Å; L107-S110 PolarHBondContact O-N 2.97Å; L107-H111 PolarHBondContact O-CD2 2.93Å; L107-H111 VanDerWaalsContact O-CD2 3.27Å; L107-H111 VanDerWaalsContact O-CG 3.27Å; L107-H111 PolarHBondContact O-N 3.44Å; L107-F222 HydrophobicContact CD1-CB 3.94Å; L107-F222 HydrophobicContact CD1-CD1 3.62Å; L107-F222 HydrophobicContact CD1-CG 4.28Å; L107-C250 HydrophobicContact CD2-CB 4.21Å
108	V	93.1	Very high	92.3	Very high	7 Å²	7	24.9 Å²	24.9	4%	0.042	12%	0.121	C	C	.	.	H	α-helix	trans	-59	-43.3	177.8	175.4	0	0	0	0	111.6	K76 K104 L105 S110 H111 L112	K76-V108 HydrophobicContact CG-CG1 4.15Å; K104-V108 WeakPolarHBondContact O-CG2 3.46Å; K104-V108 PolarHBondContact O-N 2.96Å; L105-V108 PolarHBondContact O-N 3.15Å; L105-V108 VanDerWaalsContact O-N 3.14Å; V108-S110 VanDerWaalsContact C-N 3.3Å; V108-S110 PolarHBondContact O-N 3.3Å; V108-H111 PolarHBondContact O-N 3.1Å; V108-L112 HydrophobicContact CG1-CD1 4.17Å; V108-L112 HydrophobicContact CG1-CG 4.47Å; V108-L112 WeakPolarHBondContact O-CG 3.27Å; V108-L112 PolarHBondContact O-N 2.92Å
109	Y	95.6	Very high	92.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-59.2	-41.1	173	-79.5	-69.4	0	0	0	112.3	L14 I35 I39 I42 L73 S77 T80 L105 L107 H111 L112 L113	L14-Y109 HydrophobicContact CD2-CE1 4.03Å; I35-Y109 HydrophobicContact CD1-CD2 3.88Å; I35-Y109 HydrophobicContact CD1-CE2 4.03Å; I35-Y109 HydrophobicContact CG1-CD2 4.28Å; I39-Y109 HydrophobicContact CD1-CE1 4.43Å; I39-Y109 HydrophobicContact CD1-CE2 4.41Å; I39-Y109 HydrophobicContact CG1-CD1 4.24Å; I39-Y109 HydrophobicContact CG1-CE1 4.4Å; I39-Y109 HydrophobicContact CG1-CG 4.39Å; I42-Y109 HydrophobicContact CD1-CD1 3.93Å; L73-Y109 HydrophobicContact CD1-CD1 3.96Å; L73-Y109 HydrophobicContact CD1-CE1 3.69Å; S77-Y109 WeakPolarHBondContact CA-OH 3.37Å; S77-Y109 WeakPolarHBondContact CB-OH 3.38Å; S77-Y109 PolarHBondContact N-OH 3.44Å; S77-Y109 PolarHBondContact OG-OH 3.42Å; T80-Y109 PolarHBondContact OG1-OH 3.39Å; L105-Y109 WeakPolarHBondContact O-CD2 3.32Å; L105-Y109 PolarHBondContact O-N 3.33Å; L107-Y109 VanDerWaalsContact C-N 3.34Å; L107-Y109 PolarHBondContact O-N 3.22Å; Y109-H111 VanDerWaalsContact C-N 3.34Å; Y109-L112 PolarHBondContact O-N 3.49Å; Y109-L113 PolarHBondContact O-N 2.92Å
110	S	94	Very high	93	Very high	12 Å²	12	23.9 Å²	23.9	8%	0.084	12%	0.115	C	C	.	.	H	α-helix	trans	-64.9	-39.4	176.3	-177.3	0	0	0	0	111.7	S106 L107 V108 L113 N114	S106-S110 PolarHBondContact O-N 3.44Å; S106-S110 VanDerWaalsContact O-N 3.15Å; L107-S110 CarbonylContact O-C 3.6Å; L107-S110 WeakPolarHBondContact O-CA 3.25Å; L107-S110 WeakPolarHBondContact O-CB 3.29Å; L107-S110 PolarHBondContact O-N 2.97Å; V108-S110 VanDerWaalsContact C-N 3.3Å; V108-S110 PolarHBondContact O-N 3.3Å; S110-L113 PolarHBondContact O-N 3.09Å; S110-N114 PolarHBondContact O-N 3.34Å; S110-N114 VanDerWaalsContact O-N 3.13Å; S110-N114 PolarHBondContact O-ND2 3.22Å
111	H	94.5	Very high	93.5	Very high	17 Å²	17	22.3 Å²	22.3	8%	0.079	11%	0.114	C	C	.	.	H	α-helix	trans	-64.5	-45.6	174.9	-60.6	-30.1	0	0	0	111.8	L107 V108 Y109 L113 N114 D115 I181 L253	L107-H111 PolarHBondContact O-CD2 2.93Å; L107-H111 VanDerWaalsContact O-CD2 3.27Å; L107-H111 VanDerWaalsContact O-CG 3.27Å; L107-H111 PolarHBondContact O-N 3.44Å; V108-H111 PolarHBondContact O-N 3.1Å; Y109-H111 VanDerWaalsContact C-N 3.34Å; H111-L113 VanDerWaalsContact C-N 3.34Å; H111-L113 PolarHBondContact O-N 3.49Å; H111-N114 PolarHBondContact O-N 3.31Å; H111-D115 WeakPolarHBondContact O-CB 3.41Å; H111-D115 PolarHBondContact O-N 2.77Å; H111-I181 HydrophobicContact CB-CB 4.44Å; H111-I181 HydrophobicContact CB-CD1 4.09Å; H111-I181 HydrophobicContact CB-CG1 4.24Å; H111-I181 PolarHBondContact CD2-O 3.37Å; H111-L253 VanDerWaalsContact CE1-CD2 3.43Å; H111-L253 WeakPolarHBondContact CE1-CD2 3.47Å; H111-L253 WeakPolarHBondContact ND1-CD2 3.42Å
112	L	96.8	Very high	93.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-56.1	-46.8	174.4	-74.4	168	0	0	0	111.7	Y69 T72 L73 K76 V108 Y109 N114 D115 L116 T182	Y69-L112 HydrophobicContact CD2-CD2 4.16Å; Y69-L112 HydrophobicContact CE2-CB 3.93Å; Y69-L112 HydrophobicContact CE2-CD2 3.88Å; Y69-L112 VanDerWaalsContact CE2-O 3.32Å; Y69-L112 WeakPolarHBondContact CE2-O 3.44Å; T72-L112 HydrophobicContact CG2-CD1 4.38Å; T72-L112 HydrophobicContact CG2-CD2 3.88Å; L73-L112 HydrophobicContact CD1-CD1 4.12Å; K76-L112 HydrophobicContact CG-CD1 4.44Å; V108-L112 HydrophobicContact CG1-CD1 4.17Å; V108-L112 HydrophobicContact CG1-CG 4.47Å; V108-L112 WeakPolarHBondContact O-CG 3.27Å; V108-L112 PolarHBondContact O-N 2.92Å; Y109-L112 PolarHBondContact O-N 3.49Å; L112-N114 PolarHBondContact O-N 3.33Å; L112-D115 PolarHBondContact O-N 2.93Å; L112-L116 WeakPolarHBondContact O-CB 3.46Å; L112-L116 PolarHBondContact O-N 3.39Å; L112-T182 HydrophobicContact CD2-CG2 3.81Å; L112-T182 HydrophobicContact CG-CG2 4.29Å
113	L	96.8	Very high	93.9	Very high	12 Å²	12	25.8 Å²	25.8	6%	0.063	14%	0.136	C	C	.	.	H	α-helix	trans	-58.4	-48.3	177.2	177.7	58.9	0	0	0	112.1	T38 D41 I42 K45 Y109 S110 H111 D115 L116 E117	T38-L113 HydrophobicContact CG2-CB 4.42Å; T38-L113 HydrophobicContact CG2-CD2 4.17Å; D41-L113 HydrophobicContact CB-CD1 4.31Å; D41-L113 HydrophobicContact CB-CD2 3.6Å; I42-L113 HydrophobicContact CD1-CB 4.26Å; I42-L113 HydrophobicContact CG1-CB 3.71Å; I42-L113 HydrophobicContact CG1-CD1 3.87Å; I42-L113 HydrophobicContact CG1-CD2 4.5Å; I42-L113 HydrophobicContact CG1-CG 4.22Å; K45-L113 HydrophobicContact CB-CD1 4.47Å; Y109-L113 PolarHBondContact O-N 2.92Å; S110-L113 PolarHBondContact O-N 3.09Å; H111-L113 VanDerWaalsContact C-N 3.34Å; H111-L113 PolarHBondContact O-N 3.49Å; L113-D115 VanDerWaalsContact C-N 3.35Å; L113-D115 PolarHBondContact O-N 3.33Å; L113-L116 PolarHBondContact O-N 3.45Å; L113-E117 HydrophobicContact CD1-CG 4.18Å; L113-E117 WeakPolarHBondContact O-CB 3.46Å; L113-E117 WeakPolarHBondContact O-CG 3.21Å; L113-E117 PolarHBondContact O-N 3.32Å
114	N	95.5	Very high	94.4	Very high	48 Å²	48	27 Å²	27	26%	0.257	14%	0.144	S	C	.	.	H	α-helix	trans	-67	-36.6	-178.6	-79.9	-102	0	0	0	112.4	S110 H111 L112 E117 A118 F190 L253	S110-N114 PolarHBondContact O-N 3.34Å; S110-N114 VanDerWaalsContact O-N 3.13Å; S110-N114 PolarHBondContact O-ND2 3.22Å; H111-N114 PolarHBondContact O-N 3.31Å; L112-N114 PolarHBondContact O-N 3.33Å; N114-E117 PolarHBondContact O-N 3.2Å; N114-A118 VanDerWaalsContact O-CB 3.28Å; N114-A118 WeakPolarHBondContact O-CB 3.37Å; N114-A118 PolarHBondContact O-N 2.92Å; N114-F190 HydrophobicContact CB-CE1 4.29Å; N114-F190 HydrophobicContact CB-CZ 3.77Å; N114-L253 HydrophobicContact CB-CD1 3.47Å; N114-L253 VanDerWaalsContact CB-CD1 3.47Å
115	D	96.4	Very high	94.8	Very high	3 Å²	3	28 Å²	28	2%	0.016	15%	0.149	C	C	.	.	H	α-helix	trans	-65.5	-42.6	175.7	-176.2	55.1	0	0	0	111	Y65 H111 L112 L113 A118 L119 T182 S188 F190	Y65-D115 WeakPolarHBondContact CE2-OD2 3.34Å; Y65-D115 VanDerWaalsContact OH-CG 3.24Å; Y65-D115 PolarHBondContact OH-O 3.04Å; Y65-D115 PolarHBondContact OH-OD2 3.03Å; H111-D115 WeakPolarHBondContact O-CB 3.41Å; H111-D115 PolarHBondContact O-N 2.77Å; L112-D115 PolarHBondContact O-N 2.93Å; L113-D115 VanDerWaalsContact C-N 3.35Å; L113-D115 PolarHBondContact O-N 3.33Å; D115-A118 WeakPolarHBondContact O-CB 3.42Å; D115-A118 PolarHBondContact O-N 3.27Å; D115-L119 PolarHBondContact O-N 2.69Å; D115-T182 HydrophobicContact CB-CG2 4.46Å; D115-S188 WeakPolarHBondContact OD1-CB 3.04Å; D115-S188 PolarHBondContact OD1-OG 3Å; D115-F190 HydrophobicContact CB-CD1 3.67Å; D115-F190 HydrophobicContact CB-CE1 3.99Å; D115-F190 HydrophobicContact CB-CG 4.46Å; D115-F190 WeakPolarHBondContact OD1-CB 3.38Å; D115-F190 VanDerWaalsContact OD1-CD1 3.31Å; D115-F190 WeakPolarHBondContact OD1-CD1 3.39Å
116	L	97.2	Very high	94.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62.8	-45.8	174.1	-176.4	66.6	0	0	0	111.8	K45 L46 I49 Y65 Y69 L112 L113 A118 L119 F120	K45-L116 HydrophobicContact CB-CD2 4.19Å; K45-L116 HydrophobicContact CG-CD2 3.58Å; K45-L116 HydrophobicContact CG-CG 4.1Å; L46-L116 HydrophobicContact CD2-CD2 3.96Å; L46-L116 HydrophobicContact CG-CD2 4.2Å; I49-L116 HydrophobicContact CD1-CD1 3.78Å; I49-L116 HydrophobicContact CD1-CD2 4.04Å; I49-L116 HydrophobicContact CD1-CG 3.97Å; Y65-L116 HydrophobicContact CE1-CD1 4.25Å; Y65-L116 WeakPolarHBondContact OH-CA 3.43Å; Y65-L116 PolarHBondContact OH-N 2.98Å; Y69-L116 HydrophobicContact CD1-CD1 4.22Å; Y69-L116 HydrophobicContact CD2-CB 4.42Å; Y69-L116 HydrophobicContact CD2-CD1 4.43Å; Y69-L116 HydrophobicContact CE1-CD1 4.13Å; Y69-L116 HydrophobicContact CE1-CD2 3.85Å; Y69-L116 HydrophobicContact CE1-CG 4.4Å; Y69-L116 HydrophobicContact CE2-CB 3.73Å; Y69-L116 HydrophobicContact CE2-CD1 4.36Å; Y69-L116 HydrophobicContact CE2-CG 4.42Å; Y69-L116 HydrophobicContact CG-CD1 4.38Å; L112-L116 WeakPolarHBondContact O-CB 3.46Å; L112-L116 PolarHBondContact O-N 3.39Å; L113-L116 PolarHBondContact O-N 3.45Å; L116-A118 VanDerWaalsContact C-N 3.29Å; L116-A118 PolarHBondContact O-N 3.2Å; L116-L119 PolarHBondContact O-N 3.37Å; L116-F120 HydrophobicContact CD1-CD2 3.72Å; L116-F120 HydrophobicContact CD1-CE2 4.1Å; L116-F120 HydrophobicContact CD1-CG 4.48Å; L116-F120 WeakPolarHBondContact O-CB 3.46Å; L116-F120 PolarHBondContact O-N 3.48Å
117	E	95.8	Very high	94.7	Very high	82 Å²	82	31.6 Å²	31.6	38%	0.383	17%	0.171	S	C	.	.	H	α-helix	trans	-64.9	-32.9	177.9	-73.6	-178.8	150.3	0	0	112.7	K45 L113 N114 F120 P121	K45-E117 HydrophobicContact CD-CG 4.4Å; L113-E117 HydrophobicContact CD1-CG 4.18Å; L113-E117 WeakPolarHBondContact O-CB 3.46Å; L113-E117 WeakPolarHBondContact O-CG 3.21Å; L113-E117 PolarHBondContact O-N 3.32Å; N114-E117 PolarHBondContact O-N 3.2Å; E117-F120 CarbonylContact O-C 3.58Å; E117-P121 WeakPolarHBondContact O-CA 3.44Å
118	A	94.8	Very high	94.7	Very high	24 Å²	24	38.3 Å²	38.3	20%	0.198	20%	0.2	C	C	.	.	H	α-helix	trans	-66.5	-36.8	176.7	0	0	0	0	0	112.9	N114 D115 L116 F130 F190	N114-A118 VanDerWaalsContact O-CB 3.28Å; N114-A118 WeakPolarHBondContact O-CB 3.37Å; N114-A118 PolarHBondContact O-N 2.92Å; D115-A118 WeakPolarHBondContact O-CB 3.42Å; D115-A118 PolarHBondContact O-N 3.27Å; L116-A118 VanDerWaalsContact C-N 3.29Å; L116-A118 PolarHBondContact O-N 3.2Å; A118-F130 HydrophobicContact CB-CD2 4.05Å; A118-F130 HydrophobicContact CB-CE2 3.79Å; A118-F190 HydrophobicContact CB-CB 4.1Å; A118-F190 HydrophobicContact CB-CD2 3.45Å; A118-F190 VanDerWaalsContact CB-CD2 3.45Å; A118-F190 HydrophobicContact CB-CE2 4.08Å; A118-F190 HydrophobicContact CB-CG 3.92Å
119	L	96.6	Very high	94.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-97.4	-16.1	-177.3	-67.6	173.8	0	0	0	113.9	Y65 D115 L116 P121 D126 F130 V149 I189	Y65-L119 HydrophobicContact CD1-CB 4.3Å; Y65-L119 HydrophobicContact CD1-CD1 3.84Å; Y65-L119 HydrophobicContact CD2-CD1 3.46Å; Y65-L119 VanDerWaalsContact CD2-CD1 3.46Å; Y65-L119 HydrophobicContact CE1-CB 3.99Å; Y65-L119 HydrophobicContact CE1-CD1 3.71Å; Y65-L119 HydrophobicContact CE1-CG 4.48Å; Y65-L119 HydrophobicContact CE2-CD1 3.32Å; Y65-L119 HydrophobicContact CG-CD1 3.73Å; Y65-L119 VanDerWaalsContact CZ-CD1 3.45Å; D115-L119 PolarHBondContact O-N 2.69Å; L116-L119 PolarHBondContact O-N 3.37Å; L119-P121 VanDerWaalsContact C-CD 3.4Å; L119-D126 PolarHBondContact O-N 2.93Å; L119-F130 HydrophobicContact CD2-CB 4.44Å; L119-V149 HydrophobicContact CD1-CB 4.46Å; L119-V149 HydrophobicContact CD2-CB 4.04Å; L119-V149 HydrophobicContact CD2-CG1 4.14Å; L119-I189 HydrophobicContact CD2-CG2 3.84Å
120	F	96.9	Very high	94.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.219	C	C	.	.			trans	-122.5	58.6	171.7	-70	-100.1	0	0	0	112.2	K45 I49 Y53 L60 I63 Y65 F66 L116 E117 H122 D123 T124 F125	K45-F120 VanDerWaalsContact CE-O 3.25Å; K45-F120 WeakPolarHBondContact CE-O 3.45Å; K45-F120 PolarHBondContact NZ-O 2.88Å; I49-F120 HydrophobicContact CD1-CB 3.7Å; I49-F120 HydrophobicContact CD1-CD1 3.84Å; I49-F120 HydrophobicContact CD1-CD2 4.14Å; I49-F120 HydrophobicContact CD1-CE1 4.49Å; I49-F120 HydrophobicContact CD1-CG 3.65Å; I49-F120 HydrophobicContact CG1-CB 4.1Å; I49-F120 HydrophobicContact CG1-CD1 3.87Å; I49-F120 HydrophobicContact CG1-CG 4.11Å; I49-F120 HydrophobicContact CG2-CD1 3.83Å; I49-F120 HydrophobicContact CG2-CE1 3.7Å; I49-F120 HydrophobicContact CG2-CZ 4.44Å; Y53-F120 HydrophobicContact CE2-CE1 4.17Å; L60-F120 HydrophobicContact CD1-CE1 3.99Å; L60-F120 HydrophobicContact CD1-CZ 4.04Å; I63-F120 HydrophobicContact CD1-CZ 4.47Å; Y65-F120 AromaticContact CD1-CE2 3.85Å; Y65-F120 HydrophobicContact CD1-CE2 3.85Å; Y65-F120 HydrophobicContact CE1-CD2 4.24Å; Y65-F120 AromaticContact CE1-CE2 3.89Å; Y65-F120 HydrophobicContact CE1-CE2 3.89Å; F66-F120 HydrophobicContact CD2-CE2 4.48Å; F66-F120 HydrophobicContact CD2-CZ 4.2Å; L116-F120 HydrophobicContact CD1-CD2 3.72Å; L116-F120 HydrophobicContact CD1-CE2 4.1Å; L116-F120 HydrophobicContact CD1-CG 4.48Å; L116-F120 WeakPolarHBondContact O-CB 3.46Å; L116-F120 PolarHBondContact O-N 3.48Å; E117-F120 CarbonylContact O-C 3.58Å; F120-H122 VanDerWaalsContact C-N 3.28Å; F120-H122 PolarHBondContact O-N 3.49Å; F120-D123 PolarHBondContact O-N 2.94Å; F120-D123 VanDerWaalsContact O-N 3.17Å; F120-T124 VanDerWaalsContact CA-O 3.31Å; F120-T124 WeakPolarHBondContact CA-O 3.34Å; F120-F125 HydrophobicContact CD1-CB 4.16Å; F120-F125 HydrophobicContact CD2-CD2 4.41Å; F120-F125 HydrophobicContact CE1-CB 3.61Å; F120-F125 HydrophobicContact CE1-CD2 4.38Å; F120-F125 HydrophobicContact CE1-CG 4.46Å; F120-F125 AromaticContact CE2-CD2 3.83Å; F120-F125 HydrophobicContact CE2-CD2 3.83Å; F120-F125 HydrophobicContact CZ-CB 3.84Å; F120-F125 AromaticContact CZ-CD2 3.81Å; F120-F125 HydrophobicContact CZ-CD2 3.81Å; F120-F125 HydrophobicContact CZ-CG 4.22Å
121	P	94.3	Very high	94.2	Very high	56 Å²	56	43.5 Å²	43.5	36%	0.364	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-36.1	-172.1	23.2	-34.2	0	0	0	113.7	E117 L119 D126	E117-P121 WeakPolarHBondContact O-CA 3.44Å; L119-P121 VanDerWaalsContact C-CD 3.4Å; P121-D126 HydrophobicContact CG-CB 4.15Å
122	H	94.5	Very high	94.3	Very high	149 Å²	149	43.4 Å²	43.4	69%	0.69	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.1	34.6	178.6	-59.3	-52.4	0	0	0	112	F120 T124	F120-H122 VanDerWaalsContact C-N 3.28Å; F120-H122 PolarHBondContact O-N 3.49Å; H122-T124 PolarHBondContact O-N 3.28Å
123	D	95.6	Very high	94.2	Very high	33 Å²	33	43.4 Å²	43.4	18%	0.176	23%	0.228	C	C	.	.	S	Bend	trans	60.6	10.3	-175.5	-49.5	-44	0	0	0	113.5	K45 R48 I49 N52 F120	K45-D123 WeakPolarHBondContact CD-OD1 3.33Å; K45-D123 WeakPolarHBondContact CE-OD1 3.47Å; K45-D123 IonicContact NZ-OD1 3.48Å; K45-D123 PolarHBondContact NZ-OD1 3.43Å; R48-D123 HydrophobicContact CB-CB 4.22Å; R48-D123 WeakPolarHBondContact CB-OD2 3.14Å; R48-D123 IonicContact NE-OD1 3.59Å; R48-D123 IonicContact NE-OD2 2.65Å; I49-D123 HydrophobicContact CG1-CB 4.12Å; N52-D123 PolarHBondContact ND2-O 3.47Å; F120-D123 PolarHBondContact O-N 2.94Å; F120-D123 VanDerWaalsContact O-N 3.17Å
124	T	95.3	Very high	94	Very high	56 Å²	56	43.5 Å²	43.5	34%	0.344	23%	0.228	S	C	.	.	S	Bend	trans	-112.6	139.7	171.6	46.9	0	0	0	0	109.3	N52 F120 H122 D126	N52-T124 WeakPolarHBondContact ND2-CG2 3.48Å; F120-T124 VanDerWaalsContact CA-O 3.31Å; F120-T124 WeakPolarHBondContact CA-O 3.34Å; H122-T124 PolarHBondContact O-N 3.28Å; T124-D126 PolarHBondContact O-N 3.3Å
125	F	95.7	Very high	93.8	Very high	54 Å²	54	43 Å²	43	24%	0.237	23%	0.227	C	C	.	.			trans	-67.8	120.8	175.7	-177.3	-116.8	0	0	0	110.4	Y53 I63 Y65 F120 V149	Y53-F125 PolarHBondContact OH-N 2.97Å; I63-F125 HydrophobicContact CD1-CB 3.63Å; I63-F125 HydrophobicContact CD1-CD1 3.82Å; I63-F125 HydrophobicContact CD1-CD2 4.44Å; I63-F125 HydrophobicContact CD1-CG 3.72Å; I63-F125 HydrophobicContact CG1-CD1 4.13Å; I63-F125 HydrophobicContact CG1-CE1 4.48Å; I63-F125 HydrophobicContact CG1-CG 4.42Å; I63-F125 HydrophobicContact CG2-CD1 4.14Å; I63-F125 HydrophobicContact CG2-CD2 3.99Å; I63-F125 HydrophobicContact CG2-CE1 3.95Å; I63-F125 HydrophobicContact CG2-CE2 3.8Å; I63-F125 HydrophobicContact CG2-CG 4.15Å; I63-F125 HydrophobicContact CG2-CZ 3.78Å; Y65-F125 HydrophobicContact CD1-CE2 4.35Å; F120-F125 HydrophobicContact CD1-CB 4.16Å; F120-F125 HydrophobicContact CD2-CD2 4.41Å; F120-F125 HydrophobicContact CE1-CB 3.61Å; F120-F125 HydrophobicContact CE1-CD2 4.38Å; F120-F125 HydrophobicContact CE1-CG 4.46Å; F120-F125 AromaticContact CE2-CD2 3.83Å; F120-F125 HydrophobicContact CE2-CD2 3.83Å; F120-F125 HydrophobicContact CZ-CB 3.84Å; F120-F125 AromaticContact CZ-CD2 3.81Å; F120-F125 HydrophobicContact CZ-CD2 3.81Å; F120-F125 HydrophobicContact CZ-CG 4.22Å; F125-V149 HydrophobicContact CE2-CG2 4.07Å; F125-V149 HydrophobicContact CZ-CG1 4.2Å; F125-V149 HydrophobicContact CZ-CG2 3.71Å
126	D	92.3	Very high	93.7	Very high	58 Å²	58	45.2 Å²	45.2	31%	0.31	24%	0.239	S	C	.	.			trans	-124.4	87.3	-179.2	-173.8	6.4	0	0	0	111.2	L119 P121 T124 K128 G129	L119-D126 PolarHBondContact O-N 2.93Å; P121-D126 HydrophobicContact CG-CB 4.15Å; T124-D126 PolarHBondContact O-N 3.3Å; D126-K128 VanDerWaalsContact C-N 3.3Å; D126-K128 PolarHBondContact O-N 3.44Å; D126-K128 PolarHBondContact OD1-N 3.41Å; D126-G129 WeakPolarHBondContact OD1-CA 3.39Å; D126-G129 PolarHBondContact OD1-N 3.06Å; D126-G129 VanDerWaalsContact OD2-CA 3.27Å; D126-G129 WeakPolarHBondContact OD2-CA 3.45Å
127	S	88.9	Confident	93.7	Very high	44 Å²	44	45.2 Å²	45.2	31%	0.308	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-23.8	178.6	60.2	0	0	0	0	113.9
128	K	87.4	Confident	93.7	Very high	150 Å²	150	42.9 Å²	42.9	65%	0.652	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99	-22.8	-174	-66.5	-174.8	177.2	-177.6	0	113.3	D126	D126-K128 VanDerWaalsContact C-N 3.3Å; D126-K128 PolarHBondContact O-N 3.44Å; D126-K128 PolarHBondContact OD1-N 3.41Å
129	G	88	Confident	93.7	Very high	32 Å²	32	48.5 Å²	48.5	33%	0.33	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-23.1	-179.8	0	0	0	0	0	113.8	D126 R131	D126-G129 WeakPolarHBondContact OD1-CA 3.39Å; D126-G129 PolarHBondContact OD1-N 3.06Å; D126-G129 VanDerWaalsContact OD2-CA 3.27Å; D126-G129 WeakPolarHBondContact OD2-CA 3.45Å; G129-R131 PolarHBondContact O-N 3.39Å
130	F	92.6	Very high	93.8	Very high	26 Å²	26	49.5 Å²	49.5	11%	0.114	25%	0.253	C	S	.	.			trans	-68	130.3	176.2	-168.2	-86.9	0	0	0	111.3	A118 L119 I132 I189 F190 D193	A118-F130 HydrophobicContact CB-CD2 4.05Å; A118-F130 HydrophobicContact CB-CE2 3.79Å; L119-F130 HydrophobicContact CD2-CB 4.44Å; F130-I132 HydrophobicContact CE1-CG1 4.38Å; F130-I189 HydrophobicContact CB-CG2 4.45Å; F130-I189 HydrophobicContact CD1-CB 4.27Å; F130-I189 HydrophobicContact CD1-CD1 3.85Å; F130-I189 HydrophobicContact CD1-CG1 3.74Å; F130-I189 HydrophobicContact CD1-CG2 3.67Å; F130-I189 HydrophobicContact CE1-CB 4.48Å; F130-I189 HydrophobicContact CE1-CG1 3.99Å; F130-I189 HydrophobicContact CE1-CG2 4.12Å; F130-I189 WeakPolarHBondContact CE1-O 3.48Å; F130-I189 HydrophobicContact CG-CG2 4.04Å; F130-F190 HydrophobicContact CE2-CB 4.03Å; F130-F190 AromaticContact CE2-CD2 3.95Å; F130-F190 HydrophobicContact CE2-CD2 3.95Å; F130-F190 HydrophobicContact CZ-CB 3.94Å; F130-F190 HydrophobicContact CZ-CD2 4.1Å; F130-D193 HydrophobicContact CE1-CB 3.83Å; F130-D193 HydrophobicContact CZ-CB 3.76Å
131	R	92.7	Very high	93.8	Very high	69 Å²	69	49.7 Å²	49.7	26%	0.26	25%	0.254	S	S	.	.			trans	-122.4	118.8	179.2	-60.4	-178	-167	-144.6	-3.3	111	G129 T133 P349 L458	G129-R131 PolarHBondContact O-N 3.39Å; R131-T133 PolarHBondContact O-N 3Å; R131-P349 HydrophobicContact CB-CB 3.9Å; R131-P349 HydrophobicContact CB-CG 4.19Å; R131-L458 PolarHBondContact NH1-O 2.93Å; R131-L458 PolarHBondContact NH2-O 2.89Å
132	I	95.7	Very high	93.9	Very high	15 Å²	15	52 Å²	52	8%	0.077	26%	0.262	C	S	.	.			trans	-60.1	129.3	164.7	-64.3	162	0	0	0	108.2	F130 A137 A138 W141 I189 F192	F130-I132 HydrophobicContact CE1-CG1 4.38Å; I132-A137 HydrophobicContact CG2-CB 3.89Å; I132-A138 HydrophobicContact CB-CB 3.84Å; I132-A138 HydrophobicContact CD1-CB 4.5Å; I132-A138 HydrophobicContact CG2-CB 4.1Å; I132-W141 HydrophobicContact CD1-CB 3.48Å; I132-W141 VanDerWaalsContact CD1-CB 3.48Å; I132-W141 HydrophobicContact CD1-CD2 4.19Å; I132-W141 HydrophobicContact CD1-CG 3.67Å; I132-I189 HydrophobicContact CD1-CD1 4.13Å; I132-I189 HydrophobicContact CD1-CG1 3.8Å; I132-I189 HydrophobicContact CG1-CD1 4.21Å; I132-I189 HydrophobicContact CG1-CG1 3.76Å; I132-F192 HydrophobicContact CD1-CD1 3.75Å; I132-F192 HydrophobicContact CD1-CE1 3.96Å; I132-F192 HydrophobicContact CG1-CD1 4.28Å
133	T	94.4	Very high	94	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.263	C	S	.	.	S	Bend	trans	-66	-45.8	-172.4	-56.1	0	0	0	0	111.5	R131 P135 D193 R197 E348 K379	R131-T133 PolarHBondContact O-N 3Å; T133-P135 WeakPolarHBondContact O-CD 3.39Å; T133-D193 WeakPolarHBondContact CA-OD1 3.33Å; T133-D193 WeakPolarHBondContact CB-OD1 3.31Å; T133-D193 PolarHBondContact N-OD1 2.81Å; T133-D193 PolarHBondContact OG1-OD1 3.15Å; T133-R197 HydrophobicContact CG2-CG 3.95Å; T133-R197 VanDerWaalsContact OG1-CD 3.3Å; T133-R197 WeakPolarHBondContact OG1-CD 3.46Å; T133-E348 HydrophobicContact CG2-CB 3.58Å; T133-E348 WeakPolarHBondContact O-CB 3.5Å; T133-K379 HydrophobicContact CG2-CB 3.6Å; T133-K379 WeakPolarHBondContact OG1-CD 3.49Å
134	K	93.8	Very high	94.1	Very high	15 Å²	15	50.6 Å²	50.6	7%	0.065	27%	0.268	C	S	.	.	S	Bend	trans	-84.2	117.5	-177.2	-62.8	-49.7	-167.4	175.2	0	110.9	N136 A137 A138 Q200 E348	K134-N136 VanDerWaalsContact C-N 3.3Å; K134-N136 PolarHBondContact O-N 3.28Å; K134-A137 HydrophobicContact CB-CB 3.95Å; K134-A137 WeakPolarHBondContact O-CB 3.08Å; K134-A137 PolarHBondContact O-N 3.28Å; K134-A137 VanDerWaalsContact O-N 3.11Å; K134-A138 PolarHBondContact O-N 3.01Å; K134-Q200 VanDerWaalsContact CE-CD 3.49Å; K134-Q200 VanDerWaalsContact CE-OE1 3.22Å; K134-E348 WeakPolarHBondContact CD-OE1 3.18Å; K134-E348 VanDerWaalsContact CD-OE2 3.22Å; K134-E348 WeakPolarHBondContact CD-OE2 3.44Å; K134-E348 VanDerWaalsContact CE-OE2 3.32Å; K134-E348 WeakPolarHBondContact CE-OE2 3.41Å; K134-E348 IonicContact NZ-OE1 2.96Å; K134-E348 PolarHBondContact NZ-OE1 2.99Å; K134-E348 IonicContact NZ-OE2 3.59Å; K134-E348 PolarHBondContact NZ-OE2 3.45Å
135	P	92	Very high	94.2	Very high	37 Å²	37	48.7 Å²	48.7	24%	0.24	26%	0.255	C	S	.	.	H	α-helix	trans	-59.6	-35.3	-175	-27.6	35.9	0	0	0	114.7	T133 A138 R139 E348	T133-P135 WeakPolarHBondContact O-CD 3.39Å; P135-A138 PolarHBondContact O-N 3.39Å; P135-R139 WeakPolarHBondContact O-CG 3.31Å; P135-R139 PolarHBondContact O-N 2.83Å; P135-E348 VanDerWaalsContact CD-OE1 3.28Å; P135-E348 WeakPolarHBondContact CD-OE1 3.44Å
136	N	93.2	Very high	94.2	Very high	50 Å²	50	47.6 Å²	47.6	27%	0.267	26%	0.259	S	S	.	.	H	α-helix	trans	-68.8	-40.7	178.4	-62.2	-16.2	0	0	0	111.4	K134 R139 W140 W202	K134-N136 VanDerWaalsContact C-N 3.3Å; K134-N136 PolarHBondContact O-N 3.28Å; N136-R139 PolarHBondContact O-N 3.42Å; N136-R139 PolarHBondContact OD1-NH2 3.14Å; N136-W140 WeakPolarHBondContact O-CB 3.49Å; N136-W140 PolarHBondContact O-N 2.95Å; N136-W202 HydrophobicContact CB-CB 3.84Å; N136-W202 VanDerWaalsContact CB-CD1 3.44Å; N136-W202 HydrophobicContact CB-CG 3.63Å
137	A	96.3	Very high	94.2	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-66.7	-40.3	174.2	0	0	0	0	0	111.6	I132 K134 R139 W140 W141 F192 T196 W202	I132-A137 HydrophobicContact CG2-CB 3.89Å; K134-A137 HydrophobicContact CB-CB 3.95Å; K134-A137 WeakPolarHBondContact O-CB 3.08Å; K134-A137 PolarHBondContact O-N 3.28Å; K134-A137 VanDerWaalsContact O-N 3.11Å; A137-R139 PolarHBondContact O-N 3.34Å; A137-W140 WeakPolarHBondContact O-CB 3.25Å; A137-W140 PolarHBondContact O-N 3.39Å; A137-W141 PolarHBondContact O-N 3.21Å; A137-F192 HydrophobicContact CB-CE1 3.8Å; A137-F192 HydrophobicContact CB-CZ 3.94Å; A137-F192 WeakPolarHBondContact O-CE1 3.42Å; A137-T196 HydrophobicContact CB-CG2 3.6Å; A137-W202 HydrophobicContact CB-CD2 4.1Å; A137-W202 HydrophobicContact CB-CE3 3.57Å; A137-W202 HydrophobicContact CB-CH2 4.48Å; A137-W202 HydrophobicContact CB-CZ3 3.79Å
138	A	95.8	Very high	94.6	Very high	32 Å²	32	50.6 Å²	50.6	26%	0.264	28%	0.276	S	S	.	.	H	α-helix	trans	-58.8	-46.5	176	0	0	0	0	0	111.9	I132 K134 P135 W140 W141 L142	I132-A138 HydrophobicContact CB-CB 3.84Å; I132-A138 HydrophobicContact CD1-CB 4.5Å; I132-A138 HydrophobicContact CG2-CB 4.1Å; K134-A138 PolarHBondContact O-N 3.01Å; P135-A138 PolarHBondContact O-N 3.39Å; A138-W140 VanDerWaalsContact C-N 3.34Å; A138-W141 PolarHBondContact O-N 3.5Å; A138-L142 WeakPolarHBondContact O-CB 3.28Å; A138-L142 PolarHBondContact O-N 3.24Å
139	R	95.9	Very high	95	Very high	143 Å²	143	44 Å²	44	54%	0.54	25%	0.248	S	C	.	.	H	α-helix	trans	-64.2	-39.6	175.6	-73	-175.2	-68.1	129.5	-11.7	112.2	P135 N136 A137 S143	P135-R139 WeakPolarHBondContact O-CG 3.31Å; P135-R139 PolarHBondContact O-N 2.83Å; N136-R139 PolarHBondContact O-N 3.42Å; N136-R139 PolarHBondContact OD1-NH2 3.14Å; A137-R139 PolarHBondContact O-N 3.34Å; R139-S143 VanDerWaalsContact O-CB 3.29Å; R139-S143 WeakPolarHBondContact O-CB 3.4Å; R139-S143 PolarHBondContact O-N 3.2Å
140	W	97.8	Very high	95.5	Very high	20 Å²	20	42.8 Å²	42.8	8%	0.076	23%	0.234	C	C	.	.	H	α-helix	trans	-63.3	-45.9	176.8	-179.2	86.2	0	0	0	111.9	N136 A137 A138 S143 N144 F145 F156 L160 T163 F192 W202	N136-W140 WeakPolarHBondContact O-CB 3.49Å; N136-W140 PolarHBondContact O-N 2.95Å; A137-W140 WeakPolarHBondContact O-CB 3.25Å; A137-W140 PolarHBondContact O-N 3.39Å; A138-W140 VanDerWaalsContact C-N 3.34Å; W140-S143 PolarHBondContact O-N 3.06Å; W140-N144 PolarHBondContact NE1-ND2 3.08Å; W140-N144 PolarHBondContact O-N 3.27Å; W140-N144 VanDerWaalsContact O-N 3.15Å; W140-N144 PolarHBondContact O-ND2 3.32Å; W140-F145 AromaticContact CH2-CE2 3.84Å; W140-F145 HydrophobicContact CH2-CE2 3.84Å; W140-F145 HydrophobicContact CH2-CZ 4.04Å; W140-F145 AromaticContact CZ3-CE2 3.67Å; W140-F145 HydrophobicContact CZ3-CE2 3.67Å; W140-F145 HydrophobicContact CZ3-CZ 4.34Å; W140-F156 HydrophobicContact CH2-CD2 4.33Å; W140-F156 AromaticContact CH2-CE2 3.9Å; W140-F156 HydrophobicContact CH2-CE2 3.9Å; W140-F156 HydrophobicContact CH2-CZ 4.27Å; W140-F156 HydrophobicContact CZ3-CD2 4.45Å; W140-F156 AromaticContact CZ3-CE2 3.79Å; W140-F156 HydrophobicContact CZ3-CE2 3.79Å; W140-F156 HydrophobicContact CZ3-CZ 4.35Å; W140-L160 HydrophobicContact CH2-CD1 4.2Å; W140-L160 HydrophobicContact CZ2-CD1 4.19Å; W140-T163 PolarHBondContact NE1-OG1 3.48Å; W140-F192 HydrophobicContact CD2-CZ 4.44Å; W140-F192 HydrophobicContact CE3-CE1 4.09Å; W140-F192 AromaticContact CE3-CE2 3.9Å; W140-F192 HydrophobicContact CE3-CE2 3.9Å; W140-F192 AromaticContact CE3-CZ 3.38Å; W140-F192 HydrophobicContact CE3-CZ 3.38Å; W140-F192 HydrophobicContact CZ3-CD2 4.45Å; W140-F192 HydrophobicContact CZ3-CE1 4.41Å; W140-F192 AromaticContact CZ3-CE2 3.65Å; W140-F192 HydrophobicContact CZ3-CE2 3.65Å; W140-F192 AromaticContact CZ3-CZ 3.63Å; W140-F192 HydrophobicContact CZ3-CZ 3.63Å; W140-W202 HydrophobicContact CB-CH2 4.07Å; W140-W202 HydrophobicContact CB-CZ2 3.5Å; W140-W202 AromaticContact CD1-CZ2 3.72Å; W140-W202 AromaticContact CD2-CH2 3.7Å; W140-W202 HydrophobicContact CD2-CH2 3.7Å; W140-W202 AromaticContact CD2-CZ2 3.75Å; W140-W202 HydrophobicContact CD2-CZ2 3.75Å; W140-W202 AromaticContact CE3-CH2 3.85Å; W140-W202 HydrophobicContact CE3-CH2 3.85Å; W140-W202 HydrophobicContact CE3-CZ2 4.34Å; W140-W202 AromaticContact CG-CH2 3.8Å; W140-W202 HydrophobicContact CG-CH2 3.8Å; W140-W202 AromaticContact CG-CZ2 3.34Å; W140-W202 HydrophobicContact CG-CZ2 3.34Å
141	W	97.8	Very high	95.8	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.015	23%	0.231	C	C	.	.	H	α-helix	trans	-59.3	-51.8	176.2	-174.3	-82.8	0	0	0	111.2	I132 A137 A138 S143 N144 F145 S148 V151 F156 V187 I189 F192	I132-W141 HydrophobicContact CD1-CB 3.48Å; I132-W141 VanDerWaalsContact CD1-CB 3.48Å; I132-W141 HydrophobicContact CD1-CD2 4.19Å; I132-W141 HydrophobicContact CD1-CG 3.67Å; A137-W141 PolarHBondContact O-N 3.21Å; A138-W141 PolarHBondContact O-N 3.5Å; W141-S143 VanDerWaalsContact C-N 3.26Å; W141-S143 PolarHBondContact O-N 3.45Å; W141-N144 PolarHBondContact O-N 3.09Å; W141-N144 VanDerWaalsContact O-N 3.1Å; W141-F145 AromaticContact CD2-CD2 3.65Å; W141-F145 HydrophobicContact CD2-CD2 3.65Å; W141-F145 HydrophobicContact CD2-CE2 4.33Å; W141-F145 AromaticContact CE2-CD2 3.91Å; W141-F145 AromaticContact CE3-CD2 3.72Å; W141-F145 HydrophobicContact CE3-CD2 3.72Å; W141-F145 AromaticContact CE3-CE2 3.92Å; W141-F145 HydrophobicContact CE3-CE2 3.92Å; W141-F145 HydrophobicContact CG-CD2 4.11Å; W141-F145 HydrophobicContact CH2-CD2 4.33Å; W141-F145 HydrophobicContact CZ2-CD2 4.26Å; W141-F145 HydrophobicContact CZ3-CD2 4.06Å; W141-F145 HydrophobicContact CZ3-CE2 4.11Å; W141-F145 PolarHBondContact O-N 2.73Å; W141-S148 WeakPolarHBondContact CZ2-O 3.43Å; W141-S148 PolarHBondContact NE1-O 2.87Å; W141-V151 HydrophobicContact CH2-CG2 3.99Å; W141-F156 HydrophobicContact CZ3-CD2 4.13Å; W141-F156 AromaticContact CZ3-CE2 3.99Å; W141-F156 HydrophobicContact CZ3-CE2 3.99Å; W141-V187 HydrophobicContact CH2-CG1 4.42Å; W141-V187 HydrophobicContact CZ3-CG1 4.26Å; W141-I189 HydrophobicContact CD2-CG1 4.38Å; W141-I189 HydrophobicContact CH2-CB 4.44Å; W141-I189 HydrophobicContact CZ2-CB 3.86Å; W141-I189 HydrophobicContact CZ2-CG1 4.28Å; W141-F192 HydrophobicContact CB-CD1 4.39Å; W141-F192 HydrophobicContact CB-CE1 4.02Å; W141-F192 HydrophobicContact CD2-CD1 4.1Å; W141-F192 HydrophobicContact CE3-CB 3.85Å; W141-F192 AromaticContact CE3-CD1 3.32Å; W141-F192 HydrophobicContact CE3-CD1 3.32Å; W141-F192 HydrophobicContact CE3-CD2 4.17Å; W141-F192 AromaticContact CE3-CE1 3.82Å; W141-F192 HydrophobicContact CE3-CE1 3.82Å; W141-F192 AromaticContact CE3-CG 3.51Å; W141-F192 HydrophobicContact CE3-CG 3.51Å; W141-F192 HydrophobicContact CE3-CZ 4.43Å; W141-F192 HydrophobicContact CH2-CB 4.33Å; W141-F192 HydrophobicContact CZ3-CB 3.5Å; W141-F192 VanDerWaalsContact CZ3-CB 3.5Å; W141-F192 AromaticContact CZ3-CD1 3.93Å; W141-F192 HydrophobicContact CZ3-CD1 3.93Å; W141-F192 HydrophobicContact CZ3-CD2 4.22Å; W141-F192 AromaticContact CZ3-CG 3.62Å; W141-F192 HydrophobicContact CZ3-CG 3.62Å
142	L	96.3	Very high	96	Very high	104 Å²	104	40.8 Å²	40.8	55%	0.545	23%	0.233	S	C	.	.	H	α-helix	trans	-57.9	-39.8	179.2	-175.5	66	0	0	0	112	A138 N144 G146	A138-L142 WeakPolarHBondContact O-CB 3.28Å; A138-L142 PolarHBondContact O-N 3.24Å; L142-N144 VanDerWaalsContact C-N 3.33Å; L142-N144 PolarHBondContact O-N 2.96Å; L142-G146 VanDerWaalsContact O-CA 3.31Å; L142-G146 WeakPolarHBondContact O-CA 3.47Å; L142-G146 PolarHBondContact O-N 3.09Å
143	S	97.3	Very high	96.1	Very high	101 Å²	101	41 Å²	41	71%	0.706	23%	0.234	S	C	*	.	H	α-helix	trans	-69.1	-27.2	179.4	-173.4	0	0	0	0	113.9	R139 W140 W141	R139-S143 VanDerWaalsContact O-CB 3.29Å; R139-S143 WeakPolarHBondContact O-CB 3.4Å; R139-S143 PolarHBondContact O-N 3.2Å; W140-S143 PolarHBondContact O-N 3.06Å; W141-S143 VanDerWaalsContact C-N 3.26Å; W141-S143 PolarHBondContact O-N 3.45Å
144	N	97.6	Very high	96.2	Very high	53 Å²	53	45.8 Å²	45.8	28%	0.283	26%	0.256	S	S	.	.	H	α-helix	trans	-102.3	-32.5	-175.6	-73.9	-83.4	0	0	0	112.9	W140 W141 L142 S159	W140-N144 PolarHBondContact NE1-ND2 3.08Å; W140-N144 PolarHBondContact O-N 3.27Å; W140-N144 VanDerWaalsContact O-N 3.15Å; W140-N144 PolarHBondContact O-ND2 3.32Å; W141-N144 PolarHBondContact O-N 3.09Å; W141-N144 VanDerWaalsContact O-N 3.1Å; L142-N144 VanDerWaalsContact C-N 3.33Å; L142-N144 PolarHBondContact O-N 2.96Å; N144-S159 WeakPolarHBondContact OD1-CB 3.45Å
145	F	97.1	Very high	96.4	Very high	16 Å²	16	49.1 Å²	49.1	7%	0.07	27%	0.274	C	S	.	.	H	α-helix	trans	-128.9	-0.9	-170.4	-46.3	-54.6	0	0	0	113.7	W140 W141 D147 S148 V151 L155 F156 S159	W140-F145 AromaticContact CH2-CE2 3.84Å; W140-F145 HydrophobicContact CH2-CE2 3.84Å; W140-F145 HydrophobicContact CH2-CZ 4.04Å; W140-F145 AromaticContact CZ3-CE2 3.67Å; W140-F145 HydrophobicContact CZ3-CE2 3.67Å; W140-F145 HydrophobicContact CZ3-CZ 4.34Å; W141-F145 AromaticContact CD2-CD2 3.65Å; W141-F145 HydrophobicContact CD2-CD2 3.65Å; W141-F145 HydrophobicContact CD2-CE2 4.33Å; W141-F145 AromaticContact CE2-CD2 3.91Å; W141-F145 AromaticContact CE3-CD2 3.72Å; W141-F145 HydrophobicContact CE3-CD2 3.72Å; W141-F145 AromaticContact CE3-CE2 3.92Å; W141-F145 HydrophobicContact CE3-CE2 3.92Å; W141-F145 HydrophobicContact CG-CD2 4.11Å; W141-F145 HydrophobicContact CH2-CD2 4.33Å; W141-F145 HydrophobicContact CZ2-CD2 4.26Å; W141-F145 HydrophobicContact CZ3-CD2 4.06Å; W141-F145 HydrophobicContact CZ3-CE2 4.11Å; W141-F145 PolarHBondContact O-N 2.73Å; F145-D147 PolarHBondContact O-N 3.32Å; F145-S148 VanDerWaalsContact O-CB 3.3Å; F145-S148 WeakPolarHBondContact O-CB 3.13Å; F145-S148 PolarHBondContact O-N 2.82Å; F145-S148 VanDerWaalsContact O-N 3.16Å; F145-S148 PolarHBondContact O-OG 3.4Å; F145-V151 HydrophobicContact CB-CG1 4.04Å; F145-V151 HydrophobicContact CD1-CG1 3.84Å; F145-V151 HydrophobicContact CD2-CG1 4.45Å; F145-V151 HydrophobicContact CE1-CG1 4.45Å; F145-V151 HydrophobicContact CE2-CG2 4.45Å; F145-V151 HydrophobicContact CG-CG1 3.85Å; F145-V151 HydrophobicContact CZ-CG2 4.45Å; F145-L155 HydrophobicContact CD1-CD2 4.37Å; F145-L155 HydrophobicContact CD1-CG 4.35Å; F145-L155 HydrophobicContact CE1-CG 4Å; F145-F156 AromaticContact CE2-CD2 3.92Å; F145-F156 HydrophobicContact CE2-CD2 3.92Å; F145-F156 HydrophobicContact CE2-CE2 4.4Å; F145-F156 HydrophobicContact CZ-CD2 4.04Å; F145-S159 VanDerWaalsContact CE1-OG 3.31Å; F145-S159 WeakPolarHBondContact CE1-OG 3.34Å
146	G	94.9	Very high	96.7	Very high	31 Å²	31	47.3 Å²	47.3	32%	0.32	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	-129.7	-180	0	0	0	0	0	112.3	L142 S148	L142-G146 VanDerWaalsContact O-CA 3.31Å; L142-G146 WeakPolarHBondContact O-CA 3.47Å; L142-G146 PolarHBondContact O-N 3.09Å; G146-S148 VanDerWaalsContact C-N 3.31Å
147	D	93.1	Very high	96.8	Very high	114 Å²	114	47 Å²	47	61%	0.61	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	8.5	-179.7	-68.5	-21.6	0	0	0	113.3	F145 V149	F145-D147 PolarHBondContact O-N 3.32Å; D147-V149 PolarHBondContact O-N 2.89Å
148	S	96.1	Very high	96.8	Very high	51 Å²	51	50.4 Å²	50.4	36%	0.357	28%	0.277	S	S	.	.			trans	-64.6	131.3	178.2	-67.5	0	0	0	0	111.4	W141 F145 G146	W141-S148 WeakPolarHBondContact CZ2-O 3.43Å; W141-S148 PolarHBondContact NE1-O 2.87Å; F145-S148 VanDerWaalsContact O-CB 3.3Å; F145-S148 WeakPolarHBondContact O-CB 3.13Å; F145-S148 PolarHBondContact O-N 2.82Å; F145-S148 VanDerWaalsContact O-N 3.16Å; F145-S148 PolarHBondContact O-OG 3.4Å; G146-S148 VanDerWaalsContact C-N 3.31Å
149	V	97	Very high	96.8	Very high	11 Å²	11	49.5 Å²	49.5	7%	0.067	27%	0.268	C	S	.	.	S	Bend	trans	-91.2	-14.1	176.8	-59.6	0	0	0	0	113.2	L119 F125 D147 S188 I189	L119-V149 HydrophobicContact CD1-CB 4.46Å; L119-V149 HydrophobicContact CD2-CB 4.04Å; L119-V149 HydrophobicContact CD2-CG1 4.14Å; F125-V149 HydrophobicContact CE2-CG2 4.07Å; F125-V149 HydrophobicContact CZ-CG1 4.2Å; F125-V149 HydrophobicContact CZ-CG2 3.71Å; D147-V149 PolarHBondContact O-N 2.89Å; V149-S188 CarbonylContact O-C 3.54Å; V149-S188 WeakPolarHBondContact O-CA 3.17Å; V149-I189 HydrophobicContact CB-CG2 4.13Å; V149-I189 PolarHBondContact O-N 3.49Å
