A0A5K4FBH7_SCHMA Loading...

Rab-GAP TBC domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FBH7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 653 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	38.5	Very low	237 Å²	237	175.5 Å²	175.5	100%	1.167	88%	0.875	S	S	*	*				0	76.3	0	-66.3	172.7	-177.1	0	0	107
2	M	29.8	Very low	38.5	Very low	163 Å²	163	173.3 Å²	173.3	80%	0.803	87%	0.865	S	S	*	*			trans	-87.2	-174.1	166	-73.3	71.2	173.7	0	0	107.9
3	D	35.2	Very low	38	Very low	146 Å²	146	168.5 Å²	168.5	78%	0.781	85%	0.854	S	S	*	*			trans	68.8	94.4	166.7	-41.8	-36.4	0	0	0	115.6
4	N	42.8	Very low	37.7	Very low	168 Å²	168	168.9 Å²	168.9	90%	0.898	86%	0.859	S	S	*	*			trans	175	24.5	146.5	-95.1	-51	0	0	0	115.1
5	I	43.2	Very low	37.5	Very low	172 Å²	172	170.1 Å²	170.1	88%	0.882	86%	0.859	S	S	*	*			trans	-129.2	66.2	173.8	-45.5	-178.7	0	0	0	110.9
6	I	40.2	Very low	37.4	Very low	155 Å²	155	165.2 Å²	165.2	80%	0.795	85%	0.846	S	S	*	*			trans	-132.8	155.1	165.7	-54.3	-179.1	0	0	0	106
7	N	39.2	Very low	37.5	Very low	153 Å²	153	166.7 Å²	166.7	82%	0.818	85%	0.849	S	S	*	*	S	Bend	trans	80.2	55	-177.4	-51.7	-18.6	0	0	0	117.4
8	K	42	Very low	37.6	Very low	206 Å²	206	165.6 Å²	165.6	90%	0.896	85%	0.845	S	S	*	*			trans	-138.2	15	156.9	-83.5	-156.9	175.8	-176.4	0	115.8
9	H	35.8	Very low	37.9	Very low	182 Å²	182	163.8 Å²	163.8	84%	0.843	84%	0.838	S	S	*	*			trans	-115	75.5	175.9	-89.3	-85.7	0	0	0	111.2
10	E	37.1	Very low	38.7	Very low	182 Å²	182	162.2 Å²	162.2	85%	0.85	83%	0.829	S	S	*	*			trans	-151.3	94.7	173.2	-127.9	170.5	-147.7	0	0	110
11	N	38.3	Very low	39.7	Very low	166 Å²	166	159.7 Å²	159.7	89%	0.888	82%	0.817	S	S	*	*			trans	158.1	63.9	160.9	-92.5	-69.1	0	0	0	109.4
12	I	38.4	Very low	41.7	Very low	149 Å²	149	155.9 Å²	155.9	76%	0.764	80%	0.797	S	S	*	*			trans	-108.3	120.4	160.4	-60.9	176.3	0	0	0	105.2	L14	I12-L14 PolarHBondContact O-N 3.04Å
13	P	32.7	Very low	44.4	Very low	111 Å²	111	149.4 Å²	149.4	72%	0.721	77%	0.767	S	S	*	*			trans	-60.4	125.8	175.3	-22.9	33.9	0	0	0	110.1	Q15	P13-Q15 PolarHBondContact O-N 3.34Å
14	L	33.2	Very low	47	Very low	175 Å²	175	142.8 Å²	142.8	92%	0.916	73%	0.732	S	S	*	*			trans	-63.2	105.7	164.6	-73.5	164.1	0	0	0	107.3	I12 S16	I12-L14 PolarHBondContact O-N 3.04Å; L14-S16 PolarHBondContact O-N 2.78Å
15	Q	35.3	Very low	49.1	Very low	186 Å²	186	138.7 Å²	138.7	87%	0.869	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-64.9	126	168.7	-67	-174.5	-71.8	0	0	107.6	P13 E17	P13-Q15 PolarHBondContact O-N 3.34Å; Q15-E17 PolarHBondContact O-N 2.83Å
16	S	35.8	Very low	51.4	Low	92 Å²	92	131.9 Å²	131.9	64%	0.643	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-64.6	130.8	178.4	46.3	0	0	0	0	110.5	L14	L14-S16 PolarHBondContact O-N 2.78Å
17	E	38	Very low	53.8	Low	191 Å²	191	124.6 Å²	124.6	89%	0.893	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.5	150.9	158	-60.3	178.6	137.4	0	0	108.8	Q15	Q15-E17 PolarHBondContact O-N 2.83Å
18	D	40.1	Very low	56.4	Low	146 Å²	146	117.3 Å²	117.3	78%	0.781	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	64.4	39.3	-171.4	-65.9	-18.9	0	0	0	117.2	I20	D18-I20 HydrophobicContact CB-CG1 4.37Å; D18-I20 PolarHBondContact O-N 3.44Å
19	D	43	Very low	58.7	Low	132 Å²	132	112.1 Å²	112.1	71%	0.706	57%	0.566	S	S	*	*			trans	-70.7	81.9	152	-154.8	8.9	0	0	0	108.9	L21	D19-L21 VanDerWaalsContact C-N 3.32Å; D19-L21 PolarHBondContact O-N 3.24Å
20	I	53.2	Low	61.1	Low	131 Å²	131	104.2 Å²	104.2	67%	0.672	53%	0.534	S	S	*	.			trans	-67.7	89.1	-175.1	-56	176.9	0	0	0	109.3	D18 Q22	D18-I20 HydrophobicContact CB-CG1 4.37Å; D18-I20 PolarHBondContact O-N 3.44Å; I20-Q22 PolarHBondContact O-N 3.39Å
21	L	61.7	Low	63.5	Low	110 Å²	110	97.6 Å²	97.6	58%	0.576	52%	0.515	S	S	*	.			trans	-51	104.2	176.9	-77.7	168.1	0	0	0	110.7	D19 C23 R29	D19-L21 VanDerWaalsContact C-N 3.32Å; D19-L21 PolarHBondContact O-N 3.24Å; L21-C23 PolarHBondContact O-N 2.85Å; L21-R29 HydrophobicContact CB-CB 4.22Å; L21-R29 PolarHBondContact O-NH1 3.31Å
22	Q	80.1	Confident	65.7	Low	158 Å²	158	95 Å²	95	74%	0.738	50%	0.497	S	S	*	.			trans	-68.5	130.1	-177.7	-174.4	176.9	8.7	0	0	109.1	I20 D24	I20-Q22 PolarHBondContact O-N 3.39Å; Q22-D24 PolarHBondContact O-N 3.12Å
23	C	86.4	Confident	68.1	Low	26 Å²	26	89.1 Å²	89.1	18%	0.176	47%	0.466	C	S	.	.			trans	-57.2	135.6	173.1	-57	0	0	0	0	110.3	L21 F28 R29 E439	L21-C23 PolarHBondContact O-N 2.85Å; C23-F28 CarbonylContact C-O 3.57Å; C23-F28 VanDerWaalsContact CA-O 3.28Å; C23-F28 WeakPolarHBondContact CA-O 3.38Å; C23-R29 VanDerWaalsContact SG-CG 3.59Å; C23-E439 PolarHBondContact SG-OE2 3.02Å
24	D	90.1	Very high	70.8	Confident	8 Å²	8	87.7 Å²	87.7	4%	0.043	45%	0.447	C	S	.	.			trans	-62.8	176.9	164.2	76.8	0.6	0	0	0	110.6	Q22 Y26 G27 F28 Y34 T35	Q22-D24 PolarHBondContact O-N 3.12Å; D24-Y26 PolarHBondContact O-N 2.72Å; D24-Y26 VanDerWaalsContact OD1-C 3.28Å; D24-Y26 VanDerWaalsContact OD1-CA 3.3Å; D24-Y26 WeakPolarHBondContact OD1-CA 3.16Å; D24-Y26 WeakPolarHBondContact OD1-CB 3.31Å; D24-Y26 PolarHBondContact OD1-N 2.76Å; D24-G27 PolarHBondContact O-N 3.48Å; D24-G27 VanDerWaalsContact O-N 3.08Å; D24-G27 PolarHBondContact OD1-N 2.92Å; D24-F28 PolarHBondContact N-O 3.41Å; D24-F28 PolarHBondContact OD1-N 3.13Å; D24-Y34 HydrophobicContact CB-CD2 4Å; D24-Y34 HydrophobicContact CB-CE2 3.78Å; D24-T35 PolarHBondContact OD2-N 3.32Å
25	R	88.3	Confident	73.4	Confident	82 Å²	82	80.2 Å²	80.2	31%	0.309	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-8.7	178.7	67.1	176.9	-72.2	170.5	-9.9	114.8	E40 D83 P159	R25-E40 WeakPolarHBondContact CD-OE1 3.36Å; R25-E40 WeakPolarHBondContact CD-OE2 3.19Å; R25-E40 IonicContact CZ-OE1 3.78Å; R25-E40 VanDerWaalsContact CZ-OE1 3.31Å; R25-E40 IonicContact CZ-OE2 2.69Å; R25-E40 IonicContact NE-OE1 3Å; R25-E40 IonicContact NE-OE2 3.08Å; R25-E40 IonicContact NH1-OE1 3.19Å; R25-E40 PolarHBondContact NH1-OE1 3.25Å; R25-E40 IonicContact NH1-OE2 3.33Å; R25-E40 PolarHBondContact NH1-OE2 3.5Å; R25-D83 IonicContact CZ-OD2 3.31Å; R25-D83 IonicContact NE-OD2 3.71Å; R25-D83 IonicContact NH2-OD2 2.62Å; R25-D83 PolarHBondContact NH2-OD2 3.27Å; R25-P159 HydrophobicContact CB-CG 4.21Å
26	Y	90.3	Very high	75.7	Confident	29 Å²	29	73.7 Å²	73.7	11%	0.114	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.4	4.3	-177.6	-59.2	-64.8	0	0	0	112.5	D24 H438 W558 T559 L562	D24-Y26 PolarHBondContact O-N 2.72Å; D24-Y26 VanDerWaalsContact OD1-C 3.28Å; D24-Y26 VanDerWaalsContact OD1-CA 3.3Å; D24-Y26 WeakPolarHBondContact OD1-CA 3.16Å; D24-Y26 WeakPolarHBondContact OD1-CB 3.31Å; D24-Y26 PolarHBondContact OD1-N 2.76Å; Y26-H438 PolarHBondContact O-CD2 2.94Å; Y26-H438 PolarHBondContact O-NE2 2.81Å; Y26-W558 AromaticContact CD1-CD1 3.87Å; Y26-W558 AromaticContact CD1-NE1 3.53Å; Y26-W558 AromaticContact CD2-CD1 3.35Å; Y26-W558 HydrophobicContact CD2-CG 4.5Å; Y26-W558 AromaticContact CD2-NE1 3.86Å; Y26-W558 AromaticContact CE2-CD1 3.81Å; Y26-W558 AromaticContact CG-CD1 3.37Å; Y26-W558 AromaticContact CG-NE1 3.33Å; Y26-W558 VanDerWaalsContact CG-NE1 3.33Å; Y26-T559 HydrophobicContact CE2-CG2 3.83Å; Y26-L562 HydrophobicContact CD1-CD1 4.1Å; Y26-L562 HydrophobicContact CE1-CD1 3.54Å
27	G	91.7	Very high	77.9	Confident	2 Å²	2	71.3 Å²	71.3	2%	0.021	36%	0.362	C	S	.	.	S	Bend	trans	91.9	1.7	176.3	0	0	0	0	0	115.3	D24 H438 E439	D24-G27 PolarHBondContact O-N 3.48Å; D24-G27 VanDerWaalsContact O-N 3.08Å; D24-G27 PolarHBondContact OD1-N 2.92Å; G27-H438 CarbonylContact O-C 3.57Å; G27-H438 WeakPolarHBondContact O-CA 3.44Å; G27-E439 PolarHBondContact O-N 3.15Å
28	F	92.8	Very high	79.9	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	36%	0.36	C	S	.	.	B	Isolated β-bridge	trans	-84.6	134.1	178.3	-65.4	-86.9	0	0	0	111.6	C23 D24 Q33 Y34 F435 F437 H438 M481 W558	C23-F28 CarbonylContact C-O 3.57Å; C23-F28 VanDerWaalsContact CA-O 3.28Å; C23-F28 WeakPolarHBondContact CA-O 3.38Å; D24-F28 PolarHBondContact N-O 3.41Å; D24-F28 PolarHBondContact OD1-N 3.13Å; F28-Q33 HydrophobicContact CD1-CB 3.66Å; F28-Q33 HydrophobicContact CD2-CB 4.2Å; F28-Q33 HydrophobicContact CE1-CB 3.38Å; F28-Q33 HydrophobicContact CE1-CG 3.89Å; F28-Q33 HydrophobicContact CE2-CB 3.98Å; F28-Q33 HydrophobicContact CG-CB 4.07Å; F28-Q33 HydrophobicContact CZ-CB 3.57Å; F28-Q33 HydrophobicContact CZ-CG 4.01Å; F28-Y34 HydrophobicContact CB-CD2 4.2Å; F28-Y34 WeakPolarHBondContact O-CD2 3.34Å; F28-Y34 WeakPolarHBondContact O-CE2 3.3Å; F28-F435 HydrophobicContact CE1-CB 4.06Å; F28-F435 AromaticContact CE1-CD1 3.87Å; F28-F435 HydrophobicContact CE1-CD1 3.87Å; F28-F435 HydrophobicContact CE1-CG 4.31Å; F28-F435 HydrophobicContact CZ-CD1 4.09Å; F28-F437 WeakPolarHBondContact CA-O 3.47Å; F28-H438 HydrophobicContact CD1-CB 3.8Å; F28-H438 HydrophobicContact CE1-CB 3.7Å; F28-H438 AromaticContact CE2-CD2 3.83Å; F28-H438 HydrophobicContact CG-CB 4.47Å; F28-H438 HydrophobicContact CZ-CB 4.27Å; F28-H438 AromaticContact CZ-CD2 3.89Å; F28-M481 HydrophobicContact CE1-CE 4.45Å; F28-M481 HydrophobicContact CE2-SD 4.49Å; F28-M481 HydrophobicContact CZ-CE 3.91Å; F28-M481 HydrophobicContact CZ-SD 4.17Å; F28-W558 AromaticContact CE2-CD2 3.68Å; F28-W558 HydrophobicContact CE2-CD2 3.68Å; F28-W558 AromaticContact CE2-CE2 3.66Å; F28-W558 HydrophobicContact CE2-CE3 4.06Å; F28-W558 HydrophobicContact CE2-CG 4.03Å; F28-W558 HydrophobicContact CE2-CH2 4.34Å; F28-W558 HydrophobicContact CE2-CZ2 4.01Å; F28-W558 HydrophobicContact CE2-CZ3 4.37Å; F28-W558 AromaticContact CE2-NE1 3.94Å; F28-W558 HydrophobicContact CZ-CD2 4.03Å; F28-W558 AromaticContact CZ-CE3 3.9Å; F28-W558 HydrophobicContact CZ-CE3 3.9Å; F28-W558 HydrophobicContact CZ-CH2 4.1Å; F28-W558 HydrophobicContact CZ-CZ2 4.23Å; F28-W558 AromaticContact CZ-CZ3 3.94Å; F28-W558 HydrophobicContact CZ-CZ3 3.94Å
29	R	90.1	Very high	81.7	Confident	96 Å²	96	71.1 Å²	71.1	36%	0.362	36%	0.357	S	S	.	.			trans	-92.6	-3.2	172.5	-60.9	-178.6	-178.4	-83.7	0.4	113.7	L21 C23 F437	L21-R29 HydrophobicContact CB-CB 4.22Å; L21-R29 PolarHBondContact O-NH1 3.31Å; C23-R29 VanDerWaalsContact SG-CG 3.59Å; R29-F437 PolarHBondContact N-O 3.05Å
30	G	87.7	Confident	83.3	Confident	16 Å²	16	66.5 Å²	66.5	17%	0.165	33%	0.331	C	S	.	.	S	Bend	trans	160.6	-169	-175.8	0	0	0	0	0	112.4	F437	G30-F437 WeakPolarHBondContact O-CB 3.39Å
31	G	85.4	Confident	84.3	Confident	44 Å²	44	65.5 Å²	65.5	45%	0.454	33%	0.327	S	S	.	.	S	Bend	trans	77.7	-177.5	-177.7	0	0	0	0	0	114.1	Q33 Y34	G31-Q33 PolarHBondContact O-N 2.96Å; G31-Q33 VanDerWaalsContact O-N 3.12Å; G31-Y34 VanDerWaalsContact O-CB 3.31Å; G31-Y34 WeakPolarHBondContact O-CB 3.34Å; G31-Y34 PolarHBondContact O-N 3.46Å
32	Q	84.6	Confident	85	Confident	112 Å²	112	67.9 Å²	67.9	52%	0.523	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-21.2	-170.6	-175.1	176.8	-9.6	0	0	114.6	R554	Q32-R554 PolarHBondContact NE2-O 2.72Å
33	Q	88.9	Confident	85.1	Confident	24 Å²	24	63.3 Å²	63.3	11%	0.112	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-17.3	178.2	-67.6	77.1	15.6	0	0	113.5	F28 G31 T35 F435 W558	F28-Q33 HydrophobicContact CD1-CB 3.66Å; F28-Q33 HydrophobicContact CD2-CB 4.2Å; F28-Q33 HydrophobicContact CE1-CB 3.38Å; F28-Q33 HydrophobicContact CE1-CG 3.89Å; F28-Q33 HydrophobicContact CE2-CB 3.98Å; F28-Q33 HydrophobicContact CG-CB 4.07Å; F28-Q33 HydrophobicContact CZ-CB 3.57Å; F28-Q33 HydrophobicContact CZ-CG 4.01Å; G31-Q33 PolarHBondContact O-N 2.96Å; G31-Q33 VanDerWaalsContact O-N 3.12Å; Q33-T35 PolarHBondContact O-N 2.93Å; Q33-F435 HydrophobicContact CG-CD1 3.9Å; Q33-F435 HydrophobicContact CG-CE1 3.87Å; Q33-W558 HydrophobicContact CB-CB 4.37Å; Q33-W558 HydrophobicContact CB-CE3 4.39Å; Q33-W558 HydrophobicContact CG-CE3 4.1Å; Q33-W558 VanDerWaalsContact O-CB 3.26Å; Q33-W558 WeakPolarHBondContact O-CB 3.42Å
34	Y	89.3	Confident	85.1	Confident	82 Å²	82	65.1 Å²	65.1	32%	0.322	32%	0.324	S	S	.	.			trans	-59	123.7	-177.8	-176.5	-97.8	0	0	0	111.4	D24 F28 G31 N36	D24-Y34 HydrophobicContact CB-CD2 4Å; D24-Y34 HydrophobicContact CB-CE2 3.78Å; F28-Y34 HydrophobicContact CB-CD2 4.2Å; F28-Y34 WeakPolarHBondContact O-CD2 3.34Å; F28-Y34 WeakPolarHBondContact O-CE2 3.3Å; G31-Y34 VanDerWaalsContact O-CB 3.31Å; G31-Y34 WeakPolarHBondContact O-CB 3.34Å; G31-Y34 PolarHBondContact O-N 3.46Å; Y34-N36 HydrophobicContact CE1-CB 4.41Å
35	T	87.8	Confident	84.9	Confident	18 Å²	18	68.2 Å²	68.2	11%	0.11	34%	0.34	C	S	.	.			trans	-98.7	105.2	175.9	-57.1	0	0	0	0	108.8	D24 Q33 P37 E40 T559	D24-T35 PolarHBondContact OD2-N 3.32Å; Q33-T35 PolarHBondContact O-N 2.93Å; T35-P37 VanDerWaalsContact O-CD 3.27Å; T35-P37 WeakPolarHBondContact O-CD 3.13Å; T35-P37 VanDerWaalsContact O-N 3.1Å; T35-E40 HydrophobicContact CG2-CB 4.2Å; T35-E40 HydrophobicContact CG2-CG 4.15Å; T35-T559 HydrophobicContact CG2-CG2 3.82Å
36	N	84.7	Confident	85.1	Confident	48 Å²	48	71.8 Å²	71.8	26%	0.257	36%	0.36	S	S	.	.			trans	-52.4	118.6	175.7	178.4	-2.8	0	0	0	109.7	Y34 E38 E39 E40	Y34-N36 HydrophobicContact CE1-CB 4.41Å; N36-E38 PolarHBondContact O-N 3.4Å; N36-E38 PolarHBondContact OD1-N 2.92Å; N36-E39 HydrophobicContact CB-CB 4.12Å; N36-E39 HydrophobicContact CB-CG 4.08Å; N36-E39 WeakPolarHBondContact CB-OE1 3.23Å; N36-E39 PolarHBondContact ND2-OE1 2.98Å; N36-E39 PolarHBondContact O-N 3.47Å; N36-E40 PolarHBondContact O-N 3.14Å
37	P	81.3	Confident	85.1	Confident	43 Å²	43	73.5 Å²	73.5	28%	0.279	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-16.3	-177.3	-23.7	34.4	0	0	0	114.6	T35 R42	T35-P37 VanDerWaalsContact O-CD 3.27Å; T35-P37 WeakPolarHBondContact O-CD 3.13Å; T35-P37 VanDerWaalsContact O-N 3.1Å; P37-R42 VanDerWaalsContact CB-NH2 3.25Å; P37-R42 VanDerWaalsContact O-CZ 3.26Å; P37-R42 PolarHBondContact O-NE 2.78Å; P37-R42 PolarHBondContact O-NH2 2.71Å
38	E	80.5	Confident	85	Confident	178 Å²	178	74.8 Å²	74.8	83%	0.832	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-26.4	175.4	-57	-165	146.3	0	0	113.4	N36	N36-E38 PolarHBondContact O-N 3.4Å; N36-E38 PolarHBondContact OD1-N 2.92Å
39	E	77.8	Confident	84.9	Confident	154 Å²	154	80.5 Å²	80.5	72%	0.72	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-14	179.1	-68.2	171.1	-128.3	0	0	113.1	N36 D41	N36-E39 HydrophobicContact CB-CB 4.12Å; N36-E39 HydrophobicContact CB-CG 4.08Å; N36-E39 WeakPolarHBondContact CB-OE1 3.23Å; N36-E39 PolarHBondContact ND2-OE1 2.98Å; N36-E39 PolarHBondContact O-N 3.47Å; E39-D41 PolarHBondContact O-N 3.38Å
40	E	77.1	Confident	85.1	Confident	36 Å²	36	78.3 Å²	78.3	17%	0.168	40%	0.4	C	S	.	.	S	Bend	trans	-67.3	127.5	-179.6	-160	-163.3	178.3	0	0	112	R25 T35 N36 R42	R25-E40 WeakPolarHBondContact CD-OE1 3.36Å; R25-E40 WeakPolarHBondContact CD-OE2 3.19Å; R25-E40 IonicContact CZ-OE1 3.78Å; R25-E40 VanDerWaalsContact CZ-OE1 3.31Å; R25-E40 IonicContact CZ-OE2 2.69Å; R25-E40 IonicContact NE-OE1 3Å; R25-E40 IonicContact NE-OE2 3.08Å; R25-E40 IonicContact NH1-OE1 3.19Å; R25-E40 PolarHBondContact NH1-OE1 3.25Å; R25-E40 IonicContact NH1-OE2 3.33Å; R25-E40 PolarHBondContact NH1-OE2 3.5Å; T35-E40 HydrophobicContact CG2-CB 4.2Å; T35-E40 HydrophobicContact CG2-CG 4.15Å; N36-E40 PolarHBondContact O-N 3.14Å; E40-R42 HydrophobicContact CB-CG 4.27Å; E40-R42 WeakPolarHBondContact O-CG 3.42Å; E40-R42 PolarHBondContact O-N 3.06Å
41	D	74	Confident	85.4	Confident	109 Å²	109	81.3 Å²	81.3	58%	0.583	41%	0.407	S	S	*	.			trans	-65	76.7	168.6	-85.8	-44	0	0	0	110.5	E39 V43	E39-D41 PolarHBondContact O-N 3.38Å; D41-V43 PolarHBondContact O-N 3.32Å; D41-V43 VanDerWaalsContact O-N 3.17Å
42	R	75.8	Confident	85.8	Confident	161 Å²	161	80 Å²	80	61%	0.608	39%	0.389	S	S	*	.			trans	-68	110.4	-172.5	-69.1	-176.6	-172.8	-136.6	16.2	113	P37 E40	P37-R42 VanDerWaalsContact CB-NH2 3.25Å; P37-R42 VanDerWaalsContact O-CZ 3.26Å; P37-R42 PolarHBondContact O-NE 2.78Å; P37-R42 PolarHBondContact O-NH2 2.71Å; E40-R42 HydrophobicContact CB-CG 4.27Å; E40-R42 WeakPolarHBondContact O-CG 3.42Å; E40-R42 PolarHBondContact O-N 3.06Å
43	V	81.7	Confident	86.3	Confident	62 Å²	62	79.8 Å²	79.8	38%	0.376	39%	0.39	S	S	.	.			trans	-69	136	168.2	-178.8	0	0	0	0	110.3	D41 V47 I48	D41-V43 PolarHBondContact O-N 3.32Å; D41-V43 VanDerWaalsContact O-N 3.17Å; V43-V47 HydrophobicContact CG1-CB 3.71Å; V43-V47 HydrophobicContact CG1-CG1 3.44Å; V43-V47 VanDerWaalsContact CG1-CG1 3.44Å; V43-I48 HydrophobicContact CB-CG1 4.21Å; V43-I48 HydrophobicContact CG1-CG1 4.01Å; V43-I48 WeakPolarHBondContact O-CD1 3.44Å
44	S	86.9	Confident	86.5	Confident	63 Å²	63	83.2 Å²	83.2	44%	0.441	41%	0.405	S	S	.	.			trans	-62.7	146.9	-179	75.2	0	0	0	0	112.8	E46 V47 I48	S44-E46 PolarHBondContact O-N 2.92Å; S44-V47 PolarHBondContact O-N 3.44Å; S44-V47 WeakPolarHBondContact OG-CG2 3.45Å; S44-V47 PolarHBondContact OG-N 3.08Å; S44-I48 PolarHBondContact O-N 3.09Å
45	I	87	Confident	86.8	Confident	74 Å²	74	79.5 Å²	79.5	38%	0.379	39%	0.39	S	S	.	.	H	α-helix	trans	-56.7	-34.9	-178.7	-65	172.3	0	0	0	111.5	I48 R49	I45-I48 PolarHBondContact O-N 3.38Å; I45-R49 HydrophobicContact CG2-CG 4.33Å; I45-R49 WeakPolarHBondContact O-CB 3.35Å; I45-R49 VanDerWaalsContact O-CG 3.3Å; I45-R49 WeakPolarHBondContact O-CG 3.47Å; I45-R49 PolarHBondContact O-N 3.21Å
46	E	91.1	Very high	87.1	Confident	156 Å²	156	84.9 Å²	84.9	73%	0.729	41%	0.409	S	S	*	.	H	α-helix	trans	-63.5	-43.8	174.7	-62.5	177.7	170.8	0	0	112.3	S44 S50	S44-E46 PolarHBondContact O-N 2.92Å; E46-S50 WeakPolarHBondContact O-CB 3.46Å; E46-S50 PolarHBondContact O-N 3.02Å
47	V	90.7	Very high	87.5	Confident	65 Å²	65	90 Å²	90	39%	0.394	43%	0.428	S	S	.	.	H	α-helix	trans	-69.8	-36.1	176.4	172.7	0	0	0	0	110.8	V43 S44 S50 R51	V43-V47 HydrophobicContact CG1-CB 3.71Å; V43-V47 HydrophobicContact CG1-CG1 3.44Å; V43-V47 VanDerWaalsContact CG1-CG1 3.44Å; S44-V47 PolarHBondContact O-N 3.44Å; S44-V47 WeakPolarHBondContact OG-CG2 3.45Å; S44-V47 PolarHBondContact OG-N 3.08Å; V47-S50 PolarHBondContact O-N 3.16Å; V47-R51 VanDerWaalsContact O-CG 3.22Å; V47-R51 WeakPolarHBondContact O-CG 3.18Å; V47-R51 PolarHBondContact O-N 3.03Å
48	I	89	Confident	88	Confident	30 Å²	30	87.9 Å²	87.9	15%	0.154	42%	0.415	C	S	.	.	H	α-helix	trans	-60.8	-56	172.1	-65.3	172.1	0	0	0	110	V43 S44 I45 S50 R51 E52	V43-I48 HydrophobicContact CB-CG1 4.21Å; V43-I48 HydrophobicContact CG1-CG1 4.01Å; V43-I48 WeakPolarHBondContact O-CD1 3.44Å; S44-I48 PolarHBondContact O-N 3.09Å; I45-I48 PolarHBondContact O-N 3.38Å; I48-S50 PolarHBondContact O-N 3.42Å; I48-R51 CarbonylContact O-C 3.55Å; I48-R51 WeakPolarHBondContact O-CA 3.32Å; I48-R51 WeakPolarHBondContact O-CB 3.41Å; I48-R51 PolarHBondContact O-N 3.3Å; I48-E52 HydrophobicContact CG2-CG 4.26Å; I48-E52 WeakPolarHBondContact O-CG 3.29Å; I48-E52 PolarHBondContact O-N 3.16Å
49	R	91.8	Very high	88.5	Confident	120 Å²	120	79.7 Å²	79.7	45%	0.453	38%	0.377	S	S	.	.	H	α-helix	trans	-56.4	-38.5	176.2	-71.9	173.1	177.9	176.4	-0.4	112.2	I45 R51 E52 L53	I45-R49 HydrophobicContact CG2-CG 4.33Å; I45-R49 WeakPolarHBondContact O-CB 3.35Å; I45-R49 VanDerWaalsContact O-CG 3.3Å; I45-R49 WeakPolarHBondContact O-CG 3.47Å; I45-R49 PolarHBondContact O-N 3.21Å; R49-R51 VanDerWaalsContact C-N 3.31Å; R49-R51 PolarHBondContact O-N 2.98Å; R49-E52 PolarHBondContact O-N 2.86Å; R49-L53 WeakPolarHBondContact O-CB 3.34Å; R49-L53 VanDerWaalsContact O-CG 3.32Å; R49-L53 WeakPolarHBondContact O-CG 3.18Å; R49-L53 PolarHBondContact O-N 3.23Å
50	S	93.5	Very high	89	Confident	49 Å²	49	76.1 Å²	76.1	34%	0.343	37%	0.369	S	S	.	.	H	α-helix	trans	-69	-24.5	175.8	-163.9	0	0	0	0	113.4	E46 V47 I48 K54	E46-S50 WeakPolarHBondContact O-CB 3.46Å; E46-S50 PolarHBondContact O-N 3.02Å; V47-S50 PolarHBondContact O-N 3.16Å; I48-S50 PolarHBondContact O-N 3.42Å; S50-K54 WeakPolarHBondContact O-CD 3.5Å; S50-K54 VanDerWaalsContact O-CE 3.3Å; S50-K54 WeakPolarHBondContact O-CE 3.14Å; S50-K54 VanDerWaalsContact O-CG 3.23Å; S50-K54 WeakPolarHBondContact O-CG 3.14Å; S50-K54 PolarHBondContact O-NZ 3.03Å; S50-K54 PolarHBondContact OG-NZ 2.81Å
