A0A3Q0KQ93_SCHMA Loading...

PRESAN domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KQ93, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 252 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	39.9	Very low	35.8	Very low	246 Å²	246	120 Å²	120	100%	1.212	60%	0.604	S	S	*	*				0	47.2	0	-160.1	175	157	0	0	112.4
2	L	32.8	Very low	36.1	Very low	132 Å²	132	119.8 Å²	119.8	69%	0.691	59%	0.592	S	S	*	*			trans	-132.8	-18.6	175.8	-96.8	157.6	0	0	0	112.8	N4 S5	L2-N4 PolarHBondContact O-N 3.38Å; L2-S5 PolarHBondContact O-N 3.01Å; L2-S5 PolarHBondContact O-OG 3.36Å; L2-S5 VanDerWaalsContact O-OG 3.08Å
3	I	37.2	Very low	36.6	Very low	131 Å²	131	116.8 Å²	116.8	67%	0.672	57%	0.571	S	S	*	*	H	α-helix	trans	-68	-35.9	-174.6	-64.2	168.2	0	0	0	112	S5 L6 V7	I3-S5 VanDerWaalsContact C-N 3.34Å; I3-S5 PolarHBondContact O-N 3.13Å; I3-L6 PolarHBondContact O-N 3.21Å; I3-V7 HydrophobicContact CG2-CG2 4.29Å; I3-V7 WeakPolarHBondContact O-CG2 3.18Å; I3-V7 PolarHBondContact O-N 3.34Å; I3-V7 VanDerWaalsContact O-N 3.15Å
4	N	36.8	Very low	37.2	Very low	135 Å²	135	115 Å²	115	72%	0.722	56%	0.556	S	S	*	*	H	α-helix	trans	-66.2	-30.7	179.9	-83.2	2.6	0	0	0	114	L2 N8	L2-N4 PolarHBondContact O-N 3.38Å; N4-N8 WeakPolarHBondContact O-CB 3.39Å; N4-N8 PolarHBondContact O-N 3.01Å
5	S	30.9	Very low	37.6	Very low	72 Å²	72	111.1 Å²	111.1	50%	0.503	53%	0.533	S	S	.	.	H	α-helix	trans	-71.2	-35.2	177.9	76.9	0	0	0	0	112.1	L2 I3 Y9	L2-S5 PolarHBondContact O-N 3.01Å; L2-S5 PolarHBondContact O-OG 3.36Å; L2-S5 VanDerWaalsContact O-OG 3.08Å; I3-S5 VanDerWaalsContact C-N 3.34Å; I3-S5 PolarHBondContact O-N 3.13Å; S5-Y9 VanDerWaalsContact O-CB 3.31Å; S5-Y9 WeakPolarHBondContact O-CB 3.48Å; S5-Y9 PolarHBondContact O-N 3.29Å
6	L	32.2	Very low	38	Very low	83 Å²	83	112.8 Å²	112.8	44%	0.435	53%	0.534	S	S	.	.	H	α-helix	trans	-73.1	-40.2	179.4	-93.1	148.4	0	0	0	112	I3 Y9 Q10	I3-L6 PolarHBondContact O-N 3.21Å; L6-Y9 PolarHBondContact O-N 3.26Å; L6-Q10 WeakPolarHBondContact O-CB 3.19Å; L6-Q10 VanDerWaalsContact O-CG 3.31Å; L6-Q10 WeakPolarHBondContact O-CG 3.35Å; L6-Q10 PolarHBondContact O-N 3.08Å
7	V	35.1	Very low	38.4	Very low	76 Å²	76	110.4 Å²	110.4	46%	0.461	52%	0.519	S	S	.	.	H	α-helix	trans	-65.9	-43.6	177	177.3	0	0	0	0	110.7	I3 Y9 Q10 Y11	I3-V7 HydrophobicContact CG2-CG2 4.29Å; I3-V7 WeakPolarHBondContact O-CG2 3.18Å; I3-V7 PolarHBondContact O-N 3.34Å; I3-V7 VanDerWaalsContact O-N 3.15Å; V7-Y9 PolarHBondContact O-N 2.87Å; V7-Q10 PolarHBondContact O-N 2.92Å; V7-Y11 WeakPolarHBondContact O-CB 3.44Å; V7-Y11 PolarHBondContact O-N 3.16Å
8	N	36	Very low	38.8	Very low	94 Å²	94	106.7 Å²	106.7	50%	0.503	50%	0.5	S	S	.	.	H	α-helix	trans	-66.8	-36.6	176.5	-82.5	-9.7	0	0	0	112.9	N4 Y11 Y12	N4-N8 WeakPolarHBondContact O-CB 3.39Å; N4-N8 PolarHBondContact O-N 3.01Å; N8-Y11 PolarHBondContact O-N 3.38Å; N8-Y12 WeakPolarHBondContact O-CB 3.11Å; N8-Y12 PolarHBondContact O-N 2.98Å
9	Y	36.9	Very low	39.2	Very low	164 Å²	164	105.7 Å²	105.7	64%	0.643	49%	0.492	S	S	*	.	H	α-helix	trans	-71.2	-39.2	177.9	-160.2	-92.8	0	0	0	112.2	S5 L6 V7 Y11 Y12 Y13	S5-Y9 VanDerWaalsContact O-CB 3.31Å; S5-Y9 WeakPolarHBondContact O-CB 3.48Å; S5-Y9 PolarHBondContact O-N 3.29Å; L6-Y9 PolarHBondContact O-N 3.26Å; V7-Y9 PolarHBondContact O-N 2.87Å; Y9-Y11 VanDerWaalsContact C-N 3.33Å; Y9-Y12 PolarHBondContact O-N 3.04Å; Y9-Y13 WeakPolarHBondContact O-CB 3.29Å; Y9-Y13 PolarHBondContact O-N 3.43Å
10	Q	37.9	Very low	39.5	Very low	89 Å²	89	102.1 Å²	102.1	42%	0.416	48%	0.477	S	S	.	.	H	α-helix	trans	-62.6	-42	172.5	-76.6	179.1	-8.7	0	0	111.3	L6 V7 Y13 Y14	L6-Q10 WeakPolarHBondContact O-CB 3.19Å; L6-Q10 VanDerWaalsContact O-CG 3.31Å; L6-Q10 WeakPolarHBondContact O-CG 3.35Å; L6-Q10 PolarHBondContact O-N 3.08Å; V7-Q10 PolarHBondContact O-N 2.92Å; Q10-Y13 PolarHBondContact O-N 3.43Å; Q10-Y14 WeakPolarHBondContact O-CB 3.35Å; Q10-Y14 WeakPolarHBondContact O-CD2 3.27Å; Q10-Y14 PolarHBondContact O-N 3.15Å
11	Y	38.2	Very low	40	Very low	98 Å²	98	98.2 Å²	98.2	38%	0.384	46%	0.46	S	S	.	.	H	α-helix	trans	-62.8	-46.3	176.8	-163.8	-90.8	0	0	0	111.8	V7 N8 Y9 Y13 Y14 Y15 L158	V7-Y11 WeakPolarHBondContact O-CB 3.44Å; V7-Y11 PolarHBondContact O-N 3.16Å; N8-Y11 PolarHBondContact O-N 3.38Å; Y9-Y11 VanDerWaalsContact C-N 3.33Å; Y11-Y13 VanDerWaalsContact C-N 3.32Å; Y11-Y13 PolarHBondContact O-N 3.46Å; Y11-Y14 PolarHBondContact O-N 2.97Å; Y11-Y15 VanDerWaalsContact O-CB 3.27Å; Y11-Y15 WeakPolarHBondContact O-CB 3.23Å; Y11-Y15 PolarHBondContact O-N 3.22Å; Y11-L158 HydrophobicContact CE1-CD1 4.14Å
12	Y	39.1	Very low	40.3	Very low	117 Å²	117	89.2 Å²	89.2	46%	0.459	42%	0.416	S	S	.	.	H	α-helix	trans	-61	-41.3	176.5	-166.9	-90.1	0	0	0	112	N8 Y9 Y15 Y16 L158	N8-Y12 WeakPolarHBondContact O-CB 3.11Å; N8-Y12 PolarHBondContact O-N 2.98Å; Y9-Y12 PolarHBondContact O-N 3.04Å; Y12-Y15 PolarHBondContact O-N 3.47Å; Y12-Y16 WeakPolarHBondContact O-CB 3.42Å; Y12-Y16 PolarHBondContact O-N 2.98Å; Y12-L158 HydrophobicContact CD2-CD2 4.44Å
13	Y	42.7	Very low	40.9	Very low	81 Å²	81	84.9 Å²	84.9	32%	0.318	39%	0.393	S	S	.	.	H	α-helix	trans	-69.1	-43.5	178.4	-170.3	-88.4	0	0	0	112.4	Y9 Q10 Y11 Y15 Y16 Y17 V193	Y9-Y13 WeakPolarHBondContact O-CB 3.29Å; Y9-Y13 PolarHBondContact O-N 3.43Å; Q10-Y13 PolarHBondContact O-N 3.43Å; Y11-Y13 VanDerWaalsContact C-N 3.32Å; Y11-Y13 PolarHBondContact O-N 3.46Å; Y13-Y15 VanDerWaalsContact C-N 3.31Å; Y13-Y15 PolarHBondContact O-N 3.05Å; Y13-Y16 PolarHBondContact O-N 3.36Å; Y13-Y17 VanDerWaalsContact O-CB 3.27Å; Y13-Y17 WeakPolarHBondContact O-CB 2.93Å; Y13-Y17 PolarHBondContact O-N 3.21Å; Y13-V193 HydrophobicContact CE1-CG2 3.99Å
14	Y	45.5	Very low	41.5	Very low	92 Å²	92	81.6 Å²	81.6	36%	0.361	37%	0.373	S	S	.	.	H	α-helix	trans	-60.7	-43.3	173.9	-96.7	-74.3	0	0	0	111.1	Q10 Y11 Y17 Y18 Y242	Q10-Y14 WeakPolarHBondContact O-CB 3.35Å; Q10-Y14 WeakPolarHBondContact O-CD2 3.27Å; Q10-Y14 PolarHBondContact O-N 3.15Å; Y11-Y14 PolarHBondContact O-N 2.97Å; Y14-Y17 PolarHBondContact O-N 3.49Å; Y14-Y18 HydrophobicContact CD1-CD2 4.11Å; Y14-Y18 AromaticContact CD1-CE2 3.54Å; Y14-Y18 HydrophobicContact CD1-CE2 3.54Å; Y14-Y18 HydrophobicContact CE1-CE2 4.17Å; Y14-Y18 WeakPolarHBondContact O-CD2 3.15Å; Y14-Y18 PolarHBondContact O-N 3.47Å; Y14-Y242 HydrophobicContact CD1-CD2 4.41Å; Y14-Y242 AromaticContact CD1-CE2 3.82Å; Y14-Y242 HydrophobicContact CD1-CE2 3.82Å; Y14-Y242 HydrophobicContact CD2-CE2 4.4Å; Y14-Y242 HydrophobicContact CE1-CD2 4.38Å; Y14-Y242 HydrophobicContact CE1-CE2 4.13Å; Y14-Y242 AromaticContact CG-CE2 3.94Å; Y14-Y242 HydrophobicContact CG-CE2 3.94Å
15	Y	43.4	Very low	41.9	Very low	56 Å²	56	75.8 Å²	75.8	22%	0.22	34%	0.343	C	S	.	.	H	α-helix	trans	-58.9	-48.8	175.5	-173.2	-89.9	0	0	0	111.3	Y11 Y12 Y13 Y17 Y18 Y19 L151 A155	Y11-Y15 VanDerWaalsContact O-CB 3.27Å; Y11-Y15 WeakPolarHBondContact O-CB 3.23Å; Y11-Y15 PolarHBondContact O-N 3.22Å; Y12-Y15 PolarHBondContact O-N 3.47Å; Y13-Y15 VanDerWaalsContact C-N 3.31Å; Y13-Y15 PolarHBondContact O-N 3.05Å; Y15-Y17 PolarHBondContact O-N 3.03Å; Y15-Y18 PolarHBondContact O-N 3.33Å; Y15-Y19 WeakPolarHBondContact O-CB 3.4Å; Y15-Y19 PolarHBondContact O-N 3.03Å; Y15-L151 PolarHBondContact OH-O 3.06Å; Y15-L151 VanDerWaalsContact OH-O 3.08Å; Y15-A155 HydrophobicContact CE1-CB 4.33Å
16	Y	43	Very low	42.6	Very low	138 Å²	138	74 Å²	74	54%	0.541	33%	0.33	S	S	.	.	H	α-helix	trans	-64.5	-38.3	178.3	-166.1	-92.1	0	0	0	112.9	Y12 Y13 Y19 T20	Y12-Y16 WeakPolarHBondContact O-CB 3.42Å; Y12-Y16 PolarHBondContact O-N 2.98Å; Y13-Y16 PolarHBondContact O-N 3.36Å; Y16-Y19 PolarHBondContact O-N 2.84Å; Y16-T20 HydrophobicContact CD1-CG2 4.21Å; Y16-T20 HydrophobicContact CE1-CG2 3.82Å; Y16-T20 PolarHBondContact O-N 2.88Å; Y16-T20 PolarHBondContact O-OG1 3.25Å
17	Y	45.8	Very low	43.4	Very low	72 Å²	72	76.2 Å²	76.2	28%	0.282	34%	0.336	S	S	.	.	H	α-helix	trans	-67	-46.4	177.6	-177.3	-101.5	0	0	0	112	Y13 Y14 Y15 Y19 T20 I21 V218	Y13-Y17 VanDerWaalsContact O-CB 3.27Å; Y13-Y17 WeakPolarHBondContact O-CB 2.93Å; Y13-Y17 PolarHBondContact O-N 3.21Å; Y14-Y17 PolarHBondContact O-N 3.49Å; Y15-Y17 PolarHBondContact O-N 3.03Å; Y17-Y19 VanDerWaalsContact C-N 3.35Å; Y17-T20 WeakPolarHBondContact CA-OG1 3.32Å; Y17-T20 PolarHBondContact O-OG1 2.86Å; Y17-I21 HydrophobicContact CD1-CD1 3.66Å; Y17-I21 HydrophobicContact CE1-CD1 3.26Å; Y17-I21 HydrophobicContact CE1-CG1 4.43Å; Y17-I21 HydrophobicContact CE2-CD1 4.4Å; Y17-I21 HydrophobicContact CG-CD1 4.39Å; Y17-I21 VanDerWaalsContact O-CG1 3.29Å; Y17-I21 WeakPolarHBondContact O-CG1 3.29Å; Y17-I21 PolarHBondContact O-N 3.11Å; Y17-V218 HydrophobicContact CE2-CG1 4.27Å; Y17-V218 HydrophobicContact CE2-CG2 3.78Å
18	Y	46.1	Very low	44.1	Very low	44 Å²	44	75.3 Å²	75.3	17%	0.173	33%	0.326	C	S	.	.	H	α-helix	trans	-67.1	-37.7	174.8	-78.4	-65.6	0	0	0	111.6	Y14 Y15 I21 I22 M239 Y242	Y14-Y18 HydrophobicContact CD1-CD2 4.11Å; Y14-Y18 AromaticContact CD1-CE2 3.54Å; Y14-Y18 HydrophobicContact CD1-CE2 3.54Å; Y14-Y18 HydrophobicContact CE1-CE2 4.17Å; Y14-Y18 WeakPolarHBondContact O-CD2 3.15Å; Y14-Y18 PolarHBondContact O-N 3.47Å; Y15-Y18 PolarHBondContact O-N 3.33Å; Y18-I21 PolarHBondContact O-N 2.96Å; Y18-I22 VanDerWaalsContact O-CG1 3.24Å; Y18-I22 WeakPolarHBondContact O-CG1 3.25Å; Y18-I22 PolarHBondContact O-N 2.93Å; Y18-M239 HydrophobicContact CE1-CG 4.21Å; Y18-Y242 HydrophobicContact CE2-CD2 4.31Å; Y18-Y242 HydrophobicContact CE2-CE2 4.31Å; Y18-Y242 HydrophobicContact CE2-CG 4.45Å
19	Y	45.1	Very low	44.8	Very low	89 Å²	89	74.6 Å²	74.6	35%	0.349	32%	0.319	S	S	.	.	H	α-helix	trans	-60.4	-47.1	176	-178.9	-102.2	0	0	0	112.2	Y15 Y16 Y17 I22 I23	Y15-Y19 WeakPolarHBondContact O-CB 3.4Å; Y15-Y19 PolarHBondContact O-N 3.03Å; Y16-Y19 PolarHBondContact O-N 2.84Å; Y17-Y19 VanDerWaalsContact C-N 3.35Å; Y19-I22 PolarHBondContact O-N 3.15Å; Y19-I23 HydrophobicContact CD1-CD1 3.73Å; Y19-I23 HydrophobicContact CD2-CD1 4.49Å; Y19-I23 HydrophobicContact CE1-CD1 3.17Å; Y19-I23 HydrophobicContact CE1-CG1 4.36Å; Y19-I23 HydrophobicContact CE2-CD1 4.02Å; Y19-I23 HydrophobicContact CG-CD1 4.36Å; Y19-I23 WeakPolarHBondContact O-CG1 3.32Å; Y19-I23 PolarHBondContact O-N 2.68Å
20	T	46.6	Very low	45.3	Very low	33 Å²	33	72.7 Å²	72.7	20%	0.202	31%	0.314	C	S	.	.	H	α-helix	trans	-63.4	-42.7	175.7	39.9	0	0	0	0	111.4	Y16 Y17 I22 I23 Y24	Y16-T20 HydrophobicContact CD1-CG2 4.21Å; Y16-T20 HydrophobicContact CE1-CG2 3.82Å; Y16-T20 PolarHBondContact O-N 2.88Å; Y16-T20 PolarHBondContact O-OG1 3.25Å; Y17-T20 WeakPolarHBondContact CA-OG1 3.32Å; Y17-T20 PolarHBondContact O-OG1 2.86Å; T20-I22 VanDerWaalsContact C-N 3.34Å; T20-I22 PolarHBondContact O-N 2.79Å; T20-I23 PolarHBondContact O-N 2.76Å; T20-Y24 WeakPolarHBondContact O-CB 3.36Å; T20-Y24 WeakPolarHBondContact O-CD2 3.09Å; T20-Y24 PolarHBondContact O-N 2.73Å
21	I	48.5	Very low	45.9	Very low	21 Å²	21	74.9 Å²	74.9	11%	0.108	32%	0.319	C	S	.	.	H	α-helix	trans	-57.4	-45.5	174	-70.6	167.2	0	0	0	111.4	Y17 Y18 Y24 A25 I222	Y17-I21 HydrophobicContact CD1-CD1 3.66Å; Y17-I21 HydrophobicContact CE1-CD1 3.26Å; Y17-I21 HydrophobicContact CE1-CG1 4.43Å; Y17-I21 HydrophobicContact CE2-CD1 4.4Å; Y17-I21 HydrophobicContact CG-CD1 4.39Å; Y17-I21 VanDerWaalsContact O-CG1 3.29Å; Y17-I21 WeakPolarHBondContact O-CG1 3.29Å; Y17-I21 PolarHBondContact O-N 3.11Å; Y18-I21 PolarHBondContact O-N 2.96Å; I21-Y24 PolarHBondContact O-N 2.84Å; I21-A25 WeakPolarHBondContact O-CB 3.29Å; I21-A25 PolarHBondContact O-N 3.33Å; I21-I222 HydrophobicContact CB-CD1 4.49Å; I21-I222 HydrophobicContact CG1-CD1 3.96Å; I21-I222 HydrophobicContact CG1-CG1 4.48Å
22	I	46.8	Very low	46.5	Very low	57 Å²	57	73.3 Å²	73.3	29%	0.292	32%	0.317	S	S	.	.	H	α-helix	trans	-65.4	-43.8	-179.1	-68.5	164.8	0	0	0	110.9	Y18 Y19 T20 A25 T26	Y18-I22 VanDerWaalsContact O-CG1 3.24Å; Y18-I22 WeakPolarHBondContact O-CG1 3.25Å; Y18-I22 PolarHBondContact O-N 2.93Å; Y19-I22 PolarHBondContact O-N 3.15Å; T20-I22 VanDerWaalsContact C-N 3.34Å; T20-I22 PolarHBondContact O-N 2.79Å; I22-A25 PolarHBondContact O-N 3.45Å; I22-T26 WeakPolarHBondContact O-CB 3.33Å; I22-T26 VanDerWaalsContact O-CG2 3.29Å; I22-T26 WeakPolarHBondContact O-CG2 3.24Å; I22-T26 PolarHBondContact O-N 2.88Å; I22-T26 PolarHBondContact O-OG1 3.11Å
23	I	45.9	Very low	47	Very low	41 Å²	41	70.2 Å²	70.2	21%	0.21	31%	0.308	C	S	.	.	H	α-helix	trans	-63.8	-42.6	176.2	-71	178.1	0	0	0	111.3	Y19 T20 T26 K27	Y19-I23 HydrophobicContact CD1-CD1 3.73Å; Y19-I23 HydrophobicContact CD2-CD1 4.49Å; Y19-I23 HydrophobicContact CE1-CD1 3.17Å; Y19-I23 HydrophobicContact CE1-CG1 4.36Å; Y19-I23 HydrophobicContact CE2-CD1 4.02Å; Y19-I23 HydrophobicContact CG-CD1 4.36Å; Y19-I23 WeakPolarHBondContact O-CG1 3.32Å; Y19-I23 PolarHBondContact O-N 2.68Å; T20-I23 PolarHBondContact O-N 2.76Å; I23-T26 WeakPolarHBondContact CA-OG1 3.18Å; I23-T26 PolarHBondContact O-N 3.22Å; I23-T26 PolarHBondContact O-OG1 2.91Å; I23-K27 HydrophobicContact CG2-CD 4.24Å; I23-K27 WeakPolarHBondContact O-CB 3.18Å; I23-K27 WeakPolarHBondContact O-CG 3.41Å; I23-K27 PolarHBondContact O-N 2.7Å
24	Y	49.4	Very low	47.3	Very low	62 Å²	62	70.3 Å²	70.3	24%	0.243	31%	0.313	C	S	.	.	H	α-helix	trans	-69.2	-42.4	179	-84.5	-64.1	0	0	0	111.8	T20 I21 T26 K27 H28 E215 M219	T20-Y24 WeakPolarHBondContact O-CB 3.36Å; T20-Y24 WeakPolarHBondContact O-CD2 3.09Å; T20-Y24 PolarHBondContact O-N 2.73Å; I21-Y24 PolarHBondContact O-N 2.84Å; Y24-T26 VanDerWaalsContact C-N 3.35Å; Y24-T26 PolarHBondContact O-N 2.89Å; Y24-K27 PolarHBondContact O-N 3.41Å; Y24-H28 VanDerWaalsContact O-CB 3.29Å; Y24-H28 WeakPolarHBondContact O-CB 3.31Å; Y24-H28 PolarHBondContact O-N 3.42Å; Y24-E215 PolarHBondContact OH-OE1 3.48Å; Y24-M219 HydrophobicContact CD1-CE 3.81Å; Y24-M219 HydrophobicContact CD1-SD 3.61Å; Y24-M219 HydrophobicContact CD2-SD 4.29Å; Y24-M219 HydrophobicContact CE1-CE 3.83Å; Y24-M219 HydrophobicContact CE1-SD 3.86Å; Y24-M219 HydrophobicContact CE2-SD 4.49Å; Y24-M219 HydrophobicContact CG-SD 3.85Å