150	V	97.9	Very high	96.8	Very high	6 Å²	6	42.8 Å²	42.8	4%	0.036	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	141.7	-179.7	64.3	0	0	0	0	108.7	E64 Y65 I68 Y186 V187	E64-V150 HydrophobicContact CG-CG1 4.18Å; Y65-V150 HydrophobicContact CD2-CB 4.39Å; I68-V150 HydrophobicContact CD1-CG1 3.98Å; I68-V150 HydrophobicContact CD1-CG2 4Å; V150-Y186 HydrophobicContact CG2-CD1 4.02Å; V150-Y186 HydrophobicContact CG2-CG 4.2Å; V150-V187 WeakPolarHBondContact CA-O 3.5Å
151	V	98.2	Very high	96.5	Very high	7 Å²	7	45.5 Å²	45.5	4%	0.042	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	151.9	176.2	-67.2	0	0	0	0	109.7	W141 F145 L155 F156 Y186 V187	W141-V151 HydrophobicContact CH2-CG2 3.99Å; F145-V151 HydrophobicContact CB-CG1 4.04Å; F145-V151 HydrophobicContact CD1-CG1 3.84Å; F145-V151 HydrophobicContact CD2-CG1 4.45Å; F145-V151 HydrophobicContact CE1-CG1 4.45Å; F145-V151 HydrophobicContact CE2-CG2 4.45Å; F145-V151 HydrophobicContact CG-CG1 3.85Å; F145-V151 HydrophobicContact CZ-CG2 4.45Å; V151-L155 HydrophobicContact CB-CD2 4.21Å; V151-L155 HydrophobicContact CG1-CD2 4.13Å; V151-F156 HydrophobicContact CG2-CB 3.96Å; V151-F156 HydrophobicContact CG2-CD2 4.21Å; V151-Y186 CarbonylContact O-C 3.21Å; V151-Y186 VanDerWaalsContact O-CA 3.3Å; V151-Y186 WeakPolarHBondContact O-CA 3.35Å; V151-Y186 WeakPolarHBondContact O-CB 3.48Å; V151-Y186 WeakPolarHBondContact O-CD1 3.48Å; V151-V187 HydrophobicContact CG2-CB 4.35Å; V151-V187 PolarHBondContact N-O 3.45Å; V151-V187 PolarHBondContact O-N 3.25Å
152	S	98	Very high	96.4	Very high	46 Å²	46	52.7 Å²	52.7	32%	0.322	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	149.9	173.7	68.1	0	0	0	0	110.8	Q154 L155 F156	S152-Q154 PolarHBondContact O-N 3.43Å; S152-L155 PolarHBondContact O-N 3.07Å; S152-L155 VanDerWaalsContact O-N 3.13Å; S152-L155 WeakPolarHBondContact OG-CB 3.4Å; S152-L155 PolarHBondContact OG-N 3.47Å; S152-F156 PolarHBondContact O-N 2.87Å
153	W	97.4	Very high	96.2	Very high	21 Å²	21	50.7 Å²	50.7	8%	0.08	28%	0.284	C	S	.	.	H	α-helix	trans	-55.2	-38.9	176.3	172.3	-112.3	0	0	0	111.7	L155 F156 K157 L175 Q176 I179 D185 V187	W153-L155 PolarHBondContact O-N 3.3Å; W153-F156 HydrophobicContact CE3-CD1 4.03Å; W153-F156 HydrophobicContact CH2-CD1 4.43Å; W153-F156 AromaticContact CZ3-CD1 3.7Å; W153-F156 HydrophobicContact CZ3-CD1 3.7Å; W153-F156 HydrophobicContact CZ3-CE1 4.07Å; W153-F156 PolarHBondContact O-N 3.11Å; W153-K157 HydrophobicContact CZ2-CB 4.49Å; W153-K157 WeakPolarHBondContact O-CB 3.49Å; W153-K157 PolarHBondContact O-N 2.97Å; W153-L175 HydrophobicContact CH2-CG 4.49Å; W153-Q176 VanDerWaalsContact CD1-CD 3.45Å; W153-Q176 HydrophobicContact CD2-CB 4.06Å; W153-Q176 HydrophobicContact CD2-CG 3.55Å; W153-Q176 HydrophobicContact CE3-CB 4.3Å; W153-Q176 HydrophobicContact CE3-CG 3.86Å; W153-Q176 HydrophobicContact CG-CG 4Å; W153-Q176 HydrophobicContact CH2-CB 3.67Å; W153-Q176 HydrophobicContact CH2-CG 4.17Å; W153-Q176 HydrophobicContact CZ2-CB 3.35Å; W153-Q176 HydrophobicContact CZ2-CG 3.86Å; W153-Q176 HydrophobicContact CZ3-CB 4.12Å; W153-Q176 HydrophobicContact CZ3-CG 4.15Å; W153-Q176 VanDerWaalsContact NE1-OE1 3.16Å; W153-I179 HydrophobicContact CZ3-CB 4.35Å; W153-I179 HydrophobicContact CZ3-CD1 4.26Å; W153-D185 VanDerWaalsContact CB-O 3.23Å; W153-D185 WeakPolarHBondContact CB-O 3.38Å; W153-D185 PolarHBondContact N-O 2.85Å; W153-V187 HydrophobicContact CE3-CG2 3.74Å; W153-V187 HydrophobicContact CZ3-CG2 4.19Å
154	Q	96.5	Very high	96	Very high	100 Å²	100	47 Å²	47	47%	0.467	26%	0.256	S	S	.	.	H	α-helix	trans	-62.1	-45.7	178.8	-174.9	54.5	50.3	0	0	111.8	S152 K157 D158	S152-Q154 PolarHBondContact O-N 3.43Å; Q154-K157 PolarHBondContact O-N 3.37Å; Q154-D158 VanDerWaalsContact NE2-CG 3.32Å; Q154-D158 PolarHBondContact NE2-OD1 3.28Å; Q154-D158 PolarHBondContact NE2-OD2 2.94Å; Q154-D158 PolarHBondContact O-N 2.92Å; Q154-D158 VanDerWaalsContact O-N 3.09Å
155	L	97.4	Very high	95.5	Very high	84 Å²	84	51.4 Å²	51.4	44%	0.44	27%	0.268	S	S	.	.	H	α-helix	trans	-65.5	-42.1	176.5	-179.8	60.5	0	0	0	111.6	F145 V151 S152 W153 D158 S159	F145-L155 HydrophobicContact CD1-CD2 4.37Å; F145-L155 HydrophobicContact CD1-CG 4.35Å; F145-L155 HydrophobicContact CE1-CG 4Å; V151-L155 HydrophobicContact CB-CD2 4.21Å; V151-L155 HydrophobicContact CG1-CD2 4.13Å; S152-L155 PolarHBondContact O-N 3.07Å; S152-L155 VanDerWaalsContact O-N 3.13Å; S152-L155 WeakPolarHBondContact OG-CB 3.4Å; S152-L155 PolarHBondContact OG-N 3.47Å; W153-L155 PolarHBondContact O-N 3.3Å; L155-D158 PolarHBondContact O-N 3.4Å; L155-S159 PolarHBondContact O-N 3.08Å; L155-S159 PolarHBondContact O-OG 2.97Å
156	F	97.9	Very high	95	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-61	-47.3	176.7	-177.3	-92.2	0	0	0	112.1	W140 W141 F145 V151 S152 W153 D158 S159 L160 I179 V187 F192	W140-F156 HydrophobicContact CH2-CD2 4.33Å; W140-F156 AromaticContact CH2-CE2 3.9Å; W140-F156 HydrophobicContact CH2-CE2 3.9Å; W140-F156 HydrophobicContact CH2-CZ 4.27Å; W140-F156 HydrophobicContact CZ3-CD2 4.45Å; W140-F156 AromaticContact CZ3-CE2 3.79Å; W140-F156 HydrophobicContact CZ3-CE2 3.79Å; W140-F156 HydrophobicContact CZ3-CZ 4.35Å; W141-F156 HydrophobicContact CZ3-CD2 4.13Å; W141-F156 AromaticContact CZ3-CE2 3.99Å; W141-F156 HydrophobicContact CZ3-CE2 3.99Å; F145-F156 AromaticContact CE2-CD2 3.92Å; F145-F156 HydrophobicContact CE2-CD2 3.92Å; F145-F156 HydrophobicContact CE2-CE2 4.4Å; F145-F156 HydrophobicContact CZ-CD2 4.04Å; V151-F156 HydrophobicContact CG2-CB 3.96Å; V151-F156 HydrophobicContact CG2-CD2 4.21Å; S152-F156 PolarHBondContact O-N 2.87Å; W153-F156 HydrophobicContact CE3-CD1 4.03Å; W153-F156 HydrophobicContact CH2-CD1 4.43Å; W153-F156 AromaticContact CZ3-CD1 3.7Å; W153-F156 HydrophobicContact CZ3-CD1 3.7Å; W153-F156 HydrophobicContact CZ3-CE1 4.07Å; W153-F156 PolarHBondContact O-N 3.11Å; F156-D158 VanDerWaalsContact C-N 3.35Å; F156-D158 PolarHBondContact O-N 3.48Å; F156-S159 PolarHBondContact O-N 2.92Å; F156-L160 HydrophobicContact CE1-CB 4.49Å; F156-L160 HydrophobicContact CE1-CD1 4.38Å; F156-L160 HydrophobicContact CE1-CD2 4.14Å; F156-L160 HydrophobicContact CZ-CD1 4.41Å; F156-L160 WeakPolarHBondContact O-CB 3.38Å; F156-L160 PolarHBondContact O-N 2.77Å; F156-I179 HydrophobicContact CE1-CD1 3.65Å; F156-I179 HydrophobicContact CE1-CG2 4.49Å; F156-I179 HydrophobicContact CZ-CD1 4.07Å; F156-V187 HydrophobicContact CB-CB 4.44Å; F156-V187 HydrophobicContact CB-CG2 4.08Å; F156-V187 HydrophobicContact CD1-CG2 4.02Å; F156-V187 HydrophobicContact CD2-CB 4.06Å; F156-V187 HydrophobicContact CD2-CG1 3.97Å; F156-V187 HydrophobicContact CD2-CG2 4.2Å; F156-V187 HydrophobicContact CE2-CG1 3.98Å; F156-V187 HydrophobicContact CG-CB 4.16Å; F156-V187 HydrophobicContact CG-CG1 4.43Å; F156-V187 HydrophobicContact CG-CG2 3.83Å; F156-V187 HydrophobicContact CZ-CG1 4.45Å; F156-F192 AromaticContact CE2-CD2 3.59Å; F156-F192 HydrophobicContact CE2-CD2 3.59Å; F156-F192 AromaticContact CE2-CE2 3.94Å; F156-F192 HydrophobicContact CE2-CE2 3.94Å; F156-F192 HydrophobicContact CE2-CG 4.38Å; F156-F192 AromaticContact CZ-CD2 3.71Å; F156-F192 HydrophobicContact CZ-CD2 3.71Å; F156-F192 AromaticContact CZ-CE2 3.95Å; F156-F192 HydrophobicContact CZ-CE2 3.95Å
157	K	95.9	Very high	94.2	Very high	43 Å²	43	55 Å²	55	19%	0.187	28%	0.281	C	S	.	.	H	α-helix	trans	-56.3	-46.9	177.9	171.6	-178.2	172	178.8	0	111.5	W153 Q154 S159 L160 I161 L172	W153-K157 HydrophobicContact CZ2-CB 4.49Å; W153-K157 WeakPolarHBondContact O-CB 3.49Å; W153-K157 PolarHBondContact O-N 2.97Å; Q154-K157 PolarHBondContact O-N 3.37Å; K157-S159 PolarHBondContact O-N 3.42Å; K157-L160 PolarHBondContact O-N 3.22Å; K157-I161 HydrophobicContact CD-CD1 4.4Å; K157-I161 HydrophobicContact CG-CD1 3.7Å; K157-I161 HydrophobicContact CG-CG1 4.48Å; K157-I161 WeakPolarHBondContact O-CG1 3.46Å; K157-I161 PolarHBondContact O-N 2.63Å; K157-L172 HydrophobicContact CD-CD2 4.47Å; K157-L172 HydrophobicContact CG-CD2 4.14Å
158	D	95.8	Very high	93.8	Very high	72 Å²	72	51.5 Å²	51.5	39%	0.385	27%	0.265	S	S	.	.	H	α-helix	trans	-63.5	-43.4	-177.2	-68.3	-23.9	0	0	0	111.5	Q154 L155 F156 L160 Q162	Q154-D158 VanDerWaalsContact NE2-CG 3.32Å; Q154-D158 PolarHBondContact NE2-OD1 3.28Å; Q154-D158 PolarHBondContact NE2-OD2 2.94Å; Q154-D158 PolarHBondContact O-N 2.92Å; Q154-D158 VanDerWaalsContact O-N 3.09Å; L155-D158 PolarHBondContact O-N 3.4Å; F156-D158 VanDerWaalsContact C-N 3.35Å; F156-D158 PolarHBondContact O-N 3.48Å; D158-L160 VanDerWaalsContact C-N 3.34Å; D158-L160 PolarHBondContact O-N 3.38Å; D158-Q162 WeakPolarHBondContact O-CG 3.36Å; D158-Q162 PolarHBondContact O-N 2.93Å
159	S	97	Very high	93.3	Very high	12 Å²	12	55 Å²	55	8%	0.084	28%	0.28	C	S	.	.	H	α-helix	trans	-65.7	-35.9	173.8	-59.8	0	0	0	0	112.7	N144 F145 L155 F156 K157 Q162 T163	N144-S159 WeakPolarHBondContact OD1-CB 3.45Å; F145-S159 VanDerWaalsContact CE1-OG 3.31Å; F145-S159 WeakPolarHBondContact CE1-OG 3.34Å; L155-S159 PolarHBondContact O-N 3.08Å; L155-S159 PolarHBondContact O-OG 2.97Å; F156-S159 PolarHBondContact O-N 2.92Å; K157-S159 PolarHBondContact O-N 3.42Å; S159-Q162 PolarHBondContact O-N 3.08Å; S159-T163 PolarHBondContact O-N 3.17Å; S159-T163 PolarHBondContact O-OG1 3.5Å
160	L	94.6	Very high	92.8	Very high	3 Å²	3	58.2 Å²	58.2	2%	0.016	30%	0.299	C	S	.	.	H	α-helix	trans	-68.3	-44.7	-179.1	-166.8	76.6	0	0	0	112	W140 F156 K157 D158 Q162 T163 F164 I166 L175	W140-L160 HydrophobicContact CH2-CD1 4.2Å; W140-L160 HydrophobicContact CZ2-CD1 4.19Å; F156-L160 HydrophobicContact CE1-CB 4.49Å; F156-L160 HydrophobicContact CE1-CD1 4.38Å; F156-L160 HydrophobicContact CE1-CD2 4.14Å; F156-L160 HydrophobicContact CZ-CD1 4.41Å; F156-L160 WeakPolarHBondContact O-CB 3.38Å; F156-L160 PolarHBondContact O-N 2.77Å; K157-L160 PolarHBondContact O-N 3.22Å; D158-L160 VanDerWaalsContact C-N 3.34Å; D158-L160 PolarHBondContact O-N 3.38Å; L160-Q162 VanDerWaalsContact C-N 3.26Å; L160-Q162 PolarHBondContact O-N 3.45Å; L160-T163 PolarHBondContact O-N 2.89Å; L160-F164 HydrophobicContact CD1-CD2 3.66Å; L160-F164 HydrophobicContact CD1-CE2 3.96Å; L160-F164 HydrophobicContact CG-CD2 4.21Å; L160-F164 PolarHBondContact O-N 3.1Å; L160-I166 HydrophobicContact CD2-CD1 3.95Å; L160-I166 HydrophobicContact CG-CD1 4.35Å; L160-L175 HydrophobicContact CD2-CD2 3.41Å; L160-L175 VanDerWaalsContact CD2-CD2 3.41Å
161	I	93.5	Very high	92.2	Very high	76 Å²	76	58.3 Å²	58.3	39%	0.39	30%	0.299	S	S	.	.	H	α-helix	trans	-65.3	-30.3	178.6	-67.1	165.5	0	0	0	111.6	K157 T163 I166 L172	K157-I161 HydrophobicContact CD-CD1 4.4Å; K157-I161 HydrophobicContact CG-CD1 3.7Å; K157-I161 HydrophobicContact CG-CG1 4.48Å; K157-I161 WeakPolarHBondContact O-CG1 3.46Å; K157-I161 PolarHBondContact O-N 2.63Å; I161-T163 PolarHBondContact O-N 2.72Å; I161-I166 HydrophobicContact CG1-CD1 3.97Å; I161-L172 HydrophobicContact CD1-CD1 4.08Å; I161-L172 HydrophobicContact CD1-CD2 4.1Å; I161-L172 HydrophobicContact CG1-CD2 4.21Å
162	Q	94.1	Very high	91.8	Very high	156 Å²	156	58.5 Å²	58.5	73%	0.729	30%	0.3	S	S	*	.	H	α-helix	trans	-67.8	-24.7	172.8	-70.5	174.6	24.6	0	0	112.7	D158 S159 L160	D158-Q162 WeakPolarHBondContact O-CG 3.36Å; D158-Q162 PolarHBondContact O-N 2.93Å; S159-Q162 PolarHBondContact O-N 3.08Å; L160-Q162 VanDerWaalsContact C-N 3.26Å; L160-Q162 PolarHBondContact O-N 3.45Å
163	T	93.7	Very high	91.4	Very high	61 Å²	61	59.5 Å²	59.5	37%	0.374	30%	0.301	S	S	.	.	H	α-helix	trans	-98.1	-41.8	-174.5	-54.8	0	0	0	0	112.5	W140 S159 L160 I161	W140-T163 PolarHBondContact NE1-OG1 3.48Å; S159-T163 PolarHBondContact O-N 3.17Å; S159-T163 PolarHBondContact O-OG1 3.5Å; L160-T163 PolarHBondContact O-N 2.89Å; I161-T163 PolarHBondContact O-N 2.72Å
164	F	92.7	Very high	91	Very high	25 Å²	25	58.8 Å²	58.8	11%	0.11	30%	0.3	C	S	.	.	S	Bend	trans	-123.3	147.7	-174.3	-60.3	-78.6	0	0	0	111.2	L160 W202 I205 L206	L160-F164 HydrophobicContact CD1-CD2 3.66Å; L160-F164 HydrophobicContact CD1-CE2 3.96Å; L160-F164 HydrophobicContact CG-CD2 4.21Å; L160-F164 PolarHBondContact O-N 3.1Å; F164-W202 AromaticContact CE2-CH2 3.77Å; F164-W202 HydrophobicContact CE2-CH2 3.77Å; F164-W202 AromaticContact CE2-CZ2 3.64Å; F164-W202 HydrophobicContact CE2-CZ2 3.64Å; F164-W202 HydrophobicContact CE2-CZ3 4.47Å; F164-W202 HydrophobicContact CZ-CD2 4.21Å; F164-W202 AromaticContact CZ-CE2 3.68Å; F164-W202 AromaticContact CZ-CH2 3.96Å; F164-W202 HydrophobicContact CZ-CH2 3.96Å; F164-W202 AromaticContact CZ-CZ2 3.55Å; F164-W202 HydrophobicContact CZ-CZ2 3.55Å; F164-W202 HydrophobicContact CZ-CZ3 4.43Å; F164-I205 HydrophobicContact CD1-CG2 4.44Å; F164-I205 HydrophobicContact CE1-CG2 3.79Å; F164-I205 HydrophobicContact CE2-CG2 4.13Å; F164-I205 HydrophobicContact CZ-CG2 3.59Å; F164-L206 HydrophobicContact CB-CD1 3.45Å; F164-L206 VanDerWaalsContact CB-CD1 3.45Å; F164-L206 HydrophobicContact CB-CG 4.16Å; F164-L206 HydrophobicContact CD2-CD1 4.44Å; F164-L206 HydrophobicContact CG-CD1 4Å; F164-L206 HydrophobicContact CG-CG 4.2Å
165	R	87.3	Confident	90.8	Very high	144 Å²	144	54 Å²	54	54%	0.543	28%	0.278	S	S	.	.			trans	-75.1	129	172.5	-65.7	-173.2	177	-178.6	0.5	109.6	S528	R165-S528 PolarHBondContact NH2-OG 3.29Å
166	I	85.7	Confident	90.6	Very high	35 Å²	35	50.9 Å²	50.9	18%	0.179	26%	0.261	C	S	.	.			trans	-128	127.9	176.7	-56.1	-178.8	0	0	0	107.8	L160 I161 Q171 L172 L175 L206	L160-I166 HydrophobicContact CD2-CD1 3.95Å; L160-I166 HydrophobicContact CG-CD1 4.35Å; I161-I166 HydrophobicContact CG1-CD1 3.97Å; I166-Q171 HydrophobicContact CG2-CB 4.18Å; I166-Q171 HydrophobicContact CG2-CG 4.09Å; I166-L172 HydrophobicContact CD1-CD2 3.61Å; I166-L172 HydrophobicContact CG2-CD2 3.98Å; I166-L172 HydrophobicContact CG2-CG 3.79Å; I166-L175 HydrophobicContact CD1-CD2 4.39Å; I166-L206 HydrophobicContact CD1-CD1 3.97Å; I166-L206 HydrophobicContact CG1-CD1 3.71Å
167	D	79.3	Confident	90.2	Very high	89 Å²	89	51.2 Å²	51.2	48%	0.476	26%	0.263	S	S	.	.			trans	-82.9	-26.7	-165	-56.4	-39.4	0	0	0	112.8	K210	D167-K210 IonicContact OD2-NZ 2.77Å; D167-K210 PolarHBondContact OD2-NZ 2.9Å
168	S	83.7	Confident	90.1	Very high	40 Å²	40	49.9 Å²	49.9	28%	0.28	26%	0.259	S	S	.	.			trans	-159.3	158.9	-172	63.8	0	0	0	0	114.5	T170 Q171 L172	S168-T170 VanDerWaalsContact C-N 3.29Å; S168-T170 PolarHBondContact O-N 3.41Å; S168-Q171 WeakPolarHBondContact O-CB 3.22Å; S168-Q171 PolarHBondContact O-N 3.42Å; S168-Q171 WeakPolarHBondContact OG-CB 3.3Å; S168-Q171 PolarHBondContact OG-N 3Å; S168-L172 PolarHBondContact O-N 3.45Å; S168-L172 VanDerWaalsContact O-N 3.14Å
169	D	86.6	Confident	90.1	Very high	124 Å²	124	46.5 Å²	46.5	66%	0.663	24%	0.24	S	C	*	.	H	α-helix	trans	-65	-30.7	172.4	-73.8	-35.6	0	0	0	113	Q171 L172 L173	D169-Q171 VanDerWaalsContact C-N 3.32Å; D169-Q171 PolarHBondContact O-N 2.87Å; D169-L172 WeakPolarHBondContact O-CB 3.32Å; D169-L172 PolarHBondContact O-N 2.79Å; D169-L173 PolarHBondContact O-N 3.18Å
170	T	84.7	Confident	90	Very high	79 Å²	79	46 Å²	46	49%	0.485	24%	0.237	S	C	.	.	H	α-helix	trans	-64.6	-39.3	173.7	-49.7	0	0	0	0	111.2	S168 L172 L173 A174 Y551	S168-T170 VanDerWaalsContact C-N 3.29Å; S168-T170 PolarHBondContact O-N 3.41Å; T170-L172 VanDerWaalsContact C-N 3.33Å; T170-L173 PolarHBondContact O-N 3.39Å; T170-A174 PolarHBondContact O-N 3.4Å; T170-Y551 HydrophobicContact CG2-CD2 3.55Å; T170-Y551 HydrophobicContact CG2-CE2 3.48Å; T170-Y551 VanDerWaalsContact CG2-CE2 3.48Å; T170-Y551 HydrophobicContact CG2-CG 4.18Å
171	Q	86.5	Confident	89.9	Confident	7 Å²	7	46.7 Å²	46.7	3%	0.033	24%	0.24	C	C	.	.	H	α-helix	trans	-63.8	-39.9	173.4	-172.7	-177.5	8	0	0	111.3	I166 S168 D169 A174 L175 W209	I166-Q171 HydrophobicContact CG2-CB 4.18Å; I166-Q171 HydrophobicContact CG2-CG 4.09Å; S168-Q171 WeakPolarHBondContact O-CB 3.22Å; S168-Q171 PolarHBondContact O-N 3.42Å; S168-Q171 WeakPolarHBondContact OG-CB 3.3Å; S168-Q171 PolarHBondContact OG-N 3Å; D169-Q171 VanDerWaalsContact C-N 3.32Å; D169-Q171 PolarHBondContact O-N 2.87Å; Q171-A174 PolarHBondContact O-N 2.91Å; Q171-L175 VanDerWaalsContact O-CB 3.28Å; Q171-L175 WeakPolarHBondContact O-CB 3.34Å; Q171-L175 PolarHBondContact O-N 3.23Å; Q171-W209 HydrophobicContact CG-CH2 3.82Å; Q171-W209 HydrophobicContact CG-CZ3 3.58Å; Q171-W209 WeakPolarHBondContact O-CH2 3.5Å
172	L	89.7	Confident	90	Very high	12 Å²	12	43 Å²	43	6%	0.063	22%	0.222	C	C	.	.	H	α-helix	trans	-62.2	-43.9	175.5	-75.8	163.3	0	0	0	112.4	K157 I161 I166 S168 D169 T170 L175 Q176	K157-L172 HydrophobicContact CD-CD2 4.47Å; K157-L172 HydrophobicContact CG-CD2 4.14Å; I161-L172 HydrophobicContact CD1-CD1 4.08Å; I161-L172 HydrophobicContact CD1-CD2 4.1Å; I161-L172 HydrophobicContact CG1-CD2 4.21Å; I166-L172 HydrophobicContact CD1-CD2 3.61Å; I166-L172 HydrophobicContact CG2-CD2 3.98Å; I166-L172 HydrophobicContact CG2-CG 3.79Å; S168-L172 PolarHBondContact O-N 3.45Å; S168-L172 VanDerWaalsContact O-N 3.14Å; D169-L172 WeakPolarHBondContact O-CB 3.32Å; D169-L172 PolarHBondContact O-N 2.79Å; T170-L172 VanDerWaalsContact C-N 3.33Å; L172-L175 PolarHBondContact O-N 3.13Å; L172-Q176 PolarHBondContact O-N 3.21Å
173	L	89.3	Confident	90	Very high	66 Å²	66	36.1 Å²	36.1	35%	0.346	19%	0.19	S	C	.	.	H	α-helix	trans	-62.7	-45.3	177.4	-179.2	62.9	0	0	0	111.4	D169 T170 L175 Q176 T177	D169-L173 PolarHBondContact O-N 3.18Å; T170-L173 PolarHBondContact O-N 3.39Å; L173-L175 VanDerWaalsContact C-N 3.27Å; L173-L175 PolarHBondContact O-N 3.09Å; L173-Q176 WeakPolarHBondContact O-CB 3.42Å; L173-Q176 PolarHBondContact O-N 3.5Å; L173-T177 WeakPolarHBondContact O-CG2 3.48Å; L173-T177 PolarHBondContact O-N 2.92Å; L173-T177 VanDerWaalsContact O-N 3.09Å
174	A	88.6	Confident	90.1	Very high	6 Å²	6	34.2 Å²	34.2	5%	0.05	18%	0.178	C	C	.	.	H	α-helix	trans	-66	-31.7	176.8	0	0	0	0	0	113.1	T170 Q171 T177 T178 W209 I214 Y551 L554	T170-A174 PolarHBondContact O-N 3.4Å; Q171-A174 PolarHBondContact O-N 2.91Å; A174-T177 PolarHBondContact O-OG1 3.04Å; A174-T177 VanDerWaalsContact O-OG1 3.11Å; A174-T178 PolarHBondContact O-N 3.21Å; A174-T178 PolarHBondContact O-OG1 3.11Å; A174-W209 HydrophobicContact CB-CH2 4.17Å; A174-W209 HydrophobicContact CB-CZ2 4.07Å; A174-I214 HydrophobicContact CB-CD1 4.41Å; A174-Y551 HydrophobicContact CB-CD1 3.2Å; A174-Y551 HydrophobicContact CB-CE1 3.53Å; A174-Y551 HydrophobicContact CB-CG 4.2Å; A174-L554 HydrophobicContact CB-CD1 4.33Å
175	L	92.2	Very high	90.3	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-69.8	-41.5	174.5	-173.4	61	0	0	0	110.7	W153 L160 I166 Q171 L172 L173 T177 T178 I179 F195 L206 W209	W153-L175 HydrophobicContact CH2-CG 4.49Å; L160-L175 HydrophobicContact CD2-CD2 3.41Å; L160-L175 VanDerWaalsContact CD2-CD2 3.41Å; I166-L175 HydrophobicContact CD1-CD2 4.39Å; Q171-L175 VanDerWaalsContact O-CB 3.28Å; Q171-L175 WeakPolarHBondContact O-CB 3.34Å; Q171-L175 PolarHBondContact O-N 3.23Å; L172-L175 PolarHBondContact O-N 3.13Å; L173-L175 VanDerWaalsContact C-N 3.27Å; L173-L175 PolarHBondContact O-N 3.09Å; L175-T177 VanDerWaalsContact C-N 3.35Å; L175-T177 PolarHBondContact O-N 3.44Å; L175-T178 WeakPolarHBondContact O-CB 3.24Å; L175-T178 PolarHBondContact O-N 3.12Å; L175-I179 HydrophobicContact CD1-CD1 3.85Å; L175-I179 HydrophobicContact CD1-CG1 4.19Å; L175-I179 HydrophobicContact CD2-CD1 4.35Å; L175-I179 HydrophobicContact CG-CD1 3.75Å; L175-I179 HydrophobicContact CG-CG1 4.38Å; L175-I179 WeakPolarHBondContact O-CG1 3.28Å; L175-I179 PolarHBondContact O-N 3.39Å; L175-F195 HydrophobicContact CD1-CE2 3.76Å; L175-F195 HydrophobicContact CD1-CZ 3.67Å; L175-L206 HydrophobicContact CD1-CD2 4.14Å; L175-L206 HydrophobicContact CD2-CD2 3.9Å; L175-W209 HydrophobicContact CB-CH2 3.84Å; L175-W209 HydrophobicContact CB-CZ2 3.99Å; L175-W209 HydrophobicContact CB-CZ3 4.36Å; L175-W209 HydrophobicContact CD1-CD2 3.83Å; L175-W209 HydrophobicContact CD1-CE3 4.06Å; L175-W209 HydrophobicContact CD1-CG 4.31Å; L175-W209 HydrophobicContact CD1-CH2 4.25Å; L175-W209 HydrophobicContact CD1-CZ2 4.04Å; L175-W209 HydrophobicContact CD1-CZ3 4.26Å
176	Q	94.6	Very high	90.9	Very high	18 Å²	18	34.2 Å²	34.2	8%	0.084	19%	0.185	C	C	.	.	H	α-helix	trans	-53.5	-53.4	172.9	-171.2	176.5	-3.7	0	0	110.5	W153 L172 L173 T178 I179 D180 D185	W153-Q176 VanDerWaalsContact CD1-CD 3.45Å; W153-Q176 HydrophobicContact CD2-CB 4.06Å; W153-Q176 HydrophobicContact CD2-CG 3.55Å; W153-Q176 HydrophobicContact CE3-CB 4.3Å; W153-Q176 HydrophobicContact CE3-CG 3.86Å; W153-Q176 HydrophobicContact CG-CG 4Å; W153-Q176 HydrophobicContact CH2-CB 3.67Å; W153-Q176 HydrophobicContact CH2-CG 4.17Å; W153-Q176 HydrophobicContact CZ2-CB 3.35Å; W153-Q176 HydrophobicContact CZ2-CG 3.86Å; W153-Q176 HydrophobicContact CZ3-CB 4.12Å; W153-Q176 HydrophobicContact CZ3-CG 4.15Å; W153-Q176 VanDerWaalsContact NE1-OE1 3.16Å; L172-Q176 PolarHBondContact O-N 3.21Å; L173-Q176 WeakPolarHBondContact O-CB 3.42Å; L173-Q176 PolarHBondContact O-N 3.5Å; Q176-T178 PolarHBondContact O-N 2.84Å; Q176-T178 VanDerWaalsContact O-N 3.09Å; Q176-I179 PolarHBondContact O-N 2.96Å; Q176-I179 VanDerWaalsContact O-N 3.08Å; Q176-D180 HydrophobicContact CG-CB 4.31Å; Q176-D180 WeakPolarHBondContact O-CB 3.46Å; Q176-D180 PolarHBondContact O-N 3.01Å; Q176-D185 PolarHBondContact NE2-OD1 2.56Å
177	T	89.7	Confident	91.5	Very high	7 Å²	7	32.6 Å²	32.6	4%	0.043	18%	0.176	C	C	.	.	H	α-helix	trans	-68.1	-12.4	-178.3	67.2	0	0	0	0	113.7	L173 A174 L175 L554 L556	L173-T177 WeakPolarHBondContact O-CG2 3.48Å; L173-T177 PolarHBondContact O-N 2.92Å; L173-T177 VanDerWaalsContact O-N 3.09Å; A174-T177 PolarHBondContact O-OG1 3.04Å; A174-T177 VanDerWaalsContact O-OG1 3.11Å; L175-T177 VanDerWaalsContact C-N 3.35Å; L175-T177 PolarHBondContact O-N 3.44Å; T177-L554 WeakPolarHBondContact CB-O 3.41Å; T177-L554 PolarHBondContact OG1-O 2.91Å; T177-L556 HydrophobicContact CG2-CB 4.36Å; T177-L556 WeakPolarHBondContact O-CD1 3.19Å
178	T	92.7	Very high	92.4	Very high	15 Å²	15	28.4 Å²	28.4	9%	0.092	15%	0.154	C	C	.	.	H	α-helix	trans	-87.1	-37.3	171.3	-53.2	0	0	0	0	112.4	A174 L175 Q176 F195 F199 W209	A174-T178 PolarHBondContact O-N 3.21Å; A174-T178 PolarHBondContact O-OG1 3.11Å; L175-T178 WeakPolarHBondContact O-CB 3.24Å; L175-T178 PolarHBondContact O-N 3.12Å; Q176-T178 PolarHBondContact O-N 2.84Å; Q176-T178 VanDerWaalsContact O-N 3.09Å; T178-F195 HydrophobicContact CG2-CD2 4.17Å; T178-F195 HydrophobicContact CG2-CE2 4.13Å; T178-F199 HydrophobicContact CG2-CE2 3.59Å; T178-F199 HydrophobicContact CG2-CZ 3.86Å; T178-W209 PolarHBondContact OG1-NE1 3.03Å
179	I	95.3	Very high	93	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-86.2	-48.3	-175.3	-64.3	176.2	0	0	0	111.3	W153 F156 L175 Q176 I181 V187 F195	W153-I179 HydrophobicContact CZ3-CB 4.35Å; W153-I179 HydrophobicContact CZ3-CD1 4.26Å; F156-I179 HydrophobicContact CE1-CD1 3.65Å; F156-I179 HydrophobicContact CE1-CG2 4.49Å; F156-I179 HydrophobicContact CZ-CD1 4.07Å; L175-I179 HydrophobicContact CD1-CD1 3.85Å; L175-I179 HydrophobicContact CD1-CG1 4.19Å; L175-I179 HydrophobicContact CD2-CD1 4.35Å; L175-I179 HydrophobicContact CG-CD1 3.75Å; L175-I179 HydrophobicContact CG-CG1 4.38Å; L175-I179 WeakPolarHBondContact O-CG1 3.28Å; L175-I179 PolarHBondContact O-N 3.39Å; Q176-I179 PolarHBondContact O-N 2.96Å; Q176-I179 VanDerWaalsContact O-N 3.08Å; I179-I181 VanDerWaalsContact C-N 3.26Å; I179-I181 PolarHBondContact O-N 3.08Å; I179-V187 HydrophobicContact CG2-CB 4.42Å; I179-V187 HydrophobicContact CG2-CG1 3.67Å; I179-V187 HydrophobicContact CG2-CG2 3.85Å; I179-F195 HydrophobicContact CD1-CD1 4.21Å; I179-F195 HydrophobicContact CD1-CD2 4.22Å; I179-F195 HydrophobicContact CD1-CE1 4.17Å; I179-F195 HydrophobicContact CD1-CE2 4.18Å; I179-F195 HydrophobicContact CD1-CG 4.25Å; I179-F195 HydrophobicContact CD1-CZ 4.17Å; I179-F195 HydrophobicContact CG1-CB 4.28Å; I179-F195 HydrophobicContact CG1-CD1 4.19Å; I179-F195 HydrophobicContact CG1-CD2 3.46Å; I179-F195 VanDerWaalsContact CG1-CD2 3.46Å; I179-F195 HydrophobicContact CG1-CE1 4.43Å; I179-F195 HydrophobicContact CG1-CE2 3.74Å; I179-F195 HydrophobicContact CG1-CG 3.72Å; I179-F195 HydrophobicContact CG1-CZ 4.24Å
180	D	95.3	Very high	93.5	Very high	1 Å²	1	22 Å²	22	1%	0.005	12%	0.116	C	C	.	.			trans	-77.7	74.4	-179.9	178.8	10.9	0	0	0	110	Q176 T182 C183 N184 D185	Q176-D180 HydrophobicContact CG-CB 4.31Å; Q176-D180 WeakPolarHBondContact O-CB 3.46Å; Q176-D180 PolarHBondContact O-N 3.01Å; D180-T182 VanDerWaalsContact C-N 3.27Å; D180-C183 PolarHBondContact O-N 3.41Å; D180-C183 WeakPolarHBondContact OD1-CA 3.48Å; D180-C183 PolarHBondContact OD1-N 3.27Å; D180-C183 WeakPolarHBondContact OD2-CA 3.49Å; D180-N184 PolarHBondContact OD1-N 3.09Å; D180-N184 PolarHBondContact OD2-N 3.33Å; D180-N184 VanDerWaalsContact OD2-N 3.12Å; D180-D185 PolarHBondContact OD2-N 3.26Å
181	I	93.5	Very high	94.1	Very high	17 Å²	17	18.3 Å²	18.3	9%	0.087	9%	0.093	C	C	.	.	S	Bend	trans	-74.8	-18.5	-179.1	57.9	170	0	0	0	112.2	H111 I179 F190 E191 V194	H111-I181 HydrophobicContact CB-CB 4.44Å; H111-I181 HydrophobicContact CB-CD1 4.09Å; H111-I181 HydrophobicContact CB-CG1 4.24Å; H111-I181 PolarHBondContact CD2-O 3.37Å; I179-I181 VanDerWaalsContact C-N 3.26Å; I179-I181 PolarHBondContact O-N 3.08Å; I181-F190 HydrophobicContact CD1-CE1 4.24Å; I181-E191 HydrophobicContact CD1-CG 4.15Å; I181-E191 HydrophobicContact CG1-CB 4.4Å; I181-E191 HydrophobicContact CG1-CG 3.68Å; I181-E191 WeakPolarHBondContact CG1-OE1 3.31Å; I181-E191 PolarHBondContact N-OE1 3.33Å; I181-E191 VanDerWaalsContact N-OE1 3.08Å; I181-V194 HydrophobicContact CD1-CG1 4.45Å
182	T	94.9	Very high	94.7	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	-86	-12	172.6	61.2	0	0	0	0	113.2	K76 L112 D115 D180 N184 E191	K76-T182 WeakPolarHBondContact CE-O 3.43Å; L112-T182 HydrophobicContact CD2-CG2 3.81Å; L112-T182 HydrophobicContact CG-CG2 4.29Å; D115-T182 HydrophobicContact CB-CG2 4.46Å; D180-T182 VanDerWaalsContact C-N 3.27Å; T182-N184 VanDerWaalsContact OG1-CG 3.29Å; T182-N184 PolarHBondContact OG1-ND2 2.76Å; T182-N184 PolarHBondContact OG1-OD1 3.26Å; T182-E191 WeakPolarHBondContact CB-OE1 3.4Å; T182-E191 WeakPolarHBondContact CG2-OE1 3.14Å; T182-E191 PolarHBondContact N-OE1 3.02Å; T182-E191 PolarHBondContact OG1-OE1 3.42Å
183	C	94.8	Very high	95	Very high	11 Å²	11	17.5 Å²	17.5	7%	0.074	9%	0.089	C	C	.	.			trans	58.2	48.7	177.5	-47.2	0	0	0	0	113.1	K76 D180 L556	K76-C183 VanDerWaalsContact CE-O 3.24Å; K76-C183 WeakPolarHBondContact CE-O 3.49Å; K76-C183 PolarHBondContact NZ-O 3.34Å; D180-C183 PolarHBondContact O-N 3.41Å; D180-C183 WeakPolarHBondContact OD1-CA 3.48Å; D180-C183 PolarHBondContact OD1-N 3.27Å; D180-C183 WeakPolarHBondContact OD2-CA 3.49Å; C183-L556 VanDerWaalsContact SG-CD1 3.5Å
184	N	95.7	Very high	95.3	Very high	20 Å²	20	14.7 Å²	14.7	11%	0.107	7%	0.074	C	C	.	.	S	Bend	trans	-124	10.2	-174.8	64.8	13.5	0	0	0	114.6	T72 D180 T182 Y186	T72-N184 HydrophobicContact CG2-CB 3.79Å; T72-N184 VanDerWaalsContact OG1-CB 3.32Å; T72-N184 WeakPolarHBondContact OG1-CB 3.46Å; T72-N184 PolarHBondContact OG1-ND2 3.4Å; D180-N184 PolarHBondContact OD1-N 3.09Å; D180-N184 PolarHBondContact OD2-N 3.33Å; D180-N184 VanDerWaalsContact OD2-N 3.12Å; T182-N184 VanDerWaalsContact OG1-CG 3.29Å; T182-N184 PolarHBondContact OG1-ND2 2.76Å; T182-N184 PolarHBondContact OG1-OD1 3.26Å; N184-Y186 WeakPolarHBondContact O-CD2 3.28Å; N184-Y186 PolarHBondContact O-N 2.67Å; N184-Y186 WeakPolarHBondContact OD1-CA 3.19Å; N184-Y186 WeakPolarHBondContact OD1-CB 3.38Å; N184-Y186 PolarHBondContact OD1-N 3.43Å
185	D	97.1	Very high	95.8	Very high	94 Å²	94	14.7 Å²	14.7	50%	0.503	7%	0.073	S	C	.	.	S	Bend	trans	62.7	21	-175.5	-58.3	-57	0	0	0	113.8	W153 Q176 D180	W153-D185 VanDerWaalsContact CB-O 3.23Å; W153-D185 WeakPolarHBondContact CB-O 3.38Å; W153-D185 PolarHBondContact N-O 2.85Å; Q176-D185 PolarHBondContact NE2-OD1 2.56Å; D180-D185 PolarHBondContact OD2-N 3.26Å
186	Y	98.2	Very high	96	Very high	76 Å²	76	14.7 Å²	14.7	30%	0.298	7%	0.074	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	167	167.7	-66.4	-97	0	0	0	110.3	I68 V150 V151 N184	I68-Y186 HydrophobicContact CD1-CD1 3.62Å; I68-Y186 HydrophobicContact CD1-CD2 4.31Å; I68-Y186 HydrophobicContact CD1-CE1 3.52Å; I68-Y186 HydrophobicContact CD1-CE2 4.26Å; I68-Y186 HydrophobicContact CD1-CG 4.04Å; I68-Y186 HydrophobicContact CG1-CE1 4.29Å; I68-Y186 HydrophobicContact CG1-CE2 4.24Å; I68-Y186 HydrophobicContact CG2-CD2 3.78Å; I68-Y186 HydrophobicContact CG2-CE2 4.15Å; I68-Y186 HydrophobicContact CG2-CG 4.17Å; V150-Y186 HydrophobicContact CG2-CD1 4.02Å; V150-Y186 HydrophobicContact CG2-CG 4.2Å; V151-Y186 CarbonylContact O-C 3.21Å; V151-Y186 VanDerWaalsContact O-CA 3.3Å; V151-Y186 WeakPolarHBondContact O-CA 3.35Å; V151-Y186 WeakPolarHBondContact O-CB 3.48Å; V151-Y186 WeakPolarHBondContact O-CD1 3.48Å; N184-Y186 WeakPolarHBondContact O-CD2 3.28Å; N184-Y186 PolarHBondContact O-N 2.67Å; N184-Y186 WeakPolarHBondContact OD1-CA 3.19Å; N184-Y186 WeakPolarHBondContact OD1-CB 3.38Å; N184-Y186 PolarHBondContact OD1-N 3.43Å
187	V	98.3	Very high	96	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	113.1	168.9	-177.8	0	0	0	0	107.4	W141 V150 V151 W153 F156 I179 E191 F192	W141-V187 HydrophobicContact CH2-CG1 4.42Å; W141-V187 HydrophobicContact CZ3-CG1 4.26Å; V150-V187 WeakPolarHBondContact CA-O 3.5Å; V151-V187 HydrophobicContact CG2-CB 4.35Å; V151-V187 PolarHBondContact N-O 3.45Å; V151-V187 PolarHBondContact O-N 3.25Å; W153-V187 HydrophobicContact CE3-CG2 3.74Å; W153-V187 HydrophobicContact CZ3-CG2 4.19Å; F156-V187 HydrophobicContact CB-CB 4.44Å; F156-V187 HydrophobicContact CB-CG2 4.08Å; F156-V187 HydrophobicContact CD1-CG2 4.02Å; F156-V187 HydrophobicContact CD2-CB 4.06Å; F156-V187 HydrophobicContact CD2-CG1 3.97Å; F156-V187 HydrophobicContact CD2-CG2 4.2Å; F156-V187 HydrophobicContact CE2-CG1 3.98Å; F156-V187 HydrophobicContact CG-CB 4.16Å; F156-V187 HydrophobicContact CG-CG1 4.43Å; F156-V187 HydrophobicContact CG-CG2 3.83Å; F156-V187 HydrophobicContact CZ-CG1 4.45Å; I179-V187 HydrophobicContact CG2-CB 4.42Å; I179-V187 HydrophobicContact CG2-CG1 3.67Å; I179-V187 HydrophobicContact CG2-CG2 3.85Å; V187-E191 WeakPolarHBondContact CA-OE2 3.48Å; V187-E191 HydrophobicContact CG1-CB 4.37Å; V187-F192 HydrophobicContact CG1-CB 4.15Å
188	S	97.9	Very high	96.3	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.014	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	157.2	170.1	93.5	0	0	0	0	111.1	D115 V149 F190 E191 F192	D115-S188 WeakPolarHBondContact OD1-CB 3.04Å; D115-S188 PolarHBondContact OD1-OG 3Å; V149-S188 CarbonylContact O-C 3.54Å; V149-S188 WeakPolarHBondContact O-CA 3.17Å; S188-F190 PolarHBondContact O-N 3.42Å; S188-F190 WeakPolarHBondContact OG-CB 3.35Å; S188-F190 PolarHBondContact OG-N 3.26Å; S188-F190 VanDerWaalsContact OG-N 3.16Å; S188-E191 PolarHBondContact N-OE2 3.45Å; S188-E191 PolarHBondContact O-N 2.98Å; S188-E191 VanDerWaalsContact O-N 3.14Å; S188-E191 WeakPolarHBondContact OG-CG 3.41Å; S188-E191 PolarHBondContact OG-N 3.48Å; S188-F192 PolarHBondContact O-N 3.44Å
189	I	97.5	Very high	96.4	Very high	15 Å²	15	14.2 Å²	14.2	8%	0.077	7%	0.069	C	C	.	.	H	α-helix	trans	-58.3	-28.6	172.8	-166.6	172.6	0	0	0	111.4	L119 F130 I132 W141 V149 D193	L119-I189 HydrophobicContact CD2-CG2 3.84Å; F130-I189 HydrophobicContact CB-CG2 4.45Å; F130-I189 HydrophobicContact CD1-CB 4.27Å; F130-I189 HydrophobicContact CD1-CD1 3.85Å; F130-I189 HydrophobicContact CD1-CG1 3.74Å; F130-I189 HydrophobicContact CD1-CG2 3.67Å; F130-I189 HydrophobicContact CE1-CB 4.48Å; F130-I189 HydrophobicContact CE1-CG1 3.99Å; F130-I189 HydrophobicContact CE1-CG2 4.12Å; F130-I189 WeakPolarHBondContact CE1-O 3.48Å; F130-I189 HydrophobicContact CG-CG2 4.04Å; I132-I189 HydrophobicContact CD1-CD1 4.13Å; I132-I189 HydrophobicContact CD1-CG1 3.8Å; I132-I189 HydrophobicContact CG1-CD1 4.21Å; I132-I189 HydrophobicContact CG1-CG1 3.76Å; W141-I189 HydrophobicContact CD2-CG1 4.38Å; W141-I189 HydrophobicContact CH2-CB 4.44Å; W141-I189 HydrophobicContact CZ2-CB 3.86Å; W141-I189 HydrophobicContact CZ2-CG1 4.28Å; V149-I189 HydrophobicContact CB-CG2 4.13Å; V149-I189 PolarHBondContact O-N 3.49Å; I189-D193 WeakPolarHBondContact O-CB 3.4Å; I189-D193 PolarHBondContact O-N 3.18Å
190	F	97	Very high	96.2	Very high	14 Å²	14	15.9 Å²	15.9	6%	0.061	8%	0.077	C	C	.	.	H	α-helix	trans	-73.4	-45.7	174.5	165.7	-92.4	0	0	0	112	N114 D115 A118 F130 I181 S188 F192 D193 V194 L253	N114-F190 HydrophobicContact CB-CE1 4.29Å; N114-F190 HydrophobicContact CB-CZ 3.77Å; D115-F190 HydrophobicContact CB-CD1 3.67Å; D115-F190 HydrophobicContact CB-CE1 3.99Å; D115-F190 HydrophobicContact CB-CG 4.46Å; D115-F190 WeakPolarHBondContact OD1-CB 3.38Å; D115-F190 VanDerWaalsContact OD1-CD1 3.31Å; D115-F190 WeakPolarHBondContact OD1-CD1 3.39Å; A118-F190 HydrophobicContact CB-CB 4.1Å; A118-F190 HydrophobicContact CB-CD2 3.45Å; A118-F190 VanDerWaalsContact CB-CD2 3.45Å; A118-F190 HydrophobicContact CB-CE2 4.08Å; A118-F190 HydrophobicContact CB-CG 3.92Å; F130-F190 HydrophobicContact CE2-CB 4.03Å; F130-F190 AromaticContact CE2-CD2 3.95Å; F130-F190 HydrophobicContact CE2-CD2 3.95Å; F130-F190 HydrophobicContact CZ-CB 3.94Å; F130-F190 HydrophobicContact CZ-CD2 4.1Å; I181-F190 HydrophobicContact CD1-CE1 4.24Å; S188-F190 PolarHBondContact O-N 3.42Å; S188-F190 WeakPolarHBondContact OG-CB 3.35Å; S188-F190 PolarHBondContact OG-N 3.26Å; S188-F190 VanDerWaalsContact OG-N 3.16Å; F190-F192 VanDerWaalsContact C-N 3.26Å; F190-F192 PolarHBondContact O-N 3.17Å; F190-D193 WeakPolarHBondContact O-CB 3.44Å; F190-D193 PolarHBondContact O-N 3.05Å; F190-D193 VanDerWaalsContact O-N 3.17Å; F190-V194 HydrophobicContact CD1-CG2 4.42Å; F190-V194 HydrophobicContact CD2-CG2 4.46Å; F190-V194 HydrophobicContact CE1-CG2 3.96Å; F190-V194 HydrophobicContact CE2-CG2 4.03Å; F190-V194 HydrophobicContact CZ-CG2 3.74Å; F190-V194 WeakPolarHBondContact O-CG2 3.24Å; F190-V194 PolarHBondContact O-N 3.23Å; F190-L253 HydrophobicContact CE1-CD1 4.19Å; F190-L253 HydrophobicContact CZ-CB 4.35Å; F190-L253 HydrophobicContact CZ-CD1 3.72Å
191	E	97.6	Very high	96	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.009	9%	0.087	C	C	.	.	H	α-helix	trans	-59	-41.7	175.3	-66.5	-179.4	116.9	0	0	111	I181 T182 V187 S188 V194 F195	I181-E191 HydrophobicContact CD1-CG 4.15Å; I181-E191 HydrophobicContact CG1-CB 4.4Å; I181-E191 HydrophobicContact CG1-CG 3.68Å; I181-E191 WeakPolarHBondContact CG1-OE1 3.31Å; I181-E191 PolarHBondContact N-OE1 3.33Å; I181-E191 VanDerWaalsContact N-OE1 3.08Å; T182-E191 WeakPolarHBondContact CB-OE1 3.4Å; T182-E191 WeakPolarHBondContact CG2-OE1 3.14Å; T182-E191 PolarHBondContact N-OE1 3.02Å; T182-E191 PolarHBondContact OG1-OE1 3.42Å; V187-E191 WeakPolarHBondContact CA-OE2 3.48Å; V187-E191 HydrophobicContact CG1-CB 4.37Å; S188-E191 PolarHBondContact N-OE2 3.45Å; S188-E191 PolarHBondContact O-N 2.98Å; S188-E191 VanDerWaalsContact O-N 3.14Å; S188-E191 WeakPolarHBondContact OG-CG 3.41Å; S188-E191 PolarHBondContact OG-N 3.48Å; E191-V194 PolarHBondContact O-N 2.83Å; E191-F195 PolarHBondContact O-N 3.13Å