51	R	93.9	Very high	89.6	Confident	80 Å²	80	78 Å²	78	30%	0.302	38%	0.38	S	S	.	.	H	α-helix	trans	-80.4	-46.3	169.5	-68.3	161.2	179.6	-129.5	6.3	110.6	V47 I48 R49 L53 K54 W55 K79 P82	V47-R51 VanDerWaalsContact O-CG 3.22Å; V47-R51 WeakPolarHBondContact O-CG 3.18Å; V47-R51 PolarHBondContact O-N 3.03Å; I48-R51 CarbonylContact O-C 3.55Å; I48-R51 WeakPolarHBondContact O-CA 3.32Å; I48-R51 WeakPolarHBondContact O-CB 3.41Å; I48-R51 PolarHBondContact O-N 3.3Å; R49-R51 VanDerWaalsContact C-N 3.31Å; R49-R51 PolarHBondContact O-N 2.98Å; R51-L53 PolarHBondContact O-N 3.14Å; R51-K54 WeakPolarHBondContact O-CB 3.42Å; R51-K54 PolarHBondContact O-N 3.4Å; R51-W55 PolarHBondContact O-N 2.86Å; R51-K79 PolarHBondContact NH1-O 3.34Å; R51-P82 HydrophobicContact CB-CG 3.71Å
52	E	94.4	Very high	90.4	Very high	17 Å²	17	74.5 Å²	74.5	8%	0.079	36%	0.359	C	S	.	.	H	α-helix	trans	-54.1	-47.3	176.4	-71.8	178	155.6	0	0	111.9	I48 R49 K54 W55 R56 P82 S84 F85 S158	I48-E52 HydrophobicContact CG2-CG 4.26Å; I48-E52 WeakPolarHBondContact O-CG 3.29Å; I48-E52 PolarHBondContact O-N 3.16Å; R49-E52 PolarHBondContact O-N 2.86Å; E52-K54 VanDerWaalsContact C-N 3.3Å; E52-K54 PolarHBondContact O-N 3.33Å; E52-W55 PolarHBondContact O-N 2.91Å; E52-R56 WeakPolarHBondContact O-CB 3.39Å; E52-R56 PolarHBondContact O-N 2.87Å; E52-P82 HydrophobicContact CG-CB 3.86Å; E52-P82 HydrophobicContact CG-CG 4.11Å; E52-S84 PolarHBondContact OE1-OG 3.41Å; E52-F85 HydrophobicContact CB-CD2 4.16Å; E52-F85 HydrophobicContact CB-CE2 3.73Å; E52-F85 HydrophobicContact CG-CD2 4.06Å; E52-F85 HydrophobicContact CG-CE2 4.03Å; E52-F85 WeakPolarHBondContact O-CE2 3.46Å; E52-S158 PolarHBondContact OE1-OG 3.39Å
53	L	94.4	Very high	91	Very high	106 Å²	106	70.1 Å²	70.1	56%	0.555	35%	0.353	S	S	*	.	H	α-helix	trans	-61.8	-34.8	176	-73.1	169	0	0	0	113.1	R49 R51 K57	R49-L53 WeakPolarHBondContact O-CB 3.34Å; R49-L53 VanDerWaalsContact O-CG 3.32Å; R49-L53 WeakPolarHBondContact O-CG 3.18Å; R49-L53 PolarHBondContact O-N 3.23Å; R51-L53 PolarHBondContact O-N 3.14Å; L53-K57 PolarHBondContact O-N 3.04Å
54	K	94.9	Very high	91.5	Very high	96 Å²	96	70.1 Å²	70.1	42%	0.417	35%	0.351	S	S	.	.	H	α-helix	trans	-71.3	-42.6	176.4	-70.6	166.6	-170.1	124.1	0	110.9	S50 R51 E52 K57 M58	S50-K54 WeakPolarHBondContact O-CD 3.5Å; S50-K54 VanDerWaalsContact O-CE 3.3Å; S50-K54 WeakPolarHBondContact O-CE 3.14Å; S50-K54 VanDerWaalsContact O-CG 3.23Å; S50-K54 WeakPolarHBondContact O-CG 3.14Å; S50-K54 PolarHBondContact O-NZ 3.03Å; S50-K54 PolarHBondContact OG-NZ 2.81Å; R51-K54 WeakPolarHBondContact O-CB 3.42Å; R51-K54 PolarHBondContact O-N 3.4Å; E52-K54 VanDerWaalsContact C-N 3.3Å; E52-K54 PolarHBondContact O-N 3.33Å; K54-K57 PolarHBondContact O-N 2.86Å; K54-M58 VanDerWaalsContact O-CG 3.27Å; K54-M58 WeakPolarHBondContact O-CG 3.39Å; K54-M58 PolarHBondContact O-N 2.69Å
55	W	94.7	Very high	91.7	Very high	4 Å²	4	68.6 Å²	68.6	2%	0.015	34%	0.335	C	S	.	.	H	α-helix	trans	-65.2	-41.9	175.2	-83.4	99	0	0	0	112.4	R51 E52 K57 M58 C59 L73 R76 I81 F85 A89	R51-W55 PolarHBondContact O-N 2.86Å; E52-W55 PolarHBondContact O-N 2.91Å; W55-K57 VanDerWaalsContact C-N 3.29Å; W55-K57 PolarHBondContact O-N 3.42Å; W55-M58 HydrophobicContact CD2-CE 3.98Å; W55-M58 HydrophobicContact CD2-SD 3.94Å; W55-M58 HydrophobicContact CE3-CE 3.69Å; W55-M58 HydrophobicContact CE3-SD 4.08Å; W55-M58 HydrophobicContact CG-SD 4.28Å; W55-M58 HydrophobicContact CH2-CE 3.62Å; W55-M58 HydrophobicContact CZ2-CE 3.9Å; W55-M58 HydrophobicContact CZ3-CE 3.51Å; W55-M58 HydrophobicContact CZ3-SD 4.49Å; W55-M58 WeakPolarHBondContact O-CA 3.41Å; W55-M58 WeakPolarHBondContact O-CB 3.36Å; W55-M58 PolarHBondContact O-N 3.08Å; W55-C59 PolarHBondContact O-N 2.86Å; W55-C59 PolarHBondContact O-SG 2.83Å; W55-L73 HydrophobicContact CH2-CD1 3.89Å; W55-L73 HydrophobicContact CZ3-CD1 4.13Å; W55-R76 HydrophobicContact CZ2-CB 3.83Å; W55-I81 HydrophobicContact CD2-CG2 4.32Å; W55-I81 HydrophobicContact CH2-CD1 4.01Å; W55-I81 HydrophobicContact CH2-CG1 3.9Å; W55-I81 HydrophobicContact CZ2-CB 4.31Å; W55-I81 HydrophobicContact CZ2-CD1 4.28Å; W55-I81 HydrophobicContact CZ2-CG1 3.64Å; W55-I81 HydrophobicContact CZ2-CG2 4.3Å; W55-F85 HydrophobicContact CB-CB 4.25Å; W55-F85 HydrophobicContact CB-CD1 3.76Å; W55-F85 HydrophobicContact CB-CD2 4.22Å; W55-F85 HydrophobicContact CB-CE1 4.2Å; W55-F85 HydrophobicContact CB-CG 3.78Å; W55-A89 HydrophobicContact CE3-CB 3.96Å; W55-A89 HydrophobicContact CH2-CB 4.38Å; W55-A89 HydrophobicContact CZ3-CB 3.66Å
56	R	93.2	Very high	91.7	Very high	132 Å²	132	68 Å²	68	50%	0.498	33%	0.328	S	S	.	.	H	α-helix	trans	-54.3	-43.5	171.6	-166.8	175.8	-67.3	150.9	3.1	112.4	E52 M58 S60 F85	E52-R56 WeakPolarHBondContact O-CB 3.39Å; E52-R56 PolarHBondContact O-N 2.87Å; R56-M58 VanDerWaalsContact C-N 3.3Å; R56-M58 PolarHBondContact O-N 2.93Å; R56-S60 VanDerWaalsContact O-CB 3.28Å; R56-S60 WeakPolarHBondContact O-CB 3.16Å; R56-S60 PolarHBondContact O-N 3.34Å; R56-S60 VanDerWaalsContact O-N 3.13Å; R56-S60 PolarHBondContact O-OG 3.34Å; R56-F85 HydrophobicContact CB-CE1 4.13Å; R56-F85 HydrophobicContact CB-CZ 3.79Å; R56-F85 HydrophobicContact CG-CZ 4.45Å
57	K	93.4	Very high	91.5	Very high	154 Å²	154	67.1 Å²	67.1	67%	0.67	32%	0.323	S	S	*	.	H	α-helix	trans	-71.5	-19.7	175.6	-175.4	167	-177.7	170.5	0	113.6	L53 K54 W55 W65	L53-K57 PolarHBondContact O-N 3.04Å; K54-K57 PolarHBondContact O-N 2.86Å; W55-K57 VanDerWaalsContact C-N 3.29Å; W55-K57 PolarHBondContact O-N 3.42Å; K57-W65 PolarHBondContact O-NE1 3.36Å
58	M	93.5	Very high	91.6	Very high	0 Å²	0	71 Å²	71	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-79.5	-56.1	173.1	-67.9	157.6	65.2	0	0	111.4	K54 W55 R56 S60 N61 W62 W65 L73 R76	K54-M58 VanDerWaalsContact O-CG 3.27Å; K54-M58 WeakPolarHBondContact O-CG 3.39Å; K54-M58 PolarHBondContact O-N 2.69Å; W55-M58 HydrophobicContact CD2-CE 3.98Å; W55-M58 HydrophobicContact CD2-SD 3.94Å; W55-M58 HydrophobicContact CE3-CE 3.69Å; W55-M58 HydrophobicContact CE3-SD 4.08Å; W55-M58 HydrophobicContact CG-SD 4.28Å; W55-M58 HydrophobicContact CH2-CE 3.62Å; W55-M58 HydrophobicContact CZ2-CE 3.9Å; W55-M58 HydrophobicContact CZ3-CE 3.51Å; W55-M58 HydrophobicContact CZ3-SD 4.49Å; W55-M58 WeakPolarHBondContact O-CA 3.41Å; W55-M58 WeakPolarHBondContact O-CB 3.36Å; W55-M58 PolarHBondContact O-N 3.08Å; R56-M58 VanDerWaalsContact C-N 3.3Å; R56-M58 PolarHBondContact O-N 2.93Å; M58-S60 VanDerWaalsContact C-N 3.29Å; M58-S60 PolarHBondContact O-N 2.97Å; M58-N61 CarbonylContact O-C 3.59Å; M58-N61 PolarHBondContact O-N 3.18Å; M58-W62 WeakPolarHBondContact O-CA 3.42Å; M58-W62 PolarHBondContact O-N 3.23Å; M58-W65 VanDerWaalsContact CA-CD1 3.48Å; M58-W65 HydrophobicContact CB-CD2 4.42Å; M58-W65 HydrophobicContact CB-CG 4.12Å; M58-W65 HydrophobicContact CG-CD2 3.74Å; M58-W65 HydrophobicContact CG-CE3 4.18Å; M58-W65 HydrophobicContact CG-CG 3.97Å; M58-W65 HydrophobicContact CG-CZ2 4.39Å; M58-L73 HydrophobicContact CE-CB 4.42Å; M58-L73 HydrophobicContact CE-CD1 3.34Å; M58-L73 HydrophobicContact CE-CG 4.48Å; M58-R76 HydrophobicContact CE-CB 4.4Å; M58-R76 VanDerWaalsContact CG-NH1 3.34Å; M58-R76 WeakPolarHBondContact SD-CD 3.32Å; M58-R76 PolarHBondContact SD-NH1 2.94Å
59	C	89.5	Confident	91.8	Very high	5 Å²	5	73.5 Å²	73.5	3%	0.034	34%	0.342	C	S	.	.	H	α-helix	trans	-58.8	-40.3	-179.4	-61.3	0	0	0	0	112.5	W55 N61 W62 E88	W55-C59 PolarHBondContact O-N 2.86Å; W55-C59 PolarHBondContact O-SG 2.83Å; C59-N61 PolarHBondContact O-N 2.92Å; C59-N61 VanDerWaalsContact O-N 3.1Å; C59-W62 PolarHBondContact O-N 2.62Å; C59-E88 HydrophobicContact CB-CG 4.23Å; C59-E88 WeakPolarHBondContact CB-OE1 3.35Å; C59-E88 WeakPolarHBondContact CB-OE2 3.34Å; C59-E88 VanDerWaalsContact SG-CD 3.59Å; C59-E88 PolarHBondContact SG-OE2 2.92Å
60	S	89	Confident	91.7	Very high	79 Å²	79	73.4 Å²	73.4	55%	0.552	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-3.4	178.2	-51.3	0	0	0	0	114.4	R56 M58	R56-S60 VanDerWaalsContact O-CB 3.28Å; R56-S60 WeakPolarHBondContact O-CB 3.16Å; R56-S60 PolarHBondContact O-N 3.34Å; R56-S60 VanDerWaalsContact O-N 3.13Å; R56-S60 PolarHBondContact O-OG 3.34Å; M58-S60 VanDerWaalsContact C-N 3.29Å; M58-S60 PolarHBondContact O-N 2.97Å
61	N	90.5	Very high	91.6	Very high	75 Å²	75	75 Å²	75	40%	0.401	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.2	51.7	174.6	-164	-19.1	0	0	0	109.5	M58 C59 S63 L64 W65	M58-N61 CarbonylContact O-C 3.59Å; M58-N61 PolarHBondContact O-N 3.18Å; C59-N61 PolarHBondContact O-N 2.92Å; C59-N61 VanDerWaalsContact O-N 3.1Å; N61-S63 PolarHBondContact O-N 3.41Å; N61-L64 PolarHBondContact O-N 2.78Å; N61-L64 WeakPolarHBondContact OD1-CB 3.4Å; N61-W65 PolarHBondContact O-N 3.23Å
62	W	90.1	Very high	91.7	Very high	36 Å²	36	76.8 Å²	76.8	14%	0.136	36%	0.359	C	S	.	.	H	α-helix	trans	-59	-44.8	-165.4	-176.3	-110.4	0	0	0	113.4	M58 C59 L64 W65 Y66 L73 R92 L93	M58-W62 WeakPolarHBondContact O-CA 3.42Å; M58-W62 PolarHBondContact O-N 3.23Å; C59-W62 PolarHBondContact O-N 2.62Å; W62-L64 VanDerWaalsContact C-N 3.34Å; W62-L64 PolarHBondContact O-N 3.17Å; W62-W65 CarbonylContact O-C 3.56Å; W62-W65 PolarHBondContact O-N 2.79Å; W62-Y66 AromaticContact CZ2-CD2 3.96Å; W62-Y66 HydrophobicContact CZ2-CD2 3.96Å; W62-Y66 AromaticContact NE1-CD2 3.98Å; W62-Y66 VanDerWaalsContact O-CB 3.29Å; W62-Y66 WeakPolarHBondContact O-CB 3.43Å; W62-Y66 PolarHBondContact O-N 3.02Å; W62-L73 HydrophobicContact CH2-CD1 3.85Å; W62-L73 HydrophobicContact CH2-CD2 3.75Å; W62-L73 HydrophobicContact CH2-CG 4.48Å; W62-L73 HydrophobicContact CZ2-CD2 4.15Å; W62-L73 HydrophobicContact CZ3-CD1 4Å; W62-L73 HydrophobicContact CZ3-CD2 4.32Å; W62-R92 HydrophobicContact CD2-CB 3.88Å; W62-R92 HydrophobicContact CD2-CG 4.3Å; W62-R92 HydrophobicContact CE3-CB 4.13Å; W62-R92 HydrophobicContact CG-CB 4.5Å; W62-R92 HydrophobicContact CH2-CB 3.96Å; W62-R92 HydrophobicContact CZ2-CB 3.72Å; W62-R92 VanDerWaalsContact CZ2-O 3.25Å; W62-R92 WeakPolarHBondContact CZ2-O 3.35Å; W62-R92 HydrophobicContact CZ3-CB 4.16Å; W62-R92 PolarHBondContact NE1-O 3.3Å; W62-L93 HydrophobicContact CH2-CD2 3.83Å; W62-L93 HydrophobicContact CH2-CG 4.04Å; W62-L93 HydrophobicContact CZ2-CD2 4.13Å; W62-L93 HydrophobicContact CZ2-CG 4.42Å
63	S	88.7	Confident	91.6	Very high	70 Å²	70	76.4 Å²	76.4	49%	0.49	36%	0.357	S	S	.	.	H	α-helix	trans	-56.1	-44.6	179.6	51.3	0	0	0	0	112.6	N61 W65 Y66 F67	N61-S63 PolarHBondContact O-N 3.41Å; S63-W65 VanDerWaalsContact C-N 3.32Å; S63-W65 PolarHBondContact O-N 3.41Å; S63-Y66 PolarHBondContact O-N 3.09Å; S63-F67 VanDerWaalsContact O-CD2 3.25Å; S63-F67 WeakPolarHBondContact O-CD2 3.33Å; S63-F67 PolarHBondContact O-N 3.11Å
64	L	91.4	Very high	91.6	Very high	61 Å²	61	74.8 Å²	74.8	32%	0.319	34%	0.344	S	S	.	.	I	π-helix	trans	-62.7	-37.6	176.2	-177	66.7	0	0	0	112.4	N61 W62 K68 Y69	N61-L64 PolarHBondContact O-N 2.78Å; N61-L64 WeakPolarHBondContact OD1-CB 3.4Å; W62-L64 VanDerWaalsContact C-N 3.34Å; W62-L64 PolarHBondContact O-N 3.17Å; L64-K68 HydrophobicContact CD1-CB 4Å; L64-K68 HydrophobicContact CD1-CD 3.82Å; L64-K68 HydrophobicContact CD1-CG 4.48Å; L64-K68 WeakPolarHBondContact O-CB 3.36Å; L64-K68 PolarHBondContact O-N 2.9Å; L64-Y69 HydrophobicContact CD1-CE2 4.03Å; L64-Y69 HydrophobicContact CD2-CE2 4.06Å; L64-Y69 HydrophobicContact CG-CD2 4.03Å; L64-Y69 HydrophobicContact CG-CE2 3.77Å; L64-Y69 PolarHBondContact O-N 2.78Å
65	W	91.4	Very high	91.6	Very high	32 Å²	32	73 Å²	73	12%	0.121	34%	0.338	C	S	.	.	I	π-helix	trans	-78.2	-34.5	178.4	-76.2	95.5	0	0	0	113.6	K57 M58 N61 W62 S63 Y69 H70 K72	K57-W65 PolarHBondContact O-NE1 3.36Å; M58-W65 VanDerWaalsContact CA-CD1 3.48Å; M58-W65 HydrophobicContact CB-CD2 4.42Å; M58-W65 HydrophobicContact CB-CG 4.12Å; M58-W65 HydrophobicContact CG-CD2 3.74Å; M58-W65 HydrophobicContact CG-CE3 4.18Å; M58-W65 HydrophobicContact CG-CG 3.97Å; M58-W65 HydrophobicContact CG-CZ2 4.39Å; N61-W65 PolarHBondContact O-N 3.23Å; W62-W65 CarbonylContact O-C 3.56Å; W62-W65 PolarHBondContact O-N 2.79Å; S63-W65 VanDerWaalsContact C-N 3.32Å; S63-W65 PolarHBondContact O-N 3.41Å; W65-Y69 HydrophobicContact CD2-CD2 4.21Å; W65-Y69 HydrophobicContact CE3-CD2 4.15Å; W65-Y69 HydrophobicContact CE3-CG 4.24Å; W65-Y69 HydrophobicContact CZ3-CD2 4.31Å; W65-Y69 HydrophobicContact CZ3-CG 4.3Å; W65-Y69 CarbonylContact O-C 3.08Å; W65-H70 PolarHBondContact O-N 2.98Å; W65-H70 VanDerWaalsContact O-N 3.14Å; W65-K72 HydrophobicContact CZ3-CB 3.96Å
66	Y	86.8	Confident	91.6	Very high	60 Å²	60	75.7 Å²	75.7	24%	0.235	35%	0.349	C	S	.	.	I	π-helix	trans	-73.6	-49.6	179.8	-175.1	-102.1	0	0	0	111.7	W62 S63 H70 L73 R396	W62-Y66 AromaticContact CZ2-CD2 3.96Å; W62-Y66 HydrophobicContact CZ2-CD2 3.96Å; W62-Y66 AromaticContact NE1-CD2 3.98Å; W62-Y66 VanDerWaalsContact O-CB 3.29Å; W62-Y66 WeakPolarHBondContact O-CB 3.43Å; W62-Y66 PolarHBondContact O-N 3.02Å; S63-Y66 PolarHBondContact O-N 3.09Å; Y66-H70 WeakPolarHBondContact O-CB 3.33Å; Y66-L73 HydrophobicContact CD2-CD2 4.43Å; Y66-R396 WeakPolarHBondContact OH-CD 3.25Å
67	F	87.8	Confident	91.6	Very high	139 Å²	139	69.4 Å²	69.4	61%	0.61	33%	0.325	S	S	*	.	I	π-helix	trans	-83	-59.6	-179.7	-61.3	-66.6	0	0	0	112.1	S63 H70	S63-F67 VanDerWaalsContact O-CD2 3.25Å; S63-F67 WeakPolarHBondContact O-CD2 3.33Å; S63-F67 PolarHBondContact O-N 3.11Å; F67-H70 PolarHBondContact O-ND1 3.17Å
68	K	92	Very high	91.6	Very high	146 Å²	146	63.7 Å²	63.7	64%	0.635	30%	0.302	S	S	*	.	I	π-helix	trans	-80.8	-26.8	-169.7	-166.4	171.2	-172.8	165.7	0	114.5	L64	L64-K68 HydrophobicContact CD1-CB 4Å; L64-K68 HydrophobicContact CD1-CD 3.82Å; L64-K68 HydrophobicContact CD1-CG 4.48Å; L64-K68 WeakPolarHBondContact O-CB 3.36Å; L64-K68 PolarHBondContact O-N 2.9Å
69	Y	92.7	Very high	91.5	Very high	82 Å²	82	70.1 Å²	70.1	32%	0.322	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.5	27.4	-175.8	-56.7	-54	0	0	0	114.1	L64 W65 Q71 K72 L73	L64-Y69 HydrophobicContact CD1-CE2 4.03Å; L64-Y69 HydrophobicContact CD2-CE2 4.06Å; L64-Y69 HydrophobicContact CG-CD2 4.03Å; L64-Y69 HydrophobicContact CG-CE2 3.77Å; L64-Y69 PolarHBondContact O-N 2.78Å; W65-Y69 HydrophobicContact CD2-CD2 4.21Å; W65-Y69 HydrophobicContact CE3-CD2 4.15Å; W65-Y69 HydrophobicContact CE3-CG 4.24Å; W65-Y69 HydrophobicContact CZ3-CD2 4.31Å; W65-Y69 HydrophobicContact CZ3-CG 4.3Å; W65-Y69 CarbonylContact O-C 3.08Å; Y69-Q71 VanDerWaalsContact C-N 3.28Å; Y69-Q71 PolarHBondContact O-N 3.35Å; Y69-Q71 VanDerWaalsContact O-N 3.12Å; Y69-K72 WeakPolarHBondContact O-CA 3.46Å; Y69-K72 PolarHBondContact O-N 2.85Å; Y69-L73 PolarHBondContact O-N 2.9Å
70	H	89.3	Confident	91.7	Very high	119 Å²	119	70.2 Å²	70.2	55%	0.551	33%	0.332	S	S	*	.	H	α-helix	trans	-46.8	-45.1	-177.3	62.6	-94.2	0	0	0	113.5	W65 Y66 F67 K72 L73 R74	W65-H70 PolarHBondContact O-N 2.98Å; W65-H70 VanDerWaalsContact O-N 3.14Å; Y66-H70 WeakPolarHBondContact O-CB 3.33Å; F67-H70 PolarHBondContact O-ND1 3.17Å; H70-K72 VanDerWaalsContact C-N 3.34Å; H70-K72 PolarHBondContact O-N 3.38Å; H70-L73 WeakPolarHBondContact O-CB 3.34Å; H70-L73 PolarHBondContact O-N 2.96Å; H70-R74 WeakPolarHBondContact O-CB 3.26Å; H70-R74 PolarHBondContact O-N 3.49Å
71	Q	93.1	Very high	92	Very high	82 Å²	82	66.6 Å²	66.6	38%	0.383	31%	0.306	S	S	.	.	H	α-helix	trans	-65.7	-34.9	179.3	-177	55.8	51	0	0	112.2	Y69 R74 D75	Y69-Q71 VanDerWaalsContact C-N 3.28Å; Y69-Q71 PolarHBondContact O-N 3.35Å; Y69-Q71 VanDerWaalsContact O-N 3.12Å; Q71-R74 PolarHBondContact O-N 3.17Å; Q71-D75 PolarHBondContact NE2-OD1 3.38Å; Q71-D75 WeakPolarHBondContact O-CB 3.43Å; Q71-D75 PolarHBondContact O-N 3.43Å
72	K	94.5	Very high	92.2	Very high	117 Å²	117	63.6 Å²	63.6	51%	0.509	29%	0.29	S	S	.	.	H	α-helix	trans	-77.6	-23.5	176.1	-69.2	176.8	179	172.5	0	113.1	W65 Y69 H70 R76	W65-K72 HydrophobicContact CZ3-CB 3.96Å; Y69-K72 WeakPolarHBondContact O-CA 3.46Å; Y69-K72 PolarHBondContact O-N 2.85Å; H70-K72 VanDerWaalsContact C-N 3.34Å; H70-K72 PolarHBondContact O-N 3.38Å; K72-R76 WeakPolarHBondContact O-CG 3.13Å
73	L	93.3	Very high	92.2	Very high	9 Å²	9	63.3 Å²	63.3	5%	0.047	29%	0.291	C	S	.	.	H	α-helix	trans	-67.9	-52.1	166.3	163.6	61.5	0	0	0	109.3	W55 M58 W62 Y66 Y69 H70 D75 R76 C77 L93	W55-L73 HydrophobicContact CH2-CD1 3.89Å; W55-L73 HydrophobicContact CZ3-CD1 4.13Å; M58-L73 HydrophobicContact CE-CB 4.42Å; M58-L73 HydrophobicContact CE-CD1 3.34Å; M58-L73 HydrophobicContact CE-CG 4.48Å; W62-L73 HydrophobicContact CH2-CD1 3.85Å; W62-L73 HydrophobicContact CH2-CD2 3.75Å; W62-L73 HydrophobicContact CH2-CG 4.48Å; W62-L73 HydrophobicContact CZ2-CD2 4.15Å; W62-L73 HydrophobicContact CZ3-CD1 4Å; W62-L73 HydrophobicContact CZ3-CD2 4.32Å; Y66-L73 HydrophobicContact CD2-CD2 4.43Å; Y69-L73 PolarHBondContact O-N 2.9Å; H70-L73 WeakPolarHBondContact O-CB 3.34Å; H70-L73 PolarHBondContact O-N 2.96Å; L73-D75 PolarHBondContact O-N 2.83Å; L73-R76 WeakPolarHBondContact O-CA 3.3Å; L73-R76 WeakPolarHBondContact O-CB 3.39Å; L73-R76 PolarHBondContact O-N 3.43Å; L73-C77 PolarHBondContact O-N 3.17Å; L73-C77 VanDerWaalsContact O-N 3.09Å; L73-C77 PolarHBondContact O-SG 3.18Å; L73-L93 HydrophobicContact CD1-CD2 4.4Å; L73-L93 HydrophobicContact CD2-CD2 4.27Å
74	R	93.7	Very high	92.3	Very high	73 Å²	73	62.1 Å²	62.1	28%	0.275	28%	0.284	S	S	.	.	H	α-helix	trans	-55.7	-45.3	175	-173.1	169.2	-178.7	-103.1	-10.2	112.6	H70 Q71 R76 C77 L78 D571	H70-R74 WeakPolarHBondContact O-CB 3.26Å; H70-R74 PolarHBondContact O-N 3.49Å; Q71-R74 PolarHBondContact O-N 3.17Å; R74-R76 PolarHBondContact O-N 2.84Å; R74-C77 PolarHBondContact O-N 2.8Å; R74-C77 VanDerWaalsContact O-N 3.16Å; R74-L78 HydrophobicContact CG-CD1 4.03Å; R74-L78 HydrophobicContact CG-CG 4.5Å; R74-L78 WeakPolarHBondContact O-CB 3.45Å; R74-L78 WeakPolarHBondContact O-CD1 3.37Å; R74-L78 WeakPolarHBondContact O-CG 3.48Å; R74-L78 PolarHBondContact O-N 2.92Å; R74-D571 WeakPolarHBondContact CD-OD1 3.41Å; R74-D571 IonicContact CZ-OD1 3.67Å; R74-D571 IonicContact CZ-OD2 2.77Å; R74-D571 VanDerWaalsContact CZ-OD2 3.29Å; R74-D571 VanDerWaalsContact NE-CG 3.3Å; R74-D571 IonicContact NE-OD1 3.84Å; R74-D571 PolarHBondContact NE-OD1 3.41Å; R74-D571 IonicContact NE-OD2 3.31Å; R74-D571 PolarHBondContact NE-OD2 2.91Å; R74-D571 IonicContact NH2-OD1 2.72Å; R74-D571 IonicContact NH2-OD2 2.87Å; R74-D571 PolarHBondContact NH2-OD2 3.22Å
75	D	94.3	Very high	92.4	Very high	57 Å²	57	60.1 Å²	60.1	31%	0.305	27%	0.272	S	S	.	.	H	α-helix	trans	-57.6	-16.7	173.4	-70.3	-15.6	0	0	0	114.4	Q71 L73 K79	Q71-D75 PolarHBondContact NE2-OD1 3.38Å; Q71-D75 WeakPolarHBondContact O-CB 3.43Å; Q71-D75 PolarHBondContact O-N 3.43Å; L73-D75 PolarHBondContact O-N 2.83Å; D75-K79 WeakPolarHBondContact O-CD 3.43Å; D75-K79 WeakPolarHBondContact O-CE 3.22Å; D75-K79 VanDerWaalsContact O-CG 3.29Å; D75-K79 WeakPolarHBondContact O-CG 3.41Å
76	R	94.9	Very high	92.6	Very high	61 Å²	61	59 Å²	59	23%	0.23	27%	0.268	C	S	.	.	H	α-helix	trans	-97.9	-38.1	175.6	-70.5	175	-178.5	147.5	6.3	112.2	W55 M58 K72 L73 R74 L78 K79 G80	W55-R76 HydrophobicContact CZ2-CB 3.83Å; M58-R76 HydrophobicContact CE-CB 4.4Å; M58-R76 VanDerWaalsContact CG-NH1 3.34Å; M58-R76 WeakPolarHBondContact SD-CD 3.32Å; M58-R76 PolarHBondContact SD-NH1 2.94Å; K72-R76 WeakPolarHBondContact O-CG 3.13Å; L73-R76 WeakPolarHBondContact O-CA 3.3Å; L73-R76 WeakPolarHBondContact O-CB 3.39Å; L73-R76 PolarHBondContact O-N 3.43Å; R74-R76 PolarHBondContact O-N 2.84Å; R76-L78 PolarHBondContact O-N 2.91Å; R76-K79 PolarHBondContact O-N 2.71Å; R76-G80 PolarHBondContact O-N 3.12Å; R76-G80 VanDerWaalsContact O-N 3.09Å
77	C	94.7	Very high	92.9	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-56.4	-37.7	165.7	-54.7	0	0	0	0	110.8	L73 R74 K79 G80 R563 L567 C570	L73-C77 PolarHBondContact O-N 3.17Å; L73-C77 VanDerWaalsContact O-N 3.09Å; L73-C77 PolarHBondContact O-SG 3.18Å; R74-C77 PolarHBondContact O-N 2.8Å; R74-C77 VanDerWaalsContact O-N 3.16Å; C77-K79 VanDerWaalsContact C-N 3.26Å; C77-K79 PolarHBondContact O-N 3.22Å; C77-G80 PolarHBondContact O-N 3.33Å; C77-R563 PolarHBondContact O-NH1 3.43Å; C77-R563 PolarHBondContact O-NH2 3.24Å; C77-L567 HydrophobicContact CB-CD2 4.47Å; C77-C570 HydrophobicContact CB-CB 3.83Å