25	A	44.8	Very low	47.7	Very low	13 Å²	13	70.8 Å²	70.8	11%	0.107	32%	0.317	C	S	.	.	H	α-helix	trans	-58.1	-47	173.6	0	0	0	0	0	110.9	I21 I22 H28 F29 F226	I21-A25 WeakPolarHBondContact O-CB 3.29Å; I21-A25 PolarHBondContact O-N 3.33Å; I22-A25 PolarHBondContact O-N 3.45Å; A25-H28 PolarHBondContact O-N 2.79Å; A25-F29 WeakPolarHBondContact O-CB 3.33Å; A25-F29 VanDerWaalsContact O-CD2 3.26Å; A25-F29 WeakPolarHBondContact O-CD2 3.22Å; A25-F29 PolarHBondContact O-N 2.78Å; A25-F226 HydrophobicContact CB-CE2 3.73Å; A25-F226 HydrophobicContact CB-CZ 3.58Å
26	T	45.4	Very low	48.1	Very low	35 Å²	35	75.8 Å²	75.8	22%	0.215	34%	0.34	C	S	.	.	H	α-helix	trans	-64.8	-41.2	178.5	50.7	0	0	0	0	112.5	I22 I23 Y24 K30 I144	I22-T26 WeakPolarHBondContact O-CB 3.33Å; I22-T26 VanDerWaalsContact O-CG2 3.29Å; I22-T26 WeakPolarHBondContact O-CG2 3.24Å; I22-T26 PolarHBondContact O-N 2.88Å; I22-T26 PolarHBondContact O-OG1 3.11Å; I23-T26 WeakPolarHBondContact CA-OG1 3.18Å; I23-T26 PolarHBondContact O-N 3.22Å; I23-T26 PolarHBondContact O-OG1 2.91Å; Y24-T26 VanDerWaalsContact C-N 3.35Å; Y24-T26 PolarHBondContact O-N 2.89Å; T26-K30 VanDerWaalsContact O-CB 3.24Å; T26-K30 WeakPolarHBondContact O-CB 3.4Å; T26-K30 PolarHBondContact O-N 3.31Å; T26-I144 HydrophobicContact CG2-CD1 4.24Å; T26-I144 HydrophobicContact CG2-CG1 4.02Å
27	K	49.7	Very low	48.5	Very low	129 Å²	129	71.7 Å²	71.7	56%	0.561	33%	0.327	S	S	*	.	H	α-helix	trans	-60.8	-44.5	171.9	-76.8	179.3	-179.2	176.8	0	111.8	I23 Y24 K30 Y31	I23-K27 HydrophobicContact CG2-CD 4.24Å; I23-K27 WeakPolarHBondContact O-CB 3.18Å; I23-K27 WeakPolarHBondContact O-CG 3.41Å; I23-K27 PolarHBondContact O-N 2.7Å; Y24-K27 PolarHBondContact O-N 3.41Å; K27-K30 PolarHBondContact O-N 2.83Å; K27-Y31 WeakPolarHBondContact O-CB 3.46Å; K27-Y31 PolarHBondContact O-N 2.7Å
28	H	50.4	Low	48.7	Very low	57 Å²	57	69.7 Å²	69.7	26%	0.264	32%	0.322	S	S	.	.	H	α-helix	trans	-68.4	-43	-179.7	-171.4	-104.4	0	0	0	112	Y24 A25 Y31 L32	Y24-H28 VanDerWaalsContact O-CB 3.29Å; Y24-H28 WeakPolarHBondContact O-CB 3.31Å; Y24-H28 PolarHBondContact O-N 3.42Å; A25-H28 PolarHBondContact O-N 2.79Å; H28-Y31 PolarHBondContact O-N 2.75Å; H28-L32 VanDerWaalsContact CE1-CD1 3.41Å; H28-L32 WeakPolarHBondContact CE1-CD1 3.44Å; H28-L32 WeakPolarHBondContact O-CB 3.42Å; H28-L32 WeakPolarHBondContact O-CG 3.21Å; H28-L32 PolarHBondContact O-N 3.5Å
29	F	49.9	Very low	49.1	Very low	78 Å²	78	71.8 Å²	71.8	34%	0.342	34%	0.336	S	S	.	.	H	α-helix	trans	-60.7	-46	172.7	-92.6	-74.5	0	0	0	111.5	A25 Y31 L32 I33 F140 F226	A25-F29 WeakPolarHBondContact O-CB 3.33Å; A25-F29 VanDerWaalsContact O-CD2 3.26Å; A25-F29 WeakPolarHBondContact O-CD2 3.22Å; A25-F29 PolarHBondContact O-N 2.78Å; F29-Y31 VanDerWaalsContact C-N 3.31Å; F29-Y31 PolarHBondContact O-N 2.89Å; F29-L32 PolarHBondContact O-N 3.2Å; F29-I33 WeakPolarHBondContact O-CB 3.42Å; F29-I33 WeakPolarHBondContact O-CG1 3.2Å; F29-I33 PolarHBondContact O-N 2.94Å; F29-F140 HydrophobicContact CB-CE1 4.29Å; F29-F140 HydrophobicContact CB-CZ 4.32Å; F29-F140 HydrophobicContact CG-CZ 4.47Å; F29-F226 HydrophobicContact CD2-CE1 4.41Å; F29-F226 AromaticContact CE2-CD1 3.82Å; F29-F226 HydrophobicContact CE2-CD1 3.82Å; F29-F226 AromaticContact CE2-CE1 3.39Å; F29-F226 HydrophobicContact CE2-CE1 3.39Å; F29-F226 AromaticContact CE2-CZ 3.94Å; F29-F226 HydrophobicContact CE2-CZ 3.94Å; F29-F226 HydrophobicContact CZ-CD1 4.02Å; F29-F226 AromaticContact CZ-CE1 3.93Å; F29-F226 HydrophobicContact CZ-CE1 3.93Å
30	K	47.3	Very low	49.4	Very low	124 Å²	124	71.7 Å²	71.7	54%	0.539	34%	0.336	S	S	.	.	H	α-helix	trans	-58.2	-45.1	175.2	-175	176.2	-178.4	177.8	0	111	T26 K27 I34	T26-K30 VanDerWaalsContact O-CB 3.24Å; T26-K30 WeakPolarHBondContact O-CB 3.4Å; T26-K30 PolarHBondContact O-N 3.31Å; K27-K30 PolarHBondContact O-N 2.83Å; K30-I34 HydrophobicContact CG-CD1 3.77Å; K30-I34 WeakPolarHBondContact O-CB 3.39Å; K30-I34 WeakPolarHBondContact O-CD1 3.34Å; K30-I34 WeakPolarHBondContact O-CG1 3.29Å; K30-I34 PolarHBondContact O-N 3.46Å
31	Y	50.6	Low	49.6	Very low	135 Å²	135	72 Å²	72	53%	0.529	34%	0.336	S	S	.	.	H	α-helix	trans	-62.1	-47.6	176.2	175.6	-105.7	0	0	0	112.5	K27 H28 F29 I33 I34 K35	K27-Y31 WeakPolarHBondContact O-CB 3.46Å; K27-Y31 PolarHBondContact O-N 2.7Å; H28-Y31 PolarHBondContact O-N 2.75Å; F29-Y31 VanDerWaalsContact C-N 3.31Å; F29-Y31 PolarHBondContact O-N 2.89Å; Y31-I33 PolarHBondContact O-N 3.45Å; Y31-I34 PolarHBondContact O-N 3.42Å; Y31-K35 HydrophobicContact CE1-CD 4.19Å; Y31-K35 VanDerWaalsContact O-CB 3.25Å; Y31-K35 WeakPolarHBondContact O-CB 3.49Å; Y31-K35 PolarHBondContact O-N 2.96Å
32	L	51.2	Low	49.8	Very low	65 Å²	65	73.2 Å²	73.2	34%	0.34	34%	0.343	S	S	.	.	H	α-helix	trans	-62.9	-42.3	178.4	-76.6	177.3	0	0	0	112.5	H28 F29 K35 K36	H28-L32 VanDerWaalsContact CE1-CD1 3.41Å; H28-L32 WeakPolarHBondContact CE1-CD1 3.44Å; H28-L32 WeakPolarHBondContact O-CB 3.42Å; H28-L32 WeakPolarHBondContact O-CG 3.21Å; H28-L32 PolarHBondContact O-N 3.5Å; F29-L32 PolarHBondContact O-N 3.2Å; L32-K35 PolarHBondContact O-N 3.5Å; L32-K36 WeakPolarHBondContact O-CB 3.28Å; L32-K36 WeakPolarHBondContact O-CG 3.46Å; L32-K36 PolarHBondContact O-N 2.82Å
33	I	48.8	Very low	50.1	Low	53 Å²	53	78.4 Å²	78.4	27%	0.272	36%	0.364	S	S	.	.	H	α-helix	trans	-63.5	-48.8	176.8	-71.3	167.3	0	0	0	109.6	F29 Y31 K35 K36 L37	F29-I33 WeakPolarHBondContact O-CB 3.42Å; F29-I33 WeakPolarHBondContact O-CG1 3.2Å; F29-I33 PolarHBondContact O-N 2.94Å; Y31-I33 PolarHBondContact O-N 3.45Å; I33-K35 VanDerWaalsContact C-N 3.33Å; I33-K35 PolarHBondContact O-N 2.92Å; I33-K36 PolarHBondContact O-N 3.35Å; I33-L37 HydrophobicContact CG2-CD1 3.71Å; I33-L37 VanDerWaalsContact O-CB 3.29Å; I33-L37 WeakPolarHBondContact O-CB 3.25Å; I33-L37 PolarHBondContact O-N 2.86Å
34	I	50	Low	50.2	Low	83 Å²	83	77.5 Å²	77.5	43%	0.426	36%	0.359	S	S	.	.	H	α-helix	trans	-61.6	-41	177.1	-69.5	168.5	0	0	0	111.1	K30 Y31 L37 T38	K30-I34 HydrophobicContact CG-CD1 3.77Å; K30-I34 WeakPolarHBondContact O-CB 3.39Å; K30-I34 WeakPolarHBondContact O-CD1 3.34Å; K30-I34 WeakPolarHBondContact O-CG1 3.29Å; K30-I34 PolarHBondContact O-N 3.46Å; Y31-I34 PolarHBondContact O-N 3.42Å; I34-L37 PolarHBondContact O-N 3.43Å; I34-T38 HydrophobicContact CG2-CG2 4.47Å; I34-T38 WeakPolarHBondContact O-CB 3.34Å; I34-T38 PolarHBondContact O-N 2.98Å; I34-T38 PolarHBondContact O-OG1 3.26Å
35	K	52.8	Low	50.2	Low	101 Å²	101	77.5 Å²	77.5	44%	0.439	36%	0.362	S	S	.	.	H	α-helix	trans	-66.7	-42.4	178	-171.8	175.4	-178.6	177.3	0	111.8	Y31 L32 I33 T38 N39	Y31-K35 HydrophobicContact CE1-CD 4.19Å; Y31-K35 VanDerWaalsContact O-CB 3.25Å; Y31-K35 WeakPolarHBondContact O-CB 3.49Å; Y31-K35 PolarHBondContact O-N 2.96Å; L32-K35 PolarHBondContact O-N 3.5Å; I33-K35 VanDerWaalsContact C-N 3.33Å; I33-K35 PolarHBondContact O-N 2.92Å; K35-T38 WeakPolarHBondContact CA-OG1 3.29Å; K35-T38 PolarHBondContact O-OG1 3.49Å; K35-T38 VanDerWaalsContact O-OG1 3.11Å; K35-N39 VanDerWaalsContact O-CB 3.31Å; K35-N39 WeakPolarHBondContact O-CB 3.4Å; K35-N39 PolarHBondContact O-N 2.79Å
36	K	52.6	Low	50.3	Low	161 Å²	161	86.8 Å²	86.8	70%	0.7	40%	0.396	S	S	*	.	H	α-helix	trans	-65.5	-42.7	173.9	-80.4	-174.6	175.6	179.8	0	111.3	L32 I33 N39 Y40	L32-K36 WeakPolarHBondContact O-CB 3.28Å; L32-K36 WeakPolarHBondContact O-CG 3.46Å; L32-K36 PolarHBondContact O-N 2.82Å; I33-K36 PolarHBondContact O-N 3.35Å; K36-N39 PolarHBondContact O-N 2.9Å; K36-Y40 VanDerWaalsContact O-CB 3.22Å; K36-Y40 WeakPolarHBondContact O-CB 3.44Å; K36-Y40 PolarHBondContact O-N 3.42Å
37	L	50.2	Low	50.4	Low	53 Å²	53	87.7 Å²	87.7	28%	0.277	40%	0.402	S	S	.	.	H	α-helix	trans	-62.1	-47.1	175.2	-93.7	155.3	0	0	0	111.8	I33 I34 Y40 L41 I133	I33-L37 HydrophobicContact CG2-CD1 3.71Å; I33-L37 VanDerWaalsContact O-CB 3.29Å; I33-L37 WeakPolarHBondContact O-CB 3.25Å; I33-L37 PolarHBondContact O-N 2.86Å; I34-L37 PolarHBondContact O-N 3.43Å; L37-Y40 PolarHBondContact O-N 2.92Å; L37-L41 VanDerWaalsContact O-CB 3.25Å; L37-L41 WeakPolarHBondContact O-CB 3.21Å; L37-L41 WeakPolarHBondContact O-CG 3.16Å; L37-L41 PolarHBondContact O-N 3.33Å; L37-I133 HydrophobicContact CD1-CG2 4.15Å; L37-I133 HydrophobicContact CD2-CG2 3.88Å; L37-I133 HydrophobicContact CG-CG2 4.19Å
38	T	51.3	Low	50.5	Low	29 Å²	29	86.7 Å²	86.7	18%	0.178	41%	0.407	C	S	.	.	H	α-helix	trans	-66.4	-40.1	177.7	41	0	0	0	0	111.7	I34 K35 L41 N42 K71	I34-T38 HydrophobicContact CG2-CG2 4.47Å; I34-T38 WeakPolarHBondContact O-CB 3.34Å; I34-T38 PolarHBondContact O-N 2.98Å; I34-T38 PolarHBondContact O-OG1 3.26Å; K35-T38 WeakPolarHBondContact CA-OG1 3.29Å; K35-T38 PolarHBondContact O-OG1 3.49Å; K35-T38 VanDerWaalsContact O-OG1 3.11Å; T38-L41 PolarHBondContact O-N 2.86Å; T38-N42 VanDerWaalsContact O-CB 3.23Å; T38-N42 WeakPolarHBondContact O-CB 3.3Å; T38-N42 PolarHBondContact O-N 3.43Å; T38-N42 PolarHBondContact O-ND2 3.37Å; T38-K71 HydrophobicContact CG2-CB 4.42Å
39	N	54.6	Low	50.4	Low	88 Å²	88	87.2 Å²	87.2	47%	0.471	41%	0.409	S	S	.	.	H	α-helix	trans	-63.6	-41.7	172.8	-83.7	-5.5	0	0	0	112.3	K35 K36 K43	K35-N39 VanDerWaalsContact O-CB 3.31Å; K35-N39 WeakPolarHBondContact O-CB 3.4Å; K35-N39 PolarHBondContact O-N 2.79Å; K36-N39 PolarHBondContact O-N 2.9Å; N39-K43 WeakPolarHBondContact O-CG 3.39Å; N39-K43 PolarHBondContact O-N 2.82Å
40	Y	50.3	Low	50.2	Low	87 Å²	87	84.3 Å²	84.3	34%	0.341	40%	0.397	S	S	.	.	H	α-helix	trans	-65	-48.1	177.6	-168.1	-110.8	0	0	0	110.6	K36 L37 K43 L44	K36-Y40 VanDerWaalsContact O-CB 3.22Å; K36-Y40 WeakPolarHBondContact O-CB 3.44Å; K36-Y40 PolarHBondContact O-N 3.42Å; L37-Y40 PolarHBondContact O-N 2.92Å; Y40-K43 WeakPolarHBondContact O-CB 3.37Å; Y40-K43 PolarHBondContact O-N 3.49Å; Y40-L44 HydrophobicContact CD1-CD1 3.46Å; Y40-L44 VanDerWaalsContact CD1-CD1 3.46Å; Y40-L44 HydrophobicContact CE1-CD1 3.13Å; Y40-L44 HydrophobicContact CE1-CG 4.5Å; Y40-L44 HydrophobicContact CE2-CD1 4.45Å; Y40-L44 HydrophobicContact CG-CD1 4.26Å; Y40-L44 VanDerWaalsContact O-CB 3.32Å; Y40-L44 WeakPolarHBondContact O-CB 3.43Å; Y40-L44 PolarHBondContact O-N 3.46Å
41	L	51.1	Low	50.2	Low	39 Å²	39	82.8 Å²	82.8	20%	0.204	40%	0.395	C	S	.	.	H	α-helix	trans	-64	-39	176.1	-72.9	168.9	0	0	0	112.6	L37 T38 K43 L44 I45 I73	L37-L41 VanDerWaalsContact O-CB 3.25Å; L37-L41 WeakPolarHBondContact O-CB 3.21Å; L37-L41 WeakPolarHBondContact O-CG 3.16Å; L37-L41 PolarHBondContact O-N 3.33Å; T38-L41 PolarHBondContact O-N 2.86Å; L41-K43 VanDerWaalsContact C-N 3.34Å; L41-K43 PolarHBondContact O-N 2.97Å; L41-L44 CarbonylContact O-C 3.56Å; L41-L44 PolarHBondContact O-N 3.41Å; L41-L44 VanDerWaalsContact O-N 3.11Å; L41-I45 HydrophobicContact CB-CD1 4.49Å; L41-I45 WeakPolarHBondContact O-CB 3.41Å; L41-I45 WeakPolarHBondContact O-CD1 3.38Å; L41-I45 WeakPolarHBondContact O-CG1 3.32Å; L41-I45 PolarHBondContact O-N 2.9Å; L41-I73 HydrophobicContact CD1-CD1 3.18Å
42	N	52.4	Low	50	Low	47 Å²	47	82.5 Å²	82.5	25%	0.251	40%	0.399	S	S	.	.	H	α-helix	trans	-61.4	-44.1	173.7	-73.8	-22	0	0	0	110.3	T38 L44 I45 Y46 K71	T38-N42 VanDerWaalsContact O-CB 3.23Å; T38-N42 WeakPolarHBondContact O-CB 3.3Å; T38-N42 PolarHBondContact O-N 3.43Å; T38-N42 PolarHBondContact O-ND2 3.37Å; N42-L44 PolarHBondContact O-N 3.42Å; N42-I45 PolarHBondContact O-N 2.81Å; N42-Y46 WeakPolarHBondContact O-CD2 3.36Å; N42-K71 PolarHBondContact OD1-NZ 2.78Å
43	K	54.3	Low	49.7	Very low	167 Å²	167	81.3 Å²	81.3	73%	0.726	39%	0.392	S	S	*	.	H	α-helix	trans	-61.9	-31.5	173.8	-74.8	-177.3	177.8	-171.4	0	112.8	N39 Y40 L41	N39-K43 WeakPolarHBondContact O-CG 3.39Å; N39-K43 PolarHBondContact O-N 2.82Å; Y40-K43 WeakPolarHBondContact O-CB 3.37Å; Y40-K43 PolarHBondContact O-N 3.49Å; L41-K43 VanDerWaalsContact C-N 3.34Å; L41-K43 PolarHBondContact O-N 2.97Å
44	L	48.2	Very low	49.4	Very low	22 Å²	22	79.5 Å²	79.5	12%	0.115	38%	0.383	C	S	.	.	H	α-helix	trans	-83.4	-33.9	-177.7	-111.5	157.5	0	0	0	112.7	Y40 L41 N42 Y46 T47 L50 L126	Y40-L44 HydrophobicContact CD1-CD1 3.46Å; Y40-L44 VanDerWaalsContact CD1-CD1 3.46Å; Y40-L44 HydrophobicContact CE1-CD1 3.13Å; Y40-L44 HydrophobicContact CE1-CG 4.5Å; Y40-L44 HydrophobicContact CE2-CD1 4.45Å; Y40-L44 HydrophobicContact CG-CD1 4.26Å; Y40-L44 VanDerWaalsContact O-CB 3.32Å; Y40-L44 WeakPolarHBondContact O-CB 3.43Å; Y40-L44 PolarHBondContact O-N 3.46Å; L41-L44 CarbonylContact O-C 3.56Å; L41-L44 PolarHBondContact O-N 3.41Å; L41-L44 VanDerWaalsContact O-N 3.11Å; N42-L44 PolarHBondContact O-N 3.42Å; L44-Y46 PolarHBondContact O-N 3.24Å; L44-T47 PolarHBondContact O-N 2.89Å; L44-T47 VanDerWaalsContact O-N 3.13Å; L44-T47 PolarHBondContact O-OG1 2.88Å; L44-L50 HydrophobicContact CB-CD1 3.46Å; L44-L50 VanDerWaalsContact CB-CD1 3.46Å; L44-L50 HydrophobicContact CD2-CB 4.22Å; L44-L50 HydrophobicContact CD2-CD1 3.33Å; L44-L50 HydrophobicContact CD2-CG 3.65Å; L44-L50 HydrophobicContact CG-CD1 3.92Å; L44-L50 WeakPolarHBondContact O-CB 3.24Å; L44-L50 WeakPolarHBondContact O-CD1 3.46Å; L44-L126 HydrophobicContact CD1-CD2 4.08Å; L44-L126 HydrophobicContact CD2-CD2 3.74Å; L44-L126 HydrophobicContact CG-CD2 4.43Å
45	I	49.4	Very low	49.3	Very low	61 Å²	61	84.1 Å²	84.1	31%	0.313	40%	0.4	S	S	.	.	H	α-helix	trans	-66.7	-27.1	178	-72.6	161.3	0	0	0	111	L41 N42 I63	L41-I45 HydrophobicContact CB-CD1 4.49Å; L41-I45 WeakPolarHBondContact O-CB 3.41Å; L41-I45 WeakPolarHBondContact O-CD1 3.38Å; L41-I45 WeakPolarHBondContact O-CG1 3.32Å; L41-I45 PolarHBondContact O-N 2.9Å; N42-I45 PolarHBondContact O-N 2.81Å; I45-I63 HydrophobicContact CD1-CD1 3.89Å
46	Y	45	Very low	48.8	Very low	208 Å²	208	88.5 Å²	88.5	82%	0.816	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-4.3	174.7	-73	-68.5	0	0	0	114.5	N42 L44	N42-Y46 WeakPolarHBondContact O-CD2 3.36Å; L44-Y46 PolarHBondContact O-N 3.24Å
47	T	49.4	Very low	48	Very low	54 Å²	54	86.4 Å²	86.4	33%	0.331	41%	0.405	S	S	.	.	S	Bend	trans	-91.1	125.3	172.2	54.2	0	0	0	0	110.3	L44 E49 L50	L44-T47 PolarHBondContact O-N 2.89Å; L44-T47 VanDerWaalsContact O-N 3.13Å; L44-T47 PolarHBondContact O-OG1 2.88Å; T47-E49 PolarHBondContact O-N 3.21Å; T47-L50 PolarHBondContact O-N 2.69Å