192	F	98	Very high	96	Very high	1 Å²	1	18.3 Å²	18.3	0%	0.004	9%	0.089	C	C	.	.	H	α-helix	trans	-64.7	-41.7	174.3	-176.9	-110.8	0	0	0	113.3	I132 A137 W140 W141 F156 V187 S188 F190 V194 F195 T196 W202	I132-F192 HydrophobicContact CD1-CD1 3.75Å; I132-F192 HydrophobicContact CD1-CE1 3.96Å; I132-F192 HydrophobicContact CG1-CD1 4.28Å; A137-F192 HydrophobicContact CB-CE1 3.8Å; A137-F192 HydrophobicContact CB-CZ 3.94Å; A137-F192 WeakPolarHBondContact O-CE1 3.42Å; W140-F192 HydrophobicContact CD2-CZ 4.44Å; W140-F192 HydrophobicContact CE3-CE1 4.09Å; W140-F192 AromaticContact CE3-CE2 3.9Å; W140-F192 HydrophobicContact CE3-CE2 3.9Å; W140-F192 AromaticContact CE3-CZ 3.38Å; W140-F192 HydrophobicContact CE3-CZ 3.38Å; W140-F192 HydrophobicContact CZ3-CD2 4.45Å; W140-F192 HydrophobicContact CZ3-CE1 4.41Å; W140-F192 AromaticContact CZ3-CE2 3.65Å; W140-F192 HydrophobicContact CZ3-CE2 3.65Å; W140-F192 AromaticContact CZ3-CZ 3.63Å; W140-F192 HydrophobicContact CZ3-CZ 3.63Å; W141-F192 HydrophobicContact CB-CD1 4.39Å; W141-F192 HydrophobicContact CB-CE1 4.02Å; W141-F192 HydrophobicContact CD2-CD1 4.1Å; W141-F192 HydrophobicContact CE3-CB 3.85Å; W141-F192 AromaticContact CE3-CD1 3.32Å; W141-F192 HydrophobicContact CE3-CD1 3.32Å; W141-F192 HydrophobicContact CE3-CD2 4.17Å; W141-F192 AromaticContact CE3-CE1 3.82Å; W141-F192 HydrophobicContact CE3-CE1 3.82Å; W141-F192 AromaticContact CE3-CG 3.51Å; W141-F192 HydrophobicContact CE3-CG 3.51Å; W141-F192 HydrophobicContact CE3-CZ 4.43Å; W141-F192 HydrophobicContact CH2-CB 4.33Å; W141-F192 HydrophobicContact CZ3-CB 3.5Å; W141-F192 VanDerWaalsContact CZ3-CB 3.5Å; W141-F192 AromaticContact CZ3-CD1 3.93Å; W141-F192 HydrophobicContact CZ3-CD1 3.93Å; W141-F192 HydrophobicContact CZ3-CD2 4.22Å; W141-F192 AromaticContact CZ3-CG 3.62Å; W141-F192 HydrophobicContact CZ3-CG 3.62Å; F156-F192 AromaticContact CE2-CD2 3.59Å; F156-F192 HydrophobicContact CE2-CD2 3.59Å; F156-F192 AromaticContact CE2-CE2 3.94Å; F156-F192 HydrophobicContact CE2-CE2 3.94Å; F156-F192 HydrophobicContact CE2-CG 4.38Å; F156-F192 AromaticContact CZ-CD2 3.71Å; F156-F192 HydrophobicContact CZ-CD2 3.71Å; F156-F192 AromaticContact CZ-CE2 3.95Å; F156-F192 HydrophobicContact CZ-CE2 3.95Å; V187-F192 HydrophobicContact CG1-CB 4.15Å; S188-F192 PolarHBondContact O-N 3.44Å; F190-F192 VanDerWaalsContact C-N 3.26Å; F190-F192 PolarHBondContact O-N 3.17Å; F192-V194 VanDerWaalsContact C-N 3.33Å; F192-V194 PolarHBondContact O-N 3.43Å; F192-F195 PolarHBondContact O-N 3.4Å; F192-T196 HydrophobicContact CD1-CG2 4.34Å; F192-T196 HydrophobicContact CD2-CG2 4.12Å; F192-T196 HydrophobicContact CE1-CG2 4.02Å; F192-T196 HydrophobicContact CE2-CG2 3.77Å; F192-T196 HydrophobicContact CG-CG2 4.4Å; F192-T196 HydrophobicContact CZ-CG2 3.72Å; F192-T196 WeakPolarHBondContact O-CB 3.45Å; F192-T196 WeakPolarHBondContact O-CG2 3.48Å; F192-T196 PolarHBondContact O-N 2.97Å; F192-T196 PolarHBondContact O-OG1 3.44Å; F192-W202 HydrophobicContact CE2-CH2 4.06Å; F192-W202 AromaticContact CE2-CZ3 3.9Å; F192-W202 HydrophobicContact CE2-CZ3 3.9Å; F192-W202 AromaticContact CZ-CH2 3.63Å; F192-W202 HydrophobicContact CZ-CH2 3.63Å; F192-W202 AromaticContact CZ-CZ3 3.54Å; F192-W202 HydrophobicContact CZ-CZ3 3.54Å
193	D	97.3	Very high	95.7	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-60.4	-41.9	172.1	174.7	62.9	0	0	0	112.1	F130 T133 I189 F190 T196 R197 K379	F130-D193 HydrophobicContact CE1-CB 3.83Å; F130-D193 HydrophobicContact CZ-CB 3.76Å; T133-D193 WeakPolarHBondContact CA-OD1 3.33Å; T133-D193 WeakPolarHBondContact CB-OD1 3.31Å; T133-D193 PolarHBondContact N-OD1 2.81Å; T133-D193 PolarHBondContact OG1-OD1 3.15Å; I189-D193 WeakPolarHBondContact O-CB 3.4Å; I189-D193 PolarHBondContact O-N 3.18Å; F190-D193 WeakPolarHBondContact O-CB 3.44Å; F190-D193 PolarHBondContact O-N 3.05Å; F190-D193 VanDerWaalsContact O-N 3.17Å; D193-T196 WeakPolarHBondContact CA-OG1 3.38Å; D193-T196 PolarHBondContact O-OG1 2.77Å; D193-T196 VanDerWaalsContact O-OG1 3.1Å; D193-R197 WeakPolarHBondContact O-CB 3.41Å; D193-R197 WeakPolarHBondContact O-CG 3.38Å; D193-R197 PolarHBondContact O-N 2.9Å; D193-R197 VanDerWaalsContact O-N 3.08Å; D193-R197 PolarHBondContact O-NE 3.01Å; D193-R197 IonicContact OD1-NE 3.31Å; D193-R197 IonicContact OD2-CZ 3.83Å; D193-R197 IonicContact OD2-NE 3.85Å; D193-R197 PolarHBondContact OD2-NE 3.4Å; D193-R197 IonicContact OD2-NH2 2.97Å; D193-R197 PolarHBondContact OD2-NH2 2.82Å; D193-R197 VanDerWaalsContact OD2-NH2 3.08Å; D193-K379 IonicContact OD2-NZ 3.65Å
194	V	96.2	Very high	95.4	Very high	7 Å²	7	23.2 Å²	23.2	4%	0.042	12%	0.115	C	C	.	.	H	α-helix	trans	-61.5	-50.7	176.5	168.5	0	0	0	0	110.4	I181 F190 E191 F192 T196 R197 L198 L253	I181-V194 HydrophobicContact CD1-CG1 4.45Å; F190-V194 HydrophobicContact CD1-CG2 4.42Å; F190-V194 HydrophobicContact CD2-CG2 4.46Å; F190-V194 HydrophobicContact CE1-CG2 3.96Å; F190-V194 HydrophobicContact CE2-CG2 4.03Å; F190-V194 HydrophobicContact CZ-CG2 3.74Å; F190-V194 WeakPolarHBondContact O-CG2 3.24Å; F190-V194 PolarHBondContact O-N 3.23Å; E191-V194 PolarHBondContact O-N 2.83Å; F192-V194 VanDerWaalsContact C-N 3.33Å; F192-V194 PolarHBondContact O-N 3.43Å; V194-T196 PolarHBondContact O-N 2.8Å; V194-R197 PolarHBondContact O-N 3.01Å; V194-L198 HydrophobicContact CG1-CD1 3.78Å; V194-L198 VanDerWaalsContact O-CG 3.27Å; V194-L198 WeakPolarHBondContact O-CG 3.14Å; V194-L198 PolarHBondContact O-N 2.82Å; V194-L198 VanDerWaalsContact O-N 3.11Å; V194-L253 HydrophobicContact CG2-CB 4.1Å
195	F	97.1	Very high	95.3	Very high	6 Å²	6	22.3 Å²	22.3	3%	0.026	11%	0.11	C	C	.	.	H	α-helix	trans	-57.8	-47.6	179	177.3	-102	0	0	0	112.2	L175 T178 I179 E191 F192 R197 L198 F199 I205 L206 W209	L175-F195 HydrophobicContact CD1-CE2 3.76Å; L175-F195 HydrophobicContact CD1-CZ 3.67Å; T178-F195 HydrophobicContact CG2-CD2 4.17Å; T178-F195 HydrophobicContact CG2-CE2 4.13Å; I179-F195 HydrophobicContact CD1-CD1 4.21Å; I179-F195 HydrophobicContact CD1-CD2 4.22Å; I179-F195 HydrophobicContact CD1-CE1 4.17Å; I179-F195 HydrophobicContact CD1-CE2 4.18Å; I179-F195 HydrophobicContact CD1-CG 4.25Å; I179-F195 HydrophobicContact CD1-CZ 4.17Å; I179-F195 HydrophobicContact CG1-CB 4.28Å; I179-F195 HydrophobicContact CG1-CD1 4.19Å; I179-F195 HydrophobicContact CG1-CD2 3.46Å; I179-F195 VanDerWaalsContact CG1-CD2 3.46Å; I179-F195 HydrophobicContact CG1-CE1 4.43Å; I179-F195 HydrophobicContact CG1-CE2 3.74Å; I179-F195 HydrophobicContact CG1-CG 3.72Å; I179-F195 HydrophobicContact CG1-CZ 4.24Å; E191-F195 PolarHBondContact O-N 3.13Å; F192-F195 PolarHBondContact O-N 3.4Å; F195-R197 VanDerWaalsContact C-N 3.33Å; F195-R197 PolarHBondContact O-N 3.11Å; F195-L198 PolarHBondContact O-N 2.79Å; F195-L198 VanDerWaalsContact O-N 3.17Å; F195-F199 AromaticContact CD2-CD2 3.44Å; F195-F199 HydrophobicContact CD2-CD2 3.44Å; F195-F199 VanDerWaalsContact CD2-CD2 3.44Å; F195-F199 AromaticContact CD2-CE2 3.65Å; F195-F199 HydrophobicContact CD2-CE2 3.65Å; F195-F199 AromaticContact CE2-CD2 3.33Å; F195-F199 HydrophobicContact CE2-CD2 3.33Å; F195-F199 AromaticContact CE2-CE2 3.66Å; F195-F199 HydrophobicContact CE2-CE2 3.66Å; F195-F199 HydrophobicContact CE2-CG 4.28Å; F195-F199 HydrophobicContact CG-CD2 4.19Å; F195-F199 HydrophobicContact CZ-CD2 4.01Å; F195-F199 WeakPolarHBondContact O-CD2 3.31Å; F195-F199 PolarHBondContact O-N 2.98Å; F195-F199 VanDerWaalsContact O-N 3.07Å; F195-I205 HydrophobicContact CD1-CD1 3.87Å; F195-I205 HydrophobicContact CE1-CD1 3.51Å; F195-I205 HydrophobicContact CE1-CG1 3.84Å; F195-I205 HydrophobicContact CZ-CD1 4.41Å; F195-I205 HydrophobicContact CZ-CG1 4.3Å; F195-L206 HydrophobicContact CZ-CD2 4.28Å; F195-W209 HydrophobicContact CE2-CG 4.34Å; F195-W209 HydrophobicContact CZ-CB 4.46Å
196	T	97	Very high	95.1	Very high	2 Å²	2	18 Å²	18	1%	0.012	9%	0.087	C	C	.	.	H	α-helix	trans	-69.2	-28.9	-176.5	56.4	0	0	0	0	113.5	A137 F192 D193 V194 Q200 W202 I205	A137-T196 HydrophobicContact CB-CG2 3.6Å; F192-T196 HydrophobicContact CD1-CG2 4.34Å; F192-T196 HydrophobicContact CD2-CG2 4.12Å; F192-T196 HydrophobicContact CE1-CG2 4.02Å; F192-T196 HydrophobicContact CE2-CG2 3.77Å; F192-T196 HydrophobicContact CG-CG2 4.4Å; F192-T196 HydrophobicContact CZ-CG2 3.72Å; F192-T196 WeakPolarHBondContact O-CB 3.45Å; F192-T196 WeakPolarHBondContact O-CG2 3.48Å; F192-T196 PolarHBondContact O-N 2.97Å; F192-T196 PolarHBondContact O-OG1 3.44Å; D193-T196 WeakPolarHBondContact CA-OG1 3.38Å; D193-T196 PolarHBondContact O-OG1 2.77Å; D193-T196 VanDerWaalsContact O-OG1 3.1Å; V194-T196 PolarHBondContact O-N 2.8Å; T196-Q200 PolarHBondContact O-N 2.77Å; T196-W202 HydrophobicContact CG2-CE3 3.98Å; T196-W202 HydrophobicContact CG2-CZ3 3.75Å; T196-I205 HydrophobicContact CG2-CD1 3.95Å
197	R	95.7	Very high	94.7	Very high	20 Å²	20	17.9 Å²	17.9	8%	0.075	9%	0.089	C	C	.	.	H	α-helix	trans	-71.6	-38.6	170.3	-75.4	-171.9	-76	140.9	2.2	112.7	T133 D193 V194 F195 Q200 L253	T133-R197 HydrophobicContact CG2-CG 3.95Å; T133-R197 VanDerWaalsContact OG1-CD 3.3Å; T133-R197 WeakPolarHBondContact OG1-CD 3.46Å; D193-R197 WeakPolarHBondContact O-CB 3.41Å; D193-R197 WeakPolarHBondContact O-CG 3.38Å; D193-R197 PolarHBondContact O-N 2.9Å; D193-R197 VanDerWaalsContact O-N 3.08Å; D193-R197 PolarHBondContact O-NE 3.01Å; D193-R197 IonicContact OD1-NE 3.31Å; D193-R197 IonicContact OD2-CZ 3.83Å; D193-R197 IonicContact OD2-NE 3.85Å; D193-R197 PolarHBondContact OD2-NE 3.4Å; D193-R197 IonicContact OD2-NH2 2.97Å; D193-R197 PolarHBondContact OD2-NH2 2.82Å; D193-R197 VanDerWaalsContact OD2-NH2 3.08Å; V194-R197 PolarHBondContact O-N 3.01Å; F195-R197 VanDerWaalsContact C-N 3.33Å; F195-R197 PolarHBondContact O-N 3.11Å; R197-Q200 PolarHBondContact O-NE2 3.36Å; R197-L253 VanDerWaalsContact CZ-O 3.31Å; R197-L253 PolarHBondContact NH1-O 2.72Å; R197-L253 PolarHBondContact NH2-O 2.78Å; R197-L253 VanDerWaalsContact NH2-O 3.12Å
198	L	95.1	Very high	94.4	Very high	9 Å²	9	18 Å²	18	5%	0.047	9%	0.09	C	C	.	.	H	α-helix	trans	-68.5	-46.9	-178	-71.2	166.5	0	0	0	112.3	V194 F195 L248 W256	V194-L198 HydrophobicContact CG1-CD1 3.78Å; V194-L198 VanDerWaalsContact O-CG 3.27Å; V194-L198 WeakPolarHBondContact O-CG 3.14Å; V194-L198 PolarHBondContact O-N 2.82Å; V194-L198 VanDerWaalsContact O-N 3.11Å; F195-L198 PolarHBondContact O-N 2.79Å; F195-L198 VanDerWaalsContact O-N 3.17Å; L198-L248 HydrophobicContact CD1-CD1 4.49Å; L198-L248 HydrophobicContact CD1-CD2 3.55Å; L198-L248 HydrophobicContact CD2-CD2 3.56Å; L198-L248 HydrophobicContact CG-CD2 4.12Å; L198-W256 HydrophobicContact CB-CZ2 3.94Å; L198-W256 HydrophobicContact CD2-CD2 4.02Å; L198-W256 HydrophobicContact CD2-CG 4.21Å; L198-W256 HydrophobicContact CD2-CZ2 4.13Å; L198-W256 PolarHBondContact O-NE1 3.05Å
199	F	94.8	Very high	94.2	Very high	1 Å²	1	18 Å²	18	0%	0.004	9%	0.089	C	C	.	.	S	Bend	trans	-105.1	20.5	-171.3	-57.7	-70.9	0	0	0	113.8	T178 F195 I205 T208 W209 L212 A213 W256	T178-F199 HydrophobicContact CG2-CE2 3.59Å; T178-F199 HydrophobicContact CG2-CZ 3.86Å; F195-F199 AromaticContact CD2-CD2 3.44Å; F195-F199 HydrophobicContact CD2-CD2 3.44Å; F195-F199 VanDerWaalsContact CD2-CD2 3.44Å; F195-F199 AromaticContact CD2-CE2 3.65Å; F195-F199 HydrophobicContact CD2-CE2 3.65Å; F195-F199 AromaticContact CE2-CD2 3.33Å; F195-F199 HydrophobicContact CE2-CD2 3.33Å; F195-F199 AromaticContact CE2-CE2 3.66Å; F195-F199 HydrophobicContact CE2-CE2 3.66Å; F195-F199 HydrophobicContact CE2-CG 4.28Å; F195-F199 HydrophobicContact CG-CD2 4.19Å; F195-F199 HydrophobicContact CZ-CD2 4.01Å; F195-F199 WeakPolarHBondContact O-CD2 3.31Å; F195-F199 PolarHBondContact O-N 2.98Å; F195-F199 VanDerWaalsContact O-N 3.07Å; F199-I205 HydrophobicContact CB-CG1 3.88Å; F199-T208 HydrophobicContact CB-CG2 4.47Å; F199-T208 WeakPolarHBondContact O-CG2 3.46Å; F199-W209 HydrophobicContact CB-CB 4.18Å; F199-W209 VanDerWaalsContact CD1-CA 3.42Å; F199-W209 HydrophobicContact CD1-CB 3.79Å; F199-W209 HydrophobicContact CD1-CG 4.4Å; F199-W209 HydrophobicContact CD2-CB 4.34Å; F199-W209 HydrophobicContact CE1-CB 4.23Å; F199-W209 AromaticContact CE1-CD1 3.75Å; F199-W209 HydrophobicContact CE1-CG 4.39Å; F199-W209 AromaticContact CE2-CD1 3.78Å; F199-W209 HydrophobicContact CG-CB 3.83Å; F199-W209 HydrophobicContact CG-CG 4.5Å; F199-W209 AromaticContact CZ-CD1 3.57Å; F199-L212 HydrophobicContact CD1-CD1 4.38Å; F199-L212 HydrophobicContact CE1-CB 4.39Å; F199-A213 HydrophobicContact CE1-CB 4Å; F199-A213 HydrophobicContact CZ-CB 4.16Å; F199-W256 HydrophobicContact CD1-CZ2 4.03Å; F199-W256 AromaticContact CE1-CH2 3.72Å; F199-W256 HydrophobicContact CE1-CH2 3.72Å; F199-W256 AromaticContact CE1-CZ2 3.52Å; F199-W256 HydrophobicContact CE1-CZ2 3.52Å; F199-W256 AromaticContact CZ-CH2 3.93Å; F199-W256 HydrophobicContact CZ-CH2 3.93Å; F199-W256 AromaticContact CZ-CZ2 3.88Å; F199-W256 HydrophobicContact CZ-CZ2 3.88Å
200	Q	92.4	Very high	93.8	Very high	35 Å²	35	19.7 Å²	19.7	16%	0.164	10%	0.096	C	C	.	.			trans	-52.2	146.5	174.7	69.8	-177.3	-71.3	0	0	111.9	K134 T196 R197	K134-Q200 VanDerWaalsContact CE-CD 3.49Å; K134-Q200 VanDerWaalsContact CE-OE1 3.22Å; T196-Q200 PolarHBondContact O-N 2.77Å; R197-Q200 PolarHBondContact O-NE2 3.36Å
201	P	90.9	Very high	93.5	Very high	35 Å²	35	19.2 Å²	19.2	23%	0.227	10%	0.095	C	C	.	.			cis	-88.3	164.7	9.6	35.8	-35.8	0	0	0	114.7	N203 N204 I205 L310	P201-N203 VanDerWaalsContact CB-OD1 3.31Å; P201-N203 WeakPolarHBondContact CB-OD1 3.4Å; P201-N203 VanDerWaalsContact CG-OD1 3.24Å; P201-N203 WeakPolarHBondContact CG-OD1 3.32Å; P201-N203 PolarHBondContact O-N 3.34Å; P201-N204 WeakPolarHBondContact CD-OD1 3.17Å; P201-N204 VanDerWaalsContact CG-OD1 3.22Å; P201-N204 WeakPolarHBondContact CG-OD1 3.22Å; P201-N204 PolarHBondContact O-OD1 3.06Å; P201-I205 WeakPolarHBondContact O-CA 3.43Å; P201-I205 PolarHBondContact O-N 2.93Å; P201-L310 HydrophobicContact CG-CD1 3.68Å; P201-L310 HydrophobicContact CG-CD2 3.54Å; P201-L310 HydrophobicContact CG-CG 4.27Å
202	W	92	Very high	93.2	Very high	35 Å²	35	19.2 Å²	19.2	13%	0.133	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-63.8	-34.4	-172.9	176	-100.6	0	0	0	114.2	N136 A137 W140 F164 F192 T196 N204 I205	N136-W202 HydrophobicContact CB-CB 3.84Å; N136-W202 VanDerWaalsContact CB-CD1 3.44Å; N136-W202 HydrophobicContact CB-CG 3.63Å; A137-W202 HydrophobicContact CB-CD2 4.1Å; A137-W202 HydrophobicContact CB-CE3 3.57Å; A137-W202 HydrophobicContact CB-CH2 4.48Å; A137-W202 HydrophobicContact CB-CZ3 3.79Å; W140-W202 HydrophobicContact CB-CH2 4.07Å; W140-W202 HydrophobicContact CB-CZ2 3.5Å; W140-W202 AromaticContact CD1-CZ2 3.72Å; W140-W202 AromaticContact CD2-CH2 3.7Å; W140-W202 HydrophobicContact CD2-CH2 3.7Å; W140-W202 AromaticContact CD2-CZ2 3.75Å; W140-W202 HydrophobicContact CD2-CZ2 3.75Å; W140-W202 AromaticContact CE3-CH2 3.85Å; W140-W202 HydrophobicContact CE3-CH2 3.85Å; W140-W202 HydrophobicContact CE3-CZ2 4.34Å; W140-W202 AromaticContact CG-CH2 3.8Å; W140-W202 HydrophobicContact CG-CH2 3.8Å; W140-W202 AromaticContact CG-CZ2 3.34Å; W140-W202 HydrophobicContact CG-CZ2 3.34Å; F164-W202 AromaticContact CE2-CH2 3.77Å; F164-W202 HydrophobicContact CE2-CH2 3.77Å; F164-W202 AromaticContact CE2-CZ2 3.64Å; F164-W202 HydrophobicContact CE2-CZ2 3.64Å; F164-W202 HydrophobicContact CE2-CZ3 4.47Å; F164-W202 HydrophobicContact CZ-CD2 4.21Å; F164-W202 AromaticContact CZ-CE2 3.68Å; F164-W202 AromaticContact CZ-CH2 3.96Å; F164-W202 HydrophobicContact CZ-CH2 3.96Å; F164-W202 AromaticContact CZ-CZ2 3.55Å; F164-W202 HydrophobicContact CZ-CZ2 3.55Å; F164-W202 HydrophobicContact CZ-CZ3 4.43Å; F192-W202 HydrophobicContact CE2-CH2 4.06Å; F192-W202 AromaticContact CE2-CZ3 3.9Å; F192-W202 HydrophobicContact CE2-CZ3 3.9Å; F192-W202 AromaticContact CZ-CH2 3.63Å; F192-W202 HydrophobicContact CZ-CH2 3.63Å; F192-W202 AromaticContact CZ-CZ3 3.54Å; F192-W202 HydrophobicContact CZ-CZ3 3.54Å; T196-W202 HydrophobicContact CG2-CE3 3.98Å; T196-W202 HydrophobicContact CG2-CZ3 3.75Å; W202-N204 VanDerWaalsContact C-N 3.31Å; W202-N204 PolarHBondContact O-N 2.86Å; W202-I205 HydrophobicContact CE3-CD1 3.82Å; W202-I205 HydrophobicContact CE3-CG2 4.43Å; W202-I205 HydrophobicContact CZ3-CD1 4.05Å; W202-I205 WeakPolarHBondContact O-CG2 3.4Å; W202-I205 PolarHBondContact O-N 3.47Å
203	N	88.5	Confident	92.8	Very high	93 Å²	93	19.2 Å²	19.2	50%	0.497	10%	0.095	S	C	.	.	G	3₁₀ helix	trans	-68.3	-25.4	-173.2	59.6	-48	0	0	0	114.4	P201 L310	P201-N203 VanDerWaalsContact CB-OD1 3.31Å; P201-N203 WeakPolarHBondContact CB-OD1 3.4Å; P201-N203 VanDerWaalsContact CG-OD1 3.24Å; P201-N203 WeakPolarHBondContact CG-OD1 3.32Å; P201-N203 PolarHBondContact O-N 3.34Å; N203-L310 VanDerWaalsContact ND2-CD2 3.35Å; N203-L310 WeakPolarHBondContact ND2-CD2 3.36Å
204	N	89.3	Confident	92.2	Very high	20 Å²	20	19.6 Å²	19.6	11%	0.107	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-131.3	35.6	176	67.2	-3.4	0	0	0	110.8	P201 W202 L206 E207 T208 L306	P201-N204 WeakPolarHBondContact CD-OD1 3.17Å; P201-N204 VanDerWaalsContact CG-OD1 3.22Å; P201-N204 WeakPolarHBondContact CG-OD1 3.22Å; P201-N204 PolarHBondContact O-OD1 3.06Å; W202-N204 VanDerWaalsContact C-N 3.31Å; W202-N204 PolarHBondContact O-N 2.86Å; N204-L206 VanDerWaalsContact C-N 3.32Å; N204-L206 PolarHBondContact O-N 3.24Å; N204-E207 WeakPolarHBondContact CA-OE2 3.47Å; N204-E207 HydrophobicContact CB-CB 4.36Å; N204-E207 PolarHBondContact O-N 3.37Å; N204-T208 WeakPolarHBondContact O-CB 3.28Å; N204-T208 PolarHBondContact O-N 3.07Å; N204-T208 PolarHBondContact O-OG1 3.4Å; N204-T208 PolarHBondContact OD1-OG1 3.36Å; N204-L306 PolarHBondContact ND2-O 3.26Å; N204-L306 VanDerWaalsContact ND2-O 3.14Å
205	I	93.7	Very high	91.8	Very high	1 Å²	1	23 Å²	23	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-60.7	-38.6	-171	-171.6	166.8	0	0	0	112.5	F164 F195 T196 F199 P201 W202 W209	F164-I205 HydrophobicContact CD1-CG2 4.44Å; F164-I205 HydrophobicContact CE1-CG2 3.79Å; F164-I205 HydrophobicContact CE2-CG2 4.13Å; F164-I205 HydrophobicContact CZ-CG2 3.59Å; F195-I205 HydrophobicContact CD1-CD1 3.87Å; F195-I205 HydrophobicContact CE1-CD1 3.51Å; F195-I205 HydrophobicContact CE1-CG1 3.84Å; F195-I205 HydrophobicContact CZ-CD1 4.41Å; F195-I205 HydrophobicContact CZ-CG1 4.3Å; T196-I205 HydrophobicContact CG2-CD1 3.95Å; F199-I205 HydrophobicContact CB-CG1 3.88Å; P201-I205 WeakPolarHBondContact O-CA 3.43Å; P201-I205 PolarHBondContact O-N 2.93Å; W202-I205 HydrophobicContact CE3-CD1 3.82Å; W202-I205 HydrophobicContact CE3-CG2 4.43Å; W202-I205 HydrophobicContact CZ3-CD1 4.05Å; W202-I205 WeakPolarHBondContact O-CG2 3.4Å; W202-I205 PolarHBondContact O-N 3.47Å; I205-W209 VanDerWaalsContact O-CB 3.31Å; I205-W209 WeakPolarHBondContact O-CB 3.4Å; I205-W209 PolarHBondContact O-N 3.36Å
206	L	92.5	Very high	91.4	Very high	4 Å²	4	23.5 Å²	23.5	2%	0.021	12%	0.117	C	C	.	.	H	α-helix	trans	-76.4	-34.4	-179.3	-62.4	-166.3	0	0	0	112	F164 I166 L175 F195 N204 W209 K210	F164-L206 HydrophobicContact CB-CD1 3.45Å; F164-L206 VanDerWaalsContact CB-CD1 3.45Å; F164-L206 HydrophobicContact CB-CG 4.16Å; F164-L206 HydrophobicContact CD2-CD1 4.44Å; F164-L206 HydrophobicContact CG-CD1 4Å; F164-L206 HydrophobicContact CG-CG 4.2Å; I166-L206 HydrophobicContact CD1-CD1 3.97Å; I166-L206 HydrophobicContact CG1-CD1 3.71Å; L175-L206 HydrophobicContact CD1-CD2 4.14Å; L175-L206 HydrophobicContact CD2-CD2 3.9Å; F195-L206 HydrophobicContact CZ-CD2 4.28Å; N204-L206 VanDerWaalsContact C-N 3.32Å; N204-L206 PolarHBondContact O-N 3.24Å; L206-W209 PolarHBondContact O-N 3.24Å; L206-K210 VanDerWaalsContact O-CB 3.31Å; L206-K210 WeakPolarHBondContact O-CB 3.34Å; L206-K210 PolarHBondContact O-N 3.07Å
207	E	90.3	Very high	91.1	Very high	74 Å²	74	24.9 Å²	24.9	35%	0.346	13%	0.126	S	C	.	.	H	α-helix	trans	-66.1	-42.6	172.6	-63.2	81.7	173.3	0	0	110.6	N204 K210 A211 L306	N204-E207 WeakPolarHBondContact CA-OE2 3.47Å; N204-E207 HydrophobicContact CB-CB 4.36Å; N204-E207 PolarHBondContact O-N 3.37Å; E207-K210 PolarHBondContact O-N 3.41Å; E207-A211 VanDerWaalsContact O-CB 3.29Å; E207-A211 WeakPolarHBondContact O-CB 3.45Å; E207-A211 PolarHBondContact O-N 3.43Å; E207-L306 HydrophobicContact CB-CD2 3.82Å
208	T	92.2	Very high	90.9	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.012	12%	0.122	C	C	.	.	H	α-helix	trans	-64.1	-44.7	174.9	-62.2	0	0	0	0	111.4	F199 N204 A211 L212	F199-T208 HydrophobicContact CB-CG2 4.47Å; F199-T208 WeakPolarHBondContact O-CG2 3.46Å; N204-T208 WeakPolarHBondContact O-CB 3.28Å; N204-T208 PolarHBondContact O-N 3.07Å; N204-T208 PolarHBondContact O-OG1 3.4Å; N204-T208 PolarHBondContact OD1-OG1 3.36Å; T208-A211 PolarHBondContact O-N 3.05Å; T208-L212 HydrophobicContact CG2-CD1 3.67Å; T208-L212 HydrophobicContact CG2-CG 4.39Å; T208-L212 WeakPolarHBondContact O-CB 3.48Å; T208-L212 WeakPolarHBondContact O-CG 3.28Å; T208-L212 PolarHBondContact O-N 3.17Å
209	W	93.7	Very high	90.8	Very high	1 Å²	1	23.8 Å²	23.8	0%	0.004	12%	0.121	C	C	.	.	H	α-helix	trans	-58.6	-49.6	172.8	165.2	75.7	0	0	0	112.2	Q171 A174 L175 T178 F195 F199 I205 L206 A211 L212 A213 I214 L554	Q171-W209 HydrophobicContact CG-CH2 3.82Å; Q171-W209 HydrophobicContact CG-CZ3 3.58Å; Q171-W209 WeakPolarHBondContact O-CH2 3.5Å; A174-W209 HydrophobicContact CB-CH2 4.17Å; A174-W209 HydrophobicContact CB-CZ2 4.07Å; L175-W209 HydrophobicContact CB-CH2 3.84Å; L175-W209 HydrophobicContact CB-CZ2 3.99Å; L175-W209 HydrophobicContact CB-CZ3 4.36Å; L175-W209 HydrophobicContact CD1-CD2 3.83Å; L175-W209 HydrophobicContact CD1-CE3 4.06Å; L175-W209 HydrophobicContact CD1-CG 4.31Å; L175-W209 HydrophobicContact CD1-CH2 4.25Å; L175-W209 HydrophobicContact CD1-CZ2 4.04Å; L175-W209 HydrophobicContact CD1-CZ3 4.26Å; T178-W209 PolarHBondContact OG1-NE1 3.03Å; F195-W209 HydrophobicContact CE2-CG 4.34Å; F195-W209 HydrophobicContact CZ-CB 4.46Å; F199-W209 HydrophobicContact CB-CB 4.18Å; F199-W209 VanDerWaalsContact CD1-CA 3.42Å; F199-W209 HydrophobicContact CD1-CB 3.79Å; F199-W209 HydrophobicContact CD1-CG 4.4Å; F199-W209 HydrophobicContact CD2-CB 4.34Å; F199-W209 HydrophobicContact CE1-CB 4.23Å; F199-W209 AromaticContact CE1-CD1 3.75Å; F199-W209 HydrophobicContact CE1-CG 4.39Å; F199-W209 AromaticContact CE2-CD1 3.78Å; F199-W209 HydrophobicContact CG-CB 3.83Å; F199-W209 HydrophobicContact CG-CG 4.5Å; F199-W209 AromaticContact CZ-CD1 3.57Å; I205-W209 VanDerWaalsContact O-CB 3.31Å; I205-W209 WeakPolarHBondContact O-CB 3.4Å; I205-W209 PolarHBondContact O-N 3.36Å; L206-W209 PolarHBondContact O-N 3.24Å; W209-A211 VanDerWaalsContact C-N 3.34Å; W209-A211 PolarHBondContact O-N 3.44Å; W209-L212 PolarHBondContact O-N 3.27Å; W209-A213 WeakPolarHBondContact O-CB 3.24Å; W209-A213 PolarHBondContact O-N 3.14Å; W209-I214 HydrophobicContact CH2-CD1 4.3Å; W209-I214 HydrophobicContact CH2-CG1 4.28Å; W209-I214 HydrophobicContact CZ2-CD1 3.88Å; W209-I214 HydrophobicContact CZ2-CG1 4.11Å; W209-L554 HydrophobicContact CZ2-CD1 4.33Å
210	K	89.4	Confident	90.4	Very high	52 Å²	52	24.6 Å²	24.6	23%	0.226	13%	0.125	C	C	.	.	I	π-helix	trans	-59.6	-45.8	177.9	-171	175.5	-175.5	174.9	0	110.9	D167 L206 E207 L212 I214 L215	D167-K210 IonicContact OD2-NZ 2.77Å; D167-K210 PolarHBondContact OD2-NZ 2.9Å; L206-K210 VanDerWaalsContact O-CB 3.31Å; L206-K210 WeakPolarHBondContact O-CB 3.34Å; L206-K210 PolarHBondContact O-N 3.07Å; E207-K210 PolarHBondContact O-N 3.41Å; K210-L212 PolarHBondContact O-N 3.37Å; K210-I214 HydrophobicContact CG-CB 4.49Å; K210-I214 VanDerWaalsContact O-CB 3.31Å; K210-I214 WeakPolarHBondContact O-CB 3.44Å; K210-I214 PolarHBondContact O-N 3.13Å; K210-L215 HydrophobicContact CG-CD1 4.23Å; K210-L215 HydrophobicContact CG-CG 4.42Å; K210-L215 WeakPolarHBondContact O-CG 3.37Å; K210-L215 PolarHBondContact O-N 3.25Å
211	A	89.5	Confident	89.9	Confident	4 Å²	4	23.7 Å²	23.7	3%	0.033	12%	0.124	C	C	.	.	I	π-helix	trans	-61.3	-46.2	178.7	0	0	0	0	0	112.2	E207 T208 W209 H216 L302 L303 L306	E207-A211 VanDerWaalsContact O-CB 3.29Å; E207-A211 WeakPolarHBondContact O-CB 3.45Å; E207-A211 PolarHBondContact O-N 3.43Å; T208-A211 PolarHBondContact O-N 3.05Å; W209-A211 VanDerWaalsContact C-N 3.34Å; W209-A211 PolarHBondContact O-N 3.44Å; A211-H216 VanDerWaalsContact O-CB 3.28Å; A211-H216 WeakPolarHBondContact O-CB 3.46Å; A211-H216 PolarHBondContact O-N 2.9Å; A211-L302 HydrophobicContact CB-CD2 3.74Å; A211-L302 HydrophobicContact CB-CG 4.22Å; A211-L303 HydrophobicContact CB-CD2 4.13Å; A211-L306 HydrophobicContact CB-CD1 3.46Å; A211-L306 VanDerWaalsContact CB-CD1 3.46Å
212	L	92.1	Very high	89.1	Confident	1 Å²	1	23.9 Å²	23.9	1%	0.005	12%	0.121	C	C	.	.	I	π-helix	trans	-84.1	-44.8	-173.4	-67.9	173	0	0	0	114.1	F199 T208 W209 K210 H216 Y219 F246 L277 L281 L303	F199-L212 HydrophobicContact CD1-CD1 4.38Å; F199-L212 HydrophobicContact CE1-CB 4.39Å; T208-L212 HydrophobicContact CG2-CD1 3.67Å; T208-L212 HydrophobicContact CG2-CG 4.39Å; T208-L212 WeakPolarHBondContact O-CB 3.48Å; T208-L212 WeakPolarHBondContact O-CG 3.28Å; T208-L212 PolarHBondContact O-N 3.17Å; W209-L212 PolarHBondContact O-N 3.27Å; K210-L212 PolarHBondContact O-N 3.37Å; L212-H216 VanDerWaalsContact O-CB 3.31Å; L212-H216 WeakPolarHBondContact O-CB 3.31Å; L212-Y219 VanDerWaalsContact O-CB 3.3Å; L212-Y219 WeakPolarHBondContact O-CB 2.98Å; L212-F246 HydrophobicContact CD2-CZ 4.27Å; L212-L277 HydrophobicContact CD1-CB 4.22Å; L212-L277 HydrophobicContact CD1-CD2 4.17Å; L212-L277 HydrophobicContact CD1-CG 4.4Å; L212-L277 HydrophobicContact CD2-CD2 3.99Å; L212-L277 HydrophobicContact CD2-CG 4.17Å; L212-L281 HydrophobicContact CD2-CD1 3.94Å; L212-L303 HydrophobicContact CD2-CD1 4.39Å; L212-L303 HydrophobicContact CD2-CD2 3.72Å; L212-L303 HydrophobicContact CG-CD2 4.31Å
213	A	89.1	Confident	88.5	Confident	1 Å²	1	23.6 Å²	23.6	1%	0.008	12%	0.121	C	C	.	.	I	π-helix	trans	-96.7	-23	-170.8	0	0	0	0	0	113.9	F199 W209 Y219	F199-A213 HydrophobicContact CE1-CB 4Å; F199-A213 HydrophobicContact CZ-CB 4.16Å; W209-A213 WeakPolarHBondContact O-CB 3.24Å; W209-A213 PolarHBondContact O-N 3.14Å; A213-Y219 HydrophobicContact CB-CD1 4.37Å; A213-Y219 HydrophobicContact CB-CE1 4.13Å; A213-Y219 VanDerWaalsContact O-CD1 3.24Å; A213-Y219 WeakPolarHBondContact O-CD1 3.23Å
214	I	85.6	Confident	88.2	Confident	9 Å²	9	19.8 Å²	19.8	5%	0.046	10%	0.102	C	C	.	.	I	π-helix	trans	-105.1	-46.1	-178.3	-50.8	-62.6	0	0	0	111.7	A174 W209 K210 L549 Y551 L554	A174-I214 HydrophobicContact CB-CD1 4.41Å; W209-I214 HydrophobicContact CH2-CD1 4.3Å; W209-I214 HydrophobicContact CH2-CG1 4.28Å; W209-I214 HydrophobicContact CZ2-CD1 3.88Å; W209-I214 HydrophobicContact CZ2-CG1 4.11Å; K210-I214 HydrophobicContact CG-CB 4.49Å; K210-I214 VanDerWaalsContact O-CB 3.31Å; K210-I214 WeakPolarHBondContact O-CB 3.44Å; K210-I214 PolarHBondContact O-N 3.13Å; I214-L549 HydrophobicContact CG2-CB 4.17Å; I214-L549 HydrophobicContact CG2-CD2 3.98Å; I214-Y551 HydrophobicContact CD1-CD1 3.72Å; I214-Y551 HydrophobicContact CD1-CE1 3.83Å; I214-Y551 HydrophobicContact CG1-CE1 4.37Å; I214-Y551 HydrophobicContact CG2-CD1 4.41Å; I214-Y551 HydrophobicContact CG2-CE1 4.14Å; I214-L554 HydrophobicContact CD1-CD1 3.22Å; I214-L554 HydrophobicContact CD1-CG 4.44Å
215	L	86.6	Confident	88	Confident	79 Å²	79	24.2 Å²	24.2	41%	0.414	12%	0.118	S	C	.	.	I	π-helix	trans	-96.1	-29.4	-170.3	-61.1	177.1	0	0	0	113.4	K210 P217 L302 L549	K210-L215 HydrophobicContact CG-CD1 4.23Å; K210-L215 HydrophobicContact CG-CG 4.42Å; K210-L215 WeakPolarHBondContact O-CG 3.37Å; K210-L215 PolarHBondContact O-N 3.25Å; L215-P217 WeakPolarHBondContact O-CD 3.31Å; L215-L302 HydrophobicContact CD1-CD2 4.07Å; L215-L549 HydrophobicContact CD2-CD2 3.63Å
216	H	89.1	Confident	87.5	Confident	16 Å²	16	26.5 Å²	26.5	7%	0.074	13%	0.13	C	C	.	.			trans	-74.9	120.6	-170.3	-161.3	-80.2	0	0	0	112.5	A211 L212 G218 Y219 Y244 F246	A211-H216 VanDerWaalsContact O-CB 3.28Å; A211-H216 WeakPolarHBondContact O-CB 3.46Å; A211-H216 PolarHBondContact O-N 2.9Å; L212-H216 VanDerWaalsContact O-CB 3.31Å; L212-H216 WeakPolarHBondContact O-CB 3.31Å; H216-G218 WeakPolarHBondContact ND1-CA 3.4Å; H216-G218 PolarHBondContact ND1-N 2.9Å; H216-G218 PolarHBondContact O-N 2.91Å; H216-G218 VanDerWaalsContact O-N 3.14Å; H216-Y219 PolarHBondContact O-N 3.26Å; H216-Y219 VanDerWaalsContact O-N 3.12Å; H216-Y244 AromaticContact CE1-CE2 3.86Å; H216-Y244 AromaticContact CE1-CZ 3.81Å; H216-Y244 PolarHBondContact CE1-OH 3.15Å; H216-Y244 PolarHBondContact NE2-OH 3.37Å; H216-F246 HydrophobicContact CB-CE1 4.4Å; H216-F246 HydrophobicContact CB-CZ 3.92Å; H216-F246 AromaticContact CE1-CE1 3.48Å; H216-F246 VanDerWaalsContact CE1-CE1 3.48Å; H216-F246 WeakPolarHBondContact CE1-CE1 3.36Å; H216-F246 AromaticContact CG-CE1 3.74Å; H216-F246 AromaticContact CG-CZ 3.74Å; H216-F246 AromaticContact ND1-CE1 3.16Å; H216-F246 WeakPolarHBondContact ND1-CE1 3Å; H216-F246 AromaticContact ND1-CZ 3.56Å
217	P	90.1	Very high	87.2	Confident	30 Å²	30	29.3 Å²	29.3	20%	0.195	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-20.6	-176.2	21.4	-28.6	0	0	0	114.3	L215 P293 N294 K296 P299	L215-P217 WeakPolarHBondContact O-CD 3.31Å; P217-P293 HydrophobicContact CB-CB 4.47Å; P217-P293 HydrophobicContact CG-CB 3.88Å; P217-P293 HydrophobicContact CG-CG 3.76Å; P217-N294 WeakPolarHBondContact O-CB 3.24Å; P217-K296 HydrophobicContact CB-CD 4.06Å; P217-P299 HydrophobicContact CG-CG 4.47Å
218	G	92.1	Very high	87.2	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-11.6	176.6	0	0	0	0	0	114.8	H216 I245 F246	H216-G218 WeakPolarHBondContact ND1-CA 3.4Å; H216-G218 PolarHBondContact ND1-N 2.9Å; H216-G218 PolarHBondContact O-N 2.91Å; H216-G218 VanDerWaalsContact O-N 3.14Å; G218-I245 CarbonylContact O-C 3.58Å; G218-I245 VanDerWaalsContact O-CA 3.28Å; G218-I245 WeakPolarHBondContact O-CA 3.32Å; G218-I245 WeakPolarHBondContact O-CB 3.36Å; G218-F246 PolarHBondContact O-N 3.29Å
219	Y	92.3	Very high	87.2	Confident	6 Å²	6	29.9 Å²	29.9	2%	0.024	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-73.9	132.7	179.8	178.2	-118.2	0	0	0	111.6	L212 A213 H216 A221 F246 W256 L554	L212-Y219 VanDerWaalsContact O-CB 3.3Å; L212-Y219 WeakPolarHBondContact O-CB 2.98Å; A213-Y219 HydrophobicContact CB-CD1 4.37Å; A213-Y219 HydrophobicContact CB-CE1 4.13Å; A213-Y219 VanDerWaalsContact O-CD1 3.24Å; A213-Y219 WeakPolarHBondContact O-CD1 3.23Å; H216-Y219 PolarHBondContact O-N 3.26Å; H216-Y219 VanDerWaalsContact O-N 3.12Å; Y219-A221 HydrophobicContact CE1-CB 3.86Å; Y219-F246 AromaticContact CD2-CD2 3.83Å; Y219-F246 HydrophobicContact CD2-CD2 3.83Å; Y219-F246 AromaticContact CD2-CE2 3.53Å; Y219-F246 HydrophobicContact CD2-CE2 3.53Å; Y219-F246 AromaticContact CG-CE2 3.96Å; Y219-F246 HydrophobicContact CG-CE2 3.96Å; Y219-W256 HydrophobicContact CD2-CH2 4.44Å; Y219-W256 AromaticContact CD2-CZ3 3.92Å; Y219-W256 HydrophobicContact CD2-CZ3 3.92Å; Y219-W256 HydrophobicContact CE2-CH2 4.14Å; Y219-W256 AromaticContact CE2-CZ3 3.72Å; Y219-W256 HydrophobicContact CE2-CZ3 3.72Å; Y219-L554 HydrophobicContact CE1-CD2 3.76Å
220	M	87.9	Confident	87	Confident	19 Å²	19	31.4 Å²	31.4	9%	0.094	16%	0.16	C	C	.	.			trans	-131.4	96.7	-179.9	-66.7	-62.3	152.9	0	0	109.6	M223 I245 F246 R247 N294	M220-M223 HydrophobicContact CB-CB 4.28Å; M220-M223 HydrophobicContact CB-CE 3.73Å; M220-M223 HydrophobicContact CB-SD 3.94Å; M220-M223 HydrophobicContact CG-CE 3.94Å; M220-M223 HydrophobicContact CG-SD 4.21Å; M220-M223 HydrophobicContact SD-CE 3.92Å; M220-I245 HydrophobicContact CE-CG2 4.07Å; M220-I245 HydrophobicContact CG-CB 3.91Å; M220-I245 HydrophobicContact CG-CD1 4.04Å; M220-I245 HydrophobicContact CG-CG2 4.07Å; M220-F246 PolarHBondContact N-O 2.88Å; M220-R247 VanDerWaalsContact O-CB 3.23Å; M220-R247 WeakPolarHBondContact O-CB 3.37Å; M220-N294 HydrophobicContact CE-CB 3.78Å; M220-N294 WeakPolarHBondContact CE-ND2 3.26Å
221	A	82.1	Confident	87.1	Confident	15 Å²	15	30.2 Å²	30.2	12%	0.124	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	150.3	175.5	0	0	0	0	0	111.9	Y219 M223 Q553	Y219-A221 HydrophobicContact CE1-CB 3.86Å; A221-M223 PolarHBondContact O-N 2.65Å; A221-M223 VanDerWaalsContact O-N 3.09Å; A221-Q553 HydrophobicContact CB-CB 4.3Å; A221-Q553 WeakPolarHBondContact CB-O 3.46Å
222	F	73.5	Confident	87.4	Confident	39 Å²	39	30 Å²	30	17%	0.171	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	33	172.9	-50.7	-71.2	0	0	0	115.9	F100 K104 L107 L556	F100-F222 HydrophobicContact CZ-CB 4.29Å; K104-F222 HydrophobicContact CG-CD1 4.42Å; L107-F222 HydrophobicContact CD1-CB 3.94Å; L107-F222 HydrophobicContact CD1-CD1 3.62Å; L107-F222 HydrophobicContact CD1-CG 4.28Å; F222-L556 HydrophobicContact CD1-CD2 4.39Å; F222-L556 HydrophobicContact CE1-CD2 3.38Å; F222-L556 HydrophobicContact CE1-CG 4.31Å; F222-L556 HydrophobicContact CE2-CD2 3.97Å; F222-L556 HydrophobicContact CE2-CG 4.48Å; F222-L556 HydrophobicContact CZ-CD1 4.15Å; F222-L556 HydrophobicContact CZ-CD2 3.13Å; F222-L556 HydrophobicContact CZ-CG 3.68Å
223	M	79.1	Confident	87.5	Confident	29 Å²	29	36.1 Å²	36.1	14%	0.143	18%	0.182	C	C	.	.			trans	-100.8	138.6	-177.6	-161.2	167.1	-70.2	0	0	111.8	M220 A221 Q227 V228 V231 I245 R247	M220-M223 HydrophobicContact CB-CB 4.28Å; M220-M223 HydrophobicContact CB-CE 3.73Å; M220-M223 HydrophobicContact CB-SD 3.94Å; M220-M223 HydrophobicContact CG-CE 3.94Å; M220-M223 HydrophobicContact CG-SD 4.21Å; M220-M223 HydrophobicContact SD-CE 3.92Å; A221-M223 PolarHBondContact O-N 2.65Å; A221-M223 VanDerWaalsContact O-N 3.09Å; M223-Q227 HydrophobicContact CG-CB 3.33Å; M223-Q227 HydrophobicContact CG-CG 4.45Å; M223-Q227 HydrophobicContact SD-CB 4.11Å; M223-V228 HydrophobicContact CB-CG2 4.45Å; M223-V228 HydrophobicContact CG-CG2 3.91Å; M223-V228 HydrophobicContact SD-CG2 3.86Å; M223-V231 HydrophobicContact CE-CG2 4.06Å; M223-V231 HydrophobicContact SD-CG2 3.98Å; M223-I245 HydrophobicContact SD-CD1 3.95Å; M223-R247 WeakPolarHBondContact O-CD 3.38Å; M223-R247 PolarHBondContact O-NE 3.31Å; M223-R247 PolarHBondContact O-NH1 3.11Å
224	T	81.4	Confident	87.7	Confident	14 Å²	14	45.5 Å²	45.5	9%	0.086	22%	0.217	C	C	.	.			trans	-90.4	169.9	174	71.3	0	0	0	0	112	I103 D226 Q227 V228	I103-T224 HydrophobicContact CG2-CG2 4.41Å; T224-D226 PolarHBondContact O-N 3.02Å; T224-Q227 PolarHBondContact O-N 3.36Å; T224-Q227 PolarHBondContact OG1-N 3.49Å; T224-Q227 PolarHBondContact OG1-OE1 2.88Å; T224-V228 WeakPolarHBondContact O-CG2 3.47Å; T224-V228 PolarHBondContact O-N 3.3Å
225	Y	85.4	Confident	88.1	Confident	112 Å²	112	47.8 Å²	47.8	44%	0.439	23%	0.226	S	C	.	.	H	α-helix	trans	-54.8	-41.9	176	177.3	-89.9	0	0	0	112.2	K229 R247 Q269	Y225-K229 PolarHBondContact O-N 2.88Å; Y225-R247 VanDerWaalsContact CA-NH2 3.33Å; Y225-Q269 HydrophobicContact CD2-CB 4.26Å; Y225-Q269 HydrophobicContact CD2-CG 4.25Å; Y225-Q269 VanDerWaalsContact CD2-OE1 3.26Å; Y225-Q269 HydrophobicContact CE2-CB 3.92Å; Y225-Q269 VanDerWaalsContact CE2-CD 3.49Å; Y225-Q269 HydrophobicContact CE2-CG 4.07Å; Y225-Q269 PolarHBondContact O-NE2 3.29Å
226	D	84.2	Confident	88.2	Confident	50 Å²	50	45.6 Å²	45.6	27%	0.267	22%	0.217	S	C	.	.	H	α-helix	trans	-68.6	-38.5	-179.7	-70.7	-37.7	0	0	0	112.5	K29 S31 T224 K229 G230	K29-D226 WeakPolarHBondContact CD-OD2 3.48Å; S31-D226 WeakPolarHBondContact CB-OD2 3.39Å; S31-D226 PolarHBondContact OG-OD2 2.93Å; T224-D226 PolarHBondContact O-N 3.02Å; D226-K229 PolarHBondContact O-N 3.15Å; D226-G230 PolarHBondContact O-N 3.19Å