78	L	92.7	Very high	93.1	Very high	35 Å²	35	53.8 Å²	53.8	18%	0.183	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-21.2	171.9	-71.8	166.8	0	0	0	114.7	R74 R76 R563 L567 V625	R74-L78 HydrophobicContact CG-CD1 4.03Å; R74-L78 HydrophobicContact CG-CG 4.5Å; R74-L78 WeakPolarHBondContact O-CB 3.45Å; R74-L78 WeakPolarHBondContact O-CD1 3.37Å; R74-L78 WeakPolarHBondContact O-CG 3.48Å; R74-L78 PolarHBondContact O-N 2.92Å; R76-L78 PolarHBondContact O-N 2.91Å; L78-R563 PolarHBondContact O-NH2 3.4Å; L78-L567 HydrophobicContact CD2-CD2 3.7Å; L78-L567 HydrophobicContact CG-CD2 4.1Å; L78-V625 HydrophobicContact CD2-CB 4.14Å; L78-V625 HydrophobicContact CD2-CG1 3.76Å; L78-V625 HydrophobicContact CD2-CG2 3.21Å
79	K	92	Very high	93.2	Very high	135 Å²	135	46.8 Å²	46.8	59%	0.587	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104	-9.2	-179.5	-71.5	169.4	-171.2	162.4	0	114.2	R51 D75 R76 C77	R51-K79 PolarHBondContact NH1-O 3.34Å; D75-K79 WeakPolarHBondContact O-CD 3.43Å; D75-K79 WeakPolarHBondContact O-CE 3.22Å; D75-K79 VanDerWaalsContact O-CG 3.29Å; D75-K79 WeakPolarHBondContact O-CG 3.41Å; R76-K79 PolarHBondContact O-N 2.71Å; C77-K79 VanDerWaalsContact C-N 3.26Å; C77-K79 PolarHBondContact O-N 3.22Å
80	G	93.7	Very high	93.4	Very high	7 Å²	7	42.9 Å²	42.9	7%	0.072	21%	0.205	C	C	.	.			trans	107.3	121.3	-174.8	0	0	0	0	0	112.5	R76 C77 R563	R76-G80 PolarHBondContact O-N 3.12Å; R76-G80 VanDerWaalsContact O-N 3.09Å; C77-G80 PolarHBondContact O-N 3.33Å; G80-R563 VanDerWaalsContact CA-CZ 3.44Å; G80-R563 VanDerWaalsContact N-CZ 3.34Å
81	I	94.9	Very high	93.6	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.015	18%	0.18	C	C	.	.			trans	-74.5	129.8	162.5	-49.2	-177.4	0	0	0	106.7	W55 F85 R86 A89 L93 D566	W55-I81 HydrophobicContact CD2-CG2 4.32Å; W55-I81 HydrophobicContact CH2-CD1 4.01Å; W55-I81 HydrophobicContact CH2-CG1 3.9Å; W55-I81 HydrophobicContact CZ2-CB 4.31Å; W55-I81 HydrophobicContact CZ2-CD1 4.28Å; W55-I81 HydrophobicContact CZ2-CG1 3.64Å; W55-I81 HydrophobicContact CZ2-CG2 4.3Å; I81-F85 HydrophobicContact CG2-CB 4.07Å; I81-R86 HydrophobicContact CB-CG 4.23Å; I81-R86 HydrophobicContact CG2-CG 4.05Å; I81-R86 PolarHBondContact O-NH2 2.95Å; I81-A89 HydrophobicContact CD1-CB 3.99Å; I81-A89 HydrophobicContact CG2-CB 3.79Å; I81-L93 HydrophobicContact CD1-CD1 4.09Å; I81-D566 WeakPolarHBondContact CB-OD1 3.43Å; I81-D566 HydrophobicContact CD1-CB 4.02Å; I81-D566 WeakPolarHBondContact CD1-OD1 3.28Å; I81-D566 HydrophobicContact CG1-CB 3.97Å; I81-D566 VanDerWaalsContact CG1-CG 3.46Å; I81-D566 WeakPolarHBondContact CG1-OD1 3.45Å; I81-D566 PolarHBondContact N-OD2 2.88Å
82	P	93.8	Very high	93.6	Very high	11 Å²	11	36.1 Å²	36.1	7%	0.071	17%	0.171	C	C	.	.			trans	-58.8	144.3	172.1	-23	33.7	0	0	0	111.1	R51 E52 S84 F85 R86	R51-P82 HydrophobicContact CB-CG 3.71Å; E52-P82 HydrophobicContact CG-CB 3.86Å; E52-P82 HydrophobicContact CG-CG 4.11Å; P82-S84 VanDerWaalsContact C-N 3.25Å; P82-S84 PolarHBondContact O-N 2.78Å; P82-F85 HydrophobicContact CB-CD2 4.44Å; P82-F85 PolarHBondContact O-N 2.71Å; P82-R86 PolarHBondContact O-N 3.1Å
83	D	91.3	Very high	93.5	Very high	30 Å²	30	30.9 Å²	30.9	16%	0.16	15%	0.149	C	C	.	.	H	α-helix	trans	-51.6	-46.2	-177.6	-53.9	-27.3	0	0	0	111.7	R25 F85 R86 F482	R25-D83 IonicContact CZ-OD2 3.31Å; R25-D83 IonicContact NE-OD2 3.71Å; R25-D83 IonicContact NH2-OD2 2.62Å; R25-D83 PolarHBondContact NH2-OD2 3.27Å; D83-F85 PolarHBondContact O-N 2.95Å; D83-F85 VanDerWaalsContact O-N 3.07Å; D83-R86 PolarHBondContact O-N 3.17Å; D83-R86 IonicContact OD1-CZ 3.33Å; D83-R86 IonicContact OD1-NH1 3.3Å; D83-R86 PolarHBondContact OD1-NH1 2.73Å; D83-R86 IonicContact OD1-NH2 3.1Å; D83-R86 PolarHBondContact OD1-NH2 3.13Å; D83-F482 HydrophobicContact CB-CE1 4.42Å
84	S	90.6	Very high	93.5	Very high	46 Å²	46	30.4 Å²	30.4	32%	0.322	15%	0.146	S	C	.	.	H	α-helix	trans	-64.2	-8.7	178.1	60.2	0	0	0	0	115.7	E52 P82	E52-S84 PolarHBondContact OE1-OG 3.41Å; P82-S84 VanDerWaalsContact C-N 3.25Å; P82-S84 PolarHBondContact O-N 2.78Å
85	F	93.5	Very high	93.2	Very high	19 Å²	19	28.2 Å²	28.2	8%	0.083	14%	0.143	C	C	.	.	H	α-helix	trans	-114.1	-6.5	178.1	-86.2	-86.1	0	0	0	113.9	E52 W55 R56 I81 P82 D83 C87 E88 A89	E52-F85 HydrophobicContact CB-CD2 4.16Å; E52-F85 HydrophobicContact CB-CE2 3.73Å; E52-F85 HydrophobicContact CG-CD2 4.06Å; E52-F85 HydrophobicContact CG-CE2 4.03Å; E52-F85 WeakPolarHBondContact O-CE2 3.46Å; W55-F85 HydrophobicContact CB-CB 4.25Å; W55-F85 HydrophobicContact CB-CD1 3.76Å; W55-F85 HydrophobicContact CB-CD2 4.22Å; W55-F85 HydrophobicContact CB-CE1 4.2Å; W55-F85 HydrophobicContact CB-CG 3.78Å; R56-F85 HydrophobicContact CB-CE1 4.13Å; R56-F85 HydrophobicContact CB-CZ 3.79Å; R56-F85 HydrophobicContact CG-CZ 4.45Å; I81-F85 HydrophobicContact CG2-CB 4.07Å; P82-F85 HydrophobicContact CB-CD2 4.44Å; P82-F85 PolarHBondContact O-N 2.71Å; D83-F85 PolarHBondContact O-N 2.95Å; D83-F85 VanDerWaalsContact O-N 3.07Å; F85-C87 VanDerWaalsContact C-N 3.34Å; F85-C87 PolarHBondContact O-N 3.26Å; F85-E88 PolarHBondContact O-N 3.23Å; F85-A89 WeakPolarHBondContact O-CB 3.2Å; F85-A89 PolarHBondContact O-N 3.06Å
86	R	95.1	Very high	92.9	Very high	9 Å²	9	25.6 Å²	25.6	3%	0.034	13%	0.13	C	C	.	.	H	α-helix	trans	-62.1	-40.6	-177.8	-63.4	-146.8	-173.5	78.1	21.1	112.7	I81 P82 D83 E88 A89 W90 F482 D566	I81-R86 HydrophobicContact CB-CG 4.23Å; I81-R86 HydrophobicContact CG2-CG 4.05Å; I81-R86 PolarHBondContact O-NH2 2.95Å; P82-R86 PolarHBondContact O-N 3.1Å; D83-R86 PolarHBondContact O-N 3.17Å; D83-R86 IonicContact OD1-CZ 3.33Å; D83-R86 IonicContact OD1-NH1 3.3Å; D83-R86 PolarHBondContact OD1-NH1 2.73Å; D83-R86 IonicContact OD1-NH2 3.1Å; D83-R86 PolarHBondContact OD1-NH2 3.13Å; R86-E88 PolarHBondContact O-N 3.35Å; R86-A89 PolarHBondContact O-N 3.31Å; R86-W90 HydrophobicContact CB-CD2 4Å; R86-W90 HydrophobicContact CB-CE3 4.32Å; R86-W90 HydrophobicContact CB-CG 4.44Å; R86-W90 HydrophobicContact CB-CZ2 4.24Å; R86-W90 VanDerWaalsContact CD-CE2 3.5Å; R86-W90 HydrophobicContact CG-CZ2 4.29Å; R86-W90 VanDerWaalsContact O-CB 3.23Å; R86-W90 WeakPolarHBondContact O-CB 3.48Å; R86-W90 VanDerWaalsContact O-CG 3.3Å; R86-W90 PolarHBondContact O-N 2.86Å; R86-F482 HydrophobicContact CB-CD1 4.21Å; R86-D566 WeakPolarHBondContact CD-OD1 3.17Å; R86-D566 IonicContact NE-OD1 3.45Å; R86-D566 PolarHBondContact NE-OD1 3.43Å; R86-D566 VanDerWaalsContact NE-OD1 3.09Å; R86-D566 IonicContact NE-OD2 3.59Å
87	C	93.3	Very high	92.4	Very high	30 Å²	30	23 Å²	23	20%	0.203	12%	0.121	C	C	.	.	H	α-helix	trans	-44	-61.3	172.7	178.6	0	0	0	0	112.6	F85 Q91 F482 M483	F85-C87 VanDerWaalsContact C-N 3.34Å; F85-C87 PolarHBondContact O-N 3.26Å; C87-Q91 WeakPolarHBondContact O-CB 3.39Å; C87-Q91 VanDerWaalsContact O-CG 3.31Å; C87-Q91 WeakPolarHBondContact O-CG 3.11Å; C87-Q91 PolarHBondContact O-N 2.92Å; C87-Q91 PolarHBondContact O-NE2 3.18Å; C87-Q91 PolarHBondContact SG-NE2 2.85Å; C87-Q91 VanDerWaalsContact SG-NE2 3.42Å; C87-F482 WeakPolarHBondContact CB-O 3.29Å; C87-M483 HydrophobicContact CB-CB 4.13Å; C87-M483 VanDerWaalsContact SG-CB 3.52Å
88	E	92.7	Very high	92	Very high	58 Å²	58	23.1 Å²	23.1	27%	0.271	12%	0.121	S	C	.	.	H	α-helix	trans	-74.9	-40.3	-178.2	-175.7	178.9	-154.4	0	0	112.3	C59 F85 R86 R92	C59-E88 HydrophobicContact CB-CG 4.23Å; C59-E88 WeakPolarHBondContact CB-OE1 3.35Å; C59-E88 WeakPolarHBondContact CB-OE2 3.34Å; C59-E88 VanDerWaalsContact SG-CD 3.59Å; C59-E88 PolarHBondContact SG-OE2 2.92Å; F85-E88 PolarHBondContact O-N 3.23Å; R86-E88 PolarHBondContact O-N 3.35Å; E88-R92 HydrophobicContact CG-CG 4.32Å; E88-R92 VanDerWaalsContact CG-NE 3.35Å; E88-R92 WeakPolarHBondContact O-CB 3.27Å; E88-R92 VanDerWaalsContact O-CG 3.27Å; E88-R92 WeakPolarHBondContact O-CG 3.37Å; E88-R92 PolarHBondContact O-N 3.05Å; E88-R92 IonicContact OE1-CZ 3.4Å; E88-R92 VanDerWaalsContact OE1-CZ 3.27Å; E88-R92 IonicContact OE1-NE 2.73Å; E88-R92 PolarHBondContact OE1-NE 3.23Å; E88-R92 IonicContact OE1-NH2 3.16Å; E88-R92 PolarHBondContact OE1-NH2 3.27Å
89	A	94.1	Very high	91.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-70.2	-40.9	-174.2	0	0	0	0	0	112.7	W55 I81 F85 R86 R92 L93	W55-A89 HydrophobicContact CE3-CB 3.96Å; W55-A89 HydrophobicContact CH2-CB 4.38Å; W55-A89 HydrophobicContact CZ3-CB 3.66Å; I81-A89 HydrophobicContact CD1-CB 3.99Å; I81-A89 HydrophobicContact CG2-CB 3.79Å; F85-A89 WeakPolarHBondContact O-CB 3.2Å; F85-A89 PolarHBondContact O-N 3.06Å; R86-A89 PolarHBondContact O-N 3.31Å; A89-R92 PolarHBondContact O-N 2.94Å; A89-L93 VanDerWaalsContact O-CB 3.31Å; A89-L93 WeakPolarHBondContact O-CB 3.48Å; A89-L93 WeakPolarHBondContact O-CG 3.22Å; A89-L93 PolarHBondContact O-N 2.89Å
90	W	96.1	Very high	90.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-65.9	-47.3	175.6	-67.8	-10	0	0	0	110.8	R86 R92 L93 C94 V478 L479 F482 M483 L562 W565 D566 F569	R86-W90 HydrophobicContact CB-CD2 4Å; R86-W90 HydrophobicContact CB-CE3 4.32Å; R86-W90 HydrophobicContact CB-CG 4.44Å; R86-W90 HydrophobicContact CB-CZ2 4.24Å; R86-W90 VanDerWaalsContact CD-CE2 3.5Å; R86-W90 HydrophobicContact CG-CZ2 4.29Å; R86-W90 VanDerWaalsContact O-CB 3.23Å; R86-W90 WeakPolarHBondContact O-CB 3.48Å; R86-W90 VanDerWaalsContact O-CG 3.3Å; R86-W90 PolarHBondContact O-N 2.86Å; W90-R92 VanDerWaalsContact C-N 3.3Å; W90-R92 PolarHBondContact O-N 3.33Å; W90-L93 PolarHBondContact O-N 3.18Å; W90-L93 VanDerWaalsContact O-N 3.1Å; W90-C94 PolarHBondContact O-N 3.4Å; W90-C94 PolarHBondContact O-SG 2.76Å; W90-V478 HydrophobicContact CH2-CG1 4.5Å; W90-L479 HydrophobicContact CE3-CD2 4.03Å; W90-L479 HydrophobicContact CZ3-CD2 4.2Å; W90-F482 HydrophobicContact CH2-CD2 4.05Å; W90-F482 HydrophobicContact CH2-CE2 4.37Å; W90-F482 HydrophobicContact CZ3-CB 4.4Å; W90-F482 HydrophobicContact CZ3-CD2 4Å; W90-F482 HydrophobicContact CZ3-CG 4.33Å; W90-M483 HydrophobicContact CE3-CE 3.9Å; W90-L562 HydrophobicContact CH2-CD2 4.3Å; W90-W565 HydrophobicContact CE3-CE3 4.27Å; W90-W565 HydrophobicContact CH2-CB 4.19Å; W90-W565 HydrophobicContact CH2-CD2 4.31Å; W90-W565 AromaticContact CH2-CE3 3.54Å; W90-W565 HydrophobicContact CH2-CE3 3.54Å; W90-W565 HydrophobicContact CH2-CZ3 4.32Å; W90-W565 HydrophobicContact CZ2-CB 3.6Å; W90-W565 HydrophobicContact CZ2-CE3 4.03Å; W90-W565 HydrophobicContact CZ2-CG 4.45Å; W90-W565 AromaticContact CZ3-CE3 3.68Å; W90-W565 HydrophobicContact CZ3-CE3 3.68Å; W90-W565 HydrophobicContact CZ3-CZ3 4.08Å; W90-D566 PolarHBondContact NE1-OD1 3.17Å; W90-D566 VanDerWaalsContact NE1-OD1 3.14Å; W90-F569 HydrophobicContact CB-CD1 4.46Å; W90-F569 HydrophobicContact CB-CD2 3.81Å; W90-F569 HydrophobicContact CB-CE1 4.35Å; W90-F569 HydrophobicContact CB-CE2 3.69Å; W90-F569 HydrophobicContact CB-CG 4.2Å; W90-F569 HydrophobicContact CB-CZ 3.96Å; W90-F569 AromaticContact CD1-CD2 3.44Å; W90-F569 VanDerWaalsContact CD1-CD2 3.44Å; W90-F569 AromaticContact CD1-CE2 3.92Å; W90-F569 AromaticContact CD2-CD2 3.78Å; W90-F569 HydrophobicContact CD2-CD2 3.78Å; W90-F569 AromaticContact CD2-CE2 3.42Å; W90-F569 HydrophobicContact CD2-CE2 3.42Å; W90-F569 VanDerWaalsContact CD2-CE2 3.42Å; W90-F569 HydrophobicContact CD2-CZ 4.33Å; W90-F569 AromaticContact CE2-CD2 3.95Å; W90-F569 AromaticContact CE2-CE2 3.89Å; W90-F569 AromaticContact CE3-CE2 3.8Å; W90-F569 HydrophobicContact CE3-CE2 3.8Å; W90-F569 HydrophobicContact CE3-CZ 4.44Å; W90-F569 AromaticContact CG-CD2 3.41Å; W90-F569 HydrophobicContact CG-CD2 3.41Å; W90-F569 VanDerWaalsContact CG-CD2 3.41Å; W90-F569 AromaticContact CG-CE2 3.42Å; W90-F569 HydrophobicContact CG-CE2 3.42Å; W90-F569 VanDerWaalsContact CG-CE2 3.42Å; W90-F569 HydrophobicContact CG-CG 4.19Å; W90-F569 HydrophobicContact CG-CZ 4.19Å; W90-F569 AromaticContact NE1-CD2 3.79Å
91	Q	93.9	Very high	89.6	Confident	6 Å²	6	24.7 Å²	24.7	3%	0.028	14%	0.136	C	C	.	.	H	α-helix	trans	-53.2	-45.6	173.3	-78.8	177.8	72.7	0	0	112.1	C87 C94 A95 S96 V99 D487 T491	C87-Q91 WeakPolarHBondContact O-CB 3.39Å; C87-Q91 VanDerWaalsContact O-CG 3.31Å; C87-Q91 WeakPolarHBondContact O-CG 3.11Å; C87-Q91 PolarHBondContact O-N 2.92Å; C87-Q91 PolarHBondContact O-NE2 3.18Å; C87-Q91 PolarHBondContact SG-NE2 2.85Å; C87-Q91 VanDerWaalsContact SG-NE2 3.42Å; Q91-C94 PolarHBondContact O-SG 3.46Å; Q91-A95 WeakPolarHBondContact O-CA 3.45Å; Q91-A95 PolarHBondContact O-N 3.09Å; Q91-S96 PolarHBondContact O-N 2.92Å; Q91-V99 VanDerWaalsContact C-CG2 3.41Å; Q91-V99 HydrophobicContact CB-CG2 3.82Å; Q91-V99 VanDerWaalsContact O-CG2 3.24Å; Q91-V99 WeakPolarHBondContact O-CG2 3.45Å; Q91-D487 PolarHBondContact NE2-OD2 3.44Å; Q91-T491 VanDerWaalsContact CG-OG1 3.27Å; Q91-T491 WeakPolarHBondContact CG-OG1 3.47Å
92	R	92.4	Very high	88.2	Confident	52 Å²	52	33.5 Å²	33.5	20%	0.196	18%	0.178	C	C	.	.	H	α-helix	trans	-71.1	-29.8	178	-73.3	-175.3	-172	-64.2	-9.3	114.1	W62 E88 A89 W90 V99	W62-R92 HydrophobicContact CD2-CB 3.88Å; W62-R92 HydrophobicContact CD2-CG 4.3Å; W62-R92 HydrophobicContact CE3-CB 4.13Å; W62-R92 HydrophobicContact CG-CB 4.5Å; W62-R92 HydrophobicContact CH2-CB 3.96Å; W62-R92 HydrophobicContact CZ2-CB 3.72Å; W62-R92 VanDerWaalsContact CZ2-O 3.25Å; W62-R92 WeakPolarHBondContact CZ2-O 3.35Å; W62-R92 HydrophobicContact CZ3-CB 4.16Å; W62-R92 PolarHBondContact NE1-O 3.3Å; E88-R92 HydrophobicContact CG-CG 4.32Å; E88-R92 VanDerWaalsContact CG-NE 3.35Å; E88-R92 WeakPolarHBondContact O-CB 3.27Å; E88-R92 VanDerWaalsContact O-CG 3.27Å; E88-R92 WeakPolarHBondContact O-CG 3.37Å; E88-R92 PolarHBondContact O-N 3.05Å; E88-R92 IonicContact OE1-CZ 3.4Å; E88-R92 VanDerWaalsContact OE1-CZ 3.27Å; E88-R92 IonicContact OE1-NE 2.73Å; E88-R92 PolarHBondContact OE1-NE 3.23Å; E88-R92 IonicContact OE1-NH2 3.16Å; E88-R92 PolarHBondContact OE1-NH2 3.27Å; A89-R92 PolarHBondContact O-N 2.94Å; W90-R92 VanDerWaalsContact C-N 3.3Å; W90-R92 PolarHBondContact O-N 3.33Å; R92-V99 HydrophobicContact CG-CG1 3.95Å; R92-V99 HydrophobicContact CG-CG2 4.07Å; R92-V99 VanDerWaalsContact NH1-CG1 3.33Å
93	L	93.3	Very high	86.9	Confident	7 Å²	7	38.5 Å²	38.5	4%	0.037	20%	0.195	C	C	.	.	H	α-helix	trans	-78.2	-33.7	176.4	-75.4	169.8	0	0	0	112.7	W62 L73 I81 A89 W90 R396 Y499 F569 C570	W62-L93 HydrophobicContact CH2-CD2 3.83Å; W62-L93 HydrophobicContact CH2-CG 4.04Å; W62-L93 HydrophobicContact CZ2-CD2 4.13Å; W62-L93 HydrophobicContact CZ2-CG 4.42Å; L73-L93 HydrophobicContact CD1-CD2 4.4Å; L73-L93 HydrophobicContact CD2-CD2 4.27Å; I81-L93 HydrophobicContact CD1-CD1 4.09Å; A89-L93 VanDerWaalsContact O-CB 3.31Å; A89-L93 WeakPolarHBondContact O-CB 3.48Å; A89-L93 WeakPolarHBondContact O-CG 3.22Å; A89-L93 PolarHBondContact O-N 2.89Å; W90-L93 PolarHBondContact O-N 3.18Å; W90-L93 VanDerWaalsContact O-N 3.1Å; L93-R396 VanDerWaalsContact O-CZ 3.26Å; L93-R396 PolarHBondContact O-NH1 3.25Å; L93-R396 PolarHBondContact O-NH2 3.35Å; L93-Y499 PolarHBondContact O-OH 2.92Å; L93-Y499 VanDerWaalsContact O-OH 3.09Å; L93-F569 HydrophobicContact CB-CB 3.88Å; L93-F569 HydrophobicContact CD1-CB 4.02Å; L93-C570 HydrophobicContact CD1-CB 4.42Å; L93-C570 HydrophobicContact CD2-CB 4.46Å
94	C	91.8	Very high	84.9	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-79.4	-21.9	171.4	65.9	0	0	0	0	113.7	W90 Q91 S96 R396 E494 R498 Y499 F569	W90-C94 PolarHBondContact O-N 3.4Å; W90-C94 PolarHBondContact O-SG 2.76Å; Q91-C94 PolarHBondContact O-SG 3.46Å; C94-S96 VanDerWaalsContact SG-CB 3.58Å; C94-R396 VanDerWaalsContact C-NH2 3.27Å; C94-R396 VanDerWaalsContact CA-NH2 3.34Å; C94-R396 PolarHBondContact O-NE 2.97Å; C94-R396 PolarHBondContact O-NH2 2.82Å; C94-E494 HydrophobicContact CB-CB 3.91Å; C94-E494 HydrophobicContact CB-CG 4.31Å; C94-R498 PolarHBondContact O-NH1 2.79Å; C94-Y499 WeakPolarHBondContact CA-OH 3.28Å; C94-Y499 HydrophobicContact CB-CE2 3.8Å; C94-F569 HydrophobicContact CB-CD1 3.96Å; C94-F569 HydrophobicContact CB-CE1 4.01Å
95	A	88.2	Confident	83.1	Confident	26 Å²	26	53.3 Å²	53.3	22%	0.215	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.2	47.6	-168.2	0	0	0	0	0	112.4	Q91 R396	Q91-A95 WeakPolarHBondContact O-CA 3.45Å; Q91-A95 PolarHBondContact O-N 3.09Å; A95-R396 HydrophobicContact CB-CB 4.22Å
96	S	88	Confident	80.6	Confident	2 Å²	2	58.7 Å²	58.7	1%	0.014	28%	0.278	C	S	.	.			trans	-62	142.9	173.6	166.8	0	0	0	0	112	Q91 C94 M98 V99 W490	Q91-S96 PolarHBondContact O-N 2.92Å; C94-S96 VanDerWaalsContact SG-CB 3.58Å; S96-M98 PolarHBondContact O-N 2.86Å; S96-M98 VanDerWaalsContact O-N 3.11Å; S96-M98 PolarHBondContact OG-N 2.88Å; S96-V99 WeakPolarHBondContact O-CB 3.12Å; S96-V99 WeakPolarHBondContact O-CG2 3.49Å; S96-V99 PolarHBondContact O-N 3.33Å; S96-W490 WeakPolarHBondContact OG-CB 3.47Å
97	P	85.4	Confident	77.6	Confident	6 Å²	6	63.2 Å²	63.2	4%	0.039	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-53.7	-31.7	175.9	11.1	-21.9	0	0	0	113.8	V99 L100 T398 V400 P407 W490	P97-V99 PolarHBondContact O-N 2.91Å; P97-V99 VanDerWaalsContact O-N 3.07Å; P97-L100 PolarHBondContact O-N 3.47Å; P97-T398 HydrophobicContact CB-CG2 3.8Å; P97-T398 HydrophobicContact CG-CG2 3.92Å; P97-V400 HydrophobicContact CB-CG2 4.1Å; P97-V400 HydrophobicContact CG-CG2 4Å; P97-P407 HydrophobicContact CB-CB 4.15Å; P97-P407 HydrophobicContact CB-CG 3.78Å; P97-W490 HydrophobicContact CG-CB 4Å; P97-W490 HydrophobicContact CG-CD2 3.56Å; P97-W490 HydrophobicContact CG-CE3 3.42Å; P97-W490 VanDerWaalsContact CG-CE3 3.42Å; P97-W490 HydrophobicContact CG-CG 3.83Å; P97-W490 HydrophobicContact CG-CZ3 4.1Å
98	M	86.6	Confident	74.6	Confident	3 Å²	3	66.8 Å²	66.8	2%	0.015	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-65.4	-10.2	179.2	-68.5	-57.1	-63.9	0	0	114.2	S96 L100 V101 P407 E408 V486 D487 W490	S96-M98 PolarHBondContact O-N 2.86Å; S96-M98 VanDerWaalsContact O-N 3.11Å; S96-M98 PolarHBondContact OG-N 2.88Å; M98-L100 VanDerWaalsContact C-N 3.27Å; M98-L100 PolarHBondContact O-N 2.7Å; M98-V101 HydrophobicContact CE-CB 4.22Å; M98-V101 HydrophobicContact CE-CG1 4.36Å; M98-V101 HydrophobicContact CE-CG2 4.07Å; M98-V101 PolarHBondContact O-N 3.13Å; M98-V101 HydrophobicContact SD-CG2 3.87Å; M98-P407 HydrophobicContact SD-CB 3.81Å; M98-E408 HydrophobicContact CE-CG 3.8Å; M98-E408 HydrophobicContact SD-CG 4.18Å; M98-V486 HydrophobicContact CE-CG1 4.02Å; M98-V486 HydrophobicContact CE-CG2 4.11Å; M98-V486 HydrophobicContact SD-CG2 3.92Å; M98-D487 WeakPolarHBondContact CE-OD1 3.27Å; M98-W490 HydrophobicContact CG-CB 3.73Å; M98-W490 VanDerWaalsContact CG-CD1 3.42Å; M98-W490 HydrophobicContact CG-CG 3.83Å
99	V	80.2	Confident	71.6	Confident	39 Å²	39	70 Å²	70	24%	0.236	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-66.9	-27.6	170.9	176.9	0	0	0	0	112.4	Q91 R92 S96 P97	Q91-V99 VanDerWaalsContact C-CG2 3.41Å; Q91-V99 HydrophobicContact CB-CG2 3.82Å; Q91-V99 VanDerWaalsContact O-CG2 3.24Å; Q91-V99 WeakPolarHBondContact O-CG2 3.45Å; R92-V99 HydrophobicContact CG-CG1 3.95Å; R92-V99 HydrophobicContact CG-CG2 4.07Å; R92-V99 VanDerWaalsContact NH1-CG1 3.33Å; S96-V99 WeakPolarHBondContact O-CB 3.12Å; S96-V99 WeakPolarHBondContact O-CG2 3.49Å; S96-V99 PolarHBondContact O-N 3.33Å; P97-V99 PolarHBondContact O-N 2.91Å; P97-V99 VanDerWaalsContact O-N 3.07Å
100	L	71.5	Confident	68.7	Low	135 Å²	135	78.2 Å²	78.2	71%	0.707	39%	0.388	S	S	*	.	S	Bend	trans	-84.9	-20.1	-179.3	-57.9	177.9	0	0	0	112.7	P97 M98 Q102	P97-L100 PolarHBondContact O-N 3.47Å; M98-L100 VanDerWaalsContact C-N 3.27Å; M98-L100 PolarHBondContact O-N 2.7Å; L100-Q102 PolarHBondContact O-N 2.91Å