48	T	51.5	Low	47.2	Very low	109 Å²	109	90.6 Å²	90.6	67%	0.669	43%	0.427	S	S	*	.	H	α-helix	trans	-49.3	-28.5	172.3	43.3	0	0	0	0	112.8	L50 N51 Q52	T48-L50 PolarHBondContact O-N 3.5Å; T48-N51 PolarHBondContact O-N 3.21Å; T48-Q52 PolarHBondContact O-N 2.96Å
49	E	47.5	Very low	46.5	Very low	67 Å²	67	91.6 Å²	91.6	31%	0.313	43%	0.431	S	S	.	.	H	α-helix	trans	-58.7	-37.8	176	-65.9	-174.8	174.5	0	0	113.9	T47 Q52 I53 H123	T47-E49 PolarHBondContact O-N 3.21Å; E49-Q52 PolarHBondContact O-N 3.5Å; E49-I53 VanDerWaalsContact O-CG1 3.29Å; E49-I53 WeakPolarHBondContact O-CG1 3.48Å; E49-I53 PolarHBondContact O-N 3.15Å; E49-I53 VanDerWaalsContact O-N 3.08Å; E49-H123 IonicContact OE2-CE1 3.55Å
50	L	45	Very low	45.6	Very low	18 Å²	18	90.4 Å²	90.4	9%	0.094	43%	0.43	C	S	.	.	H	α-helix	trans	-75	-37.7	-178.9	-135.7	-179.7	0	0	0	111.2	L44 T47 T48 Q52 I53 I54 W61	L44-L50 HydrophobicContact CB-CD1 3.46Å; L44-L50 VanDerWaalsContact CB-CD1 3.46Å; L44-L50 HydrophobicContact CD2-CB 4.22Å; L44-L50 HydrophobicContact CD2-CD1 3.33Å; L44-L50 HydrophobicContact CD2-CG 3.65Å; L44-L50 HydrophobicContact CG-CD1 3.92Å; L44-L50 WeakPolarHBondContact O-CB 3.24Å; L44-L50 WeakPolarHBondContact O-CD1 3.46Å; T47-L50 PolarHBondContact O-N 2.69Å; T48-L50 PolarHBondContact O-N 3.5Å; L50-Q52 PolarHBondContact O-N 2.83Å; L50-I53 PolarHBondContact O-N 2.91Å; L50-I54 HydrophobicContact CD2-CD1 4.01Å; L50-I54 HydrophobicContact CD2-CG1 3.74Å; L50-I54 WeakPolarHBondContact O-CD1 3.41Å; L50-I54 WeakPolarHBondContact O-CG1 3.31Å; L50-I54 PolarHBondContact O-N 3.47Å; L50-W61 HydrophobicContact CD1-CH2 3.86Å; L50-W61 HydrophobicContact CD2-CH2 3.22Å; L50-W61 HydrophobicContact CD2-CZ2 3.95Å; L50-W61 HydrophobicContact CD2-CZ3 4Å; L50-W61 HydrophobicContact CG-CH2 4.16Å
51	N	47.6	Very low	45.1	Very low	91 Å²	91	90.5 Å²	90.5	49%	0.487	43%	0.43	S	S	.	.	H	α-helix	trans	-58.1	-34.9	171.2	-82.4	-20.4	0	0	0	113.1	T48 I54 K55	T48-N51 PolarHBondContact O-N 3.21Å; N51-I54 WeakPolarHBondContact OD1-CD1 3.41Å; N51-K55 WeakPolarHBondContact O-CB 3.41Å; N51-K55 WeakPolarHBondContact O-CG 3.15Å; N51-K55 PolarHBondContact O-N 2.97Å
52	Q	47	Very low	44.1	Very low	130 Å²	130	92.2 Å²	92.2	61%	0.607	44%	0.442	S	S	*	.	H	α-helix	trans	-71	-38.7	172.7	-69.2	176.1	-10.8	0	0	112.4	T48 E49 L50 R56	T48-Q52 PolarHBondContact O-N 2.96Å; E49-Q52 PolarHBondContact O-N 3.5Å; L50-Q52 PolarHBondContact O-N 2.83Å; Q52-R56 VanDerWaalsContact O-CB 3.27Å; Q52-R56 WeakPolarHBondContact O-CB 3.44Å; Q52-R56 PolarHBondContact O-N 3.41Å
53	I	44.1	Very low	43.2	Very low	39 Å²	39	93.9 Å²	93.9	20%	0.2	45%	0.45	C	S	.	.	H	α-helix	trans	-67.7	-44.8	178.2	-67.5	165.7	0	0	0	111.5	E49 L50 K55 R56 F57	E49-I53 VanDerWaalsContact O-CG1 3.29Å; E49-I53 WeakPolarHBondContact O-CG1 3.48Å; E49-I53 PolarHBondContact O-N 3.15Å; E49-I53 VanDerWaalsContact O-N 3.08Å; L50-I53 PolarHBondContact O-N 2.91Å; I53-K55 PolarHBondContact O-N 3.26Å; I53-R56 PolarHBondContact O-N 3.1Å; I53-R56 VanDerWaalsContact O-N 3.16Å; I53-F57 HydrophobicContact CG2-CD2 3.82Å; I53-F57 HydrophobicContact CG2-CE2 4.17Å; I53-F57 WeakPolarHBondContact O-CD2 3.34Å; I53-F57 PolarHBondContact O-N 3.45Å
54	I	43.1	Very low	42	Very low	16 Å²	16	91.7 Å²	91.7	8%	0.082	44%	0.442	C	S	.	.	H	α-helix	trans	-59.2	-47.4	177.4	-59.1	150.1	0	0	0	110.6	L50 N51 R56 F57 N58 L59 W61	L50-I54 HydrophobicContact CD2-CD1 4.01Å; L50-I54 HydrophobicContact CD2-CG1 3.74Å; L50-I54 WeakPolarHBondContact O-CD1 3.41Å; L50-I54 WeakPolarHBondContact O-CG1 3.31Å; L50-I54 PolarHBondContact O-N 3.47Å; N51-I54 WeakPolarHBondContact OD1-CD1 3.41Å; I54-R56 VanDerWaalsContact C-N 3.29Å; I54-R56 PolarHBondContact O-N 3.48Å; I54-F57 PolarHBondContact O-N 2.84Å; I54-N58 PolarHBondContact O-N 3.35Å; I54-L59 HydrophobicContact CG2-CB 4.26Å; I54-L59 WeakPolarHBondContact CG2-O 3.46Å; I54-L59 PolarHBondContact O-N 2.83Å; I54-L59 VanDerWaalsContact O-N 3.15Å; I54-W61 HydrophobicContact CD1-CD2 4.33Å; I54-W61 HydrophobicContact CD1-CH2 3.66Å; I54-W61 HydrophobicContact CD1-CZ2 2.86Å; I54-W61 HydrophobicContact CG1-CD2 4.22Å; I54-W61 HydrophobicContact CG1-CE3 4.46Å; I54-W61 HydrophobicContact CG1-CH2 3.66Å; I54-W61 HydrophobicContact CG1-CZ2 3.32Å; I54-W61 HydrophobicContact CG1-CZ3 4.17Å
55	K	47.7	Very low	40.9	Very low	179 Å²	179	95.7 Å²	95.7	78%	0.778	47%	0.472	S	S	*	.	H	α-helix	trans	-61.6	-38.3	176.8	-78.5	-176.5	177.1	-174.5	0	111.6	N51 I53	N51-K55 WeakPolarHBondContact O-CB 3.41Å; N51-K55 WeakPolarHBondContact O-CG 3.15Å; N51-K55 PolarHBondContact O-N 2.97Å; I53-K55 PolarHBondContact O-N 3.26Å
56	R	42.3	Very low	40	Very low	193 Å²	193	97.8 Å²	97.8	73%	0.728	48%	0.483	S	S	*	.	H	α-helix	trans	-71.7	-31.4	-179.9	-164.6	175.9	-173.3	171.3	5.3	113.5	Q52 I53 I54	Q52-R56 VanDerWaalsContact O-CB 3.27Å; Q52-R56 WeakPolarHBondContact O-CB 3.44Å; Q52-R56 PolarHBondContact O-N 3.41Å; I53-R56 PolarHBondContact O-N 3.1Å; I53-R56 VanDerWaalsContact O-N 3.16Å; I54-R56 VanDerWaalsContact C-N 3.29Å; I54-R56 PolarHBondContact O-N 3.48Å
57	F	36.5	Very low	39.1	Very low	118 Å²	118	94 Å²	94	52%	0.518	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	8.1	-178.9	-75.2	-76.1	0	0	0	114.1	I53 I54 L59	I53-F57 HydrophobicContact CG2-CD2 3.82Å; I53-F57 HydrophobicContact CG2-CE2 4.17Å; I53-F57 WeakPolarHBondContact O-CD2 3.34Å; I53-F57 PolarHBondContact O-N 3.45Å; I54-F57 PolarHBondContact O-N 2.84Å; F57-L59 HydrophobicContact CB-CD1 3.69Å; F57-L59 HydrophobicContact CB-CG 3.87Å; F57-L59 PolarHBondContact O-N 2.83Å
58	N	33.6	Very low	38.3	Very low	140 Å²	140	101.7 Å²	101.7	75%	0.749	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	33	-177.6	-128.4	9.5	0	0	0	112.8	I54 S60	I54-N58 PolarHBondContact O-N 3.35Å; N58-S60 PolarHBondContact O-N 3.48Å
59	L	35.8	Very low	37.1	Very low	51 Å²	51	101.7 Å²	101.7	27%	0.267	51%	0.514	S	S	.	.			trans	-79.1	123	-179.7	-74	162.8	0	0	0	107.7	I54 F57 V75 F77	I54-L59 HydrophobicContact CG2-CB 4.26Å; I54-L59 WeakPolarHBondContact CG2-O 3.46Å; I54-L59 PolarHBondContact O-N 2.83Å; I54-L59 VanDerWaalsContact O-N 3.15Å; F57-L59 HydrophobicContact CB-CD1 3.69Å; F57-L59 HydrophobicContact CB-CG 3.87Å; F57-L59 PolarHBondContact O-N 2.83Å; L59-V75 HydrophobicContact CD2-CG1 4.26Å; L59-F77 HydrophobicContact CD2-CD1 4.26Å; L59-F77 HydrophobicContact CD2-CE1 4.25Å
60	S	36	Very low	36.1	Very low	63 Å²	63	105 Å²	105	44%	0.441	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	131.1	167.5	66.3	0	0	0	0	108.4	N58	N58-S60 PolarHBondContact O-N 3.48Å
61	W	38.9	Very low	35.2	Very low	89 Å²	89	109.2 Å²	109.2	34%	0.337	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	135.2	173.2	44.4	29.5	0	0	0	110.3	L50 I54	L50-W61 HydrophobicContact CD1-CH2 3.86Å; L50-W61 HydrophobicContact CD2-CH2 3.22Å; L50-W61 HydrophobicContact CD2-CZ2 3.95Å; L50-W61 HydrophobicContact CD2-CZ3 4Å; L50-W61 HydrophobicContact CG-CH2 4.16Å; I54-W61 HydrophobicContact CD1-CD2 4.33Å; I54-W61 HydrophobicContact CD1-CH2 3.66Å; I54-W61 HydrophobicContact CD1-CZ2 2.86Å; I54-W61 HydrophobicContact CG1-CD2 4.22Å; I54-W61 HydrophobicContact CG1-CE3 4.46Å; I54-W61 HydrophobicContact CG1-CH2 3.66Å; I54-W61 HydrophobicContact CG1-CZ2 3.32Å; I54-W61 HydrophobicContact CG1-CZ3 4.17Å
62	T	31.6	Very low	34.1	Very low	74 Å²	74	113.8 Å²	113.8	45%	0.454	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.5	119	171.2	45	0	0	0	0	107.6
63	I	33.5	Very low	33.3	Very low	82 Å²	82	111.5 Å²	111.5	42%	0.421	55%	0.55	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	103.1	170.3	-58.4	174	0	0	0	105.7	I45 K71	I45-I63 HydrophobicContact CD1-CD1 3.89Å; I63-K71 HydrophobicContact CG2-CD 4.44Å
64	H	28.3	Very low	32.5	Very low	122 Å²	122	117.7 Å²	117.7	57%	0.565	57%	0.57	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-87.6	119.4	167.4	-78.5	-71.4	0	0	0	108.8	L66	H64-L66 PolarHBondContact O-N 3.34Å
65	S	25.6	Very low	31.9	Very low	105 Å²	105	120.1 Å²	120.1	73%	0.734	59%	0.586	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-75	112	165.7	63.4	0	0	0	0	108.3
66	L	29.9	Very low	30.9	Very low	105 Å²	105	115.1 Å²	115.1	55%	0.55	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.1	-9	176.3	-91.5	146.3	0	0	0	112.7	H64 R72	H64-L66 PolarHBondContact O-N 3.34Å; L66-R72 HydrophobicContact CD1-CB 4.44Å
67	N	27.1	Very low	30.3	Very low	128 Å²	128	112.8 Å²	112.8	68%	0.684	56%	0.563	S	S	*	*	E	Extended strand (participates in β ladder)	trans	173	164	163.7	-91.1	-28.5	0	0	0	107.9	S69 M70	N67-S69 PolarHBondContact O-N 3.43Å; N67-M70 PolarHBondContact O-N 2.91Å
68	Q	31.3	Very low	29.8	Very low	217 Å²	217	115.1 Å²	115.1	100%	1.014	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.6	-22.3	-176	-81.4	-177.8	-12.7	0	0	114.6
69	S	27.2	Very low	29.5	Very low	109 Å²	109	115.5 Å²	115.5	76%	0.762	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.9	-8.7	-177.3	55.6	0	0	0	0	115.6	N67	N67-S69 PolarHBondContact O-N 3.43Å
70	M	25.2	Very low	29	Very low	137 Å²	137	119 Å²	119	68%	0.675	59%	0.593	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-135.2	111.5	-177.5	-76.4	-142.5	-78.2	0	0	112.9	N67	N67-M70 PolarHBondContact O-N 2.91Å
71	K	26.8	Very low	28.4	Very low	105 Å²	105	120.1 Å²	120.1	46%	0.457	60%	0.601	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.8	116.8	165.8	-64.8	-173	-178.1	-171.9	0	108.9	T38 N42 I63	T38-K71 HydrophobicContact CG2-CB 4.42Å; N42-K71 PolarHBondContact OD1-NZ 2.78Å; I63-K71 HydrophobicContact CG2-CD 4.44Å
72	R	25.7	Very low	27.7	Very low	188 Å²	188	122.9 Å²	122.9	71%	0.709	62%	0.622	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-89.9	129.9	167.5	-117.1	179.8	175.1	173.4	-1.6	108.2	L66	L66-R72 HydrophobicContact CD1-CB 4.44Å
73	I	30.2	Very low	27.4	Very low	81 Å²	81	128.3 Å²	128.3	42%	0.415	64%	0.639	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107	117.1	174.3	-60.3	165.2	0	0	0	106.8	L41 V75	L41-I73 HydrophobicContact CD1-CD1 3.18Å; I73-V75 HydrophobicContact CG2-CG2 3.95Å
74	R	26.2	Very low	27	Very low	169 Å²	169	128.9 Å²	128.9	64%	0.638	65%	0.65	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-100.1	116.3	169.2	-162.8	175.8	-170.8	170.3	3.7	107.7
75	V	30.2	Very low	26.8	Very low	68 Å²	68	130.1 Å²	130.1	41%	0.412	66%	0.661	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.1	110.7	172.3	-176.3	0	0	0	0	107.1	L59 I73 F77	L59-V75 HydrophobicContact CD2-CG1 4.26Å; I73-V75 HydrophobicContact CG2-CG2 3.95Å; V75-F77 HydrophobicContact CB-CE2 4.47Å; V75-F77 HydrophobicContact CG1-CD2 4.3Å; V75-F77 HydrophobicContact CG1-CE1 4.12Å; V75-F77 HydrophobicContact CG1-CE2 3.84Å; V75-F77 HydrophobicContact CG1-CZ 3.75Å
76	N	28.1	Very low	26.9	Very low	73 Å²	73	132.4 Å²	132.4	39%	0.39	67%	0.665	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.4	111.9	172.5	-90.5	-11	0	0	0	109	K78	N76-K78 PolarHBondContact O-N 2.82Å
77	F	28.4	Very low	26.5	Very low	145 Å²	145	133.5 Å²	133.5	64%	0.636	68%	0.676	S	S	*	*			trans	-81.5	89.3	168.4	-61.5	-79.7	0	0	0	108.7	L59 V75 L80	L59-F77 HydrophobicContact CD2-CD1 4.26Å; L59-F77 HydrophobicContact CD2-CE1 4.25Å; V75-F77 HydrophobicContact CB-CE2 4.47Å; V75-F77 HydrophobicContact CG1-CD2 4.3Å; V75-F77 HydrophobicContact CG1-CE1 4.12Å; V75-F77 HydrophobicContact CG1-CE2 3.84Å; V75-F77 HydrophobicContact CG1-CZ 3.75Å; F77-L80 HydrophobicContact CB-CD1 4.5Å; F77-L80 HydrophobicContact CD1-CD1 3.53Å; F77-L80 HydrophobicContact CE1-CD1 4.13Å; F77-L80 HydrophobicContact CG-CD1 4.34Å
78	K	26.7	Very low	26.4	Very low	166 Å²	166	132.8 Å²	132.8	72%	0.722	68%	0.677	S	S	*	*			trans	-93.6	114.2	165.7	-95.8	-175.2	172.6	-176.8	0	108.1	N76	N76-K78 PolarHBondContact O-N 2.82Å
79	N	26.4	Very low	25.9	Very low	148 Å²	148	133.1 Å²	133.1	79%	0.791	67%	0.671	S	S	*	*			trans	61.1	68.6	170.9	-61.6	-11.8	0	0	0	115.6	S81	N79-S81 PolarHBondContact O-N 3.25Å
80	L	25.9	Very low	25.7	Very low	125 Å²	125	136.7 Å²	136.7	65%	0.654	67%	0.673	S	S	*	*			trans	-74	69.1	154.4	-102.7	146.7	0	0	0	108.8	F77 L82	F77-L80 HydrophobicContact CB-CD1 4.5Å; F77-L80 HydrophobicContact CD1-CD1 3.53Å; F77-L80 HydrophobicContact CE1-CD1 4.13Å; F77-L80 HydrophobicContact CG-CD1 4.34Å; L80-L82 PolarHBondContact O-N 2.82Å
81	S	23.1	Very low	25.6	Very low	87 Å²	87	139.1 Å²	139.1	61%	0.608	68%	0.679	S	S	*	*			trans	-85.9	98.4	157	58.9	0	0	0	0	107	N79 K83	N79-S81 PolarHBondContact O-N 3.25Å; S81-K83 PolarHBondContact O-N 2.85Å
82	L	25.2	Very low	25.4	Very low	146 Å²	146	140.3 Å²	140.3	76%	0.764	70%	0.7	S	S	*	*			trans	-62.3	89.8	161.3	-93.4	140.3	0	0	0	106.9	L80 S84	L80-L82 PolarHBondContact O-N 2.82Å; L82-S84 PolarHBondContact O-N 2.95Å
83	K	24.5	Very low	25.3	Very low	188 Å²	188	138.6 Å²	138.6	82%	0.817	70%	0.704	S	S	*	*			trans	-68.9	79	159.3	-77.6	-172.9	174.4	-175.9	0	107	S81 N85	S81-K83 PolarHBondContact O-N 2.85Å; K83-N85 PolarHBondContact O-N 3.29Å
84	S	25	Very low	25.1	Very low	94 Å²	94	142.8 Å²	142.8	66%	0.657	72%	0.722	S	S	*	*			trans	-78	92.6	169.1	59.5	0	0	0	0	108.3	L82	L82-S84 PolarHBondContact O-N 2.95Å
85	N	25.1	Very low	25	Very low	148 Å²	148	144.2 Å²	144.2	79%	0.791	74%	0.739	S	S	*	*			trans	-99.1	2.8	170.7	-97.8	21.6	0	0	0	113.9	K83	K83-N85 PolarHBondContact O-N 3.29Å
86	D	26	Very low	24.8	Very low	153 Å²	153	148.7 Å²	148.7	82%	0.818	76%	0.76	S	S	*	*			trans	-117.8	84.4	179.1	-68.4	-34.4	0	0	0	111.4	T88	D86-T88 PolarHBondContact O-N 2.99Å
87	T	21.9	Very low	24.6	Very low	128 Å²	128	149.7 Å²	149.7	79%	0.785	77%	0.771	S	S	*	*			trans	-71.7	100.3	159.4	47.7	0	0	0	0	109.1
88	T	25.1	Very low	24.3	Very low	114 Å²	114	152.3 Å²	152.3	70%	0.699	78%	0.778	S	S	*	*			trans	-135.9	95	158.8	40.3	0	0	0	0	110.4	D86 F90	D86-T88 PolarHBondContact O-N 2.99Å; T88-F90 PolarHBondContact O-N 3.47Å
89	Y	21.3	Very low	24.4	Very low	224 Å²	224	152.4 Å²	152.4	88%	0.878	79%	0.786	S	S	*	*			trans	-53.9	125.1	156.6	-86.8	-103.1	0	0	0	109.4