227	Q	85.8	Confident	88.1	Confident	62 Å²	62	51.2 Å²	51.2	29%	0.29	25%	0.253	S	S	.	.	H	α-helix	trans	-69	-40.6	178.6	-71.4	171.7	-44.5	0	0	111.2	M223 T224 K229 G230 V231	M223-Q227 HydrophobicContact CG-CB 3.33Å; M223-Q227 HydrophobicContact CG-CG 4.45Å; M223-Q227 HydrophobicContact SD-CB 4.11Å; T224-Q227 PolarHBondContact O-N 3.36Å; T224-Q227 PolarHBondContact OG1-N 3.49Å; T224-Q227 PolarHBondContact OG1-OE1 2.88Å; Q227-K229 VanDerWaalsContact C-N 3.29Å; Q227-K229 PolarHBondContact O-N 3.27Å; Q227-G230 WeakPolarHBondContact O-CA 3.3Å; Q227-G230 PolarHBondContact O-N 3.08Å; Q227-V231 WeakPolarHBondContact O-CG2 3.29Å; Q227-V231 PolarHBondContact O-N 2.94Å
228	V	90.5	Very high	88.1	Confident	2 Å²	2	57.1 Å²	57.1	1%	0.012	28%	0.277	C	S	.	.	H	α-helix	trans	-55.7	-46.8	172.7	166.7	0	0	0	0	110.7	M223 T224 G230 V231 L232 I245 R247 Q269	M223-V228 HydrophobicContact CB-CG2 4.45Å; M223-V228 HydrophobicContact CG-CG2 3.91Å; M223-V228 HydrophobicContact SD-CG2 3.86Å; T224-V228 WeakPolarHBondContact O-CG2 3.47Å; T224-V228 PolarHBondContact O-N 3.3Å; V228-G230 VanDerWaalsContact C-N 3.29Å; V228-G230 PolarHBondContact O-N 3.45Å; V228-V231 PolarHBondContact O-N 3.49Å; V228-L232 HydrophobicContact CG1-CD1 3.79Å; V228-L232 PolarHBondContact O-N 2.77Å; V228-I245 HydrophobicContact CB-CD1 4.11Å; V228-I245 HydrophobicContact CG1-CD1 3.88Å; V228-I245 HydrophobicContact CG1-CG1 4.05Å; V228-I245 HydrophobicContact CG2-CD1 3.96Å; V228-R247 HydrophobicContact CG2-CG 4.33Å; V228-Q269 VanDerWaalsContact CG1-CD 3.47Å; V228-Q269 HydrophobicContact CG1-CG 3.86Å
229	K	91.3	Very high	88.1	Confident	87 Å²	87	58.6 Å²	58.6	38%	0.378	29%	0.287	S	S	.	.	H	α-helix	trans	-61.4	-38.2	175.7	-170.5	175	-176	172.7	0	111.9	Y225 D226 Q227 K233 I267	Y225-K229 PolarHBondContact O-N 2.88Å; D226-K229 PolarHBondContact O-N 3.15Å; Q227-K229 VanDerWaalsContact C-N 3.29Å; Q227-K229 PolarHBondContact O-N 3.27Å; K229-K233 WeakPolarHBondContact O-CB 3.31Å; K229-K233 WeakPolarHBondContact O-CG 3.31Å; K229-K233 PolarHBondContact O-N 3.01Å; K229-K233 VanDerWaalsContact O-N 3.15Å; K229-I267 HydrophobicContact CG-CD1 4.26Å; K229-I267 HydrophobicContact CG-CG2 4.44Å
230	G	90.6	Very high	88.1	Confident	33 Å²	33	58.4 Å²	58.4	34%	0.34	29%	0.286	S	S	.	.	H	α-helix	trans	-64	-40.7	175.9	0	0	0	0	0	113.8	D226 Q227 V228	D226-G230 PolarHBondContact O-N 3.19Å; Q227-G230 WeakPolarHBondContact O-CA 3.3Å; Q227-G230 PolarHBondContact O-N 3.08Å; V228-G230 VanDerWaalsContact C-N 3.29Å; V228-G230 PolarHBondContact O-N 3.45Å
231	V	91.1	Very high	88.4	Confident	27 Å²	27	59.8 Å²	59.8	16%	0.164	30%	0.297	C	S	.	.	H	α-helix	trans	-67.8	-53	177	173.6	0	0	0	0	110.6	M223 Q227 V228 K233 R234 Y235 I245	M223-V231 HydrophobicContact CE-CG2 4.06Å; M223-V231 HydrophobicContact SD-CG2 3.98Å; Q227-V231 WeakPolarHBondContact O-CG2 3.29Å; Q227-V231 PolarHBondContact O-N 2.94Å; V228-V231 PolarHBondContact O-N 3.49Å; V231-K233 VanDerWaalsContact C-N 3.29Å; V231-K233 PolarHBondContact O-N 2.78Å; V231-R234 WeakPolarHBondContact O-CB 3.31Å; V231-R234 PolarHBondContact O-N 3.12Å; V231-R234 VanDerWaalsContact O-N 3.14Å; V231-Y235 HydrophobicContact CG1-CE2 4.18Å; V231-I245 HydrophobicContact CB-CD1 3.97Å; V231-I245 HydrophobicContact CG1-CD1 3.96Å
232	L	95.1	Very high	89	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-65.3	-29.7	-175.2	-69.3	171.4	0	0	0	113.3	V228 R234 Y235 T243 I245 I261 I267	V228-L232 HydrophobicContact CG1-CD1 3.79Å; V228-L232 PolarHBondContact O-N 2.77Å; L232-R234 PolarHBondContact O-N 3.11Å; L232-Y235 PolarHBondContact O-N 3.02Å; L232-T243 HydrophobicContact CD2-CG2 4.07Å; L232-I245 HydrophobicContact CD1-CG1 4.23Å; L232-I245 HydrophobicContact CD2-CG1 4.13Å; L232-I245 HydrophobicContact CG-CD1 4.3Å; L232-I245 HydrophobicContact CG-CG1 4.1Å; L232-I261 HydrophobicContact CB-CG1 4.33Å; L232-I261 HydrophobicContact CD2-CG1 4.4Å; L232-I261 WeakPolarHBondContact O-CD1 3.45Å; L232-I267 HydrophobicContact CB-CD1 3.87Å; L232-I267 HydrophobicContact CB-CG1 4.05Å; L232-I267 HydrophobicContact CB-CG2 4.13Å; L232-I267 HydrophobicContact CD1-CG2 3.74Å
233	K	94.4	Very high	90.1	Very high	129 Å²	129	57.4 Å²	57.4	56%	0.561	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-53.1	-30	173.9	-87.1	175	178.4	-173.9	0	113.6	K229 V231 Y235 I267	K229-K233 WeakPolarHBondContact O-CB 3.31Å; K229-K233 WeakPolarHBondContact O-CG 3.31Å; K229-K233 PolarHBondContact O-N 3.01Å; K229-K233 VanDerWaalsContact O-N 3.15Å; V231-K233 VanDerWaalsContact C-N 3.29Å; V231-K233 PolarHBondContact O-N 2.78Å; K233-Y235 PolarHBondContact O-N 2.95Å; K233-I267 HydrophobicContact CB-CD1 4.27Å; K233-I267 HydrophobicContact CG-CD1 3.59Å
234	R	93.2	Very high	90.9	Very high	197 Å²	197	56 Å²	56	74%	0.743	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-71.6	-20.9	-179.5	-58.2	178.9	-173.2	-179.2	0.4	112.8	V231 L232	V231-R234 WeakPolarHBondContact O-CB 3.31Å; V231-R234 PolarHBondContact O-N 3.12Å; V231-R234 VanDerWaalsContact O-N 3.14Å; L232-R234 PolarHBondContact O-N 3.11Å
235	Y	94.1	Very high	91.6	Very high	57 Å²	57	55.4 Å²	55.4	22%	0.224	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-105.8	6.5	-175.4	-59.5	-70.5	0	0	0	113.2	V231 L232 K233 T237 H238 G240 T243 N294	V231-Y235 HydrophobicContact CG1-CE2 4.18Å; L232-Y235 PolarHBondContact O-N 3.02Å; K233-Y235 PolarHBondContact O-N 2.95Å; Y235-T237 PolarHBondContact O-N 3.05Å; Y235-H238 WeakPolarHBondContact CA-O 3.33Å; Y235-G240 WeakPolarHBondContact O-CA 3.12Å; Y235-G240 PolarHBondContact O-N 2.92Å; Y235-T243 HydrophobicContact CD2-CG2 3.91Å; Y235-T243 HydrophobicContact CG-CG2 3.8Å; Y235-N294 PolarHBondContact OH-O 2.89Å
236	C	90.2	Very high	92.1	Very high	34 Å²	34	50.1 Å²	50.1	23%	0.23	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-27.4	178.5	-72.7	0	0	0	0	113.4	L265	C236-L265 WeakPolarHBondContact O-CD2 3.07Å
237	T	86.5	Confident	92.5	Very high	134 Å²	134	48.6 Å²	48.6	82%	0.822	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-43.2	178	51.7	0	0	0	0	112.4	Y235	Y235-T237 PolarHBondContact O-N 3.05Å
238	H	89	Confident	92.8	Very high	154 Å²	154	48.3 Å²	48.3	71%	0.713	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-149.1	128.9	179.2	-173.7	73.7	0	0	0	110.9	Y235 G240	Y235-H238 WeakPolarHBondContact CA-O 3.33Å; H238-G240 VanDerWaalsContact C-N 3.29Å
239	P	92.1	Very high	92.8	Very high	30 Å²	30	48.5 Å²	48.5	20%	0.195	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	cis	-76.8	-6.6	1.1	29.6	-30.5	0	0	0	114	T243 Y292	P239-T243 WeakPolarHBondContact CG-OG1 3.23Å; P239-Y292 HydrophobicContact CB-CD1 4.05Å; P239-Y292 HydrophobicContact CB-CD2 3.83Å; P239-Y292 HydrophobicContact CB-CE1 4.24Å; P239-Y292 HydrophobicContact CB-CE2 4.03Å; P239-Y292 HydrophobicContact CB-CG 3.84Å; P239-Y292 HydrophobicContact CG-CD1 4.07Å; P239-Y292 HydrophobicContact CG-CD2 3.75Å; P239-Y292 HydrophobicContact CG-CE2 4.46Å; P239-Y292 HydrophobicContact CG-CG 3.53Å
240	G	92.1	Very high	92.4	Very high	2 Å²	2	45 Å²	45	2%	0.021	23%	0.232	C	C	.	.			trans	90.1	-142.2	172.6	0	0	0	0	0	113.4	Y235 H238 T243	Y235-G240 WeakPolarHBondContact O-CA 3.12Å; Y235-G240 PolarHBondContact O-N 2.92Å; H238-G240 VanDerWaalsContact C-N 3.29Å; G240-T243 WeakPolarHBondContact O-CB 3.33Å; G240-T243 PolarHBondContact O-N 2.9Å; G240-T243 PolarHBondContact O-OG1 3.34Å
241	P	95	Very high	92.1	Very high	49 Å²	49	47.7 Å²	47.7	32%	0.318	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	142.7	178.1	-27.8	35.4	0	0	0	113	T243 L265 Y292	P241-T243 VanDerWaalsContact C-N 3.29Å; P241-L265 HydrophobicContact CG-CD2 3.81Å; P241-Y292 VanDerWaalsContact O-CE2 3.26Å; P241-Y292 WeakPolarHBondContact O-CE2 3.16Å
242	G	94.2	Very high	91.9	Very high	3 Å²	3	50.4 Å²	50.4	3%	0.031	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.1	-7	-176.5	0	0	0	0	0	114.3	Y244 I261 F289 L291 Y292	G242-Y244 PolarHBondContact O-N 3.3Å; G242-I261 PolarHBondContact N-O 2.81Å; G242-F289 WeakPolarHBondContact CA-O 3.32Å; G242-L291 PolarHBondContact O-N 3.03Å; G242-Y292 PolarHBondContact O-N 2.86Å
243	T	96.6	Very high	91.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	130.1	170.9	-53.6	0	0	0	0	110	L232 Y235 P239 G240 P241 Y260 I261 Y292	L232-T243 HydrophobicContact CD2-CG2 4.07Å; Y235-T243 HydrophobicContact CD2-CG2 3.91Å; Y235-T243 HydrophobicContact CG-CG2 3.8Å; P239-T243 WeakPolarHBondContact CG-OG1 3.23Å; G240-T243 WeakPolarHBondContact O-CB 3.33Å; G240-T243 PolarHBondContact O-N 2.9Å; G240-T243 PolarHBondContact O-OG1 3.34Å; P241-T243 VanDerWaalsContact C-N 3.29Å; T243-Y260 CarbonylContact O-C 3.5Å; T243-Y260 WeakPolarHBondContact O-CA 3.22Å; T243-I261 PolarHBondContact O-N 2.93Å; T243-Y292 WeakPolarHBondContact CA-O 3.15Å; T243-Y292 WeakPolarHBondContact CG2-O 3.2Å
244	Y	96.7	Very high	91.4	Very high	1 Å²	1	45.6 Å²	45.6	0%	0.004	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	157.2	-177.8	76.4	-80.7	0	0	0	113.4	H216 G242 F246 I258 G259 L281 Y290 Y292 P293 N294	H216-Y244 AromaticContact CE1-CE2 3.86Å; H216-Y244 AromaticContact CE1-CZ 3.81Å; H216-Y244 PolarHBondContact CE1-OH 3.15Å; H216-Y244 PolarHBondContact NE2-OH 3.37Å; G242-Y244 PolarHBondContact O-N 3.3Å; Y244-F246 HydrophobicContact CD2-CD1 4.39Å; Y244-F246 HydrophobicContact CE2-CD1 4.04Å; Y244-F246 HydrophobicContact CE2-CE1 4.37Å; Y244-I258 HydrophobicContact CD2-CG2 4.25Å; Y244-G259 CarbonylContact C-O 3.52Å; Y244-G259 WeakPolarHBondContact CA-O 3.39Å; Y244-G259 WeakPolarHBondContact CB-O 3.37Å; Y244-L281 HydrophobicContact CD2-CD2 4.07Å; Y244-L281 HydrophobicContact CE2-CD2 3.4Å; Y244-Y290 VanDerWaalsContact CD1-CA 3.45Å; Y244-Y290 HydrophobicContact CD1-CD1 4.47Å; Y244-Y290 HydrophobicContact CD1-CG 4.42Å; Y244-Y290 HydrophobicContact CD2-CD1 4.49Å; Y244-Y290 WeakPolarHBondContact CE1-O 3.14Å; Y244-Y290 HydrophobicContact CG-CD1 4.09Å; Y244-Y290 HydrophobicContact CG-CG 4.3Å; Y244-Y292 PolarHBondContact N-O 2.99Å; Y244-Y292 VanDerWaalsContact N-O 3.11Å; Y244-P293 HydrophobicContact CE1-CB 3.83Å; Y244-P293 HydrophobicContact CE1-CG 4.32Å; Y244-P293 HydrophobicContact CE2-CB 4.3Å; Y244-P293 WeakPolarHBondContact O-CA 3.15Å; Y244-N294 PolarHBondContact O-N 3.21Å
245	I	96	Very high	91.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	156.4	166.5	56.4	172	0	0	0	108.8	G218 M220 M223 V228 V231 L232 G259 N294	G218-I245 CarbonylContact O-C 3.58Å; G218-I245 VanDerWaalsContact O-CA 3.28Å; G218-I245 WeakPolarHBondContact O-CA 3.32Å; G218-I245 WeakPolarHBondContact O-CB 3.36Å; M220-I245 HydrophobicContact CE-CG2 4.07Å; M220-I245 HydrophobicContact CG-CB 3.91Å; M220-I245 HydrophobicContact CG-CD1 4.04Å; M220-I245 HydrophobicContact CG-CG2 4.07Å; M223-I245 HydrophobicContact SD-CD1 3.95Å; V228-I245 HydrophobicContact CB-CD1 4.11Å; V228-I245 HydrophobicContact CG1-CD1 3.88Å; V228-I245 HydrophobicContact CG1-CG1 4.05Å; V228-I245 HydrophobicContact CG2-CD1 3.96Å; V231-I245 HydrophobicContact CB-CD1 3.97Å; V231-I245 HydrophobicContact CG1-CD1 3.96Å; L232-I245 HydrophobicContact CD1-CG1 4.23Å; L232-I245 HydrophobicContact CD2-CG1 4.13Å; L232-I245 HydrophobicContact CG-CD1 4.3Å; L232-I245 HydrophobicContact CG-CG1 4.1Å; I245-G259 PolarHBondContact N-O 2.77Å; I245-G259 PolarHBondContact O-N 3.48Å; I245-G259 VanDerWaalsContact O-O 3.1Å; I245-N294 HydrophobicContact CG2-CB 3.97Å
246	F	95.2	Very high	91.4	Very high	1 Å²	1	35.3 Å²	35.3	0%	0.004	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	157.9	175.7	63.3	-100.8	0	0	0	112.1	L212 H216 G218 Y219 M220 Y244 W256 A257 I258 L277 L281	L212-F246 HydrophobicContact CD2-CZ 4.27Å; H216-F246 HydrophobicContact CB-CE1 4.4Å; H216-F246 HydrophobicContact CB-CZ 3.92Å; H216-F246 AromaticContact CE1-CE1 3.48Å; H216-F246 VanDerWaalsContact CE1-CE1 3.48Å; H216-F246 WeakPolarHBondContact CE1-CE1 3.36Å; H216-F246 AromaticContact CG-CE1 3.74Å; H216-F246 AromaticContact CG-CZ 3.74Å; H216-F246 AromaticContact ND1-CE1 3.16Å; H216-F246 WeakPolarHBondContact ND1-CE1 3Å; H216-F246 AromaticContact ND1-CZ 3.56Å; G218-F246 PolarHBondContact O-N 3.29Å; Y219-F246 AromaticContact CD2-CD2 3.83Å; Y219-F246 HydrophobicContact CD2-CD2 3.83Å; Y219-F246 AromaticContact CD2-CE2 3.53Å; Y219-F246 HydrophobicContact CD2-CE2 3.53Å; Y219-F246 AromaticContact CG-CE2 3.96Å; Y219-F246 HydrophobicContact CG-CE2 3.96Å; M220-F246 PolarHBondContact N-O 2.88Å; Y244-F246 HydrophobicContact CD2-CD1 4.39Å; Y244-F246 HydrophobicContact CE2-CD1 4.04Å; Y244-F246 HydrophobicContact CE2-CE1 4.37Å; F246-W256 AromaticContact CD2-CE3 3.84Å; F246-W256 HydrophobicContact CD2-CE3 3.84Å; F246-W256 AromaticContact CD2-CZ3 3.75Å; F246-W256 HydrophobicContact CD2-CZ3 3.75Å; F246-W256 HydrophobicContact CE2-CE3 4.4Å; F246-W256 AromaticContact CE2-CZ3 3.95Å; F246-W256 HydrophobicContact CE2-CZ3 3.95Å; F246-A257 CarbonylContact C-O 3.53Å; F246-A257 VanDerWaalsContact CA-O 3.26Å; F246-A257 WeakPolarHBondContact CA-O 3.39Å; F246-I258 HydrophobicContact CB-CB 4.41Å; F246-I258 HydrophobicContact CB-CG1 3.92Å; F246-L277 HydrophobicContact CD1-CD2 4.43Å; F246-L277 HydrophobicContact CD2-CD2 3.45Å; F246-L277 VanDerWaalsContact CD2-CD2 3.45Å; F246-L277 HydrophobicContact CE1-CD2 4.4Å; F246-L277 HydrophobicContact CE2-CD2 3.47Å; F246-L277 VanDerWaalsContact CE2-CD2 3.47Å; F246-L277 HydrophobicContact CG-CD1 4.45Å; F246-L277 HydrophobicContact CG-CD2 3.97Å; F246-L277 HydrophobicContact CZ-CD2 3.98Å; F246-L281 HydrophobicContact CD1-CD1 4.12Å; F246-L281 HydrophobicContact CD1-CD2 4.25Å; F246-L281 HydrophobicContact CE1-CD1 3.63Å; F246-L281 HydrophobicContact CE1-CD2 4.49Å; F246-L281 HydrophobicContact CZ-CD1 4.26Å
247	R	93	Very high	91.6	Very high	19 Å²	19	33.9 Å²	33.9	7%	0.072	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	167.3	-175	58.6	170.3	-179.6	118.3	7.5	110.8	M220 M223 Y225 V228 C250 A257 Q269	M220-R247 VanDerWaalsContact O-CB 3.23Å; M220-R247 WeakPolarHBondContact O-CB 3.37Å; M223-R247 WeakPolarHBondContact O-CD 3.38Å; M223-R247 PolarHBondContact O-NE 3.31Å; M223-R247 PolarHBondContact O-NH1 3.11Å; Y225-R247 VanDerWaalsContact CA-NH2 3.33Å; V228-R247 HydrophobicContact CG2-CG 4.33Å; R247-C250 PolarHBondContact NH1-SG 3.41Å; R247-A257 HydrophobicContact CG-CB 4.2Å; R247-A257 PolarHBondContact N-O 3.46Å; R247-A257 PolarHBondContact O-N 3.12Å; R247-Q269 VanDerWaalsContact NH2-OE1 3.17Å
248	L	91.7	Very high	92.1	Very high	55 Å²	55	27.5 Å²	27.5	29%	0.288	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	141.7	165.4	-55.1	-177.6	0	0	0	109.8	L198 W256	L198-L248 HydrophobicContact CD1-CD1 4.49Å; L198-L248 HydrophobicContact CD1-CD2 3.55Å; L198-L248 HydrophobicContact CD2-CD2 3.56Å; L198-L248 HydrophobicContact CG-CD2 4.12Å; L248-W256 HydrophobicContact CD2-CD2 4.34Å; L248-W256 HydrophobicContact CD2-CE3 3.93Å; L248-W256 HydrophobicContact CD2-CH2 3.72Å; L248-W256 HydrophobicContact CD2-CZ2 4.14Å; L248-W256 HydrophobicContact CD2-CZ3 3.61Å; L248-W256 HydrophobicContact CG-CZ3 4.46Å
249	S	90.4	Very high	92.4	Very high	6 Å²	6	20.2 Å²	20.2	4%	0.042	11%	0.114	C	C	.	.			trans	-75.8	125.8	173.3	179.3	0	0	0	0	110.7	T251 K252 Q255	S249-T251 VanDerWaalsContact C-N 3.26Å; S249-T251 PolarHBondContact O-N 2.72Å; S249-T251 PolarHBondContact OG-N 2.7Å; S249-T251 PolarHBondContact OG-OG1 3.11Å; S249-K252 WeakPolarHBondContact CB-O 3.38Å; S249-K252 PolarHBondContact OG-N 3.44Å; S249-K252 VanDerWaalsContact OG-N 3.11Å; S249-Q255 WeakPolarHBondContact CB-O 3.44Å; S249-Q255 PolarHBondContact N-O 2.77Å
250	C	83.3	Confident	92.7	Very high	14 Å²	14	20.5 Å²	20.5	10%	0.095	11%	0.111	C	C	.	.	S	Bend	trans	-72.4	-19.2	175.5	-49.3	0	0	0	0	113.3	P32 L107 R247	P32-C250 HydrophobicContact CB-CB 4.31Å; L107-C250 HydrophobicContact CD2-CB 4.21Å; R247-C250 PolarHBondContact NH1-SG 3.41Å
251	T	84.5	Confident	92.9	Very high	89 Å²	89	20.5 Å²	20.5	55%	0.546	11%	0.111	S	C	.	.	S	Bend	trans	-111.1	-13.5	-173.9	55.4	0	0	0	0	113.3	P32 S249	P32-T251 HydrophobicContact CB-CG2 3.69Å; P32-T251 HydrophobicContact CG-CG2 3.71Å; S249-T251 VanDerWaalsContact C-N 3.26Å; S249-T251 PolarHBondContact O-N 2.72Å; S249-T251 PolarHBondContact OG-N 2.7Å; S249-T251 PolarHBondContact OG-OG1 3.11Å
252	K	86.5	Confident	93	Very high	84 Å²	84	18.9 Å²	18.9	37%	0.365	10%	0.1	S	C	.	.	S	Bend	trans	-136.3	81.2	178	-62.8	-168.4	-178.7	-176.7	0	109.1	S249 G254 Q255 I271	S249-K252 WeakPolarHBondContact CB-O 3.38Å; S249-K252 PolarHBondContact OG-N 3.44Å; S249-K252 VanDerWaalsContact OG-N 3.11Å; K252-G254 PolarHBondContact O-N 3.12Å; K252-Q255 HydrophobicContact CB-CB 4.23Å; K252-Q255 HydrophobicContact CB-CG 4.31Å; K252-Q255 WeakPolarHBondContact O-CB 3.18Å; K252-Q255 PolarHBondContact O-N 3.41Å; K252-I271 HydrophobicContact CD-CD1 3.92Å; K252-I271 HydrophobicContact CD-CG2 4.4Å; K252-I271 HydrophobicContact CG-CD1 4.31Å
253	L	89.8	Confident	93	Very high	20 Å²	20	26.3 Å²	26.3	11%	0.105	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	139	-178.5	-64.1	177.2	0	0	0	111	H111 N114 F190 V194 R197 Q255	H111-L253 VanDerWaalsContact CE1-CD2 3.43Å; H111-L253 WeakPolarHBondContact CE1-CD2 3.47Å; H111-L253 WeakPolarHBondContact ND1-CD2 3.42Å; N114-L253 HydrophobicContact CB-CD1 3.47Å; N114-L253 VanDerWaalsContact CB-CD1 3.47Å; F190-L253 HydrophobicContact CE1-CD1 4.19Å; F190-L253 HydrophobicContact CZ-CB 4.35Å; F190-L253 HydrophobicContact CZ-CD1 3.72Å; V194-L253 HydrophobicContact CG2-CB 4.1Å; R197-L253 VanDerWaalsContact CZ-O 3.31Å; R197-L253 PolarHBondContact NH1-O 2.72Å; R197-L253 PolarHBondContact NH2-O 2.78Å; R197-L253 VanDerWaalsContact NH2-O 3.12Å; L253-Q255 VanDerWaalsContact C-N 3.34Å
254	G	89.2	Confident	92.9	Very high	9 Å²	9	32.4 Å²	32.4	9%	0.093	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	5.6	-171.4	0	0	0	0	0	114.8	K252	K252-G254 PolarHBondContact O-N 3.12Å
255	Q	92.6	Very high	92.7	Very high	30 Å²	30	36.9 Å²	36.9	14%	0.14	19%	0.186	C	C	.	.			trans	-119.4	153.7	172.3	-60.3	-166.8	-36.8	0	0	111.8	S249 K252 L253 I271	S249-Q255 WeakPolarHBondContact CB-O 3.44Å; S249-Q255 PolarHBondContact N-O 2.77Å; K252-Q255 HydrophobicContact CB-CB 4.23Å; K252-Q255 HydrophobicContact CB-CG 4.31Å; K252-Q255 WeakPolarHBondContact O-CB 3.18Å; K252-Q255 PolarHBondContact O-N 3.41Å; L253-Q255 VanDerWaalsContact C-N 3.34Å; Q255-I271 HydrophobicContact CB-CG2 3.83Å
256	W	94.8	Very high	92.6	Very high	7 Å²	7	43.4 Å²	43.4	3%	0.027	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	144.9	176.6	-64.9	95.5	0	0	0	111.4	L198 F199 Y219 F246 L248 I271 I272 L277	L198-W256 HydrophobicContact CB-CZ2 3.94Å; L198-W256 HydrophobicContact CD2-CD2 4.02Å; L198-W256 HydrophobicContact CD2-CG 4.21Å; L198-W256 HydrophobicContact CD2-CZ2 4.13Å; L198-W256 PolarHBondContact O-NE1 3.05Å; F199-W256 HydrophobicContact CD1-CZ2 4.03Å; F199-W256 AromaticContact CE1-CH2 3.72Å; F199-W256 HydrophobicContact CE1-CH2 3.72Å; F199-W256 AromaticContact CE1-CZ2 3.52Å; F199-W256 HydrophobicContact CE1-CZ2 3.52Å; F199-W256 AromaticContact CZ-CH2 3.93Å; F199-W256 HydrophobicContact CZ-CH2 3.93Å; F199-W256 AromaticContact CZ-CZ2 3.88Å; F199-W256 HydrophobicContact CZ-CZ2 3.88Å; Y219-W256 HydrophobicContact CD2-CH2 4.44Å; Y219-W256 AromaticContact CD2-CZ3 3.92Å; Y219-W256 HydrophobicContact CD2-CZ3 3.92Å; Y219-W256 HydrophobicContact CE2-CH2 4.14Å; Y219-W256 AromaticContact CE2-CZ3 3.72Å; Y219-W256 HydrophobicContact CE2-CZ3 3.72Å; F246-W256 AromaticContact CD2-CE3 3.84Å; F246-W256 HydrophobicContact CD2-CE3 3.84Å; F246-W256 AromaticContact CD2-CZ3 3.75Å; F246-W256 HydrophobicContact CD2-CZ3 3.75Å; F246-W256 HydrophobicContact CE2-CE3 4.4Å; F246-W256 AromaticContact CE2-CZ3 3.95Å; F246-W256 HydrophobicContact CE2-CZ3 3.95Å; L248-W256 HydrophobicContact CD2-CD2 4.34Å; L248-W256 HydrophobicContact CD2-CE3 3.93Å; L248-W256 HydrophobicContact CD2-CH2 3.72Å; L248-W256 HydrophobicContact CD2-CZ2 4.14Å; L248-W256 HydrophobicContact CD2-CZ3 3.61Å; L248-W256 HydrophobicContact CG-CZ3 4.46Å; W256-I271 WeakPolarHBondContact O-CA 3.32Å; W256-I271 WeakPolarHBondContact O-CG2 3.27Å; W256-I272 HydrophobicContact CB-CG1 4.3Å; W256-I272 PolarHBondContact O-N 3.05Å; W256-L277 HydrophobicContact CB-CB 4.42Å; W256-L277 HydrophobicContact CB-CD1 4.14Å; W256-L277 HydrophobicContact CB-CD2 4.39Å; W256-L277 HydrophobicContact CD2-CB 4.14Å; W256-L277 HydrophobicContact CD2-CD2 3.36Å; W256-L277 HydrophobicContact CD2-CG 4.23Å; W256-L277 HydrophobicContact CE3-CD2 3.51Å; W256-L277 HydrophobicContact CG-CB 3.78Å; W256-L277 HydrophobicContact CG-CD1 4.26Å; W256-L277 HydrophobicContact CG-CD2 3.77Å; W256-L277 HydrophobicContact CG-CG 4.14Å; W256-L277 HydrophobicContact CH2-CD2 4.15Å; W256-L277 HydrophobicContact CZ2-CD2 4.02Å; W256-L277 HydrophobicContact CZ3-CD2 3.9Å
257	A	95.2	Very high	92.7	Very high	5 Å²	5	45.1 Å²	45.1	4%	0.041	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	128.7	167.8	0	0	0	0	0	109.8	F246 R247 T270	F246-A257 CarbonylContact C-O 3.53Å; F246-A257 VanDerWaalsContact CA-O 3.26Å; F246-A257 WeakPolarHBondContact CA-O 3.39Å; R247-A257 HydrophobicContact CG-CB 4.2Å; R247-A257 PolarHBondContact N-O 3.46Å; R247-A257 PolarHBondContact O-N 3.12Å; A257-T270 CarbonylContact C-O 3.59Å; A257-T270 VanDerWaalsContact CA-O 3.31Å; A257-T270 WeakPolarHBondContact CA-O 3.35Å
258	I	95.9	Very high	92.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	126.2	175.7	-51.2	-172.6	0	0	0	108.6	Y244 F246 Q269 T270 I272 L277 L281 Y290	Y244-I258 HydrophobicContact CD2-CG2 4.25Å; F246-I258 HydrophobicContact CB-CB 4.41Å; F246-I258 HydrophobicContact CB-CG1 3.92Å; I258-Q269 CarbonylContact O-C 3.59Å; I258-Q269 VanDerWaalsContact O-CA 3.25Å; I258-Q269 WeakPolarHBondContact O-CA 3.47Å; I258-T270 HydrophobicContact CB-CG2 4.32Å; I258-T270 PolarHBondContact N-O 3.21Å; I258-T270 PolarHBondContact O-N 2.88Å; I258-I272 HydrophobicContact CD1-CD1 3.63Å; I258-I272 HydrophobicContact CD1-CG1 3.92Å; I258-I272 HydrophobicContact CG1-CD1 3.94Å; I258-I272 HydrophobicContact CG1-CG1 3.99Å; I258-L277 HydrophobicContact CD1-CD1 3.59Å; I258-L277 HydrophobicContact CG1-CD1 4.01Å; I258-L281 HydrophobicContact CD1-CD2 3.93Å; I258-Y290 HydrophobicContact CD1-CE2 3.98Å; I258-Y290 HydrophobicContact CG2-CD1 4.23Å; I258-Y290 HydrophobicContact CG2-CE1 3.79Å
259	G	96.5	Very high	93	Very high	1 Å²	1	46 Å²	46	1%	0.01	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	133.3	168	0	0	0	0	0	110.6	Y244 I245 V268	Y244-G259 CarbonylContact C-O 3.52Å; Y244-G259 WeakPolarHBondContact CA-O 3.39Å; Y244-G259 WeakPolarHBondContact CB-O 3.37Å; I245-G259 PolarHBondContact N-O 2.77Å; I245-G259 PolarHBondContact O-N 3.48Å; I245-G259 VanDerWaalsContact O-O 3.1Å; G259-V268 CarbonylContact C-O 3.18Å; G259-V268 VanDerWaalsContact CA-O 3.28Å; G259-V268 WeakPolarHBondContact CA-O 3.47Å
260	Y	96.9	Very high	93.1	Very high	35 Å²	35	48.1 Å²	48.1	14%	0.137	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	163.9	-179.9	67.5	-76.1	0	0	0	112.7	T243 T262 I267 V268 T270 F289 Y290	T243-Y260 CarbonylContact O-C 3.5Å; T243-Y260 WeakPolarHBondContact O-CA 3.22Å; Y260-T262 HydrophobicContact CD2-CG2 4.47Å; Y260-T262 HydrophobicContact CE2-CG2 3.93Å; Y260-I267 WeakPolarHBondContact O-CA 3.41Å; Y260-V268 HydrophobicContact CE1-CB 4.15Å; Y260-V268 HydrophobicContact CE1-CG1 4.14Å; Y260-V268 PolarHBondContact N-O 2.86Å; Y260-V268 PolarHBondContact O-N 3.41Å; Y260-T270 HydrophobicContact CE1-CG2 4.15Å; Y260-F289 HydrophobicContact CD2-CB 4.5Å; Y260-F289 HydrophobicContact CE2-CB 4.47Å; Y260-F289 AromaticContact CE2-CD1 3.99Å; Y260-F289 HydrophobicContact CE2-CD1 3.99Å; Y260-Y290 AromaticContact CD1-CE1 3.83Å; Y260-Y290 HydrophobicContact CD1-CE1 3.83Å; Y260-Y290 HydrophobicContact CD2-CE1 4.38Å; Y260-Y290 HydrophobicContact CE1-CE1 4.35Å; Y260-Y290 HydrophobicContact CG-CD1 4.37Å; Y260-Y290 AromaticContact CG-CE1 3.85Å; Y260-Y290 HydrophobicContact CG-CE1 3.85Å
261	I	97.2	Very high	93.5	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	121.4	176.5	-53.4	-178.7	0	0	0	108.9	L232 G242 T243 L265 K266 I267	L232-I261 HydrophobicContact CB-CG1 4.33Å; L232-I261 HydrophobicContact CD2-CG1 4.4Å; L232-I261 WeakPolarHBondContact O-CD1 3.45Å; G242-I261 PolarHBondContact N-O 2.81Å; T243-I261 PolarHBondContact O-N 2.93Å; I261-L265 HydrophobicContact CG2-CD2 4.45Å; I261-K266 WeakPolarHBondContact CA-O 3.33Å; I261-I267 HydrophobicContact CG1-CG1 4.37Å
262	T	96.3	Very high	93.9	Very high	16 Å²	16	46.4 Å²	46.4	10%	0.098	23%	0.229	C	C	.	.			trans	-76	171.6	177.9	75.1	0	0	0	0	112	Y260 E264 L265 K266 V268	Y260-T262 HydrophobicContact CD2-CG2 4.47Å; Y260-T262 HydrophobicContact CE2-CG2 3.93Å; T262-E264 WeakPolarHBondContact CB-OE2 3.47Å; T262-E264 PolarHBondContact O-N 3.49Å; T262-E264 PolarHBondContact OG1-N 3.49Å; T262-E264 PolarHBondContact OG1-OE2 3Å; T262-L265 PolarHBondContact O-N 2.88Å; T262-K266 PolarHBondContact N-O 3.29Å; T262-K266 PolarHBondContact OG1-N 3.37Å; T262-V268 HydrophobicContact CG2-CB 4.28Å; T262-V268 HydrophobicContact CG2-CG2 3.65Å
263	Q	94.1	Very high	93.8	Very high	158 Å²	158	45.4 Å²	45.4	74%	0.738	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-29.8	174.7	-64.5	-173.5	7.4	0	0	112.2	L265	Q263-L265 PolarHBondContact O-N 3.17Å
264	E	94.2	Very high	93.4	Very high	129 Å²	129	46.9 Å²	46.9	60%	0.603	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.7	12.1	176.1	-49.1	71.2	-151.9	0	0	113.4	T262 K266	T262-E264 WeakPolarHBondContact CB-OE2 3.47Å; T262-E264 PolarHBondContact O-N 3.49Å; T262-E264 PolarHBondContact OG1-N 3.49Å; T262-E264 PolarHBondContact OG1-OE2 3Å; E264-K266 HydrophobicContact CB-CG 4.4Å; E264-K266 PolarHBondContact O-N 3.49Å
265	L	92.9	Very high	93.3	Very high	94 Å²	94	50.8 Å²	50.8	49%	0.492	25%	0.248	S	C	.	.	S	Bend	trans	61.4	25.1	-179.3	-53.1	176.3	0	0	0	114	C236 P241 I261 T262 Q263	C236-L265 WeakPolarHBondContact O-CD2 3.07Å; P241-L265 HydrophobicContact CG-CD2 3.81Å; I261-L265 HydrophobicContact CG2-CD2 4.45Å; T262-L265 PolarHBondContact O-N 2.88Å; Q263-L265 PolarHBondContact O-N 3.17Å
266	K	95.4	Very high	93.2	Very high	138 Å²	138	50.2 Å²	50.2	60%	0.6	25%	0.248	S	C	*	.			trans	-90.3	141.1	173.5	-64.4	-179	-178.4	175.6	0	110	I261 T262 E264	I261-K266 WeakPolarHBondContact CA-O 3.33Å; T262-K266 PolarHBondContact N-O 3.29Å; T262-K266 PolarHBondContact OG1-N 3.37Å; E264-K266 HydrophobicContact CB-CG 4.4Å; E264-K266 PolarHBondContact O-N 3.49Å
267	I	96	Very high	93.2	Very high	36 Å²	36	50 Å²	50	19%	0.185	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	116.8	171.9	-63.1	167	0	0	0	107.9	K229 L232 K233 Y260 I261	K229-I267 HydrophobicContact CG-CD1 4.26Å; K229-I267 HydrophobicContact CG-CG2 4.44Å; L232-I267 HydrophobicContact CB-CD1 3.87Å; L232-I267 HydrophobicContact CB-CG1 4.05Å; L232-I267 HydrophobicContact CB-CG2 4.13Å; L232-I267 HydrophobicContact CD1-CG2 3.74Å; K233-I267 HydrophobicContact CB-CD1 4.27Å; K233-I267 HydrophobicContact CG-CD1 3.59Å; Y260-I267 WeakPolarHBondContact O-CA 3.41Å; I261-I267 HydrophobicContact CG1-CG1 4.37Å
268	V	95.5	Very high	93.1	Very high	55 Å²	55	49.8 Å²	49.8	33%	0.333	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	146.9	179.1	178.6	0	0	0	0	108.9	G259 Y260 T262	G259-V268 CarbonylContact C-O 3.18Å; G259-V268 VanDerWaalsContact CA-O 3.28Å; G259-V268 WeakPolarHBondContact CA-O 3.47Å; Y260-V268 HydrophobicContact CE1-CB 4.15Å; Y260-V268 HydrophobicContact CE1-CG1 4.14Å; Y260-V268 PolarHBondContact N-O 2.86Å; Y260-V268 PolarHBondContact O-N 3.41Å; T262-V268 HydrophobicContact CG2-CB 4.28Å; T262-V268 HydrophobicContact CG2-CG2 3.65Å
269	Q	95	Very high	92.9	Very high	37 Å²	37	52.2 Å²	52.2	17%	0.173	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	135.2	170.3	-73.1	177.9	63	0	0	109.5	Y225 V228 R247 I258	Y225-Q269 HydrophobicContact CD2-CB 4.26Å; Y225-Q269 HydrophobicContact CD2-CG 4.25Å; Y225-Q269 VanDerWaalsContact CD2-OE1 3.26Å; Y225-Q269 HydrophobicContact CE2-CB 3.92Å; Y225-Q269 VanDerWaalsContact CE2-CD 3.49Å; Y225-Q269 HydrophobicContact CE2-CG 4.07Å; Y225-Q269 PolarHBondContact O-NE2 3.29Å; V228-Q269 VanDerWaalsContact CG1-CD 3.47Å; V228-Q269 HydrophobicContact CG1-CG 3.86Å; R247-Q269 VanDerWaalsContact NH2-OE1 3.17Å; I258-Q269 CarbonylContact O-C 3.59Å; I258-Q269 VanDerWaalsContact O-CA 3.25Å; I258-Q269 WeakPolarHBondContact O-CA 3.47Å
270	T	93.7	Very high	92.8	Very high	52 Å²	52	52.4 Å²	52.4	32%	0.319	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	145.9	178.4	-178.9	0	0	0	0	110.5	A257 I258 Y260 I272	A257-T270 CarbonylContact C-O 3.59Å; A257-T270 VanDerWaalsContact CA-O 3.31Å; A257-T270 WeakPolarHBondContact CA-O 3.35Å; I258-T270 HydrophobicContact CB-CG2 4.32Å; I258-T270 PolarHBondContact N-O 3.21Å; I258-T270 PolarHBondContact O-N 2.88Å; Y260-T270 HydrophobicContact CE1-CG2 4.15Å; T270-I272 HydrophobicContact CG2-CD1 4.36Å
271	I	92.5	Very high	92.6	Very high	49 Å²	49	50.8 Å²	50.8	25%	0.251	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	122.9	172.4	-56.4	178.8	0	0	0	107.9	K252 Q255 W256 Q273	K252-I271 HydrophobicContact CD-CD1 3.92Å; K252-I271 HydrophobicContact CD-CG2 4.4Å; K252-I271 HydrophobicContact CG-CD1 4.31Å; Q255-I271 HydrophobicContact CB-CG2 3.83Å; W256-I271 WeakPolarHBondContact O-CA 3.32Å; W256-I271 WeakPolarHBondContact O-CG2 3.27Å; I271-Q273 PolarHBondContact O-N 2.87Å; I271-Q273 PolarHBondContact O-NE2 3.25Å
272	I	91.9	Very high	92.4	Very high	18 Å²	18	51.2 Å²	51.2	9%	0.092	26%	0.255	C	S	.	.			trans	-67	124.3	-177.9	-55.1	-53.5	0	0	0	110	W256 I258 T270 K275 A280	W256-I272 HydrophobicContact CB-CG1 4.3Å; W256-I272 PolarHBondContact O-N 3.05Å; I258-I272 HydrophobicContact CD1-CD1 3.63Å; I258-I272 HydrophobicContact CD1-CG1 3.92Å; I258-I272 HydrophobicContact CG1-CD1 3.94Å; I258-I272 HydrophobicContact CG1-CG1 3.99Å; T270-I272 HydrophobicContact CG2-CD1 4.36Å; I272-K275 HydrophobicContact CG2-CD 4.16Å; I272-K275 HydrophobicContact CG2-CG 3.39Å; I272-K275 WeakPolarHBondContact CG2-O 3.12Å; I272-A280 HydrophobicContact CD1-CB 3.97Å; I272-A280 HydrophobicContact CG1-CB 4.25Å; I272-A280 HydrophobicContact CG2-CB 3.96Å
273	Q	84.4	Confident	92.2	Very high	63 Å²	63	51.3 Å²	51.3	29%	0.294	26%	0.255	S	S	.	.			trans	-112.7	138.7	177.9	-57.2	-57.3	-46.4	0	0	109.8	I271 K275	I271-Q273 PolarHBondContact O-N 2.87Å; I271-Q273 PolarHBondContact O-NE2 3.25Å; Q273-K275 PolarHBondContact O-N 3.48Å
274	N	81	Confident	92.1	Very high	50 Å²	50	44 Å²	44	27%	0.267	22%	0.221	S	C	.	.	S	Bend	trans	53.9	24.2	168.9	-50.3	-39.8	0	0	0	116.3	Q363 T381	N274-Q363 VanDerWaalsContact ND2-CD 3.32Å; N274-Q363 PolarHBondContact ND2-NE2 3.39Å; N274-Q363 PolarHBondContact ND2-OE1 2.89Å; N274-Q363 VanDerWaalsContact ND2-OE1 3.11Å; N274-T381 HydrophobicContact CB-CG2 4.26Å; N274-T381 PolarHBondContact O-OG1 3.03Å
275	K	86.8	Confident	92	Very high	91 Å²	91	40.9 Å²	40.9	40%	0.396	21%	0.207	S	C	.	.	S	Bend	trans	-148.6	155.7	171.8	63.2	175.9	65.9	-168.7	0	110.6	I272 Q273 A280 D283	I272-K275 HydrophobicContact CG2-CD 4.16Å; I272-K275 HydrophobicContact CG2-CG 3.39Å; I272-K275 WeakPolarHBondContact CG2-O 3.12Å; Q273-K275 PolarHBondContact O-N 3.48Å; K275-A280 HydrophobicContact CD-CB 3.61Å; K275-A280 HydrophobicContact CG-CB 4.1Å; K275-D283 IonicContact NZ-OD2 3.57Å; K275-D283 PolarHBondContact NZ-OD2 3.03Å
276	S	92.1	Very high	91.9	Very high	19 Å²	19	44.2 Å²	44.2	13%	0.133	21%	0.213	C	C	.	.			trans	-67.7	153.8	171.3	74.3	0	0	0	0	110.3	A278 Q279 A280	S276-A278 VanDerWaalsContact C-N 3.29Å; S276-A278 PolarHBondContact O-N 3.18Å; S276-Q279 PolarHBondContact O-N 3.44Å; S276-Q279 WeakPolarHBondContact OG-CB 3.48Å; S276-Q279 PolarHBondContact OG-N 3.21Å; S276-Q279 VanDerWaalsContact OG-N 3.09Å; S276-A280 WeakPolarHBondContact O-CB 3.35Å; S276-A280 PolarHBondContact O-N 2.79Å
277	L	94.3	Very high	91.8	Very high	1 Å²	1	43 Å²	43	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-61.8	-40.6	174.3	175.5	63.3	0	0	0	111.3	L212 F246 W256 I258 Q279 A280 L281	L212-L277 HydrophobicContact CD1-CB 4.22Å; L212-L277 HydrophobicContact CD1-CD2 4.17Å; L212-L277 HydrophobicContact CD1-CG 4.4Å; L212-L277 HydrophobicContact CD2-CD2 3.99Å; L212-L277 HydrophobicContact CD2-CG 4.17Å; F246-L277 HydrophobicContact CD1-CD2 4.43Å; F246-L277 HydrophobicContact CD2-CD2 3.45Å; F246-L277 VanDerWaalsContact CD2-CD2 3.45Å; F246-L277 HydrophobicContact CE1-CD2 4.4Å; F246-L277 HydrophobicContact CE2-CD2 3.47Å; F246-L277 VanDerWaalsContact CE2-CD2 3.47Å; F246-L277 HydrophobicContact CG-CD1 4.45Å; F246-L277 HydrophobicContact CG-CD2 3.97Å; F246-L277 HydrophobicContact CZ-CD2 3.98Å; W256-L277 HydrophobicContact CB-CB 4.42Å; W256-L277 HydrophobicContact CB-CD1 4.14Å; W256-L277 HydrophobicContact CB-CD2 4.39Å; W256-L277 HydrophobicContact CD2-CB 4.14Å; W256-L277 HydrophobicContact CD2-CD2 3.36Å; W256-L277 HydrophobicContact CD2-CG 4.23Å; W256-L277 HydrophobicContact CE3-CD2 3.51Å; W256-L277 HydrophobicContact CG-CB 3.78Å; W256-L277 HydrophobicContact CG-CD1 4.26Å; W256-L277 HydrophobicContact CG-CD2 3.77Å; W256-L277 HydrophobicContact CG-CG 4.14Å; W256-L277 HydrophobicContact CH2-CD2 4.15Å; W256-L277 HydrophobicContact CZ2-CD2 4.02Å; W256-L277 HydrophobicContact CZ3-CD2 3.9Å; I258-L277 HydrophobicContact CD1-CD1 3.59Å; I258-L277 HydrophobicContact CG1-CD1 4.01Å; L277-Q279 VanDerWaalsContact C-N 3.32Å; L277-Q279 PolarHBondContact O-N 3.14Å; L277-A280 WeakPolarHBondContact O-CB 3.4Å; L277-A280 PolarHBondContact O-N 3.35Å; L277-A280 VanDerWaalsContact O-N 3.16Å; L277-L281 HydrophobicContact CD1-CD1 4.12Å; L277-L281 HydrophobicContact CD1-CD2 4.32Å; L277-L281 HydrophobicContact CD1-CG 3.92Å; L277-L281 HydrophobicContact CD2-CD1 4.46Å; L277-L281 HydrophobicContact CG-CD1 3.97Å; L277-L281 HydrophobicContact CG-CG 4.21Å; L277-L281 WeakPolarHBondContact O-CG 2.97Å; L277-L281 PolarHBondContact O-N 2.95Å
278	A	92.6	Very high	91.6	Very high	2 Å²	2	42.7 Å²	42.7	2%	0.017	22%	0.215	C	C	.	.	H	α-helix	trans	-56.5	-46.8	177.8	0	0	0	0	0	111.3	S276 L281 V282 L303 T307	S276-A278 VanDerWaalsContact C-N 3.29Å; S276-A278 PolarHBondContact O-N 3.18Å; A278-L281 PolarHBondContact O-N 2.86Å; A278-V282 WeakPolarHBondContact O-CG2 3.41Å; A278-V282 PolarHBondContact O-N 2.93Å; A278-V282 VanDerWaalsContact O-N 3.11Å; A278-L303 HydrophobicContact CB-CD2 4.3Å; A278-T307 HydrophobicContact CB-CG2 3.62Å
279	Q	91.6	Very high	91.5	Very high	51 Å²	51	43.9 Å²	43.9	24%	0.238	22%	0.216	C	C	.	.	H	α-helix	trans	-65.7	-41.4	176.5	-171.7	61.5	50.6	0	0	112	S276 L277 L281 V282 D283 T307	S276-Q279 PolarHBondContact O-N 3.44Å; S276-Q279 WeakPolarHBondContact OG-CB 3.48Å; S276-Q279 PolarHBondContact OG-N 3.21Å; S276-Q279 VanDerWaalsContact OG-N 3.09Å; L277-Q279 VanDerWaalsContact C-N 3.32Å; L277-Q279 PolarHBondContact O-N 3.14Å; Q279-L281 VanDerWaalsContact C-N 3.29Å; Q279-L281 PolarHBondContact O-N 2.81Å; Q279-V282 PolarHBondContact O-N 2.97Å; Q279-D283 PolarHBondContact NE2-OD1 3.22Å; Q279-D283 WeakPolarHBondContact O-CB 3.31Å; Q279-D283 PolarHBondContact O-N 3.17Å; Q279-T307 HydrophobicContact CB-CG2 4.35Å
280	A	93.5	Very high	91.5	Very high	5 Å²	5	43.1 Å²	43.1	4%	0.041	21%	0.212	C	C	.	.	H	α-helix	trans	-60.2	-38.8	177.5	0	0	0	0	0	112.6	I272 K275 S276 L277 G284 Y290	I272-A280 HydrophobicContact CD1-CB 3.97Å; I272-A280 HydrophobicContact CG1-CB 4.25Å; I272-A280 HydrophobicContact CG2-CB 3.96Å; K275-A280 HydrophobicContact CD-CB 3.61Å; K275-A280 HydrophobicContact CG-CB 4.1Å; S276-A280 WeakPolarHBondContact O-CB 3.35Å; S276-A280 PolarHBondContact O-N 2.79Å; L277-A280 WeakPolarHBondContact O-CB 3.4Å; L277-A280 PolarHBondContact O-N 3.35Å; L277-A280 VanDerWaalsContact O-N 3.16Å; A280-G284 PolarHBondContact O-N 2.98Å; A280-Y290 WeakPolarHBondContact O-CE2 3.25Å