101	V	74.8	Confident	65.7	Low	36 Å²	36	84.4 Å²	84.4	22%	0.218	43%	0.426	C	S	.	.	S	Bend	trans	-72.4	114.6	-176	-180	0	0	0	0	110.7	M98 R103 P407	M98-V101 HydrophobicContact CE-CB 4.22Å; M98-V101 HydrophobicContact CE-CG1 4.36Å; M98-V101 HydrophobicContact CE-CG2 4.07Å; M98-V101 PolarHBondContact O-N 3.13Å; M98-V101 HydrophobicContact SD-CG2 3.87Å; V101-R103 PolarHBondContact O-N 3.29Å; V101-R103 VanDerWaalsContact O-N 3.07Å; V101-P407 HydrophobicContact CG2-CG 4.25Å
102	Q	66	Low	62.6	Low	189 Å²	189	88.7 Å²	88.7	88%	0.883	46%	0.463	S	S	*	.			trans	-74.3	97.4	-178.3	-66.5	-169.9	16.4	0	0	112	L100	L100-Q102 PolarHBondContact O-N 2.91Å
103	R	67.3	Low	59.6	Low	115 Å²	115	95.2 Å²	95.2	43%	0.434	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-80.4	122.9	175.2	-59.9	177	-150.9	-155.9	1.2	110.8	V101 R105 D487	V101-R103 PolarHBondContact O-N 3.29Å; V101-R103 VanDerWaalsContact O-N 3.07Å; R103-R105 PolarHBondContact O-N 3.19Å; R103-D487 IonicContact CZ-OD1 3.47Å; R103-D487 VanDerWaalsContact CZ-OD1 3.3Å; R103-D487 IonicContact CZ-OD2 3.7Å; R103-D487 VanDerWaalsContact NH1-CG 3.34Å; R103-D487 IonicContact NH1-OD1 3.65Å; R103-D487 PolarHBondContact NH1-OD1 3.45Å; R103-D487 IonicContact NH1-OD2 3.41Å; R103-D487 PolarHBondContact NH1-OD2 2.87Å; R103-D487 IonicContact NH2-OD1 2.81Å; R103-D487 PolarHBondContact NH2-OD1 3.09Å; R103-D487 IonicContact NH2-OD2 3.71Å; R103-D487 PolarHBondContact NH2-OD2 3.08Å; R103-D487 VanDerWaalsContact NH2-OD2 3.08Å
104	Q	49.4	Very low	56.8	Low	187 Å²	187	101.4 Å²	101.4	87%	0.874	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-62.4	121.6	166	-67	-174.9	-1.3	0	0	108.8	I106	Q104-I106 PolarHBondContact O-N 3.49Å
105	R	52.3	Low	53.9	Low	201 Å²	201	110.4 Å²	110.4	76%	0.758	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-72.6	118.7	172.5	-67.5	179.3	179.6	162.8	1.2	107.7	R103 T107	R103-R105 PolarHBondContact O-N 3.19Å; R105-T107 PolarHBondContact O-N 3.16Å
106	I	41.1	Very low	51.2	Low	131 Å²	131	116.2 Å²	116.2	67%	0.672	61%	0.606	S	S	*	*			trans	-65.3	103.8	170.4	-57.6	176	0	0	0	107.4	Q104	Q104-I106 PolarHBondContact O-N 3.49Å
107	T	32.1	Very low	48.7	Very low	104 Å²	104	122 Å²	122	64%	0.638	64%	0.641	S	S	*	*			trans	-86.8	110.7	162.8	40.7	0	0	0	0	107.5	R105 D109	R105-T107 PolarHBondContact O-N 3.16Å; T107-D109 VanDerWaalsContact C-N 3.27Å; T107-D109 PolarHBondContact O-N 3.28Å
108	C	29.9	Very low	46.1	Very low	106 Å²	106	129.3 Å²	129.3	72%	0.716	68%	0.679	S	S	*	*			trans	-76.1	83.3	171.6	-60.3	0	0	0	0	109	E110	C108-E110 PolarHBondContact O-N 3.04Å; C108-E110 VanDerWaalsContact O-N 3.12Å
109	D	28.7	Very low	43.6	Very low	125 Å²	125	136 Å²	136	67%	0.668	72%	0.72	S	S	*	*			trans	-73	97.6	168.6	-69.5	-25.9	0	0	0	108.3	T107 T111	T107-D109 VanDerWaalsContact C-N 3.27Å; T107-D109 PolarHBondContact O-N 3.28Å; D109-T111 PolarHBondContact O-N 3.05Å
110	E	33.9	Very low	41.3	Very low	173 Å²	173	140 Å²	140	81%	0.808	75%	0.745	S	S	*	*			trans	-70.9	49.1	180	-65.7	-173.9	136.3	0	0	112.7	C108	C108-E110 PolarHBondContact O-N 3.04Å; C108-E110 VanDerWaalsContact O-N 3.12Å
111	T	32.4	Very low	39.5	Very low	129 Å²	129	143 Å²	143	79%	0.791	76%	0.755	S	S	*	*			trans	-141.7	52.2	-176.4	60.6	0	0	0	0	113.3	D109	D109-T111 PolarHBondContact O-N 3.05Å
112	A	30	Very low	37.6	Very low	97 Å²	97	145 Å²	145	80%	0.802	78%	0.784	S	S	*	*			trans	-142.2	14.3	-179.4	0	0	0	0	0	116.4
113	E	29.9	Very low	36	Very low	189 Å²	189	142.6 Å²	142.6	88%	0.883	78%	0.782	S	S	*	*			trans	-114.4	92.4	177.1	-71.1	-166.1	161	0	0	113
114	T	32.7	Very low	34.5	Very low	136 Å²	136	142 Å²	142	83%	0.834	80%	0.796	S	S	*	*			trans	-177.2	154.3	141.7	15.9	0	0	0	0	111.9
115	K	31.6	Very low	33.8	Very low	190 Å²	190	141.9 Å²	141.9	83%	0.826	80%	0.795	S	S	*	*			trans	67.9	96.3	172.9	-55.9	174	-172.5	176.2	0	116.9
116	T	31	Very low	32.9	Very low	147 Å²	147	137.1 Å²	137.1	90%	0.902	79%	0.793	S	S	*	*				-148.3	125.7	111	-69.8	0	0	0	0	107.6
117	T	35.6	Very low	32.6	Very low	124 Å²	124	136.7 Å²	136.7	76%	0.761	80%	0.796	S	S	*	*			trans	-99.6	154	-175.3	-53.3	0	0	0	0	110.3
118	L	31.5	Very low	32.7	Very low	160 Å²	160	139.1 Å²	139.1	84%	0.838	81%	0.805	S	S	*	*			trans	-67.8	138.6	-177.7	-52.3	97.8	0	0	0	113
119	T	34.9	Very low	32.7	Very low	143 Å²	143	142.9 Å²	142.9	88%	0.877	81%	0.812	S	S	*	*			trans	-143.5	145.4	149.7	48	0	0	0	0	108.7
120	T	31.1	Very low	33	Very low	124 Å²	124	142.1 Å²	142.1	76%	0.761	82%	0.816	S	S	*	*			trans	-115.6	176.8	-165.6	-35.8	0	0	0	0	111.6
121	E	34.1	Very low	32.8	Very low	196 Å²	196	141.4 Å²	141.4	92%	0.916	82%	0.818	S	S	*	*			trans	82	151.8	165.8	-57.1	169.5	-154	0	0	117.7
122	G	34.4	Very low	32.9	Very low	80 Å²	80	145 Å²	145	83%	0.825	82%	0.823	S	S	*	*			trans	133.5	57.6	170.8	0	0	0	0	0	118.6
123	T	31.6	Very low	32.7	Very low	138 Å²	138	146.3 Å²	146.3	85%	0.847	83%	0.826	S	S	*	*			trans	-60.8	135.4	177.6	-50.5	0	0	0	0	115.3
124	S	35.7	Very low	32.9	Very low	102 Å²	102	146.3 Å²	146.3	71%	0.713	82%	0.823	S	S	*	*				168.1	134.6	128.1	-76.7	0	0	0	0	116.7
125	Q	36.4	Very low	32.6	Very low	184 Å²	184	149.9 Å²	149.9	86%	0.86	83%	0.827	S	S	*	*			trans	24.7	146.2	132.1	-63.4	177.5	9.4	0	0	121.7
126	S	31.9	Very low	32.4	Very low	101 Å²	101	145.6 Å²	145.6	71%	0.706	82%	0.819	S	S	*	*			cis	-173.9	169	-7.4	57.3	0	0	0	0	114.1
127	V	36.2	Very low	32.2	Very low	123 Å²	123	148.6 Å²	148.6	75%	0.745	82%	0.819	S	S	*	*			trans	92.4	138.1	146.9	161.6	0	0	0	0	122.7
128	D	32.9	Very low	31.8	Very low	154 Å²	154	150.7 Å²	150.7	82%	0.824	82%	0.82	S	S	*	*			trans	73.5	134.5	162.3	-76.5	-15.7	0	0	0	125.4
129	H	31.3	Very low	31.5	Very low	186 Å²	186	153 Å²	153	86%	0.861	82%	0.818	S	S	*	*			trans	-125.4	145.7	174.3	-71.4	-77.5	0	0	0	110.4
130	S	34.1	Very low	31.1	Very low	108 Å²	108	155.5 Å²	155.5	76%	0.755	82%	0.817	S	S	*	*				178.9	135.3	121.4	43.4	0	0	0	0	115.2
131	N	30.7	Very low	30.7	Very low	159 Å²	159	153 Å²	153	85%	0.85	82%	0.816	S	S	*	*			trans	45.7	82	143.2	-59.7	-10.3	0	0	0	120.5
132	K	33.2	Very low	30.3	Very low	204 Å²	204	150 Å²	150	89%	0.887	81%	0.811	S	S	*	*			trans	-130.9	114.2	134.5	-78.9	-174.3	177.7	170.1	0	110.2	K134	K132-K134 PolarHBondContact O-N 3.23Å; K132-K134 VanDerWaalsContact O-N 3.08Å
133	S	27	Very low	29.8	Very low	124 Å²	124	153.5 Å²	153.5	87%	0.867	81%	0.81	S	S	*	*			trans	-73	96.8	-179.1	38.6	0	0	0	0	111.9
134	K	32.6	Very low	29.6	Very low	189 Å²	189	152.5 Å²	152.5	82%	0.822	81%	0.808	S	S	*	*			trans	-119	108.9	162.7	-75.5	-175.6	174.3	-178.2	0	108.8	K132 P136	K132-K134 PolarHBondContact O-N 3.23Å; K132-K134 VanDerWaalsContact O-N 3.08Å; K134-P136 WeakPolarHBondContact O-CD 3.18Å
135	F	26.1	Very low	29.1	Very low	211 Å²	211	154.3 Å²	154.3	93%	0.925	81%	0.81	S	S	*	*			trans	-63.7	121	172.4	-91.5	-86	0	0	0	110.2
136	P	27.5	Very low	28.7	Very low	100 Å²	100	156 Å²	156	65%	0.649	81%	0.809	S	S	*	*			trans	-87.1	154.7	-178.7	34.7	-34.1	0	0	0	112.3	K134 H138	K134-P136 WeakPolarHBondContact O-CD 3.18Å; P136-H138 PolarHBondContact O-N 3.37Å; P136-H138 VanDerWaalsContact O-N 3.17Å
137	K	27.7	Very low	28.7	Very low	211 Å²	211	157.4 Å²	157.4	92%	0.917	81%	0.813	S	S	*	*			trans	-82.8	87.3	179.7	-68.1	179.9	177.6	178.9	0	112.6
138	H	28.1	Very low	28.5	Very low	168 Å²	168	154.2 Å²	154.2	78%	0.778	79%	0.792	S	S	*	*			trans	-102.4	128.1	151.8	-77.5	-104.2	0	0	0	106.8	P136	P136-H138 PolarHBondContact O-N 3.37Å; P136-H138 VanDerWaalsContact O-N 3.17Å
139	R	25	Very low	28.3	Very low	208 Å²	208	154.4 Å²	154.4	79%	0.785	78%	0.782	S	S	*	*			cis	68.5	118.1	25.2	-141	180	-161.7	-166.6	4.3	113.5
140	F	25	Very low	28.2	Very low	195 Å²	195	154 Å²	154	86%	0.855	78%	0.778	S	S	*	*			trans	74.8	100.1	-172.5	-55.9	-76.3	0	0	0	115.6
141	G	23.4	Very low	28	Very low	72 Å²	72	149.4 Å²	149.4	74%	0.742	75%	0.746	S	S	*	*			trans	-127.5	88.2	169.6	0	0	0	0	0	110.1
142	T	24.9	Very low	28.1	Very low	133 Å²	133	144.9 Å²	144.9	82%	0.816	72%	0.722	S	S	*	*			trans	31	106.1	159.3	56	0	0	0	0	119.3
143	L	24.6	Very low	27.9	Very low	153 Å²	153	142.1 Å²	142.1	80%	0.801	71%	0.712	S	S	*	*			trans	-54.9	139.2	132.7	-79.9	163.3	0	0	0	108.3	N145	L143-N145 PolarHBondContact O-N 2.92Å
144	S	27	Very low	28.2	Very low	117 Å²	117	140 Å²	140	82%	0.818	69%	0.689	S	S	*	*			trans	-72	89.2	-178.5	-168.4	0	0	0	0	111.5	R146	S144-R146 PolarHBondContact O-N 3.35Å
145	N	26.5	Very low	28.3	Very low	140 Å²	140	132.9 Å²	132.9	75%	0.749	66%	0.662	S	S	*	*			trans	-77.1	80.4	178.1	-90.6	-15.9	0	0	0	111.6	L143	L143-N145 PolarHBondContact O-N 2.92Å
146	R	27.3	Very low	28.8	Very low	220 Å²	220	128.5 Å²	128.5	83%	0.83	65%	0.646	S	S	*	*	S	Bend	trans	-158.1	153.8	150.3	-103.8	143.6	-163.6	-139.3	1.2	112.1	S144 N148	S144-R146 PolarHBondContact O-N 3.35Å; R146-N148 VanDerWaalsContact C-N 3.35Å; R146-N148 PolarHBondContact O-N 3.43Å
147	T	30.8	Very low	29	Very low	131 Å²	131	125.6 Å²	125.6	80%	0.804	63%	0.627	S	S	*	*	S	Bend	trans	53.7	-51.2	172.4	53.6	0	0	0	0	120.3	Y149	T147-Y149 PolarHBondContact O-N 3.21Å
148	N	33.7	Very low	29.2	Very low	56 Å²	56	116 Å²	116	30%	0.299	59%	0.587	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.2	5.5	-158.4	-122.6	-31.9	0	0	0	117.3	R146 K150 S151	R146-N148 VanDerWaalsContact C-N 3.35Å; R146-N148 PolarHBondContact O-N 3.43Å; N148-K150 PolarHBondContact O-N 3.46Å; N148-S151 PolarHBondContact O-N 3.29Å; N148-S151 VanDerWaalsContact OD1-CB 3.23Å; N148-S151 WeakPolarHBondContact OD1-CB 3.17Å; N148-S151 PolarHBondContact OD1-OG 3.04Å
149	Y	27.6	Very low	29.5	Very low	158 Å²	158	109.6 Å²	109.6	62%	0.62	56%	0.56	S	S	*	*	H	α-helix	trans	-71.7	-24.5	-176.8	-141.9	-83.8	0	0	0	114	T147	T147-Y149 PolarHBondContact O-N 3.21Å
150	K	29	Very low	29.9	Very low	176 Å²	176	100 Å²	100	77%	0.765	53%	0.525	S	S	*	.	H	α-helix	trans	-71.6	-42.4	175.2	-73.8	-173.3	175.1	-176.9	0	111.9	N148 L152 Q153	N148-K150 PolarHBondContact O-N 3.46Å; K150-L152 VanDerWaalsContact C-N 3.25Å; K150-L152 PolarHBondContact O-N 3.37Å; K150-Q153 PolarHBondContact O-N 2.79Å
151	S	31.5	Very low	30.1	Very low	12 Å²	12	96.2 Å²	96.2	8%	0.084	51%	0.508	C	S	.	.	H	α-helix	trans	-56.1	-39.8	175.8	-37.6	0	0	0	0	112.1	N148 Q153 M154 V155 H447	N148-S151 PolarHBondContact O-N 3.29Å; N148-S151 VanDerWaalsContact OD1-CB 3.23Å; N148-S151 WeakPolarHBondContact OD1-CB 3.17Å; N148-S151 PolarHBondContact OD1-OG 3.04Å; S151-Q153 PolarHBondContact O-N 3.04Å; S151-M154 WeakPolarHBondContact O-CA 3.41Å; S151-M154 WeakPolarHBondContact O-CB 3.36Å; S151-M154 PolarHBondContact O-N 3.46Å; S151-V155 WeakPolarHBondContact O-CG2 3.28Å; S151-V155 PolarHBondContact O-N 3.06Å; S151-H447 PolarHBondContact OG-CE1 2.87Å; S151-H447 PolarHBondContact OG-ND1 3.1Å
152	L	31.5	Very low	30.6	Very low	65 Å²	65	97.1 Å²	97.1	34%	0.34	49%	0.489	S	S	.	.	H	α-helix	trans	-67.9	-29.6	-177.9	-73.4	169.1	0	0	0	113.9	K150 M154 I156 P484	K150-L152 VanDerWaalsContact C-N 3.25Å; K150-L152 PolarHBondContact O-N 3.37Å; L152-M154 PolarHBondContact O-N 3.12Å; L152-I156 HydrophobicContact CD2-CD1 4.08Å; L152-I156 PolarHBondContact O-N 3.37Å; L152-P484 HydrophobicContact CD2-CG 4.15Å
153	Q	28.7	Very low	30.9	Very low	146 Å²	146	94.1 Å²	94.1	68%	0.682	47%	0.471	S	S	*	.	H	α-helix	trans	-72.9	-13.5	170.5	-77.7	-159.1	-10.4	0	0	113.2	K150 S151 T157	K150-Q153 PolarHBondContact O-N 2.79Å; S151-Q153 PolarHBondContact O-N 3.04Å; Q153-T157 VanDerWaalsContact O-CG2 3.3Å; Q153-T157 WeakPolarHBondContact O-CG2 3.49Å; Q153-T157 PolarHBondContact O-OG1 3.1Å
154	M	33.1	Very low	31.4	Very low	79 Å²	79	88.6 Å²	88.6	39%	0.389	45%	0.445	S	S	.	.	H	α-helix	trans	-90.3	-50.6	174.5	-55.2	-96.4	-87.6	0	0	110.2	S151 L152 I156 T157 R162 E439	S151-M154 WeakPolarHBondContact O-CA 3.41Å; S151-M154 WeakPolarHBondContact O-CB 3.36Å; S151-M154 PolarHBondContact O-N 3.46Å; L152-M154 PolarHBondContact O-N 3.12Å; M154-I156 PolarHBondContact O-N 3.32Å; M154-T157 PolarHBondContact O-OG1 2.86Å; M154-R162 PolarHBondContact SD-NH2 3.2Å; M154-E439 HydrophobicContact CE-CB 4.23Å; M154-E439 HydrophobicContact CE-CG 3.59Å; M154-E439 WeakPolarHBondContact CE-OE1 3.39Å
155	V	36.4	Very low	31.7	Very low	40 Å²	40	87.9 Å²	87.9	24%	0.242	43%	0.429	C	S	.	.	H	α-helix	trans	-69.9	-25.1	-171.9	174.3	0	0	0	0	113.9	S151 F482	S151-V155 WeakPolarHBondContact O-CG2 3.28Å; S151-V155 PolarHBondContact O-N 3.06Å; V155-F482 VanDerWaalsContact CG1-C 3.42Å; V155-F482 WeakPolarHBondContact CG1-O 3.44Å
156	I	35.3	Very low	32.2	Very low	118 Å²	118	86.5 Å²	86.5	61%	0.605	42%	0.42	S	S	*	.	S	Bend	trans	-105.4	-12.7	-173.8	-60.5	-179.4	0	0	0	113.4	L152 M154 S158	L152-I156 HydrophobicContact CD2-CD1 4.08Å; L152-I156 PolarHBondContact O-N 3.37Å; M154-I156 PolarHBondContact O-N 3.32Å; I156-S158 PolarHBondContact O-N 3.45Å
157	T	31.6	Very low	32.7	Very low	39 Å²	39	83.5 Å²	83.5	24%	0.239	41%	0.413	C	S	.	.			trans	-75.5	91.1	175	56.4	0	0	0	0	111.8	Q153 M154 R162	Q153-T157 VanDerWaalsContact O-CG2 3.3Å; Q153-T157 WeakPolarHBondContact O-CG2 3.49Å; Q153-T157 PolarHBondContact O-OG1 3.1Å; M154-T157 PolarHBondContact O-OG1 2.86Å; T157-R162 PolarHBondContact OG1-NE 3.05Å
158	S	32.7	Very low	33	Very low	11 Å²	11	81.2 Å²	81.2	8%	0.077	39%	0.393	C	S	.	.			trans	-42.7	134.2	160.8	-178.2	0	0	0	0	109.2	E52 I156 S160 F161 R162	E52-S158 PolarHBondContact OE1-OG 3.39Å; I156-S158 PolarHBondContact O-N 3.45Å; S158-S160 PolarHBondContact O-N 3.05Å; S158-F161 WeakPolarHBondContact O-CA 3.39Å; S158-F161 WeakPolarHBondContact O-CB 3.48Å; S158-F161 PolarHBondContact O-N 2.92Å; S158-R162 PolarHBondContact O-N 2.9Å
159	P	35.2	Very low	33.4	Very low	33 Å²	33	82.2 Å²	82.2	21%	0.214	40%	0.398	C	S	.	.	H	α-helix	trans	-56.9	-21.7	-178.9	-29.8	36.6	0	0	0	114.1	R25 F161 R162 T163	R25-P159 HydrophobicContact CB-CG 4.21Å; P159-F161 PolarHBondContact O-N 2.88Å; P159-R162 PolarHBondContact O-N 3.01Å; P159-T163 WeakPolarHBondContact O-CB 3.47Å; P159-T163 WeakPolarHBondContact O-CG2 3.44Å; P159-T163 PolarHBondContact O-N 2.99Å; P159-T163 PolarHBondContact O-OG1 3.38Å
160	S	32.5	Very low	34.4	Very low	6 Å²	6	78.8 Å²	78.8	4%	0.042	39%	0.391	C	S	.	.	H	α-helix	trans	-64.2	-15.8	170	-59.3	0	0	0	0	114.5	S158 S164	S158-S160 PolarHBondContact O-N 3.05Å; S160-S164 PolarHBondContact O-OG 3.33Å
161	F	30	Very low	35	Very low	116 Å²	116	77.7 Å²	77.7	51%	0.509	38%	0.382	S	S	.	.	H	α-helix	trans	-100.8	-35.6	173.4	-85.9	-87.7	0	0	0	112.8	S158 P159 S164 Q165	S158-F161 WeakPolarHBondContact O-CA 3.39Å; S158-F161 WeakPolarHBondContact O-CB 3.48Å; S158-F161 PolarHBondContact O-N 2.92Å; P159-F161 PolarHBondContact O-N 2.88Å; F161-S164 WeakPolarHBondContact CA-OG 3.22Å; F161-S164 PolarHBondContact O-N 3.37Å; F161-S164 PolarHBondContact O-OG 2.89Å; F161-Q165 VanDerWaalsContact O-CB 3.32Å; F161-Q165 WeakPolarHBondContact O-CB 3.43Å; F161-Q165 WeakPolarHBondContact O-CG 3.25Å; F161-Q165 PolarHBondContact O-N 3.19Å
162	R	32	Very low	35.3	Very low	90 Å²	90	84.5 Å²	84.5	34%	0.34	41%	0.406	S	S	.	.	H	α-helix	trans	-63.9	-41.7	170	-75.5	-170.2	178.9	-170.7	-5.4	111.3	M154 T157 S158 P159 S164 Q165 I166 E439	M154-R162 PolarHBondContact SD-NH2 3.2Å; T157-R162 PolarHBondContact OG1-NE 3.05Å; S158-R162 PolarHBondContact O-N 2.9Å; P159-R162 PolarHBondContact O-N 3.01Å; R162-S164 VanDerWaalsContact C-N 3.33Å; R162-S164 PolarHBondContact O-N 2.92Å; R162-Q165 PolarHBondContact O-N 3.22Å; R162-I166 WeakPolarHBondContact O-CG1 3.28Å; R162-I166 PolarHBondContact O-N 3.49Å; R162-E439 IonicContact NH1-OE1 2.72Å
163	T	31.9	Very low	36.1	Very low	71 Å²	71	87.5 Å²	87.5	44%	0.436	42%	0.416	S	S	.	.	H	α-helix	trans	-71.3	-23	177.1	52.4	0	0	0	0	114.1	P159	P159-T163 WeakPolarHBondContact O-CB 3.47Å; P159-T163 WeakPolarHBondContact O-CG2 3.44Å; P159-T163 PolarHBondContact O-N 2.99Å; P159-T163 PolarHBondContact O-OG1 3.38Å
164	S	34.9	Very low	37	Very low	37 Å²	37	85.1 Å²	85.1	26%	0.259	41%	0.408	S	S	.	.	H	α-helix	trans	-77.7	-50.8	163.9	61.9	0	0	0	0	110.9	S160 F161 R162 I166 K167 E168	S160-S164 PolarHBondContact O-OG 3.33Å; F161-S164 WeakPolarHBondContact CA-OG 3.22Å; F161-S164 PolarHBondContact O-N 3.37Å; F161-S164 PolarHBondContact O-OG 2.89Å; R162-S164 VanDerWaalsContact C-N 3.33Å; R162-S164 PolarHBondContact O-N 2.92Å; S164-I166 PolarHBondContact O-N 3.43Å; S164-K167 CarbonylContact O-C 3.05Å; S164-K167 WeakPolarHBondContact O-CA 3.45Å; S164-K167 PolarHBondContact O-N 3.06Å; S164-E168 VanDerWaalsContact O-CB 3.28Å; S164-E168 WeakPolarHBondContact O-CB 3.32Å; S164-E168 PolarHBondContact O-N 3.48Å
165	Q	33.5	Very low	37.2	Very low	102 Å²	102	85.3 Å²	85.3	48%	0.477	41%	0.41	S	S	.	.	H	α-helix	trans	-58	-38.9	-176	-83.9	-178.6	-41	0	0	113.6	F161 R162 K167 E168 D169	F161-Q165 VanDerWaalsContact O-CB 3.32Å; F161-Q165 WeakPolarHBondContact O-CB 3.43Å; F161-Q165 WeakPolarHBondContact O-CG 3.25Å; F161-Q165 PolarHBondContact O-N 3.19Å; R162-Q165 PolarHBondContact O-N 3.22Å; Q165-K167 VanDerWaalsContact C-N 3.33Å; Q165-K167 PolarHBondContact O-N 3.47Å; Q165-E168 PolarHBondContact O-N 3.11Å; Q165-D169 VanDerWaalsContact O-CB 3.23Å; Q165-D169 WeakPolarHBondContact O-CB 3.38Å; Q165-D169 PolarHBondContact O-N 3.09Å
166	I	36.4	Very low	37.2	Very low	110 Å²	110	89.9 Å²	89.9	56%	0.564	43%	0.426	S	S	*	.	H	α-helix	trans	-62.4	-42.9	175.1	-66.2	166.6	0	0	0	110.7	R162 S164 D170	R162-I166 WeakPolarHBondContact O-CG1 3.28Å; R162-I166 PolarHBondContact O-N 3.49Å; S164-I166 PolarHBondContact O-N 3.43Å; I166-D170 WeakPolarHBondContact O-CB 3.48Å; I166-D170 PolarHBondContact O-N 3.22Å
167	K	38.5	Very low	37.8	Very low	158 Å²	158	92.4 Å²	92.4	69%	0.687	43%	0.428	S	S	*	.	H	α-helix	trans	-76.8	-23.8	177.2	-69.5	-174	175	-176.9	0	113.9	S164 Q165 R171	S164-K167 CarbonylContact O-C 3.05Å; S164-K167 WeakPolarHBondContact O-CA 3.45Å; S164-K167 PolarHBondContact O-N 3.06Å; Q165-K167 VanDerWaalsContact C-N 3.33Å; Q165-K167 PolarHBondContact O-N 3.47Å; K167-R171 VanDerWaalsContact O-CB 3.26Å; K167-R171 WeakPolarHBondContact O-CB 3.29Å; K167-R171 WeakPolarHBondContact O-CG 3.19Å; K167-R171 PolarHBondContact O-N 3.36Å
168	E	37.6	Very low	38.4	Very low	83 Å²	83	97.9 Å²	97.9	39%	0.388	45%	0.449	S	S	.	.	H	α-helix	trans	-90.8	-25.7	-179.5	-146.5	67.7	-116.5	0	0	111.7	S164 Q165 R171 R172	S164-E168 VanDerWaalsContact O-CB 3.28Å; S164-E168 WeakPolarHBondContact O-CB 3.32Å; S164-E168 PolarHBondContact O-N 3.48Å; Q165-E168 PolarHBondContact O-N 3.11Å; E168-R171 CarbonylContact O-C 3.25Å; E168-R171 VanDerWaalsContact OE1-CD 3.29Å; E168-R171 WeakPolarHBondContact OE1-CD 3.29Å; E168-R171 IonicContact OE1-NH1 2.81Å; E168-R172 WeakPolarHBondContact O-CA 3.31Å; E168-R172 WeakPolarHBondContact O-CB 3.49Å; E168-R172 WeakPolarHBondContact O-CG 3.49Å; E168-R172 PolarHBondContact O-N 3.28Å
169	D	41.1	Very low	38.5	Very low	76 Å²	76	103.6 Å²	103.6	41%	0.406	48%	0.478	S	S	.	.	H	α-helix	trans	-77.9	-37.4	165.9	-84.5	-8.2	0	0	0	110.8	Q165 R171 R172 K173	Q165-D169 VanDerWaalsContact O-CB 3.23Å; Q165-D169 WeakPolarHBondContact O-CB 3.38Å; Q165-D169 PolarHBondContact O-N 3.09Å; D169-R171 VanDerWaalsContact C-N 3.34Å; D169-R172 CarbonylContact O-C 3.58Å; D169-R172 PolarHBondContact O-N 2.9Å; D169-K173 VanDerWaalsContact O-CB 3.3Å; D169-K173 WeakPolarHBondContact O-CB 3.42Å; D169-K173 WeakPolarHBondContact O-CD 3.43Å; D169-K173 WeakPolarHBondContact O-CG 3.4Å; D169-K173 PolarHBondContact O-N 2.99Å
170	D	49.2	Very low	38.5	Very low	87 Å²	87	107.7 Å²	107.7	47%	0.465	49%	0.494	S	S	.	.	H	α-helix	trans	-69.9	-33.1	169.7	-72.2	-11.7	0	0	0	111.4	I166 K173 L174	I166-D170 WeakPolarHBondContact O-CB 3.48Å; I166-D170 PolarHBondContact O-N 3.22Å; D170-K173 IonicContact OD1-NZ 2.94Å; D170-K173 PolarHBondContact OD1-NZ 2.75Å; D170-L174 WeakPolarHBondContact O-CB 3.16Å; D170-L174 PolarHBondContact O-N 3.43Å