90	F	23.6	Very low	24.3	Very low	184 Å²	184	153 Å²	153	81%	0.807	78%	0.784	S	S	*	*			trans	-137.5	115.1	157.2	-89.1	-79.1	0	0	0	111.2	T88	T88-F90 PolarHBondContact O-N 3.47Å
91	K	22.7	Very low	24.3	Very low	187 Å²	187	154.6 Å²	154.6	81%	0.813	79%	0.793	S	S	*	*			trans	-64.2	132.9	175.8	-77.8	171.6	170.6	174.4	0	110.6	N93	K91-N93 PolarHBondContact O-N 3.32Å
92	C	22.3	Very low	24.5	Very low	131 Å²	131	158.4 Å²	158.4	89%	0.885	81%	0.805	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	22.2	179.3	-75.5	0	0	0	0	116.4
93	N	22.9	Very low	24.4	Very low	151 Å²	151	159.6 Å²	159.6	81%	0.807	81%	0.811	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.1	16	-174.8	-74.5	9.4	0	0	0	114.5	K91	K91-N93 PolarHBondContact O-N 3.32Å
94	Q	25.8	Very low	24.3	Very low	170 Å²	170	159.8 Å²	159.8	79%	0.794	81%	0.812	S	S	*	*			trans	-141.4	94.7	179.6	-70.3	179.3	-19.7	0	0	110
95	M	25.4	Very low	24.2	Very low	199 Å²	199	162.4 Å²	162.4	98%	0.98	82%	0.819	S	S	*	*				171.8	114.2	126.9	-93.7	171.1	167	0	0	111.1
96	N	24.7	Very low	24.2	Very low	161 Å²	161	160.2 Å²	160.2	86%	0.861	81%	0.813	S	S	*	*			trans	-60.1	147.7	178.3	-85.8	-21.7	0	0	0	113.4
97	P	24.4	Very low	24	Very low	95 Å²	95	161 Å²	161	62%	0.617	81%	0.809	S	S	*	*	S	Bend	trans	-79.3	149.3	163.3	35.1	-28.8	0	0	0	109.4
98	Y	23	Very low	24	Very low	199 Å²	199	162.6 Å²	162.6	78%	0.78	81%	0.811	S	S	*	*			trans	83.5	101.7	173.7	-52.5	-78.8	0	0	0	117.1
99	N	27.5	Very low	23.9	Very low	169 Å²	169	165.2 Å²	165.2	90%	0.904	82%	0.815	S	S	*	*			trans	-142.7	99.2	139.6	-122.6	-4.6	0	0	0	108.9
100	H	24.2	Very low	24.1	Very low	160 Å²	160	159.4 Å²	159.4	74%	0.741	80%	0.799	S	S	*	*			trans	-61.6	125.4	159	-82.3	-78.7	0	0	0	107.7
101	N	25.7	Very low	24.2	Very low	158 Å²	158	157.6 Å²	157.6	85%	0.845	80%	0.797	S	S	*	*			trans	154.7	48.2	152.4	-80	-14.4	0	0	0	113.6
102	I	28.3	Very low	24.4	Very low	168 Å²	168	153.5 Å²	153.5	86%	0.862	79%	0.787	S	S	*	*			trans	-139.7	68	165.1	-47.4	176.3	0	0	0	110
103	L	22.2	Very low	24.5	Very low	171 Å²	171	151.5 Å²	151.5	90%	0.895	77%	0.768	S	S	*	*			trans	-83.5	102.9	151.2	-107.3	144.9	0	0	0	106.1
104	K	22.9	Very low	24.6	Very low	191 Å²	191	148.8 Å²	148.8	83%	0.83	76%	0.759	S	S	*	*			trans	172.1	130.2	147.1	-96.2	163.2	-174.8	-175.6	0	110.7
105	N	22.5	Very low	24.6	Very low	150 Å²	150	149 Å²	149	80%	0.802	75%	0.754	S	S	*	*			trans	85.6	139.6	168.8	-77.7	-3.4	0	0	0	121.1
106	P	26.3	Very low	24.6	Very low	102 Å²	102	143 Å²	143	66%	0.662	73%	0.726	S	S	*	*			trans	-120.6	104	-150.4	31	-9.3	0	0	0	110.2
107	F	21.5	Very low	24.8	Very low	170 Å²	170	142.9 Å²	142.9	75%	0.746	72%	0.717	S	S	*	*			trans	-142.2	120.1	-179.7	-79.1	-82.1	0	0	0	112.4	H109	F107-H109 PolarHBondContact O-N 3.29Å
108	I	22.2	Very low	24.9	Very low	160 Å²	160	141.2 Å²	141.2	82%	0.821	71%	0.712	S	S	*	*			trans	-19.3	91.4	152.5	-59.7	155.6	0	0	0	111.3
109	H	22.3	Very low	25.3	Very low	170 Å²	170	133.8 Å²	133.8	79%	0.787	69%	0.687	S	S	*	*			trans	-168	144.3	159.3	-86	-46.7	0	0	0	107.7	F107	F107-H109 PolarHBondContact O-N 3.29Å
110	N	25.4	Very low	25.6	Very low	102 Å²	102	130.8 Å²	130.8	55%	0.545	67%	0.666	S	S	.	*			trans	91.9	15.5	166.7	-62.9	-12.9	0	0	0	122.4
111	I	26.4	Very low	26.2	Very low	146 Å²	146	131.1 Å²	131.1	75%	0.749	67%	0.665	S	S	*	*	H	α-helix	trans	-74.4	-32.3	163.9	-61	178.1	0	0	0	111	Y115	I111-Y115 PolarHBondContact O-N 3.4Å
112	T	25.9	Very low	26.9	Very low	100 Å²	100	129.5 Å²	129.5	61%	0.613	65%	0.651	S	S	*	*	H	α-helix	trans	-72.2	-38.1	178.7	37.8	0	0	0	0	113.2	Y115 I116	T112-Y115 PolarHBondContact O-N 2.87Å; T112-I116 VanDerWaalsContact O-CB 3.29Å; T112-I116 WeakPolarHBondContact O-CB 3.29Å; T112-I116 WeakPolarHBondContact O-CD1 3.22Å; T112-I116 WeakPolarHBondContact O-CG1 3.24Å; T112-I116 PolarHBondContact O-N 2.87Å
113	D	26.1	Very low	27.5	Very low	90 Å²	90	123.6 Å²	123.6	48%	0.481	62%	0.619	S	S	.	*	H	α-helix	trans	-74.3	-31.3	-177.3	-84.8	-21	0	0	0	114.3	K117	D113-K117 WeakPolarHBondContact O-CB 3.33Å; D113-K117 PolarHBondContact O-N 3.33Å
114	C	24	Very low	28.4	Very low	93 Å²	93	120.5 Å²	120.5	63%	0.628	60%	0.604	S	S	*	*	H	α-helix	trans	-73.2	-36.6	172.1	-89.1	0	0	0	0	112.1	K117 A118	C114-K117 PolarHBondContact O-N 3.25Å; C114-A118 WeakPolarHBondContact O-CB 3.39Å; C114-A118 PolarHBondContact O-N 2.88Å
115	Y	25.2	Very low	29.6	Very low	174 Å²	174	116 Å²	116	68%	0.682	59%	0.588	S	S	*	*	H	α-helix	trans	-68.2	-37.1	171.7	-112.1	-90.2	0	0	0	112.1	I111 T112 T119	I111-Y115 PolarHBondContact O-N 3.4Å; T112-Y115 PolarHBondContact O-N 2.87Å; Y115-T119 VanDerWaalsContact O-CB 3.32Å; Y115-T119 WeakPolarHBondContact O-CB 3.26Å; Y115-T119 VanDerWaalsContact O-CG2 3.24Å; Y115-T119 WeakPolarHBondContact O-CG2 3.44Å; Y115-T119 PolarHBondContact O-N 3.47Å; Y115-T119 PolarHBondContact O-OG1 2.95Å
116	I	26.4	Very low	30.8	Very low	75 Å²	75	110.7 Å²	110.7	39%	0.385	56%	0.559	S	S	.	*	H	α-helix	trans	-70.7	-35.5	176.4	-68.8	163.9	0	0	0	111.4	T112 T119 K120	T112-I116 VanDerWaalsContact O-CB 3.29Å; T112-I116 WeakPolarHBondContact O-CB 3.29Å; T112-I116 WeakPolarHBondContact O-CD1 3.22Å; T112-I116 WeakPolarHBondContact O-CG1 3.24Å; T112-I116 PolarHBondContact O-N 2.87Å; I116-T119 VanDerWaalsContact CA-OG1 3.29Å; I116-T119 WeakPolarHBondContact CA-OG1 3.5Å; I116-T119 PolarHBondContact O-OG1 3.09Å; I116-K120 HydrophobicContact CG2-CD 4.06Å; I116-K120 HydrophobicContact CG2-CG 4.39Å; I116-K120 WeakPolarHBondContact O-CB 3.36Å; I116-K120 WeakPolarHBondContact O-CG 3.44Å; I116-K120 PolarHBondContact O-N 3.14Å
117	K	27.9	Very low	31.8	Very low	157 Å²	157	109.5 Å²	109.5	68%	0.683	55%	0.547	S	S	*	.	H	α-helix	trans	-70.5	-40.1	172.9	-92.1	177.4	175.5	171.5	0	112.7	D113 C114 K121	D113-K117 WeakPolarHBondContact O-CB 3.33Å; D113-K117 PolarHBondContact O-N 3.33Å; C114-K117 PolarHBondContact O-N 3.25Å; K117-K121 PolarHBondContact O-N 3.16Å
118	A	26.8	Very low	33	Very low	61 Å²	61	108.1 Å²	108.1	50%	0.504	54%	0.538	S	S	.	.	H	α-helix	trans	-68.6	-41.8	177	0	0	0	0	0	111.8	C114 K121 K122	C114-A118 WeakPolarHBondContact O-CB 3.39Å; C114-A118 PolarHBondContact O-N 2.88Å; A118-K121 PolarHBondContact O-N 2.94Å; A118-K122 WeakPolarHBondContact O-CB 3.42Å; A118-K122 PolarHBondContact O-N 3.35Å
119	T	30.8	Very low	34.3	Very low	43 Å²	43	105.5 Å²	105.5	26%	0.264	52%	0.521	S	S	.	.	H	α-helix	trans	-68.4	-41.2	173.8	52.4	0	0	0	0	111.5	Y115 I116 K121 K122 H123	Y115-T119 VanDerWaalsContact O-CB 3.32Å; Y115-T119 WeakPolarHBondContact O-CB 3.26Å; Y115-T119 VanDerWaalsContact O-CG2 3.24Å; Y115-T119 WeakPolarHBondContact O-CG2 3.44Å; Y115-T119 PolarHBondContact O-N 3.47Å; Y115-T119 PolarHBondContact O-OG1 2.95Å; I116-T119 VanDerWaalsContact CA-OG1 3.29Å; I116-T119 WeakPolarHBondContact CA-OG1 3.5Å; I116-T119 PolarHBondContact O-OG1 3.09Å; T119-K121 PolarHBondContact O-N 2.89Å; T119-K122 PolarHBondContact O-N 3.34Å; T119-H123 VanDerWaalsContact C-CD2 3.49Å; T119-H123 VanDerWaalsContact O-CB 3.29Å; T119-H123 WeakPolarHBondContact O-CB 3.22Å; T119-H123 PolarHBondContact O-CD2 3.48Å; T119-H123 VanDerWaalsContact O-CG 3.22Å; T119-H123 PolarHBondContact O-N 3.5Å
120	K	34.1	Very low	35.6	Very low	106 Å²	106	100.2 Å²	100.2	46%	0.461	50%	0.5	S	S	.	.	H	α-helix	trans	-59.6	-41.6	172.1	-80.8	176.3	-179.8	177.9	0	112.5	I116 N124	I116-K120 HydrophobicContact CG2-CD 4.06Å; I116-K120 HydrophobicContact CG2-CG 4.39Å; I116-K120 WeakPolarHBondContact O-CB 3.36Å; I116-K120 WeakPolarHBondContact O-CG 3.44Å; I116-K120 PolarHBondContact O-N 3.14Å; K120-N124 WeakPolarHBondContact O-CB 3.32Å; K120-N124 PolarHBondContact O-N 2.82Å
121	K	37.3	Very low	36.7	Very low	166 Å²	166	99.5 Å²	99.5	72%	0.722	50%	0.496	S	S	*	.	H	α-helix	trans	-64.1	-43.8	173.7	-84.5	-173.4	176.3	-177.8	0	111.8	K117 A118 T119 L125	K117-K121 PolarHBondContact O-N 3.16Å; A118-K121 PolarHBondContact O-N 2.94Å; T119-K121 PolarHBondContact O-N 2.89Å; K121-L125 VanDerWaalsContact O-CB 3.24Å; K121-L125 WeakPolarHBondContact O-CB 3.43Å; K121-L125 PolarHBondContact O-N 3.24Å
122	K	40.2	Very low	37.8	Very low	125 Å²	125	96.4 Å²	96.4	54%	0.543	48%	0.478	S	S	.	.	H	α-helix	trans	-66.2	-40.5	178.4	-163.2	178.9	179.7	-170.8	0	111.7	A118 T119 L125 L126	A118-K122 WeakPolarHBondContact O-CB 3.42Å; A118-K122 PolarHBondContact O-N 3.35Å; T119-K122 PolarHBondContact O-N 3.34Å; K122-L125 PolarHBondContact O-N 2.91Å; K122-L126 WeakPolarHBondContact O-CB 3.34Å; K122-L126 PolarHBondContact O-N 2.96Å
123	H	41.7	Very low	39	Very low	44 Å²	44	94.5 Å²	94.5	20%	0.204	46%	0.464	C	S	.	.	H	α-helix	trans	-71	-40.5	176.2	-69.5	-50.8	0	0	0	112.5	E49 T119 L125 L126 L127	E49-H123 IonicContact OE2-CE1 3.55Å; T119-H123 VanDerWaalsContact C-CD2 3.49Å; T119-H123 VanDerWaalsContact O-CB 3.29Å; T119-H123 WeakPolarHBondContact O-CB 3.22Å; T119-H123 PolarHBondContact O-CD2 3.48Å; T119-H123 VanDerWaalsContact O-CG 3.22Å; T119-H123 PolarHBondContact O-N 3.5Å; H123-L125 VanDerWaalsContact C-N 3.32Å; H123-L126 PolarHBondContact O-N 3.26Å; H123-L127 VanDerWaalsContact O-CB 3.28Å; H123-L127 WeakPolarHBondContact O-CB 3.34Å; H123-L127 PolarHBondContact O-N 2.77Å
124	N	41.5	Very low	40.2	Very low	106 Å²	106	94.6 Å²	94.6	57%	0.567	46%	0.463	S	S	*	.	H	α-helix	trans	-65	-38.5	172.9	-75.5	-5.2	0	0	0	111.1	K120 L126 L127 Y128	K120-N124 WeakPolarHBondContact O-CB 3.32Å; K120-N124 PolarHBondContact O-N 2.82Å; N124-L126 VanDerWaalsContact C-N 3.35Å; N124-L127 PolarHBondContact O-N 3.47Å; N124-Y128 WeakPolarHBondContact O-CB 3.45Å; N124-Y128 PolarHBondContact O-N 3.23Å
125	L	47.9	Very low	41.3	Very low	95 Å²	95	95 Å²	95	50%	0.497	46%	0.457	S	S	.	.	H	α-helix	trans	-64.9	-40	173.5	-171.3	72.5	0	0	0	111.4	K121 K122 H123 K129	K121-L125 VanDerWaalsContact O-CB 3.24Å; K121-L125 WeakPolarHBondContact O-CB 3.43Å; K121-L125 PolarHBondContact O-N 3.24Å; K122-L125 PolarHBondContact O-N 2.91Å; H123-L125 VanDerWaalsContact C-N 3.32Å; L125-K129 WeakPolarHBondContact O-CB 3.33Å; L125-K129 VanDerWaalsContact O-CG 3.3Å; L125-K129 WeakPolarHBondContact O-CG 3.47Å; L125-K129 PolarHBondContact O-N 2.9Å
126	L	46.5	Very low	42.4	Very low	39 Å²	39	91.8 Å²	91.8	20%	0.204	45%	0.45	C	S	.	.	H	α-helix	trans	-68.1	-43	177.4	-134.4	109.7	0	0	0	111.8	L44 K122 H123 N124 K129 T130	L44-L126 HydrophobicContact CD1-CD2 4.08Å; L44-L126 HydrophobicContact CD2-CD2 3.74Å; L44-L126 HydrophobicContact CG-CD2 4.43Å; K122-L126 WeakPolarHBondContact O-CB 3.34Å; K122-L126 PolarHBondContact O-N 2.96Å; H123-L126 PolarHBondContact O-N 3.26Å; N124-L126 VanDerWaalsContact C-N 3.35Å; L126-K129 PolarHBondContact O-N 3.26Å; L126-T130 WeakPolarHBondContact O-CB 3.47Å; L126-T130 PolarHBondContact O-N 3.37Å; L126-T130 PolarHBondContact O-OG1 2.89Å
127	L	47.3	Very low	43.4	Very low	78 Å²	78	90.3 Å²	90.3	41%	0.408	45%	0.445	S	S	.	.	H	α-helix	trans	-62.4	-47.1	175.3	-168	89.4	0	0	0	110.3	H123 N124 K129 T130 I131	H123-L127 VanDerWaalsContact O-CB 3.28Å; H123-L127 WeakPolarHBondContact O-CB 3.34Å; H123-L127 PolarHBondContact O-N 2.77Å; N124-L127 PolarHBondContact O-N 3.47Å; L127-K129 PolarHBondContact O-N 2.85Å; L127-T130 WeakPolarHBondContact O-CB 3.22Å; L127-T130 PolarHBondContact O-N 3.29Å; L127-T130 VanDerWaalsContact O-N 3.1Å; L127-I131 HydrophobicContact CD2-CD1 4.17Å; L127-I131 HydrophobicContact CG-CD1 4.09Å; L127-I131 WeakPolarHBondContact O-CG1 3.37Å; L127-I131 PolarHBondContact O-N 3.49Å
128	Y	47.3	Very low	44.2	Very low	140 Å²	140	87.4 Å²	87.4	55%	0.549	44%	0.436	S	S	.	.	H	α-helix	trans	-60.5	-44.6	176.5	-176.4	-103.4	0	0	0	111.6	N124 T130 I131 Q132	N124-Y128 WeakPolarHBondContact O-CB 3.45Å; N124-Y128 PolarHBondContact O-N 3.23Å; Y128-T130 VanDerWaalsContact C-N 3.3Å; Y128-T130 PolarHBondContact O-N 2.92Å; Y128-I131 PolarHBondContact O-N 3.4Å; Y128-Q132 HydrophobicContact CD1-CG 4.26Å; Y128-Q132 HydrophobicContact CE1-CG 4.01Å; Y128-Q132 VanDerWaalsContact CZ-NE2 3.35Å; Y128-Q132 WeakPolarHBondContact O-CB 3.44Å; Y128-Q132 VanDerWaalsContact O-CG 3.31Å; Y128-Q132 WeakPolarHBondContact O-CG 3.46Å; Y128-Q132 PolarHBondContact O-N 3.32Å; Y128-Q132 PolarHBondContact OH-NE2 3.23Å
129	K	49.5	Very low	45.1	Very low	106 Å²	106	89.6 Å²	89.6	46%	0.461	44%	0.439	S	S	.	.	H	α-helix	trans	-61.2	-38.4	172.9	-78.3	-177.7	178.2	-173.9	0	112.2	L125 L126 L127 Q132 I133	L125-K129 WeakPolarHBondContact O-CB 3.33Å; L125-K129 VanDerWaalsContact O-CG 3.3Å; L125-K129 WeakPolarHBondContact O-CG 3.47Å; L125-K129 PolarHBondContact O-N 2.9Å; L126-K129 PolarHBondContact O-N 3.26Å; L127-K129 PolarHBondContact O-N 2.85Å; K129-Q132 PolarHBondContact O-N 3.29Å; K129-I133 WeakPolarHBondContact O-CD1 3.24Å; K129-I133 WeakPolarHBondContact O-CG1 3.34Å; K129-I133 PolarHBondContact O-N 2.69Å
130	T	48.8	Very low	45.9	Very low	58 Å²	58	91 Å²	91	36%	0.356	44%	0.441	S	S	.	.	H	α-helix	trans	-68	-44.7	178.1	-51.9	0	0	0	0	110.9	L126 L127 Y128 I133 I134	L126-T130 WeakPolarHBondContact O-CB 3.47Å; L126-T130 PolarHBondContact O-N 3.37Å; L126-T130 PolarHBondContact O-OG1 2.89Å; L127-T130 WeakPolarHBondContact O-CB 3.22Å; L127-T130 PolarHBondContact O-N 3.29Å; L127-T130 VanDerWaalsContact O-N 3.1Å; Y128-T130 VanDerWaalsContact C-N 3.3Å; Y128-T130 PolarHBondContact O-N 2.92Å; T130-I133 PolarHBondContact O-N 3.42Å; T130-I134 HydrophobicContact CG2-CD1 4.24Å; T130-I134 VanDerWaalsContact O-CG1 3.32Å; T130-I134 WeakPolarHBondContact O-CG1 3.36Å; T130-I134 PolarHBondContact O-N 3.33Å
131	I	49.7	Very low	46.3	Very low	87 Å²	87	89.5 Å²	89.5	45%	0.446	44%	0.438	S	S	.	.	H	α-helix	trans	-61.5	-43.6	174.3	-67.8	166.4	0	0	0	110.5	L127 Y128 I133 I134 M135	L127-I131 HydrophobicContact CD2-CD1 4.17Å; L127-I131 HydrophobicContact CG-CD1 4.09Å; L127-I131 WeakPolarHBondContact O-CG1 3.37Å; L127-I131 PolarHBondContact O-N 3.49Å; Y128-I131 PolarHBondContact O-N 3.4Å; I131-I133 VanDerWaalsContact C-N 3.35Å; I131-I133 PolarHBondContact O-N 3.41Å; I131-I134 PolarHBondContact O-N 2.86Å; I131-M135 HydrophobicContact CG2-CG 4.32Å; I131-M135 WeakPolarHBondContact O-CB 3.48Å; I131-M135 WeakPolarHBondContact O-CG 3.28Å; I131-M135 PolarHBondContact O-N 3.37Å