281	L	93.8	Very high	91.5	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-68.8	-43.8	177.2	-69.1	176.5	0	0	0	111.8	L212 Y244 F246 I258 L277 A278 Q279 G284 E285 Y290 L303	L212-L281 HydrophobicContact CD2-CD1 3.94Å; Y244-L281 HydrophobicContact CD2-CD2 4.07Å; Y244-L281 HydrophobicContact CE2-CD2 3.4Å; F246-L281 HydrophobicContact CD1-CD1 4.12Å; F246-L281 HydrophobicContact CD1-CD2 4.25Å; F246-L281 HydrophobicContact CE1-CD1 3.63Å; F246-L281 HydrophobicContact CE1-CD2 4.49Å; F246-L281 HydrophobicContact CZ-CD1 4.26Å; I258-L281 HydrophobicContact CD1-CD2 3.93Å; L277-L281 HydrophobicContact CD1-CD1 4.12Å; L277-L281 HydrophobicContact CD1-CD2 4.32Å; L277-L281 HydrophobicContact CD1-CG 3.92Å; L277-L281 HydrophobicContact CD2-CD1 4.46Å; L277-L281 HydrophobicContact CG-CD1 3.97Å; L277-L281 HydrophobicContact CG-CG 4.21Å; L277-L281 WeakPolarHBondContact O-CG 2.97Å; L277-L281 PolarHBondContact O-N 2.95Å; A278-L281 PolarHBondContact O-N 2.86Å; Q279-L281 VanDerWaalsContact C-N 3.29Å; Q279-L281 PolarHBondContact O-N 2.81Å; L281-G284 PolarHBondContact O-N 3.32Å; L281-E285 WeakPolarHBondContact O-CB 3.32Å; L281-E285 PolarHBondContact O-N 3.2Å; L281-Y290 HydrophobicContact CD2-CD2 4.05Å; L281-Y290 HydrophobicContact CD2-CG 4.44Å; L281-L303 HydrophobicContact CB-CD1 3.91Å; L281-L303 HydrophobicContact CD1-CD1 3.7Å; L281-L303 HydrophobicContact CG-CD1 4.48Å
282	V	92	Very high	91.6	Very high	12 Å²	12	44.8 Å²	44.8	7%	0.073	21%	0.213	C	C	.	.	H	α-helix	trans	-62.4	-44.4	175.6	171.8	0	0	0	0	111.3	A278 Q279 R286 L303 Y304	A278-V282 WeakPolarHBondContact O-CG2 3.41Å; A278-V282 PolarHBondContact O-N 2.93Å; A278-V282 VanDerWaalsContact O-N 3.11Å; Q279-V282 PolarHBondContact O-N 2.97Å; V282-R286 PolarHBondContact O-N 3.5Å; V282-R286 VanDerWaalsContact O-N 3.17Å; V282-L303 HydrophobicContact CG2-CB 3.98Å; V282-Y304 HydrophobicContact CG1-CD2 4.18Å
283	D	91.9	Very high	91.7	Very high	18 Å²	18	43.9 Å²	43.9	10%	0.096	21%	0.209	C	C	.	.	H	α-helix	trans	-62.7	-48.7	176.5	-70	-19.8	0	0	0	111.5	K275 Q279 E285 R286 E287	K275-D283 IonicContact NZ-OD2 3.57Å; K275-D283 PolarHBondContact NZ-OD2 3.03Å; Q279-D283 PolarHBondContact NE2-OD1 3.22Å; Q279-D283 WeakPolarHBondContact O-CB 3.31Å; Q279-D283 PolarHBondContact O-N 3.17Å; D283-E285 VanDerWaalsContact C-N 3.34Å; D283-E285 PolarHBondContact O-N 3.43Å; D283-R286 WeakPolarHBondContact O-CB 3.43Å; D283-R286 PolarHBondContact O-N 2.78Å; D283-R286 IonicContact OD1-CZ 2.59Å; D283-R286 IonicContact OD1-NH1 2.94Å; D283-R286 PolarHBondContact OD1-NH1 3.03Å; D283-R286 IonicContact OD1-NH2 2.99Å; D283-R286 PolarHBondContact OD1-NH2 3.42Å; D283-E287 WeakPolarHBondContact O-CG 3.45Å; D283-E287 PolarHBondContact O-N 3.38Å
284	G	92.9	Very high	92.1	Very high	4 Å²	4	42.6 Å²	42.6	4%	0.041	20%	0.204	C	C	.	.	H	α-helix	trans	-73.4	-22.9	-176.8	0	0	0	0	0	113.8	A280 L281 G288 F289 Y290	A280-G284 PolarHBondContact O-N 2.98Å; L281-G284 PolarHBondContact O-N 3.32Å; G284-G288 CarbonylContact O-C 3.53Å; G284-G288 PolarHBondContact O-N 3.13Å; G284-G288 VanDerWaalsContact O-N 3.12Å; G284-F289 WeakPolarHBondContact O-CA 3.28Å; G284-F289 PolarHBondContact O-N 2.98Å; G284-Y290 VanDerWaalsContact CA-CD2 3.42Å; G284-Y290 PolarHBondContact O-N 3.43Å
285	E	91.9	Very high	92.6	Very high	64 Å²	64	41.3 Å²	41.3	30%	0.299	20%	0.202	S	C	.	.	H	α-helix	trans	-67.2	-47.9	165.9	-177.6	-178.8	-143.9	0	0	110.7	L281 D283 E287 G288 L291 T300	L281-E285 WeakPolarHBondContact O-CB 3.32Å; L281-E285 PolarHBondContact O-N 3.2Å; D283-E285 VanDerWaalsContact C-N 3.34Å; D283-E285 PolarHBondContact O-N 3.43Å; E285-E287 PolarHBondContact O-N 3.31Å; E285-G288 PolarHBondContact O-N 3.27Å; E285-L291 HydrophobicContact CG-CD2 4.31Å; E285-T300 WeakPolarHBondContact OE1-CB 3.24Å; E285-T300 PolarHBondContact OE1-OG1 2.97Å; E285-T300 WeakPolarHBondContact OE2-CB 3.4Å; E285-T300 WeakPolarHBondContact OE2-CG2 3.49Å; E285-T300 PolarHBondContact OE2-OG1 2.83Å
286	R	91.6	Very high	92.7	Very high	164 Å²	164	42.7 Å²	42.7	62%	0.619	21%	0.208	S	C	*	.	H	α-helix	trans	-58.4	-35.9	177.7	-177.5	-179.1	65.3	-117.6	-2.7	112.2	V282 D283	V282-R286 PolarHBondContact O-N 3.5Å; V282-R286 VanDerWaalsContact O-N 3.17Å; D283-R286 WeakPolarHBondContact O-CB 3.43Å; D283-R286 PolarHBondContact O-N 2.78Å; D283-R286 IonicContact OD1-CZ 2.59Å; D283-R286 IonicContact OD1-NH1 2.94Å; D283-R286 PolarHBondContact OD1-NH1 3.03Å; D283-R286 IonicContact OD1-NH2 2.99Å; D283-R286 PolarHBondContact OD1-NH2 3.42Å
287	E	93.2	Very high	92.1	Very high	111 Å²	111	47.1 Å²	47.1	52%	0.519	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-6.9	177.3	-68	168.2	-162.8	0	0	113.6	D283 E285 F289	D283-E287 WeakPolarHBondContact O-CG 3.45Å; D283-E287 PolarHBondContact O-N 3.38Å; E285-E287 PolarHBondContact O-N 3.31Å; E287-F289 HydrophobicContact CB-CD2 3.62Å; E287-F289 HydrophobicContact CB-CE2 3.77Å; E287-F289 WeakPolarHBondContact OE2-CE2 3.43Å
288	G	92	Very high	91	Very high	30 Å²	30	48.6 Å²	48.6	31%	0.309	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	10.3	177.5	0	0	0	0	0	115.7	G284 E285 L291	G284-G288 CarbonylContact O-C 3.53Å; G284-G288 PolarHBondContact O-N 3.13Å; G284-G288 VanDerWaalsContact O-N 3.12Å; E285-G288 PolarHBondContact O-N 3.27Å; G288-L291 WeakPolarHBondContact O-CD1 3.44Å
289	F	93.8	Very high	89.5	Confident	81 Å²	81	52.3 Å²	52.3	36%	0.355	27%	0.271	S	S	.	.	S	Bend	trans	-85.6	-30.8	178	-63.6	-61.9	0	0	0	114.1	G242 Y260 G284 E287	G242-F289 WeakPolarHBondContact CA-O 3.32Å; Y260-F289 HydrophobicContact CD2-CB 4.5Å; Y260-F289 HydrophobicContact CE2-CB 4.47Å; Y260-F289 AromaticContact CE2-CD1 3.99Å; Y260-F289 HydrophobicContact CE2-CD1 3.99Å; G284-F289 WeakPolarHBondContact O-CA 3.28Å; G284-F289 PolarHBondContact O-N 2.98Å; E287-F289 HydrophobicContact CB-CD2 3.62Å; E287-F289 HydrophobicContact CB-CE2 3.77Å; E287-F289 WeakPolarHBondContact OE2-CE2 3.43Å
290	Y	94.2	Very high	88	Confident	20 Å²	20	50.6 Å²	50.6	8%	0.078	26%	0.264	C	S	.	.	S	Bend	trans	-123.2	73.6	-171.8	-53.6	-33	0	0	0	111.7	Y244 I258 Y260 A280 L281 G284	Y244-Y290 VanDerWaalsContact CD1-CA 3.45Å; Y244-Y290 HydrophobicContact CD1-CD1 4.47Å; Y244-Y290 HydrophobicContact CD1-CG 4.42Å; Y244-Y290 HydrophobicContact CD2-CD1 4.49Å; Y244-Y290 WeakPolarHBondContact CE1-O 3.14Å; Y244-Y290 HydrophobicContact CG-CD1 4.09Å; Y244-Y290 HydrophobicContact CG-CG 4.3Å; I258-Y290 HydrophobicContact CD1-CE2 3.98Å; I258-Y290 HydrophobicContact CG2-CD1 4.23Å; I258-Y290 HydrophobicContact CG2-CE1 3.79Å; Y260-Y290 AromaticContact CD1-CE1 3.83Å; Y260-Y290 HydrophobicContact CD1-CE1 3.83Å; Y260-Y290 HydrophobicContact CD2-CE1 4.38Å; Y260-Y290 HydrophobicContact CE1-CE1 4.35Å; Y260-Y290 HydrophobicContact CG-CD1 4.37Å; Y260-Y290 AromaticContact CG-CE1 3.85Å; Y260-Y290 HydrophobicContact CG-CE1 3.85Å; A280-Y290 WeakPolarHBondContact O-CE2 3.25Å; L281-Y290 HydrophobicContact CD2-CD2 4.05Å; L281-Y290 HydrophobicContact CD2-CG 4.44Å; G284-Y290 VanDerWaalsContact CA-CD2 3.42Å; G284-Y290 PolarHBondContact O-N 3.43Å
291	L	93.6	Very high	87	Confident	54 Å²	54	55.2 Å²	55.2	28%	0.283	29%	0.292	S	S	.	.			trans	-104.4	-32.6	-170.6	-57.8	175.7	0	0	0	113.9	G242 E285 G288 S298	G242-L291 PolarHBondContact O-N 3.03Å; E285-L291 HydrophobicContact CG-CD2 4.31Å; G288-L291 WeakPolarHBondContact O-CD1 3.44Å; L291-S298 WeakPolarHBondContact O-CB 3.43Å
292	Y	94.3	Very high	86.2	Confident	82 Å²	82	59 Å²	59	32%	0.322	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	84.2	-173.4	-46.3	-73.5	0	0	0	111.3	P239 P241 G242 T243 Y244 N294 G295 K296	P239-Y292 HydrophobicContact CB-CD1 4.05Å; P239-Y292 HydrophobicContact CB-CD2 3.83Å; P239-Y292 HydrophobicContact CB-CE1 4.24Å; P239-Y292 HydrophobicContact CB-CE2 4.03Å; P239-Y292 HydrophobicContact CB-CG 3.84Å; P239-Y292 HydrophobicContact CG-CD1 4.07Å; P239-Y292 HydrophobicContact CG-CD2 3.75Å; P239-Y292 HydrophobicContact CG-CE2 4.46Å; P239-Y292 HydrophobicContact CG-CG 3.53Å; P241-Y292 VanDerWaalsContact O-CE2 3.26Å; P241-Y292 WeakPolarHBondContact O-CE2 3.16Å; G242-Y292 PolarHBondContact O-N 2.86Å; T243-Y292 WeakPolarHBondContact CA-O 3.15Å; T243-Y292 WeakPolarHBondContact CG2-O 3.2Å; Y244-Y292 PolarHBondContact N-O 2.99Å; Y244-Y292 VanDerWaalsContact N-O 3.11Å; Y292-N294 PolarHBondContact O-N 3.35Å; Y292-N294 VanDerWaalsContact O-N 3.14Å; Y292-G295 PolarHBondContact O-N 3.06Å; Y292-G295 VanDerWaalsContact O-N 3.15Å; Y292-K296 CarbonylContact C-O 3.56Å; Y292-K296 WeakPolarHBondContact CA-O 3.36Å
293	P	93.3	Very high	85.9	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	117.2	178.9	25.5	-36	0	0	0	111.3	P217 Y244 G295 K296	P217-P293 HydrophobicContact CB-CB 4.47Å; P217-P293 HydrophobicContact CG-CB 3.88Å; P217-P293 HydrophobicContact CG-CG 3.76Å; Y244-P293 HydrophobicContact CE1-CB 3.83Å; Y244-P293 HydrophobicContact CE1-CG 4.32Å; Y244-P293 HydrophobicContact CE2-CB 4.3Å; Y244-P293 WeakPolarHBondContact O-CA 3.15Å; P293-G295 PolarHBondContact O-N 3.43Å; P293-G295 VanDerWaalsContact O-N 3.15Å; P293-K296 WeakPolarHBondContact CD-O 3.36Å; P293-K296 WeakPolarHBondContact O-CB 3.36Å; P293-K296 PolarHBondContact O-N 3.1Å
294	N	92.8	Very high	85.5	Confident	36 Å²	36	63.8 Å²	63.8	19%	0.193	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.7	38.9	-173.7	-168.2	32	0	0	0	112.9	P217 M220 Y235 Y244 I245 Y292 K296	P217-N294 WeakPolarHBondContact O-CB 3.24Å; M220-N294 HydrophobicContact CE-CB 3.78Å; M220-N294 WeakPolarHBondContact CE-ND2 3.26Å; Y235-N294 PolarHBondContact OH-O 2.89Å; Y244-N294 PolarHBondContact O-N 3.21Å; I245-N294 HydrophobicContact CG2-CB 3.97Å; Y292-N294 PolarHBondContact O-N 3.35Å; Y292-N294 VanDerWaalsContact O-N 3.14Å; N294-K296 VanDerWaalsContact C-N 3.25Å; N294-K296 PolarHBondContact O-N 2.97Å
295	G	92.1	Very high	85.1	Confident	22 Å²	22	68.1 Å²	68.1	23%	0.227	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.7	7.9	179.7	0	0	0	0	0	115.5	Y292 P293	Y292-G295 PolarHBondContact O-N 3.06Å; Y292-G295 VanDerWaalsContact O-N 3.15Å; P293-G295 PolarHBondContact O-N 3.43Å; P293-G295 VanDerWaalsContact O-N 3.15Å
296	K	88.5	Confident	84.6	Confident	120 Å²	120	66 Å²	66	52%	0.522	34%	0.338	S	S	.	.	S	Bend	trans	-94.3	157.6	174.4	-61.4	-176.9	-178.6	177.7	0	110.8	P217 Y292 P293 N294	P217-K296 HydrophobicContact CB-CD 4.06Å; Y292-K296 CarbonylContact C-O 3.56Å; Y292-K296 WeakPolarHBondContact CA-O 3.36Å; P293-K296 WeakPolarHBondContact CD-O 3.36Å; P293-K296 WeakPolarHBondContact O-CB 3.36Å; P293-K296 PolarHBondContact O-N 3.1Å; N294-K296 VanDerWaalsContact C-N 3.25Å; N294-K296 PolarHBondContact O-N 2.97Å
297	P	80.6	Confident	84.1	Confident	113 Å²	113	59 Å²	59	73%	0.734	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-59	137.5	168.6	-20	31.9	0	0	0	110.9	P299	P297-P299 WeakPolarHBondContact O-CD 3.28Å
298	S	70.6	Confident	83.4	Confident	31 Å²	31	57.2 Å²	57.2	22%	0.217	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-70.2	129.6	-177.3	-163.6	0	0	0	0	112.8	L291 T300	L291-S298 WeakPolarHBondContact O-CB 3.43Å; S298-T300 WeakPolarHBondContact CB-OG1 3.44Å; S298-T300 PolarHBondContact OG-OG1 2.93Å
299	P	60.8	Low	82.2	Confident	81 Å²	81	61.7 Å²	61.7	53%	0.526	32%	0.324	S	S	.	.			trans	-100	75.5	168.5	35.6	-27.4	0	0	0	110.4	P217 P297	P217-P299 HydrophobicContact CG-CG 4.47Å; P297-P299 WeakPolarHBondContact O-CD 3.28Å
300	T	60.8	Low	81	Confident	15 Å²	15	60.5 Å²	60.5	9%	0.092	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	8.2	-163.4	-12.5	0	0	0	0	115.9	E285 S298 L302 L303	E285-T300 WeakPolarHBondContact OE1-CB 3.24Å; E285-T300 PolarHBondContact OE1-OG1 2.97Å; E285-T300 WeakPolarHBondContact OE2-CB 3.4Å; E285-T300 WeakPolarHBondContact OE2-CG2 3.49Å; E285-T300 PolarHBondContact OE2-OG1 2.83Å; S298-T300 WeakPolarHBondContact CB-OG1 3.44Å; S298-T300 PolarHBondContact OG-OG1 2.93Å; T300-L302 VanDerWaalsContact C-N 3.34Å; T300-L302 PolarHBondContact O-N 3.11Å; T300-L303 HydrophobicContact CG2-CD1 4.47Å
301	T	72.8	Confident	79.6	Confident	101 Å²	101	67.3 Å²	67.3	62%	0.62	36%	0.358	S	S	*	.	H	α-helix	trans	-65.5	-35.2	178.3	-44.5	0	0	0	0	112.7	H305	T301-H305 PolarHBondContact O-CD2 2.84Å; T301-H305 PolarHBondContact O-N 3.23Å
302	L	77.2	Confident	78.6	Confident	81 Å²	81	71.3 Å²	71.3	42%	0.424	38%	0.375	S	S	.	.	H	α-helix	trans	-69.3	-45.3	-175.1	-178.2	61.6	0	0	0	112.7	A211 L215 T300 Y304 H305 L306	A211-L302 HydrophobicContact CB-CD2 3.74Å; A211-L302 HydrophobicContact CB-CG 4.22Å; L215-L302 HydrophobicContact CD1-CD2 4.07Å; T300-L302 VanDerWaalsContact C-N 3.34Å; T300-L302 PolarHBondContact O-N 3.11Å; L302-Y304 VanDerWaalsContact C-N 3.33Å; L302-Y304 PolarHBondContact O-N 3.49Å; L302-H305 PolarHBondContact O-N 3.41Å; L302-L306 HydrophobicContact CG-CD1 4.32Å; L302-L306 PolarHBondContact O-N 2.75Å
303	L	84.7	Confident	77.8	Confident	5 Å²	5	69.4 Å²	69.4	3%	0.026	37%	0.372	C	S	.	.	H	α-helix	trans	-65.1	-39.2	-177.7	-65.4	-178.9	0	0	0	111.6	A211 L212 A278 L281 V282 T300 H305 L306 T307	A211-L303 HydrophobicContact CB-CD2 4.13Å; L212-L303 HydrophobicContact CD2-CD1 4.39Å; L212-L303 HydrophobicContact CD2-CD2 3.72Å; L212-L303 HydrophobicContact CG-CD2 4.31Å; A278-L303 HydrophobicContact CB-CD2 4.3Å; L281-L303 HydrophobicContact CB-CD1 3.91Å; L281-L303 HydrophobicContact CD1-CD1 3.7Å; L281-L303 HydrophobicContact CG-CD1 4.48Å; V282-L303 HydrophobicContact CG2-CB 3.98Å; T300-L303 HydrophobicContact CG2-CD1 4.47Å; L303-H305 VanDerWaalsContact C-N 3.3Å; L303-H305 PolarHBondContact O-N 3Å; L303-L306 PolarHBondContact O-N 3.33Å; L303-L306 VanDerWaalsContact O-N 3.12Å; L303-T307 WeakPolarHBondContact O-CG2 3.44Å; L303-T307 PolarHBondContact O-N 3.2Å; L303-T307 VanDerWaalsContact O-N 3.07Å; L303-T307 PolarHBondContact O-OG1 3.24Å
304	Y	84.6	Confident	77.3	Confident	124 Å²	124	73.9 Å²	73.9	49%	0.486	39%	0.393	S	S	.	.	H	α-helix	trans	-57.1	-42.5	176.3	-176.1	-89.4	0	0	0	112.4	V282 L302 L306 T307 N308	V282-Y304 HydrophobicContact CG1-CD2 4.18Å; L302-Y304 VanDerWaalsContact C-N 3.33Å; L302-Y304 PolarHBondContact O-N 3.49Å; Y304-L306 VanDerWaalsContact C-N 3.35Å; Y304-L306 PolarHBondContact O-N 3.43Å; Y304-T307 PolarHBondContact O-N 3.23Å; Y304-T307 PolarHBondContact O-OG1 2.71Å; Y304-T307 VanDerWaalsContact O-OG1 3.08Å; Y304-N308 HydrophobicContact CE1-CB 4.19Å; Y304-N308 WeakPolarHBondContact CE2-ND2 3.28Å; Y304-N308 VanDerWaalsContact O-CB 3.32Å; Y304-N308 WeakPolarHBondContact O-CB 3.3Å; Y304-N308 PolarHBondContact O-N 3.3Å; Y304-N308 PolarHBondContact OH-ND2 3.01Å; Y304-N308 VanDerWaalsContact OH-ND2 3.13Å
305	H	83.1	Confident	76.8	Confident	95 Å²	95	74 Å²	74	44%	0.44	39%	0.394	S	S	.	.	H	α-helix	trans	-67.4	-34.3	177.4	-69.8	-52.7	0	0	0	113.1	T301 L302 L303 T307 N309	T301-H305 PolarHBondContact O-CD2 2.84Å; T301-H305 PolarHBondContact O-N 3.23Å; L302-H305 PolarHBondContact O-N 3.41Å; L303-H305 VanDerWaalsContact C-N 3.3Å; L303-H305 PolarHBondContact O-N 3Å; H305-T307 VanDerWaalsContact C-N 3.33Å; H305-N309 WeakPolarHBondContact O-CB 3.17Å; H305-N309 PolarHBondContact O-N 3.43Å; H305-N309 PolarHBondContact O-ND2 3.5Å
306	L	83.2	Confident	76.4	Confident	21 Å²	21	80.2 Å²	80.2	11%	0.11	42%	0.417	C	S	.	.	H	α-helix	trans	-72.9	-26.2	178.4	-67.8	172	0	0	0	112.9	N204 E207 A211 L302 L303 Y304 L310	N204-L306 PolarHBondContact ND2-O 3.26Å; N204-L306 VanDerWaalsContact ND2-O 3.14Å; E207-L306 HydrophobicContact CB-CD2 3.82Å; A211-L306 HydrophobicContact CB-CD1 3.46Å; A211-L306 VanDerWaalsContact CB-CD1 3.46Å; L302-L306 HydrophobicContact CG-CD1 4.32Å; L302-L306 PolarHBondContact O-N 2.75Å; L303-L306 PolarHBondContact O-N 3.33Å; L303-L306 VanDerWaalsContact O-N 3.12Å; Y304-L306 VanDerWaalsContact C-N 3.35Å; Y304-L306 PolarHBondContact O-N 3.43Å; L306-L310 WeakPolarHBondContact O-CD2 3.44Å; L306-L310 WeakPolarHBondContact O-CG 3.31Å
307	T	81.1	Confident	76.2	Confident	15 Å²	15	74.9 Å²	74.9	9%	0.092	39%	0.394	C	S	.	.	H	α-helix	trans	-92.5	-36.5	179.7	57	0	0	0	0	113.2	A278 Q279 L303 Y304 H305 L310	A278-T307 HydrophobicContact CB-CG2 3.62Å; Q279-T307 HydrophobicContact CB-CG2 4.35Å; L303-T307 WeakPolarHBondContact O-CG2 3.44Å; L303-T307 PolarHBondContact O-N 3.2Å; L303-T307 VanDerWaalsContact O-N 3.07Å; L303-T307 PolarHBondContact O-OG1 3.24Å; Y304-T307 PolarHBondContact O-N 3.23Å; Y304-T307 PolarHBondContact O-OG1 2.71Å; Y304-T307 VanDerWaalsContact O-OG1 3.08Å; H305-T307 VanDerWaalsContact C-N 3.33Å; T307-L310 VanDerWaalsContact O-CD1 3.32Å; T307-L310 WeakPolarHBondContact O-CD1 3.3Å; T307-L310 WeakPolarHBondContact O-CG 3.43Å
308	N	76.4	Confident	76.3	Confident	74 Å²	74	72.2 Å²	72.2	40%	0.396	38%	0.376	S	S	.	.	H	α-helix	trans	-97.1	-15.8	-168.4	-69.7	25	0	0	0	114.4	Y304 L310	Y304-N308 HydrophobicContact CE1-CB 4.19Å; Y304-N308 WeakPolarHBondContact CE2-ND2 3.28Å; Y304-N308 VanDerWaalsContact O-CB 3.32Å; Y304-N308 WeakPolarHBondContact O-CB 3.3Å; Y304-N308 PolarHBondContact O-N 3.3Å; Y304-N308 PolarHBondContact OH-ND2 3.01Å; Y304-N308 VanDerWaalsContact OH-ND2 3.13Å; N308-L310 VanDerWaalsContact C-N 3.27Å; N308-L310 PolarHBondContact O-N 3.32Å
309	N	67.3	Low	77.1	Confident	124 Å²	124	75.6 Å²	75.6	66%	0.663	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	18.9	175.1	-67.4	-33.3	0	0	0	112.8	H305	H305-N309 WeakPolarHBondContact O-CB 3.17Å; H305-N309 PolarHBondContact O-N 3.43Å; H305-N309 PolarHBondContact O-ND2 3.5Å
310	L	68.3	Low	78.2	Confident	57 Å²	57	77.5 Å²	77.5	30%	0.298	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-79	127.5	178.3	-62.1	173.4	0	0	0	109.5	P201 N203 L306 T307 N308 Q312	P201-L310 HydrophobicContact CG-CD1 3.68Å; P201-L310 HydrophobicContact CG-CD2 3.54Å; P201-L310 HydrophobicContact CG-CG 4.27Å; N203-L310 VanDerWaalsContact ND2-CD2 3.35Å; N203-L310 WeakPolarHBondContact ND2-CD2 3.36Å; L306-L310 WeakPolarHBondContact O-CD2 3.44Å; L306-L310 WeakPolarHBondContact O-CG 3.31Å; T307-L310 VanDerWaalsContact O-CD1 3.32Å; T307-L310 WeakPolarHBondContact O-CD1 3.3Å; T307-L310 WeakPolarHBondContact O-CG 3.43Å; N308-L310 VanDerWaalsContact C-N 3.27Å; N308-L310 PolarHBondContact O-N 3.32Å; L310-Q312 PolarHBondContact O-N 2.96Å
311	L	66.4	Low	79.3	Confident	162 Å²	162	79.5 Å²	79.5	85%	0.848	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-58.8	126.6	169.7	-67.8	173.3	0	0	0	108.5
312	Q	71.7	Confident	80	Confident	138 Å²	138	78.8 Å²	78.8	65%	0.645	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-58.9	140.1	174	-70.8	177.6	-25.8	0	0	109.4	L310 H314 I385	L310-Q312 PolarHBondContact O-N 2.96Å; Q312-H314 PolarHBondContact O-CD2 3.17Å; Q312-H314 PolarHBondContact O-N 2.83Å; Q312-I385 HydrophobicContact CB-CD1 4.08Å; Q312-I385 HydrophobicContact CG-CD1 4.28Å
313	V	77.1	Confident	80.5	Confident	43 Å²	43	79.2 Å²	79.2	26%	0.261	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	105.1	179.4	178.9	0	0	0	0	108.5	L315 E382 I384 I385	V313-L315 HydrophobicContact CG1-CD2 4.39Å; V313-E382 HydrophobicContact CG2-CG 4.47Å; V313-I384 HydrophobicContact CB-CG2 4.12Å; V313-I384 HydrophobicContact CG1-CG2 3.96Å; V313-I384 WeakPolarHBondContact O-CA 3.49Å; V313-I385 PolarHBondContact O-N 3.08Å
314	H	83.9	Confident	80.5	Confident	93 Å²	93	81.5 Å²	81.5	43%	0.431	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	128.2	176	-75.8	-101	0	0	0	111	Q312 I385 D387	Q312-H314 PolarHBondContact O-CD2 3.17Å; Q312-H314 PolarHBondContact O-N 2.83Å; H314-I385 CarbonylContact C-O 3.5Å; H314-I385 WeakPolarHBondContact CA-O 3.34Å; H314-D387 WeakPolarHBondContact CB-OD2 3.23Å; H314-D387 IonicContact CE1-OD1 3.34Å; H314-D387 IonicContact CG-OD2 2.92Å; H314-D387 IonicContact ND1-OD1 2.56Å; H314-D387 PolarHBondContact ND1-OD1 3.43Å; H314-D387 VanDerWaalsContact ND1-OD1 3.15Å; H314-D387 IonicContact ND1-OD2 2.99Å; H314-D387 PolarHBondContact ND1-OD2 2.93Å
315	L	82.2	Confident	80.5	Confident	40 Å²	40	76.6 Å²	76.6	21%	0.209	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	115.8	172.4	-59.3	-176.4	0	0	0	108.8	V313 L353 I384 I385 V386 D387	V313-L315 HydrophobicContact CG1-CD2 4.39Å; L315-L353 HydrophobicContact CD1-CD1 3.81Å; L315-L353 HydrophobicContact CD1-CD2 3.78Å; L315-L353 HydrophobicContact CD1-CG 4.46Å; L315-I384 HydrophobicContact CD1-CB 4.2Å; L315-I384 HydrophobicContact CD1-CD1 3.96Å; L315-I384 HydrophobicContact CD1-CG1 4.19Å; L315-I384 HydrophobicContact CD1-CG2 4.38Å; L315-I384 HydrophobicContact CG-CB 4.36Å; L315-I385 PolarHBondContact N-O 3.35Å; L315-V386 WeakPolarHBondContact O-CA 2.99Å; L315-D387 PolarHBondContact O-N 3.33Å
316	Q	84.2	Confident	80.7	Confident	152 Å²	152	75.1 Å²	75.1	71%	0.71	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	129.1	174.3	-67.1	-174.8	-7.3	0	0	110.5	T318	Q316-T318 PolarHBondContact O-N 3.29Å
317	V	82.7	Confident	80.9	Confident	7 Å²	7	81.8 Å²	81.8	4%	0.042	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-72.6	126.1	173.6	-179.3	0	0	0	0	109.3	Q321 F332 V386 D387 Y389	V317-Q321 HydrophobicContact CG1-CB 3.89Å; V317-F332 HydrophobicContact CB-CD1 4.49Å; V317-F332 HydrophobicContact CB-CG 4.47Å; V317-F332 HydrophobicContact CG1-CB 3.71Å; V317-F332 HydrophobicContact CG1-CD1 4.38Å; V317-F332 HydrophobicContact CG1-CD2 4.27Å; V317-F332 HydrophobicContact CG1-CG 3.88Å; V317-F332 HydrophobicContact CG2-CB 3.91Å; V317-F332 HydrophobicContact CG2-CD1 3.43Å; V317-F332 VanDerWaalsContact CG2-CD1 3.43Å; V317-F332 HydrophobicContact CG2-CE1 4.12Å; V317-F332 HydrophobicContact CG2-CG 3.77Å; V317-V386 HydrophobicContact CG2-CG1 3.56Å; V317-D387 WeakPolarHBondContact CG2-O 3.45Å; V317-D387 PolarHBondContact N-O 3.44Å; V317-Y389 WeakPolarHBondContact O-CD2 2.93Å
318	T	83	Confident	81.1	Confident	58 Å²	58	83.7 Å²	83.7	36%	0.356	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-73.7	160.2	177.1	84.3	0	0	0	0	111.2	Q316 E320 Q321 Y322	Q316-T318 PolarHBondContact O-N 3.29Å; T318-E320 VanDerWaalsContact CB-OE2 3.28Å; T318-E320 WeakPolarHBondContact CB-OE2 3.31Å; T318-E320 PolarHBondContact O-N 3.03Å; T318-E320 PolarHBondContact OG1-N 2.98Å; T318-E320 PolarHBondContact OG1-OE2 3.4Å; T318-Q321 PolarHBondContact O-N 3.4Å; T318-Q321 WeakPolarHBondContact OG1-CG 3.5Å; T318-Q321 PolarHBondContact OG1-N 3.02Å; T318-Y322 WeakPolarHBondContact O-CB 3.35Å; T318-Y322 PolarHBondContact O-N 3.42Å
319	K	87.1	Confident	81.6	Confident	101 Å²	101	83.7 Å²	83.7	44%	0.439	43%	0.433	S	S	.	.	H	α-helix	trans	-57.4	-41.2	176.2	-178.5	-177.4	174.2	-173.6	0	111.6	Y322 Q323 Y389	K319-Y322 PolarHBondContact O-N 3.38Å; K319-Q323 WeakPolarHBondContact O-CB 3.38Å; K319-Q323 VanDerWaalsContact O-CG 3.27Å; K319-Q323 WeakPolarHBondContact O-CG 3.46Å; K319-Q323 PolarHBondContact O-N 3.4Å; K319-Y389 HydrophobicContact CB-CD2 4.48Å; K319-Y389 HydrophobicContact CB-CE1 4.32Å; K319-Y389 HydrophobicContact CB-CE2 3.82Å; K319-Y389 HydrophobicContact CG-CE1 4.18Å; K319-Y389 HydrophobicContact CG-CE2 4.47Å
320	E	85.1	Confident	82.6	Confident	122 Å²	122	79 Å²	79	57%	0.57	41%	0.409	S	S	*	.	H	α-helix	trans	-67.1	-43.3	-178.9	-57.4	69.3	-146.6	0	0	110.8	T318 Q323 L324	T318-E320 VanDerWaalsContact CB-OE2 3.28Å; T318-E320 WeakPolarHBondContact CB-OE2 3.31Å; T318-E320 PolarHBondContact O-N 3.03Å; T318-E320 PolarHBondContact OG1-N 2.98Å; T318-E320 PolarHBondContact OG1-OE2 3.4Å; E320-Q323 PolarHBondContact O-N 3.12Å; E320-L324 WeakPolarHBondContact O-CB 3.49Å; E320-L324 PolarHBondContact O-N 3.42Å
321	Q	83.4	Confident	83.5	Confident	56 Å²	56	79 Å²	79	26%	0.262	41%	0.412	S	S	.	.	H	α-helix	trans	-61	-48	174.5	-75.2	174.8	-19	0	0	111	V317 T318 Q323 L324 Y325 F332	V317-Q321 HydrophobicContact CG1-CB 3.89Å; T318-Q321 PolarHBondContact O-N 3.4Å; T318-Q321 WeakPolarHBondContact OG1-CG 3.5Å; T318-Q321 PolarHBondContact OG1-N 3.02Å; Q321-Q323 PolarHBondContact O-N 3.28Å; Q321-L324 PolarHBondContact O-N 3.5Å; Q321-Y325 WeakPolarHBondContact O-CD2 3.49Å; Q321-Y325 PolarHBondContact O-N 3.21Å; Q321-F332 HydrophobicContact CB-CD2 3.78Å; Q321-F332 HydrophobicContact CB-CE2 4.17Å; Q321-F332 VanDerWaalsContact CD-CE2 3.42Å; Q321-F332 HydrophobicContact CG-CD2 4.1Å; Q321-F332 HydrophobicContact CG-CE2 3.97Å
322	Y	86.6	Confident	84.6	Confident	86 Å²	86	72.4 Å²	72.4	34%	0.337	38%	0.376	S	S	.	.	H	α-helix	trans	-56.2	-50.9	176.8	174.3	-96.2	0	0	0	111.8	T318 K319 L324 Y325 C326 Y389	T318-Y322 WeakPolarHBondContact O-CB 3.35Å; T318-Y322 PolarHBondContact O-N 3.42Å; K319-Y322 PolarHBondContact O-N 3.38Å; Y322-L324 PolarHBondContact O-N 3.48Å; Y322-Y325 PolarHBondContact O-N 3.36Å; Y322-C326 VanDerWaalsContact CZ-SG 3.53Å; Y322-C326 PolarHBondContact O-N 3.44Å; Y322-C326 PolarHBondContact O-SG 3.07Å; Y322-Y389 AromaticContact CD1-CD1 3.73Å; Y322-Y389 HydrophobicContact CD1-CD1 3.73Å; Y322-Y389 HydrophobicContact CD1-CE1 4.32Å; Y322-Y389 HydrophobicContact CD2-CD1 4.15Å; Y322-Y389 HydrophobicContact CE1-CD1 4.32Å; Y322-Y389 AromaticContact CG-CD1 3.64Å; Y322-Y389 HydrophobicContact CG-CD1 3.64Å; Y322-Y389 HydrophobicContact CG-CG 4.13Å
323	Q	87.9	Confident	85.4	Confident	90 Å²	90	66.8 Å²	66.8	42%	0.421	35%	0.35	S	S	.	.	H	α-helix	trans	-58.5	-47.6	179.8	-74.7	175.8	-30	0	0	112.1	K319 E320 Q321 Y325 C326 E327	K319-Q323 WeakPolarHBondContact O-CB 3.38Å; K319-Q323 VanDerWaalsContact O-CG 3.27Å; K319-Q323 WeakPolarHBondContact O-CG 3.46Å; K319-Q323 PolarHBondContact O-N 3.4Å; E320-Q323 PolarHBondContact O-N 3.12Å; Q321-Q323 PolarHBondContact O-N 3.28Å; Q323-Y325 PolarHBondContact O-N 3.49Å; Q323-C326 PolarHBondContact O-N 3.36Å; Q323-E327 WeakPolarHBondContact O-CG 3.4Å; Q323-E327 PolarHBondContact O-N 2.88Å
324	L	84.7	Confident	86.2	Confident	53 Å²	53	66.6 Å²	66.6	28%	0.277	35%	0.347	S	S	.	.	H	α-helix	trans	-59.1	-45.5	178.9	-178.9	70	0	0	0	112	E320 Q321 Y322 E327 M328 P452 P453	E320-L324 WeakPolarHBondContact O-CB 3.49Å; E320-L324 PolarHBondContact O-N 3.42Å; Q321-L324 PolarHBondContact O-N 3.5Å; Y322-L324 PolarHBondContact O-N 3.48Å; L324-E327 PolarHBondContact O-N 3.09Å; L324-M328 HydrophobicContact CD2-CE 4.48Å; L324-M328 HydrophobicContact CG-CE 3.99Å; L324-M328 WeakPolarHBondContact O-CG 3.42Å; L324-M328 PolarHBondContact O-N 3.22Å; L324-P452 HydrophobicContact CD2-CB 4.17Å; L324-P453 VanDerWaalsContact CD2-CD 3.48Å; L324-P453 HydrophobicContact CD2-CG 4.36Å
325	Y	85	Confident	86.6	Confident	21 Å²	21	62.1 Å²	62.1	8%	0.082	33%	0.327	C	S	.	.	H	α-helix	trans	-68.1	-39.1	179.9	-82.3	-70.3	0	0	0	112	Q321 Y322 Q323 E327 M328 G329 S330 F332 K336	Q321-Y325 WeakPolarHBondContact O-CD2 3.49Å; Q321-Y325 PolarHBondContact O-N 3.21Å; Y322-Y325 PolarHBondContact O-N 3.36Å; Q323-Y325 PolarHBondContact O-N 3.49Å; Y325-E327 VanDerWaalsContact C-N 3.35Å; Y325-E327 PolarHBondContact O-N 3Å; Y325-M328 HydrophobicContact CD1-CE 3.63Å; Y325-M328 HydrophobicContact CE1-CE 3.8Å; Y325-M328 HydrophobicContact CG-CE 4.23Å; Y325-M328 PolarHBondContact O-N 3.3Å; Y325-G329 PolarHBondContact O-N 3.45Å; Y325-S330 CarbonylContact C-O 3.38Å; Y325-S330 CarbonylContact O-C 3.54Å; Y325-S330 PolarHBondContact O-N 2.72Å; Y325-F332 HydrophobicContact CD2-CB 3.68Å; Y325-F332 AromaticContact CD2-CD2 3.62Å; Y325-F332 HydrophobicContact CD2-CD2 3.62Å; Y325-F332 HydrophobicContact CD2-CG 4.09Å; Y325-F332 HydrophobicContact CE2-CB 4.07Å; Y325-F332 AromaticContact CE2-CD2 3.26Å; Y325-F332 HydrophobicContact CE2-CD2 3.26Å; Y325-F332 HydrophobicContact CE2-CE2 4.01Å; Y325-F332 HydrophobicContact CE2-CG 4Å; Y325-F332 HydrophobicContact CG-CB 4.29Å; Y325-K336 HydrophobicContact CE1-CD 3.87Å
326	C	86.9	Confident	87.1	Confident	65 Å²	65	63.3 Å²	63.3	44%	0.439	33%	0.33	S	S	.	.	H	α-helix	trans	-60	-41.7	173.4	-70.6	0	0	0	0	112.6	Y322 Q323 M328 G329	Y322-C326 VanDerWaalsContact CZ-SG 3.53Å; Y322-C326 PolarHBondContact O-N 3.44Å; Y322-C326 PolarHBondContact O-SG 3.07Å; Q323-C326 PolarHBondContact O-N 3.36Å; C326-M328 PolarHBondContact O-N 3.11Å; C326-G329 PolarHBondContact O-N 2.85Å; C326-G329 VanDerWaalsContact O-N 3.13Å
327	E	88.4	Confident	87.4	Confident	160 Å²	160	59.7 Å²	59.7	75%	0.748	32%	0.315	S	S	*	.	H	α-helix	trans	-61.9	-31.7	176.8	-73.9	173.7	-173.8	0	0	112.7	Q323 L324 Y325 G329	Q323-E327 WeakPolarHBondContact O-CG 3.4Å; Q323-E327 PolarHBondContact O-N 2.88Å; L324-E327 PolarHBondContact O-N 3.09Å; Y325-E327 VanDerWaalsContact C-N 3.35Å; Y325-E327 PolarHBondContact O-N 3Å; E327-G329 VanDerWaalsContact C-N 3.34Å
328	M	84.9	Confident	87.9	Confident	55 Å²	55	60.8 Å²	60.8	27%	0.271	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	1.6	177.9	-63.4	-175.2	-60.8	0	0	113.8	L324 Y325 C326 S330 P452	L324-M328 HydrophobicContact CD2-CE 4.48Å; L324-M328 HydrophobicContact CG-CE 3.99Å; L324-M328 WeakPolarHBondContact O-CG 3.42Å; L324-M328 PolarHBondContact O-N 3.22Å; Y325-M328 HydrophobicContact CD1-CE 3.63Å; Y325-M328 HydrophobicContact CE1-CE 3.8Å; Y325-M328 HydrophobicContact CG-CE 4.23Å; Y325-M328 PolarHBondContact O-N 3.3Å; C326-M328 PolarHBondContact O-N 3.11Å; M328-S330 VanDerWaalsContact C-N 3.32Å; M328-S330 PolarHBondContact O-N 3.14Å; M328-P452 HydrophobicContact CE-CG 4.41Å
329	G	86.6	Confident	88.4	Confident	75 Å²	75	62.4 Å²	62.4	77%	0.773	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.9	27.9	-177.3	0	0	0	0	0	114.1	Y325 C326 E327	Y325-G329 PolarHBondContact O-N 3.45Å; C326-G329 PolarHBondContact O-N 2.85Å; C326-G329 VanDerWaalsContact O-N 3.13Å; E327-G329 VanDerWaalsContact C-N 3.34Å
330	S	88.8	Confident	88.7	Confident	24 Å²	24	64.9 Å²	64.9	17%	0.168	34%	0.342	C	S	.	.			trans	-132.7	179.1	178.4	-168.9	0	0	0	0	110	Y325 M328 K336 D339	Y325-S330 CarbonylContact C-O 3.38Å; Y325-S330 CarbonylContact O-C 3.54Å; Y325-S330 PolarHBondContact O-N 2.72Å; M328-S330 VanDerWaalsContact C-N 3.32Å; M328-S330 PolarHBondContact O-N 3.14Å; S330-K336 PolarHBondContact OG-NZ 3.04Å; S330-D339 PolarHBondContact OG-OD1 3.1Å
331	T	87.3	Confident	89.2	Confident	59 Å²	59	62 Å²	62	36%	0.362	33%	0.331	S	S	.	.			trans	-120	157.6	174.8	84.9	0	0	0	0	110.9	E333 L334 K336	T331-E333 VanDerWaalsContact C-N 3.25Å; T331-E333 WeakPolarHBondContact CB-OE2 3.43Å; T331-E333 PolarHBondContact O-N 3.39Å; T331-E333 PolarHBondContact OG1-OE2 3.35Å; T331-L334 HydrophobicContact CG2-CD1 4.46Å; T331-L334 PolarHBondContact OG1-N 3.45Å; T331-K336 WeakPolarHBondContact O-CE 3.34Å; T331-K336 PolarHBondContact O-NZ 3.11Å
332	F	88	Confident	89.7	Confident	22 Å²	22	64 Å²	64	10%	0.096	34%	0.343	C	S	.	.	S	Bend	trans	-65.8	-34.9	179.3	-177.6	-81.8	0	0	0	110.9	V317 Q321 Y325 L334 K343 L353 V386	V317-F332 HydrophobicContact CB-CD1 4.49Å; V317-F332 HydrophobicContact CB-CG 4.47Å; V317-F332 HydrophobicContact CG1-CB 3.71Å; V317-F332 HydrophobicContact CG1-CD1 4.38Å; V317-F332 HydrophobicContact CG1-CD2 4.27Å; V317-F332 HydrophobicContact CG1-CG 3.88Å; V317-F332 HydrophobicContact CG2-CB 3.91Å; V317-F332 HydrophobicContact CG2-CD1 3.43Å; V317-F332 VanDerWaalsContact CG2-CD1 3.43Å; V317-F332 HydrophobicContact CG2-CE1 4.12Å; V317-F332 HydrophobicContact CG2-CG 3.77Å; Q321-F332 HydrophobicContact CB-CD2 3.78Å; Q321-F332 HydrophobicContact CB-CE2 4.17Å; Q321-F332 VanDerWaalsContact CD-CE2 3.42Å; Q321-F332 HydrophobicContact CG-CD2 4.1Å; Q321-F332 HydrophobicContact CG-CE2 3.97Å; Y325-F332 HydrophobicContact CD2-CB 3.68Å; Y325-F332 AromaticContact CD2-CD2 3.62Å; Y325-F332 HydrophobicContact CD2-CD2 3.62Å; Y325-F332 HydrophobicContact CD2-CG 4.09Å; Y325-F332 HydrophobicContact CE2-CB 4.07Å; Y325-F332 AromaticContact CE2-CD2 3.26Å; Y325-F332 HydrophobicContact CE2-CD2 3.26Å; Y325-F332 HydrophobicContact CE2-CE2 4.01Å; Y325-F332 HydrophobicContact CE2-CG 4Å; Y325-F332 HydrophobicContact CG-CB 4.29Å; F332-L334 PolarHBondContact O-N 2.91Å; F332-K343 VanDerWaalsContact O-CD 3.32Å; F332-K343 WeakPolarHBondContact O-CD 3.29Å; F332-K343 VanDerWaalsContact O-CE 3.31Å; F332-K343 WeakPolarHBondContact O-CE 3.24Å; F332-K343 PolarHBondContact O-NZ 3.39Å; F332-L353 HydrophobicContact CE1-CD1 3.92Å; F332-L353 HydrophobicContact CZ-CD1 3.95Å; F332-V386 HydrophobicContact CD1-CG1 3.62Å; F332-V386 HydrophobicContact CE1-CG1 3.82Å
333	E	89.8	Confident	90	Very high	21 Å²	21	60.5 Å²	60.5	10%	0.098	33%	0.33	C	S	.	.	S	Bend	trans	-66.9	-37.6	-173.2	-54.6	73.5	-161	0	0	111.6	T331 N342 K343 V386 P388	T331-E333 VanDerWaalsContact C-N 3.25Å; T331-E333 WeakPolarHBondContact CB-OE2 3.43Å; T331-E333 PolarHBondContact O-N 3.39Å; T331-E333 PolarHBondContact OG1-OE2 3.35Å; E333-N342 CarbonylContact O-C 3.1Å; E333-N342 WeakPolarHBondContact O-CA 3.47Å; E333-K343 WeakPolarHBondContact O-CB 3.25Å; E333-K343 WeakPolarHBondContact O-CG 3.49Å; E333-K343 PolarHBondContact O-N 3.09Å; E333-V386 HydrophobicContact CG-CB 4.49Å; E333-V386 HydrophobicContact CG-CG1 4Å; E333-P388 HydrophobicContact CG-CG 4.07Å; E333-P388 VanDerWaalsContact OE1-CA 3.23Å; E333-P388 WeakPolarHBondContact OE1-CA 3.23Å; E333-P388 VanDerWaalsContact OE1-CB 3.31Å; E333-P388 WeakPolarHBondContact OE1-CB 3.33Å
334	L	92.9	Very high	90.3	Very high	38 Å²	38	58.8 Å²	58.8	20%	0.199	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-63.6	138.6	-177.4	-70.4	172.2	0	0	0	112.6	T331 F332 K336 K343	T331-L334 HydrophobicContact CG2-CD1 4.46Å; T331-L334 PolarHBondContact OG1-N 3.45Å; F332-L334 PolarHBondContact O-N 2.91Å; L334-K336 WeakPolarHBondContact O-CE 3.45Å; L334-K336 PolarHBondContact O-N 3.16Å; L334-K336 PolarHBondContact O-NZ 2.93Å; L334-K336 VanDerWaalsContact O-NZ 3.11Å; L334-K343 VanDerWaalsContact O-CE 3.24Å; L334-K343 WeakPolarHBondContact O-CE 3.39Å
335	C	94.1	Very high	90.6	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.31	C	S	.	.			trans	-66.3	126.3	174.3	176.6	0	0	0	0	110.1	I337 D339 N341 C355	C335-I337 PolarHBondContact O-N 2.73Å; C335-D339 VanDerWaalsContact O-CA 3.26Å; C335-D339 WeakPolarHBondContact O-CA 3.45Å; C335-D339 PolarHBondContact O-N 3.46Å; C335-N341 WeakPolarHBondContact CB-O 3.35Å; C335-N341 PolarHBondContact N-O 2.74Å; C335-C355 HydrophobicContact CB-CB 3.85Å; C335-C355 PolarHBondContact SG-N 3.4Å; C335-C355 VanDerWaalsContact SG-N 3.43Å; C335-C355 VanDerWaalsContact SG-SG 3.64Å
336	K	90.8	Very high	91	Very high	65 Å²	65	57.1 Å²	57.1	28%	0.283	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	12.7	-175.7	-53.5	-61.5	149	-149.8	0	114.7	Y325 S330 T331 L334 D339 F373	Y325-K336 HydrophobicContact CE1-CD 3.87Å; S330-K336 PolarHBondContact OG-NZ 3.04Å; T331-K336 WeakPolarHBondContact O-CE 3.34Å; T331-K336 PolarHBondContact O-NZ 3.11Å; L334-K336 WeakPolarHBondContact O-CE 3.45Å; L334-K336 PolarHBondContact O-N 3.16Å; L334-K336 PolarHBondContact O-NZ 2.93Å; L334-K336 VanDerWaalsContact O-NZ 3.11Å; K336-D339 IonicContact NZ-OD1 3.35Å; K336-F373 HydrophobicContact CB-CE1 4.33Å
337	I	91.5	Very high	91.2	Very high	75 Å²	75	54 Å²	54	39%	0.385	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-50.4	174.9	-61.3	178.6	0	0	0	110.6	C335 I354 C358 P372 F373	C335-I337 PolarHBondContact O-N 2.73Å; I337-I354 HydrophobicContact CD1-CD1 3.39Å; I337-I354 HydrophobicContact CD1-CG1 3.88Å; I337-C358 HydrophobicContact CB-CB 4.12Å; I337-C358 HydrophobicContact CD1-CB 4.25Å; I337-C358 HydrophobicContact CG2-CB 4.07Å; I337-P372 HydrophobicContact CD1-CB 3.7Å; I337-P372 HydrophobicContact CD1-CG 4Å; I337-F373 HydrophobicContact CD1-CE1 4.38Å; I337-F373 HydrophobicContact CD1-CE2 4.3Å; I337-F373 HydrophobicContact CD1-CZ 3.87Å; I337-F373 HydrophobicContact CG1-CE1 4.03Å; I337-F373 HydrophobicContact CG1-CZ 3.81Å