171	R	41.1	Very low	38.5	Very low	152 Å²	152	109.7 Å²	109.7	57%	0.574	52%	0.516	S	S	*	.	H	α-helix	trans	-67	-39.7	164.9	-93.2	-178.5	163.3	-179.3	-4.7	113	K167 E168 D169 L174 L175	K167-R171 VanDerWaalsContact O-CB 3.26Å; K167-R171 WeakPolarHBondContact O-CB 3.29Å; K167-R171 WeakPolarHBondContact O-CG 3.19Å; K167-R171 PolarHBondContact O-N 3.36Å; E168-R171 CarbonylContact O-C 3.25Å; E168-R171 VanDerWaalsContact OE1-CD 3.29Å; E168-R171 WeakPolarHBondContact OE1-CD 3.29Å; E168-R171 IonicContact OE1-NH1 2.81Å; D169-R171 VanDerWaalsContact C-N 3.34Å; R171-L174 CarbonylContact O-C 3.59Å; R171-L174 PolarHBondContact O-N 3.27Å; R171-L175 WeakPolarHBondContact O-CA 3.38Å; R171-L175 WeakPolarHBondContact O-CB 3.37Å; R171-L175 VanDerWaalsContact O-CG 3.24Å; R171-L175 WeakPolarHBondContact O-CG 3.41Å; R171-L175 PolarHBondContact O-N 3.04Å
172	R	38.6	Very low	38.6	Very low	156 Å²	156	108.1 Å²	108.1	59%	0.589	52%	0.516	S	S	*	.	H	α-helix	trans	-69.9	-35.3	178.1	-85.5	175.8	163.7	-168.1	-5.6	111.4	E168 D169 F176	E168-R172 WeakPolarHBondContact O-CA 3.31Å; E168-R172 WeakPolarHBondContact O-CB 3.49Å; E168-R172 WeakPolarHBondContact O-CG 3.49Å; E168-R172 PolarHBondContact O-N 3.28Å; D169-R172 CarbonylContact O-C 3.58Å; D169-R172 PolarHBondContact O-N 2.9Å; R172-F176 VanDerWaalsContact O-CB 3.31Å; R172-F176 WeakPolarHBondContact O-CB 3.22Å; R172-F176 PolarHBondContact O-N 2.62Å
173	K	48.7	Very low	38.5	Very low	127 Å²	127	111.3 Å²	111.3	55%	0.552	54%	0.539	S	S	*	.	H	α-helix	trans	-68.3	-43	169.9	-68.3	163.9	-154.1	157.4	0	111.2	D169 D170 L175 F176 R177	D169-K173 VanDerWaalsContact O-CB 3.3Å; D169-K173 WeakPolarHBondContact O-CB 3.42Å; D169-K173 WeakPolarHBondContact O-CD 3.43Å; D169-K173 WeakPolarHBondContact O-CG 3.4Å; D169-K173 PolarHBondContact O-N 2.99Å; D170-K173 IonicContact OD1-NZ 2.94Å; D170-K173 PolarHBondContact OD1-NZ 2.75Å; K173-L175 VanDerWaalsContact C-N 3.33Å; K173-F176 PolarHBondContact O-N 2.82Å; K173-R177 VanDerWaalsContact O-CB 3.24Å; K173-R177 WeakPolarHBondContact O-CB 3.47Å; K173-R177 PolarHBondContact O-N 3.3Å
174	L	47	Very low	38.5	Very low	97 Å²	97	112 Å²	112	51%	0.508	55%	0.547	S	S	.	.	H	α-helix	trans	-69	-30.7	175.8	-172.9	66	0	0	0	112.3	D170 R171 K178	D170-L174 WeakPolarHBondContact O-CB 3.16Å; D170-L174 PolarHBondContact O-N 3.43Å; R171-L174 CarbonylContact O-C 3.59Å; R171-L174 PolarHBondContact O-N 3.27Å; L174-K178 VanDerWaalsContact O-CB 3.28Å; L174-K178 WeakPolarHBondContact O-CB 3.47Å; L174-K178 VanDerWaalsContact O-CG 3.22Å; L174-K178 WeakPolarHBondContact O-CG 3.33Å; L174-K178 PolarHBondContact O-N 2.75Å; L174-K178 VanDerWaalsContact O-N 3.1Å
175	L	38.4	Very low	38.4	Very low	82 Å²	82	113.7 Å²	113.7	43%	0.429	56%	0.556	S	S	.	*	H	α-helix	trans	-77.4	-40.6	172.2	-79.2	165.3	0	0	0	111.1	R171 K173 R177 K178 L179	R171-L175 WeakPolarHBondContact O-CA 3.38Å; R171-L175 WeakPolarHBondContact O-CB 3.37Å; R171-L175 VanDerWaalsContact O-CG 3.24Å; R171-L175 WeakPolarHBondContact O-CG 3.41Å; R171-L175 PolarHBondContact O-N 3.04Å; K173-L175 VanDerWaalsContact C-N 3.33Å; L175-R177 VanDerWaalsContact C-N 3.29Å; L175-R177 PolarHBondContact O-N 2.77Å; L175-K178 CarbonylContact O-C 3.57Å; L175-K178 PolarHBondContact O-N 2.83Å; L175-L179 HydrophobicContact CB-CD1 4.21Å; L175-L179 HydrophobicContact CD2-CD1 4.46Å; L175-L179 VanDerWaalsContact O-CB 3.23Å; L175-L179 WeakPolarHBondContact O-CB 3.28Å; L175-L179 WeakPolarHBondContact O-CG 3.39Å; L175-L179 PolarHBondContact O-N 2.87Å
176	F	35.6	Very low	38.1	Very low	136 Å²	136	115.7 Å²	115.7	60%	0.596	58%	0.575	S	S	*	*	H	α-helix	trans	-56.6	-47.3	169.1	-117	-99.4	0	0	0	109.7	R172 K173 K178 L179 H180	R172-F176 VanDerWaalsContact O-CB 3.31Å; R172-F176 WeakPolarHBondContact O-CB 3.22Å; R172-F176 PolarHBondContact O-N 2.62Å; K173-F176 PolarHBondContact O-N 2.82Å; F176-K178 PolarHBondContact O-N 3.2Å; F176-L179 PolarHBondContact O-N 3.25Å; F176-H180 HydrophobicContact CD1-CB 4.42Å; F176-H180 AromaticContact CD1-CD2 3.46Å; F176-H180 VanDerWaalsContact CD1-CD2 3.46Å; F176-H180 WeakPolarHBondContact CD1-CD2 3.23Å; F176-H180 AromaticContact CE1-CD2 3.47Å; F176-H180 VanDerWaalsContact CE1-CD2 3.47Å; F176-H180 WeakPolarHBondContact CE1-CD2 3.3Å; F176-H180 AromaticContact CE1-NE2 3.96Å; F176-H180 AromaticContact CG-CD2 3.9Å; F176-H180 AromaticContact CZ-CD2 3.92Å; F176-H180 CarbonylContact O-C 3.5Å; F176-H180 VanDerWaalsContact O-C 3.25Å; F176-H180 WeakPolarHBondContact O-CA 3.49Å; F176-H180 VanDerWaalsContact O-CB 3.29Å; F176-H180 WeakPolarHBondContact O-CB 3.49Å; F176-H180 PolarHBondContact O-N 3.27Å; F176-H180 VanDerWaalsContact O-O 3.13Å
177	R	47	Very low	37.6	Very low	171 Å²	171	118.3 Å²	118.3	65%	0.645	59%	0.589	S	S	*	*	H	α-helix	trans	-71.4	-5.8	176.9	-158.8	171.1	-174	178	1.2	114.6	K173 L175 T182	K173-R177 VanDerWaalsContact O-CB 3.24Å; K173-R177 WeakPolarHBondContact O-CB 3.47Å; K173-R177 PolarHBondContact O-N 3.3Å; L175-R177 VanDerWaalsContact C-N 3.29Å; L175-R177 PolarHBondContact O-N 2.77Å; R177-T182 HydrophobicContact CG-CG2 4.31Å
178	K	45.7	Very low	36.9	Very low	154 Å²	154	114.9 Å²	114.9	67%	0.67	59%	0.585	S	S	*	*	H	α-helix	trans	-110	-23	173.7	-81.6	-179.2	173.6	-172.3	0	114.4	L174 L175 F176	L174-K178 VanDerWaalsContact O-CB 3.28Å; L174-K178 WeakPolarHBondContact O-CB 3.47Å; L174-K178 VanDerWaalsContact O-CG 3.22Å; L174-K178 WeakPolarHBondContact O-CG 3.33Å; L174-K178 PolarHBondContact O-N 2.75Å; L174-K178 VanDerWaalsContact O-N 3.1Å; L175-K178 CarbonylContact O-C 3.57Å; L175-K178 PolarHBondContact O-N 2.83Å; F176-K178 PolarHBondContact O-N 3.2Å
179	L	34.2	Very low	36.5	Very low	131 Å²	131	119.7 Å²	119.7	69%	0.686	61%	0.608	S	S	*	*	H	α-helix	trans	-98.4	-41.6	179.1	-64.7	169.2	0	0	0	110.4	L175 F176	L175-L179 HydrophobicContact CB-CD1 4.21Å; L175-L179 HydrophobicContact CD2-CD1 4.46Å; L175-L179 VanDerWaalsContact O-CB 3.23Å; L175-L179 WeakPolarHBondContact O-CB 3.28Å; L175-L179 WeakPolarHBondContact O-CG 3.39Å; L175-L179 PolarHBondContact O-N 2.87Å; F176-L179 PolarHBondContact O-N 3.25Å
180	H	35	Very low	35.7	Very low	119 Å²	119	117.9 Å²	117.9	55%	0.551	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.7	65.2	165.1	-50.6	-73.6	0	0	0	107.7	F176 T182	F176-H180 HydrophobicContact CD1-CB 4.42Å; F176-H180 AromaticContact CD1-CD2 3.46Å; F176-H180 VanDerWaalsContact CD1-CD2 3.46Å; F176-H180 WeakPolarHBondContact CD1-CD2 3.23Å; F176-H180 AromaticContact CE1-CD2 3.47Å; F176-H180 VanDerWaalsContact CE1-CD2 3.47Å; F176-H180 WeakPolarHBondContact CE1-CD2 3.3Å; F176-H180 AromaticContact CE1-NE2 3.96Å; F176-H180 AromaticContact CG-CD2 3.9Å; F176-H180 AromaticContact CZ-CD2 3.92Å; F176-H180 CarbonylContact O-C 3.5Å; F176-H180 VanDerWaalsContact O-C 3.25Å; F176-H180 WeakPolarHBondContact O-CA 3.49Å; F176-H180 VanDerWaalsContact O-CB 3.29Å; F176-H180 WeakPolarHBondContact O-CB 3.49Å; F176-H180 PolarHBondContact O-N 3.27Å; F176-H180 VanDerWaalsContact O-O 3.13Å; H180-T182 PolarHBondContact O-N 3.37Å
181	G	32.8	Very low	34.8	Very low	49 Å²	49	119.7 Å²	119.7	51%	0.505	63%	0.626	S	S	.	*	T	Hydrogen-bonded Turn	trans	-52	127.1	178.1	0	0	0	0	0	110.7	D183	G181-D183 VanDerWaalsContact C-N 3.33Å; G181-D183 PolarHBondContact O-N 3.41Å
182	T	31.1	Very low	34.3	Very low	82 Å²	82	116.4 Å²	116.4	50%	0.503	63%	0.627	S	S	.	*			trans	-79.1	80.9	-174.1	51.8	0	0	0	0	111.3	R177 H180 S184	R177-T182 HydrophobicContact CG-CG2 4.31Å; H180-T182 PolarHBondContact O-N 3.37Å; T182-S184 WeakPolarHBondContact O-CB 3.45Å; T182-S184 PolarHBondContact O-OG 3.35Å
183	D	30.6	Very low	33.8	Very low	157 Å²	157	118 Å²	118	84%	0.84	64%	0.638	S	S	*	*			trans	-78.9	110.3	153.6	-69.3	-22.6	0	0	0	106.3	G181	G181-D183 VanDerWaalsContact C-N 3.33Å; G181-D183 PolarHBondContact O-N 3.41Å
184	S	32.3	Very low	32.8	Very low	85 Å²	85	120 Å²	120	59%	0.594	65%	0.649	S	S	*	*			cis	56.7	126.1	38.7	-47.6	0	0	0	0	111.2	T182	T182-S184 WeakPolarHBondContact O-CB 3.45Å; T182-S184 PolarHBondContact O-OG 3.35Å
185	T	31.4	Very low	31.8	Very low	73 Å²	73	119 Å²	119	45%	0.448	65%	0.65	S	S	.	*			cis	-169.7	127.1	9.3	8.1	0	0	0	0	108.9
186	V	27.3	Very low	31.2	Very low	144 Å²	144	122.8 Å²	122.8	87%	0.873	67%	0.67	S	S	*	*	S	Bend	trans	-158.2	124	148.6	-175.6	0	0	0	0	107
187	L	25.3	Very low	30.7	Very low	166 Å²	166	126.2 Å²	126.2	87%	0.869	68%	0.679	S	S	*	*	S	Bend	cis	-77.5	151.5	-10.2	-47.8	93.2	0	0	0	109.3
188	S	25.2	Very low	29.7	Very low	86 Å²	86	125 Å²	125	60%	0.601	68%	0.684	S	S	*	*	S	Bend	cis	-132.2	151.9	7.4	-176.3	0	0	0	0	110.3
189	Q	28.3	Very low	28.7	Very low	183 Å²	183	121.3 Å²	121.3	86%	0.855	68%	0.677	S	S	*	*			trans	52.2	83.7	173.3	-65.4	-178.9	3.6	0	0	116.2
190	G	25.2	Very low	28.3	Very low	38 Å²	38	126 Å²	126	39%	0.392	69%	0.686	S	S	.	*			trans	-100.1	178	158.6	0	0	0	0	0	112.5
191	S	29.9	Very low	27.9	Very low	125 Å²	125	125.2 Å²	125.2	87%	0.874	69%	0.69	S	S	*	*			trans	69.6	141.3	-173.1	84.9	0	0	0	0	113.7
192	S	30.2	Very low	27.6	Very low	83 Å²	83	132.5 Å²	132.5	58%	0.58	71%	0.707	S	S	*	*			cis	-163.1	166	19.5	55.2	0	0	0	0	112
193	F	27.6	Very low	27.3	Very low	190 Å²	190	135.3 Å²	135.3	83%	0.833	72%	0.719	S	S	*	*			trans	61.6	164.1	159.2	-64.8	-57	0	0	0	118.4
194	H	28.6	Very low	27.3	Very low	168 Å²	168	133.7 Å²	133.7	78%	0.778	72%	0.715	S	S	*	*			cis	-160.8	159.1	-39.9	-161.1	46.5	0	0	0	109.6
195	S	25.4	Very low	27.1	Very low	76 Å²	76	136.6 Å²	136.6	53%	0.531	72%	0.722	S	S	.	*			trans	23.8	117.3	156.9	170.8	0	0	0	0	121.2
196	L	27.3	Very low	26.9	Very low	163 Å²	163	137.3 Å²	137.3	85%	0.853	73%	0.73	S	S	*	*			trans	-175.1	97.8	134.6	-100.7	162.8	0	0	0	107.1
197	R	24.5	Very low	26.8	Very low	208 Å²	208	138 Å²	138	79%	0.785	73%	0.729	S	S	*	*			cis	75.1	134.5	44.3	-150.9	-164.2	-172.4	176.2	4.4	112.7
198	I	25.4	Very low	27.1	Very low	145 Å²	145	135.8 Å²	135.8	74%	0.744	73%	0.727	S	S	*	*			trans	79.1	138.9	170.4	-51.7	-178.4	0	0	0	115
199	S	25.8	Very low	27.1	Very low	76 Å²	76	140.2 Å²	140.2	53%	0.531	74%	0.738	S	S	.	*			cis	-176.8	169.5	-31.8	68.6	0	0	0	0	109.5
200	R	26	Very low	27.2	Very low	230 Å²	230	139.3 Å²	139.3	87%	0.868	74%	0.739	S	S	*	*			trans	67.4	161.4	151	-71.3	170.6	-176.7	173.9	-0	116.6
201	V	26	Very low	27.1	Very low	103 Å²	103	142.5 Å²	142.5	62%	0.624	76%	0.755	S	S	*	*			cis	-160	147.3	-26.7	127.3	0	0	0	0	106.2
202	K	26.9	Very low	27.1	Very low	202 Å²	202	142 Å²	142	88%	0.878	75%	0.751	S	S	*	*			trans	-170.9	67.4	138.2	-106.6	168.9	-174.3	-177.7	0	112.1
203	D	25	Very low	26.9	Very low	141 Å²	141	147.2 Å²	147.2	75%	0.754	76%	0.758	S	S	*	*			trans	-64.8	138.8	146.8	-55	-75.2	0	0	0	109.2
204	V	29.7	Very low	27.1	Very low	122 Å²	122	146.1 Å²	146.1	74%	0.739	75%	0.749	S	S	*	*			trans	-178.1	100.7	157.5	139.4	0	0	0	0	104
205	I	28.5	Very low	27.2	Very low	146 Å²	146	143.8 Å²	143.8	75%	0.749	75%	0.749	S	S	*	*				62.4	85.6	98.8	-65.4	167.2	0	0	0	109.2
206	S	27.1	Very low	27.3	Very low	89 Å²	89	144.4 Å²	144.4	62%	0.622	75%	0.753	S	S	*	*				84.6	139.3	67.1	73.6	0	0	0	0	114.5
207	N	25.3	Very low	27.4	Very low	159 Å²	159	141 Å²	141	85%	0.85	75%	0.748	S	S	*	*			trans	55.6	98.4	156.2	-58.7	-6.5	0	0	0	118.8
208	S	30.4	Very low	27.4	Very low	118 Å²	118	138.5 Å²	138.5	83%	0.825	75%	0.75	S	S	*	*				-156.2	154.8	122.2	68.8	0	0	0	0	111.1
209	H	27.1	Very low	27.7	Very low	179 Å²	179	137 Å²	137	83%	0.829	75%	0.75	S	S	*	*			trans	-68	146.2	158.4	-73.5	-129.6	0	0	0	108.4
210	D	29.2	Very low	27.6	Very low	165 Å²	165	140.8 Å²	140.8	88%	0.882	76%	0.763	S	S	*	*				-165.8	158.8	118.8	-116.7	-32.7	0	0	0	112.1
211	S	23.6	Very low	27.6	Very low	104 Å²	104	134.6 Å²	134.6	73%	0.727	76%	0.755	S	S	*	*			trans	-125.7	115	-176.9	51.5	0	0	0	0	113.1
212	C	28.8	Very low	27.7	Very low	116 Å²	116	136.2 Å²	136.2	78%	0.784	76%	0.76	S	S	*	*			trans	-121.8	130	169.9	-81.5	0	0	0	0	108.5
213	R	27.7	Very low	27.7	Very low	191 Å²	191	134 Å²	134	72%	0.721	75%	0.753	S	S	*	*				64.6	132.1	61.6	-64.7	177.8	175.9	-148.7	-0.9	110.5
214	Y	30.1	Very low	27.9	Very low	167 Å²	167	133.3 Å²	133.3	66%	0.655	75%	0.749	S	S	*	*			cis	-161.1	-165.8	4.4	-115.7	-33.8	0	0	0	106.9
215	P	30.9	Very low	27.9	Very low	120 Å²	120	135 Å²	135	78%	0.779	75%	0.748	S	S	*	*			cis	-128.1	149.6	7.4	30	-7.3	0	0	0	116.9
216	S	27.2	Very low	28	Very low	88 Å²	88	134.2 Å²	134.2	62%	0.615	75%	0.745	S	S	*	*			trans	-66.2	170.3	151.4	50.9	0	0	0	0	110.4
217	A	30.7	Very low	28	Very low	91 Å²	91	135.1 Å²	135.1	75%	0.752	75%	0.752	S	S	*	*			cis	-167	171.7	34.9	0	0	0	0	0	114
218	L	24.2	Very low	28.6	Very low	157 Å²	157	132.3 Å²	132.3	82%	0.822	74%	0.742	S	S	*	*			trans	-71.6	160	149	-78.4	166.9	0	0	0	109
219	P	30.8	Very low	28.6	Very low	114 Å²	114	133.5 Å²	133.5	74%	0.74	74%	0.739	S	S	*	*				-153.5	172.6	50.1	43.4	-22.1	0	0	0	119.7
220	L	25.2	Very low	28.9	Very low	154 Å²	154	130.1 Å²	130.1	81%	0.806	73%	0.731	S	S	*	*			trans	21.3	119.1	144	-65.1	167	0	0	0	121.4
221	S	24.3	Very low	29	Very low	100 Å²	100	129.3 Å²	129.3	70%	0.699	72%	0.722	S	S	*	*				89.9	156.2	122.2	79	0	0	0	0	121.7
222	L	28.7	Very low	29.3	Very low	138 Å²	138	133.7 Å²	133.7	72%	0.723	72%	0.723	S	S	*	*			trans	72.3	95.6	161.7	-66.8	166.1	0	0	0	120
223	Q	28.2	Very low	29.3	Very low	156 Å²	156	135 Å²	135	73%	0.729	72%	0.721	S	S	*	*				71.2	122.4	120.4	-78	-179.8	-16.1	0	0	122.2
224	N	28.1	Very low	29.4	Very low	126 Å²	126	130.4 Å²	130.4	67%	0.674	72%	0.718	S	S	*	*				86.5	113.8	127.8	-65.3	1	0	0	0	121.8
225	H	29.7	Very low	29.4	Very low	157 Å²	157	128.2 Å²	128.2	73%	0.727	72%	0.724	S	S	*	*				93.4	139.8	129.8	-90.4	-91.9	0	0	0	122.9
226	D	31.2	Very low	29.3	Very low	129 Å²	129	133.5 Å²	133.5	69%	0.69	73%	0.728	S	S	*	*			trans	67.8	97.8	152.6	-53.2	-24.6	0	0	0	122.7
227	S	27.3	Very low	29.4	Very low	109 Å²	109	137.5 Å²	137.5	76%	0.762	74%	0.737	S	S	*	*				35.8	159.3	100.2	-70.8	0	0	0	0	121.6
228	P	36.6	Very low	29.1	Very low	99 Å²	99	143.7 Å²	143.7	64%	0.643	74%	0.741	S	S	*	*			cis	-141.1	-167.8	-17.7	34.9	-13.1	0	0	0	114.8
229	N	31.8	Very low	29.3	Very low	143 Å²	143	144 Å²	144	77%	0.765	74%	0.744	S	S	*	*			trans	73.2	153.8	154.8	-67.9	-22.7	0	0	0	118.3
230	T	32.1	Very low	29	Very low	108 Å²	108	143.4 Å²	143.4	66%	0.663	74%	0.738	S	S	*	*			cis	-155.1	164.2	4	-8.2	0	0	0	0	113.3
231	Q	31.7	Very low	29.2	Very low	149 Å²	149	146 Å²	146	70%	0.696	74%	0.744	S	S	*	*			trans	72.6	148.9	153.5	-78.1	177.9	60.7	0	0	118.3
232	R	29.4	Very low	29.1	Very low	195 Å²	195	148.4 Å²	148.4	74%	0.736	75%	0.749	S	S	*	*			cis	-155.9	149.3	17.8	-130.8	168.7	-163.9	-137.3	3.6	112.9
233	I	30.5	Very low	29.2	Very low	145 Å²	145	147.2 Å²	147.2	74%	0.744	75%	0.752	S	S	*	*			trans	68	137	152	-67.7	154.6	0	0	0	119.4
234	S	28	Very low	29	Very low	93 Å²	93	148.3 Å²	148.3	65%	0.65	76%	0.757	S	S	*	*			cis	-172.3	142	-39.4	54.9	0	0	0	0	110.9
235	P	31.4	Very low	28.8	Very low	121 Å²	121	147.1 Å²	147.1	79%	0.786	76%	0.758	S	S	*	*			trans	-111.3	169.8	175.3	40.5	-33.2	0	0	0	114.9
236	W	28.3	Very low	28.7	Very low	231 Å²	231	147.6 Å²	147.6	88%	0.875	77%	0.765	S	S	*	*			trans	-144.1	169.7	166.6	-76	91.6	0	0	0	110.8
237	Q	29.2	Very low	28.3	Very low	172 Å²	172	152.8 Å²	152.8	80%	0.804	77%	0.774	S	S	*	*				-146.6	172.3	-76.8	-154.9	169.9	-11.1	0	0	108.4
238	R	23.8	Very low	28.2	Very low	221 Å²	221	152.8 Å²	152.8	83%	0.834	78%	0.775	S	S	*	*			trans	-99.1	146.5	-174.7	-169	-169.7	-56	161.8	3.3	110.9
239	N	29.2	Very low	27.6	Very low	163 Å²	163	155 Å²	155	87%	0.872	78%	0.78	S	S	*	*			trans	-145.9	152.5	158.6	-124.9	-8.8	0	0	0	112
240	T	25	Very low	27.3	Very low	102 Å²	102	153.9 Å²	153.9	63%	0.626	78%	0.783	S	S	*	*			trans	-134.5	151.3	-172.3	49.4	0	0	0	0	110.3
241	F	28.3	Very low	27	Very low	210 Å²	210	152.4 Å²	152.4	92%	0.921	79%	0.789	S	S	*	*			trans	-162.4	162.2	146.4	-109.1	-69.5	0	0	0	112.2
242	N	23.8	Very low	26.6	Very low	150 Å²	150	151.4 Å²	151.4	80%	0.802	79%	0.793	S	S	*	*			trans	-107.4	149.3	-169.6	-66.1	-16.2	0	0	0	113.6
243	S	28.8	Very low	26.6	Very low	113 Å²	113	148.8 Å²	148.8	79%	0.79	80%	0.799	S	S	*	*			trans	-178.1	103.5	137.6	56.1	0	0	0	0	108.1
244	E	25.4	Very low	26.2	Very low	179 Å²	179	149.8 Å²	149.8	84%	0.836	80%	0.8	S	S	*	*				73.6	119.4	78.4	-81	-153.1	170.1	0	0	117.2
245	S	24	Very low	26.2	Very low	100 Å²	100	151.2 Å²	151.2	70%	0.699	81%	0.81	S	S	*	*			trans	96.3	153.6	131.3	-69.4	0	0	0	0	123
246	I	26.9	Very low	25.8	Very low	168 Å²	168	150.4 Å²	150.4	86%	0.862	81%	0.808	S	S	*	*			trans	91.6	132.4	170.7	-52.5	-173.9	0	0	0	117.3
247	R	23.4	Very low	25.7	Very low	237 Å²	237	146.8 Å²	146.8	89%	0.894	81%	0.805	S	S	*	*			trans	-121.7	147.4	-177.2	-46.1	164.7	178	165.4	-3.6	109.9
248	S	25	Very low	25.7	Very low	110 Å²	110	146.3 Å²	146.3	77%	0.769	80%	0.802	S	S	*	*			trans	176	159.8	147.5	47	0	0	0	0	109.2
249	I	24.5	Very low	25.7	Very low	146 Å²	146	143.4 Å²	143.4	75%	0.749	80%	0.803	S	S	*	*			cis	179.3	132.5	-37.6	-103.9	158.2	0	0	0	104
250	S	23.7	Very low	25.6	Very low	118 Å²	118	143.4 Å²	143.4	83%	0.825	80%	0.802	S	S	*	*			trans	54.8	144.5	164.4	66.7	0	0	0	0	121.2
251	G	26.8	Very low	25.6	Very low	77 Å²	77	143.4 Å²	143.4	79%	0.794	80%	0.804	S	S	*	*			trans	174.9	56.1	174.7	0	0	0	0	0	114
252	T	23.4	Very low	25.5	Very low	129 Å²	129	137.7 Å²	137.7	79%	0.791	79%	0.79	S	S	*	*			trans	-88.8	131.3	-173.8	-37.7	0	0	0	0	112.6
253	T	28.5	Very low	25.6	Very low	140 Å²	140	135.3 Å²	135.3	86%	0.859	79%	0.785	S	S	*	*			trans	-155.2	151.3	152.3	19.1	0	0	0	0	112.1
254	H	23.9	Very low	25.5	Very low	166 Å²	166	134.2 Å²	134.2	77%	0.769	78%	0.783	S	S	*	*			trans	-80.9	154.6	175.4	-83.1	-133	0	0	0	112.5
255	S	28.1	Very low	25.7	Very low	123 Å²	123	131.4 Å²	131.4	86%	0.86	77%	0.773	S	S	*	*				-161.7	119.8	129	9.5	0	0	0	0	110.6
256	S	22.8	Very low	25.8	Very low	104 Å²	104	134.3 Å²	134.3	73%	0.727	78%	0.781	S	S	*	*			trans	-94.8	131.8	173.9	-50.2	0	0	0	0	109.5
257	L	26.4	Very low	25.9	Very low	155 Å²	155	134.1 Å²	134.1	81%	0.812	78%	0.781	S	S	*	*			trans	-141.2	116.5	161.7	-72.8	179.7	0	0	0	111.9
258	H	27.8	Very low	26.1	Very low	162 Å²	162	125.9 Å²	125.9	75%	0.75	76%	0.757	S	S	*	*			trans	53.1	101.5	149.7	-64.2	-83.7	0	0	0	121.5
259	N	24.7	Very low	26.4	Very low	160 Å²	160	125.5 Å²	125.5	86%	0.856	75%	0.747	S	S	*	*				-7.7	130.9	121.8	-55.4	-10	0	0	0	115.9
260	L	25.7	Very low	26.6	Very low	162 Å²	162	123.2 Å²	123.2	85%	0.848	74%	0.743	S	S	*	*			trans	-132.8	138.9	154.1	-94.6	162	0	0	0	108.3
261	P	25.7	Very low	26.8	Very low	102 Å²	102	121 Å²	121	66%	0.662	73%	0.728	S	S	*	*			trans	-74.8	145	-170.8	-16.8	31.8	0	0	0	113.8	S263	P261-S263 PolarHBondContact O-N 3.48Å
262	S	26.8	Very low	27.2	Very low	91 Å²	91	121.7 Å²	121.7	64%	0.636	71%	0.712	S	S	*	*	S	Bend	trans	-81.5	64.4	169.4	-59.1	0	0	0	0	111.4
263	S	25.9	Very low	27.7	Very low	100 Å²	100	117.9 Å²	117.9	70%	0.699	68%	0.684	S	S	*	*			trans	-135	50.2	-173.9	66.7	0	0	0	0	113.1	P261	P261-S263 PolarHBondContact O-N 3.48Å
264	A	27.2	Very low	27.6	Very low	89 Å²	89	116.2 Å²	116.2	74%	0.736	67%	0.67	S	S	*	*			trans	-145.8	19.9	-176.2	0	0	0	0	0	115.5
265	L	28.3	Very low	27.9	Very low	121 Å²	121	115.4 Å²	115.4	63%	0.634	67%	0.666	S	S	*	*			trans	-112.7	-8.9	-176.8	-80.3	169.1	0	0	0	115.9	N267 V268	L265-N267 PolarHBondContact O-N 2.9Å; L265-V268 HydrophobicContact CD2-CG2 4.24Å; L265-V268 PolarHBondContact O-N 3.32Å
266	N	27	Very low	27.8	Very low	161 Å²	161	113 Å²	113	86%	0.861	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	-1.5	-177.1	-65.8	11.4	0	0	0	114.7
267	N	27.7	Very low	28.1	Very low	164 Å²	164	112.4 Å²	112.4	88%	0.877	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.9	5.2	-179.9	-91.8	-20.1	0	0	0	114.8	L265	L265-N267 PolarHBondContact O-N 2.9Å
268	V	29.2	Very low	28	Very low	63 Å²	63	112.1 Å²	112.1	38%	0.382	65%	0.649	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.5	-24.7	-175.7	-175.7	0	0	0	0	113.1	L265 S270 S271	L265-V268 HydrophobicContact CD2-CG2 4.24Å; L265-V268 PolarHBondContact O-N 3.32Å; V268-S270 PolarHBondContact O-N 2.9Å; V268-S271 PolarHBondContact O-N 3.09Å; V268-S271 VanDerWaalsContact O-N 3.15Å; V268-S271 PolarHBondContact O-OG 3.14Å
269	N	30.6	Very low	28	Very low	103 Å²	103	109.9 Å²	109.9	55%	0.551	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	-12.8	-166	-67.8	-13.9	0	0	0	115.6