132	Q	48.5	Very low	46.4	Very low	82 Å²	82	89.4 Å²	89.4	38%	0.383	43%	0.434	S	S	.	.	H	α-helix	trans	-58.9	-44.7	175	-78.6	-176	-31	0	0	111.9	Y128 K129 I134 M135 I136	Y128-Q132 HydrophobicContact CD1-CG 4.26Å; Y128-Q132 HydrophobicContact CE1-CG 4.01Å; Y128-Q132 VanDerWaalsContact CZ-NE2 3.35Å; Y128-Q132 WeakPolarHBondContact O-CB 3.44Å; Y128-Q132 VanDerWaalsContact O-CG 3.31Å; Y128-Q132 WeakPolarHBondContact O-CG 3.46Å; Y128-Q132 PolarHBondContact O-N 3.32Å; Y128-Q132 PolarHBondContact OH-NE2 3.23Å; K129-Q132 PolarHBondContact O-N 3.29Å; Q132-I134 VanDerWaalsContact C-N 3.33Å; Q132-I134 PolarHBondContact O-N 2.79Å; Q132-M135 PolarHBondContact O-N 3.38Å; Q132-I136 WeakPolarHBondContact O-CB 3.18Å; Q132-I136 WeakPolarHBondContact O-CD1 3.35Å; Q132-I136 VanDerWaalsContact O-CG1 3.22Å; Q132-I136 WeakPolarHBondContact O-CG1 3.44Å; Q132-I136 PolarHBondContact O-N 2.84Å
133	I	50.9	Low	46.4	Very low	60 Å²	60	86.2 Å²	86.2	31%	0.308	43%	0.428	S	S	.	.	H	α-helix	trans	-62.8	-41.4	176.9	-68.2	162.9	0	0	0	110.9	L37 K129 T130 I131 I136 T137	L37-I133 HydrophobicContact CD1-CG2 4.15Å; L37-I133 HydrophobicContact CD2-CG2 3.88Å; L37-I133 HydrophobicContact CG-CG2 4.19Å; K129-I133 WeakPolarHBondContact O-CD1 3.24Å; K129-I133 WeakPolarHBondContact O-CG1 3.34Å; K129-I133 PolarHBondContact O-N 2.69Å; T130-I133 PolarHBondContact O-N 3.42Å; I131-I133 VanDerWaalsContact C-N 3.35Å; I131-I133 PolarHBondContact O-N 3.41Å; I133-I136 PolarHBondContact O-N 2.64Å; I133-T137 WeakPolarHBondContact O-CB 3.45Å; I133-T137 PolarHBondContact O-N 3.4Å; I133-T137 PolarHBondContact O-OG1 2.98Å
134	I	51.6	Low	46.3	Very low	92 Å²	92	85.7 Å²	85.7	47%	0.472	43%	0.427	S	S	.	.	H	α-helix	trans	-62.8	-47.3	176.1	-67.7	165.7	0	0	0	110.5	T130 I131 Q132 I136 T137 I138	T130-I134 HydrophobicContact CG2-CD1 4.24Å; T130-I134 VanDerWaalsContact O-CG1 3.32Å; T130-I134 WeakPolarHBondContact O-CG1 3.36Å; T130-I134 PolarHBondContact O-N 3.33Å; I131-I134 PolarHBondContact O-N 2.86Å; Q132-I134 VanDerWaalsContact C-N 3.33Å; Q132-I134 PolarHBondContact O-N 2.79Å; I134-I136 PolarHBondContact O-N 3.48Å; I134-T137 WeakPolarHBondContact O-CB 3.29Å; I134-T137 PolarHBondContact O-N 3.46Å; I134-T137 VanDerWaalsContact O-N 3.15Å; I134-I138 HydrophobicContact CG2-CD1 3.89Å; I134-I138 HydrophobicContact CG2-CG1 4.5Å; I134-I138 WeakPolarHBondContact O-CG1 3.17Å; I134-I138 PolarHBondContact O-N 3.33Å
135	M	47.1	Very low	45.9	Very low	102 Å²	102	84.4 Å²	84.4	50%	0.502	42%	0.422	S	S	.	.	H	α-helix	trans	-61	-44.8	177.7	-74	-63.1	-69	0	0	112.3	I131 Q132 T137 I138 L139	I131-M135 HydrophobicContact CG2-CG 4.32Å; I131-M135 WeakPolarHBondContact O-CB 3.48Å; I131-M135 WeakPolarHBondContact O-CG 3.28Å; I131-M135 PolarHBondContact O-N 3.37Å; Q132-M135 PolarHBondContact O-N 3.38Å; M135-T137 VanDerWaalsContact C-N 3.27Å; M135-T137 PolarHBondContact O-N 2.91Å; M135-I138 PolarHBondContact O-N 3.49Å; M135-L139 WeakPolarHBondContact O-CB 3.26Å; M135-L139 WeakPolarHBondContact O-CG 3.38Å; M135-L139 PolarHBondContact O-N 2.84Å
136	I	48.6	Very low	45.1	Very low	105 Å²	105	86.1 Å²	86.1	54%	0.538	42%	0.423	S	S	.	.	H	α-helix	trans	-60.2	-40.8	175	-69.5	164.8	0	0	0	110.3	Q132 I133 I134 L139 F140	Q132-I136 WeakPolarHBondContact O-CB 3.18Å; Q132-I136 WeakPolarHBondContact O-CD1 3.35Å; Q132-I136 VanDerWaalsContact O-CG1 3.22Å; Q132-I136 WeakPolarHBondContact O-CG1 3.44Å; Q132-I136 PolarHBondContact O-N 2.84Å; I133-I136 PolarHBondContact O-N 2.64Å; I134-I136 PolarHBondContact O-N 3.48Å; I136-L139 PolarHBondContact O-N 2.9Å; I136-F140 VanDerWaalsContact O-CB 3.26Å; I136-F140 WeakPolarHBondContact O-CB 3.27Å; I136-F140 PolarHBondContact O-N 3.47Å
137	T	47.6	Very low	44.5	Very low	45 Å²	45	88.6 Å²	88.6	28%	0.276	44%	0.435	S	S	.	.	H	α-helix	trans	-67	-41	179.2	-53	0	0	0	0	111.8	I133 I134 M135 N141	I133-T137 WeakPolarHBondContact O-CB 3.45Å; I133-T137 PolarHBondContact O-N 3.4Å; I133-T137 PolarHBondContact O-OG1 2.98Å; I134-T137 WeakPolarHBondContact O-CB 3.29Å; I134-T137 PolarHBondContact O-N 3.46Å; I134-T137 VanDerWaalsContact O-N 3.15Å; M135-T137 VanDerWaalsContact C-N 3.27Å; M135-T137 PolarHBondContact O-N 2.91Å; T137-N141 WeakPolarHBondContact O-CB 3.26Å; T137-N141 VanDerWaalsContact O-CG 3.31Å; T137-N141 PolarHBondContact O-N 3.44Å; T137-N141 PolarHBondContact O-ND2 3.46Å
138	I	44.9	Very low	43.9	Very low	96 Å²	96	88.5 Å²	88.5	49%	0.492	44%	0.435	S	S	.	.	H	α-helix	trans	-63.9	-49.1	175.1	-67.6	167.7	0	0	0	110.3	I134 M135 F140 N141 Y142	I134-I138 HydrophobicContact CG2-CD1 3.89Å; I134-I138 HydrophobicContact CG2-CG1 4.5Å; I134-I138 WeakPolarHBondContact O-CG1 3.17Å; I134-I138 PolarHBondContact O-N 3.33Å; M135-I138 PolarHBondContact O-N 3.49Å; I138-F140 PolarHBondContact O-N 3.48Å; I138-N141 PolarHBondContact O-N 3.34Å; I138-Y142 WeakPolarHBondContact O-CB 3.24Å; I138-Y142 PolarHBondContact O-N 3.06Å
139	L	45.4	Very low	43.1	Very low	106 Å²	106	88.6 Å²	88.6	56%	0.555	44%	0.438	S	S	*	.	H	α-helix	trans	-59	-46.9	178.1	-77.3	167	0	0	0	111.1	M135 I136 N141 Y142 S143	M135-L139 WeakPolarHBondContact O-CB 3.26Å; M135-L139 WeakPolarHBondContact O-CG 3.38Å; M135-L139 PolarHBondContact O-N 2.84Å; I136-L139 PolarHBondContact O-N 2.9Å; L139-N141 PolarHBondContact O-N 3.34Å; L139-Y142 WeakPolarHBondContact O-CB 3.39Å; L139-Y142 PolarHBondContact O-N 2.93Å; L139-Y142 VanDerWaalsContact O-N 3.16Å; L139-S143 PolarHBondContact O-N 3.5Å; L139-S143 PolarHBondContact O-OG 3.48Å
140	F	47.4	Very low	42.2	Very low	72 Å²	72	85.1 Å²	85.1	32%	0.316	42%	0.424	S	S	.	.	H	α-helix	trans	-65.2	-39.7	180	-158	-100.8	0	0	0	112.3	F29 I136 I138 Y142 S143 I144	F29-F140 HydrophobicContact CB-CE1 4.29Å; F29-F140 HydrophobicContact CB-CZ 4.32Å; F29-F140 HydrophobicContact CG-CZ 4.47Å; I136-F140 VanDerWaalsContact O-CB 3.26Å; I136-F140 WeakPolarHBondContact O-CB 3.27Å; I136-F140 PolarHBondContact O-N 3.47Å; I138-F140 PolarHBondContact O-N 3.48Å; F140-Y142 VanDerWaalsContact C-N 3.34Å; F140-S143 PolarHBondContact O-N 2.9Å; F140-I144 HydrophobicContact CD1-CD1 3.52Å; F140-I144 HydrophobicContact CD1-CG1 4.2Å; F140-I144 HydrophobicContact CE1-CD1 3.6Å; F140-I144 HydrophobicContact CE1-CG1 4.23Å; F140-I144 VanDerWaalsContact O-CG1 3.27Å; F140-I144 WeakPolarHBondContact O-CG1 3.44Å; F140-I144 PolarHBondContact O-N 3.44Å
141	N	43	Very low	41.4	Very low	76 Å²	76	83.8 Å²	83.8	41%	0.406	42%	0.415	S	S	.	.	H	α-helix	trans	-63.2	-41.2	172.6	-78.2	-31	0	0	0	111.5	T137 I138 L139 I144 V145	T137-N141 WeakPolarHBondContact O-CB 3.26Å; T137-N141 VanDerWaalsContact O-CG 3.31Å; T137-N141 PolarHBondContact O-N 3.44Å; T137-N141 PolarHBondContact O-ND2 3.46Å; I138-N141 PolarHBondContact O-N 3.34Å; L139-N141 PolarHBondContact O-N 3.34Å; N141-I144 PolarHBondContact O-N 2.87Å; N141-V145 VanDerWaalsContact O-CG2 3.32Å; N141-V145 WeakPolarHBondContact O-CG2 3.42Å; N141-V145 PolarHBondContact O-N 2.83Å
142	Y	40.1	Very low	40.4	Very low	163 Å²	163	83.2 Å²	83.2	64%	0.639	42%	0.418	S	S	*	.	H	α-helix	trans	-62.8	-44.2	175.3	-167	-92.3	0	0	0	111.1	I138 L139 F140 I144 V145 Y146	I138-Y142 WeakPolarHBondContact O-CB 3.24Å; I138-Y142 PolarHBondContact O-N 3.06Å; L139-Y142 WeakPolarHBondContact O-CB 3.39Å; L139-Y142 PolarHBondContact O-N 2.93Å; L139-Y142 VanDerWaalsContact O-N 3.16Å; F140-Y142 VanDerWaalsContact C-N 3.34Å; Y142-I144 VanDerWaalsContact C-N 3.35Å; Y142-I144 PolarHBondContact O-N 3.32Å; Y142-V145 PolarHBondContact O-N 3.01Å; Y142-Y146 VanDerWaalsContact O-CB 3.26Å; Y142-Y146 WeakPolarHBondContact O-CB 3.31Å; Y142-Y146 PolarHBondContact O-N 3.07Å
143	S	40.3	Very low	39.5	Very low	59 Å²	59	83.4 Å²	83.4	41%	0.413	42%	0.42	S	S	.	.	H	α-helix	trans	-59.6	-42.9	174.7	-46.3	0	0	0	0	112.1	L139 F140 Y146 M147	L139-S143 PolarHBondContact O-N 3.5Å; L139-S143 PolarHBondContact O-OG 3.48Å; F140-S143 PolarHBondContact O-N 2.9Å; S143-Y146 PolarHBondContact O-N 3.46Å; S143-M147 VanDerWaalsContact O-CB 3.28Å; S143-M147 WeakPolarHBondContact O-CB 3.44Å; S143-M147 WeakPolarHBondContact O-CG 3.48Å; S143-M147 PolarHBondContact O-N 3.3Å
144	I	38.2	Very low	38.5	Very low	33 Å²	33	83.2 Å²	83.2	17%	0.169	42%	0.42	C	S	.	.	H	α-helix	trans	-64.9	-45.8	177.7	-70.8	166	0	0	0	110.9	T26 F140 N141 Y142 Y146 M147 N148	T26-I144 HydrophobicContact CG2-CD1 4.24Å; T26-I144 HydrophobicContact CG2-CG1 4.02Å; F140-I144 HydrophobicContact CD1-CD1 3.52Å; F140-I144 HydrophobicContact CD1-CG1 4.2Å; F140-I144 HydrophobicContact CE1-CD1 3.6Å; F140-I144 HydrophobicContact CE1-CG1 4.23Å; F140-I144 VanDerWaalsContact O-CG1 3.27Å; F140-I144 WeakPolarHBondContact O-CG1 3.44Å; F140-I144 PolarHBondContact O-N 3.44Å; N141-I144 PolarHBondContact O-N 2.87Å; Y142-I144 VanDerWaalsContact C-N 3.35Å; Y142-I144 PolarHBondContact O-N 3.32Å; I144-Y146 VanDerWaalsContact C-N 3.31Å; I144-Y146 PolarHBondContact O-N 2.84Å; I144-M147 PolarHBondContact O-N 2.82Å; I144-N148 VanDerWaalsContact O-CB 3.24Å; I144-N148 WeakPolarHBondContact O-CB 3.36Å; I144-N148 VanDerWaalsContact O-CG 3.28Å; I144-N148 PolarHBondContact O-N 3.31Å
145	V	32.5	Very low	37.5	Very low	79 Å²	79	80.6 Å²	80.6	48%	0.479	41%	0.412	S	S	.	.	H	α-helix	trans	-63.9	-40.8	178.7	171.7	0	0	0	0	110.6	N141 Y142 K149	N141-V145 VanDerWaalsContact O-CG2 3.32Å; N141-V145 WeakPolarHBondContact O-CG2 3.42Å; N141-V145 PolarHBondContact O-N 2.83Å; Y142-V145 PolarHBondContact O-N 3.01Å; V145-K149 HydrophobicContact CG1-CD 4.48Å; V145-K149 WeakPolarHBondContact O-CB 3.26Å; V145-K149 WeakPolarHBondContact O-CG 3.41Å; V145-K149 PolarHBondContact O-N 3.27Å
146	Y	32.1	Very low	36.7	Very low	130 Å²	130	81.7 Å²	81.7	51%	0.51	42%	0.417	S	S	.	.	H	α-helix	trans	-66.4	-47.4	177.8	-168	-95.5	0	0	0	112	Y142 S143 I144 N148 K149 N150	Y142-Y146 VanDerWaalsContact O-CB 3.26Å; Y142-Y146 WeakPolarHBondContact O-CB 3.31Å; Y142-Y146 PolarHBondContact O-N 3.07Å; S143-Y146 PolarHBondContact O-N 3.46Å; I144-Y146 VanDerWaalsContact C-N 3.31Å; I144-Y146 PolarHBondContact O-N 2.84Å; Y146-N148 PolarHBondContact O-N 3.01Å; Y146-K149 PolarHBondContact O-N 3.49Å; Y146-N150 WeakPolarHBondContact CE1-ND2 3.16Å; Y146-N150 PolarHBondContact O-N 2.87Å
147	M	34.9	Very low	36	Very low	92 Å²	92	82.3 Å²	82.3	45%	0.453	42%	0.418	S	S	.	.	H	α-helix	trans	-61.6	-43.4	175.2	-71.6	-76.9	-88	0	0	111.4	S143 I144 K149 N150 L151	S143-M147 VanDerWaalsContact O-CB 3.28Å; S143-M147 WeakPolarHBondContact O-CB 3.44Å; S143-M147 WeakPolarHBondContact O-CG 3.48Å; S143-M147 PolarHBondContact O-N 3.3Å; I144-M147 PolarHBondContact O-N 2.82Å; M147-K149 PolarHBondContact O-N 3.3Å; M147-N150 PolarHBondContact O-N 2.74Å; M147-L151 HydrophobicContact CB-CD1 4.43Å; M147-L151 VanDerWaalsContact O-CB 3.22Å; M147-L151 WeakPolarHBondContact O-CB 3.35Å; M147-L151 VanDerWaalsContact O-CD1 3.32Å; M147-L151 WeakPolarHBondContact O-CD1 3.38Å; M147-L151 WeakPolarHBondContact O-CG 3.29Å; M147-L151 PolarHBondContact O-N 2.9Å
148	N	32.8	Very low	35.2	Very low	75 Å²	75	82.2 Å²	82.2	40%	0.401	42%	0.415	S	S	.	.	H	α-helix	trans	-65.2	-37.8	177.1	-79.5	-13.7	0	0	0	112.6	I144 Y146 C152	I144-N148 VanDerWaalsContact O-CB 3.24Å; I144-N148 WeakPolarHBondContact O-CB 3.36Å; I144-N148 VanDerWaalsContact O-CG 3.28Å; I144-N148 PolarHBondContact O-N 3.31Å; Y146-N148 PolarHBondContact O-N 3.01Å; N148-C152 VanDerWaalsContact O-CB 3.26Å; N148-C152 WeakPolarHBondContact O-CB 3.15Å; N148-C152 PolarHBondContact O-N 3.09Å
149	K	30.5	Very low	34.5	Very low	142 Å²	142	82.6 Å²	82.6	62%	0.617	42%	0.415	S	S	*	.	H	α-helix	trans	-64.5	-47.4	175	-81.7	-174.9	175.9	-171.8	0	111.2	V145 Y146 M147 C152 I153	V145-K149 HydrophobicContact CG1-CD 4.48Å; V145-K149 WeakPolarHBondContact O-CB 3.26Å; V145-K149 WeakPolarHBondContact O-CG 3.41Å; V145-K149 PolarHBondContact O-N 3.27Å; Y146-K149 PolarHBondContact O-N 3.49Å; M147-K149 PolarHBondContact O-N 3.3Å; K149-C152 PolarHBondContact O-N 2.8Å; K149-I153 VanDerWaalsContact O-CG1 3.31Å; K149-I153 WeakPolarHBondContact O-CG1 3.25Å; K149-I153 PolarHBondContact O-N 3.21Å; K149-I153 VanDerWaalsContact O-N 3.13Å
150	N	31.5	Very low	33.8	Very low	33 Å²	33	84 Å²	84	18%	0.176	42%	0.419	C	S	.	.	H	α-helix	trans	-69.3	-39.4	-178.9	-69.8	0.4	0	0	0	112.2	Y146 M147 C152 I153 D154	Y146-N150 WeakPolarHBondContact CE1-ND2 3.16Å; Y146-N150 PolarHBondContact O-N 2.87Å; M147-N150 PolarHBondContact O-N 2.74Å; N150-C152 VanDerWaalsContact C-N 3.32Å; N150-C152 PolarHBondContact O-N 3.21Å; N150-I153 PolarHBondContact O-N 3.42Å; N150-D154 PolarHBondContact O-N 2.77Å
151	L	31.3	Very low	33.2	Very low	31 Å²	31	85.6 Å²	85.6	16%	0.162	43%	0.434	C	S	.	.	H	α-helix	trans	-65.2	-34.1	175.2	-75.5	160.9	0	0	0	112.5	Y15 M147 A155	Y15-L151 PolarHBondContact OH-O 3.06Å; Y15-L151 VanDerWaalsContact OH-O 3.08Å; M147-L151 HydrophobicContact CB-CD1 4.43Å; M147-L151 VanDerWaalsContact O-CB 3.22Å; M147-L151 WeakPolarHBondContact O-CB 3.35Å; M147-L151 VanDerWaalsContact O-CD1 3.32Å; M147-L151 WeakPolarHBondContact O-CD1 3.38Å; M147-L151 WeakPolarHBondContact O-CG 3.29Å; M147-L151 PolarHBondContact O-N 2.9Å; L151-A155 WeakPolarHBondContact O-CB 3.43Å; L151-A155 PolarHBondContact O-N 2.89Å
152	C	29	Very low	32.7	Very low	74 Å²	74	86.4 Å²	86.4	50%	0.5	44%	0.437	S	S	.	.	H	α-helix	trans	-68.6	-38.2	175.1	-162.3	0	0	0	0	111.8	N148 K149 N150 M156	N148-C152 VanDerWaalsContact O-CB 3.26Å; N148-C152 WeakPolarHBondContact O-CB 3.15Å; N148-C152 PolarHBondContact O-N 3.09Å; K149-C152 PolarHBondContact O-N 2.8Å; N150-C152 VanDerWaalsContact C-N 3.32Å; N150-C152 PolarHBondContact O-N 3.21Å; C152-M156 WeakPolarHBondContact O-CG 3.41Å; C152-M156 PolarHBondContact O-N 2.78Å
153	I	30.5	Very low	32.3	Very low	86 Å²	86	84.1 Å²	84.1	44%	0.441	44%	0.436	S	S	.	.	H	α-helix	trans	-65.8	-45.4	175.4	-67.6	164.8	0	0	0	110.5	K149 N150 A155 M156 H157	K149-I153 VanDerWaalsContact O-CG1 3.31Å; K149-I153 WeakPolarHBondContact O-CG1 3.25Å; K149-I153 PolarHBondContact O-N 3.21Å; K149-I153 VanDerWaalsContact O-N 3.13Å; N150-I153 PolarHBondContact O-N 3.42Å; I153-A155 PolarHBondContact O-N 3.45Å; I153-M156 PolarHBondContact O-N 3.04Å; I153-H157 PolarHBondContact O-CD2 3.37Å; I153-H157 PolarHBondContact O-N 3.47Å