338	C	93.8	Very high	91.2	Very high	30 Å²	30	46.5 Å²	46.5	20%	0.203	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-23.4	177.1	55.8	0	0	0	0	113.9	E340 C355 C358	C338-E340 HydrophobicContact CB-CB 4.31Å; C338-E340 WeakPolarHBondContact O-CG 3.3Å; C338-E340 PolarHBondContact O-N 3.42Å; C338-E340 VanDerWaalsContact O-N 3.08Å; C338-C355 VanDerWaalsContact SG-SG 3.67Å; C338-C358 VanDerWaalsContact CB-SG 3.57Å
339	D	92	Very high	91.3	Very high	92 Å²	92	44.8 Å²	44.8	49%	0.492	25%	0.25	S	C	.	.	S	Bend	trans	54.4	19.8	-171.4	-149.7	38.4	0	0	0	114.8	S330 C335 K336	S330-D339 PolarHBondContact OG-OD1 3.1Å; C335-D339 VanDerWaalsContact O-CA 3.26Å; C335-D339 WeakPolarHBondContact O-CA 3.45Å; C335-D339 PolarHBondContact O-N 3.46Å; K336-D339 IonicContact NZ-OD1 3.35Å
340	E	94.2	Very high	91.5	Very high	153 Å²	153	42 Å²	42	72%	0.715	22%	0.219	S	C	*	.	S	Bend	trans	-117.3	-44.5	-177.4	-72.4	170	179.4	0	0	112.2	C338	C338-E340 HydrophobicContact CB-CB 4.31Å; C338-E340 WeakPolarHBondContact O-CG 3.3Å; C338-E340 PolarHBondContact O-N 3.42Å; C338-E340 VanDerWaalsContact O-N 3.08Å
341	N	94.9	Very high	91.5	Very high	63 Å²	63	42.5 Å²	42.5	34%	0.337	23%	0.227	S	C	.	.	S	Bend	trans	-99.7	147	-174.1	-64.7	-72.6	0	0	0	110.9	C335 C355	C335-N341 WeakPolarHBondContact CB-O 3.35Å; C335-N341 PolarHBondContact N-O 2.74Å; N341-C355 HydrophobicContact CB-CB 3.71Å
342	N	94.6	Very high	91.7	Very high	98 Å²	98	42.9 Å²	42.9	52%	0.524	23%	0.225	S	C	.	.	B	Isolated β-bridge	trans	-66.8	147.2	170.7	-71.2	-22.8	0	0	0	111.2	E333 D344 C355	E333-N342 CarbonylContact O-C 3.1Å; E333-N342 WeakPolarHBondContact O-CA 3.47Å; N342-D344 PolarHBondContact O-N 3.39Å; N342-C355 WeakPolarHBondContact O-CB 3.35Å
343	K	93.5	Very high	92	Very high	12 Å²	12	43 Å²	43	5%	0.052	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-62.6	120	166.3	-68.6	159.6	176.2	169.8	0	107.9	F332 E333 L334 L353 V386	F332-K343 VanDerWaalsContact O-CD 3.32Å; F332-K343 WeakPolarHBondContact O-CD 3.29Å; F332-K343 VanDerWaalsContact O-CE 3.31Å; F332-K343 WeakPolarHBondContact O-CE 3.24Å; F332-K343 PolarHBondContact O-NZ 3.39Å; E333-K343 WeakPolarHBondContact O-CB 3.25Å; E333-K343 WeakPolarHBondContact O-CG 3.49Å; E333-K343 PolarHBondContact O-N 3.09Å; L334-K343 VanDerWaalsContact O-CE 3.24Å; L334-K343 WeakPolarHBondContact O-CE 3.39Å; K343-L353 HydrophobicContact CB-CB 4.12Å; K343-L353 HydrophobicContact CD-CB 3.67Å; K343-L353 HydrophobicContact CD-CD1 4.19Å; K343-L353 HydrophobicContact CG-CB 3.94Å; K343-V386 HydrophobicContact CB-CG2 4.19Å
344	D	93.7	Very high	92.2	Very high	53 Å²	53	42 Å²	42	28%	0.283	22%	0.222	S	C	.	.			trans	-128.7	-0.4	-179.6	61.2	6.3	0	0	0	111.4	N342 I354 C355 K356 I384	N342-D344 PolarHBondContact O-N 3.39Å; D344-I354 PolarHBondContact N-O 3.38Å; D344-C355 VanDerWaalsContact OD1-C 3.25Å; D344-C355 WeakPolarHBondContact OD1-CA 3.32Å; D344-K356 WeakPolarHBondContact OD1-CG 3.48Å; D344-K356 PolarHBondContact OD1-N 2.98Å; D344-K356 WeakPolarHBondContact OD2-CG 3.26Å; D344-K356 PolarHBondContact OD2-N 2.88Å; D344-I384 CarbonylContact C-O 3.51Å; D344-I384 WeakPolarHBondContact CA-O 3.42Å; D344-I384 PolarHBondContact O-N 2.97Å
345	T	91.8	Very high	92.3	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.006	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	131.3	-174.8	-52.1	0	0	0	0	110.9	L353 I354 K356 L359 T381 E382	T345-L353 WeakPolarHBondContact O-CA 3.05Å; T345-I354 WeakPolarHBondContact CB-O 3.37Å; T345-I354 HydrophobicContact CG2-CG2 4.39Å; T345-I354 PolarHBondContact N-O 3.11Å; T345-I354 PolarHBondContact O-N 2.97Å; T345-I354 VanDerWaalsContact O-O 3.1Å; T345-K356 WeakPolarHBondContact OG1-CG 3.16Å; T345-L359 HydrophobicContact CG2-CD2 3.84Å; T345-T381 HydrophobicContact CG2-CG2 4.23Å; T345-E382 WeakPolarHBondContact CA-O 3.39Å
346	R	91.9	Very high	92.2	Very high	39 Å²	39	44.9 Å²	44.9	15%	0.147	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	129.7	168	-179.5	164	69.3	175.6	8.7	110.3	L353 T381 E382 I384	R346-L353 HydrophobicContact CB-CD2 3.69Å; R346-L353 HydrophobicContact CG-CD2 3.9Å; R346-T381 CarbonylContact O-C 3.41Å; R346-T381 VanDerWaalsContact O-CA 3.25Å; R346-T381 WeakPolarHBondContact O-CA 3.45Å; R346-E382 IonicContact CZ-OE2 3.66Å; R346-E382 PolarHBondContact N-O 3.25Å; R346-E382 IonicContact NE-OE2 3.72Å; R346-E382 PolarHBondContact NE-OE2 3.44Å; R346-E382 IonicContact NH2-OE1 2.93Å; R346-E382 IonicContact NH2-OE2 3.63Å; R346-E382 PolarHBondContact NH2-OE2 2.81Å; R346-E382 PolarHBondContact O-N 2.75Å; R346-I384 HydrophobicContact CB-CG1 4.28Å; R346-I384 HydrophobicContact CB-CG2 3.93Å
347	L	91.1	Very high	92.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	139.5	175.8	-58.1	-178.1	0	0	0	110.9	G351 H352 I354 L359 C371 I378 T381	L347-G351 WeakPolarHBondContact O-CA 3.48Å; L347-G351 PolarHBondContact O-N 3.18Å; L347-H352 HydrophobicContact CD1-CB 4.39Å; L347-H352 PolarHBondContact N-O 3Å; L347-I354 HydrophobicContact CD1-CG2 4.3Å; L347-I354 HydrophobicContact CD2-CG2 3.96Å; L347-I354 HydrophobicContact CG-CG2 4.03Å; L347-L359 HydrophobicContact CD2-CD1 3.74Å; L347-L359 HydrophobicContact CD2-CD2 4.06Å; L347-L359 HydrophobicContact CD2-CG 4.5Å; L347-C371 HydrophobicContact CD1-CB 4.16Å; L347-I378 HydrophobicContact CD1-CD1 4.09Å; L347-I378 HydrophobicContact CD1-CG1 4.4Å; L347-I378 HydrophobicContact CD2-CD1 4.1Å; L347-I378 HydrophobicContact CD2-CG2 4.42Å; L347-T381 HydrophobicContact CD2-CG2 3.89Å
348	E	90	Very high	92.5	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.009	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	141.1	-180	-64	176.4	149.3	0	0	111.3	T133 K134 P135 K379 G380	T133-E348 HydrophobicContact CG2-CB 3.58Å; T133-E348 WeakPolarHBondContact O-CB 3.5Å; K134-E348 WeakPolarHBondContact CD-OE1 3.18Å; K134-E348 VanDerWaalsContact CD-OE2 3.22Å; K134-E348 WeakPolarHBondContact CD-OE2 3.44Å; K134-E348 VanDerWaalsContact CE-OE2 3.32Å; K134-E348 WeakPolarHBondContact CE-OE2 3.41Å; K134-E348 IonicContact NZ-OE1 2.96Å; K134-E348 PolarHBondContact NZ-OE1 2.99Å; K134-E348 IonicContact NZ-OE2 3.59Å; K134-E348 PolarHBondContact NZ-OE2 3.45Å; P135-E348 VanDerWaalsContact CD-OE1 3.28Å; P135-E348 WeakPolarHBondContact CD-OE1 3.44Å; E348-K379 PolarHBondContact O-N 3.3Å; E348-G380 WeakPolarHBondContact CB-O 3.45Å; E348-G380 PolarHBondContact N-O 2.95Å
349	P	86.4	Confident	92.4	Very high	18 Å²	18	41.7 Å²	41.7	12%	0.117	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	cis	-86.1	-5.1	4.7	30.4	-32.2	0	0	0	114.7	R131 G351 L376	R131-P349 HydrophobicContact CB-CB 3.9Å; R131-P349 HydrophobicContact CB-CG 4.19Å; P349-G351 VanDerWaalsContact C-N 3.28Å; P349-G351 PolarHBondContact O-N 3.16Å; P349-L376 HydrophobicContact CG-CD2 3.71Å; P349-L376 HydrophobicContact CG-CG 4.47Å
350	C	90.4	Very high	92.2	Very high	18 Å²	18	43.6 Å²	43.6	12%	0.122	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-21.3	-168.7	65.7	0	0	0	0	115	H352 C371 C374 L376	C350-H352 VanDerWaalsContact C-N 3.29Å; C350-H352 PolarHBondContact O-N 2.77Å; C350-H352 PolarHBondContact SG-ND1 3.06Å; C350-C371 VanDerWaalsContact SG-SG 3.61Å; C350-C374 WeakPolarHBondContact CB-SG 3.28Å; C350-L376 HydrophobicContact CB-CB 4.35Å; C350-L376 HydrophobicContact CB-CD2 3.87Å
351	G	89.2	Confident	92	Very high	33 Å²	33	40 Å²	40	34%	0.34	21%	0.208	S	C	.	.			trans	77.7	3	-179.2	0	0	0	0	0	115.2	L347 P349	L347-G351 WeakPolarHBondContact O-CA 3.48Å; L347-G351 PolarHBondContact O-N 3.18Å; P349-G351 VanDerWaalsContact C-N 3.28Å; P349-G351 PolarHBondContact O-N 3.16Å
352	H	92.5	Very high	91.6	Very high	67 Å²	67	38.7 Å²	38.7	31%	0.31	20%	0.203	S	C	.	.			trans	-64.9	142.8	-180	-72.9	97.5	0	0	0	111.8	L347 C350 C371 F373 C374	L347-H352 HydrophobicContact CD1-CB 4.39Å; L347-H352 PolarHBondContact N-O 3Å; C350-H352 VanDerWaalsContact C-N 3.29Å; C350-H352 PolarHBondContact O-N 2.77Å; C350-H352 PolarHBondContact SG-ND1 3.06Å; H352-C371 PolarHBondContact ND1-SG 3.32Å; H352-C371 VanDerWaalsContact ND1-SG 3.42Å; H352-F373 HydrophobicContact CB-CD2 3.56Å; H352-F373 HydrophobicContact CB-CE2 4.15Å; H352-F373 HydrophobicContact CB-CG 4.37Å; H352-F373 VanDerWaalsContact CD2-CB 3.48Å; H352-F373 WeakPolarHBondContact CD2-CB 3.17Å; H352-F373 AromaticContact CD2-CD2 3.86Å; H352-F373 AromaticContact CD2-CG 3.79Å; H352-F373 AromaticContact CG-CD2 3.76Å; H352-C374 VanDerWaalsContact CE1-CB 3.46Å; H352-C374 WeakPolarHBondContact CE1-CB 3.5Å; H352-C374 PolarHBondContact CE1-SG 2.86Å; H352-C374 PolarHBondContact ND1-SG 3.36Å; H352-C374 VanDerWaalsContact ND1-SG 3.45Å
353	L	93.6	Very high	91	Very high	26 Å²	26	36.7 Å²	36.7	14%	0.136	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	134.5	-179.1	-54.7	-179.5	0	0	0	111	L315 F332 K343 T345 R346 I384	L315-L353 HydrophobicContact CD1-CD1 3.81Å; L315-L353 HydrophobicContact CD1-CD2 3.78Å; L315-L353 HydrophobicContact CD1-CG 4.46Å; F332-L353 HydrophobicContact CE1-CD1 3.92Å; F332-L353 HydrophobicContact CZ-CD1 3.95Å; K343-L353 HydrophobicContact CB-CB 4.12Å; K343-L353 HydrophobicContact CD-CB 3.67Å; K343-L353 HydrophobicContact CD-CD1 4.19Å; K343-L353 HydrophobicContact CG-CB 3.94Å; T345-L353 WeakPolarHBondContact O-CA 3.05Å; R346-L353 HydrophobicContact CB-CD2 3.69Å; R346-L353 HydrophobicContact CG-CD2 3.9Å; L353-I384 HydrophobicContact CD2-CD1 4.25Å; L353-I384 HydrophobicContact CD2-CG1 4.3Å
354	I	94.1	Very high	90.4	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	161.9	-177.1	-166.8	173.5	0	0	0	109.1	I337 D344 T345 L347 C358 L359 P372 F373	I337-I354 HydrophobicContact CD1-CD1 3.39Å; I337-I354 HydrophobicContact CD1-CG1 3.88Å; D344-I354 PolarHBondContact N-O 3.38Å; T345-I354 WeakPolarHBondContact CB-O 3.37Å; T345-I354 HydrophobicContact CG2-CG2 4.39Å; T345-I354 PolarHBondContact N-O 3.11Å; T345-I354 PolarHBondContact O-N 2.97Å; T345-I354 VanDerWaalsContact O-O 3.1Å; L347-I354 HydrophobicContact CD1-CG2 4.3Å; L347-I354 HydrophobicContact CD2-CG2 3.96Å; L347-I354 HydrophobicContact CG-CG2 4.03Å; I354-C358 HydrophobicContact CD1-CB 3.8Å; I354-C358 HydrophobicContact CG1-CB 3.75Å; I354-L359 HydrophobicContact CD1-CB 4.21Å; I354-L359 HydrophobicContact CG2-CB 4.06Å; I354-P372 HydrophobicContact CD1-CG 3.99Å; I354-F373 HydrophobicContact CB-CE2 4.29Å
355	C	95	Very high	89.4	Confident	1 Å²	1	43 Å²	43	1%	0.007	24%	0.236	C	C	.	.			trans	-83.4	152	166.2	70.3	0	0	0	0	111.5	C335 C338 N341 N342 D344 N357 C358 L359	C335-C355 HydrophobicContact CB-CB 3.85Å; C335-C355 PolarHBondContact SG-N 3.4Å; C335-C355 VanDerWaalsContact SG-N 3.43Å; C335-C355 VanDerWaalsContact SG-SG 3.64Å; C338-C355 VanDerWaalsContact SG-SG 3.67Å; N341-C355 HydrophobicContact CB-CB 3.71Å; N342-C355 WeakPolarHBondContact O-CB 3.35Å; D344-C355 VanDerWaalsContact OD1-C 3.25Å; D344-C355 WeakPolarHBondContact OD1-CA 3.32Å; C355-N357 PolarHBondContact O-N 2.9Å; C355-C358 PolarHBondContact O-N 3.42Å; C355-C358 VanDerWaalsContact SG-CB 3.57Å; C355-C358 PolarHBondContact SG-N 3.03Å; C355-C358 PolarHBondContact SG-SG 2.96Å; C355-L359 PolarHBondContact O-N 3.02Å
356	K	92.6	Very high	87.9	Confident	97 Å²	97	46.3 Å²	46.3	42%	0.422	27%	0.27	S	S	.	.	H	α-helix	trans	-54.6	-39.7	177.7	-77.5	177.8	-177.5	-175.3	0	112.1	D344 T345 L359 F360 D383	D344-K356 WeakPolarHBondContact OD1-CG 3.48Å; D344-K356 PolarHBondContact OD1-N 2.98Å; D344-K356 WeakPolarHBondContact OD2-CG 3.26Å; D344-K356 PolarHBondContact OD2-N 2.88Å; T345-K356 WeakPolarHBondContact OG1-CG 3.16Å; K356-L359 PolarHBondContact O-N 3.38Å; K356-F360 WeakPolarHBondContact O-CB 3.42Å; K356-F360 PolarHBondContact O-N 3.41Å; K356-D383 WeakPolarHBondContact CE-OD1 3.28Å; K356-D383 IonicContact NZ-OD1 2.79Å; K356-D383 PolarHBondContact NZ-OD1 3.1Å; K356-D383 IonicContact NZ-OD2 2.99Å; K356-D383 PolarHBondContact NZ-OD2 3.38Å
357	N	94.1	Very high	86.4	Confident	83 Å²	83	50.5 Å²	50.5	44%	0.444	30%	0.295	S	S	.	.	H	α-helix	trans	-61.6	-48.7	179.7	-169.3	43.5	0	0	0	112.2	C355 L359 F360 N361	C355-N357 PolarHBondContact O-N 2.9Å; N357-L359 PolarHBondContact O-N 3.31Å; N357-F360 PolarHBondContact O-N 2.81Å; N357-N361 VanDerWaalsContact O-CG 3.24Å; N357-N361 PolarHBondContact O-N 3.44Å; N357-N361 PolarHBondContact O-ND2 3.16Å
358	C	93.7	Very high	85	Confident	8 Å²	8	51 Å²	51	5%	0.054	30%	0.3	C	S	.	.	H	α-helix	trans	-67.4	-37.4	177.1	-72.2	0	0	0	0	111.9	I337 C338 I354 C355 N361 C362	I337-C358 HydrophobicContact CB-CB 4.12Å; I337-C358 HydrophobicContact CD1-CB 4.25Å; I337-C358 HydrophobicContact CG2-CB 4.07Å; C338-C358 VanDerWaalsContact CB-SG 3.57Å; I354-C358 HydrophobicContact CD1-CB 3.8Å; I354-C358 HydrophobicContact CG1-CB 3.75Å; C355-C358 PolarHBondContact O-N 3.42Å; C355-C358 VanDerWaalsContact SG-CB 3.57Å; C355-C358 PolarHBondContact SG-N 3.03Å; C355-C358 PolarHBondContact SG-SG 2.96Å; C358-N361 PolarHBondContact O-N 3Å; C358-C362 WeakPolarHBondContact O-CB 3.49Å; C358-C362 PolarHBondContact O-N 3.42Å; C358-C362 PolarHBondContact O-SG 2.72Å
359	L	91.1	Very high	84.5	Confident	12 Å²	12	55.6 Å²	55.6	6%	0.063	32%	0.324	C	S	.	.	H	α-helix	trans	-59.8	-48.1	175.3	176.8	59.4	0	0	0	111.4	T345 L347 I354 C355 K356 N357 C362 Q363 I378 T381	T345-L359 HydrophobicContact CG2-CD2 3.84Å; L347-L359 HydrophobicContact CD2-CD1 3.74Å; L347-L359 HydrophobicContact CD2-CD2 4.06Å; L347-L359 HydrophobicContact CD2-CG 4.5Å; I354-L359 HydrophobicContact CD1-CB 4.21Å; I354-L359 HydrophobicContact CG2-CB 4.06Å; C355-L359 PolarHBondContact O-N 3.02Å; K356-L359 PolarHBondContact O-N 3.38Å; N357-L359 PolarHBondContact O-N 3.31Å; L359-C362 PolarHBondContact O-N 3.49Å; L359-Q363 HydrophobicContact CD1-CG 4.44Å; L359-Q363 WeakPolarHBondContact O-CB 3.41Å; L359-Q363 WeakPolarHBondContact O-CG 3.44Å; L359-Q363 PolarHBondContact O-N 2.89Å; L359-I378 HydrophobicContact CD1-CD1 4.06Å; L359-T381 HydrophobicContact CD2-CG2 3.83Å
360	F	89	Confident	84.7	Confident	131 Å²	131	57.1 Å²	57.1	58%	0.575	33%	0.333	S	S	*	.	H	α-helix	trans	-60.5	-46.4	178	-178.7	-99.4	0	0	0	111.7	K356 N357 C362 Q363 S364	K356-F360 WeakPolarHBondContact O-CB 3.42Å; K356-F360 PolarHBondContact O-N 3.41Å; N357-F360 PolarHBondContact O-N 2.81Å; F360-C362 PolarHBondContact O-N 3.3Å; F360-Q363 WeakPolarHBondContact O-CA 3.4Å; F360-Q363 WeakPolarHBondContact O-CB 3.25Å; F360-Q363 PolarHBondContact O-N 3.45Å; F360-S364 PolarHBondContact O-N 2.8Å; F360-S364 PolarHBondContact O-OG 3.26Å
361	N	89.3	Confident	84.7	Confident	77 Å²	77	56.2 Å²	56.2	41%	0.412	33%	0.328	S	S	.	.	H	α-helix	trans	-64.2	-39.7	179.1	-68.7	-13.6	0	0	0	112.6	N357 C358 Q363 S364 T365	N357-N361 VanDerWaalsContact O-CG 3.24Å; N357-N361 PolarHBondContact O-N 3.44Å; N357-N361 PolarHBondContact O-ND2 3.16Å; C358-N361 PolarHBondContact O-N 3Å; N361-Q363 VanDerWaalsContact C-N 3.26Å; N361-Q363 PolarHBondContact O-N 2.86Å; N361-S364 PolarHBondContact O-N 3.23Å; N361-T365 PolarHBondContact O-N 3.48Å; N361-T365 PolarHBondContact O-OG1 3.13Å
362	C	85.4	Confident	84.8	Confident	37 Å²	37	57.2 Å²	57.2	25%	0.25	33%	0.328	C	S	.	.	H	α-helix	trans	-63.2	-34.8	172.6	-69.9	0	0	0	0	111.8	C358 L359 F360 G368 P372	C358-C362 WeakPolarHBondContact O-CB 3.49Å; C358-C362 PolarHBondContact O-N 3.42Å; C358-C362 PolarHBondContact O-SG 2.72Å; L359-C362 PolarHBondContact O-N 3.49Å; F360-C362 PolarHBondContact O-N 3.3Å; C362-G368 WeakPolarHBondContact O-CA 3.35Å; C362-P372 HydrophobicContact CB-CG 4.08Å
363	Q	83.4	Confident	84.8	Confident	55 Å²	55	57.7 Å²	57.7	26%	0.257	33%	0.329	S	S	.	.	H	α-helix	trans	-66.1	-41.6	176.7	-82	171.4	8.9	0	0	113.4	N274 L359 F360 N361 T365 G368	N274-Q363 VanDerWaalsContact ND2-CD 3.32Å; N274-Q363 PolarHBondContact ND2-NE2 3.39Å; N274-Q363 PolarHBondContact ND2-OE1 2.89Å; N274-Q363 VanDerWaalsContact ND2-OE1 3.11Å; L359-Q363 HydrophobicContact CD1-CG 4.44Å; L359-Q363 WeakPolarHBondContact O-CB 3.41Å; L359-Q363 WeakPolarHBondContact O-CG 3.44Å; L359-Q363 PolarHBondContact O-N 2.89Å; F360-Q363 WeakPolarHBondContact O-CA 3.4Å; F360-Q363 WeakPolarHBondContact O-CB 3.25Å; F360-Q363 PolarHBondContact O-N 3.45Å; N361-Q363 VanDerWaalsContact C-N 3.26Å; N361-Q363 PolarHBondContact O-N 2.86Å; Q363-T365 PolarHBondContact O-N 3.36Å; Q363-G368 VanDerWaalsContact CA-CA 3.45Å; Q363-G368 WeakPolarHBondContact CG-O 3.19Å
364	S	80	Confident	84.7	Confident	82 Å²	82	59.1 Å²	59.1	57%	0.573	34%	0.341	S	S	*	.	H	α-helix	trans	-73.3	-24.5	-178.5	-56.7	0	0	0	0	114	F360 N361 G366	F360-S364 PolarHBondContact O-N 2.8Å; F360-S364 PolarHBondContact O-OG 3.26Å; N361-S364 PolarHBondContact O-N 3.23Å; S364-G366 VanDerWaalsContact C-N 3.28Å; S364-G366 PolarHBondContact O-N 3.02Å
365	T	72.3	Confident	84.5	Confident	117 Å²	117	69 Å²	69	72%	0.718	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	14.9	-172.7	-45.4	0	0	0	0	113.4	N361 Q363 N367	N361-T365 PolarHBondContact O-N 3.48Å; N361-T365 PolarHBondContact O-OG1 3.13Å; Q363-T365 PolarHBondContact O-N 3.36Å; T365-N367 VanDerWaalsContact C-N 3.34Å; T365-N367 PolarHBondContact O-N 3.37Å
366	G	61.1	Low	84.2	Confident	69 Å²	69	72 Å²	72	71%	0.711	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.3	-16	172.9	0	0	0	0	0	116.4	S364 G368	S364-G366 VanDerWaalsContact C-N 3.28Å; S364-G366 PolarHBondContact O-N 3.02Å; G366-G368 PolarHBondContact O-N 2.89Å
367	N	61.3	Low	84	Confident	127 Å²	127	71.4 Å²	71.4	68%	0.679	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	14.8	167.9	-74.2	-10	0	0	0	113	T365 L369 T370	T365-N367 VanDerWaalsContact C-N 3.34Å; T365-N367 PolarHBondContact O-N 3.37Å; N367-L369 PolarHBondContact O-N 3.43Å; N367-T370 PolarHBondContact O-N 2.96Å; N367-T370 VanDerWaalsContact O-N 3.12Å; N367-T370 PolarHBondContact O-OG1 3.45Å; N367-T370 VanDerWaalsContact O-OG1 3.12Å
368	G	61	Low	83.7	Confident	10 Å²	10	68.2 Å²	68.2	10%	0.103	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-8.7	-151.9	0	0	0	0	0	118.4	C362 Q363 G366	C362-G368 WeakPolarHBondContact O-CA 3.35Å; Q363-G368 VanDerWaalsContact CA-CA 3.45Å; Q363-G368 WeakPolarHBondContact CG-O 3.19Å; G366-G368 PolarHBondContact O-N 2.89Å
369	L	79.7	Confident	83.4	Confident	99 Å²	99	71.1 Å²	71.1	52%	0.518	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	4	-179.8	-60.7	174.5	0	0	0	112.6	N367 V377 I378	N367-L369 PolarHBondContact O-N 3.43Å; L369-V377 CarbonylContact O-C 3.53Å; L369-V377 VanDerWaalsContact O-CA 3.3Å; L369-V377 WeakPolarHBondContact O-CA 3.39Å; L369-I378 PolarHBondContact O-N 3.13Å
370	T	89.7	Confident	83.2	Confident	50 Å²	50	70.8 Å²	70.8	31%	0.307	39%	0.392	S	S	.	.	B	Isolated β-bridge	trans	-119.5	146.7	-179.4	63.4	0	0	0	0	112.2	N367 R375 L376 V377 I378	N367-T370 PolarHBondContact O-N 2.96Å; N367-T370 VanDerWaalsContact O-N 3.12Å; N367-T370 PolarHBondContact O-OG1 3.45Å; N367-T370 VanDerWaalsContact O-OG1 3.12Å; T370-R375 WeakPolarHBondContact CB-O 3.18Å; T370-R375 WeakPolarHBondContact CG2-O 3.41Å; T370-L376 CarbonylContact C-O 3.55Å; T370-L376 WeakPolarHBondContact CA-O 3.4Å; T370-V377 HydrophobicContact CG2-CG2 4.45Å; T370-I378 WeakPolarHBondContact O-CD1 3.21Å
371	C	90.3	Very high	83.2	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	37%	0.369	C	S	.	.			trans	-62	127.2	177.1	174.7	0	0	0	0	110.1	L347 C350 H352 F373 R375 L376 I378	L347-C371 HydrophobicContact CD1-CB 4.16Å; C350-C371 VanDerWaalsContact SG-SG 3.61Å; H352-C371 PolarHBondContact ND1-SG 3.32Å; H352-C371 VanDerWaalsContact ND1-SG 3.42Å; C371-F373 PolarHBondContact O-N 2.99Å; C371-F373 PolarHBondContact SG-N 3.2Å; C371-F373 VanDerWaalsContact SG-N 3.44Å; C371-R375 WeakPolarHBondContact O-CA 3.38Å; C371-R375 PolarHBondContact O-N 2.73Å; C371-L376 WeakPolarHBondContact CB-O 3.39Å; C371-L376 PolarHBondContact N-O 3.02Å; C371-I378 HydrophobicContact CB-CG1 4.34Å
372	P	91.6	Very high	83.1	Confident	53 Å²	53	63.5 Å²	63.5	34%	0.344	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-23.8	178.8	-27.5	36.9	0	0	0	114.2	I337 I354 C362	I337-P372 HydrophobicContact CD1-CB 3.7Å; I337-P372 HydrophobicContact CD1-CG 4Å; I354-P372 HydrophobicContact CD1-CG 3.99Å; C362-P372 HydrophobicContact CB-CG 4.08Å
373	F	91.9	Very high	83.3	Confident	78 Å²	78	66.4 Å²	66.4	34%	0.342	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-50.3	-176.2	-55.4	-75.5	0	0	0	113.4	K336 I337 H352 I354 C371	K336-F373 HydrophobicContact CB-CE1 4.33Å; I337-F373 HydrophobicContact CD1-CE1 4.38Å; I337-F373 HydrophobicContact CD1-CE2 4.3Å; I337-F373 HydrophobicContact CD1-CZ 3.87Å; I337-F373 HydrophobicContact CG1-CE1 4.03Å; I337-F373 HydrophobicContact CG1-CZ 3.81Å; H352-F373 HydrophobicContact CB-CD2 3.56Å; H352-F373 HydrophobicContact CB-CE2 4.15Å; H352-F373 HydrophobicContact CB-CG 4.37Å; H352-F373 VanDerWaalsContact CD2-CB 3.48Å; H352-F373 WeakPolarHBondContact CD2-CB 3.17Å; H352-F373 AromaticContact CD2-CD2 3.86Å; H352-F373 AromaticContact CD2-CG 3.79Å; H352-F373 AromaticContact CG-CD2 3.76Å; I354-F373 HydrophobicContact CB-CE2 4.29Å; C371-F373 PolarHBondContact O-N 2.99Å; C371-F373 PolarHBondContact SG-N 3.2Å; C371-F373 VanDerWaalsContact SG-N 3.44Å
374	C	92	Very high	83.5	Confident	56 Å²	56	64.1 Å²	64.1	38%	0.378	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-1.6	-173.9	66.3	0	0	0	0	114.5	C350 H352 L376	C350-C374 WeakPolarHBondContact CB-SG 3.28Å; H352-C374 VanDerWaalsContact CE1-CB 3.46Å; H352-C374 WeakPolarHBondContact CE1-CB 3.5Å; H352-C374 PolarHBondContact CE1-SG 2.86Å; H352-C374 PolarHBondContact ND1-SG 3.36Å; H352-C374 VanDerWaalsContact ND1-SG 3.45Å; C374-L376 PolarHBondContact O-N 3.35Å; C374-L376 WeakPolarHBondContact SG-CB 3.45Å
375	R	90.5	Very high	84	Confident	208 Å²	208	63.1 Å²	63.1	79%	0.785	35%	0.348	S	S	*	.			trans	59.5	7	-177.1	-52.7	179.8	-178.8	-177.3	-0.9	114.8	T370 C371	T370-R375 WeakPolarHBondContact CB-O 3.18Å; T370-R375 WeakPolarHBondContact CG2-O 3.41Å; C371-R375 WeakPolarHBondContact O-CA 3.38Å; C371-R375 PolarHBondContact O-N 2.73Å
376	L	88.5	Confident	84.7	Confident	64 Å²	64	58.4 Å²	58.4	34%	0.335	32%	0.319	S	S	.	.			trans	-64.9	139.9	172.1	-169.6	62	0	0	0	109.7	P349 C350 T370 C371 C374 I378	P349-L376 HydrophobicContact CG-CD2 3.71Å; P349-L376 HydrophobicContact CG-CG 4.47Å; C350-L376 HydrophobicContact CB-CB 4.35Å; C350-L376 HydrophobicContact CB-CD2 3.87Å; T370-L376 CarbonylContact C-O 3.55Å; T370-L376 WeakPolarHBondContact CA-O 3.4Å; C371-L376 WeakPolarHBondContact CB-O 3.39Å; C371-L376 PolarHBondContact N-O 3.02Å; C374-L376 PolarHBondContact O-N 3.35Å; C374-L376 WeakPolarHBondContact SG-CB 3.45Å; L376-I378 PolarHBondContact O-N 3.49Å
377	V	88.6	Confident	86	Confident	84 Å²	84	57.7 Å²	57.7	51%	0.509	30%	0.299	S	S	.	.	B	Isolated β-bridge	trans	-59.3	126.8	178.3	179.5	0	0	0	0	110.1	L369 T370 K379	L369-V377 CarbonylContact O-C 3.53Å; L369-V377 VanDerWaalsContact O-CA 3.3Å; L369-V377 WeakPolarHBondContact O-CA 3.39Å; T370-V377 HydrophobicContact CG2-CG2 4.45Å; V377-K379 PolarHBondContact O-N 3.11Å
378	I	88	Confident	87.2	Confident	15 Å²	15	55.2 Å²	55.2	8%	0.077	29%	0.29	C	S	.	.			trans	-76.2	112	174.1	-59.9	168.6	0	0	0	107.1	L347 L359 L369 T370 C371 L376 G380 T381	L347-I378 HydrophobicContact CD1-CD1 4.09Å; L347-I378 HydrophobicContact CD1-CG1 4.4Å; L347-I378 HydrophobicContact CD2-CD1 4.1Å; L347-I378 HydrophobicContact CD2-CG2 4.42Å; L359-I378 HydrophobicContact CD1-CD1 4.06Å; L369-I378 PolarHBondContact O-N 3.13Å; T370-I378 WeakPolarHBondContact O-CD1 3.21Å; C371-I378 HydrophobicContact CB-CG1 4.34Å; L376-I378 PolarHBondContact O-N 3.49Å; I378-G380 WeakPolarHBondContact CG2-O 3.35Å; I378-T381 HydrophobicContact CG2-CG2 4.15Å
379	K	86.6	Confident	88.3	Confident	69 Å²	69	57.5 Å²	57.5	30%	0.3	30%	0.296	S	S	.	.			trans	-95.2	-19	175.4	-69.4	-177.2	175.3	-176.4	0	112.4	T133 D193 E348 V377	T133-K379 HydrophobicContact CG2-CB 3.6Å; T133-K379 WeakPolarHBondContact OG1-CD 3.49Å; D193-K379 IonicContact OD2-NZ 3.65Å; E348-K379 PolarHBondContact O-N 3.3Å; V377-K379 PolarHBondContact O-N 3.11Å
380	G	86	Confident	88.6	Confident	5 Å²	5	61.4 Å²	61.4	5%	0.052	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.2	173	-178	0	0	0	0	0	112.3	E348 I378	E348-G380 WeakPolarHBondContact CB-O 3.45Å; E348-G380 PolarHBondContact N-O 2.95Å; I378-G380 WeakPolarHBondContact CG2-O 3.35Å
381	T	89.4	Confident	87.8	Confident	17 Å²	17	62.3 Å²	62.3	10%	0.104	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	156.6	177.6	56.1	0	0	0	0	109.7	N274 T345 R346 L347 L359 I378	N274-T381 HydrophobicContact CB-CG2 4.26Å; N274-T381 PolarHBondContact O-OG1 3.03Å; T345-T381 HydrophobicContact CG2-CG2 4.23Å; R346-T381 CarbonylContact O-C 3.41Å; R346-T381 VanDerWaalsContact O-CA 3.25Å; R346-T381 WeakPolarHBondContact O-CA 3.45Å; L347-T381 HydrophobicContact CD2-CG2 3.89Å; L359-T381 HydrophobicContact CD2-CG2 3.83Å; I378-T381 HydrophobicContact CG2-CG2 4.15Å
382	E	88.2	Confident	87.1	Confident	39 Å²	39	67.8 Å²	67.8	18%	0.182	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	134.1	174.9	-173.4	-170.8	-126.7	0	0	109.8	V313 T345 R346 I384	V313-E382 HydrophobicContact CG2-CG 4.47Å; T345-E382 WeakPolarHBondContact CA-O 3.39Å; R346-E382 IonicContact CZ-OE2 3.66Å; R346-E382 PolarHBondContact N-O 3.25Å; R346-E382 IonicContact NE-OE2 3.72Å; R346-E382 PolarHBondContact NE-OE2 3.44Å; R346-E382 IonicContact NH2-OE1 2.93Å; R346-E382 IonicContact NH2-OE2 3.63Å; R346-E382 PolarHBondContact NH2-OE2 2.81Å; R346-E382 PolarHBondContact O-N 2.75Å; E382-I384 HydrophobicContact CG-CG2 4.45Å
383	D	88.9	Confident	85.4	Confident	97 Å²	97	69.8 Å²	69.8	52%	0.519	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	128.6	174	-75.5	-3.7	0	0	0	109.6	K356	K356-D383 WeakPolarHBondContact CE-OD1 3.28Å; K356-D383 IonicContact NZ-OD1 2.79Å; K356-D383 PolarHBondContact NZ-OD1 3.1Å; K356-D383 IonicContact NZ-OD2 2.99Å; K356-D383 PolarHBondContact NZ-OD2 3.38Å
384	I	88.6	Confident	83.2	Confident	8 Å²	8	74.7 Å²	74.7	4%	0.041	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	153.5	-176	57.8	90.2	0	0	0	110.9	V313 L315 D344 R346 L353 E382 V386	V313-I384 HydrophobicContact CB-CG2 4.12Å; V313-I384 HydrophobicContact CG1-CG2 3.96Å; V313-I384 WeakPolarHBondContact O-CA 3.49Å; L315-I384 HydrophobicContact CD1-CB 4.2Å; L315-I384 HydrophobicContact CD1-CD1 3.96Å; L315-I384 HydrophobicContact CD1-CG1 4.19Å; L315-I384 HydrophobicContact CD1-CG2 4.38Å; L315-I384 HydrophobicContact CG-CB 4.36Å; D344-I384 CarbonylContact C-O 3.51Å; D344-I384 WeakPolarHBondContact CA-O 3.42Å; D344-I384 PolarHBondContact O-N 2.97Å; R346-I384 HydrophobicContact CB-CG1 4.28Å; R346-I384 HydrophobicContact CB-CG2 3.93Å; L353-I384 HydrophobicContact CD2-CD1 4.25Å; L353-I384 HydrophobicContact CD2-CG1 4.3Å; E382-I384 HydrophobicContact CG-CG2 4.45Å; I384-V386 HydrophobicContact CD1-CG2 3.49Å; I384-V386 VanDerWaalsContact CD1-CG2 3.49Å
385	I	89.3	Confident	81.1	Confident	61 Å²	61	76.1 Å²	76.1	31%	0.313	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	128.1	168.9	-62	177.6	0	0	0	107.3	Q312 V313 H314 L315	Q312-I385 HydrophobicContact CB-CD1 4.08Å; Q312-I385 HydrophobicContact CG-CD1 4.28Å; V313-I385 PolarHBondContact O-N 3.08Å; H314-I385 CarbonylContact C-O 3.5Å; H314-I385 WeakPolarHBondContact CA-O 3.34Å; L315-I385 PolarHBondContact N-O 3.35Å
386	V	87.7	Confident	78.7	Confident	17 Å²	17	69.9 Å²	69.9	10%	0.103	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	115.5	176.3	-178.3	0	0	0	0	108.8	L315 V317 F332 E333 K343 I384 P388	L315-V386 WeakPolarHBondContact O-CA 2.99Å; V317-V386 HydrophobicContact CG2-CG1 3.56Å; F332-V386 HydrophobicContact CD1-CG1 3.62Å; F332-V386 HydrophobicContact CE1-CG1 3.82Å; E333-V386 HydrophobicContact CG-CB 4.49Å; E333-V386 HydrophobicContact CG-CG1 4Å; K343-V386 HydrophobicContact CB-CG2 4.19Å; I384-V386 HydrophobicContact CD1-CG2 3.49Å; I384-V386 VanDerWaalsContact CD1-CG2 3.49Å; V386-P388 WeakPolarHBondContact O-CD 3.08Å
387	D	87.2	Confident	76.2	Confident	55 Å²	55	76.6 Å²	76.6	29%	0.294	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	118.7	177.6	-66.8	-36.5	0	0	0	110.1	H314 L315 V317	H314-D387 WeakPolarHBondContact CB-OD2 3.23Å; H314-D387 IonicContact CE1-OD1 3.34Å; H314-D387 IonicContact CG-OD2 2.92Å; H314-D387 IonicContact ND1-OD1 2.56Å; H314-D387 PolarHBondContact ND1-OD1 3.43Å; H314-D387 VanDerWaalsContact ND1-OD1 3.15Å; H314-D387 IonicContact ND1-OD2 2.99Å; H314-D387 PolarHBondContact ND1-OD2 2.93Å; L315-D387 PolarHBondContact O-N 3.33Å; V317-D387 WeakPolarHBondContact CG2-O 3.45Å; V317-D387 PolarHBondContact N-O 3.44Å
388	P	87.1	Confident	73.9	Confident	74 Å²	74	80.8 Å²	80.8	48%	0.481	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-60.4	143.9	-178.5	-23.2	32.2	0	0	0	113.3	E333 V386 K390	E333-P388 HydrophobicContact CG-CG 4.07Å; E333-P388 VanDerWaalsContact OE1-CA 3.23Å; E333-P388 WeakPolarHBondContact OE1-CA 3.23Å; E333-P388 VanDerWaalsContact OE1-CB 3.31Å; E333-P388 WeakPolarHBondContact OE1-CB 3.33Å; V386-P388 WeakPolarHBondContact O-CD 3.08Å; P388-K390 PolarHBondContact O-N 2.97Å
389	Y	85.2	Confident	71.3	Confident	59 Å²	59	84.2 Å²	84.2	23%	0.231	48%	0.477	C	S	.	.	P	Polyproline II helix	trans	-68.5	123.8	171.3	-177.8	-99.7	0	0	0	109.9	V317 K319 Y322 P391	V317-Y389 WeakPolarHBondContact O-CD2 2.93Å; K319-Y389 HydrophobicContact CB-CD2 4.48Å; K319-Y389 HydrophobicContact CB-CE1 4.32Å; K319-Y389 HydrophobicContact CB-CE2 3.82Å; K319-Y389 HydrophobicContact CG-CE1 4.18Å; K319-Y389 HydrophobicContact CG-CE2 4.47Å; Y322-Y389 AromaticContact CD1-CD1 3.73Å; Y322-Y389 HydrophobicContact CD1-CD1 3.73Å; Y322-Y389 HydrophobicContact CD1-CE1 4.32Å; Y322-Y389 HydrophobicContact CD2-CD1 4.15Å; Y322-Y389 HydrophobicContact CE1-CD1 4.32Å; Y322-Y389 AromaticContact CG-CD1 3.64Å; Y322-Y389 HydrophobicContact CG-CD1 3.64Å; Y322-Y389 HydrophobicContact CG-CG 4.13Å; Y389-P391 HydrophobicContact CD1-CB 4.5Å; Y389-P391 HydrophobicContact CE1-CB 3.93Å; Y389-P391 WeakPolarHBondContact O-CD 3.44Å
390	K	84.6	Confident	68.9	Low	181 Å²	181	89.2 Å²	89.2	79%	0.787	50%	0.499	S	S	*	.			trans	-103	102.8	174.7	-66.1	178.9	-177.3	175.4	0	108.6	P388	P388-K390 PolarHBondContact O-N 2.97Å
391	P	74.2	Confident	66.6	Low	69 Å²	69	96.8 Å²	96.8	45%	0.448	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-59.9	145.8	175.5	23.4	-31	0	0	0	110	Y389 S393	Y389-P391 HydrophobicContact CD1-CB 4.5Å; Y389-P391 HydrophobicContact CE1-CB 3.93Å; Y389-P391 WeakPolarHBondContact O-CD 3.44Å; P391-S393 PolarHBondContact O-N 3.05Å
392	P	74.9	Confident	64.2	Low	115 Å²	115	101.8 Å²	101.8	75%	0.747	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-56.1	117.5	173.8	-17.1	28.1	0	0	0	108.6	D394	P392-D394 PolarHBondContact O-N 3.41Å
393	S	55.7	Low	61.7	Low	95 Å²	95	105.3 Å²	105.3	66%	0.664	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-62.9	126.9	173.1	50.8	0	0	0	0	108.6	P391 S395	P391-S393 PolarHBondContact O-N 3.05Å; S393-S395 PolarHBondContact O-N 3.47Å; S393-S395 PolarHBondContact OG-OG 3.12Å
394	D	46.7	Very low	59.1	Low	180 Å²	180	109.7 Å²	109.7	96%	0.963	61%	0.612	S	S	*	*	S	Bend	trans	-71.7	70.3	177.1	-142.7	4.8	0	0	0	109.5	P392	P392-D394 PolarHBondContact O-N 3.41Å
395	S	46.2	Very low	56.5	Low	87 Å²	87	113.9 Å²	113.9	61%	0.608	64%	0.64	S	S	*	*			trans	-148.8	91.1	-179.8	55.8	0	0	0	0	110.2	S393	S393-S395 PolarHBondContact O-N 3.47Å; S393-S395 PolarHBondContact OG-OG 3.12Å
396	G	40.3	Very low	53.8	Low	76 Å²	76	118.9 Å²	118.9	78%	0.784	67%	0.665	S	S	*	*			trans	77.3	98.7	140	0	0	0	0	0	118.3	L398	G396-L398 PolarHBondContact O-N 3.14Å
397	K	37.7	Very low	51.1	Low	205 Å²	205	123.5 Å²	123.5	89%	0.891	69%	0.694	S	S	*	*			trans	3	107.7	145.8	-66.5	176	177.2	177.9	0	116.3
398	L	39	Very low	48.4	Very low	172 Å²	172	126.9 Å²	126.9	90%	0.901	71%	0.71	S	S	*	*			trans	-166.6	129.6	133.8	-102.2	134.3	0	0	0	110.4	G396	G396-L398 PolarHBondContact O-N 3.14Å
399	S	33	Very low	45.6	Very low	87 Å²	87	126.6 Å²	126.6	61%	0.608	71%	0.709	S	S	*	*			trans	-54.4	140.5	178.5	46.2	0	0	0	0	114.7
400	F	36	Very low	43.3	Very low	175 Å²	175	130.2 Å²	130.2	77%	0.768	73%	0.728	S	S	*	*				168.8	128.2	111.1	-100.7	-87.5	0	0	0	112.2
401	H	39	Very low	40.6	Very low	164 Å²	164	129.5 Å²	129.5	76%	0.759	73%	0.728	S	S	*	*			trans	39.1	119.1	167.2	-67.8	-59.4	0	0	0	122.3
402	P	37.7	Very low	38.5	Very low	121 Å²	121	129.3 Å²	129.3	79%	0.786	73%	0.725	S	S	*	*			trans	-84	118.5	160.3	32.1	-25	0	0	0	110.1
403	S	36.5	Very low	36.3	Very low	114 Å²	114	128.4 Å²	128.4	80%	0.797	73%	0.727	S	S	*	*			trans	-80.9	114.9	154.8	42.6	0	0	0	0	107.9	P405	S403-P405 WeakPolarHBondContact O-CD 3.34Å
404	E	33.7	Very low	35.2	Very low	189 Å²	189	129 Å²	129	88%	0.883	73%	0.732	S	S	*	*			trans	-55.3	123.2	-179.9	-68.1	180	150.6	0	0	112
405	P	34.3	Very low	34.5	Very low	96 Å²	96	128.1 Å²	128.1	62%	0.623	73%	0.726	S	S	*	*			trans	-83.9	138.9	157.1	31.5	-24.7	0	0	0	108.9	S403 V407	S403-P405 WeakPolarHBondContact O-CD 3.34Å; P405-V407 PolarHBondContact O-N 3.08Å
406	I	32.5	Very low	33.9	Very low	165 Å²	165	132.4 Å²	132.4	85%	0.846	74%	0.736	S	S	*	*			trans	-46.8	105.4	177.8	-64.7	163.7	0	0	0	109.9	I408	I406-I408 PolarHBondContact O-N 2.95Å
407	V	30.6	Very low	33.5	Very low	115 Å²	115	137 Å²	137	70%	0.697	74%	0.737	S	S	*	*			trans	-71	113.4	170.1	-179.7	0	0	0	0	106.4	P405 C409	P405-V407 PolarHBondContact O-N 3.08Å; V407-C409 HydrophobicContact CG1-CB 4.04Å; V407-C409 PolarHBondContact O-N 3.13Å
408	I	32.4	Very low	33.5	Very low	125 Å²	125	134.7 Å²	134.7	64%	0.641	73%	0.733	S	S	*	*			trans	-69.5	85	158.7	-59	177.8	0	0	0	105.3	I406 H410	I406-I408 PolarHBondContact O-N 2.95Å; I408-H410 PolarHBondContact O-N 3.24Å
409	C	27.6	Very low	33.3	Very low	69 Å²	69	130.4 Å²	130.4	47%	0.466	72%	0.723	S	S	.	*			trans	-73.1	111	177.4	-159.6	0	0	0	0	107.2	V407 Q411	V407-C409 HydrophobicContact CG1-CB 4.04Å; V407-C409 PolarHBondContact O-N 3.13Å; C409-Q411 HydrophobicContact CB-CB 4.31Å; C409-Q411 PolarHBondContact O-N 3Å; C409-Q411 VanDerWaalsContact SG-CB 3.54Å; C409-Q411 VanDerWaalsContact SG-CD 3.54Å; C409-Q411 WeakPolarHBondContact SG-CG 3.18Å; C409-Q411 PolarHBondContact SG-NE2 2.86Å
410	H	35.6	Very low	33.5	Very low	134 Å²	134	133.7 Å²	133.7	62%	0.62	73%	0.733	S	S	*	*			trans	-70.4	69.3	154.7	-69.8	-78.3	0	0	0	107.6	I408	I408-H410 PolarHBondContact O-N 3.24Å
411	Q	28.3	Very low	33.6	Very low	167 Å²	167	134.8 Å²	134.8	78%	0.78	74%	0.738	S	S	*	*			trans	-90.9	111.5	172.2	-117	171.5	46.5	0	0	108.1	C409	C409-Q411 HydrophobicContact CB-CB 4.31Å; C409-Q411 PolarHBondContact O-N 3Å; C409-Q411 VanDerWaalsContact SG-CB 3.54Å; C409-Q411 VanDerWaalsContact SG-CD 3.54Å; C409-Q411 WeakPolarHBondContact SG-CG 3.18Å; C409-Q411 PolarHBondContact SG-NE2 2.86Å
412	T	30.6	Very low	33.3	Very low	64 Å²	64	133 Å²	133	39%	0.393	74%	0.74	S	S	.	*			trans	-99.2	101	-176.7	52.1	0	0	0	0	105.1	S414 Y457	T412-S414 VanDerWaalsContact C-N 3.3Å; T412-S414 PolarHBondContact O-N 3.46Å; T412-Y457 WeakPolarHBondContact CB-OH 3.47Å; T412-Y457 HydrophobicContact CG2-CD1 3.38Å; T412-Y457 HydrophobicContact CG2-CD2 3.73Å; T412-Y457 HydrophobicContact CG2-CE1 3.03Å; T412-Y457 HydrophobicContact CG2-CE2 3.39Å; T412-Y457 HydrophobicContact CG2-CG 3.71Å; T412-Y457 WeakPolarHBondContact CG2-OH 3.46Å; T412-Y457 PolarHBondContact OG1-OH 3.05Å