270	S	28.2	Very low	28	Very low	97 Å²	97	109.6 Å²	109.6	68%	0.678	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	-10.2	176.9	-52.9	0	0	0	0	114.7	V268 N274	V268-S270 PolarHBondContact O-N 2.9Å; S270-N274 PolarHBondContact O-ND2 2.86Å
271	S	28.8	Very low	28.1	Very low	71 Å²	71	107.3 Å²	107.3	50%	0.497	65%	0.645	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.6	-47.2	-172.8	63.5	0	0	0	0	114.1	V268 F273 N274	V268-S271 PolarHBondContact O-N 3.09Å; V268-S271 VanDerWaalsContact O-N 3.15Å; V268-S271 PolarHBondContact O-OG 3.14Å; S271-F273 PolarHBondContact O-N 3.02Å; S271-F273 VanDerWaalsContact O-N 3.13Å; S271-N274 PolarHBondContact O-N 3.34Å; S271-N274 VanDerWaalsContact O-N 3.14Å
272	M	34.5	Very low	28.1	Very low	93 Å²	93	105.7 Å²	105.7	46%	0.458	65%	0.647	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63	-22.2	-179.1	-71.3	-161.3	72.8	0	0	113.8	F542	M272-F542 HydrophobicContact SD-CD1 4.32Å
273	F	34	Very low	28	Very low	49 Å²	49	112.6 Å²	112.6	22%	0.215	66%	0.661	C	S	.	*	T	Hydrogen-bonded Turn	trans	-92	-3.2	-179.6	-86.9	-63.6	0	0	0	114.6	S271 Q470 L545	S271-F273 PolarHBondContact O-N 3.02Å; S271-F273 VanDerWaalsContact O-N 3.13Å; F273-Q470 HydrophobicContact CD1-CG 4.12Å; F273-Q470 PolarHBondContact O-NE2 3.04Å; F273-L545 HydrophobicContact CZ-CB 4.38Å
274	N	27.3	Very low	27.9	Very low	105 Å²	105	112.9 Å²	112.9	56%	0.561	66%	0.663	S	S	*	*			trans	-115	50.9	-178.2	-85	-52.9	0	0	0	112.9	S270 S271	S270-N274 PolarHBondContact O-ND2 2.86Å; S271-N274 PolarHBondContact O-N 3.34Å; S271-N274 VanDerWaalsContact O-N 3.14Å
275	Q	28.7	Very low	27.8	Very low	149 Å²	149	114.5 Å²	114.5	70%	0.696	66%	0.664	S	S	*	*			trans	-139.2	91.6	171.5	-99.3	168.3	24.2	0	0	111.9
276	S	26.2	Very low	27.6	Very low	71 Å²	71	116.7 Å²	116.7	50%	0.497	67%	0.674	S	S	.	*			trans	-137.1	62	163.7	63.6	0	0	0	0	109.8
277	A	28.7	Very low	27.6	Very low	92 Å²	92	113.9 Å²	113.9	76%	0.76	67%	0.673	S	S	*	*			trans	-132.1	136.3	170.7	0	0	0	0	0	108.4
278	L	26.1	Very low	27.5	Very low	149 Å²	149	111.2 Å²	111.2	78%	0.78	67%	0.668	S	S	*	*			trans	-66.7	153.3	176.3	-69	157.2	0	0	0	110.5
279	P	27	Very low	27.5	Very low	115 Å²	115	115.7 Å²	115.7	75%	0.747	69%	0.688	S	S	*	*				-122.8	124.8	129.6	33.3	-28	0	0	0	111.2	S281	P279-S281 PolarHBondContact O-N 3.14Å
280	N	24.9	Very low	27.4	Very low	154 Å²	154	119.6 Å²	119.6	82%	0.824	70%	0.703	S	S	*	*			trans	-66	127.6	157.4	-73.5	-16.6	0	0	0	108.3
281	S	28.1	Very low	27.4	Very low	114 Å²	114	118.3 Å²	118.3	80%	0.797	71%	0.705	S	S	*	*			trans	-144.7	105.4	156.9	57.8	0	0	0	0	111.6	P279	P279-S281 PolarHBondContact O-N 3.14Å
282	G	24.7	Very low	27.5	Very low	68 Å²	68	124.9 Å²	124.9	70%	0.701	72%	0.724	S	S	*	*			trans	-78.4	141.4	154.9	0	0	0	0	0	109.6
283	Y	24.1	Very low	27.1	Very low	236 Å²	236	125.7 Å²	125.7	93%	0.925	74%	0.739	S	S	*	*			trans	-2.3	121.6	161.1	-56.6	-93.2	0	0	0	118.3
284	S	24.8	Very low	26.9	Very low	107 Å²	107	129.1 Å²	129.1	75%	0.748	77%	0.768	S	S	*	*				169.2	125.9	100.6	-167.1	0	0	0	0	114.8
285	T	24.8	Very low	26.8	Very low	123 Å²	123	129.6 Å²	129.6	76%	0.755	78%	0.78	S	S	*	*			trans	42.8	96.1	135.8	-34.9	0	0	0	0	121.5
286	I	23.4	Very low	27.2	Very low	166 Å²	166	128.4 Å²	128.4	85%	0.851	78%	0.784	S	S	*	*			trans	2.6	121.2	136.6	-53.5	170.9	0	0	0	117.9
287	A	28.1	Very low	27.3	Very low	102 Å²	102	133.5 Å²	133.5	84%	0.843	80%	0.8	S	S	*	*			trans	-153.7	150	135.6	0	0	0	0	0	109.6
288	S	24.9	Very low	27.8	Very low	109 Å²	109	133.4 Å²	133.4	76%	0.762	79%	0.792	S	S	*	*			trans	-146.3	150.2	-176.6	177.2	0	0	0	0	110.9
289	I	30.3	Very low	28.3	Very low	157 Å²	157	134.7 Å²	134.7	81%	0.805	79%	0.794	S	S	*	*			trans	-179	160.2	141.1	-94.5	153.2	0	0	0	111
290	H	28.9	Very low	28.5	Very low	185 Å²	185	135.7 Å²	135.7	86%	0.856	79%	0.791	S	S	*	*			trans	-55.4	165.3	-176.9	-49.9	-47.5	0	0	0	116.4
291	G	28.2	Very low	29	Very low	70 Å²	70	135.1 Å²	135.1	72%	0.722	79%	0.788	S	S	*	*			cis	145.2	173.8	-6.3	0	0	0	0	0	114.9
292	K	29.5	Very low	29.2	Very low	209 Å²	209	134.9 Å²	134.9	91%	0.909	78%	0.782	S	S	*	*			trans	74.1	108.5	170.5	-63.5	-175.6	176.5	-179.1	0	120.9
293	S	27.5	Very low	29.6	Very low	109 Å²	109	137.2 Å²	137.2	76%	0.762	78%	0.783	S	S	*	*				55.5	118.4	120.6	-167.6	0	0	0	0	122.4
294	C	28.8	Very low	30.1	Very low	121 Å²	121	132.5 Å²	132.5	82%	0.818	77%	0.774	S	S	*	*				178	155.6	107.7	-93	0	0	0	0	113.4
295	S	26.3	Very low	30.5	Very low	116 Å²	116	135.2 Å²	135.2	81%	0.811	78%	0.777	S	S	*	*			trans	-113.6	-173.1	174.3	-43.1	0	0	0	0	109.7
296	P	35.9	Very low	30.8	Very low	123 Å²	123	135.2 Å²	135.2	80%	0.799	77%	0.771	S	S	*	*			cis	-139.2	-174	-0.3	42.4	-22.1	0	0	0	117.1
297	E	29.3	Very low	31.2	Very low	178 Å²	178	136.1 Å²	136.1	83%	0.832	77%	0.768	S	S	*	*			trans	-17.3	178.7	153.2	-98.2	178.8	-142	0	0	122.7
298	P	38.9	Very low	31.3	Very low	90 Å²	90	135.3 Å²	135.3	58%	0.584	76%	0.757	S	S	*	*			cis	-138.5	-173.9	-13.4	35	-14.8	0	0	0	115
299	H	35.3	Very low	31.7	Very low	177 Å²	177	136.3 Å²	136.3	82%	0.819	75%	0.754	S	S	*	*				-174.4	-177.7	127.2	-109.7	-81.9	0	0	0	114.1
300	I	32.8	Very low	31.8	Very low	136 Å²	136	136.6 Å²	136.6	70%	0.697	75%	0.751	S	S	*	*			trans	-139.5	147.2	-148.7	-63.9	157.7	0	0	0	113.2
301	D	34.2	Very low	31.9	Very low	141 Å²	141	133.3 Å²	133.3	75%	0.754	74%	0.744	S	S	*	*			trans	-173.6	120	137.9	-105	-38	0	0	0	111.2
302	T	32.7	Very low	31.7	Very low	109 Å²	109	136.1 Å²	136.1	67%	0.669	75%	0.747	S	S	*	*				72	143.5	92.9	61.6	0	0	0	0	115.7
303	T	33.9	Very low	31.7	Very low	117 Å²	117	132.6 Å²	132.6	72%	0.718	74%	0.744	S	S	*	*			cis	-150.8	-177.4	15.3	-22.6	0	0	0	0	113.2
304	D	34.1	Very low	31.6	Very low	137 Å²	137	138.3 Å²	138.3	73%	0.733	75%	0.748	S	S	*	*			trans	76.3	110.9	160.3	-63.7	-13.5	0	0	0	119.5
305	M	32.7	Very low	31.4	Very low	165 Å²	165	139.8 Å²	139.8	81%	0.813	75%	0.748	S	S	*	*				96.3	133.3	65	-80	-121.8	177.5	0	0	112.2
306	I	30.4	Very low	31.5	Very low	122 Å²	122	140 Å²	140	63%	0.626	75%	0.75	S	S	*	*			cis	-158.6	154.7	-6	-144.7	-177.9	0	0	0	110.8
307	K	33.3	Very low	30.9	Very low	185 Å²	185	138.1 Å²	138.1	80%	0.804	75%	0.753	S	S	*	*			trans	64.2	147.3	168.3	-68.5	167.8	-174.1	171.7	0	119.1
308	S	29.3	Very low	30.7	Very low	86 Å²	86	133.3 Å²	133.3	60%	0.601	75%	0.75	S	S	*	*			cis	-173.7	132.9	-27.1	48.7	0	0	0	0	110.8
309	N	32.5	Very low	29.9	Very low	130 Å²	130	140 Å²	140	70%	0.695	77%	0.766	S	S	*	*			trans	67.3	145.8	155.2	-56.2	0.5	0	0	0	117.2
310	H	32.5	Very low	29.4	Very low	162 Å²	162	135.9 Å²	135.9	75%	0.75	76%	0.762	S	S	*	*			cis	-170.2	148	-9	-98	-19.2	0	0	0	106.3
311	V	30.9	Very low	29.1	Very low	116 Å²	116	135.2 Å²	135.2	70%	0.703	77%	0.77	S	S	*	*			cis	-145.1	150.6	-9.6	148.7	0	0	0	0	106.7
312	T	25	Very low	28.6	Very low	130 Å²	130	136.8 Å²	136.8	80%	0.798	78%	0.777	S	S	*	*			trans	-136.7	135.7	174.2	-60	0	0	0	0	110.8
313	T	29.9	Very low	28.3	Very low	135 Å²	135	137.2 Å²	137.2	83%	0.828	78%	0.784	S	S	*	*			trans	-142	145.3	160.6	36.5	0	0	0	0	111.4
314	R	24.4	Very low	27.9	Very low	228 Å²	228	138 Å²	138	86%	0.86	79%	0.79	S	S	*	*			trans	-105.5	172	175.2	-83.1	174	161.3	165.3	-7.3	110.3
315	N	26.1	Very low	27.6	Very low	153 Å²	153	137.7 Å²	137.7	82%	0.818	79%	0.792	S	S	*	*			trans	5.4	132.9	150.2	-52.6	3.2	0	0	0	116.3
316	S	26.7	Very low	27.3	Very low	120 Å²	120	134.6 Å²	134.6	84%	0.839	79%	0.787	S	S	*	*				-161.3	162.2	71.4	56.6	0	0	0	0	114.5
317	G	24.4	Very low	27.1	Very low	84 Å²	84	135.2 Å²	135.2	87%	0.866	80%	0.801	S	S	*	*			trans	-66.6	174.7	-167.7	0	0	0	0	0	119.2
318	G	23.8	Very low	26.7	Very low	76 Å²	76	131.9 Å²	131.9	78%	0.784	80%	0.796	S	S	*	*			trans	-165.5	131.3	-179.9	0	0	0	0	0	111.3
319	Y	23.6	Very low	26.7	Very low	232 Å²	232	135 Å²	135	91%	0.91	81%	0.806	S	S	*	*			trans	-70.3	140.6	-169.2	-85.4	-106.5	0	0	0	115.3
320	A	24.3	Very low	26.4	Very low	89 Å²	89	134.3 Å²	134.3	74%	0.736	81%	0.812	S	S	*	*			trans	38.6	127.9	134.8	0	0	0	0	0	122
321	S	27.1	Very low	26.4	Very low	123 Å²	123	132.5 Å²	132.5	86%	0.86	82%	0.817	S	S	*	*			trans	-144.2	137	144.9	-75.1	0	0	0	0	110.1
322	L	23	Very low	26.1	Very low	173 Å²	173	132 Å²	132	91%	0.906	82%	0.819	S	S	*	*			trans	-96	135.1	168.1	-76.4	155.7	0	0	0	108.9
323	S	27.4	Very low	26.4	Very low	118 Å²	118	131.1 Å²	131.1	83%	0.825	81%	0.813	S	S	*	*			trans	-146.8	113.1	167.1	-69.9	0	0	0	0	111.1
324	T	25	Very low	26.4	Very low	135 Å²	135	131 Å²	131	83%	0.828	81%	0.807	S	S	*	*			trans	-109.9	117	170.9	49.1	0	0	0	0	110.4
325	T	28.2	Very low	26.5	Very low	129 Å²	129	126.6 Å²	126.6	79%	0.791	80%	0.797	S	S	*	*			trans	-163	133.5	156	36.3	0	0	0	0	106.1
326	S	25	Very low	26.6	Very low	101 Å²	101	129.3 Å²	129.3	71%	0.706	80%	0.801	S	S	*	*			cis	64.2	91.7	43	84.1	0	0	0	0	114
327	C	26.3	Very low	26.6	Very low	134 Å²	134	129.2 Å²	129.2	91%	0.905	79%	0.788	S	S	*	*				-169.7	167.4	125.1	-101.7	0	0	0	0	111.4
328	T	26.5	Very low	26.8	Very low	116 Å²	116	133.2 Å²	133.2	71%	0.712	79%	0.789	S	S	*	*			trans	-73.9	163	171	49.9	0	0	0	0	111.3
329	D	29.1	Very low	26.9	Very low	151 Å²	151	135.5 Å²	135.5	81%	0.807	78%	0.78	S	S	*	*				-171.6	163.6	105.9	-94	1	0	0	0	113.3
330	S	26.2	Very low	27.2	Very low	116 Å²	116	132.8 Å²	132.8	81%	0.811	78%	0.779	S	S	*	*			trans	-91.6	144.6	-167.5	-58.3	0	0	0	0	112.8
331	S	31.4	Very low	27.3	Very low	124 Å²	124	135.1 Å²	135.1	87%	0.867	77%	0.774	S	S	*	*			trans	-152.6	121.8	158.6	-75.7	0	0	0	0	111.1
332	S	25.7	Very low	27.4	Very low	105 Å²	105	136.1 Å²	136.1	73%	0.734	77%	0.769	S	S	*	*			trans	-73.8	159	169.7	47.8	0	0	0	0	110.4
333	T	29.9	Very low	27.8	Very low	112 Å²	112	136.6 Å²	136.6	69%	0.687	77%	0.766	S	S	*	*				-174.4	144	86.4	24.6	0	0	0	0	114.5
334	N	29.5	Very low	27.7	Very low	131 Å²	131	140 Å²	140	70%	0.701	77%	0.769	S	S	*	*			trans	68.6	114.5	138.3	-59.4	-5.3	0	0	0	123
335	H	27.4	Very low	28.1	Very low	137 Å²	137	138.7 Å²	138.7	63%	0.634	77%	0.772	S	S	*	*			trans	51.1	124.9	130.1	-68.7	-71.5	0	0	0	121.2
336	F	28.8	Very low	28.2	Very low	210 Å²	210	138.2 Å²	138.2	92%	0.921	77%	0.774	S	S	*	*				-149.3	144.5	83	-117.8	-87.3	0	0	0	111.9
337	Q	25.5	Very low	28.7	Very low	118 Å²	118	138.7 Å²	138.7	55%	0.551	78%	0.777	S	S	*	*			trans	-100.1	158.6	173.9	-76.1	162	-95.6	0	0	110.5
338	N	30.1	Very low	29	Very low	168 Å²	168	138.1 Å²	138.1	90%	0.898	77%	0.77	S	S	*	*			trans	-152.3	109.7	143.4	-99.8	-28.8	0	0	0	108.8
339	E	25.3	Very low	29.3	Very low	124 Å²	124	140 Å²	140	58%	0.579	78%	0.775	S	S	*	*			trans	-86.8	148.1	167.9	-70.5	172.9	76.7	0	0	110.2	Q341	E339-Q341 PolarHBondContact OE1-NE2 3.28Å
340	I	30	Very low	29.4	Very low	175 Å²	175	137.6 Å²	137.6	90%	0.897	77%	0.771	S	S	*	*			trans	-131.4	121.8	140.8	-63.5	-177.6	0	0	0	107.1
341	Q	27.2	Very low	29.5	Very low	137 Å²	137	137.2 Å²	137.2	64%	0.64	77%	0.767	S	S	*	*			trans	-87.8	174.3	178.4	-60.5	170	-2	0	0	110.7	E339	E339-Q341 PolarHBondContact OE1-NE2 3.28Å
342	I	27.5	Very low	29.2	Very low	145 Å²	145	137.8 Å²	137.8	74%	0.744	77%	0.765	S	S	*	*				170.3	137.7	114.2	-87.7	163.3	0	0	0	113.2
343	H	32.1	Very low	29.3	Very low	182 Å²	182	138.4 Å²	138.4	84%	0.843	77%	0.769	S	S	*	*			trans	68.4	111.7	163.8	-79.5	-50.9	0	0	0	123
344	E	24.9	Very low	29	Very low	190 Å²	190	140.2 Å²	140.2	89%	0.888	77%	0.773	S	S	*	*			trans	-92.3	167.7	153.1	-53.6	172.9	113.3	0	0	111.9
345	A	33.9	Very low	28.8	Very low	107 Å²	107	141 Å²	141	88%	0.884	78%	0.777	S	S	*	*			trans	-151.2	152	151.5	0	0	0	0	0	109.6
346	S	30.8	Very low	28.6	Very low	120 Å²	120	142 Å²	142	84%	0.839	79%	0.785	S	S	*	*			trans	-131.4	154.5	-152.8	56.8	0	0	0	0	117.2
347	S	34.5	Very low	28.4	Very low	111 Å²	111	137.3 Å²	137.3	78%	0.776	78%	0.778	S	S	*	*			trans	-179.6	158.9	154.6	44	0	0	0	0	109.2
348	T	33.2	Very low	28.4	Very low	122 Å²	122	137.1 Å²	137.1	75%	0.748	79%	0.79	S	S	*	*				-152.1	173.3	-55.9	2.5	0	0	0	0	108.6
349	D	33.2	Very low	28.3	Very low	154 Å²	154	134.8 Å²	134.8	82%	0.824	79%	0.787	S	S	*	*			trans	67.6	142.4	166.3	-60.7	-18.6	0	0	0	118.6
350	S	30.3	Very low	28.4	Very low	102 Å²	102	134.5 Å²	134.5	71%	0.713	79%	0.793	S	S	*	*			cis	-163.5	162.2	-18.8	-168.8	0	0	0	0	111.7
351	C	29.5	Very low	28.3	Very low	108 Å²	108	129.6 Å²	129.6	73%	0.73	79%	0.786	S	S	*	*			trans	55.3	88.7	162.1	-73.8	0	0	0	0	121
352	T	24.1	Very low	28.4	Very low	135 Å²	135	127.4 Å²	127.4	83%	0.828	79%	0.786	S	S	*	*				24.2	116.5	116.1	-34	0	0	0	0	119.4
353	S	28.4	Very low	28.5	Very low	118 Å²	118	125.2 Å²	125.2	83%	0.825	78%	0.783	S	S	*	*				-168.8	143	120.1	42.3	0	0	0	0	115
354	I	23.5	Very low	28.6	Very low	150 Å²	150	119.6 Å²	119.6	77%	0.769	76%	0.764	S	S	*	*			trans	-62.6	136.3	174	-50.3	161.6	0	0	0	110
355	L	24.9	Very low	29.2	Very low	148 Å²	148	111.8 Å²	111.8	78%	0.775	73%	0.731	S	S	*	*				176	145.9	121	-93.5	169.7	0	0	0	115
356	I	23.3	Very low	29.3	Very low	158 Å²	158	110.2 Å²	110.2	81%	0.81	71%	0.712	S	S	*	*			trans	-47	133	174	-60.5	158.5	0	0	0	111.7
357	S	25.2	Very low	29.6	Very low	111 Å²	111	108.3 Å²	108.3	78%	0.776	69%	0.691	S	S	*	*			trans	-149.4	120.1	167.4	-79.2	0	0	0	0	111.6	S359	S357-S359 PolarHBondContact O-N 3.36Å
358	S	24.2	Very low	29.6	Very low	114 Å²	114	106.9 Å²	106.9	80%	0.797	67%	0.674	S	S	*	*			trans	-83.4	105	-176.6	36.5	0	0	0	0	112.1	V360	S358-V360 PolarHBondContact O-N 3.48Å; S358-V360 VanDerWaalsContact O-N 3.16Å
359	S	28.4	Very low	29.6	Very low	120 Å²	120	106.7 Å²	106.7	84%	0.839	67%	0.665	S	S	*	*			trans	-82.2	88.5	180	43.6	0	0	0	0	112.7	S357 G361	S357-S359 PolarHBondContact O-N 3.36Å; S359-G361 VanDerWaalsContact C-N 3.31Å; S359-G361 PolarHBondContact O-N 2.89Å
360	V	27.7	Very low	29.6	Very low	117 Å²	117	105.7 Å²	105.7	71%	0.709	65%	0.65	S	S	*	*			trans	-67.4	80.7	171.6	-78.7	0	0	0	0	112.7	S358 S362	S358-V360 PolarHBondContact O-N 3.48Å; S358-V360 VanDerWaalsContact O-N 3.16Å; V360-S362 PolarHBondContact O-N 3.21Å; V360-S362 VanDerWaalsContact O-N 3.12Å
361	G	28.6	Very low	29.8	Very low	72 Å²	72	105.3 Å²	105.3	74%	0.742	64%	0.639	S	S	*	*			trans	-66.4	101.9	-179.5	0	0	0	0	0	113.7	S359 S363	S359-G361 VanDerWaalsContact C-N 3.31Å; S359-G361 PolarHBondContact O-N 2.89Å; G361-S363 PolarHBondContact O-N 2.74Å
362	S	27.8	Very low	30	Very low	92 Å²	92	104.2 Å²	104.2	64%	0.643	63%	0.629	S	S	*	*			trans	-82.6	95.3	-178.8	-63.9	0	0	0	0	112.7	V360 S364	V360-S362 PolarHBondContact O-N 3.21Å; V360-S362 VanDerWaalsContact O-N 3.12Å; S362-S364 VanDerWaalsContact C-N 3.35Å; S362-S364 PolarHBondContact O-N 2.93Å
363	S	30.4	Very low	30.3	Very low	98 Å²	98	105.3 Å²	105.3	69%	0.685	62%	0.617	S	S	*	*			trans	-72.5	76.7	178.7	47.6	0	0	0	0	113.6	G361	G361-S363 PolarHBondContact O-N 2.74Å
364	S	34.5	Very low	30.6	Very low	64 Å²	64	102.6 Å²	102.6	45%	0.448	59%	0.594	S	S	.	*			trans	-88.4	117.7	170.6	-63.4	0	0	0	0	111.1	S362 V639	S362-S364 VanDerWaalsContact C-N 3.35Å; S362-S364 PolarHBondContact O-N 2.93Å; S364-V639 WeakPolarHBondContact OG-CG2 3.47Å
365	S	37.6	Very low	31.2	Very low	27 Å²	27	101.5 Å²	101.5	19%	0.189	59%	0.588	C	S	.	*			trans	-46	126.8	-167.3	-42.7	0	0	0	0	114.4	I367 E501 R510 K573	S365-I367 PolarHBondContact O-N 3.4Å; S365-E501 WeakPolarHBondContact CA-OE1 3.36Å; S365-E501 WeakPolarHBondContact CB-OE2 3.43Å; S365-E501 PolarHBondContact OG-OE2 2.87Å; S365-R510 PolarHBondContact OG-NH2 3.35Å; S365-K573 PolarHBondContact OG-NZ 3.38Å
366	P	34.6	Very low	31.5	Very low	74 Å²	74	100.1 Å²	100.1	48%	0.481	58%	0.582	S	S	.	*	G	3₁₀ helix	trans	-63.5	-19.6	-169.9	-26.3	34.9	0	0	0	116.9	L368 H369 R370	P366-L368 PolarHBondContact O-N 2.97Å; P366-H369 PolarHBondContact O-N 3.14Å; P366-H369 VanDerWaalsContact O-N 3.11Å; P366-R370 PolarHBondContact O-N 3.12Å
367	I	38.6	Very low	32.2	Very low	80 Å²	80	98.1 Å²	98.1	41%	0.41	57%	0.571	S	S	.	*	G	3₁₀ helix	trans	-61.3	-24.2	-158.4	-65	171.3	0	0	0	114.4	S365 I371 R498	S365-I367 PolarHBondContact O-N 3.4Å; I367-I371 WeakPolarHBondContact O-CD1 3.42Å; I367-R498 WeakPolarHBondContact CD1-O 3.43Å
368	L	34	Very low	32.6	Very low	80 Å²	80	101.4 Å²	101.4	42%	0.419	57%	0.572	S	S	.	*	G	3₁₀ helix	trans	-105.8	-21.2	179	-74.4	145.2	0	0	0	113.9	P366 T372 A631	P366-L368 PolarHBondContact O-N 2.97Å; L368-T372 PolarHBondContact O-OG1 3.43Å; L368-A631 HydrophobicContact CD1-CB 3.71Å; L368-A631 HydrophobicContact CD2-CB 3.52Å; L368-A631 HydrophobicContact CG-CB 4.25Å
369	H	32.3	Very low	33	Very low	119 Å²	119	100 Å²	100	55%	0.551	56%	0.562	S	S	*	*	H	α-helix	trans	-85	-25.2	-174.5	-156.6	-64.1	0	0	0	112.6	P366	P366-H369 PolarHBondContact O-N 3.14Å; P366-H369 VanDerWaalsContact O-N 3.11Å
370	R	34.1	Very low	33.2	Very low	133 Å²	133	100.8 Å²	100.8	50%	0.502	56%	0.557	S	S	.	*	H	α-helix	trans	-70.3	-53	170.2	-79.3	-174.5	163.2	171.9	-11.3	112.1	P366 T372 R373 P395	P366-R370 PolarHBondContact O-N 3.12Å; R370-T372 PolarHBondContact O-N 3.07Å; R370-T372 VanDerWaalsContact O-N 3.09Å; R370-R373 PolarHBondContact O-N 2.77Å; R370-R373 VanDerWaalsContact O-N 3.11Å; R370-P395 HydrophobicContact CB-CB 3.77Å; R370-P395 HydrophobicContact CG-CB 4.38Å
371	I	33.6	Very low	33.5	Very low	94 Å²	94	104.2 Å²	104.2	48%	0.482	57%	0.565	S	S	.	*	H	α-helix	trans	-57.6	-31.7	-175.7	-61.7	176	0	0	0	112.5	I367 P395	I367-I371 WeakPolarHBondContact O-CD1 3.42Å; I371-P395 HydrophobicContact CG1-CG 4.23Å
372	T	33.6	Very low	33.7	Very low	85 Å²	85	106.9 Å²	106.9	52%	0.521	57%	0.567	S	S	.	*	H	α-helix	trans	-82	-32.2	-179.2	-41.9	0	0	0	0	113	L368 R370	L368-T372 PolarHBondContact O-OG1 3.43Å; R370-T372 PolarHBondContact O-N 3.07Å; R370-T372 VanDerWaalsContact O-N 3.09Å
373	R	31.6	Very low	33.8	Very low	157 Å²	157	108.6 Å²	108.6	59%	0.592	58%	0.579	S	S	*	*	H	α-helix	trans	-71.8	-39.5	-176.8	-96.3	-171.8	174.1	164.3	0.5	113.3	R370 I375 D376 I377	R370-R373 PolarHBondContact O-N 2.77Å; R370-R373 VanDerWaalsContact O-N 3.11Å; R373-I375 PolarHBondContact O-N 3.02Å; R373-I375 VanDerWaalsContact O-N 3.13Å; R373-D376 PolarHBondContact O-N 3.36Å; R373-I377 WeakPolarHBondContact O-CG1 3.46Å; R373-I377 PolarHBondContact O-N 2.76Å
374	N	33.4	Very low	33.8	Very low	61 Å²	61	107.4 Å²	107.4	33%	0.326	58%	0.582	S	S	.	*	H	α-helix	trans	-74.7	-4	-172	-62.1	24.1	0	0	0	113.1	D393	N374-D393 PolarHBondContact ND2-OD1 3.22Å; N374-D393 PolarHBondContact ND2-OD2 3.14Å
375	I	36.2	Very low	33.5	Very low	127 Å²	127	111.6 Å²	111.6	65%	0.651	60%	0.6	S	S	*	*	H	α-helix	trans	-91.1	-34.7	174.1	-64.2	176.2	0	0	0	111.5	R373	R373-I375 PolarHBondContact O-N 3.02Å; R373-I375 VanDerWaalsContact O-N 3.13Å
376	D	32.8	Very low	33.1	Very low	120 Å²	120	118.1 Å²	118.1	64%	0.642	63%	0.631	S	S	*	*	H	α-helix	trans	-86.6	-13.4	-175.9	-69.7	-27	0	0	0	113.6	R373 S379	R373-D376 PolarHBondContact O-N 3.36Å; D376-S379 PolarHBondContact O-OG 3.3Å
377	I	37.2	Very low	32.9	Very low	115 Å²	115	122.2 Å²	122.2	59%	0.59	65%	0.648	S	S	*	*	S	Bend	trans	-90.3	-32.2	-176.2	-66.7	171.8	0	0	0	112.9	R373 S379	R373-I377 WeakPolarHBondContact O-CG1 3.46Å; R373-I377 PolarHBondContact O-N 2.76Å; I377-S379 PolarHBondContact O-N 3.45Å
378	F	32.8	Very low	32.3	Very low	181 Å²	181	124.8 Å²	124.8	79%	0.794	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	16.2	-177.8	-89.5	-79.1	0	0	0	115.2
379	S	34.2	Very low	32.1	Very low	84 Å²	84	129.9 Å²	129.9	59%	0.587	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.6	1.2	-176.4	68.4	0	0	0	0	115	D376 I377	D376-S379 PolarHBondContact O-OG 3.3Å; I377-S379 PolarHBondContact O-N 3.45Å
380	N	31.2	Very low	32	Very low	136 Å²	136	134.2 Å²	134.2	73%	0.727	70%	0.702	S	S	*	*	S	Bend	trans	-145.2	151	-178.9	-87.1	-67.9	0	0	0	113.4
381	Q	34.4	Very low	31.9	Very low	189 Å²	189	135.7 Å²	135.7	88%	0.883	72%	0.72	S	S	*	*			trans	77.8	153.4	177.9	-55	-172.7	-4.2	0	0	116.3
382	T	32.2	Very low	31.8	Very low	128 Å²	128	138.6 Å²	138.6	79%	0.785	74%	0.736	S	S	*	*			trans	-148.2	144.1	-149.7	50.5	0	0	0	0	112.3
383	S	30.5	Very low	32	Very low	129 Å²	129	138.9 Å²	138.9	90%	0.902	74%	0.735	S	S	*	*			trans	66	115.3	158.6	-52.2	0	0	0	0	117.5
384	G	29.8	Very low	32.3	Very low	72 Å²	72	135 Å²	135	74%	0.742	73%	0.726	S	S	*	*			trans	164.2	97.8	168.3	0	0	0	0	0	114.3