154	D	29.9	Very low	31.7	Very low	57 Å²	57	85.2 Å²	85.2	31%	0.305	44%	0.443	S	S	.	.	H	α-helix	trans	-63.6	-39.4	176.9	-76	-19.1	0	0	0	112.2	N150 H157 L158	N150-D154 PolarHBondContact O-N 2.77Å; D154-H157 PolarHBondContact O-N 2.76Å; D154-L158 WeakPolarHBondContact O-CB 3.36Å; D154-L158 PolarHBondContact O-N 2.93Å
155	A	29.4	Very low	31.1	Very low	36 Å²	36	88.6 Å²	88.6	30%	0.298	47%	0.467	S	S	.	.	H	α-helix	trans	-66.8	-36.8	176	0	0	0	0	0	112.6	Y15 L151 I153 H159	Y15-A155 HydrophobicContact CE1-CB 4.33Å; L151-A155 WeakPolarHBondContact O-CB 3.43Å; L151-A155 PolarHBondContact O-N 2.89Å; I153-A155 PolarHBondContact O-N 3.45Å; A155-H159 PolarHBondContact O-N 3.02Å; A155-H159 VanDerWaalsContact O-N 3.14Å
156	M	31.5	Very low	30.9	Very low	125 Å²	125	93.5 Å²	93.5	62%	0.616	49%	0.49	S	S	*	.	H	α-helix	trans	-68.4	-41.2	173.7	-80	-170.4	169.4	0	0	112	C152 I153 L158 H159 H160	C152-M156 WeakPolarHBondContact O-CG 3.41Å; C152-M156 PolarHBondContact O-N 2.78Å; I153-M156 PolarHBondContact O-N 3.04Å; M156-L158 VanDerWaalsContact C-N 3.34Å; M156-L158 PolarHBondContact O-N 3.19Å; M156-H159 WeakPolarHBondContact O-CB 3.3Å; M156-H159 PolarHBondContact O-N 3.26Å; M156-H160 PolarHBondContact O-CD2 2.92Å; M156-H160 PolarHBondContact O-N 3.26Å
157	H	32.5	Very low	30.8	Very low	118 Å²	118	92.4 Å²	92.4	55%	0.546	50%	0.501	S	S	.	.	H	α-helix	trans	-64.7	-37.2	176.1	-90.1	-67.2	0	0	0	112.7	I153 D154 H159 H160 T161	I153-H157 PolarHBondContact O-CD2 3.37Å; I153-H157 PolarHBondContact O-N 3.47Å; D154-H157 PolarHBondContact O-N 2.76Å; H157-H159 VanDerWaalsContact C-N 3.35Å; H157-H160 PolarHBondContact O-N 3.13Å; H157-T161 PolarHBondContact O-N 3.05Å; H157-T161 PolarHBondContact O-OG1 3.31Å
158	L	31.1	Very low	30.3	Very low	43 Å²	43	96.7 Å²	96.7	23%	0.225	52%	0.52	C	S	.	.	H	α-helix	trans	-64.7	-39.3	173.9	-147.6	86.4	0	0	0	111.6	Y11 Y12 D154 M156 T161 I162	Y11-L158 HydrophobicContact CE1-CD1 4.14Å; Y12-L158 HydrophobicContact CD2-CD2 4.44Å; D154-L158 WeakPolarHBondContact O-CB 3.36Å; D154-L158 PolarHBondContact O-N 2.93Å; M156-L158 VanDerWaalsContact C-N 3.34Å; M156-L158 PolarHBondContact O-N 3.19Å; L158-T161 WeakPolarHBondContact CA-OG1 3.2Å; L158-T161 PolarHBondContact O-N 3.28Å; L158-T161 PolarHBondContact O-OG1 2.92Å; L158-I162 HydrophobicContact CD2-CD1 3.97Å; L158-I162 HydrophobicContact CG-CD1 3.88Å; L158-I162 WeakPolarHBondContact O-CB 3.43Å; L158-I162 WeakPolarHBondContact O-CD1 3.24Å; L158-I162 WeakPolarHBondContact O-CG1 3.13Å; L158-I162 PolarHBondContact O-N 2.86Å
159	H	31.2	Very low	30	Very low	105 Å²	105	104.3 Å²	104.3	49%	0.486	54%	0.543	S	S	.	.	H	α-helix	trans	-64.8	-39.7	175.5	-126.5	-76.4	0	0	0	111.5	A155 M156 H157 L163	A155-H159 PolarHBondContact O-N 3.02Å; A155-H159 VanDerWaalsContact O-N 3.14Å; M156-H159 WeakPolarHBondContact O-CB 3.3Å; M156-H159 PolarHBondContact O-N 3.26Å; H157-H159 VanDerWaalsContact C-N 3.35Å; H159-L163 WeakPolarHBondContact CE1-CD1 3.44Å; H159-L163 WeakPolarHBondContact ND1-CD1 3.29Å; H159-L163 WeakPolarHBondContact O-CB 3.35Å; H159-L163 PolarHBondContact O-N 3.43Å
160	H	30.7	Very low	29.7	Very low	136 Å²	136	101.8 Å²	101.8	63%	0.63	54%	0.544	S	S	*	.	H	α-helix	trans	-71.2	-30.8	176.6	-85	-68.3	0	0	0	113.9	M156 H157 S164	M156-H160 PolarHBondContact O-CD2 2.92Å; M156-H160 PolarHBondContact O-N 3.26Å; H157-H160 PolarHBondContact O-N 3.13Å; H160-S164 WeakPolarHBondContact O-CB 3.22Å; H160-S164 PolarHBondContact O-N 3.35Å; H160-S164 PolarHBondContact O-OG 2.85Å
161	T	33.8	Very low	29.4	Very low	105 Å²	105	106.9 Å²	106.9	64%	0.644	57%	0.57	S	S	*	*	H	α-helix	trans	-78.6	-30.4	175	23.8	0	0	0	0	113.1	H157 L158	H157-T161 PolarHBondContact O-N 3.05Å; H157-T161 PolarHBondContact O-OG1 3.31Å; L158-T161 WeakPolarHBondContact CA-OG1 3.2Å; L158-T161 PolarHBondContact O-N 3.28Å; L158-T161 PolarHBondContact O-OG1 2.92Å
162	I	32.9	Very low	29.1	Very low	92 Å²	92	112.7 Å²	112.7	47%	0.472	60%	0.601	S	S	.	*	H	α-helix	trans	-84.6	-29	-180	-65.4	168.2	0	0	0	112.4	L158	L158-I162 HydrophobicContact CD2-CD1 3.97Å; L158-I162 HydrophobicContact CG-CD1 3.88Å; L158-I162 WeakPolarHBondContact O-CB 3.43Å; L158-I162 WeakPolarHBondContact O-CD1 3.24Å; L158-I162 WeakPolarHBondContact O-CG1 3.13Å; L158-I162 PolarHBondContact O-N 2.86Å
163	L	31.4	Very low	29.2	Very low	116 Å²	116	114.5 Å²	114.5	61%	0.607	61%	0.614	S	S	*	*	S	Bend	trans	-103	3.6	178.8	-79.1	134.6	0	0	0	114.7	H159 P165	H159-L163 WeakPolarHBondContact CE1-CD1 3.44Å; H159-L163 WeakPolarHBondContact ND1-CD1 3.29Å; H159-L163 WeakPolarHBondContact O-CB 3.35Å; H159-L163 PolarHBondContact O-N 3.43Å; L163-P165 VanDerWaalsContact O-CD 3.23Å; L163-P165 WeakPolarHBondContact O-CD 3.21Å; L163-P165 VanDerWaalsContact O-N 3.08Å
164	S	27.1	Very low	28.9	Very low	81 Å²	81	119.1 Å²	119.1	57%	0.566	63%	0.634	S	S	*	*	S	Bend	trans	-64.4	110.6	164	-74	0	0	0	0	107.5	H160 L166	H160-S164 WeakPolarHBondContact O-CB 3.22Å; H160-S164 PolarHBondContact O-N 3.35Å; H160-S164 PolarHBondContact O-OG 2.85Å; S164-L166 PolarHBondContact O-N 3.01Å
165	P	27.2	Very low	28.7	Very low	105 Å²	105	122.4 Å²	122.4	68%	0.682	66%	0.656	S	S	*	*			trans	-65.2	142.6	-173.8	14.6	-8.3	0	0	0	108.1	L163 S167	L163-P165 VanDerWaalsContact O-CD 3.23Å; L163-P165 WeakPolarHBondContact O-CD 3.21Å; L163-P165 VanDerWaalsContact O-N 3.08Å; P165-S167 PolarHBondContact O-N 2.96Å
166	L	28.3	Very low	28.6	Very low	182 Å²	182	129.3 Å²	129.3	95%	0.953	68%	0.684	S	S	*	*			trans	-33.8	81.3	154.2	-69.3	145	0	0	0	111.2	S164	S164-L166 PolarHBondContact O-N 3.01Å
167	S	28.6	Very low	28.3	Very low	106 Å²	106	133.5 Å²	133.5	74%	0.741	70%	0.7	S	S	*	*			trans	-100.9	92.7	170	64	0	0	0	0	106.8	P165	P165-S167 PolarHBondContact O-N 2.96Å
168	E	25.2	Very low	27.9	Very low	183 Å²	183	136.8 Å²	136.8	86%	0.855	72%	0.715	S	S	*	*			trans	15.2	111.3	144.9	-64	177.5	160.4	0	0	117.1
169	R	25.7	Very low	27.7	Very low	234 Å²	234	140 Å²	140	88%	0.883	74%	0.741	S	S	*	*			trans	153.8	105.1	136	-91.9	171.3	170.9	177.9	-2.7	108.6
170	S	24.1	Very low	27.3	Very low	90 Å²	90	142 Å²	142	63%	0.629	76%	0.756	S	S	*	*				105.5	127.8	69.6	67.6	0	0	0	0	109.6
171	I	26.7	Very low	27.1	Very low	140 Å²	140	140.7 Å²	140.7	72%	0.718	76%	0.761	S	S	*	*			trans	89.7	103	149.9	-55.1	149.7	0	0	0	116.8
172	N	25.1	Very low	26.7	Very low	153 Å²	153	140.7 Å²	140.7	82%	0.818	77%	0.766	S	S	*	*				39.5	104.6	126.9	-49.7	-11.6	0	0	0	118.2
173	S	30.2	Very low	26.4	Very low	111 Å²	111	142.5 Å²	142.5	78%	0.776	78%	0.781	S	S	*	*			trans	-159.9	111.5	132.2	57.9	0	0	0	0	109.2
174	E	23.5	Very low	26.3	Very low	184 Å²	184	144.2 Å²	144.2	86%	0.86	79%	0.789	S	S	*	*			trans	-47.7	139.3	156	-66.2	167.2	144.1	0	0	109.7
175	T	26.8	Very low	26.3	Very low	126 Å²	126	144.5 Å²	144.5	77%	0.773	79%	0.79	S	S	*	*				-178.9	126.7	128.9	26.2	0	0	0	0	111.7
176	M	26.3	Very low	26.4	Very low	180 Å²	180	146 Å²	146	89%	0.887	80%	0.797	S	S	*	*			trans	75	78	145.1	-62.8	178.7	123	0	0	118.5
177	F	26.3	Very low	26.5	Very low	214 Å²	214	146.5 Å²	146.5	94%	0.939	79%	0.787	S	S	*	*			trans	-80.2	108.6	135.5	-93.4	-93.3	0	0	0	107.8
178	E	23.4	Very low	26.5	Very low	186 Å²	186	150.3 Å²	150.3	87%	0.869	79%	0.791	S	S	*	*			trans	179.9	115.3	148.8	-104.4	168.4	-164.1	0	0	109.4
179	S	26.4	Very low	26.9	Very low	110 Å²	110	147 Å²	147	77%	0.769	78%	0.778	S	S	*	*			trans	-176.8	101.7	141.5	29.9	0	0	0	0	110
180	D	24.1	Very low	27.2	Very low	149 Å²	149	143.1 Å²	143.1	80%	0.797	78%	0.775	S	S	*	*				66.3	97.5	124.7	-57.2	-18.8	0	0	0	120.3
181	S	25.7	Very low	27.8	Very low	107 Å²	107	140.7 Å²	140.7	75%	0.748	76%	0.758	S	S	*	*				7	119.1	127.9	60.6	0	0	0	0	117.8
182	S	26	Very low	28.1	Very low	105 Å²	105	138.1 Å²	138.1	73%	0.734	75%	0.75	S	S	*	*				171.6	138.7	106.5	48.3	0	0	0	0	109.7
183	T	27.2	Very low	28.5	Very low	130 Å²	130	132.8 Å²	132.8	80%	0.798	72%	0.723	S	S	*	*			trans	73.8	62.1	172.9	67.2	0	0	0	0	117.7	P185	T183-P185 VanDerWaalsContact O-CD 3.28Å; T183-P185 WeakPolarHBondContact O-CD 3.32Å
184	I	28.1	Very low	28.7	Very low	152 Å²	152	131.2 Å²	131.2	78%	0.779	71%	0.708	S	S	*	*			trans	-68	115.8	154.6	-60.3	173.7	0	0	0	106.8	T186	I184-T186 PolarHBondContact O-N 3.41Å
185	P	26.8	Very low	29.2	Very low	88 Å²	88	130.1 Å²	130.1	57%	0.571	70%	0.701	S	S	*	*			trans	-65.7	132.2	177.2	-7	21.5	0	0	0	108.3	T183 Y187	T183-P185 VanDerWaalsContact O-CD 3.28Å; T183-P185 WeakPolarHBondContact O-CD 3.32Å; P185-Y187 HydrophobicContact CB-CD2 3.85Å; P185-Y187 HydrophobicContact CB-CE2 4.16Å; P185-Y187 PolarHBondContact O-N 3Å
186	T	29.5	Very low	29.5	Very low	136 Å²	136	126.9 Å²	126.9	83%	0.834	68%	0.678	S	S	*	*			trans	-65.8	46.4	176.6	22.8	0	0	0	0	113.3	I184 F188	I184-T186 PolarHBondContact O-N 3.41Å; T186-F188 PolarHBondContact O-N 2.89Å
187	Y	30.1	Very low	29.8	Very low	192 Å²	192	123.1 Å²	123.1	75%	0.753	66%	0.662	S	S	*	*			trans	-89.7	52.2	159.9	-63.3	-75.1	0	0	0	109.6	P185 I189	P185-Y187 HydrophobicContact CB-CD2 3.85Å; P185-Y187 HydrophobicContact CB-CE2 4.16Å; P185-Y187 PolarHBondContact O-N 3Å; Y187-I189 HydrophobicContact CD1-CD1 4.49Å; Y187-I189 PolarHBondContact O-N 3.18Å
188	F	29.3	Very low	30.3	Very low	186 Å²	186	122 Å²	122	82%	0.816	66%	0.656	S	S	*	*			trans	-69.5	67.7	152.4	-87.9	-83.9	0	0	0	107.4	T186 N190	T186-F188 PolarHBondContact O-N 2.89Å; F188-N190 PolarHBondContact O-N 3.15Å; F188-N190 VanDerWaalsContact O-N 3.07Å
189	I	32.9	Very low	30.9	Very low	115 Å²	115	115 Å²	115	59%	0.59	63%	0.626	S	S	*	*			trans	-65.6	112.3	165	-62.4	174.7	0	0	0	104.2	Y187 S191	Y187-I189 HydrophobicContact CD1-CD1 4.49Å; Y187-I189 PolarHBondContact O-N 3.18Å; I189-S191 PolarHBondContact O-N 2.82Å
190	N	33.3	Very low	31.3	Very low	152 Å²	152	113.1 Å²	113.1	81%	0.813	61%	0.613	S	S	*	*			trans	-52.8	78.5	163.2	-81.8	-41.5	0	0	0	108.9	F188	F188-N190 PolarHBondContact O-N 3.15Å; F188-N190 VanDerWaalsContact O-N 3.07Å
191	S	35.2	Very low	32.3	Very low	39 Å²	39	114.3 Å²	114.3	27%	0.273	61%	0.611	S	S	.	*			trans	-64.6	134.2	178.1	172.7	0	0	0	0	107.5	I189 V193 V194	I189-S191 PolarHBondContact O-N 2.82Å; S191-V193 PolarHBondContact O-N 3.06Å; S191-V193 PolarHBondContact OG-N 2.91Å; S191-V194 PolarHBondContact O-N 3.18Å
192	P	33.7	Very low	33.3	Very low	86 Å²	86	116.6 Å²	116.6	56%	0.558	62%	0.615	S	S	*	*	H	α-helix	trans	-50.4	-23.5	173.9	-24.3	31.8	0	0	0	113.1	L196	P192-L196 PolarHBondContact O-N 3.01Å
193	V	33.5	Very low	34.2	Very low	41 Å²	41	117.2 Å²	117.2	25%	0.248	60%	0.604	C	S	.	*	H	α-helix	trans	-73.6	-29.7	179.1	-172.8	0	0	0	0	112.7	Y13 S191 K195 L196 L197	Y13-V193 HydrophobicContact CE1-CG2 3.99Å; S191-V193 PolarHBondContact O-N 3.06Å; S191-V193 PolarHBondContact OG-N 2.91Å; V193-K195 VanDerWaalsContact C-N 3.35Å; V193-L196 WeakPolarHBondContact O-CB 3.28Å; V193-L196 PolarHBondContact O-N 3.42Å; V193-L197 PolarHBondContact O-N 3.5Å
194	V	33.9	Very low	34.7	Very low	77 Å²	77	116.1 Å²	116.1	47%	0.467	59%	0.59	S	S	.	*	H	α-helix	trans	-73.6	-29.3	176.8	179.3	0	0	0	0	111.3	S191 L196	S191-V194 PolarHBondContact O-N 3.18Å; V194-L196 VanDerWaalsContact C-N 3.29Å
195	K	35.2	Very low	35.2	Very low	161 Å²	161	115.7 Å²	115.7	70%	0.7	59%	0.585	S	S	*	*	H	α-helix	trans	-69	-27.1	169.4	-91	180	173.4	178.3	0	112.9	V193 T199	V193-K195 VanDerWaalsContact C-N 3.35Å; K195-T199 PolarHBondContact O-OG1 3.08Å
196	L	32.6	Very low	36	Very low	58 Å²	58	115.1 Å²	115.1	30%	0.304	58%	0.58	S	S	.	*	H	α-helix	trans	-71.7	-29.6	179.4	-125.4	143.7	0	0	0	113.4	P192 V193 V194 T199 Y207	P192-L196 PolarHBondContact O-N 3.01Å; V193-L196 WeakPolarHBondContact O-CB 3.28Å; V193-L196 PolarHBondContact O-N 3.42Å; V194-L196 VanDerWaalsContact C-N 3.29Å; L196-T199 VanDerWaalsContact C-OG1 3.25Å; L196-T199 WeakPolarHBondContact CA-OG1 3.15Å; L196-T199 PolarHBondContact O-OG1 3.23Å; L196-Y207 HydrophobicContact CB-CE1 4.29Å; L196-Y207 HydrophobicContact CD1-CD1 3.34Å; L196-Y207 HydrophobicContact CD1-CE1 3.52Å; L196-Y207 HydrophobicContact CD1-CG 4.01Å; L196-Y207 HydrophobicContact CD2-CD1 3.74Å; L196-Y207 HydrophobicContact CD2-CD2 3.75Å; L196-Y207 HydrophobicContact CD2-CE1 4.23Å; L196-Y207 HydrophobicContact CD2-CE2 4.24Å; L196-Y207 HydrophobicContact CD2-CG 3.45Å; L196-Y207 VanDerWaalsContact CD2-CG 3.45Å; L196-Y207 HydrophobicContact CG-CD1 3.28Å; L196-Y207 HydrophobicContact CG-CD2 3.85Å; L196-Y207 HydrophobicContact CG-CE1 3.33Å; L196-Y207 HydrophobicContact CG-CE2 3.89Å; L196-Y207 HydrophobicContact CG-CG 3.53Å
197	L	33.7	Very low	36.3	Very low	102 Å²	102	111.5 Å²	111.5	53%	0.534	55%	0.551	S	S	.	*	H	α-helix	trans	-85.2	-18.8	-177.7	-71.6	164	0	0	0	113.4	V193	V193-L197 PolarHBondContact O-N 3.5Å
198	K	35.5	Very low	36.7	Very low	191 Å²	191	108.4 Å²	108.4	83%	0.83	55%	0.547	S	S	*	.	S	Bend	trans	-90.2	-2.4	173.9	-72.6	-172.2	175.7	-176.5	0	113.3
199	T	37.4	Very low	37.2	Very low	37 Å²	37	105.2 Å²	105.2	23%	0.227	54%	0.539	C	S	.	.	S	Bend	trans	-92.9	129.7	-175.4	10.3	0	0	0	0	110.5	K195 L196 K203 Y207	K195-T199 PolarHBondContact O-OG1 3.08Å; L196-T199 VanDerWaalsContact C-OG1 3.25Å; L196-T199 WeakPolarHBondContact CA-OG1 3.15Å; L196-T199 PolarHBondContact O-OG1 3.23Å; T199-K203 HydrophobicContact CG2-CB 4.34Å; T199-K203 HydrophobicContact CG2-CD 3.77Å; T199-Y207 HydrophobicContact CG2-CE2 3.99Å; T199-Y207 VanDerWaalsContact OG1-CE2 3.24Å; T199-Y207 WeakPolarHBondContact OG1-CE2 3.24Å
200	S	33.5	Very low	37.9	Very low	72 Å²	72	102.6 Å²	102.6	50%	0.503	53%	0.526	S	S	.	.			trans	-52.2	145.9	-179.4	63.4	0	0	0	0	111.6	N202 K203	S200-N202 PolarHBondContact O-N 3.03Å; S200-K203 PolarHBondContact O-N 3.4Å
201	K	45.8	Very low	38	Very low	173 Å²	173	96.8 Å²	96.8	75%	0.752	50%	0.502	S	S	*	.	G	3₁₀ helix	trans	-44.9	-31.8	178.9	-72.5	-179.2	175.4	-179.6	0	114.1	K203 Q204	K201-K203 PolarHBondContact O-N 2.9Å; K201-K203 VanDerWaalsContact O-N 3.15Å; K201-Q204 WeakPolarHBondContact O-CB 2.93Å; K201-Q204 PolarHBondContact O-N 2.85Å