413	A	29.1	Very low	33.4	Very low	96 Å²	96	132.4 Å²	132.4	79%	0.793	74%	0.739	S	S	*	*			trans	-64	95.5	172.2	0	0	0	0	0	108.1	L415	A413-L415 PolarHBondContact O-N 3.11Å; A413-L415 VanDerWaalsContact O-N 3.16Å
414	S	31.6	Very low	33.3	Very low	108 Å²	108	135.2 Å²	135.2	76%	0.755	74%	0.74	S	S	*	*			trans	-71.2	96.9	160.3	57.1	0	0	0	0	107.6	T412 H416	T412-S414 VanDerWaalsContact C-N 3.3Å; T412-S414 PolarHBondContact O-N 3.46Å; S414-H416 PolarHBondContact O-N 3.13Å
415	L	31.7	Very low	33.4	Very low	162 Å²	162	133.6 Å²	133.6	85%	0.848	74%	0.737	S	S	*	*			trans	-75.3	102.6	159.4	-79.7	163.9	0	0	0	107.4	A413	A413-L415 PolarHBondContact O-N 3.11Å; A413-L415 VanDerWaalsContact O-N 3.16Å
416	H	34.5	Very low	33.4	Very low	176 Å²	176	132.9 Å²	132.9	82%	0.815	74%	0.739	S	S	*	*			trans	-111.3	98.5	157.8	-112.6	-96.2	0	0	0	106.9	S414	S414-H416 PolarHBondContact O-N 3.13Å
417	E	32.1	Very low	33.4	Very low	173 Å²	173	129.9 Å²	129.9	81%	0.808	73%	0.732	S	S	*	*			trans	-72.3	132.2	150.4	-79.8	-178.3	143.9	0	0	107.5
418	I	37.1	Very low	33.5	Very low	156 Å²	156	129.9 Å²	129.9	80%	0.8	74%	0.737	S	S	*	*			trans	-174.4	111.9	132.8	-85.2	148.1	0	0	0	107.4
419	A	36.1	Very low	33.5	Very low	83 Å²	83	128.8 Å²	128.8	69%	0.686	74%	0.741	S	S	*	*			trans	43.2	116.9	140.4	0	0	0	0	0	121.8
420	D	36.7	Very low	33.9	Very low	155 Å²	155	132.6 Å²	132.6	83%	0.829	76%	0.761	S	S	*	*				65.9	121.4	126.4	-82.5	-21.8	0	0	0	123.7
421	K	37.5	Very low	33.7	Very low	198 Å²	198	132 Å²	132	86%	0.861	77%	0.772	S	S	*	*			trans	93.1	125.3	148.2	-73.7	-177.3	176.9	178.2	0	120.1
422	P	34	Very low	34.1	Very low	126 Å²	126	128.2 Å²	128.2	82%	0.818	77%	0.77	S	S	*	*			trans	-104.1	147.8	179	38.6	-29.8	0	0	0	113.2
423	S	39.3	Very low	34.3	Very low	109 Å²	109	132.6 Å²	132.6	76%	0.762	79%	0.79	S	S	*	*			trans	-167.2	118.2	151.2	57.7	0	0	0	0	112.2
424	E	33.1	Very low	34.2	Very low	173 Å²	173	132.5 Å²	132.5	81%	0.808	78%	0.782	S	S	*	*			trans	69.4	114.3	133.8	-62.2	-163.9	152.8	0	0	123.5
425	L	36	Very low	34.3	Very low	156 Å²	156	135.1 Å²	135.1	82%	0.817	79%	0.788	S	S	*	*				73.9	133	125.4	-84.7	97.7	0	0	0	123.2
426	A	34.4	Very low	34.3	Very low	81 Å²	81	138.8 Å²	138.8	67%	0.669	79%	0.791	S	S	*	*			trans	95.5	95.6	137.7	0	0	0	0	0	120.4
427	S	32	Very low	34.3	Very low	102 Å²	102	140.7 Å²	140.7	71%	0.713	80%	0.797	S	S	*	*				24.7	125.8	119.6	58.2	0	0	0	0	120
428	S	32.8	Very low	34.2	Very low	114 Å²	114	137.3 Å²	137.3	80%	0.797	79%	0.792	S	S	*	*				172.8	138.6	102.5	-76.6	0	0	0	0	113.6
429	S	33	Very low	34.2	Very low	102 Å²	102	137.2 Å²	137.2	71%	0.713	79%	0.792	S	S	*	*			trans	-47.3	154.2	165	49.3	0	0	0	0	116.3
430	V	36.7	Very low	34.2	Very low	149 Å²	149	139.3 Å²	139.3	90%	0.903	80%	0.797	S	S	*	*				-168	137.3	120.3	-89	0	0	0	0	112.1
431	S	31	Very low	34.2	Very low	121 Å²	121	137.3 Å²	137.3	85%	0.846	79%	0.792	S	S	*	*			trans	-89.2	147.9	176.2	-24.1	0	0	0	0	110.7
432	A	37	Very low	34.2	Very low	88 Å²	88	135.3 Å²	135.3	73%	0.727	79%	0.791	S	S	*	*			trans	-170.9	123.7	151.7	0	0	0	0	0	115.6
433	L	34	Very low	34.1	Very low	156 Å²	156	134.3 Å²	134.3	82%	0.817	79%	0.787	S	S	*	*				86.7	96.5	128.8	-63.4	158.5	0	0	0	121.2
434	C	27.4	Very low	34.1	Very low	94 Å²	94	136.9 Å²	136.9	64%	0.635	79%	0.791	S	S	*	*			trans	-1.3	140.2	131.9	54	0	0	0	0	121.1
435	N	34	Very low	34.2	Very low	164 Å²	164	134.2 Å²	134.2	88%	0.877	79%	0.792	S	S	*	*				-170.3	143	109.6	-106.5	-25.3	0	0	0	115
436	R	30.9	Very low	34.2	Very low	239 Å²	239	133.6 Å²	133.6	90%	0.902	79%	0.794	S	S	*	*			trans	-70.5	153.3	177.6	-67.6	176.7	-179.6	-159	-1.5	112.9
437	K	36.1	Very low	34.5	Very low	216 Å²	216	131.9 Å²	131.9	94%	0.939	78%	0.784	S	S	*	*			trans	-163.2	127.1	131.7	-105.1	168.5	-173.4	-176.1	0	111.4
438	S	30.1	Very low	34.7	Very low	101 Å²	101	133 Å²	133	71%	0.706	79%	0.789	S	S	*	*			trans	-75.8	148.7	171.4	50	0	0	0	0	112.2
439	L	36.5	Very low	34.6	Very low	155 Å²	155	132 Å²	132	81%	0.812	78%	0.78	S	S	*	*			trans	174.8	115.1	132.8	-93.2	143.1	0	0	0	112.3
440	T	36.5	Very low	34.7	Very low	127 Å²	127	132.1 Å²	132.1	78%	0.779	78%	0.778	S	S	*	*			trans	61.5	141.8	142.5	53.2	0	0	0	0	123.4
441	P	35.8	Very low	34.5	Very low	113 Å²	113	132.5 Å²	132.5	73%	0.734	77%	0.774	S	S	*	*			trans	-98.7	139.1	-167.8	37.4	-26.6	0	0	0	112
442	D	37.3	Very low	34.6	Very low	155 Å²	155	129 Å²	129	83%	0.829	75%	0.748	S	S	*	*			trans	-157.6	125.4	158.5	-101.6	-27.7	0	0	0	111.7
443	S	32.3	Very low	34.4	Very low	106 Å²	106	129.6 Å²	129.6	74%	0.741	74%	0.744	S	S	*	*			trans	47.2	89	147.6	62.2	0	0	0	0	118.9
444	L	39.6	Very low	34.4	Very low	163 Å²	163	131.1 Å²	131.1	85%	0.853	74%	0.739	S	S	*	*			trans	-141.6	109.5	156.2	-73.2	174.4	0	0	0	111.1	V446	L444-V446 PolarHBondContact O-N 3.37Å
445	S	35.7	Very low	34.6	Very low	116 Å²	116	132 Å²	132	81%	0.811	74%	0.738	S	S	*	*			trans	10	100.1	145.8	164	0	0	0	0	115.6	G447	S445-G447 PolarHBondContact O-N 3.3Å
446	V	34.4	Very low	34.5	Very low	144 Å²	144	129.9 Å²	129.9	87%	0.873	72%	0.721	S	S	*	*			trans	-69.1	98.8	170.4	-178.3	0	0	0	0	108.3	L444	L444-V446 PolarHBondContact O-N 3.37Å
447	G	41.9	Very low	34.5	Very low	45 Å²	45	125.6 Å²	125.6	46%	0.464	71%	0.706	S	S	.	*	P	Polyproline II helix	trans	-65.7	156.8	161.4	0	0	0	0	0	110.2	S445	S445-G447 PolarHBondContact O-N 3.3Å
448	P	35.3	Very low	34.3	Very low	125 Å²	125	120.4 Å²	120.4	81%	0.812	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-58.6	141.2	178.5	24.3	-32.3	0	0	0	110.4
449	P	32	Very low	34.4	Very low	94 Å²	94	118.5 Å²	118.5	61%	0.61	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-60.4	146.7	179.2	24.6	-32.7	0	0	0	110.7
450	P	35	Very low	34	Very low	103 Å²	103	115.3 Å²	115.3	67%	0.669	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-61.2	140.9	177.9	24.6	-31.8	0	0	0	111.2
451	I	32.6	Very low	33.6	Very low	158 Å²	158	115 Å²	115	81%	0.81	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-65.6	132.5	-179.3	-57.7	168.5	0	0	0	109
452	P	33.1	Very low	33.5	Very low	48 Å²	48	116.9 Å²	116.9	31%	0.312	66%	0.663	S	S	.	*	P	Polyproline II helix	trans	-56	148.1	175.9	-21.3	30.1	0	0	0	111.8	L324 M328 R454	L324-P452 HydrophobicContact CD2-CB 4.17Å; M328-P452 HydrophobicContact CE-CG 4.41Å; P452-R454 PolarHBondContact O-N 3.37Å
453	P	33.1	Very low	33	Very low	100 Å²	100	116.4 Å²	116.4	65%	0.649	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-53.7	130.7	179.3	-20.5	29.6	0	0	0	111.1	L324 N455	L324-P453 VanDerWaalsContact CD2-CD 3.48Å; L324-P453 HydrophobicContact CD2-CG 4.36Å; P453-N455 PolarHBondContact O-N 2.83Å
454	R	33.1	Very low	33	Very low	187 Å²	187	118.1 Å²	118.1	71%	0.706	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-58.4	135.4	171	-78.4	179	-176.2	155.9	2.2	108.6	P452 F456	P452-R454 PolarHBondContact O-N 3.37Å; R454-F456 HydrophobicContact CB-CD2 4Å; R454-F456 HydrophobicContact CB-CE1 4.33Å; R454-F456 HydrophobicContact CB-CE2 3.79Å; R454-F456 HydrophobicContact CB-CG 4.36Å; R454-F456 HydrophobicContact CB-CZ 3.96Å; R454-F456 WeakPolarHBondContact O-CD2 3.41Å; R454-F456 PolarHBondContact O-N 3.01Å
455	N	32.4	Very low	32.4	Very low	114 Å²	114	117 Å²	117	61%	0.61	66%	0.661	S	S	*	*			trans	-65.5	89.5	162.5	-108.4	-4.3	0	0	0	107.8	P453 Y457	P453-N455 PolarHBondContact O-N 2.83Å; N455-Y457 PolarHBondContact O-N 3.01Å; N455-Y457 VanDerWaalsContact O-N 3.11Å
456	F	31.1	Very low	32.2	Very low	118 Å²	118	117.8 Å²	117.8	52%	0.518	66%	0.661	S	S	.	*	G	3₁₀ helix	trans	-68.7	-4.5	-172.7	-82.5	-78.7	0	0	0	114.4	R454 L458 T459	R454-F456 HydrophobicContact CB-CD2 4Å; R454-F456 HydrophobicContact CB-CE1 4.33Å; R454-F456 HydrophobicContact CB-CE2 3.79Å; R454-F456 HydrophobicContact CB-CG 4.36Å; R454-F456 HydrophobicContact CB-CZ 3.96Å; R454-F456 WeakPolarHBondContact O-CD2 3.41Å; R454-F456 PolarHBondContact O-N 3.01Å; F456-L458 PolarHBondContact O-N 3.37Å; F456-T459 PolarHBondContact O-N 2.92Å
457	Y	31	Very low	32	Very low	150 Å²	150	118.5 Å²	118.5	59%	0.588	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-83.4	8.2	179.4	-62.7	-62.2	0	0	0	115.1	T412 N455	T412-Y457 WeakPolarHBondContact CB-OH 3.47Å; T412-Y457 HydrophobicContact CG2-CD1 3.38Å; T412-Y457 HydrophobicContact CG2-CD2 3.73Å; T412-Y457 HydrophobicContact CG2-CE1 3.03Å; T412-Y457 HydrophobicContact CG2-CE2 3.39Å; T412-Y457 HydrophobicContact CG2-CG 3.71Å; T412-Y457 WeakPolarHBondContact CG2-OH 3.46Å; T412-Y457 PolarHBondContact OG1-OH 3.05Å; N455-Y457 PolarHBondContact O-N 3.01Å; N455-Y457 VanDerWaalsContact O-N 3.11Å
458	L	32.8	Very low	31.2	Very low	106 Å²	106	126.9 Å²	126.9	56%	0.555	68%	0.679	S	S	*	*	G	3₁₀ helix	trans	-131	26.3	171.1	-77.5	165.2	0	0	0	111.5	R131 F456	R131-L458 PolarHBondContact NH1-O 2.93Å; R131-L458 PolarHBondContact NH2-O 2.89Å; F456-L458 PolarHBondContact O-N 3.37Å
459	T	30.8	Very low	30.9	Very low	62 Å²	62	127.7 Å²	127.7	38%	0.38	68%	0.677	S	S	.	*	S	Bend	trans	-148.9	119.5	171.4	41.5	0	0	0	0	110.3	F456 T461	F456-T459 PolarHBondContact O-N 2.92Å; T459-T461 PolarHBondContact O-N 2.79Å
460	S	28.1	Very low	30.8	Very low	88 Å²	88	129.6 Å²	129.6	62%	0.615	68%	0.682	S	S	*	*			trans	-51.2	124.8	167	28.6	0	0	0	0	110.6	I462	S460-I462 PolarHBondContact O-N 2.99Å
461	T	28.8	Very low	30.5	Very low	120 Å²	120	133 Å²	133	74%	0.736	69%	0.689	S	S	*	*			trans	-63.7	115.8	167.7	34.1	0	0	0	0	109.7	T459	T459-T461 PolarHBondContact O-N 2.79Å
462	I	33.1	Very low	30.2	Very low	153 Å²	153	133.5 Å²	133.5	79%	0.785	69%	0.692	S	S	*	*			trans	-108.1	98.6	155.9	-61.6	176.1	0	0	0	105.8	S460	S460-I462 PolarHBondContact O-N 2.99Å
463	D	26.3	Very low	30	Very low	145 Å²	145	140.6 Å²	140.6	78%	0.775	72%	0.721	S	S	*	*			trans	-67.7	129.4	152.9	-83.3	-38.9	0	0	0	107.5
464	N	32.4	Very low	29.6	Very low	142 Å²	142	140.4 Å²	140.4	76%	0.759	73%	0.728	S	S	*	*			trans	-169.2	103.3	143.9	-92.8	-26.5	0	0	0	110.5	V466	N464-V466 PolarHBondContact O-N 2.87Å
465	T	27.3	Very low	29.5	Very low	139 Å²	139	137.2 Å²	137.2	85%	0.853	73%	0.734	S	S	*	*			trans	-53.8	109.3	151.9	37.9	0	0	0	0	110.7
466	V	32.1	Very low	29.2	Very low	132 Å²	132	137 Å²	137	80%	0.8	74%	0.741	S	S	*	*			trans	-143.3	128.4	154	-174.1	0	0	0	0	109.9	N464	N464-V466 PolarHBondContact O-N 2.87Å
467	N	29.1	Very low	29.2	Very low	160 Å²	160	140.7 Å²	140.7	86%	0.856	76%	0.759	S	S	*	*			trans	-50.2	136.4	-176.4	-84.9	-35.4	0	0	0	115.5
468	Y	25.1	Very low	29.3	Very low	220 Å²	220	139.8 Å²	139.8	86%	0.863	77%	0.769	S	S	*	*			trans	-62.9	133.2	154.5	-91.5	-97.4	0	0	0	110.5
469	N	29.9	Very low	29.3	Very low	143 Å²	143	140.2 Å²	140.2	77%	0.765	78%	0.778	S	S	*	*			trans	-170.8	131.4	134.6	-90.8	-23.7	0	0	0	111.5
470	N	29	Very low	29.2	Very low	133 Å²	133	143.5 Å²	143.5	71%	0.711	80%	0.799	S	S	*	*			trans	73.1	137.2	154	-58.8	-7.8	0	0	0	117.2
471	E	28.9	Very low	29.3	Very low	175 Å²	175	144.5 Å²	144.5	82%	0.818	81%	0.806	S	S	*	*			cis	-164.6	146.3	7.7	-116.8	164.7	169.9	0	0	107.7
472	L	26	Very low	29.4	Very low	169 Å²	169	145.2 Å²	145.2	89%	0.885	81%	0.81	S	S	*	*			trans	-65.2	134.1	170.9	-78.6	135.9	0	0	0	110.8
473	Q	29.8	Very low	29.1	Very low	197 Å²	197	145.4 Å²	145.4	92%	0.921	81%	0.813	S	S	*	*			trans	-159.6	121.2	139.1	-112	170.8	22.5	0	0	112.3
474	A	25.7	Very low	29.2	Very low	96 Å²	96	144.4 Å²	144.4	79%	0.793	82%	0.816	S	S	*	*			trans	-77.7	147.2	172.7	0	0	0	0	0	111.4
475	S	30.2	Very low	28.8	Very low	119 Å²	119	141 Å²	141	83%	0.832	82%	0.815	S	S	*	*			trans	-167.2	128	134.6	46.9	0	0	0	0	111.5
476	C	25.5	Very low	28.9	Very low	111 Å²	111	143.8 Å²	143.8	75%	0.75	82%	0.815	S	S	*	*			trans	-65.2	158.8	173.6	-55.4	0	0	0	0	112.1
477	H	32.1	Very low	28.6	Very low	194 Å²	194	147 Å²	147	90%	0.898	82%	0.821	S	S	*	*				-168.4	111.1	129.6	-79.5	-49.4	0	0	0	110.7
478	T	31.7	Very low	28.7	Very low	131 Å²	131	147 Å²	147	80%	0.804	82%	0.819	S	S	*	*			trans	-83.1	163.3	155.3	42.9	0	0	0	0	110.1
479	P	32.9	Very low	28.8	Very low	115 Å²	115	142 Å²	142	75%	0.747	82%	0.817	S	S	*	*				-151.4	133.4	105.9	34.5	-14.3	0	0	0	117.6
480	T	29.2	Very low	28.8	Very low	132 Å²	132	141.2 Å²	141.2	81%	0.81	82%	0.818	S	S	*	*			trans	55.1	145.1	134.6	37.9	0	0	0	0	126.4
481	S	30	Very low	28.8	Very low	109 Å²	109	140.3 Å²	140.3	76%	0.762	82%	0.82	S	S	*	*			trans	94.8	126.5	159.9	73.6	0	0	0	0	115.6
482	T	32	Very low	29	Very low	135 Å²	135	137.6 Å²	137.6	83%	0.828	82%	0.818	S	S	*	*			cis	-163.8	141.7	24.2	-10.4	0	0	0	0	111.8
483	N	26.3	Very low	29.2	Very low	156 Å²	156	137.2 Å²	137.2	83%	0.834	82%	0.817	S	S	*	*			trans	-2.4	125	159.2	-88.3	-12.2	0	0	0	121.2
484	C	27.4	Very low	29.4	Very low	125 Å²	125	137.5 Å²	137.5	85%	0.845	82%	0.815	S	S	*	*				-159.6	112.6	124.3	-132.8	0	0	0	0	110.2
485	G	24.7	Very low	29.7	Very low	71 Å²	71	140.5 Å²	140.5	73%	0.732	82%	0.818	S	S	*	*			trans	-82	138.7	180	0	0	0	0	0	112.5
486	F	29.3	Very low	29.6	Very low	197 Å²	197	143.5 Å²	143.5	86%	0.864	82%	0.819	S	S	*	*			trans	-130.4	111.1	161.5	-94.5	-83.5	0	0	0	108.8	I488	F486-I488 PolarHBondContact O-N 2.92Å
487	E	25.5	Very low	29.7	Very low	198 Å²	198	145.2 Å²	145.2	93%	0.925	82%	0.821	S	S	*	*			trans	-66.2	121	173.6	-70.4	175.5	157.9	0	0	110.1
488	I	30.7	Very low	29.7	Very low	160 Å²	160	144.4 Å²	144.4	82%	0.821	82%	0.821	S	S	*	*			trans	-85.7	113.5	161.8	-65.1	172.3	0	0	0	105.6	F486 T490	F486-I488 PolarHBondContact O-N 2.92Å; I488-T490 PolarHBondContact O-N 2.89Å; I488-T490 VanDerWaalsContact O-N 3.12Å
489	S	28.1	Very low	29.7	Very low	116 Å²	116	146.8 Å²	146.8	81%	0.811	82%	0.823	S	S	*	*			trans	-64.2	111.6	177.4	-160.8	0	0	0	0	109.6
490	T	29.2	Very low	29.3	Very low	127 Å²	127	150.8 Å²	150.8	78%	0.779	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-67.2	145.1	163	29.4	0	0	0	0	110.2	I488	I488-T490 PolarHBondContact O-N 2.89Å; I488-T490 VanDerWaalsContact O-N 3.12Å
491	C	30.4	Very low	29.4	Very low	114 Å²	114	151.1 Å²	151.1	77%	0.77	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-62	152.2	172.9	-65.7	0	0	0	0	110.9
492	P	32.7	Very low	29.3	Very low	117 Å²	117	153.1 Å²	153.1	76%	0.76	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-75	128.4	175.3	2.8	13.9	0	0	0	110.3
493	D	30.1	Very low	29.5	Very low	161 Å²	161	151.1 Å²	151.1	86%	0.861	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-59	131.6	164.8	-68.1	-51.1	0	0	0	110.1
494	F	34.3	Very low	29.8	Very low	204 Å²	204	150.6 Å²	150.6	90%	0.895	82%	0.82	S	S	*	*			trans	-89.3	112.6	163	-84.8	-83.2	0	0	0	108.2	E496	F494-E496 PolarHBondContact O-N 2.88Å
495	D	31.6	Very low	30	Very low	158 Å²	158	149.7 Å²	149.7	85%	0.845	82%	0.815	S	S	*	*			trans	-57.1	123.2	172.5	-91.8	-41.4	0	0	0	111.5
496	E	27.9	Very low	30.3	Very low	183 Å²	183	151.4 Å²	151.4	86%	0.855	82%	0.816	S	S	*	*			trans	-64.4	123.1	159.3	-72.4	-176.7	143.7	0	0	109.6	F494	F494-E496 PolarHBondContact O-N 2.88Å
497	N	28.2	Very low	30.2	Very low	147 Å²	147	148 Å²	148	79%	0.786	81%	0.811	S	S	*	*			trans	-169.5	100.6	148.8	-93.3	-44.9	0	0	0	108.8
498	I	32.2	Very low	30.6	Very low	176 Å²	176	147.8 Å²	147.8	90%	0.903	81%	0.807	S	S	*	*			trans	-154.7	124.8	139.2	-89.3	137.5	0	0	0	107.7
499	Q	30.2	Very low	30.5	Very low	182 Å²	182	146.8 Å²	146.8	85%	0.85	80%	0.803	S	S	*	*			trans	-67.4	141.1	-170.4	-71.3	162.5	-56.7	0	0	114
500	F	25.4	Very low	30.6	Very low	199 Å²	199	148.2 Å²	148.2	87%	0.873	80%	0.802	S	S	*	*			trans	-62.4	130.1	158.9	-87.6	-94	0	0	0	111.6
501	T	31.7	Very low	30.6	Very low	139 Å²	139	147.7 Å²	147.7	85%	0.853	80%	0.799	S	S	*	*			trans	-143	118.9	142.1	44.4	0	0	0	0	109.6
502	N	27.4	Very low	30.6	Very low	150 Å²	150	149.4 Å²	149.4	80%	0.802	80%	0.799	S	S	*	*			trans	-100	176.9	160.2	-118.5	-6.8	0	0	0	106.7
503	P	36.4	Very low	30.4	Very low	94 Å²	94	148 Å²	148	61%	0.61	79%	0.792	S	S	*	*			cis	-138.3	-172.9	-6	30.4	-6	0	0	0	113.5
504	D	33	Very low	30.4	Very low	144 Å²	144	146.9 Å²	146.9	77%	0.77	79%	0.786	S	S	*	*			trans	132.8	112.1	137.2	-76.9	-21.8	0	0	0	118.3
505	S	30	Very low	30.1	Very low	107 Å²	107	141.3 Å²	141.3	75%	0.748	77%	0.772	S	S	*	*			trans	78.1	125.4	130.3	76.6	0	0	0	0	122
506	S	31.8	Very low	30	Very low	107 Å²	107	140.4 Å²	140.4	75%	0.748	77%	0.767	S	S	*	*			trans	125.1	95.1	130.4	72.8	0	0	0	0	118.8
507	V	28.4	Very low	30.1	Very low	126 Å²	126	139.9 Å²	139.9	76%	0.764	76%	0.764	S	S	*	*				40.4	123	125.9	-164	0	0	0	0	120.5
508	K	33.3	Very low	30	Very low	192 Å²	192	140 Å²	140	84%	0.835	77%	0.765	S	S	*	*				164.2	104.2	123.3	-87.2	173.1	-172.8	179.7	0	109.4
509	N	28.3	Very low	29.8	Very low	139 Å²	139	143.4 Å²	143.4	74%	0.743	77%	0.766	S	S	*	*				53.1	112.5	96.1	-78.7	6.1	0	0	0	115.4
510	D	31.1	Very low	29.4	Very low	147 Å²	147	140.3 Å²	140.3	79%	0.786	76%	0.764	S	S	*	*				-179.4	113.9	112.6	-82.9	-29	0	0	0	109.8
511	T	27.8	Very low	29.5	Very low	116 Å²	116	138.9 Å²	138.9	71%	0.712	76%	0.764	S	S	*	*				80.8	137.5	76.1	-35.1	0	0	0	0	115.2
512	L	31.2	Very low	29	Very low	149 Å²	149	138.1 Å²	138.1	78%	0.78	76%	0.763	S	S	*	*			trans	99.5	101.8	170.4	-70.5	107.8	0	0	0	116.4
513	S	27.9	Very low	29.1	Very low	87 Å²	87	136.4 Å²	136.4	61%	0.608	76%	0.763	S	S	*	*				67.3	128.9	75.3	75.9	0	0	0	0	111.5
514	D	30.2	Very low	28.7	Very low	138 Å²	138	141.7 Å²	141.7	74%	0.738	78%	0.78	S	S	*	*			cis	-176.4	155.3	49.1	-119.7	-31.3	0	0	0	111.7
515	C	29	Very low	28.5	Very low	88 Å²	88	138 Å²	138	60%	0.595	78%	0.775	S	S	*	*			trans	68.1	114.7	140.3	-67.3	0	0	0	0	120.7
516	N	28.5	Very low	28.4	Very low	139 Å²	139	140.5 Å²	140.5	74%	0.743	78%	0.78	S	S	*	*				76.4	139.1	95.2	-70.1	-6.6	0	0	0	112
517	E	30.3	Very low	28.2	Very low	172 Å²	172	143.7 Å²	143.7	80%	0.804	79%	0.789	S	S	*	*			cis	-171.7	162.3	28.3	-131.8	167.9	-155.4	0	0	108.8
518	D	26.3	Very low	28.2	Very low	149 Å²	149	140.6 Å²	140.6	80%	0.797	77%	0.773	S	S	*	*			trans	-51.7	151.9	179.4	-61	-66.7	0	0	0	117
519	R	28.5	Very low	28	Very low	247 Å²	247	138.5 Å²	138.5	93%	0.932	77%	0.77	S	S	*	*				-173.9	117	119.6	-101.6	166.3	-170.2	-151.9	3.3	113.1
520	C	21.5	Very low	28.1	Very low	118 Å²	118	140 Å²	140	80%	0.797	78%	0.777	S	S	*	*			trans	-78	132.4	167.9	-157.4	0	0	0	0	110.1
521	L	26.6	Very low	28	Very low	169 Å²	169	137.9 Å²	137.9	89%	0.885	77%	0.765	S	S	*	*			trans	-143.8	114.3	158.4	-86.2	172.7	0	0	0	109
522	C	22.1	Very low	28	Very low	122 Å²	122	136 Å²	136	82%	0.824	75%	0.754	S	S	*	*			trans	-67.4	138.2	170.5	-59.4	0	0	0	0	110.9
523	S	29.4	Very low	28.1	Very low	115 Å²	115	137.8 Å²	137.8	80%	0.804	76%	0.758	S	S	*	*			trans	-151.6	119.9	154.6	46.1	0	0	0	0	109.9
524	Q	27.2	Very low	28.2	Very low	205 Å²	205	140 Å²	140	96%	0.958	77%	0.767	S	S	*	*			trans	-49.5	137.5	169.5	-65.9	164.1	-35.5	0	0	110.9
525	G	29.1	Very low	28.1	Very low	66 Å²	66	141.9 Å²	141.9	68%	0.68	77%	0.774	S	S	*	*			trans	-177.7	97.2	176.6	0	0	0	0	0	113.3	N527	G525-N527 PolarHBondContact O-N 2.94Å
526	N	27.7	Very low	28.1	Very low	159 Å²	159	142.6 Å²	142.6	85%	0.85	78%	0.78	S	S	*	*			trans	-10.6	109.7	161.8	-63.7	-24.2	0	0	0	117.2
527	N	28.2	Very low	28.2	Very low	175 Å²	175	144 Å²	144	94%	0.936	78%	0.782	S	S	*	*			trans	-103.9	81.2	156.5	-87.1	-19.8	0	0	0	109.2	G525	G525-N527 PolarHBondContact O-N 2.94Å
528	S	27.1	Very low	28.1	Very low	60 Å²	60	141.7 Å²	141.7	42%	0.42	78%	0.78	S	S	.	*			trans	-129.6	61.2	168.3	-168.1	0	0	0	0	109.3	R165	R165-S528 PolarHBondContact NH2-OG 3.29Å
529	L	29.3	Very low	28.1	Very low	149 Å²	149	141.7 Å²	141.7	78%	0.78	78%	0.78	S	S	*	*			trans	-152.9	78.1	174.6	-76.6	177.9	0	0	0	109.5
530	L	30.5	Very low	28.2	Very low	170 Å²	170	136.5 Å²	136.5	89%	0.89	78%	0.775	S	S	*	*	S	Bend	trans	-163.8	51.8	164.1	-107.6	160.6	0	0	0	109.7
531	L	30.4	Very low	28.4	Very low	103 Å²	103	134.5 Å²	134.5	54%	0.539	78%	0.775	S	S	.	*	S	Bend	trans	-166.6	2.1	158.5	-134.3	84.7	0	0	0	114.1
532	T	27.9	Very low	28.5	Very low	77 Å²	77	132.4 Å²	132.4	47%	0.472	77%	0.774	S	S	.	*			trans	-115.4	65.2	-170.4	50.1	0	0	0	0	112.4
533	H	31.6	Very low	28.7	Very low	186 Å²	186	138.9 Å²	138.9	86%	0.861	78%	0.782	S	S	*	*			trans	-158.9	58.2	154.3	-129.9	23.4	0	0	0	112.5
534	V	30.9	Very low	28.6	Very low	132 Å²	132	136.6 Å²	136.6	80%	0.8	78%	0.776	S	S	*	*	S	Bend	trans	-132	124.7	156.6	-172.6	0	0	0	0	105.2
535	M	27.5	Very low	28.6	Very low	178 Å²	178	139.1 Å²	139.1	88%	0.877	78%	0.777	S	S	*	*			trans	90.7	85	176	-40.8	-159.3	85.7	0	0	117
536	S	29.2	Very low	28.5	Very low	104 Å²	104	141.2 Å²	141.2	73%	0.727	78%	0.777	S	S	*	*			trans	-155.1	135.2	138.2	-150.4	0	0	0	0	111.3
537	Q	30.5	Very low	28.8	Very low	167 Å²	167	142.1 Å²	142.1	78%	0.78	78%	0.778	S	S	*	*			trans	84.3	87.4	162.9	-53.5	-177.7	21.6	0	0	116.1
538	T	29.5	Very low	29	Very low	124 Å²	124	140.9 Å²	140.9	76%	0.761	77%	0.771	S	S	*	*				78.5	116.8	84	56.1	0	0	0	0	114.8
539	D	25.9	Very low	29.8	Very low	150 Å²	150	141.3 Å²	141.3	80%	0.802	77%	0.769	S	S	*	*			trans	88.2	122.3	145.5	-82.5	-22	0	0	0	122.5
540	T	30	Very low	30.7	Very low	137 Å²	137	137.6 Å²	137.6	84%	0.84	75%	0.75	S	S	*	*			trans	85.4	96.5	160.3	69.2	0	0	0	0	119.4
541	G	26.5	Very low	31.5	Very low	77 Å²	77	131.6 Å²	131.6	79%	0.794	72%	0.715	S	S	*	*			trans	87.3	114.3	135.2	0	0	0	0	0	118.5
542	S	28	Very low	31.5	Very low	124 Å²	124	130.5 Å²	130.5	87%	0.867	72%	0.722	S	S	*	*			trans	96.8	93.4	152.4	-142.5	0	0	0	0	118.8
543	R	27.2	Very low	32.4	Very low	258 Å²	258	129.6 Å²	129.6	97%	0.974	71%	0.712	S	S	*	*			trans	49.1	81.1	136.8	-114.7	177.4	172.7	-174.4	-2.1	118
544	G	26.4	Very low	33.2	Very low	67 Å²	67	120.9 Å²	120.9	69%	0.691	67%	0.672	S	S	*	*			trans	-129.1	128.6	161.3	0	0	0	0	0	110.9	T546	G544-T546 PolarHBondContact O-N 3.2Å
545	R	26.9	Very low	34	Very low	258 Å²	258	116.9 Å²	116.9	97%	0.974	65%	0.646	S	S	*	*			trans	-64	99.4	178.2	-81.3	178.2	177.6	170.9	-0.7	110.5
546	T	27.3	Very low	35	Very low	111 Å²	111	109.4 Å²	109.4	68%	0.681	61%	0.609	S	S	*	*			trans	-70	137.2	157.9	38.1	0	0	0	0	108.9	G544 D548	G544-T546 PolarHBondContact O-N 3.2Å; T546-D548 PolarHBondContact O-N 3.2Å
547	M	33.5	Very low	35.7	Very low	177 Å²	177	108.1 Å²	108.1	87%	0.872	59%	0.594	S	S	*	*			trans	-60.8	105.4	168	-82.2	-176.4	174.3	0	0	107.8	L549	M547-L549 PolarHBondContact O-N 3.39Å
548	D	33.3	Very low	36	Very low	149 Å²	149	107 Å²	107	80%	0.797	59%	0.587	S	S	*	*			trans	-61.6	108.3	174.3	-75.1	-30.1	0	0	0	108.7	T546 N550	T546-D548 PolarHBondContact O-N 3.2Å; D548-N550 PolarHBondContact O-N 3.45Å
549	L	43.1	Very low	36.1	Very low	69 Å²	69	104.1 Å²	104.1	36%	0.361	57%	0.572	S	S	.	*			trans	-66.1	124.2	174.2	-65.6	171.1	0	0	0	108.2	I214 L215 M547 Y551	I214-L549 HydrophobicContact CG2-CB 4.17Å; I214-L549 HydrophobicContact CG2-CD2 3.98Å; L215-L549 HydrophobicContact CD2-CD2 3.63Å; M547-L549 PolarHBondContact O-N 3.39Å; L549-Y551 HydrophobicContact CB-CD2 3.68Å; L549-Y551 HydrophobicContact CB-CE2 3.33Å; L549-Y551 HydrophobicContact CB-CG 4.48Å; L549-Y551 HydrophobicContact CD1-CE2 3.63Å; L549-Y551 VanDerWaalsContact CD1-OH 3.31Å; L549-Y551 WeakPolarHBondContact CD1-OH 3.49Å; L549-Y551 HydrophobicContact CG-CE2 4.11Å; L549-Y551 PolarHBondContact O-N 3.23Å
550	N	47.9	Very low	36.3	Very low	72 Å²	72	104.2 Å²	104.2	39%	0.385	57%	0.572	S	S	.	*			trans	-81.8	57.9	-172.9	-166.6	8.3	0	0	0	112.3	D548 A552 Q553	D548-N550 PolarHBondContact O-N 3.45Å; N550-A552 PolarHBondContact O-N 2.92Å; N550-Q553 VanDerWaalsContact ND2-CD 3.34Å; N550-Q553 PolarHBondContact ND2-OE1 3.22Å; N550-Q553 PolarHBondContact O-N 3.45Å
551	Y	47.1	Very low	36.1	Very low	43 Å²	43	102.8 Å²	102.8	17%	0.169	57%	0.568	C	S	.	*	G	3₁₀ helix	trans	-62.9	-21.4	177.7	-66.6	-62.8	0	0	0	113.2	T170 A174 I214 L549 Q553 L554 D555	T170-Y551 HydrophobicContact CG2-CD2 3.55Å; T170-Y551 HydrophobicContact CG2-CE2 3.48Å; T170-Y551 VanDerWaalsContact CG2-CE2 3.48Å; T170-Y551 HydrophobicContact CG2-CG 4.18Å; A174-Y551 HydrophobicContact CB-CD1 3.2Å; A174-Y551 HydrophobicContact CB-CE1 3.53Å; A174-Y551 HydrophobicContact CB-CG 4.2Å; I214-Y551 HydrophobicContact CD1-CD1 3.72Å; I214-Y551 HydrophobicContact CD1-CE1 3.83Å; I214-Y551 HydrophobicContact CG1-CE1 4.37Å; I214-Y551 HydrophobicContact CG2-CD1 4.41Å; I214-Y551 HydrophobicContact CG2-CE1 4.14Å; L549-Y551 HydrophobicContact CB-CD2 3.68Å; L549-Y551 HydrophobicContact CB-CE2 3.33Å; L549-Y551 HydrophobicContact CB-CG 4.48Å; L549-Y551 HydrophobicContact CD1-CE2 3.63Å; L549-Y551 VanDerWaalsContact CD1-OH 3.31Å; L549-Y551 WeakPolarHBondContact CD1-OH 3.49Å; L549-Y551 HydrophobicContact CG-CE2 4.11Å; L549-Y551 PolarHBondContact O-N 3.23Å; Y551-Q553 PolarHBondContact O-N 2.84Å; Y551-Q553 VanDerWaalsContact O-N 3.17Å; Y551-L554 PolarHBondContact O-N 2.98Å; Y551-D555 PolarHBondContact O-N 3.41Å
552	A	30.7	Very low	36.3	Very low	81 Å²	81	105.4 Å²	105.4	67%	0.669	56%	0.564	S	S	*	*	G	3₁₀ helix	trans	-60.6	-26.5	-178	0	0	0	0	0	113.7	N550 L554	N550-A552 PolarHBondContact O-N 2.92Å; A552-L554 PolarHBondContact O-N 2.98Å
553	Q	47.3	Very low	36.5	Very low	57 Å²	57	107.5 Å²	107.5	27%	0.266	57%	0.565	S	S	.	*	G	3₁₀ helix	trans	-68.5	-23.8	176.5	-73.3	-175.4	-37.4	0	0	113	A221 N550 Y551	A221-Q553 HydrophobicContact CB-CB 4.3Å; A221-Q553 WeakPolarHBondContact CB-O 3.46Å; N550-Q553 VanDerWaalsContact ND2-CD 3.34Å; N550-Q553 PolarHBondContact ND2-OE1 3.22Å; N550-Q553 PolarHBondContact O-N 3.45Å; Y551-Q553 PolarHBondContact O-N 2.84Å; Y551-Q553 VanDerWaalsContact O-N 3.17Å
554	L	48.9	Very low	36.6	Very low	3 Å²	3	103.6 Å²	103.6	2%	0.016	56%	0.558	C	S	.	*	T	Hydrogen-bonded Turn	trans	-99	-12.5	-175.7	-64.6	175.5	0	0	0	113.3	A174 T177 W209 I214 Y219 Y551 A552 L556	A174-L554 HydrophobicContact CB-CD1 4.33Å; T177-L554 WeakPolarHBondContact CB-O 3.41Å; T177-L554 PolarHBondContact OG1-O 2.91Å; W209-L554 HydrophobicContact CZ2-CD1 4.33Å; I214-L554 HydrophobicContact CD1-CD1 3.22Å; I214-L554 HydrophobicContact CD1-CG 4.44Å; Y219-L554 HydrophobicContact CE1-CD2 3.76Å; Y551-L554 PolarHBondContact O-N 2.98Å; A552-L554 PolarHBondContact O-N 2.98Å; L554-L556 PolarHBondContact O-N 3.18Å
555	D	46.6	Very low	36.8	Very low	48 Å²	48	108.2 Å²	108.2	26%	0.257	57%	0.566	S	S	.	*			trans	-68.7	106.7	-170.3	-161.9	-24.1	0	0	0	111.4	K104 Y551 N557 K558	K104-D555 PolarHBondContact NZ-O 2.86Å; Y551-D555 PolarHBondContact O-N 3.41Å; D555-N557 PolarHBondContact OD1-N 2.93Å; D555-K558 PolarHBondContact OD1-N 3.3Å
556	L	48.2	Very low	36.7	Very low	21 Å²	21	105.3 Å²	105.3	11%	0.11	56%	0.564	C	S	.	*	S	Bend	trans	-78.4	-25	175.3	-76.5	169.3	0	0	0	112	K104 T177 C183 F222 L554	K104-L556 HydrophobicContact CD-CD2 4.12Å; K104-L556 VanDerWaalsContact CE-CA 3.42Å; K104-L556 WeakPolarHBondContact CE-O 3.43Å; K104-L556 HydrophobicContact CG-CD2 3.96Å; K104-L556 PolarHBondContact NZ-O 3.44Å; T177-L556 HydrophobicContact CG2-CB 4.36Å; T177-L556 WeakPolarHBondContact O-CD1 3.19Å; C183-L556 VanDerWaalsContact SG-CD1 3.5Å; F222-L556 HydrophobicContact CD1-CD2 4.39Å; F222-L556 HydrophobicContact CE1-CD2 3.38Å; F222-L556 HydrophobicContact CE1-CG 4.31Å; F222-L556 HydrophobicContact CE2-CD2 3.97Å; F222-L556 HydrophobicContact CE2-CG 4.48Å; F222-L556 HydrophobicContact CZ-CD1 4.15Å; F222-L556 HydrophobicContact CZ-CD2 3.13Å; F222-L556 HydrophobicContact CZ-CG 3.68Å; L554-L556 PolarHBondContact O-N 3.18Å
557	N	44.2	Very low	36.9	Very low	78 Å²	78	105.3 Å²	105.3	42%	0.417	56%	0.563	S	S	.	*	S	Bend	trans	-122.7	-2.1	-152.6	-70.4	-14.8	0	0	0	115.5	D555	D555-N557 PolarHBondContact OD1-N 2.93Å
558	K	36.5	Very low	36.5	Very low	143 Å²	143	101.5 Å²	101.5	62%	0.622	55%	0.554	S	S	*	*			trans	-133.9	119.4	178.8	-65.6	-177	179.5	178.5	0	115	D555	D555-K558 PolarHBondContact OD1-N 3.3Å
559	S	33.1	Very low	36.2	Very low	63 Å²	63	102.6 Å²	102.6	44%	0.441	56%	0.559	S	S	.	*			trans	-143.3	113.5	150.4	58.5	0	0	0	0	105.6	R101	R101-S559 PolarHBondContact NH1-OG 3.45Å; R101-S559 VanDerWaalsContact NH1-OG 3.15Å; R101-S559 VanDerWaalsContact NH2-CB 3.3Å; R101-S559 PolarHBondContact NH2-OG 2.85Å
560	D	28.8	Very low	35.4	Very low	152 Å²	152	103.5 Å²	103.5	81%	0.813	58%	0.576	S	S	*	*			trans	-49.7	152.4	-174.9	-58.7	-56.3	0	0	0	113.9
561	S	27.4	Very low	34.6	Very low	107 Å²	107	110.4 Å²	110.4	75%	0.748	60%	0.599	S	S	*	*			trans	91.6	86.7	178	90.3	0	0	0	0	116.8
562	D	30.8	Very low	33.7	Very low	132 Å²	132	115 Å²	115	71%	0.706	63%	0.626	S	S	*	*			trans	-157.2	23.5	139.4	-90.6	-17.5	0	0	0	111.2	E564	D562-E564 VanDerWaalsContact C-N 3.26Å; D562-E564 PolarHBondContact O-N 3.01Å
563	D	31.3	Very low	33.6	Very low	168 Å²	168	118.7 Å²	118.7	90%	0.898	63%	0.629	S	S	*	*			trans	-77.6	78.5	165.1	-79.8	-28.8	0	0	0	109
564	E	29.8	Very low	32.9	Very low	177 Å²	177	124 Å²	124	83%	0.827	65%	0.652	S	S	*	*			trans	-174	93.4	155	-106.9	179.2	-160	0	0	108.2	D562	D562-E564 VanDerWaalsContact C-N 3.26Å; D562-E564 PolarHBondContact O-N 3.01Å
565	L	29.7	Very low	32.1	Very low	164 Å²	164	131.2 Å²	131.2	86%	0.859	69%	0.69	S	S	*	*			trans	158.1	64.4	145.5	-82.7	154.7	0	0	0	111.8	V567	L565-V567 PolarHBondContact O-N 2.67Å
566	E	25	Very low	31.4	Very low	197 Å²	197	132.8 Å²	132.8	92%	0.921	72%	0.717	S	S	*	*			trans	-82	92.8	147.1	-90.4	-163.8	151	0	0	108.4
567	V	31.1	Very low	30.4	Very low	111 Å²	111	139.3 Å²	139.3	67%	0.673	75%	0.751	S	S	*	*			trans	-136.7	91.2	157.9	-178.3	0	0	0	0	108.2	L565	L565-V567 PolarHBondContact O-N 2.67Å
568	S	25.4	Very low	29.8	Very low	96 Å²	96	146.4 Å²	146.4	67%	0.671	77%	0.772	S	S	*	*			trans	31.1	108.6	139.9	60.2	0	0	0	0	117.8
569	L	28.1	Very low	29.5	Very low	172 Å²	172	146.3 Å²	146.3	90%	0.901	78%	0.778	S	S	*	*			trans	-154.6	91.8	140.9	-77.1	-172.6	0	0	0	110.1
570	A	24.6	Very low	29.5	Very low	89 Å²	89	150.9 Å²	150.9	74%	0.736	79%	0.792	S	S	*	*			trans	-66.9	129.8	147.4	0	0	0	0	0	107.4
571	Y	31.5	Very low	29.7	Very low	217 Å²	217	151 Å²	151	85%	0.851	79%	0.788	S	S	*	*			trans	-170.1	121.4	145.1	-100.5	-68.9	0	0	0	112.1
572	N	29.7	Very low	29.9	Very low	140 Å²	140	151.8 Å²	151.8	75%	0.749	78%	0.784	S	S	*	*			trans	-4.7	132.8	157.3	-63.1	-29.8	0	0	0	121.1
573	E	27.5	Very low	30	Very low	157 Å²	157	152.3 Å²	152.3	73%	0.734	79%	0.787	S	S	*	*			trans	3.8	114	131.3	-75.9	-172.1	164.4	0	0	117.7
574	K	32.5	Very low	30.1	Very low	169 Å²	169	151.1 Å²	151.1	74%	0.735	78%	0.779	S	S	*	*				159.7	139.9	101.9	-102.2	169.9	-173.1	179.6	0	112.9
575	D	32.7	Very low	30.1	Very low	155 Å²	155	154 Å²	154	83%	0.829	78%	0.782	S	S	*	*			trans	72.5	132	149.3	-58.6	-27.6	0	0	0	121.5
576	G	30.8	Very low	30.2	Very low	80 Å²	80	150.3 Å²	150.3	83%	0.825	78%	0.775	S	S	*	*			trans	121.7	87.6	136.1	0	0	0	0	0	117.8
577	I	28.1	Very low	30.3	Very low	159 Å²	159	146.5 Å²	146.5	82%	0.815	77%	0.771	S	S	*	*			trans	-53.3	131.4	165.6	-63.2	158.1	0	0	0	112.8
578	R	31.4	Very low	30.3	Very low	227 Å²	227	145.1 Å²	145.1	86%	0.857	77%	0.771	S	S	*	*				-178.3	140.5	123.3	-113.4	169.9	85.8	178.7	4.7	114.9
579	D	29.4	Very low	30.6	Very low	141 Å²	141	148.6 Å²	148.6	75%	0.754	78%	0.776	S	S	*	*			trans	-65.1	174.2	179.1	-65.6	-58.6	0	0	0	117
580	Q	34	Very low	30.9	Very low	159 Å²	159	147.1 Å²	147.1	74%	0.743	77%	0.765	S	S	*	*			trans	106.6	106.5	156.8	-62.8	-179.5	6.3	0	0	113.5
581	Q	32.6	Very low	31.2	Very low	153 Å²	153	148.9 Å²	148.9	72%	0.715	76%	0.762	S	S	*	*				105.7	127.6	63.5	-104.4	178.5	-57.9	0	0	110.7
582	D	32.7	Very low	31.3	Very low	124 Å²	124	146 Å²	146	66%	0.663	76%	0.759	S	S	*	*			trans	75.3	112.3	144.6	-54.8	-24.9	0	0	0	120.8
583	D	33.1	Very low	31.4	Very low	144 Å²	144	144.2 Å²	144.2	77%	0.77	76%	0.758	S	S	*	*				102.7	138.5	115.7	-103.2	-20.1	0	0	0	122.8
584	I	33	Very low	31.8	Very low	142 Å²	142	142.2 Å²	142.2	73%	0.728	76%	0.757	S	S	*	*			trans	91.4	100.1	148.1	-60.6	154.6	0	0	0	120
585	R	29.3	Very low	31.8	Very low	237 Å²	237	141.1 Å²	141.1	89%	0.894	76%	0.759	S	S	*	*				43.6	126.1	123.6	-82.5	179.1	177.1	176.6	0.2	122.2
586	A	30.9	Very low	31.7	Very low	87 Å²	87	141.7 Å²	141.7	72%	0.719	76%	0.761	S	S	*	*				102.6	119.2	118.7	0	0	0	0	0	120.9
587	S	27.6	Very low	31.4	Very low	118 Å²	118	145.5 Å²	145.5	83%	0.825	76%	0.763	S	S	*	*			trans	66.9	119	132.8	55.1	0	0	0	0	121.5
588	A	31.2	Very low	31.6	Very low	81 Å²	81	145.5 Å²	145.5	67%	0.669	76%	0.763	S	S	*	*				174.9	121.3	122.3	0	0	0	0	0	109.3
589	Q	33	Very low	31.6	Very low	169 Å²	169	141.9 Å²	141.9	79%	0.79	76%	0.759	S	S	*	*				68.9	135.1	111.2	-66.4	178.4	-25	0	0	113.8
590	Q	33.2	Very low	31.3	Very low	142 Å²	142	140.7 Å²	140.7	66%	0.664	76%	0.761	S	S	*	*			cis	-179.7	155.6	21.7	-122.9	173	7.6	0	0	108.3
591	N	31.6	Very low	31	Very low	125 Å²	125	141.5 Å²	141.5	67%	0.668	77%	0.765	S	S	*	*			trans	98.3	124.8	136.7	-70.6	-14.5	0	0	0	124.2
592	I	32.5	Very low	30.9	Very low	156 Å²	156	139.4 Å²	139.4	80%	0.8	77%	0.767	S	S	*	*			trans	104.8	95.1	144.2	-61.6	144	0	0	0	116.2
593	S	32.3	Very low	30.8	Very low	103 Å²	103	141.4 Å²	141.4	72%	0.72	78%	0.777	S	S	*	*				77.8	128.9	89.6	-124.3	0	0	0	0	112.6
594	T	35.6	Very low	30.5	Very low	116 Å²	116	139.1 Å²	139.1	71%	0.712	77%	0.772	S	S	*	*			cis	-175	144.8	40.7	23.3	0	0	0	0	112.1
595	N	32.1	Very low	30.4	Very low	145 Å²	145	140.1 Å²	140.1	78%	0.775	78%	0.779	S	S	*	*			trans	54.4	116.5	145.5	-79.8	-40.7	0	0	0	123.6
596	L	30.7	Very low	30.5	Very low	167 Å²	167	134 Å²	134	87%	0.874	78%	0.779	S	S	*	*				-175.7	111.6	89.5	-116.5	114.6	0	0	0	111.1
597	D	25.4	Very low	30.4	Very low	161 Å²	161	138.9 Å²	138.9	86%	0.861	78%	0.784	S	S	*	*			trans	-141.3	125.9	164.9	-104.2	-25	0	0	0	107.3
598	L	33.3	Very low	30.5	Very low	158 Å²	158	140 Å²	140	83%	0.827	78%	0.781	S	S	*	*			trans	-150.8	115.8	165.4	-95.7	173.9	0	0	0	111.5
599	I	30	Very low	30.7	Very low	151 Å²	151	145 Å²	145	77%	0.774	79%	0.79	S	S	*	*			trans	103.4	107.5	137.9	-56	158.6	0	0	0	117.6
600	C	24.4	Very low	30.6	Very low	117 Å²	117	144 Å²	144	79%	0.791	79%	0.787	S	S	*	*			trans	-99.3	168.9	158.9	-160.5	0	0	0	0	109.8
601	E	26	Very low	30.4	Very low	176 Å²	176	143 Å²	143	82%	0.822	79%	0.786	S	S	*	*			trans	86.6	109.9	168.2	-59.9	-172.9	159.2	0	0	118.9
602	S	32	Very low	30.1	Very low	109 Å²	109	141.6 Å²	141.6	76%	0.762	79%	0.785	S	S	*	*				-175.7	127.5	116.4	28.4	0	0	0	0	114.5
603	L	30.2	Very low	30	Very low	165 Å²	165	143.8 Å²	143.8	86%	0.864	79%	0.789	S	S	*	*			trans	83.7	98.2	137.3	-64.2	160.6	0	0	0	121.3
604	S	26.1	Very low	29.7	Very low	97 Å²	97	143.5 Å²	143.5	68%	0.678	79%	0.787	S	S	*	*			trans	-55.6	133.8	142.3	49.8	0	0	0	0	114.1
605	N	30.6	Very low	29.5	Very low	163 Å²	163	144.6 Å²	144.6	87%	0.872	79%	0.789	S	S	*	*			trans	156.8	122.1	133.3	-90.1	-21.8	0	0	0	112
606	A	32.6	Very low	29.3	Very low	107 Å²	107	144.2 Å²	144.2	88%	0.884	79%	0.787	S	S	*	*				175.9	111.5	127.2	0	0	0	0	0	110.9
607	K	29	Very low	29.4	Very low	190 Å²	190	143.5 Å²	143.5	83%	0.826	78%	0.783	S	S	*	*			trans	-89.7	156.2	166.4	-94.8	179.4	175	175.4	0	110
608	N	29.4	Very low	29.5	Very low	142 Å²	142	140.4 Å²	140.4	76%	0.759	77%	0.774	S	S	*	*			trans	81	115.4	151.1	-59	-19.9	0	0	0	119.7
609	H	34	Very low	29.4	Very low	185 Å²	185	139.4 Å²	139.4	86%	0.856	77%	0.769	S	S	*	*				-171.1	103.3	122.7	-109	-84	0	0	0	108
610	M	31.4	Very low	29.4	Very low	150 Å²	150	140.8 Å²	140.8	74%	0.739	77%	0.77	S	S	*	*				78.9	111.7	83.5	-120.9	-150.1	168.9	0	0	116.5
611	N	28.6	Very low	29.7	Very low	120 Å²	120	142.9 Å²	142.9	64%	0.642	77%	0.773	S	S	*	*				82	130.8	129.3	-84.2	14.6	0	0	0	125.5
612	C	26.8	Very low	29.7	Very low	95 Å²	95	140.8 Å²	140.8	64%	0.642	77%	0.773	S	S	*	*			trans	72.4	126.6	145.1	-60.5	0	0	0	0	116.7