385	D	29.8	Very low	32.7	Very low	153 Å²	153	134.3 Å²	134.3	82%	0.818	72%	0.724	S	S	*	*			trans	37.5	104.3	146.8	-54	-25.7	0	0	0	121.7
386	I	28.5	Very low	33.1	Very low	164 Å²	164	130.3 Å²	130.3	84%	0.841	70%	0.701	S	S	*	*			trans	25.7	97.6	132.2	-47.1	171	0	0	0	117.2
387	L	30	Very low	33.3	Very low	160 Å²	160	127.5 Å²	127.5	84%	0.838	70%	0.695	S	S	*	*			trans	-150.7	156	135.5	-102.3	179.5	0	0	0	109.9	E389	L387-E389 PolarHBondContact O-N 3.33Å
388	T	26.2	Very low	33.8	Very low	134 Å²	134	124.3 Å²	124.3	82%	0.822	68%	0.68	S	S	*	*			trans	-92.1	85.6	-176.1	53.6	0	0	0	0	111.7
389	E	29.1	Very low	34.7	Very low	186 Å²	186	119.4 Å²	119.4	87%	0.869	66%	0.662	S	S	*	*			trans	-80.4	145.4	171.5	-68.8	-164.4	120.7	0	0	112.4	L387	L387-E389 PolarHBondContact O-N 3.33Å
390	Y	31.6	Very low	35.5	Very low	211 Å²	211	116.4 Å²	116.4	83%	0.827	64%	0.64	S	S	*	*			trans	-81.3	127.8	172.2	-86.4	-110.7	0	0	0	109.5	N392	Y390-N392 PolarHBondContact O-N 3.09Å
391	D	30.3	Very low	36.4	Very low	164 Å²	164	114.6 Å²	114.6	88%	0.877	64%	0.636	S	S	*	*			trans	-65.7	91.8	-177.6	-154.5	-6.5	0	0	0	110.6	D393	D391-D393 VanDerWaalsContact C-N 3.34Å; D391-D393 PolarHBondContact O-N 3.42Å
392	N	32.8	Very low	37.2	Very low	154 Å²	154	111.9 Å²	111.9	82%	0.824	64%	0.638	S	S	*	*			trans	-93.9	11.9	-163.4	-124.3	-29.7	0	0	0	113.6	Y390	Y390-N392 PolarHBondContact O-N 3.09Å
393	D	36.7	Very low	38.1	Very low	92 Å²	92	111.8 Å²	111.8	49%	0.492	63%	0.631	S	S	.	*			trans	-105.1	36.7	-159.5	-132.8	-12.8	0	0	0	113.5	N374 D391 P395	N374-D393 PolarHBondContact ND2-OD1 3.22Å; N374-D393 PolarHBondContact ND2-OD2 3.14Å; D391-D393 VanDerWaalsContact C-N 3.34Å; D391-D393 PolarHBondContact O-N 3.42Å; D393-P395 WeakPolarHBondContact O-CD 3.3Å
394	D	39.6	Very low	39.2	Very low	75 Å²	75	113.8 Å²	113.8	40%	0.401	63%	0.632	S	S	.	*			trans	-76.7	110.7	166.9	-172.9	-5	0	0	0	110	R396 A397	D394-R396 PolarHBondContact O-N 2.88Å; D394-R396 WeakPolarHBondContact OD1-CA 3.34Å; D394-R396 WeakPolarHBondContact OD1-CB 3.28Å; D394-R396 PolarHBondContact OD1-N 2.9Å; D394-A397 PolarHBondContact O-N 2.96Å; D394-A397 VanDerWaalsContact O-N 3.08Å
395	P	39.9	Very low	41.1	Very low	46 Å²	46	114.6 Å²	114.6	30%	0.299	62%	0.619	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.5	-10.7	176.6	29.1	-37.3	0	0	0	113.6	R370 I371 D393	R370-P395 HydrophobicContact CB-CB 3.77Å; R370-P395 HydrophobicContact CG-CB 4.38Å; I371-P395 HydrophobicContact CG1-CG 4.23Å; D393-P395 WeakPolarHBondContact O-CD 3.3Å
396	R	44.8	Very low	43.8	Very low	44 Å²	44	109.9 Å²	109.9	17%	0.166	59%	0.594	C	S	.	*	T	Hydrogen-bonded Turn	trans	-110.8	18.2	177	-52.3	-168.8	70.8	139.4	7.9	114	Y66 L93 C94 A95 D394 T398 R498 Y499	Y66-R396 WeakPolarHBondContact OH-CD 3.25Å; L93-R396 VanDerWaalsContact O-CZ 3.26Å; L93-R396 PolarHBondContact O-NH1 3.25Å; L93-R396 PolarHBondContact O-NH2 3.35Å; C94-R396 VanDerWaalsContact C-NH2 3.27Å; C94-R396 VanDerWaalsContact CA-NH2 3.34Å; C94-R396 PolarHBondContact O-NE 2.97Å; C94-R396 PolarHBondContact O-NH2 2.82Å; A95-R396 HydrophobicContact CB-CB 4.22Å; D394-R396 PolarHBondContact O-N 2.88Å; D394-R396 WeakPolarHBondContact OD1-CA 3.34Å; D394-R396 WeakPolarHBondContact OD1-CB 3.28Å; D394-R396 PolarHBondContact OD1-N 2.9Å; R396-T398 PolarHBondContact O-N 3.1Å; R396-R498 PolarHBondContact O-NH1 3.44Å; R396-R498 PolarHBondContact O-NH2 3.39Å; R396-Y499 PolarHBondContact NH2-OH 3.4Å
397	A	38.6	Very low	46.7	Very low	61 Å²	61	103 Å²	103	50%	0.504	56%	0.559	S	S	.	*			trans	-43	125.4	172.5	0	0	0	0	0	111.7	D394 R498	D394-A397 PolarHBondContact O-N 2.96Å; D394-A397 VanDerWaalsContact O-N 3.08Å; A397-R498 VanDerWaalsContact C-NH2 3.33Å; A397-R498 PolarHBondContact O-NH2 3.01Å
398	T	47.1	Very low	49.5	Very low	47 Å²	47	99.2 Å²	99.2	29%	0.288	54%	0.537	S	S	.	.			trans	-56	144.1	-165.6	-44.3	0	0	0	0	113.1	P97 R396 V400 R498	P97-T398 HydrophobicContact CB-CG2 3.8Å; P97-T398 HydrophobicContact CG-CG2 3.92Å; R396-T398 PolarHBondContact O-N 3.1Å; T398-V400 HydrophobicContact CG2-CB 4.1Å; T398-V400 HydrophobicContact CG2-CG2 4.08Å; T398-V400 PolarHBondContact O-N 2.89Å; T398-R498 VanDerWaalsContact CA-NH2 3.3Å
399	L	50.5	Low	52.6	Low	78 Å²	78	99.6 Å²	99.6	41%	0.408	53%	0.527	S	S	.	.	S	Bend	trans	-77.4	23.4	172.9	-65.6	171.6	0	0	0	113.4	R462 E497 R498	L399-R462 PolarHBondContact O-NH2 3.05Å; L399-E497 HydrophobicContact CD1-CB 3.56Å; L399-E497 HydrophobicContact CD1-CG 4.09Å; L399-R498 HydrophobicContact CD1-CG 4.13Å
400	V	52.8	Low	55.6	Low	21 Å²	21	91.9 Å²	91.9	13%	0.127	49%	0.492	C	S	.	.	S	Bend	trans	-103.7	118.8	161.7	176.2	0	0	0	0	105	P97 T398 W490	P97-V400 HydrophobicContact CB-CG2 4.1Å; P97-V400 HydrophobicContact CG-CG2 4Å; T398-V400 HydrophobicContact CG2-CB 4.1Å; T398-V400 HydrophobicContact CG2-CG2 4.08Å; T398-V400 PolarHBondContact O-N 2.89Å; V400-W490 HydrophobicContact CG2-CH2 3.84Å; V400-W490 HydrophobicContact CG2-CZ3 3.8Å
401	P	48.7	Very low	58.6	Low	98 Å²	98	82.3 Å²	82.3	64%	0.636	46%	0.455	S	S	*	.			trans	-53.8	147.6	179.3	-26.3	34.7	0	0	0	111.9	I403	P401-I403 PolarHBondContact O-N 2.93Å; P401-I403 VanDerWaalsContact O-O 3.08Å
402	S	51	Low	61.7	Low	132 Å²	132	78.2 Å²	78.2	92%	0.923	44%	0.435	S	S	*	.	S	Bend	trans	-67.6	19.8	-172.2	-38.7	0	0	0	0	116.3
403	I	51.6	Low	64.7	Low	126 Å²	126	74.8 Å²	74.8	65%	0.646	42%	0.417	S	S	*	.	S	Bend	trans	-89.1	135.1	166.9	-54.5	174.6	0	0	0	106.2	P401 L405	P401-I403 PolarHBondContact O-N 2.93Å; P401-I403 VanDerWaalsContact O-O 3.08Å; I403-L405 HydrophobicContact CB-CD1 4.01Å; I403-L405 HydrophobicContact CG2-CD1 3.7Å; I403-L405 PolarHBondContact O-N 3.04Å
404	D	54.8	Low	67.5	Low	171 Å²	171	71.8 Å²	71.8	91%	0.914	40%	0.399	S	S	*	.			trans	-65.4	59.2	-170.7	-64.6	-68.6	0	0	0	115.8	D406	D404-D406 PolarHBondContact O-N 3.01Å
405	L	69.4	Low	70.2	Confident	90 Å²	90	69.6 Å²	69.6	47%	0.471	39%	0.39	S	S	.	.			trans	-84.6	105.4	172.6	-85.3	76.9	0	0	0	109.9	I403 P407 L410	I403-L405 HydrophobicContact CB-CD1 4.01Å; I403-L405 HydrophobicContact CG2-CD1 3.7Å; I403-L405 PolarHBondContact O-N 3.04Å; L405-P407 VanDerWaalsContact O-CD 3.32Å; L405-P407 WeakPolarHBondContact O-CD 3.28Å; L405-P407 VanDerWaalsContact O-N 3.17Å; L405-L410 HydrophobicContact CD2-CD1 4.33Å; L405-L410 HydrophobicContact CD2-CD2 4.44Å
406	D	85.5	Confident	72.9	Confident	54 Å²	54	74.1 Å²	74.1	29%	0.289	41%	0.41	S	S	.	.			trans	-44.4	114.6	166.4	-179	-22.2	0	0	0	111.5	D404 E408 K409 L410	D404-D406 PolarHBondContact O-N 3.01Å; D406-E408 PolarHBondContact O-N 3.27Å; D406-E408 WeakPolarHBondContact OD1-CB 3.19Å; D406-E408 PolarHBondContact OD1-N 2.93Å; D406-K409 HydrophobicContact CB-CB 4.09Å; D406-K409 HydrophobicContact CB-CD 4.05Å; D406-K409 HydrophobicContact CB-CG 3.95Å; D406-K409 PolarHBondContact O-N 2.95Å; D406-K409 VanDerWaalsContact O-N 3.12Å; D406-K409 PolarHBondContact OD1-N 3.42Å; D406-K409 IonicContact OD2-NZ 2.73Å; D406-K409 PolarHBondContact OD2-NZ 3.43Å; D406-L410 PolarHBondContact O-N 3.36Å
407	P	88.8	Confident	75.3	Confident	18 Å²	18	76.1 Å²	76.1	12%	0.117	42%	0.422	C	S	.	.	H	α-helix	trans	-61.9	-25.7	-177.2	-24.7	34.9	0	0	0	114.2	P97 M98 V101 L405 Y411 W490	P97-P407 HydrophobicContact CB-CB 4.15Å; P97-P407 HydrophobicContact CB-CG 3.78Å; M98-P407 HydrophobicContact SD-CB 3.81Å; V101-P407 HydrophobicContact CG2-CG 4.25Å; L405-P407 VanDerWaalsContact O-CD 3.32Å; L405-P407 WeakPolarHBondContact O-CD 3.28Å; L405-P407 VanDerWaalsContact O-N 3.17Å; P407-Y411 WeakPolarHBondContact O-CB 3.45Å; P407-Y411 PolarHBondContact O-N 3.09Å; P407-W490 HydrophobicContact CB-CZ2 4.14Å; P407-W490 PolarHBondContact O-NE1 3Å
408	E	90.5	Very high	78	Confident	82 Å²	82	82.2 Å²	82.2	38%	0.383	44%	0.44	S	S	.	.	H	α-helix	trans	-73.4	-40.7	175.8	-60.7	-170.2	176.3	0	0	111	M98 D406 T412 V486	M98-E408 HydrophobicContact CE-CG 3.8Å; M98-E408 HydrophobicContact SD-CG 4.18Å; D406-E408 PolarHBondContact O-N 3.27Å; D406-E408 WeakPolarHBondContact OD1-CB 3.19Å; D406-E408 PolarHBondContact OD1-N 2.93Å; E408-T412 WeakPolarHBondContact O-CB 3.13Å; E408-T412 PolarHBondContact O-N 2.98Å; E408-T412 PolarHBondContact O-OG1 3.21Å; E408-V486 HydrophobicContact CG-CG2 4.26Å
409	K	91	Very high	80.2	Confident	141 Å²	141	80.8 Å²	80.8	61%	0.613	43%	0.434	S	S	*	.	H	α-helix	trans	-66.7	-40.6	173.8	-65.2	-172.7	-173.8	81.2	0	111.8	D406 T412 N413	D406-K409 HydrophobicContact CB-CB 4.09Å; D406-K409 HydrophobicContact CB-CD 4.05Å; D406-K409 HydrophobicContact CB-CG 3.95Å; D406-K409 PolarHBondContact O-N 2.95Å; D406-K409 VanDerWaalsContact O-N 3.12Å; D406-K409 PolarHBondContact OD1-N 3.42Å; D406-K409 IonicContact OD2-NZ 2.73Å; D406-K409 PolarHBondContact OD2-NZ 3.43Å; K409-T412 WeakPolarHBondContact O-CB 3.31Å; K409-T412 PolarHBondContact O-N 3.34Å; K409-N413 PolarHBondContact O-N 2.8Å
410	L	92.1	Very high	82.3	Confident	25 Å²	25	81.1 Å²	81.1	13%	0.131	44%	0.439	C	S	.	.	H	α-helix	trans	-66.3	-42.8	179.2	-177.3	55.1	0	0	0	111.4	L405 D406 N413 Y414 W490	L405-L410 HydrophobicContact CD2-CD1 4.33Å; L405-L410 HydrophobicContact CD2-CD2 4.44Å; D406-L410 PolarHBondContact O-N 3.36Å; L410-N413 WeakPolarHBondContact O-CB 3.38Å; L410-N413 PolarHBondContact O-N 3Å; L410-Y414 HydrophobicContact CD1-CE1 4.01Å; L410-Y414 HydrophobicContact CD1-CE2 4.04Å; L410-Y414 HydrophobicContact CD2-CE2 4.49Å; L410-Y414 HydrophobicContact CG-CE2 3.78Å; L410-Y414 WeakPolarHBondContact O-CD2 3.14Å; L410-Y414 PolarHBondContact O-N 2.75Å; L410-W490 HydrophobicContact CB-CZ2 4.2Å; L410-W490 HydrophobicContact CD2-CH2 3.78Å; L410-W490 HydrophobicContact CD2-CZ2 3.99Å; L410-W490 HydrophobicContact CG-CH2 4.22Å; L410-W490 HydrophobicContact CG-CZ2 4.08Å
411	Y	94.5	Very high	84.3	Confident	10 Å²	10	84.2 Å²	84.2	4%	0.039	46%	0.462	C	S	.	.	H	α-helix	trans	-60.8	-45.8	170.8	179.3	-116.9	0	0	0	112	P407 N413 Y414 C415 A458 E485 V486 F489	P407-Y411 WeakPolarHBondContact O-CB 3.45Å; P407-Y411 PolarHBondContact O-N 3.09Å; Y411-N413 PolarHBondContact O-N 3.14Å; Y411-Y414 PolarHBondContact O-N 2.94Å; Y411-Y414 VanDerWaalsContact O-N 3.13Å; Y411-C415 WeakPolarHBondContact CE1-SG 3.43Å; Y411-C415 VanDerWaalsContact CE2-SG 3.58Å; Y411-C415 PolarHBondContact O-N 3.38Å; Y411-C415 PolarHBondContact O-SG 2.87Å; Y411-A458 HydrophobicContact CD2-CB 4.18Å; Y411-A458 HydrophobicContact CE2-CB 3.68Å; Y411-E485 HydrophobicContact CE1-CG 4.32Å; Y411-E485 WeakPolarHBondContact CE1-OE1 3.48Å; Y411-E485 WeakPolarHBondContact OH-CG 3.31Å; Y411-E485 PolarHBondContact OH-OE1 3.03Å; Y411-V486 HydrophobicContact CD1-CB 3.74Å; Y411-V486 HydrophobicContact CD1-CG2 3.78Å; Y411-V486 HydrophobicContact CE1-CB 4.21Å; Y411-V486 HydrophobicContact CG-CB 4.41Å; Y411-V486 HydrophobicContact CG-CG2 4.04Å; Y411-F489 HydrophobicContact CD2-CB 3.73Å; Y411-F489 AromaticContact CD2-CD1 3.25Å; Y411-F489 HydrophobicContact CD2-CD1 3.25Å; Y411-F489 AromaticContact CD2-CD2 3.72Å; Y411-F489 HydrophobicContact CD2-CD2 3.72Å; Y411-F489 AromaticContact CD2-CE1 3.69Å; Y411-F489 HydrophobicContact CD2-CE1 3.69Å; Y411-F489 HydrophobicContact CD2-CE2 4.11Å; Y411-F489 AromaticContact CD2-CG 3.26Å; Y411-F489 HydrophobicContact CD2-CG 3.26Å; Y411-F489 HydrophobicContact CD2-CZ 4.09Å; Y411-F489 HydrophobicContact CE2-CB 3.53Å; Y411-F489 AromaticContact CE2-CD1 3.89Å; Y411-F489 HydrophobicContact CE2-CD1 3.89Å; Y411-F489 AromaticContact CE2-CD2 3.54Å; Y411-F489 HydrophobicContact CE2-CD2 3.54Å; Y411-F489 HydrophobicContact CE2-CE1 4.49Å; Y411-F489 HydrophobicContact CE2-CE2 4.2Å; Y411-F489 AromaticContact CE2-CG 3.36Å; Y411-F489 HydrophobicContact CE2-CG 3.36Å; Y411-F489 HydrophobicContact CG-CB 4.47Å; Y411-F489 AromaticContact CG-CD1 3.98Å; Y411-F489 HydrophobicContact CG-CD1 3.98Å; Y411-F489 HydrophobicContact CG-CE1 4.49Å; Y411-F489 HydrophobicContact CG-CG 4.25Å
412	T	95.3	Very high	86.6	Confident	77 Å²	77	82.5 Å²	82.5	47%	0.472	46%	0.457	S	S	.	.	H	α-helix	trans	-57	-38.7	176.8	-57.9	0	0	0	0	111.8	E408 K409 C415 L416	E408-T412 WeakPolarHBondContact O-CB 3.13Å; E408-T412 PolarHBondContact O-N 2.98Å; E408-T412 PolarHBondContact O-OG1 3.21Å; K409-T412 WeakPolarHBondContact O-CB 3.31Å; K409-T412 PolarHBondContact O-N 3.34Å; T412-C415 WeakPolarHBondContact O-CB 3.37Å; T412-C415 PolarHBondContact O-N 2.75Å; T412-L416 HydrophobicContact CG2-CD1 4.36Å; T412-L416 WeakPolarHBondContact O-CG 3.27Å; T412-L416 PolarHBondContact O-N 3.39Å
413	N	95.2	Very high	88.7	Confident	82 Å²	82	77.2 Å²	77.2	44%	0.439	42%	0.418	S	S	.	.	H	α-helix	trans	-63.8	-46.9	175.7	-174.4	-82.1	0	0	0	112.2	K409 L410 Y411 C415 L416 Q417	K409-N413 PolarHBondContact O-N 2.8Å; L410-N413 WeakPolarHBondContact O-CB 3.38Å; L410-N413 PolarHBondContact O-N 3Å; Y411-N413 PolarHBondContact O-N 3.14Å; N413-C415 VanDerWaalsContact C-N 3.26Å; N413-C415 PolarHBondContact O-N 2.51Å; N413-L416 PolarHBondContact O-N 2.94Å; N413-Q417 PolarHBondContact O-N 3.08Å; N413-Q417 PolarHBondContact OD1-NE2 3.23Å
414	Y	96.2	Very high	90.8	Very high	30 Å²	30	71.6 Å²	71.6	12%	0.118	39%	0.39	C	S	.	.	H	α-helix	trans	-61.4	-34.2	174.6	-57.4	-41.8	0	0	0	112.5	L410 Y411 L416 Q417 I461 R462 F489 W490	L410-Y414 HydrophobicContact CD1-CE1 4.01Å; L410-Y414 HydrophobicContact CD1-CE2 4.04Å; L410-Y414 HydrophobicContact CD2-CE2 4.49Å; L410-Y414 HydrophobicContact CG-CE2 3.78Å; L410-Y414 WeakPolarHBondContact O-CD2 3.14Å; L410-Y414 PolarHBondContact O-N 2.75Å; Y411-Y414 PolarHBondContact O-N 2.94Å; Y411-Y414 VanDerWaalsContact O-N 3.13Å; Y414-L416 VanDerWaalsContact C-N 3.33Å; Y414-L416 PolarHBondContact O-N 2.63Å; Y414-Q417 PolarHBondContact O-N 3.21Å; Y414-I461 HydrophobicContact CD1-CG2 3.95Å; Y414-I461 VanDerWaalsContact O-CD1 3.31Å; Y414-I461 WeakPolarHBondContact O-CD1 3.47Å; Y414-R462 HydrophobicContact CD2-CB 4.37Å; Y414-R462 HydrophobicContact CE1-CB 4.18Å; Y414-R462 HydrophobicContact CE2-CB 3.94Å; Y414-R462 HydrophobicContact CE2-CG 4.1Å; Y414-F489 AromaticContact CD2-CE1 3.99Å; Y414-F489 HydrophobicContact CD2-CE1 3.99Å; Y414-F489 AromaticContact CD2-CZ 3.61Å; Y414-F489 HydrophobicContact CD2-CZ 3.61Å; Y414-F489 HydrophobicContact CE2-CE1 4.12Å; Y414-F489 AromaticContact CE2-CZ 3.87Å; Y414-F489 HydrophobicContact CE2-CZ 3.87Å; Y414-W490 HydrophobicContact CE2-CH2 4.32Å
415	C	95.9	Very high	92.8	Very high	29 Å²	29	66.4 Å²	66.4	20%	0.196	36%	0.362	C	S	.	.	H	α-helix	trans	-65.5	-34.4	176.5	-65.1	0	0	0	0	112.9	Y411 T412 N413 T454 K457	Y411-C415 WeakPolarHBondContact CE1-SG 3.43Å; Y411-C415 VanDerWaalsContact CE2-SG 3.58Å; Y411-C415 PolarHBondContact O-N 3.38Å; Y411-C415 PolarHBondContact O-SG 2.87Å; T412-C415 WeakPolarHBondContact O-CB 3.37Å; T412-C415 PolarHBondContact O-N 2.75Å; N413-C415 VanDerWaalsContact C-N 3.26Å; N413-C415 PolarHBondContact O-N 2.51Å; C415-T454 HydrophobicContact CB-CG2 4.08Å; C415-T454 VanDerWaalsContact SG-CG2 3.57Å; C415-K457 PolarHBondContact O-NZ 3.47Å
416	L	95.8	Very high	94.1	Very high	140 Å²	140	65.4 Å²	65.4	73%	0.733	36%	0.355	S	S	*	.	H	α-helix	trans	-78.3	-23.8	-179.5	-70.2	169.3	0	0	0	113.8	T412 N413 Y414	T412-L416 HydrophobicContact CG2-CD1 4.36Å; T412-L416 WeakPolarHBondContact O-CG 3.27Å; T412-L416 PolarHBondContact O-N 3.39Å; N413-L416 PolarHBondContact O-N 2.94Å; Y414-L416 VanDerWaalsContact C-N 3.33Å; Y414-L416 PolarHBondContact O-N 2.63Å
417	Q	95.8	Very high	94.6	Very high	87 Å²	87	62.9 Å²	62.9	41%	0.407	34%	0.341	S	S	.	.	S	Bend	trans	-72.9	150.6	178.6	-71.2	-178.1	53.8	0	0	112.2	N413 Y414 K457 I461	N413-Q417 PolarHBondContact O-N 3.08Å; N413-Q417 PolarHBondContact OD1-NE2 3.23Å; Y414-Q417 PolarHBondContact O-N 3.21Å; Q417-K457 PolarHBondContact O-NZ 3.26Å; Q417-I461 HydrophobicContact CB-CD1 4Å; Q417-I461 HydrophobicContact CB-CG2 3.96Å; Q417-I461 HydrophobicContact CG-CG2 4.41Å; Q417-I461 WeakPolarHBondContact O-CD1 3.43Å
418	E	94.6	Very high	94.9	Very high	189 Å²	189	67.8 Å²	67.8	88%	0.883	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-78.7	132.8	172.1	-63.2	-168.2	158.1	0	0	110.4
419	G	93.8	Very high	95.1	Very high	17 Å²	17	70.9 Å²	70.9	18%	0.175	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-84.9	157.6	172.4	0	0	0	0	0	110.7	S421 C424	G419-S421 PolarHBondContact O-N 3.14Å; G419-C424 PolarHBondContact O-SG 3.24Å
420	T	95.2	Very high	95.3	Very high	84 Å²	84	64.5 Å²	64.5	52%	0.515	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-60.4	141.7	175	68.5	0	0	0	0	110.5	A422 N423 C424	T420-A422 VanDerWaalsContact C-N 3.26Å; T420-A422 PolarHBondContact O-N 3.06Å; T420-N423 PolarHBondContact O-N 2.9Å; T420-N423 VanDerWaalsContact O-N 3.11Å; T420-N423 WeakPolarHBondContact OG1-CB 3.4Å; T420-N423 VanDerWaalsContact OG1-CG 3.32Å; T420-N423 PolarHBondContact OG1-N 3.47Å; T420-N423 PolarHBondContact OG1-ND2 2.88Å; T420-N423 VanDerWaalsContact OG1-ND2 3.11Å; T420-C424 PolarHBondContact O-N 2.8Å; T420-C424 PolarHBondContact O-SG 3.11Å
421	S	95.3	Very high	95.4	Very high	86 Å²	86	63.9 Å²	63.9	60%	0.601	34%	0.335	S	S	*	.	H	α-helix	trans	-55.7	-42.9	-176.2	-170.2	0	0	0	0	112	G419 N423 C424 D425	G419-S421 PolarHBondContact O-N 3.14Å; S421-N423 PolarHBondContact O-N 3.03Å; S421-C424 PolarHBondContact O-N 3.3Å; S421-D425 WeakPolarHBondContact O-CB 3.5Å; S421-D425 PolarHBondContact O-N 3.04Å
422	A	95.3	Very high	95.3	Very high	63 Å²	63	66.8 Å²	66.8	52%	0.521	35%	0.351	S	S	.	.	H	α-helix	trans	-58.5	-44.1	177.3	0	0	0	0	0	113.3	T420 Q426	T420-A422 VanDerWaalsContact C-N 3.26Å; T420-A422 PolarHBondContact O-N 3.06Å; A422-Q426 VanDerWaalsContact O-CG 3.3Å; A422-Q426 WeakPolarHBondContact O-CG 3.25Å; A422-Q426 PolarHBondContact O-N 3.27Å; A422-Q426 VanDerWaalsContact O-N 3.15Å
423	N	95.8	Very high	95.1	Very high	21 Å²	21	65.1 Å²	65.1	11%	0.112	34%	0.336	C	S	.	.	H	α-helix	trans	-68	-47.1	176.1	-74.9	-22.6	0	0	0	110.9	T420 S421 D425 Q426 I427 T460 G467 Y468	T420-N423 PolarHBondContact O-N 2.9Å; T420-N423 VanDerWaalsContact O-N 3.11Å; T420-N423 WeakPolarHBondContact OG1-CB 3.4Å; T420-N423 VanDerWaalsContact OG1-CG 3.32Å; T420-N423 PolarHBondContact OG1-N 3.47Å; T420-N423 PolarHBondContact OG1-ND2 2.88Å; T420-N423 VanDerWaalsContact OG1-ND2 3.11Å; S421-N423 PolarHBondContact O-N 3.03Å; N423-D425 VanDerWaalsContact C-N 3.29Å; N423-D425 PolarHBondContact O-N 2.91Å; N423-Q426 PolarHBondContact O-N 2.72Å; N423-I427 WeakPolarHBondContact O-CD1 3.39Å; N423-I427 VanDerWaalsContact O-CG1 3.23Å; N423-I427 WeakPolarHBondContact O-CG1 3.47Å; N423-I427 PolarHBondContact O-N 3.01Å; N423-T460 HydrophobicContact CB-CG2 4.11Å; N423-G467 WeakPolarHBondContact ND2-CA 3.45Å; N423-Y468 PolarHBondContact OD1-N 3.34Å
424	C	96.7	Very high	95.1	Very high	8 Å²	8	61.5 Å²	61.5	5%	0.054	32%	0.316	C	S	.	.	H	α-helix	trans	-57.1	-43.1	-179.7	-62.4	0	0	0	0	111.9	G419 T420 S421 I427 R428 Y453	G419-C424 PolarHBondContact O-SG 3.24Å; T420-C424 PolarHBondContact O-N 2.8Å; T420-C424 PolarHBondContact O-SG 3.11Å; S421-C424 PolarHBondContact O-N 3.3Å; C424-I427 PolarHBondContact O-N 3.06Å; C424-R428 WeakPolarHBondContact O-CB 3.35Å; C424-R428 WeakPolarHBondContact O-CD 3.34Å; C424-R428 VanDerWaalsContact O-CG 3.23Å; C424-R428 WeakPolarHBondContact O-CG 3.27Å; C424-R428 PolarHBondContact O-N 3.46Å; C424-Y453 HydrophobicContact CB-CE2 4.37Å
425	D	96	Very high	94.9	Very high	61 Å²	61	60.5 Å²	60.5	33%	0.326	31%	0.313	S	S	.	.	H	α-helix	trans	-75.9	-29.1	-178.9	-74.9	-7.7	0	0	0	113.4	S421 N423 R428 R429	S421-D425 WeakPolarHBondContact O-CB 3.5Å; S421-D425 PolarHBondContact O-N 3.04Å; N423-D425 VanDerWaalsContact C-N 3.29Å; N423-D425 PolarHBondContact O-N 2.91Å; D425-R428 IonicContact OD1-CZ 3.34Å; D425-R428 IonicContact OD1-NH1 2.74Å; D425-R428 PolarHBondContact OD1-NH1 2.99Å; D425-R429 WeakPolarHBondContact O-CG 3.17Å; D425-R429 PolarHBondContact O-N 3.37Å; D425-R429 PolarHBondContact O-NH1 2.69Å; D425-R429 VanDerWaalsContact O-NH1 3.08Å