202	N	46.3	Very low	38.2	Very low	155 Å²	155	100.3 Å²	100.3	83%	0.829	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-69.7	-6.1	177.5	-63.9	0.2	0	0	0	115.4	S200	S200-N202 PolarHBondContact O-N 3.03Å
203	K	45	Very low	38.8	Very low	118 Å²	118	101.5 Å²	101.5	51%	0.513	52%	0.515	S	S	.	.	G	3₁₀ helix	trans	-105.9	0.9	174.6	-72.2	-178.2	174.7	-178.9	0	113.3	T199 S200 K201 Q205 T206 Y207	T199-K203 HydrophobicContact CG2-CB 4.34Å; T199-K203 HydrophobicContact CG2-CD 3.77Å; S200-K203 PolarHBondContact O-N 3.4Å; K201-K203 PolarHBondContact O-N 2.9Å; K201-K203 VanDerWaalsContact O-N 3.15Å; K203-Q205 VanDerWaalsContact C-N 3.33Å; K203-Q205 PolarHBondContact O-N 3.45Å; K203-T206 PolarHBondContact O-N 3.38Å; K203-T206 PolarHBondContact O-OG1 3.47Å; K203-Y207 WeakPolarHBondContact O-CD2 3.3Å; K203-Y207 PolarHBondContact O-N 3.42Å
204	Q	37.7	Very low	39.5	Very low	108 Å²	108	102.3 Å²	102.3	51%	0.505	52%	0.518	S	S	.	.	H	α-helix	trans	-66.7	-33.1	-179.7	-75.2	178.4	-29.1	0	0	112.6	K201 T206 Y207 L208	K201-Q204 WeakPolarHBondContact O-CB 2.93Å; K201-Q204 PolarHBondContact O-N 2.85Å; Q204-T206 VanDerWaalsContact C-N 3.35Å; Q204-T206 PolarHBondContact O-N 3.32Å; Q204-Y207 WeakPolarHBondContact O-CB 3.14Å; Q204-Y207 PolarHBondContact O-N 2.92Å; Q204-Y207 VanDerWaalsContact O-N 3.09Å; Q204-L208 PolarHBondContact O-N 3.45Å
205	Q	39.5	Very low	39.8	Very low	142 Å²	142	102.4 Å²	102.4	66%	0.664	51%	0.513	S	S	*	.	H	α-helix	trans	-62.8	-41.8	174.3	-143.5	82.8	12.4	0	0	111.6	K203 Y207 L208 D209	K203-Q205 VanDerWaalsContact C-N 3.33Å; K203-Q205 PolarHBondContact O-N 3.45Å; Q205-Y207 PolarHBondContact O-N 3.33Å; Q205-L208 WeakPolarHBondContact O-CB 3.48Å; Q205-L208 PolarHBondContact O-N 2.86Å; Q205-L208 VanDerWaalsContact O-N 3.14Å; Q205-D209 PolarHBondContact O-N 3.08Å; Q205-D209 VanDerWaalsContact O-N 3.09Å
206	T	41.9	Very low	40.5	Very low	76 Å²	76	99.3 Å²	99.3	47%	0.466	51%	0.505	S	S	.	.	H	α-helix	trans	-64	-26.5	175.4	-19.2	0	0	0	0	111.7	K203 Q204 N210	K203-T206 PolarHBondContact O-N 3.38Å; K203-T206 PolarHBondContact O-OG1 3.47Å; Q204-T206 VanDerWaalsContact C-N 3.35Å; Q204-T206 PolarHBondContact O-N 3.32Å; T206-N210 WeakPolarHBondContact O-CB 3.31Å; T206-N210 PolarHBondContact O-N 3.48Å; T206-N210 PolarHBondContact O-ND2 2.89Å
207	Y	36.8	Very low	41.4	Very low	60 Å²	60	102.7 Å²	102.7	24%	0.235	52%	0.517	C	S	.	.	H	α-helix	trans	-81.3	-29.2	174.4	-86.1	-69.1	0	0	0	114.5	L196 T199 K203 Q204 Q205 N210 G211	L196-Y207 HydrophobicContact CB-CE1 4.29Å; L196-Y207 HydrophobicContact CD1-CD1 3.34Å; L196-Y207 HydrophobicContact CD1-CE1 3.52Å; L196-Y207 HydrophobicContact CD1-CG 4.01Å; L196-Y207 HydrophobicContact CD2-CD1 3.74Å; L196-Y207 HydrophobicContact CD2-CD2 3.75Å; L196-Y207 HydrophobicContact CD2-CE1 4.23Å; L196-Y207 HydrophobicContact CD2-CE2 4.24Å; L196-Y207 HydrophobicContact CD2-CG 3.45Å; L196-Y207 VanDerWaalsContact CD2-CG 3.45Å; L196-Y207 HydrophobicContact CG-CD1 3.28Å; L196-Y207 HydrophobicContact CG-CD2 3.85Å; L196-Y207 HydrophobicContact CG-CE1 3.33Å; L196-Y207 HydrophobicContact CG-CE2 3.89Å; L196-Y207 HydrophobicContact CG-CG 3.53Å; T199-Y207 HydrophobicContact CG2-CE2 3.99Å; T199-Y207 VanDerWaalsContact OG1-CE2 3.24Å; T199-Y207 WeakPolarHBondContact OG1-CE2 3.24Å; K203-Y207 WeakPolarHBondContact O-CD2 3.3Å; K203-Y207 PolarHBondContact O-N 3.42Å; Q204-Y207 WeakPolarHBondContact O-CB 3.14Å; Q204-Y207 PolarHBondContact O-N 2.92Å; Q204-Y207 VanDerWaalsContact O-N 3.09Å; Q205-Y207 PolarHBondContact O-N 3.33Å; Y207-N210 HydrophobicContact CD1-CB 4.33Å; Y207-N210 CarbonylContact O-C 3.06Å; Y207-N210 PolarHBondContact O-N 3.33Å; Y207-G211 PolarHBondContact O-N 3.23Å
208	L	37.3	Very low	42.2	Very low	127 Å²	127	99 Å²	99	67%	0.665	50%	0.498	S	S	*	.	H	α-helix	trans	-65.2	-42.1	168.9	-95.5	134.9	0	0	0	111	Q204 Q205 N210 G211	Q204-L208 PolarHBondContact O-N 3.45Å; Q205-L208 WeakPolarHBondContact O-CB 3.48Å; Q205-L208 PolarHBondContact O-N 2.86Å; Q205-L208 VanDerWaalsContact O-N 3.14Å; L208-N210 VanDerWaalsContact C-N 3.34Å; L208-G211 WeakPolarHBondContact O-CA 3.09Å; L208-G211 PolarHBondContact O-N 2.87Å
209	D	40.4	Very low	42.6	Very low	120 Å²	120	93 Å²	93	64%	0.642	47%	0.474	S	S	*	.	H	α-helix	trans	-67.8	-34.3	172.2	-68.7	-26.5	0	0	0	112	Q205 G211	Q205-D209 PolarHBondContact O-N 3.08Å; Q205-D209 VanDerWaalsContact O-N 3.09Å; D209-G211 PolarHBondContact O-N 3.03Å
210	N	47.1	Very low	43.4	Very low	60 Å²	60	97.8 Å²	97.8	32%	0.321	49%	0.494	S	S	.	.	H	α-helix	trans	-69	-14.8	167.1	-70.6	-31.2	0	0	0	113	T206 Y207 L208 L212 Q213 L214	T206-N210 WeakPolarHBondContact O-CB 3.31Å; T206-N210 PolarHBondContact O-N 3.48Å; T206-N210 PolarHBondContact O-ND2 2.89Å; Y207-N210 HydrophobicContact CD1-CB 4.33Å; Y207-N210 CarbonylContact O-C 3.06Å; Y207-N210 PolarHBondContact O-N 3.33Å; L208-N210 VanDerWaalsContact C-N 3.34Å; N210-L212 VanDerWaalsContact C-N 3.33Å; N210-Q213 CarbonylContact O-C 3.41Å; N210-Q213 PolarHBondContact O-N 3.01Å; N210-L214 VanDerWaalsContact O-CB 3.25Å; N210-L214 WeakPolarHBondContact O-CB 3.35Å; N210-L214 PolarHBondContact O-N 3Å
211	G	36.8	Very low	44.2	Very low	30 Å²	30	101.7 Å²	101.7	31%	0.309	50%	0.497	S	S	.	.	H	α-helix	trans	-63.8	-39.8	177.2	0	0	0	0	0	111.5	Y207 L208 D209 L214 E215	Y207-G211 PolarHBondContact O-N 3.23Å; L208-G211 WeakPolarHBondContact O-CA 3.09Å; L208-G211 PolarHBondContact O-N 2.87Å; D209-G211 PolarHBondContact O-N 3.03Å; G211-L214 WeakPolarHBondContact O-CB 3.46Å; G211-L214 PolarHBondContact O-N 3.14Å; G211-E215 WeakPolarHBondContact O-CB 3.37Å; G211-E215 PolarHBondContact O-N 2.7Å
212	L	38.9	Very low	44.5	Very low	113 Å²	113	94 Å²	94	59%	0.592	47%	0.465	S	S	*	.	H	α-helix	trans	-68.4	-38.4	173.8	-159	82.5	0	0	0	111.7	N210 L214 E215 N216	N210-L212 VanDerWaalsContact C-N 3.33Å; L212-L214 VanDerWaalsContact C-N 3.32Å; L212-E215 PolarHBondContact O-N 2.99Å; L212-N216 WeakPolarHBondContact O-CB 3.41Å; L212-N216 PolarHBondContact O-N 3Å; L212-N216 PolarHBondContact O-ND2 3.45Å
213	Q	46.2	Very low	44.7	Very low	111 Å²	111	88.7 Å²	88.7	52%	0.519	44%	0.439	S	S	.	.	H	α-helix	trans	-66.8	-35.1	172.4	-67.7	-169.7	4.7	0	0	112.1	N210 K217	N210-Q213 CarbonylContact O-C 3.41Å; N210-Q213 PolarHBondContact O-N 3.01Å; Q213-K217 WeakPolarHBondContact O-CB 3.46Å; Q213-K217 VanDerWaalsContact O-CG 3.31Å; Q213-K217 WeakPolarHBondContact O-CG 3.23Å; Q213-K217 PolarHBondContact O-N 3.27Å
214	L	47	Very low	45.1	Very low	58 Å²	58	86 Å²	86	30%	0.304	44%	0.436	S	S	.	.	H	α-helix	trans	-68.4	-44.5	176.6	-167.6	73.8	0	0	0	109.9	N210 G211 L212 N216 K217 V218	N210-L214 VanDerWaalsContact O-CB 3.25Å; N210-L214 WeakPolarHBondContact O-CB 3.35Å; N210-L214 PolarHBondContact O-N 3Å; G211-L214 WeakPolarHBondContact O-CB 3.46Å; G211-L214 PolarHBondContact O-N 3.14Å; L212-L214 VanDerWaalsContact C-N 3.32Å; L214-N216 PolarHBondContact O-N 3.42Å; L214-K217 PolarHBondContact O-N 3.46Å; L214-V218 WeakPolarHBondContact O-CB 3.35Å; L214-V218 WeakPolarHBondContact O-CG2 3.27Å; L214-V218 PolarHBondContact O-N 3.4Å
215	E	42.1	Very low	45.7	Very low	79 Å²	79	82.2 Å²	82.2	37%	0.369	42%	0.419	S	S	.	.	H	α-helix	trans	-60.9	-44.8	174.8	-167.2	174.6	-167.3	0	0	111	Y24 G211 L212 K217 V218 M219	Y24-E215 PolarHBondContact OH-OE1 3.48Å; G211-E215 WeakPolarHBondContact O-CB 3.37Å; G211-E215 PolarHBondContact O-N 2.7Å; L212-E215 PolarHBondContact O-N 2.99Å; E215-K217 PolarHBondContact O-N 2.91Å; E215-V218 PolarHBondContact O-N 3.35Å; E215-M219 WeakPolarHBondContact O-CB 3.36Å; E215-M219 VanDerWaalsContact O-CG 3.22Å; E215-M219 WeakPolarHBondContact O-CG 3.17Å; E215-M219 PolarHBondContact O-N 3.4Å
216	N	49	Very low	46.4	Very low	96 Å²	96	78 Å²	78	51%	0.513	40%	0.398	S	S	.	.	H	α-helix	trans	-63	-40.4	174.4	-77.1	-29.8	0	0	0	112.8	L212 L214 M219 Q220	L212-N216 WeakPolarHBondContact O-CB 3.41Å; L212-N216 PolarHBondContact O-N 3Å; L212-N216 PolarHBondContact O-ND2 3.45Å; L214-N216 PolarHBondContact O-N 3.42Å; N216-M219 PolarHBondContact O-N 3.46Å; N216-Q220 WeakPolarHBondContact O-CB 3.44Å; N216-Q220 WeakPolarHBondContact O-CG 3.49Å; N216-Q220 PolarHBondContact O-N 2.94Å
217	K	52.3	Low	47.1	Very low	129 Å²	129	82.4 Å²	82.4	56%	0.561	41%	0.413	S	S	*	.	H	α-helix	trans	-66.4	-40.7	174.7	-80.5	178.1	-179.6	175.8	0	112.1	Q213 L214 E215 M219 Q220 R221	Q213-K217 WeakPolarHBondContact O-CB 3.46Å; Q213-K217 VanDerWaalsContact O-CG 3.31Å; Q213-K217 WeakPolarHBondContact O-CG 3.23Å; Q213-K217 PolarHBondContact O-N 3.27Å; L214-K217 PolarHBondContact O-N 3.46Å; E215-K217 PolarHBondContact O-N 2.91Å; K217-M219 VanDerWaalsContact C-N 3.34Å; K217-Q220 PolarHBondContact O-N 3.18Å; K217-R221 VanDerWaalsContact O-CB 3.29Å; K217-R221 WeakPolarHBondContact O-CB 3.27Å; K217-R221 PolarHBondContact O-N 2.91Å
218	V	49.3	Very low	48.3	Very low	24 Å²	24	83.5 Å²	83.5	15%	0.145	42%	0.423	C	S	.	.	H	α-helix	trans	-63.5	-43.8	174.5	169.7	0	0	0	0	109.4	Y17 L214 E215 Q220 R221 I222	Y17-V218 HydrophobicContact CE2-CG1 4.27Å; Y17-V218 HydrophobicContact CE2-CG2 3.78Å; L214-V218 WeakPolarHBondContact O-CB 3.35Å; L214-V218 WeakPolarHBondContact O-CG2 3.27Å; L214-V218 PolarHBondContact O-N 3.4Å; E215-V218 PolarHBondContact O-N 3.35Å; V218-Q220 PolarHBondContact O-N 2.91Å; V218-R221 PolarHBondContact O-N 2.65Å; V218-I222 HydrophobicContact CG1-CD1 3.61Å; V218-I222 HydrophobicContact CG1-CG1 4.21Å; V218-I222 WeakPolarHBondContact O-CB 3.31Å; V218-I222 WeakPolarHBondContact O-CG1 3.41Å; V218-I222 PolarHBondContact O-N 3.47Å
219	M	45.1	Very low	49.3	Very low	65 Å²	65	85.3 Å²	85.3	32%	0.32	43%	0.426	S	S	.	.	H	α-helix	trans	-62.9	-41.5	175.6	-75.5	-67.2	-86.7	0	0	112.7	Y24 E215 N216 K217 S223	Y24-M219 HydrophobicContact CD1-CE 3.81Å; Y24-M219 HydrophobicContact CD1-SD 3.61Å; Y24-M219 HydrophobicContact CD2-SD 4.29Å; Y24-M219 HydrophobicContact CE1-CE 3.83Å; Y24-M219 HydrophobicContact CE1-SD 3.86Å; Y24-M219 HydrophobicContact CE2-SD 4.49Å; Y24-M219 HydrophobicContact CG-SD 3.85Å; E215-M219 WeakPolarHBondContact O-CB 3.36Å; E215-M219 VanDerWaalsContact O-CG 3.22Å; E215-M219 WeakPolarHBondContact O-CG 3.17Å; E215-M219 PolarHBondContact O-N 3.4Å; N216-M219 PolarHBondContact O-N 3.46Å; K217-M219 VanDerWaalsContact C-N 3.34Å; M219-S223 VanDerWaalsContact O-CB 3.28Å; M219-S223 WeakPolarHBondContact O-CB 3.49Å; M219-S223 PolarHBondContact O-N 2.99Å; M219-S223 PolarHBondContact O-OG 2.95Å
220	Q	53.4	Low	50.6	Low	138 Å²	138	86 Å²	86	65%	0.645	42%	0.423	S	S	*	.	H	α-helix	trans	-62.8	-43.7	173.2	-77.7	177	-13.9	0	0	111.4	N216 K217 V218 S223 S224	N216-Q220 WeakPolarHBondContact O-CB 3.44Å; N216-Q220 WeakPolarHBondContact O-CG 3.49Å; N216-Q220 PolarHBondContact O-N 2.94Å; K217-Q220 PolarHBondContact O-N 3.18Å; V218-Q220 PolarHBondContact O-N 2.91Å; Q220-S223 WeakPolarHBondContact O-CB 3.4Å; Q220-S223 PolarHBondContact O-N 3.35Å; Q220-S224 PolarHBondContact O-N 2.91Å; Q220-S224 PolarHBondContact O-OG 3.38Å
221	R	50.6	Low	51	Low	153 Å²	153	84 Å²	84	58%	0.577	42%	0.415	S	S	*	.	H	α-helix	trans	-69.6	-39.9	-179.2	-161.1	173.2	-175.8	-169.9	-3.1	112.4	K217 V218 S223 S224 I225	K217-R221 VanDerWaalsContact O-CB 3.29Å; K217-R221 WeakPolarHBondContact O-CB 3.27Å; K217-R221 PolarHBondContact O-N 2.91Å; V218-R221 PolarHBondContact O-N 2.65Å; R221-S223 VanDerWaalsContact C-N 3.34Å; R221-S224 WeakPolarHBondContact CA-OG 3.35Å; R221-S224 PolarHBondContact O-N 3.45Å; R221-S224 PolarHBondContact O-OG 2.92Å; R221-I225 HydrophobicContact CG-CD1 4.25Å; R221-I225 WeakPolarHBondContact O-CB 3.35Å; R221-I225 WeakPolarHBondContact O-CD1 3.31Å; R221-I225 WeakPolarHBondContact O-CG1 3.49Å; R221-I225 PolarHBondContact O-N 3.13Å
222	I	51.1	Low	51.9	Low	13 Å²	13	85.7 Å²	85.7	7%	0.067	42%	0.416	C	S	.	.	H	α-helix	trans	-61.3	-45.5	171.2	-71.1	169.5	0	0	0	109.8	I21 V218 S224 I225 F226	I21-I222 HydrophobicContact CB-CD1 4.49Å; I21-I222 HydrophobicContact CG1-CD1 3.96Å; I21-I222 HydrophobicContact CG1-CG1 4.48Å; V218-I222 HydrophobicContact CG1-CD1 3.61Å; V218-I222 HydrophobicContact CG1-CG1 4.21Å; V218-I222 WeakPolarHBondContact O-CB 3.31Å; V218-I222 WeakPolarHBondContact O-CG1 3.41Å; V218-I222 PolarHBondContact O-N 3.47Å; I222-S224 VanDerWaalsContact C-N 3.31Å; I222-S224 PolarHBondContact O-N 3.44Å; I222-I225 PolarHBondContact O-N 2.94Å; I222-F226 HydrophobicContact CG2-CD2 3.63Å; I222-F226 HydrophobicContact CG2-CE2 3.59Å; I222-F226 VanDerWaalsContact O-CD2 3.24Å; I222-F226 WeakPolarHBondContact O-CD2 3.41Å; I222-F226 PolarHBondContact O-N 3.26Å
223	S	50.6	Low	53	Low	42 Å²	42	85.7 Å²	85.7	29%	0.294	41%	0.413	S	S	.	.	H	α-helix	trans	-61.7	-39.3	178.3	-59	0	0	0	0	112	M219 Q220 R221 Q227	M219-S223 VanDerWaalsContact O-CB 3.28Å; M219-S223 WeakPolarHBondContact O-CB 3.49Å; M219-S223 PolarHBondContact O-N 2.99Å; M219-S223 PolarHBondContact O-OG 2.95Å; Q220-S223 WeakPolarHBondContact O-CB 3.4Å; Q220-S223 PolarHBondContact O-N 3.35Å; R221-S223 VanDerWaalsContact C-N 3.34Å; S223-Q227 WeakPolarHBondContact O-CG 3.35Å
224	S	54.8	Low	53.9	Low	62 Å²	62	84 Å²	84	43%	0.434	41%	0.408	S	S	.	.	H	α-helix	trans	-70.1	-38.5	175.1	63	0	0	0	0	112.1	Q220 R221 I222 F226 Q227 D228	Q220-S224 PolarHBondContact O-N 2.91Å; Q220-S224 PolarHBondContact O-OG 3.38Å; R221-S224 WeakPolarHBondContact CA-OG 3.35Å; R221-S224 PolarHBondContact O-N 3.45Å; R221-S224 PolarHBondContact O-OG 2.92Å; I222-S224 VanDerWaalsContact C-N 3.31Å; I222-S224 PolarHBondContact O-N 3.44Å; S224-F226 VanDerWaalsContact C-N 3.33Å; S224-F226 PolarHBondContact O-N 2.94Å; S224-Q227 PolarHBondContact O-N 3.45Å; S224-D228 PolarHBondContact O-N 3.36Å