613	F	29.8	Very low	29.6	Very low	202 Å²	202	143.2 Å²	143.2	89%	0.886	78%	0.775	S	S	*	*				-157.6	147.8	57.2	-96.1	-91	0	0	0	113.9
614	S	25.9	Very low	29.4	Very low	98 Å²	98	140.8 Å²	140.8	69%	0.685	77%	0.769	S	S	*	*			trans	-80.8	157.4	170	-42.8	0	0	0	0	112.1
615	D	32.2	Very low	29.3	Very low	138 Å²	138	141.5 Å²	141.5	74%	0.738	78%	0.775	S	S	*	*			trans	153.2	108.2	141	-80.4	-28.9	0	0	0	110.1
616	N	27.2	Very low	29.1	Very low	137 Å²	137	139.2 Å²	139.2	73%	0.733	77%	0.771	S	S	*	*				81.7	143.1	82.5	-84.5	-43.7	0	0	0	114.7
617	L	32.8	Very low	28.8	Very low	153 Å²	153	142.5 Å²	142.5	80%	0.801	77%	0.77	S	S	*	*			trans	88.3	106.1	172	-62.8	113.6	0	0	0	116.5
618	S	27.9	Very low	29	Very low	96 Å²	96	141.5 Å²	141.5	67%	0.671	77%	0.773	S	S	*	*				69.7	102.8	52.9	83.5	0	0	0	0	115.2
619	N	30.9	Very low	28.8	Very low	137 Å²	137	142.8 Å²	142.8	73%	0.733	77%	0.774	S	S	*	*			trans	167.1	113.5	137.8	-95.8	-26.8	0	0	0	109.4
620	K	28.9	Very low	28.5	Very low	179 Å²	179	139.5 Å²	139.5	78%	0.778	77%	0.771	S	S	*	*				57.5	109.6	97.2	-71.7	-173.9	179.8	178.7	0	113.2
621	N	30.6	Very low	28.2	Very low	162 Å²	162	137.7 Å²	137.7	87%	0.866	76%	0.764	S	S	*	*				-164.7	118.2	119.3	-90.6	-20.8	0	0	0	112.2
622	T	26.9	Very low	28.3	Very low	132 Å²	132	139.7 Å²	139.7	81%	0.81	77%	0.774	S	S	*	*			trans	-67.3	133	165.1	-35.8	0	0	0	0	110.1
623	I	29.6	Very low	28.3	Very low	160 Å²	160	141.1 Å²	141.1	82%	0.821	78%	0.78	S	S	*	*			trans	-141.6	135.9	153.2	-58.2	-176.6	0	0	0	107.9
624	P	26	Very low	28.2	Very low	113 Å²	113	139.3 Å²	139.3	73%	0.734	77%	0.774	S	S	*	*			trans	-100.5	172.7	-157.4	24	-5.7	0	0	0	114.9
625	S	23.8	Very low	28.5	Very low	113 Å²	113	141 Å²	141	79%	0.79	79%	0.785	S	S	*	*			trans	-44.2	154.4	171.1	-45.5	0	0	0	0	115.9
626	S	25.7	Very low	28.9	Very low	114 Å²	114	141.2 Å²	141.2	80%	0.797	78%	0.781	S	S	*	*			trans	101.6	137.9	166	78.4	0	0	0	0	116.6
627	M	27.7	Very low	30.1	Very low	176 Å²	176	141.7 Å²	141.7	87%	0.867	79%	0.789	S	S	*	*			trans	85.5	94.5	179	-50.5	-163.8	95.9	0	0	116.1
628	L	31.8	Very low	32	Very low	169 Å²	169	139.8 Å²	139.8	89%	0.885	77%	0.771	S	S	*	*				-167.9	89.6	111.7	-92.4	161.7	0	0	0	108.4
629	H	26.5	Very low	34.6	Very low	169 Å²	169	137.6 Å²	137.6	78%	0.782	76%	0.756	S	S	*	*			trans	-70.1	121.1	154.7	-153.3	-70.2	0	0	0	105.5	D631	H629-D631 IonicContact CE1-OD1 3.61Å; H629-D631 IonicContact ND1-OD1 3.73Å
630	C	28.2	Very low	37.1	Very low	116 Å²	116	134.2 Å²	134.2	78%	0.784	74%	0.74	S	S	*	*			trans	-145.4	113	163.8	-151.5	0	0	0	0	108.3
631	D	24.9	Very low	39.8	Very low	112 Å²	112	130.4 Å²	130.4	60%	0.599	73%	0.728	S	S	*	*			trans	-59.7	136.6	177.3	-56.5	-59.2	0	0	0	111.3	H629	H629-D631 IonicContact CE1-OD1 3.61Å; H629-D631 IonicContact ND1-OD1 3.73Å
632	L	29.1	Very low	42.7	Very low	163 Å²	163	127 Å²	127	85%	0.853	71%	0.707	S	S	*	*			trans	-140.8	70.3	155.1	-75.8	176.8	0	0	0	109.2
633	T	28.1	Very low	45.9	Very low	124 Å²	124	121.2 Å²	121.2	76%	0.761	67%	0.671	S	S	*	*			trans	-66.9	148.4	145.2	32.8	0	0	0	0	109.1
634	E	28	Very low	48.9	Very low	164 Å²	164	114.3 Å²	114.3	77%	0.766	64%	0.636	S	S	*	*			trans	76.3	84.3	-175.3	-64.4	-172.8	164.8	0	0	117.1	Q636	E634-Q636 PolarHBondContact O-N 3.45Å
635	C	32.5	Very low	52	Low	134 Å²	134	117.1 Å²	117.1	91%	0.905	63%	0.632	S	S	*	*			trans	-77.2	80.9	157.3	-163.5	0	0	0	0	108.9
636	Q	40.4	Very low	55.3	Low	142 Å²	142	115.3 Å²	115.3	66%	0.664	61%	0.611	S	S	*	*			trans	-55.5	136.7	154.6	-71.3	175.5	0.5	0	0	107.9	E634 R638	E634-Q636 PolarHBondContact O-N 3.45Å; Q636-R638 VanDerWaalsContact C-N 3.27Å; Q636-R638 PolarHBondContact O-N 3.23Å
637	T	52.8	Low	58.5	Low	147 Å²	147	109.9 Å²	109.9	90%	0.902	57%	0.573	S	S	*	*			trans	-61.9	85.8	175.1	32	0	0	0	0	110.2	S639	T637-S639 PolarHBondContact O-N 2.85Å
638	R	70.9	Confident	61.7	Low	114 Å²	114	103.8 Å²	103.8	43%	0.43	54%	0.543	S	S	.	.			trans	-58	132.6	176	-78.5	-175.2	169.6	174.9	-1.3	110	Q636 N643 E646 N668	Q636-R638 VanDerWaalsContact C-N 3.27Å; Q636-R638 PolarHBondContact O-N 3.23Å; R638-N643 WeakPolarHBondContact CB-OD1 3.18Å; R638-N643 WeakPolarHBondContact CD-OD1 3.41Å; R638-E646 IonicContact CZ-OE2 3.08Å; R638-E646 IonicContact NH1-OE1 3.91Å; R638-E646 PolarHBondContact NH1-OE1 3.44Å; R638-E646 IonicContact NH1-OE2 3.23Å; R638-E646 PolarHBondContact NH1-OE2 3.43Å; R638-N668 PolarHBondContact O-ND2 3.23Å
639	S	83.5	Confident	64.6	Low	50 Å²	50	98.6 Å²	98.6	35%	0.35	53%	0.531	S	S	.	.			trans	-64.5	152.8	176	66.8	0	0	0	0	110.6	T637 N641 E642 N643	T637-S639 PolarHBondContact O-N 2.85Å; S639-N641 PolarHBondContact O-N 3Å; S639-N641 VanDerWaalsContact O-N 3.13Å; S639-E642 PolarHBondContact N-OE2 3.25Å; S639-E642 PolarHBondContact O-N 3.39Å; S639-E642 WeakPolarHBondContact OG-CG 3.37Å; S639-E642 PolarHBondContact OG-N 3.06Å; S639-E642 PolarHBondContact OG-OE2 3.31Å; S639-N643 PolarHBondContact O-N 3.09Å
640	V	82.7	Confident	67.7	Low	66 Å²	66	94.7 Å²	94.7	40%	0.4	52%	0.515	S	S	.	.	H	α-helix	trans	-53.6	-35.4	175.8	179.2	0	0	0	0	111.2	E642 M644 N668	V640-E642 PolarHBondContact O-N 3.41Å; V640-M644 WeakPolarHBondContact O-CB 3.48Å; V640-M644 PolarHBondContact O-N 2.89Å; V640-N668 HydrophobicContact CG2-CB 4.34Å
641	N	87	Confident	70.7	Confident	99 Å²	99	90.1 Å²	90.1	53%	0.529	48%	0.482	S	S	.	.	H	α-helix	trans	-69.8	-26.1	179.2	-68.2	-27.2	0	0	0	114.3	S639 R645	S639-N641 PolarHBondContact O-N 3Å; S639-N641 VanDerWaalsContact O-N 3.13Å; N641-R645 PolarHBondContact O-N 2.98Å; N641-R645 PolarHBondContact O-NE 3.18Å
642	E	91	Very high	73.7	Confident	89 Å²	89	89.9 Å²	89.9	42%	0.416	49%	0.487	S	S	.	.	H	α-helix	trans	-78.2	-49.8	174.6	-75	162.9	153.4	0	0	110.3	S639 V640 M644 R645 E646	S639-E642 PolarHBondContact N-OE2 3.25Å; S639-E642 PolarHBondContact O-N 3.39Å; S639-E642 WeakPolarHBondContact OG-CG 3.37Å; S639-E642 PolarHBondContact OG-N 3.06Å; S639-E642 PolarHBondContact OG-OE2 3.31Å; V640-E642 PolarHBondContact O-N 3.41Å; E642-M644 PolarHBondContact O-N 2.84Å; E642-R645 PolarHBondContact O-N 3.22Å; E642-E646 PolarHBondContact O-N 2.55Å
643	N	93.1	Very high	76.6	Confident	11 Å²	11	87.5 Å²	87.5	6%	0.059	47%	0.471	C	S	.	.	H	α-helix	trans	-61.6	-33.8	176.4	-73.3	-14.6	0	0	0	111.7	R638 S639 E646 L647 L663 N668 L670	R638-N643 WeakPolarHBondContact CB-OD1 3.18Å; R638-N643 WeakPolarHBondContact CD-OD1 3.41Å; S639-N643 PolarHBondContact O-N 3.09Å; N643-E646 PolarHBondContact O-N 2.65Å; N643-L647 WeakPolarHBondContact O-CB 3.47Å; N643-L647 PolarHBondContact O-N 3.14Å; N643-L663 HydrophobicContact CB-CD1 3.95Å; N643-L663 HydrophobicContact CB-CD2 3.83Å; N643-N668 PolarHBondContact ND2-ND2 2.97Å; N643-N668 PolarHBondContact ND2-O 3.46Å; N643-N668 PolarHBondContact ND2-OD1 3.29Å; N643-L670 HydrophobicContact CB-CB 4.5Å; N643-L670 HydrophobicContact CB-CD1 4.37Å; N643-L670 WeakPolarHBondContact O-CD1 3.28Å
644	M	92.8	Very high	79.5	Confident	15 Å²	15	81.9 Å²	81.9	7%	0.074	44%	0.437	C	S	.	.	H	α-helix	trans	-64.6	-46.2	175.5	-175.7	179.4	73.8	0	0	111.8	V640 E642 E646 L647 I648 E656 A659 T660 L663	V640-M644 WeakPolarHBondContact O-CB 3.48Å; V640-M644 PolarHBondContact O-N 2.89Å; E642-M644 PolarHBondContact O-N 2.84Å; M644-E646 VanDerWaalsContact C-N 3.31Å; M644-E646 PolarHBondContact O-N 3.15Å; M644-L647 PolarHBondContact O-N 3.15Å; M644-I648 HydrophobicContact CG-CD1 3.95Å; M644-I648 VanDerWaalsContact O-CG1 3.28Å; M644-I648 WeakPolarHBondContact O-CG1 3.18Å; M644-I648 PolarHBondContact O-N 3.11Å; M644-E656 HydrophobicContact CE-CG 3.79Å; M644-E656 WeakPolarHBondContact CE-OE1 3.36Å; M644-E656 HydrophobicContact SD-CG 3.58Å; M644-E656 VanDerWaalsContact SD-CG 3.58Å; M644-A659 HydrophobicContact CG-CB 3.93Å; M644-T660 PolarHBondContact SD-OG1 2.99Å; M644-L663 VanDerWaalsContact CA-CD1 3.4Å; M644-L663 HydrophobicContact CB-CD1 3.78Å; M644-L663 VanDerWaalsContact N-CD1 3.29Å
645	R	92.2	Very high	82.6	Confident	172 Å²	172	77.8 Å²	77.8	65%	0.649	42%	0.423	S	S	*	.	H	α-helix	trans	-63.3	-38.6	176.9	-82.2	-176.5	-82.9	162.4	-6.9	112.1	N641 E642 G649	N641-R645 PolarHBondContact O-N 2.98Å; N641-R645 PolarHBondContact O-NE 3.18Å; E642-R645 PolarHBondContact O-N 3.22Å; R645-G649 PolarHBondContact O-N 3.17Å
646	E	93	Very high	85.4	Confident	75 Å²	75	77.3 Å²	77.3	35%	0.35	41%	0.407	S	S	.	.	H	α-helix	trans	-70.1	-40.4	177.2	-165.4	171.1	-172.1	0	0	112.1	R638 E642 N643 M644 G649 L650 L670	R638-E646 IonicContact CZ-OE2 3.08Å; R638-E646 IonicContact NH1-OE1 3.91Å; R638-E646 PolarHBondContact NH1-OE1 3.44Å; R638-E646 IonicContact NH1-OE2 3.23Å; R638-E646 PolarHBondContact NH1-OE2 3.43Å; E642-E646 PolarHBondContact O-N 2.55Å; N643-E646 PolarHBondContact O-N 2.65Å; M644-E646 VanDerWaalsContact C-N 3.31Å; M644-E646 PolarHBondContact O-N 3.15Å; E646-G649 PolarHBondContact O-N 3.01Å; E646-L650 WeakPolarHBondContact O-CG 3.48Å; E646-L650 PolarHBondContact O-N 2.91Å; E646-L670 HydrophobicContact CB-CD1 4.34Å; E646-L670 HydrophobicContact CB-CD2 4.19Å; E646-L670 HydrophobicContact CG-CD2 3.73Å; E646-L670 VanDerWaalsContact OE2-CD2 3.22Å; E646-L670 WeakPolarHBondContact OE2-CD2 3.39Å
647	L	93.4	Very high	87.8	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-65.4	-41.6	177.4	-171.5	63	0	0	0	112.2	N643 M644 G649 L650 H651 M654 A659 L662 L663 L670 H674	N643-L647 WeakPolarHBondContact O-CB 3.47Å; N643-L647 PolarHBondContact O-N 3.14Å; M644-L647 PolarHBondContact O-N 3.15Å; L647-G649 VanDerWaalsContact C-N 3.32Å; L647-L650 PolarHBondContact O-N 3.01Å; L647-H651 PolarHBondContact O-N 2.89Å; L647-H651 VanDerWaalsContact O-N 3.12Å; L647-M654 HydrophobicContact CD1-CE 3.92Å; L647-M654 HydrophobicContact CD2-CE 4.04Å; L647-M654 HydrophobicContact CD2-SD 3.76Å; L647-M654 HydrophobicContact CG-CE 3.54Å; L647-M654 HydrophobicContact CG-SD 3.84Å; L647-A659 HydrophobicContact CD2-CB 4.18Å; L647-L662 HydrophobicContact CD2-CB 4.28Å; L647-L663 HydrophobicContact CD2-CD1 4.34Å; L647-L663 HydrophobicContact CD2-CD2 4.47Å; L647-L663 HydrophobicContact CD2-CG 4.04Å; L647-L670 HydrophobicContact CB-CD1 3.71Å; L647-L670 HydrophobicContact CD1-CD1 4.11Å; L647-L670 HydrophobicContact CG-CD1 4.44Å; L647-H674 HydrophobicContact CD1-CB 4.2Å
648	I	93.3	Very high	89.6	Confident	49 Å²	49	69 Å²	69	25%	0.251	37%	0.374	S	S	.	.	H	α-helix	trans	-67.4	-34.7	173.2	-64.9	168.2	0	0	0	110.7	M644 L650 H651 P652 E656 A659	M644-I648 HydrophobicContact CG-CD1 3.95Å; M644-I648 VanDerWaalsContact O-CG1 3.28Å; M644-I648 WeakPolarHBondContact O-CG1 3.18Å; M644-I648 PolarHBondContact O-N 3.11Å; I648-L650 VanDerWaalsContact C-N 3.33Å; I648-L650 PolarHBondContact O-N 3.46Å; I648-H651 CarbonylContact O-C 3.5Å; I648-H651 PolarHBondContact O-N 3.14Å; I648-P652 WeakPolarHBondContact O-CA 3.28Å; I648-E656 HydrophobicContact CD1-CB 4.19Å; I648-E656 HydrophobicContact CD1-CG 4.27Å; I648-A659 HydrophobicContact CD1-CB 4.05Å; I648-A659 HydrophobicContact CG1-CB 3.72Å
649	G	93.1	Very high	90.7	Very high	60 Å²	60	63.6 Å²	63.6	62%	0.619	35%	0.353	S	S	*	.	H	α-helix	trans	-64.5	-35.1	173.6	0	0	0	0	0	113.4	R645 E646 L647	R645-G649 PolarHBondContact O-N 3.17Å; E646-G649 PolarHBondContact O-N 3.01Å; L647-G649 VanDerWaalsContact C-N 3.32Å
650	L	91.9	Very high	91.1	Very high	87 Å²	87	63.8 Å²	63.8	46%	0.455	35%	0.352	S	S	.	.	H	α-helix	trans	-74.8	-30.4	175.9	-70.1	169.8	0	0	0	112.8	E646 L647 I648	E646-L650 WeakPolarHBondContact O-CG 3.48Å; E646-L650 PolarHBondContact O-N 2.91Å; L647-L650 PolarHBondContact O-N 3.01Å; I648-L650 VanDerWaalsContact C-N 3.33Å; I648-L650 PolarHBondContact O-N 3.46Å
651	H	90.9	Very high	91.5	Very high	19 Å²	19	65.5 Å²	65.5	9%	0.088	36%	0.359	C	S	.	.			trans	-137	85.1	-177.4	-57.4	-67.7	0	0	0	110.6	L647 I648 E653 M654 H674 W677	L647-H651 PolarHBondContact O-N 2.89Å; L647-H651 VanDerWaalsContact O-N 3.12Å; I648-H651 CarbonylContact O-C 3.5Å; I648-H651 PolarHBondContact O-N 3.14Å; H651-E653 IonicContact ND1-OE1 3.26Å; H651-E653 PolarHBondContact O-N 3.39Å; H651-E653 VanDerWaalsContact O-N 3.09Å; H651-M654 HydrophobicContact CB-CB 4.27Å; H651-M654 HydrophobicContact CB-CE 3.62Å; H651-M654 VanDerWaalsContact O-CB 3.23Å; H651-M654 WeakPolarHBondContact O-CB 3.23Å; H651-M654 PolarHBondContact O-N 2.96Å; H651-H674 AromaticContact CD2-ND1 3.78Å; H651-H674 AromaticContact CE1-CE1 3.54Å; H651-H674 AromaticContact CE1-ND1 3.63Å; H651-H674 AromaticContact NE2-CE1 3.33Å; H651-H674 PolarHBondContact NE2-CE1 3.28Å; H651-H674 VanDerWaalsContact NE2-CE1 3.33Å; H651-H674 AromaticContact NE2-CG 3.81Å; H651-H674 AromaticContact NE2-ND1 2.93Å; H651-H674 PolarHBondContact NE2-ND1 3.29Å; H651-W677 HydrophobicContact CB-CG 4.37Å; H651-W677 AromaticContact CD2-CD1 3.37Å; H651-W677 AromaticContact CD2-CG 3.79Å; H651-W677 AromaticContact CE1-CD1 3.54Å; H651-W677 AromaticContact CG-CD1 3.17Å; H651-W677 AromaticContact CG-CG 3.97Å; H651-W677 AromaticContact CG-NE1 3.53Å; H651-W677 AromaticContact ND1-CD1 3.3Å; H651-W677 VanDerWaalsContact ND1-CD1 3.3Å; H651-W677 AromaticContact ND1-NE1 3.72Å; H651-W677 AromaticContact NE2-CD1 3.56Å
652	P	88.9	Confident	91.7	Very high	108 Å²	108	61 Å²	61	70%	0.701	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-21.1	-174.4	-24.4	34.1	0	0	0	114.9	I648 M654	I648-P652 WeakPolarHBondContact O-CA 3.28Å; P652-M654 VanDerWaalsContact C-N 3.27Å
653	E	88.3	Confident	91.8	Very high	113 Å²	113	56.8 Å²	56.8	53%	0.528	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-11.7	175.5	67.4	-87.4	-167.9	0	0	113.9	H651 W677	H651-E653 IonicContact ND1-OE1 3.26Å; H651-E653 PolarHBondContact O-N 3.39Å; H651-E653 VanDerWaalsContact O-N 3.09Å; E653-W677 HydrophobicContact CG-CZ2 3.58Å; E653-W677 PolarHBondContact OE1-NE1 3.19Å
654	M	90.5	Very high	91.6	Very high	6 Å²	6	61 Å²	61	3%	0.03	34%	0.341	C	S	.	.	S	Bend	trans	-81.3	123	-177.5	-169.5	179.5	-25.9	0	0	111.1	L647 H651 P652 T658 A659 L662 W677	L647-M654 HydrophobicContact CD1-CE 3.92Å; L647-M654 HydrophobicContact CD2-CE 4.04Å; L647-M654 HydrophobicContact CD2-SD 3.76Å; L647-M654 HydrophobicContact CG-CE 3.54Å; L647-M654 HydrophobicContact CG-SD 3.84Å; H651-M654 HydrophobicContact CB-CB 4.27Å; H651-M654 HydrophobicContact CB-CE 3.62Å; H651-M654 VanDerWaalsContact O-CB 3.23Å; H651-M654 WeakPolarHBondContact O-CB 3.23Å; H651-M654 PolarHBondContact O-N 2.96Å; P652-M654 VanDerWaalsContact C-N 3.27Å; M654-T658 HydrophobicContact CG-CG2 4.41Å; M654-A659 HydrophobicContact CG-CB 4.18Å; M654-A659 VanDerWaalsContact SD-CA 3.5Å; M654-A659 HydrophobicContact SD-CB 3.63Å; M654-L662 HydrophobicContact CE-CD1 4.46Å; M654-L662 HydrophobicContact SD-CD1 3.9Å; M654-W677 HydrophobicContact CB-CD2 4.38Å; M654-W677 HydrophobicContact CB-CE3 4.36Å; M654-W677 HydrophobicContact CB-CH2 4Å; M654-W677 HydrophobicContact CB-CZ2 3.97Å; M654-W677 HydrophobicContact CB-CZ3 4.2Å; M654-W677 HydrophobicContact CE-CB 4.03Å; M654-W677 HydrophobicContact CE-CD2 3.52Å; M654-W677 HydrophobicContact CE-CE3 3.8Å; M654-W677 HydrophobicContact CE-CG 3.6Å; M654-W677 HydrophobicContact CG-CD2 4.25Å; M654-W677 HydrophobicContact CG-CE3 3.8Å; M654-W677 HydrophobicContact CG-CH2 3.96Å; M654-W677 HydrophobicContact CG-CZ2 4.35Å; M654-W677 HydrophobicContact CG-CZ3 3.68Å; M654-W677 HydrophobicContact SD-CD2 4.21Å; M654-W677 HydrophobicContact SD-CE3 3.86Å; M654-W677 HydrophobicContact SD-CZ3 4.31Å
655	T	91.9	Very high	91.4	Very high	78 Å²	78	66.3 Å²	66.3	48%	0.479	37%	0.369	S	S	.	.			trans	-69	151.9	172.9	76	0	0	0	0	111.4	A657 T658 A659	T655-A657 PolarHBondContact O-N 2.91Å; T655-T658 PolarHBondContact O-N 3.12Å; T655-T658 PolarHBondContact OG1-N 2.96Å; T655-T658 PolarHBondContact OG1-OG1 2.95Å; T655-A659 PolarHBondContact O-N 3.12Å
656	E	92.3	Very high	91.4	Very high	124 Å²	124	58.7 Å²	58.7	58%	0.579	34%	0.342	S	S	*	.	H	α-helix	trans	-56.5	-35.9	176.7	-168.2	177.3	-176.3	0	0	112.6	M644 I648 A659 T660	M644-E656 HydrophobicContact CE-CG 3.79Å; M644-E656 WeakPolarHBondContact CE-OE1 3.36Å; M644-E656 HydrophobicContact SD-CG 3.58Å; M644-E656 VanDerWaalsContact SD-CG 3.58Å; I648-E656 HydrophobicContact CD1-CB 4.19Å; I648-E656 HydrophobicContact CD1-CG 4.27Å; E656-A659 PolarHBondContact O-N 2.75Å; E656-T660 WeakPolarHBondContact O-CB 3.47Å; E656-T660 PolarHBondContact O-N 2.93Å; E656-T660 PolarHBondContact O-OG1 3.12Å
657	A	90.8	Very high	91.3	Very high	74 Å²	74	62.3 Å²	62.3	61%	0.612	36%	0.359	S	S	*	.	H	α-helix	trans	-63.4	-42.8	173.9	0	0	0	0	0	112	T655 L661	T655-A657 PolarHBondContact O-N 2.91Å; A657-L661 WeakPolarHBondContact O-CB 3.39Å; A657-L661 PolarHBondContact O-N 2.98Å
658	T	91.2	Very high	91.2	Very high	40 Å²	40	64.3 Å²	64.3	25%	0.245	37%	0.369	C	S	.	.	H	α-helix	trans	-70.5	-38.1	177.7	-41.8	0	0	0	0	112.2	M654 T655 L661 L662 W677	M654-T658 HydrophobicContact CG-CG2 4.41Å; T655-T658 PolarHBondContact O-N 3.12Å; T655-T658 PolarHBondContact OG1-N 2.96Å; T655-T658 PolarHBondContact OG1-OG1 2.95Å; T658-L661 PolarHBondContact O-N 3.33Å; T658-L662 WeakPolarHBondContact O-CB 3.22Å; T658-L662 PolarHBondContact O-N 3.31Å; T658-W677 HydrophobicContact CG2-CE3 4.22Å; T658-W677 HydrophobicContact CG2-CZ3 3.56Å
659	A	92.8	Very high	91	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-63.3	-44.5	175.2	0	0	0	0	0	111.5	M644 L647 I648 M654 T655 E656 L662 L663	M644-A659 HydrophobicContact CG-CB 3.93Å; L647-A659 HydrophobicContact CD2-CB 4.18Å; I648-A659 HydrophobicContact CD1-CB 4.05Å; I648-A659 HydrophobicContact CG1-CB 3.72Å; M654-A659 HydrophobicContact CG-CB 4.18Å; M654-A659 VanDerWaalsContact SD-CA 3.5Å; M654-A659 HydrophobicContact SD-CB 3.63Å; T655-A659 PolarHBondContact O-N 3.12Å; E656-A659 PolarHBondContact O-N 2.75Å; A659-L662 PolarHBondContact O-N 3.5Å; A659-L663 WeakPolarHBondContact O-CB 3.43Å; A659-L663 WeakPolarHBondContact O-CG 3.24Å; A659-L663 PolarHBondContact O-N 3.18Å
660	T	91.6	Very high	90.9	Very high	55 Å²	55	67.9 Å²	67.9	34%	0.337	36%	0.363	S	S	.	.	H	α-helix	trans	-61.1	-44.7	174.9	-56.8	0	0	0	0	111.2	M644 E656 L663 T664	M644-T660 PolarHBondContact SD-OG1 2.99Å; E656-T660 WeakPolarHBondContact O-CB 3.47Å; E656-T660 PolarHBondContact O-N 2.93Å; E656-T660 PolarHBondContact O-OG1 3.12Å; T660-L663 PolarHBondContact O-N 3.45Å; T660-T664 WeakPolarHBondContact O-CB 3.19Å; T660-T664 PolarHBondContact O-N 3.36Å; T660-T664 PolarHBondContact O-OG1 2.93Å
661	L	91.1	Very high	90.9	Very high	102 Å²	102	70.4 Å²	70.4	53%	0.534	37%	0.372	S	S	.	.	H	α-helix	trans	-63.1	-46.3	177.8	-176.1	66.6	0	0	0	111.5	A657 T658 L663 T664 L665	A657-L661 WeakPolarHBondContact O-CB 3.39Å; A657-L661 PolarHBondContact O-N 2.98Å; T658-L661 PolarHBondContact O-N 3.33Å; L661-L663 PolarHBondContact O-N 3.26Å; L661-T664 PolarHBondContact O-N 2.93Å; L661-L665 HydrophobicContact CD1-CD1 4.37Å; L661-L665 HydrophobicContact CD1-CG 4.48Å; L661-L665 HydrophobicContact CG-CD1 4.02Å; L661-L665 WeakPolarHBondContact O-CB 3.43Å; L661-L665 VanDerWaalsContact O-CG 3.3Å; L661-L665 WeakPolarHBondContact O-CG 3.16Å; L661-L665 PolarHBondContact O-N 3.04Å
662	L	91.5	Very high	90.9	Very high	4 Å²	4	72.8 Å²	72.8	2%	0.021	39%	0.385	C	S	.	.	H	α-helix	trans	-62.9	-41.3	178.2	-88.1	174.5	0	0	0	112.4	L647 M654 T658 A659 T664 L665 T666 S673 I676 W677 M681	L647-L662 HydrophobicContact CD2-CB 4.28Å; M654-L662 HydrophobicContact CE-CD1 4.46Å; M654-L662 HydrophobicContact SD-CD1 3.9Å; T658-L662 WeakPolarHBondContact O-CB 3.22Å; T658-L662 PolarHBondContact O-N 3.31Å; A659-L662 PolarHBondContact O-N 3.5Å; L662-T664 VanDerWaalsContact C-N 3.34Å; L662-L665 PolarHBondContact O-N 2.59Å; L662-T666 WeakPolarHBondContact O-CB 3.41Å; L662-T666 VanDerWaalsContact O-CG2 3.25Å; L662-T666 WeakPolarHBondContact O-CG2 3.48Å; L662-T666 PolarHBondContact O-N 2.99Å; L662-T666 VanDerWaalsContact O-N 3.13Å; L662-T666 PolarHBondContact O-OG1 3.08Å; L662-S673 PolarHBondContact O-OG 3.49Å; L662-S673 VanDerWaalsContact O-OG 3.11Å; L662-I676 HydrophobicContact CD2-CB 4.03Å; L662-I676 HydrophobicContact CD2-CG2 3.52Å; L662-W677 HydrophobicContact CD1-CB 4.06Å; L662-W677 HydrophobicContact CD1-CE3 3.72Å; L662-M681 HydrophobicContact CD1-CE 4.46Å; L662-M681 HydrophobicContact CD2-CE 4.01Å; L662-M681 HydrophobicContact CG-CE 4.41Å
663	L	92.7	Very high	91	Very high	1 Å²	1	67.7 Å²	67.7	1%	0.005	35%	0.352	C	S	.	.	H	α-helix	trans	-70.1	-33	176.1	-73.6	166.5	0	0	0	111.8	N643 M644 L647 A659 T660 L661 E667 N668	N643-L663 HydrophobicContact CB-CD1 3.95Å; N643-L663 HydrophobicContact CB-CD2 3.83Å; M644-L663 VanDerWaalsContact CA-CD1 3.4Å; M644-L663 HydrophobicContact CB-CD1 3.78Å; M644-L663 VanDerWaalsContact N-CD1 3.29Å; L647-L663 HydrophobicContact CD2-CD1 4.34Å; L647-L663 HydrophobicContact CD2-CD2 4.47Å; L647-L663 HydrophobicContact CD2-CG 4.04Å; A659-L663 WeakPolarHBondContact O-CB 3.43Å; A659-L663 WeakPolarHBondContact O-CG 3.24Å; A659-L663 PolarHBondContact O-N 3.18Å; T660-L663 PolarHBondContact O-N 3.45Å; L661-L663 PolarHBondContact O-N 3.26Å; L663-E667 PolarHBondContact O-N 3.5Å; L663-N668 WeakPolarHBondContact O-CA 3.39Å; L663-N668 PolarHBondContact O-N 2.96Å
664	T	90.2	Very high	91.2	Very high	98 Å²	98	64.3 Å²	64.3	60%	0.601	34%	0.336	S	S	*	.	H	α-helix	trans	-66.7	-44.1	174.3	-56	0	0	0	0	111	T660 L661 L662 T666 E667	T660-T664 WeakPolarHBondContact O-CB 3.19Å; T660-T664 PolarHBondContact O-N 3.36Å; T660-T664 PolarHBondContact O-OG1 2.93Å; L661-T664 PolarHBondContact O-N 2.93Å; L662-T664 VanDerWaalsContact C-N 3.34Å; T664-T666 VanDerWaalsContact C-N 3.3Å; T664-T666 PolarHBondContact O-N 3.41Å; T664-E667 PolarHBondContact O-N 3.38Å
665	L	89	Confident	91.2	Very high	128 Å²	128	66.6 Å²	66.6	67%	0.67	35%	0.346	S	S	*	.	H	α-helix	trans	-67.8	-26.1	179.6	-73.1	171.3	0	0	0	113.7	L661 L662	L661-L665 HydrophobicContact CD1-CD1 4.37Å; L661-L665 HydrophobicContact CD1-CG 4.48Å; L661-L665 HydrophobicContact CG-CD1 4.02Å; L661-L665 WeakPolarHBondContact O-CB 3.43Å; L661-L665 VanDerWaalsContact O-CG 3.3Å; L661-L665 WeakPolarHBondContact O-CG 3.16Å; L661-L665 PolarHBondContact O-N 3.04Å; L662-L665 PolarHBondContact O-N 2.59Å
666	T	90.8	Very high	91	Very high	11 Å²	11	65.4 Å²	65.4	7%	0.067	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	15.3	-178.8	64.5	0	0	0	0	113.3	L662 T664 N668 R669 I672 S673 I676	L662-T666 WeakPolarHBondContact O-CB 3.41Å; L662-T666 VanDerWaalsContact O-CG2 3.25Å; L662-T666 WeakPolarHBondContact O-CG2 3.48Å; L662-T666 PolarHBondContact O-N 2.99Å; L662-T666 VanDerWaalsContact O-N 3.13Å; L662-T666 PolarHBondContact O-OG1 3.08Å; T664-T666 VanDerWaalsContact C-N 3.3Å; T664-T666 PolarHBondContact O-N 3.41Å; T666-N668 VanDerWaalsContact C-N 3.29Å; T666-N668 PolarHBondContact O-N 3.03Å; T666-R669 VanDerWaalsContact O-CB 3.24Å; T666-R669 WeakPolarHBondContact O-CB 3.32Å; T666-R669 VanDerWaalsContact O-CG 3.29Å; T666-R669 WeakPolarHBondContact O-CG 3.38Å; T666-R669 PolarHBondContact O-N 2.99Å; T666-R669 VanDerWaalsContact O-N 3.1Å; T666-R669 PolarHBondContact OG1-O 2.94Å; T666-I672 HydrophobicContact CG2-CB 3.94Å; T666-I672 HydrophobicContact CG2-CG2 3.56Å; T666-S673 PolarHBondContact OG1-OG 2.9Å; T666-I676 HydrophobicContact CG2-CD1 3.61Å
667	E	90.9	Very high	90.8	Very high	152 Å²	152	61.2 Å²	61.2	71%	0.71	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	44.8	-178.1	-57.9	177.6	-179.8	0	0	112.5	L663 T664 R669	L663-E667 PolarHBondContact O-N 3.5Å; T664-E667 PolarHBondContact O-N 3.38Å; E667-R669 PolarHBondContact O-N 2.98Å
668	N	91.3	Very high	90.7	Very high	42 Å²	42	62 Å²	62	23%	0.225	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.1	24.8	-178.4	-164.4	32.2	0	0	0	114	R638 V640 N643 L663 T666 L670	R638-N668 PolarHBondContact O-ND2 3.23Å; V640-N668 HydrophobicContact CG2-CB 4.34Å; N643-N668 PolarHBondContact ND2-ND2 2.97Å; N643-N668 PolarHBondContact ND2-O 3.46Å; N643-N668 PolarHBondContact ND2-OD1 3.29Å; L663-N668 WeakPolarHBondContact O-CA 3.39Å; L663-N668 PolarHBondContact O-N 2.96Å; T666-N668 VanDerWaalsContact C-N 3.29Å; T666-N668 PolarHBondContact O-N 3.03Å; N668-L670 PolarHBondContact O-N 3.44Å
669	R	90.5	Very high	90.4	Very high	155 Å²	155	65.5 Å²	65.5	59%	0.585	32%	0.318	S	S	*	.			trans	-88	96	175.5	-64.2	-176.1	-179.7	-148.7	5.4	111.4	T666 E667 H671 I672 S673	T666-R669 VanDerWaalsContact O-CB 3.24Å; T666-R669 WeakPolarHBondContact O-CB 3.32Å; T666-R669 VanDerWaalsContact O-CG 3.29Å; T666-R669 WeakPolarHBondContact O-CG 3.38Å; T666-R669 PolarHBondContact O-N 2.99Å; T666-R669 VanDerWaalsContact O-N 3.1Å; T666-R669 PolarHBondContact OG1-O 2.94Å; E667-R669 PolarHBondContact O-N 2.98Å; R669-H671 VanDerWaalsContact C-N 3.34Å; R669-H671 PolarHBondContact O-N 2.92Å; R669-I672 HydrophobicContact CB-CB 4.26Å; R669-I672 HydrophobicContact CB-CD1 3.97Å; R669-I672 HydrophobicContact CB-CG1 4Å; R669-I672 HydrophobicContact CG-CD1 4.4Å; R669-I672 PolarHBondContact O-N 3.28Å; R669-S673 PolarHBondContact O-N 2.84Å; R669-S673 VanDerWaalsContact O-N 3.09Å; R669-S673 PolarHBondContact O-OG 2.66Å
670	L	90.5	Very high	90	Very high	28 Å²	28	73.1 Å²	73.1	15%	0.147	35%	0.352	C	S	.	.	H	α-helix	trans	-49.2	-46.7	-178.4	-179.1	69.4	0	0	0	114.1	N643 E646 L647 N668 I672 S673 H674	N643-L670 HydrophobicContact CB-CB 4.5Å; N643-L670 HydrophobicContact CB-CD1 4.37Å; N643-L670 WeakPolarHBondContact O-CD1 3.28Å; E646-L670 HydrophobicContact CB-CD1 4.34Å; E646-L670 HydrophobicContact CB-CD2 4.19Å; E646-L670 HydrophobicContact CG-CD2 3.73Å; E646-L670 VanDerWaalsContact OE2-CD2 3.22Å; E646-L670 WeakPolarHBondContact OE2-CD2 3.39Å; L647-L670 HydrophobicContact CB-CD1 3.71Å; L647-L670 HydrophobicContact CD1-CD1 4.11Å; L647-L670 HydrophobicContact CG-CD1 4.44Å; N668-L670 PolarHBondContact O-N 3.44Å; L670-I672 VanDerWaalsContact C-N 3.33Å; L670-I672 PolarHBondContact O-N 2.73Å; L670-S673 PolarHBondContact O-N 2.95Å; L670-H674 WeakPolarHBondContact O-CB 3.44Å; L670-H674 PolarHBondContact O-N 3.21Å
671	H	91.1	Very high	89.4	Confident	140 Å²	140	73.8 Å²	73.8	65%	0.648	35%	0.352	S	S	*	.	H	α-helix	trans	-60.1	-41.3	-179.7	175	-82	0	0	0	112.2	R669 H674 E675	R669-H671 VanDerWaalsContact C-N 3.34Å; R669-H671 PolarHBondContact O-N 2.92Å; H671-H674 PolarHBondContact O-N 3.34Å; H671-E675 WeakPolarHBondContact O-CG 3.49Å; H671-E675 PolarHBondContact O-N 3.35Å
672	I	91.2	Very high	88.1	Confident	70 Å²	70	74.1 Å²	74.1	36%	0.359	36%	0.36	S	S	.	.	H	α-helix	trans	-69.4	-43.1	178.6	-55	-176	0	0	0	109.6	T666 R669 L670 H674 E675 I676	T666-I672 HydrophobicContact CG2-CB 3.94Å; T666-I672 HydrophobicContact CG2-CG2 3.56Å; R669-I672 HydrophobicContact CB-CB 4.26Å; R669-I672 HydrophobicContact CB-CD1 3.97Å; R669-I672 HydrophobicContact CB-CG1 4Å; R669-I672 HydrophobicContact CG-CD1 4.4Å; R669-I672 PolarHBondContact O-N 3.28Å; L670-I672 VanDerWaalsContact C-N 3.33Å; L670-I672 PolarHBondContact O-N 2.73Å; I672-H674 VanDerWaalsContact C-N 3.31Å; I672-H674 PolarHBondContact O-N 2.96Å; I672-E675 PolarHBondContact O-N 3.07Å; I672-I676 HydrophobicContact CG2-CD1 3.83Å; I672-I676 HydrophobicContact CG2-CG1 4.28Å; I672-I676 WeakPolarHBondContact O-CB 3.26Å; I672-I676 VanDerWaalsContact O-CG1 3.28Å; I672-I676 WeakPolarHBondContact O-CG1 3.19Å; I672-I676 PolarHBondContact O-N 3.42Å
673	S	90.4	Very high	86.7	Confident	0 Å²	0	84 Å²	84	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-60.9	-40.2	176.1	-59.3	0	0	0	0	112.1	L662 T666 R669 L670 W677	L662-S673 PolarHBondContact O-OG 3.49Å; L662-S673 VanDerWaalsContact O-OG 3.11Å; T666-S673 PolarHBondContact OG1-OG 2.9Å; R669-S673 PolarHBondContact O-N 2.84Å; R669-S673 VanDerWaalsContact O-N 3.09Å; R669-S673 PolarHBondContact O-OG 2.66Å; L670-S673 PolarHBondContact O-N 2.95Å; S673-W677 PolarHBondContact O-N 3.15Å
674	H	92.2	Very high	84.7	Confident	43 Å²	43	93.9 Å²	93.9	20%	0.199	46%	0.457	C	S	.	.	H	α-helix	trans	-61.6	-49.2	175.5	175.7	78.8	0	0	0	111.8	L647 H651 L670 H671 I672 W677 K678	L647-H674 HydrophobicContact CD1-CB 4.2Å; H651-H674 AromaticContact CD2-ND1 3.78Å; H651-H674 AromaticContact CE1-CE1 3.54Å; H651-H674 AromaticContact CE1-ND1 3.63Å; H651-H674 AromaticContact NE2-CE1 3.33Å; H651-H674 PolarHBondContact NE2-CE1 3.28Å; H651-H674 VanDerWaalsContact NE2-CE1 3.33Å; H651-H674 AromaticContact NE2-CG 3.81Å; H651-H674 AromaticContact NE2-ND1 2.93Å; H651-H674 PolarHBondContact NE2-ND1 3.29Å; L670-H674 WeakPolarHBondContact O-CB 3.44Å; L670-H674 PolarHBondContact O-N 3.21Å; H671-H674 PolarHBondContact O-N 3.34Å; I672-H674 VanDerWaalsContact C-N 3.31Å; I672-H674 PolarHBondContact O-N 2.96Å; H674-W677 PolarHBondContact O-N 3.32Å; H674-K678 VanDerWaalsContact O-CB 3.24Å; H674-K678 WeakPolarHBondContact O-CB 3.5Å; H674-K678 PolarHBondContact O-N 3.5Å
675	E	91.1	Very high	84.4	Confident	54 Å²	54	93.7 Å²	93.7	25%	0.252	45%	0.45	S	S	.	.	H	α-helix	trans	-68.5	-36.1	-179.4	-72	-63.8	122.9	0	0	112.3	H671 I672 K678 H679	H671-E675 WeakPolarHBondContact O-CG 3.49Å; H671-E675 PolarHBondContact O-N 3.35Å; I672-E675 PolarHBondContact O-N 3.07Å; E675-K678 PolarHBondContact O-N 2.95Å; E675-K678 IonicContact OE1-NZ 3.72Å; E675-K678 PolarHBondContact OE1-NZ 3.37Å; E675-K678 IonicContact OE2-NZ 2.9Å; E675-H679 WeakPolarHBondContact O-CB 3.41Å; E675-H679 PolarHBondContact O-CD2 3.23Å; E675-H679 PolarHBondContact O-N 2.93Å; E675-H679 VanDerWaalsContact O-N 3.08Å; E675-H679 IonicContact OE2-CD2 2.97Å; E675-H679 PolarHBondContact OE2-CD2 3.29Å; E675-H679 VanDerWaalsContact OE2-CD2 3.23Å; E675-H679 IonicContact OE2-NE2 3.15Å; E675-H679 PolarHBondContact OE2-NE2 3.27Å
676	I	88.5	Confident	84.2	Confident	52 Å²	52	91.9 Å²	91.9	27%	0.267	44%	0.438	S	S	.	.	H	α-helix	trans	-62.1	-48.9	173.1	-68.8	172.1	0	0	0	110.5	L662 T666 I672 K678 H679 F680 M681	L662-I676 HydrophobicContact CD2-CB 4.03Å; L662-I676 HydrophobicContact CD2-CG2 3.52Å; T666-I676 HydrophobicContact CG2-CD1 3.61Å; I672-I676 HydrophobicContact CG2-CD1 3.83Å; I672-I676 HydrophobicContact CG2-CG1 4.28Å; I672-I676 WeakPolarHBondContact O-CB 3.26Å; I672-I676 VanDerWaalsContact O-CG1 3.28Å; I672-I676 WeakPolarHBondContact O-CG1 3.19Å; I672-I676 PolarHBondContact O-N 3.42Å; I676-K678 PolarHBondContact O-N 3.33Å; I676-H679 PolarHBondContact O-N 3.26Å; I676-F680 WeakPolarHBondContact O-CB 3.16Å; I676-F680 PolarHBondContact O-N 3.09Å; I676-M681 HydrophobicContact CG2-CE 4.25Å
677	W	88.2	Confident	83.8	Confident	37 Å²	37	96.4 Å²	96.4	14%	0.14	46%	0.459	C	S	.	.	H	α-helix	trans	-59.5	-49.5	178.1	-176.8	-90.1	0	0	0	111.5	H651 E653 M654 T658 L662 S673 H674 H679 M681	H651-W677 HydrophobicContact CB-CG 4.37Å; H651-W677 AromaticContact CD2-CD1 3.37Å; H651-W677 AromaticContact CD2-CG 3.79Å; H651-W677 AromaticContact CE1-CD1 3.54Å; H651-W677 AromaticContact CG-CD1 3.17Å; H651-W677 AromaticContact CG-CG 3.97Å; H651-W677 AromaticContact CG-NE1 3.53Å; H651-W677 AromaticContact ND1-CD1 3.3Å; H651-W677 VanDerWaalsContact ND1-CD1 3.3Å; H651-W677 AromaticContact ND1-NE1 3.72Å; H651-W677 AromaticContact NE2-CD1 3.56Å; E653-W677 HydrophobicContact CG-CZ2 3.58Å; E653-W677 PolarHBondContact OE1-NE1 3.19Å; M654-W677 HydrophobicContact CB-CD2 4.38Å; M654-W677 HydrophobicContact CB-CE3 4.36Å; M654-W677 HydrophobicContact CB-CH2 4Å; M654-W677 HydrophobicContact CB-CZ2 3.97Å; M654-W677 HydrophobicContact CB-CZ3 4.2Å; M654-W677 HydrophobicContact CE-CB 4.03Å; M654-W677 HydrophobicContact CE-CD2 3.52Å; M654-W677 HydrophobicContact CE-CE3 3.8Å; M654-W677 HydrophobicContact CE-CG 3.6Å; M654-W677 HydrophobicContact CG-CD2 4.25Å; M654-W677 HydrophobicContact CG-CE3 3.8Å; M654-W677 HydrophobicContact CG-CH2 3.96Å; M654-W677 HydrophobicContact CG-CZ2 4.35Å; M654-W677 HydrophobicContact CG-CZ3 3.68Å; M654-W677 HydrophobicContact SD-CD2 4.21Å; M654-W677 HydrophobicContact SD-CE3 3.86Å; M654-W677 HydrophobicContact SD-CZ3 4.31Å; T658-W677 HydrophobicContact CG2-CE3 4.22Å; T658-W677 HydrophobicContact CG2-CZ3 3.56Å; L662-W677 HydrophobicContact CD1-CB 4.06Å; L662-W677 HydrophobicContact CD1-CE3 3.72Å; S673-W677 PolarHBondContact O-N 3.15Å; H674-W677 PolarHBondContact O-N 3.32Å; W677-H679 VanDerWaalsContact C-N 3.32Å; W677-H679 PolarHBondContact O-N 2.98Å; W677-M681 HydrophobicContact CD2-CB 4.1Å; W677-M681 HydrophobicContact CD2-CG 3.98Å; W677-M681 HydrophobicContact CE3-CB 3.98Å; W677-M681 HydrophobicContact CE3-CG 3.51Å; W677-M681 HydrophobicContact CE3-SD 4.43Å; W677-M681 HydrophobicContact CG-CG 4.45Å; W677-M681 HydrophobicContact CZ3-CB 4.18Å; W677-M681 HydrophobicContact CZ3-CG 3.89Å; W677-M681 HydrophobicContact CZ3-SD 4.39Å; W677-M681 WeakPolarHBondContact O-CB 3.48Å; W677-M681 PolarHBondContact O-N 3.36Å
678	K	87	Confident	83.4	Confident	89 Å²	89	93.1 Å²	93.1	39%	0.387	44%	0.444	S	S	.	.	H	α-helix	trans	-60.4	-36.2	-176.5	179.2	-179.3	164.6	-159.8	0	113.7	H674 E675 I676	H674-K678 VanDerWaalsContact O-CB 3.24Å; H674-K678 WeakPolarHBondContact O-CB 3.5Å; H674-K678 PolarHBondContact O-N 3.5Å; E675-K678 PolarHBondContact O-N 2.95Å; E675-K678 IonicContact OE1-NZ 3.72Å; E675-K678 PolarHBondContact OE1-NZ 3.37Å; E675-K678 IonicContact OE2-NZ 2.9Å; I676-K678 PolarHBondContact O-N 3.33Å
679	H	86	Confident	82.9	Confident	115 Å²	115	96.3 Å²	96.3	53%	0.532	46%	0.458	S	S	.	.	H	α-helix	trans	-107.2	-23.2	-171.4	-72.5	-66.2	0	0	0	115.5	E675 I676 W677	E675-H679 WeakPolarHBondContact O-CB 3.41Å; E675-H679 PolarHBondContact O-CD2 3.23Å; E675-H679 PolarHBondContact O-N 2.93Å; E675-H679 VanDerWaalsContact O-N 3.08Å; E675-H679 IonicContact OE2-CD2 2.97Å; E675-H679 PolarHBondContact OE2-CD2 3.29Å; E675-H679 VanDerWaalsContact OE2-CD2 3.23Å; E675-H679 IonicContact OE2-NE2 3.15Å; E675-H679 PolarHBondContact OE2-NE2 3.27Å; I676-H679 PolarHBondContact O-N 3.26Å; W677-H679 VanDerWaalsContact C-N 3.32Å; W677-H679 PolarHBondContact O-N 2.98Å
680	F	83.2	Confident	82.4	Confident	160 Å²	160	92.4 Å²	92.4	70%	0.702	45%	0.45	S	S	*	.	H	α-helix	trans	-122.3	-15.2	-169.4	-61.5	-89.9	0	0	0	114.6	I676	I676-F680 WeakPolarHBondContact O-CB 3.16Å; I676-F680 PolarHBondContact O-N 3.09Å
681	M	79.1	Confident	81.8	Confident	68 Å²	68	97 Å²	97	34%	0.335	47%	0.471	S	S	.	.	S	Bend	trans	-83.8	125.8	179.2	-66.2	-68.6	169.8	0	0	110.3	L662 I676 W677 R683	L662-M681 HydrophobicContact CD1-CE 4.46Å; L662-M681 HydrophobicContact CD2-CE 4.01Å; L662-M681 HydrophobicContact CG-CE 4.41Å; I676-M681 HydrophobicContact CG2-CE 4.25Å; W677-M681 HydrophobicContact CD2-CB 4.1Å; W677-M681 HydrophobicContact CD2-CG 3.98Å; W677-M681 HydrophobicContact CE3-CB 3.98Å; W677-M681 HydrophobicContact CE3-CG 3.51Å; W677-M681 HydrophobicContact CE3-SD 4.43Å; W677-M681 HydrophobicContact CG-CG 4.45Å; W677-M681 HydrophobicContact CZ3-CB 4.18Å; W677-M681 HydrophobicContact CZ3-CG 3.89Å; W677-M681 HydrophobicContact CZ3-SD 4.39Å; W677-M681 WeakPolarHBondContact O-CB 3.48Å; W677-M681 PolarHBondContact O-N 3.36Å; M681-R683 PolarHBondContact O-N 3.02Å
682	P	64.2	Low	81.1	Confident	110 Å²	110	93.7 Å²	93.7	71%	0.714	46%	0.458	S	S	*	.			trans	-62.2	125.7	176.4	23.2	-29.5	0	0	0	109.3	V684	P682-V684 PolarHBondContact O-N 3.23Å
683	R	61.7	Low	80.2	Confident	212 Å²	212	95.7 Å²	95.7	80%	0.8	47%	0.466	S	S	*	.			trans	-77.8	109.4	170.9	-61.9	-176	-176.1	-175.3	-0.2	107.2	M681	M681-R683 PolarHBondContact O-N 3.02Å
684	V	50.9	Low	79.3	Confident	208 Å²	208	104.4 Å²	104.4	100%	1.261	51%	0.508	S	S	*	.			trans	-79.4	0	172.2	-169.6	0	0	0	0	109.4	P682	P682-V684 PolarHBondContact O-N 3.23Å

Retrieved 684 of 684 residues in 204.1 ms (Link to these results)

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