225	I	49.7	Very low	54.6	Low	29 Å²	29	82.9 Å²	82.9	15%	0.149	40%	0.402	C	S	.	.	H	α-helix	trans	-61.4	-42.4	178.5	-72.2	161.5	0	0	0	111	R221 I222 Q227 D228 A231 I232 L235	R221-I225 HydrophobicContact CG-CD1 4.25Å; R221-I225 WeakPolarHBondContact O-CB 3.35Å; R221-I225 WeakPolarHBondContact O-CD1 3.31Å; R221-I225 WeakPolarHBondContact O-CG1 3.49Å; R221-I225 PolarHBondContact O-N 3.13Å; I222-I225 PolarHBondContact O-N 2.94Å; I225-Q227 VanDerWaalsContact C-N 3.25Å; I225-Q227 PolarHBondContact O-N 2.99Å; I225-D228 PolarHBondContact O-N 3.37Å; I225-D228 VanDerWaalsContact O-O 3.07Å; I225-A231 HydrophobicContact CB-CB 4.16Å; I225-A231 HydrophobicContact CG1-CB 4.03Å; I225-A231 HydrophobicContact CG2-CB 4.25Å; I225-I232 HydrophobicContact CG2-CG1 4.26Å; I225-I232 VanDerWaalsContact O-CG1 3.3Å; I225-I232 WeakPolarHBondContact O-CG1 3.4Å; I225-L235 HydrophobicContact CG2-CB 4.43Å; I225-L235 HydrophobicContact CG2-CD2 4.16Å
226	F	53.7	Low	55.7	Low	52 Å²	52	83.7 Å²	83.7	23%	0.228	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-5.7	-178.8	-75.4	-62.3	0	0	0	115.1	A25 F29 I222 S224 I232	A25-F226 HydrophobicContact CB-CE2 3.73Å; A25-F226 HydrophobicContact CB-CZ 3.58Å; F29-F226 HydrophobicContact CD2-CE1 4.41Å; F29-F226 AromaticContact CE2-CD1 3.82Å; F29-F226 HydrophobicContact CE2-CD1 3.82Å; F29-F226 AromaticContact CE2-CE1 3.39Å; F29-F226 HydrophobicContact CE2-CE1 3.39Å; F29-F226 AromaticContact CE2-CZ 3.94Å; F29-F226 HydrophobicContact CE2-CZ 3.94Å; F29-F226 HydrophobicContact CZ-CD1 4.02Å; F29-F226 AromaticContact CZ-CE1 3.93Å; F29-F226 HydrophobicContact CZ-CE1 3.93Å; I222-F226 HydrophobicContact CG2-CD2 3.63Å; I222-F226 HydrophobicContact CG2-CE2 3.59Å; I222-F226 VanDerWaalsContact O-CD2 3.24Å; I222-F226 WeakPolarHBondContact O-CD2 3.41Å; I222-F226 PolarHBondContact O-N 3.26Å; S224-F226 VanDerWaalsContact C-N 3.33Å; S224-F226 PolarHBondContact O-N 2.94Å; F226-I232 HydrophobicContact CD1-CD1 4.34Å
227	Q	57.5	Low	56.5	Low	169 Å²	169	88.3 Å²	88.3	79%	0.79	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-21.7	174.8	-70.8	177.6	12.6	0	0	112.8	S223 S224 I225	S223-Q227 WeakPolarHBondContact O-CG 3.35Å; S224-Q227 PolarHBondContact O-N 3.45Å; I225-Q227 VanDerWaalsContact C-N 3.25Å; I225-Q227 PolarHBondContact O-N 2.99Å
228	D	61.1	Low	57.1	Low	83 Å²	83	86.8 Å²	86.8	44%	0.444	41%	0.413	S	S	.	.			trans	-116.2	118.9	-176.6	-172.1	-9	0	0	0	111.3	S224 I225 K230 A231 I232	S224-D228 PolarHBondContact O-N 3.36Å; I225-D228 PolarHBondContact O-N 3.37Å; I225-D228 VanDerWaalsContact O-O 3.07Å; D228-K230 PolarHBondContact O-N 3.3Å; D228-K230 WeakPolarHBondContact OD1-CB 3.36Å; D228-K230 PolarHBondContact OD1-N 3.37Å; D228-A231 HydrophobicContact CB-CB 3.97Å; D228-A231 PolarHBondContact O-N 2.95Å; D228-I232 PolarHBondContact O-N 2.94Å
229	K	59.1	Low	57.6	Low	165 Å²	165	87.9 Å²	87.9	72%	0.717	42%	0.418	S	S	*	.	H	α-helix	trans	-55.7	-34.2	176.9	-174.7	-179	177.9	-174.9	0	111.8	Q233	K229-Q233 WeakPolarHBondContact O-CG 3.5Å; K229-Q233 PolarHBondContact O-N 2.98Å
230	K	67.1	Low	58.1	Low	134 Å²	134	89.1 Å²	89.1	58%	0.583	43%	0.426	S	S	*	.	H	α-helix	trans	-66.9	-42.6	178	-171.8	178.1	178.4	-177.6	0	111.1	D228 I232 Q233 D234	D228-K230 PolarHBondContact O-N 3.3Å; D228-K230 WeakPolarHBondContact OD1-CB 3.36Å; D228-K230 PolarHBondContact OD1-N 3.37Å; K230-I232 VanDerWaalsContact C-N 3.32Å; K230-I232 PolarHBondContact O-N 3.43Å; K230-Q233 WeakPolarHBondContact O-CB 3.44Å; K230-Q233 PolarHBondContact O-N 3.48Å; K230-Q233 VanDerWaalsContact O-N 3.08Å; K230-D234 PolarHBondContact O-N 3.03Å
231	A	56	Low	58.4	Low	20 Å²	20	85 Å²	85	17%	0.165	42%	0.415	C	S	.	.	H	α-helix	trans	-66.9	-32.8	179.7	0	0	0	0	0	112.8	I225 D228 D234 L235	I225-A231 HydrophobicContact CB-CB 4.16Å; I225-A231 HydrophobicContact CG1-CB 4.03Å; I225-A231 HydrophobicContact CG2-CB 4.25Å; D228-A231 HydrophobicContact CB-CB 3.97Å; D228-A231 PolarHBondContact O-N 2.95Å; A231-D234 PolarHBondContact O-N 3.49Å; A231-L235 WeakPolarHBondContact O-CB 3.06Å; A231-L235 PolarHBondContact O-N 3.43Å
232	I	56	Low	58.7	Low	64 Å²	64	79.3 Å²	79.3	33%	0.328	39%	0.394	S	S	.	.	H	α-helix	trans	-64.4	-42.6	170.4	-61.2	179.5	0	0	0	110.8	I225 F226 D228 K230 L235 L236	I225-I232 HydrophobicContact CG2-CG1 4.26Å; I225-I232 VanDerWaalsContact O-CG1 3.3Å; I225-I232 WeakPolarHBondContact O-CG1 3.4Å; F226-I232 HydrophobicContact CD1-CD1 4.34Å; D228-I232 PolarHBondContact O-N 2.94Å; K230-I232 VanDerWaalsContact C-N 3.32Å; K230-I232 PolarHBondContact O-N 3.43Å; I232-L235 PolarHBondContact O-N 3.35Å; I232-L236 HydrophobicContact CG2-CD1 4.26Å; I232-L236 WeakPolarHBondContact O-CG 3.47Å; I232-L236 PolarHBondContact O-N 2.96Å
233	Q	62	Low	58.8	Low	113 Å²	113	82.3 Å²	82.3	53%	0.528	41%	0.405	S	S	.	.	H	α-helix	trans	-64.2	-41.7	177.6	-72.1	177.9	-29.7	0	0	111.8	K229 K230 L236 R237	K229-Q233 WeakPolarHBondContact O-CG 3.5Å; K229-Q233 PolarHBondContact O-N 2.98Å; K230-Q233 WeakPolarHBondContact O-CB 3.44Å; K230-Q233 PolarHBondContact O-N 3.48Å; K230-Q233 VanDerWaalsContact O-N 3.08Å; Q233-L236 PolarHBondContact O-N 3.22Å; Q233-R237 WeakPolarHBondContact O-CB 3.44Å; Q233-R237 PolarHBondContact O-N 2.66Å
234	D	64.8	Low	59.1	Low	76 Å²	76	87.4 Å²	87.4	41%	0.406	43%	0.428	S	S	.	.	H	α-helix	trans	-63.7	-42.4	176.9	-69	-24.4	0	0	0	111.3	K230 A231 L236 R237 E238	K230-D234 PolarHBondContact O-N 3.03Å; A231-D234 PolarHBondContact O-N 3.49Å; D234-L236 PolarHBondContact O-N 2.68Å; D234-R237 WeakPolarHBondContact O-CB 3.21Å; D234-R237 PolarHBondContact O-N 3.07Å; D234-R237 VanDerWaalsContact O-N 3.13Å; D234-E238 PolarHBondContact O-N 2.84Å
235	L	62.5	Low	59	Low	34 Å²	34	89.3 Å²	89.3	18%	0.178	44%	0.437	C	S	.	.	H	α-helix	trans	-60.9	-44.8	174.9	-177.7	68.6	0	0	0	112.2	I225 A231 I232 R237 E238 M239	I225-L235 HydrophobicContact CG2-CB 4.43Å; I225-L235 HydrophobicContact CG2-CD2 4.16Å; A231-L235 WeakPolarHBondContact O-CB 3.06Å; A231-L235 PolarHBondContact O-N 3.43Å; I232-L235 PolarHBondContact O-N 3.35Å; L235-R237 PolarHBondContact O-N 3.11Å; L235-E238 PolarHBondContact O-N 3.05Å; L235-M239 WeakPolarHBondContact O-CG 3.44Å; L235-M239 PolarHBondContact O-N 3.28Å
236	L	64.5	Low	59	Low	97 Å²	97	94.1 Å²	94.1	51%	0.508	46%	0.455	S	S	.	.	H	α-helix	trans	-62.3	-34.4	176	-71.8	171.5	0	0	0	111.7	I232 Q233 D234 N240	I232-L236 HydrophobicContact CG2-CD1 4.26Å; I232-L236 WeakPolarHBondContact O-CG 3.47Å; I232-L236 PolarHBondContact O-N 2.96Å; Q233-L236 PolarHBondContact O-N 3.22Å; D234-L236 PolarHBondContact O-N 2.68Å; L236-N240 WeakPolarHBondContact O-CB 3.38Å; L236-N240 PolarHBondContact O-N 3.36Å
237	R	65.6	Low	58.6	Low	193 Å²	193	93.5 Å²	93.5	73%	0.728	46%	0.463	S	S	*	.	H	α-helix	trans	-68.5	-43.3	176.5	-157.8	178.9	-164.5	-179.5	3.2	111.7	Q233 D234 L235 N240 A241	Q233-R237 WeakPolarHBondContact O-CB 3.44Å; Q233-R237 PolarHBondContact O-N 2.66Å; D234-R237 WeakPolarHBondContact O-CB 3.21Å; D234-R237 PolarHBondContact O-N 3.07Å; D234-R237 VanDerWaalsContact O-N 3.13Å; L235-R237 PolarHBondContact O-N 3.11Å; R237-N240 PolarHBondContact O-N 3.45Å; R237-A241 PolarHBondContact O-N 3.19Å
238	E	64.5	Low	58.4	Low	96 Å²	96	94.2 Å²	94.2	45%	0.449	46%	0.458	S	S	.	.	H	α-helix	trans	-61.6	-44.9	173.8	-75.1	-176.2	176.3	0	0	111.6	D234 L235 N240 A241 Y242	D234-E238 PolarHBondContact O-N 2.84Å; L235-E238 PolarHBondContact O-N 3.05Å; E238-N240 VanDerWaalsContact C-N 3.35Å; E238-N240 PolarHBondContact O-N 3.19Å; E238-A241 PolarHBondContact O-N 3.44Å; E238-Y242 PolarHBondContact O-N 2.99Å
239	M	59.7	Low	57.9	Low	47 Å²	47	93.8 Å²	93.8	23%	0.232	46%	0.46	C	S	.	.	H	α-helix	trans	-61.3	-42.9	176.5	-72.1	-177	71.2	0	0	111.9	Y18 L235 Y242 Y243	Y18-M239 HydrophobicContact CE1-CG 4.21Å; L235-M239 WeakPolarHBondContact O-CG 3.44Å; L235-M239 PolarHBondContact O-N 3.28Å; M239-Y242 WeakPolarHBondContact O-CB 3.47Å; M239-Y242 PolarHBondContact O-N 2.97Å; M239-Y243 HydrophobicContact CB-CE2 4.32Å; M239-Y243 HydrophobicContact CE-CE2 4.07Å; M239-Y243 WeakPolarHBondContact O-CD2 3.29Å; M239-Y243 PolarHBondContact O-N 3.08Å
240	N	56.7	Low	57.1	Low	92 Å²	92	96.9 Å²	96.9	49%	0.492	47%	0.467	S	S	.	.	H	α-helix	trans	-63.8	-40.9	176.3	-82.8	-22.7	0	0	0	112.3	L236 R237 E238 Y243 L244	L236-N240 WeakPolarHBondContact O-CB 3.38Å; L236-N240 PolarHBondContact O-N 3.36Å; R237-N240 PolarHBondContact O-N 3.45Å; E238-N240 VanDerWaalsContact C-N 3.35Å; E238-N240 PolarHBondContact O-N 3.19Å; N240-Y243 PolarHBondContact O-N 3.17Å; N240-L244 VanDerWaalsContact O-CG 3.29Å; N240-L244 WeakPolarHBondContact O-CG 3.5Å; N240-L244 PolarHBondContact O-N 2.97Å
241	A	59.8	Low	55.9	Low	51 Å²	51	98.8 Å²	98.8	42%	0.421	47%	0.472	S	S	.	.	H	α-helix	trans	-61.9	-44.9	175.4	0	0	0	0	0	111.2	R237 E238 Y243 L244 T245	R237-A241 PolarHBondContact O-N 3.19Å; E238-A241 PolarHBondContact O-N 3.44Å; A241-Y243 PolarHBondContact O-N 3.15Å; A241-L244 WeakPolarHBondContact O-CB 3.41Å; A241-L244 PolarHBondContact O-N 3.5Å; A241-T245 PolarHBondContact O-N 2.9Å; A241-T245 PolarHBondContact O-OG1 3.39Å; A241-T245 VanDerWaalsContact O-OG1 3.11Å
242	Y	56.4	Low	54.7	Low	33 Å²	33	104.6 Å²	104.6	13%	0.129	53%	0.534	C	S	.	.	H	α-helix	trans	-57.4	-48.1	175.5	-176.8	-88.3	0	0	0	112	Y14 Y18 E238 M239 L244 T245 Y246	Y14-Y242 HydrophobicContact CD1-CD2 4.41Å; Y14-Y242 AromaticContact CD1-CE2 3.82Å; Y14-Y242 HydrophobicContact CD1-CE2 3.82Å; Y14-Y242 HydrophobicContact CD2-CE2 4.4Å; Y14-Y242 HydrophobicContact CE1-CD2 4.38Å; Y14-Y242 HydrophobicContact CE1-CE2 4.13Å; Y14-Y242 AromaticContact CG-CE2 3.94Å; Y14-Y242 HydrophobicContact CG-CE2 3.94Å; Y18-Y242 HydrophobicContact CE2-CD2 4.31Å; Y18-Y242 HydrophobicContact CE2-CE2 4.31Å; Y18-Y242 HydrophobicContact CE2-CG 4.45Å; E238-Y242 PolarHBondContact O-N 2.99Å; M239-Y242 WeakPolarHBondContact O-CB 3.47Å; M239-Y242 PolarHBondContact O-N 2.97Å; Y242-L244 VanDerWaalsContact C-N 3.29Å; Y242-L244 PolarHBondContact O-N 3.31Å; Y242-T245 PolarHBondContact O-N 3.31Å; Y242-Y246 HydrophobicContact CD1-CD2 4.35Å; Y242-Y246 AromaticContact CD2-CD2 3.59Å; Y242-Y246 HydrophobicContact CD2-CD2 3.59Å; Y242-Y246 AromaticContact CD2-CE2 3.83Å; Y242-Y246 HydrophobicContact CD2-CE2 3.83Å; Y242-Y246 HydrophobicContact CE1-CD2 4.25Å; Y242-Y246 AromaticContact CE2-CD2 3.48Å; Y242-Y246 HydrophobicContact CE2-CD2 3.48Å; Y242-Y246 VanDerWaalsContact CE2-CD2 3.48Å; Y242-Y246 AromaticContact CE2-CE2 3.74Å; Y242-Y246 HydrophobicContact CE2-CE2 3.74Å; Y242-Y246 HydrophobicContact CE2-CG 4.33Å; Y242-Y246 HydrophobicContact CG-CD2 4.04Å; Y242-Y246 AromaticContact CZ-CD2 3.82Å; Y242-Y246 WeakPolarHBondContact O-CD2 3.28Å; Y242-Y246 PolarHBondContact O-N 2.74Å
243	Y	52.8	Low	54.7	Low	76 Å²	76	106.6 Å²	106.6	30%	0.298	54%	0.544	S	S	.	.	H	α-helix	trans	-68.8	-24.7	178.9	-68.9	-47	0	0	0	114.2	M239 N240 A241 G247 R248 P249	M239-Y243 HydrophobicContact CB-CE2 4.32Å; M239-Y243 HydrophobicContact CE-CE2 4.07Å; M239-Y243 WeakPolarHBondContact O-CD2 3.29Å; M239-Y243 PolarHBondContact O-N 3.08Å; N240-Y243 PolarHBondContact O-N 3.17Å; A241-Y243 PolarHBondContact O-N 3.15Å; Y243-G247 CarbonylContact O-C 3.51Å; Y243-G247 WeakPolarHBondContact O-CA 3.18Å; Y243-G247 PolarHBondContact O-N 3.38Å; Y243-R248 HydrophobicContact CG-CG 4.35Å; Y243-R248 PolarHBondContact O-N 3.19Å; Y243-P249 HydrophobicContact CD1-CG 4.39Å; Y243-P249 HydrophobicContact CE1-CG 3.73Å
244	L	56.1	Low	54.3	Low	149 Å²	149	106.3 Å²	106.3	78%	0.78	55%	0.545	S	S	*	.	H	α-helix	trans	-71.7	-38.8	171.5	-76.4	165.3	0	0	0	111.2	N240 A241 Y242	N240-L244 VanDerWaalsContact O-CG 3.29Å; N240-L244 WeakPolarHBondContact O-CG 3.5Å; N240-L244 PolarHBondContact O-N 2.97Å; A241-L244 WeakPolarHBondContact O-CB 3.41Å; A241-L244 PolarHBondContact O-N 3.5Å; Y242-L244 VanDerWaalsContact C-N 3.29Å; Y242-L244 PolarHBondContact O-N 3.31Å
245	T	53.6	Low	53.7	Low	103 Å²	103	107.9 Å²	107.9	63%	0.632	55%	0.552	S	S	*	*	H	α-helix	trans	-77.9	-46.5	-178.6	-52.9	0	0	0	0	113.2	A241 Y242	A241-T245 PolarHBondContact O-N 2.9Å; A241-T245 PolarHBondContact O-OG1 3.39Å; A241-T245 VanDerWaalsContact O-OG1 3.11Å; Y242-T245 PolarHBondContact O-N 3.31Å
246	Y	50.6	Low	53.2	Low	130 Å²	130	112.3 Å²	112.3	51%	0.51	57%	0.574	S	S	.	*	H	α-helix	trans	-102.7	2.2	-172.1	-62	-74.5	0	0	0	113.5	Y242	Y242-Y246 HydrophobicContact CD1-CD2 4.35Å; Y242-Y246 AromaticContact CD2-CD2 3.59Å; Y242-Y246 HydrophobicContact CD2-CD2 3.59Å; Y242-Y246 AromaticContact CD2-CE2 3.83Å; Y242-Y246 HydrophobicContact CD2-CE2 3.83Å; Y242-Y246 HydrophobicContact CE1-CD2 4.25Å; Y242-Y246 AromaticContact CE2-CD2 3.48Å; Y242-Y246 HydrophobicContact CE2-CD2 3.48Å; Y242-Y246 VanDerWaalsContact CE2-CD2 3.48Å; Y242-Y246 AromaticContact CE2-CE2 3.74Å; Y242-Y246 HydrophobicContact CE2-CE2 3.74Å; Y242-Y246 HydrophobicContact CE2-CG 4.33Å; Y242-Y246 HydrophobicContact CG-CD2 4.04Å; Y242-Y246 AromaticContact CZ-CD2 3.82Å; Y242-Y246 WeakPolarHBondContact O-CD2 3.28Å; Y242-Y246 PolarHBondContact O-N 2.74Å
247	G	45	Very low	52.5	Low	39 Å²	39	113.3 Å²	113.3	40%	0.402	58%	0.579	S	S	.	*			trans	84.2	150.2	-173	0	0	0	0	0	112.6	Y243	Y243-G247 CarbonylContact O-C 3.51Å; Y243-G247 WeakPolarHBondContact O-CA 3.18Å; Y243-G247 PolarHBondContact O-N 3.38Å
248	R	52.6	Low	51.6	Low	183 Å²	183	107.9 Å²	107.9	69%	0.691	57%	0.569	S	S	*	*			trans	-69.7	142.8	167	-72.5	-179.2	-179.3	179.4	1.5	108.7	Y243 R250	Y243-R248 HydrophobicContact CG-CG 4.35Å; Y243-R248 PolarHBondContact O-N 3.19Å; R248-R250 PolarHBondContact O-N 3.34Å
249	P	50.4	Low	50.7	Low	74 Å²	74	108.8 Å²	108.8	48%	0.481	58%	0.577	S	S	.	*			trans	-51.7	114	164.7	-21.2	30.4	0	0	0	107.9	Y243	Y243-P249 HydrophobicContact CD1-CG 4.39Å; Y243-P249 HydrophobicContact CE1-CG 3.73Å
250	R	43	Very low	50	Low	230 Å²	230	113.5 Å²	113.5	87%	0.868	60%	0.604	S	S	*	*			trans	-96.2	124.4	174	-65.5	-174.4	-177.9	-176.8	0.8	106.4	R248	R248-R250 PolarHBondContact O-N 3.34Å
251	Y	40.3	Very low	49.4	Very low	174 Å²	174	115.3 Å²	115.3	68%	0.682	61%	0.613	S	S	*	*			trans	-68.4	131.2	171.8	-58.6	-79.3	0	0	0	108.9
252	G	32.1	Very low	48.5	Very low	142 Å²	142	121.2 Å²	121.2	100%	1.464	63%	0.631	S	S	*	*			trans	-128.7	0	165.5	0	0	0	0	0	108.9

Retrieved 252 of 252 residues in 195 ms (Link to these results)

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