426	Q	96	Very high	94.8	Very high	70 Å²	70	61.9 Å²	61.9	33%	0.327	32%	0.322	S	S	.	.	H	α-helix	trans	-65.4	-50.1	167.4	-72.9	-179.5	43.8	0	0	110.9	A422 N423 R428 R429 D430 Y468	A422-Q426 VanDerWaalsContact O-CG 3.3Å; A422-Q426 WeakPolarHBondContact O-CG 3.25Å; A422-Q426 PolarHBondContact O-N 3.27Å; A422-Q426 VanDerWaalsContact O-N 3.15Å; N423-Q426 PolarHBondContact O-N 2.72Å; Q426-R428 VanDerWaalsContact C-N 3.32Å; Q426-R428 PolarHBondContact O-N 2.77Å; Q426-R429 PolarHBondContact O-N 3.45Å; Q426-R429 VanDerWaalsContact O-N 3.13Å; Q426-D430 PolarHBondContact O-N 2.97Å; Q426-Y468 HydrophobicContact CB-CD1 3.74Å; Q426-Y468 HydrophobicContact CB-CE1 4.29Å
427	I	97.5	Very high	94.7	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-58.1	-43.9	179.4	-63.2	161.7	0	0	0	110.6	N423 C424 R429 D430 I431 Y453 L456 T460 Y468	N423-I427 WeakPolarHBondContact O-CD1 3.39Å; N423-I427 VanDerWaalsContact O-CG1 3.23Å; N423-I427 WeakPolarHBondContact O-CG1 3.47Å; N423-I427 PolarHBondContact O-N 3.01Å; C424-I427 PolarHBondContact O-N 3.06Å; I427-R429 VanDerWaalsContact C-N 3.34Å; I427-R429 PolarHBondContact O-N 2.75Å; I427-D430 WeakPolarHBondContact O-CA 3.36Å; I427-D430 PolarHBondContact O-N 2.96Å; I427-I431 HydrophobicContact CG2-CG2 4.09Å; I427-I431 WeakPolarHBondContact O-CG2 3.21Å; I427-I431 PolarHBondContact O-N 3.28Å; I427-Y453 HydrophobicContact CB-CD2 4.25Å; I427-Y453 HydrophobicContact CB-CE2 4.49Å; I427-Y453 HydrophobicContact CG2-CD2 3.64Å; I427-Y453 HydrophobicContact CG2-CE2 4.33Å; I427-Y453 HydrophobicContact CG2-CG 4.43Å; I427-L456 HydrophobicContact CD1-CB 3.95Å; I427-L456 HydrophobicContact CG1-CB 4.15Å; I427-L456 HydrophobicContact CG2-CB 3.92Å; I427-L456 HydrophobicContact CG2-CD1 3.9Å; I427-T460 HydrophobicContact CD1-CG2 4.19Å; I427-Y468 HydrophobicContact CD1-CD2 4.27Å; I427-Y468 HydrophobicContact CD1-CG 4.31Å; I427-Y468 HydrophobicContact CG1-CD1 4.09Å; I427-Y468 HydrophobicContact CG1-CD2 3.59Å; I427-Y468 HydrophobicContact CG1-CE2 4.11Å; I427-Y468 HydrophobicContact CG1-CG 3.58Å
428	R	95.3	Very high	94.6	Very high	121 Å²	121	56.4 Å²	56.4	46%	0.457	29%	0.291	S	S	.	.	H	α-helix	trans	-59.4	-38	176.8	-75.9	165.8	-176.1	148.3	-1.4	113.8	C424 D425 Q426 D430 I431 Y453	C424-R428 WeakPolarHBondContact O-CB 3.35Å; C424-R428 WeakPolarHBondContact O-CD 3.34Å; C424-R428 VanDerWaalsContact O-CG 3.23Å; C424-R428 WeakPolarHBondContact O-CG 3.27Å; C424-R428 PolarHBondContact O-N 3.46Å; D425-R428 IonicContact OD1-CZ 3.34Å; D425-R428 IonicContact OD1-NH1 2.74Å; D425-R428 PolarHBondContact OD1-NH1 2.99Å; Q426-R428 VanDerWaalsContact C-N 3.32Å; Q426-R428 PolarHBondContact O-N 2.77Å; R428-D430 VanDerWaalsContact C-N 3.28Å; R428-I431 WeakPolarHBondContact O-CG1 3.13Å; R428-Y453 HydrophobicContact CG-CD2 4.12Å; R428-Y453 HydrophobicContact CG-CE2 3.85Å; R428-Y453 PolarHBondContact NH2-OH 3.12Å
429	R	93.9	Very high	94.6	Very high	147 Å²	147	49.5 Å²	49.5	56%	0.555	26%	0.258	S	S	*	.	H	α-helix	trans	-71.7	-26.3	173.8	-69.9	-175.5	-63.3	-91.1	4.4	112.3	D425 Q426 I427 R433	D425-R429 WeakPolarHBondContact O-CG 3.17Å; D425-R429 PolarHBondContact O-N 3.37Å; D425-R429 PolarHBondContact O-NH1 2.69Å; D425-R429 VanDerWaalsContact O-NH1 3.08Å; Q426-R429 PolarHBondContact O-N 3.45Å; Q426-R429 VanDerWaalsContact O-N 3.13Å; I427-R429 VanDerWaalsContact C-N 3.34Å; I427-R429 PolarHBondContact O-N 2.75Å; R429-R433 VanDerWaalsContact C-NH1 3.33Å; R429-R433 PolarHBondContact O-NH1 2.71Å
430	D	94.6	Very high	94.6	Very high	8 Å²	8	49.9 Å²	49.9	4%	0.043	26%	0.256	C	S	.	.	H	α-helix	trans	-84.5	-39.3	-176.7	-83.2	34.6	0	0	0	113.7	Q426 I427 R428 D432 R433 Q434 Y468 A473	Q426-D430 PolarHBondContact O-N 2.97Å; I427-D430 WeakPolarHBondContact O-CA 3.36Å; I427-D430 PolarHBondContact O-N 2.96Å; R428-D430 VanDerWaalsContact C-N 3.28Å; D430-D432 VanDerWaalsContact C-N 3.33Å; D430-D432 PolarHBondContact O-N 2.96Å; D430-R433 VanDerWaalsContact CA-NH1 3.34Å; D430-R433 PolarHBondContact O-N 2.7Å; D430-R433 IonicContact OD1-CZ 3.84Å; D430-R433 IonicContact OD1-NH1 2.65Å; D430-R433 PolarHBondContact OD1-NH1 3.42Å; D430-R433 IonicContact OD1-NH2 3.17Å; D430-R433 PolarHBondContact OD1-NH2 2.66Å; D430-R433 IonicContact OD2-NH2 2.73Å; D430-R433 PolarHBondContact OD2-NH2 2.95Å; D430-Q434 WeakPolarHBondContact O-CG 3.38Å; D430-Q434 PolarHBondContact O-NE2 2.73Å; D430-Y468 HydrophobicContact CB-CE1 4.26Å; D430-Y468 WeakPolarHBondContact CB-OH 3.31Å; D430-Y468 WeakPolarHBondContact OD2-CE1 3.08Å; D430-Y468 PolarHBondContact OD2-OH 2.71Å; D430-A473 HydrophobicContact CB-CB 4.39Å
431	I	95	Very high	94.6	Very high	12 Å²	12	46 Å²	46	6%	0.062	23%	0.232	C	C	.	.	H	α-helix	trans	-59.8	-40.1	179.6	61.5	-175.3	0	0	0	112.9	I427 R428 R433 Q434 Q449 L452	I427-I431 HydrophobicContact CG2-CG2 4.09Å; I427-I431 WeakPolarHBondContact O-CG2 3.21Å; I427-I431 PolarHBondContact O-N 3.28Å; R428-I431 WeakPolarHBondContact O-CG1 3.13Å; I431-R433 PolarHBondContact O-N 2.75Å; I431-Q434 PolarHBondContact O-N 3.21Å; I431-Q434 VanDerWaalsContact O-N 3.11Å; I431-Q449 HydrophobicContact CD1-CB 4.46Å; I431-L452 HydrophobicContact CB-CD2 4.23Å; I431-L452 HydrophobicContact CG2-CB 4.29Å; I431-L452 HydrophobicContact CG2-CD2 3.79Å; I431-L452 HydrophobicContact CG2-CG 3.82Å
432	D	91.4	Very high	94.4	Very high	70 Å²	70	44.7 Å²	44.7	37%	0.374	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-25.9	179.7	-99.3	-21.7	0	0	0	114.1	D430 K444	D430-D432 VanDerWaalsContact C-N 3.33Å; D430-D432 PolarHBondContact O-N 2.96Å; D432-K444 WeakPolarHBondContact OD1-CE 3.39Å; D432-K444 IonicContact OD1-NZ 3.83Å; D432-K444 PolarHBondContact OD1-NZ 3.2Å; D432-K444 IonicContact OD2-NZ 3.98Å; D432-K444 PolarHBondContact OD2-NZ 3.04Å
433	R	92.5	Very high	94.3	Very high	43 Å²	43	47.8 Å²	47.8	16%	0.162	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.5	9	-176.4	70.6	-177.5	-171.1	-78.9	-5.4	114.6	R429 D430 I431	R429-R433 VanDerWaalsContact C-NH1 3.33Å; R429-R433 PolarHBondContact O-NH1 2.71Å; D430-R433 VanDerWaalsContact CA-NH1 3.34Å; D430-R433 PolarHBondContact O-N 2.7Å; D430-R433 IonicContact OD1-CZ 3.84Å; D430-R433 IonicContact OD1-NH1 2.65Å; D430-R433 PolarHBondContact OD1-NH1 3.42Å; D430-R433 IonicContact OD1-NH2 3.17Å; D430-R433 PolarHBondContact OD1-NH2 2.66Å; D430-R433 IonicContact OD2-NH2 2.73Å; D430-R433 PolarHBondContact OD2-NH2 2.95Å; I431-R433 PolarHBondContact O-N 2.75Å
434	Q	94.3	Very high	94.1	Very high	5 Å²	5	54 Å²	54	2%	0.023	25%	0.253	C	S	.	.	S	Bend	trans	-90.3	112.8	172.8	-56.7	-34	-51.8	0	0	111	D430 I431 L452 A473 A477	D430-Q434 WeakPolarHBondContact O-CG 3.38Å; D430-Q434 PolarHBondContact O-NE2 2.73Å; I431-Q434 PolarHBondContact O-N 3.21Å; I431-Q434 VanDerWaalsContact O-N 3.11Å; Q434-L452 HydrophobicContact CB-CD2 4.1Å; Q434-L452 HydrophobicContact CG-CD2 4.15Å; Q434-A473 HydrophobicContact CG-CB 3.72Å; Q434-A477 HydrophobicContact CB-CB 4.36Å
435	F	93.1	Very high	93.9	Very high	9 Å²	9	55.7 Å²	55.7	4%	0.039	27%	0.272	C	S	.	.	S	Bend	trans	46.9	49.4	174.3	-52.6	-70.5	0	0	0	114.6	F28 Q33 F437 H438 F441 A477 V478 M481 W558	F28-F435 HydrophobicContact CE1-CB 4.06Å; F28-F435 AromaticContact CE1-CD1 3.87Å; F28-F435 HydrophobicContact CE1-CD1 3.87Å; F28-F435 HydrophobicContact CE1-CG 4.31Å; F28-F435 HydrophobicContact CZ-CD1 4.09Å; Q33-F435 HydrophobicContact CG-CD1 3.9Å; Q33-F435 HydrophobicContact CG-CE1 3.87Å; F435-F437 PolarHBondContact O-N 3.25Å; F435-H438 HydrophobicContact CB-CB 4.03Å; F435-H438 VanDerWaalsContact O-CB 3.26Å; F435-H438 WeakPolarHBondContact O-CB 3.4Å; F435-H438 PolarHBondContact O-N 3.09Å; F435-F441 HydrophobicContact CB-CD2 4.2Å; F435-A477 HydrophobicContact CD2-CB 3.73Å; F435-A477 HydrophobicContact CE2-CB 3.84Å; F435-V478 HydrophobicContact CE2-CG2 3.92Å; F435-V478 HydrophobicContact CZ-CG2 3.8Å; F435-M481 HydrophobicContact CB-CE 3.76Å; F435-M481 HydrophobicContact CD1-CE 4.24Å; F435-M481 HydrophobicContact CD2-CE 3.6Å; F435-M481 HydrophobicContact CE2-CE 4.25Å; F435-M481 HydrophobicContact CG-CE 3.59Å; F435-W558 AromaticContact CE1-CZ3 3.92Å; F435-W558 HydrophobicContact CE1-CZ3 3.92Å; F435-W558 HydrophobicContact CZ-CZ3 4.15Å
436	P	93.2	Very high	93.8	Very high	59 Å²	59	53 Å²	53	38%	0.383	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-14	-170.9	27.9	-37.3	0	0	0	114.7	S442	P436-S442 VanDerWaalsContact O-CA 3.3Å; P436-S442 WeakPolarHBondContact O-CA 3.42Å; P436-S442 VanDerWaalsContact O-CB 3.23Å; P436-S442 WeakPolarHBondContact O-CB 3.4Å
437	F	92.6	Very high	93.7	Very high	101 Å²	101	53.5 Å²	53.5	44%	0.443	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-1.4	174.2	-55.1	-67.4	0	0	0	113.7	F28 R29 G30 F435	F28-F437 WeakPolarHBondContact CA-O 3.47Å; R29-F437 PolarHBondContact N-O 3.05Å; G30-F437 WeakPolarHBondContact O-CB 3.39Å; F435-F437 PolarHBondContact O-N 3.25Å
438	H	94.8	Very high	93.6	Very high	11 Å²	11	53.6 Å²	53.6	5%	0.051	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-90.2	134.8	179.2	-179	-90.5	0	0	0	111.3	Y26 G27 F28 F435 L440 F441 S442 M481	Y26-H438 PolarHBondContact O-CD2 2.94Å; Y26-H438 PolarHBondContact O-NE2 2.81Å; G27-H438 CarbonylContact O-C 3.57Å; G27-H438 WeakPolarHBondContact O-CA 3.44Å; F28-H438 HydrophobicContact CD1-CB 3.8Å; F28-H438 HydrophobicContact CE1-CB 3.7Å; F28-H438 AromaticContact CE2-CD2 3.83Å; F28-H438 HydrophobicContact CG-CB 4.47Å; F28-H438 HydrophobicContact CZ-CB 4.27Å; F28-H438 AromaticContact CZ-CD2 3.89Å; F435-H438 HydrophobicContact CB-CB 4.03Å; F435-H438 VanDerWaalsContact O-CB 3.26Å; F435-H438 WeakPolarHBondContact O-CB 3.4Å; F435-H438 PolarHBondContact O-N 3.09Å; H438-L440 WeakPolarHBondContact CE1-CB 3.46Å; H438-L440 VanDerWaalsContact ND1-CB 3.3Å; H438-L440 WeakPolarHBondContact ND1-CB 3.49Å; H438-L440 PolarHBondContact ND1-N 3.08Å; H438-L440 VanDerWaalsContact ND1-N 3.19Å; H438-L440 PolarHBondContact O-N 3.08Å; H438-F441 HydrophobicContact CB-CD2 4.25Å; H438-F441 AromaticContact ND1-CD2 3.59Å; H438-F441 AromaticContact ND1-CE2 3.93Å; H438-F441 PolarHBondContact O-N 3.09Å; H438-S442 WeakPolarHBondContact O-CB 3.46Å; H438-S442 PolarHBondContact O-N 3.32Å; H438-S442 PolarHBondContact O-OG 2.74Å; H438-M481 HydrophobicContact CB-CE 4.17Å
439	E	94	Very high	93.7	Very high	43 Å²	43	48.3 Å²	48.3	20%	0.201	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-23.1	-171.5	62.8	-175.4	-167	0	0	115.5	C23 G27 M154 R162	C23-E439 PolarHBondContact SG-OE2 3.02Å; G27-E439 PolarHBondContact O-N 3.15Å; M154-E439 HydrophobicContact CE-CB 4.23Å; M154-E439 HydrophobicContact CE-CG 3.59Å; M154-E439 WeakPolarHBondContact CE-OE1 3.39Å; R162-E439 IonicContact NH1-OE1 2.72Å
440	L	94.1	Very high	93.8	Very high	25 Å²	25	45.6 Å²	45.6	13%	0.131	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-26.2	173.4	-175.3	57.5	0	0	0	113.9	H438 H447 G448 L480	H438-L440 WeakPolarHBondContact CE1-CB 3.46Å; H438-L440 VanDerWaalsContact ND1-CB 3.3Å; H438-L440 WeakPolarHBondContact ND1-CB 3.49Å; H438-L440 PolarHBondContact ND1-N 3.08Å; H438-L440 VanDerWaalsContact ND1-N 3.19Å; H438-L440 PolarHBondContact O-N 3.08Å; L440-H447 WeakPolarHBondContact CD1-CE1 3.36Å; L440-G448 VanDerWaalsContact O-CA 3.24Å; L440-G448 WeakPolarHBondContact O-CA 3.25Å; L440-G448 PolarHBondContact O-N 3.06Å; L440-L480 HydrophobicContact CD2-CB 4.24Å
441	F	95.1	Very high	94	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.009	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120	-6.7	-169.4	-57	-66.3	0	0	0	114	F435 H438 E443 G448 Q449 L452 A477 L480 M481	F435-F441 HydrophobicContact CB-CD2 4.2Å; H438-F441 HydrophobicContact CB-CD2 4.25Å; H438-F441 AromaticContact ND1-CD2 3.59Å; H438-F441 AromaticContact ND1-CE2 3.93Å; H438-F441 PolarHBondContact O-N 3.09Å; F441-E443 PolarHBondContact O-N 2.86Å; F441-G448 VanDerWaalsContact CE1-O 3.32Å; F441-G448 WeakPolarHBondContact CE1-O 3.34Å; F441-Q449 PolarHBondContact O-NE2 3.35Å; F441-L452 HydrophobicContact CD1-CD2 4.4Å; F441-L452 HydrophobicContact CE1-CB 4.13Å; F441-L452 HydrophobicContact CE1-CD2 4.16Å; F441-A477 HydrophobicContact CE1-CB 4.38Å; F441-A477 HydrophobicContact CE2-CB 4.02Å; F441-A477 HydrophobicContact CZ-CB 3.8Å; F441-L480 HydrophobicContact CE1-CD1 4.44Å; F441-L480 HydrophobicContact CZ-CB 4.1Å; F441-L480 HydrophobicContact CZ-CD1 4.46Å; F441-M481 HydrophobicContact CD2-CE 3.88Å; F441-M481 HydrophobicContact CE2-CE 3.53Å; F441-M481 HydrophobicContact CE2-CG 3.92Å
442	S	91.9	Very high	94.1	Very high	60 Å²	60	45.2 Å²	45.2	42%	0.42	24%	0.235	S	C	.	.	S	Bend	trans	-72.8	-21	-176.8	57	0	0	0	0	114.9	P436 H438	P436-S442 VanDerWaalsContact O-CA 3.3Å; P436-S442 WeakPolarHBondContact O-CA 3.42Å; P436-S442 VanDerWaalsContact O-CB 3.23Å; P436-S442 WeakPolarHBondContact O-CB 3.4Å; H438-S442 WeakPolarHBondContact O-CB 3.46Å; H438-S442 PolarHBondContact O-N 3.32Å; H438-S442 PolarHBondContact O-OG 2.74Å
443	E	92	Very high	94.5	Very high	127 Å²	127	43.4 Å²	43.4	59%	0.593	22%	0.223	S	C	*	.	S	Bend	trans	-88	120.8	173.1	-178.4	178.6	-138.6	0	0	109.7	F441 G445 G446 Q449	F441-E443 PolarHBondContact O-N 2.86Å; E443-G445 PolarHBondContact O-N 3.07Å; E443-G446 WeakPolarHBondContact O-CA 3.43Å; E443-G446 PolarHBondContact O-N 3.19Å; E443-G446 WeakPolarHBondContact OE2-CA 3.45Å; E443-Q449 PolarHBondContact O-NE2 2.84Å
444	K	92	Very high	94.7	Very high	151 Å²	151	42.9 Å²	42.9	66%	0.657	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73	122.5	179.9	-178.2	166.7	-179	130.6	0	111.1	D432 G446	D432-K444 WeakPolarHBondContact OD1-CE 3.39Å; D432-K444 IonicContact OD1-NZ 3.83Å; D432-K444 PolarHBondContact OD1-NZ 3.2Å; D432-K444 IonicContact OD2-NZ 3.98Å; D432-K444 PolarHBondContact OD2-NZ 3.04Å; K444-G446 PolarHBondContact O-N 3.05Å
445	G	91.8	Very high	94.9	Very high	45 Å²	45	42.6 Å²	42.6	46%	0.464	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	10.3	-166.6	0	0	0	0	0	113.4	E443	E443-G445 PolarHBondContact O-N 3.07Å
446	G	94.3	Very high	95.2	Very high	5 Å²	5	42.2 Å²	42.2	5%	0.052	22%	0.222	C	C	.	.			trans	-71	163.4	173.6	0	0	0	0	0	111.9	E443 K444 G448 Q449 E450	E443-G446 WeakPolarHBondContact O-CA 3.43Å; E443-G446 PolarHBondContact O-N 3.19Å; E443-G446 WeakPolarHBondContact OE2-CA 3.45Å; K444-G446 PolarHBondContact O-N 3.05Å; G446-G448 PolarHBondContact O-N 3.34Å; G446-Q449 PolarHBondContact O-N 3.2Å; G446-E450 PolarHBondContact O-N 3.24Å; G446-E450 VanDerWaalsContact O-N 3.16Å
447	H	95.3	Very high	95.4	Very high	80 Å²	80	40.6 Å²	40.6	37%	0.37	21%	0.209	S	C	.	.	H	α-helix	trans	-57.6	-30.7	-166	70.6	86.9	0	0	0	114.9	S151 L440 S451	S151-H447 PolarHBondContact OG-CE1 2.87Å; S151-H447 PolarHBondContact OG-ND1 3.1Å; L440-H447 WeakPolarHBondContact CD1-CE1 3.36Å; H447-S451 WeakPolarHBondContact O-CB 3.42Å; H447-S451 PolarHBondContact O-N 3.49Å; H447-S451 PolarHBondContact O-OG 3.13Å
448	G	95.4	Very high	95.6	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-75.1	-32.2	175.8	0	0	0	0	0	114.1	L440 F441 G446 L452	L440-G448 VanDerWaalsContact O-CA 3.24Å; L440-G448 WeakPolarHBondContact O-CA 3.25Å; L440-G448 PolarHBondContact O-N 3.06Å; F441-G448 VanDerWaalsContact CE1-O 3.32Å; F441-G448 WeakPolarHBondContact CE1-O 3.34Å; G446-G448 PolarHBondContact O-N 3.34Å; G448-L452 VanDerWaalsContact O-CB 3.31Å; G448-L452 WeakPolarHBondContact O-CB 3.45Å; G448-L452 PolarHBondContact O-N 2.96Å
449	Q	96.4	Very high	95.8	Very high	10 Å²	10	35.4 Å²	35.4	5%	0.047	19%	0.186	C	C	.	.	H	α-helix	trans	-67	-40.5	171.5	-65.4	-165.3	-5.7	0	0	110.8	I431 F441 E443 G446 L452 Y453	I431-Q449 HydrophobicContact CD1-CB 4.46Å; F441-Q449 PolarHBondContact O-NE2 3.35Å; E443-Q449 PolarHBondContact O-NE2 2.84Å; G446-Q449 PolarHBondContact O-N 3.2Å; Q449-L452 PolarHBondContact O-N 2.85Å; Q449-Y453 WeakPolarHBondContact O-CB 3.27Å; Q449-Y453 PolarHBondContact O-N 2.94Å
450	E	97	Very high	95.9	Very high	91 Å²	91	33.6 Å²	33.6	43%	0.425	18%	0.178	S	C	.	.	H	α-helix	trans	-66.4	-41.2	175	-67.5	-58	126.6	0	0	112.6	G446 L452 Y453 T454	G446-E450 PolarHBondContact O-N 3.24Å; G446-E450 VanDerWaalsContact O-N 3.16Å; E450-L452 VanDerWaalsContact C-N 3.35Å; E450-L452 PolarHBondContact O-N 3.49Å; E450-Y453 PolarHBondContact O-N 3.03Å; E450-T454 VanDerWaalsContact O-CB 3.27Å; E450-T454 WeakPolarHBondContact O-CB 3.44Å; E450-T454 PolarHBondContact O-N 2.97Å; E450-T454 PolarHBondContact O-OG1 3.22Å
451	S	97.4	Very high	96	Very high	12 Å²	12	33.6 Å²	33.6	8%	0.084	18%	0.178	C	C	.	.	H	α-helix	trans	-62	-39.8	171.6	-77.4	0	0	0	0	112.4	H447 T454 L455 E485	H447-S451 WeakPolarHBondContact O-CB 3.42Å; H447-S451 PolarHBondContact O-N 3.49Å; H447-S451 PolarHBondContact O-OG 3.13Å; S451-T454 PolarHBondContact O-N 3.37Å; S451-L455 VanDerWaalsContact O-CB 3.25Å; S451-L455 WeakPolarHBondContact O-CB 3.25Å; S451-L455 PolarHBondContact O-N 3.39Å; S451-E485 WeakPolarHBondContact CA-OE2 3.42Å; S451-E485 WeakPolarHBondContact CB-OE2 3.49Å; S451-E485 PolarHBondContact OG-OE2 3.32Å
452	L	98.1	Very high	96	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-67.5	-44	176.9	-178.9	60.7	0	0	0	111.9	I431 Q434 F441 G448 Q449 E450 L456 A476 A477 L480	I431-L452 HydrophobicContact CB-CD2 4.23Å; I431-L452 HydrophobicContact CG2-CB 4.29Å; I431-L452 HydrophobicContact CG2-CD2 3.79Å; I431-L452 HydrophobicContact CG2-CG 3.82Å; Q434-L452 HydrophobicContact CB-CD2 4.1Å; Q434-L452 HydrophobicContact CG-CD2 4.15Å; F441-L452 HydrophobicContact CD1-CD2 4.4Å; F441-L452 HydrophobicContact CE1-CB 4.13Å; F441-L452 HydrophobicContact CE1-CD2 4.16Å; G448-L452 VanDerWaalsContact O-CB 3.31Å; G448-L452 WeakPolarHBondContact O-CB 3.45Å; G448-L452 PolarHBondContact O-N 2.96Å; Q449-L452 PolarHBondContact O-N 2.85Å; E450-L452 VanDerWaalsContact C-N 3.35Å; E450-L452 PolarHBondContact O-N 3.49Å; L452-L456 HydrophobicContact CD1-CD1 3.81Å; L452-L456 HydrophobicContact CD1-CG 4.23Å; L452-L456 HydrophobicContact CG-CD1 3.98Å; L452-L456 WeakPolarHBondContact O-CB 3.37Å; L452-L456 WeakPolarHBondContact O-CD1 3.43Å; L452-L456 VanDerWaalsContact O-CG 3.25Å; L452-L456 WeakPolarHBondContact O-CG 3.25Å; L452-L456 PolarHBondContact O-N 2.93Å; L452-L456 VanDerWaalsContact O-N 3.09Å; L452-A476 HydrophobicContact CD1-CB 3.61Å; L452-A477 HydrophobicContact CD1-CB 4Å; L452-A477 HydrophobicContact CD2-CB 4Å; L452-L480 HydrophobicContact CB-CD1 3.85Å; L452-L480 HydrophobicContact CD1-CD1 4.03Å
453	Y	98.2	Very high	96.1	Very high	32 Å²	32	33 Å²	33	13%	0.125	17%	0.167	C	C	.	.	H	α-helix	trans	-59.6	-46.5	173.2	174.4	-96.9	0	0	0	111.3	C424 I427 R428 Q449 E450 L456 K457	C424-Y453 HydrophobicContact CB-CE2 4.37Å; I427-Y453 HydrophobicContact CB-CD2 4.25Å; I427-Y453 HydrophobicContact CB-CE2 4.49Å; I427-Y453 HydrophobicContact CG2-CD2 3.64Å; I427-Y453 HydrophobicContact CG2-CE2 4.33Å; I427-Y453 HydrophobicContact CG2-CG 4.43Å; R428-Y453 HydrophobicContact CG-CD2 4.12Å; R428-Y453 HydrophobicContact CG-CE2 3.85Å; R428-Y453 PolarHBondContact NH2-OH 3.12Å; Q449-Y453 WeakPolarHBondContact O-CB 3.27Å; Q449-Y453 PolarHBondContact O-N 2.94Å; E450-Y453 PolarHBondContact O-N 3.03Å; Y453-L456 PolarHBondContact O-N 3.16Å; Y453-K457 HydrophobicContact CE1-CD 4.28Å; Y453-K457 WeakPolarHBondContact O-CB 3.29Å; Y453-K457 PolarHBondContact O-N 2.95Å
454	T	98	Very high	96.1	Very high	31 Å²	31	31.8 Å²	31.8	19%	0.19	17%	0.169	C	C	.	.	H	α-helix	trans	-64.7	-46.6	-177.6	-58.8	0	0	0	0	111.7	C415 E450 S451 K457 A458	C415-T454 HydrophobicContact CB-CG2 4.08Å; C415-T454 VanDerWaalsContact SG-CG2 3.57Å; E450-T454 VanDerWaalsContact O-CB 3.27Å; E450-T454 WeakPolarHBondContact O-CB 3.44Å; E450-T454 PolarHBondContact O-N 2.97Å; E450-T454 PolarHBondContact O-OG1 3.22Å; S451-T454 PolarHBondContact O-N 3.37Å; T454-K457 PolarHBondContact O-N 3.32Å; T454-A458 VanDerWaalsContact O-CB 3.27Å; T454-A458 WeakPolarHBondContact O-CB 3.47Å; T454-A458 PolarHBondContact O-N 2.95Å
455	L	98.2	Very high	96	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-58.4	-49.4	176.1	-175.8	169	0	0	0	111.4	S451 A458 Y459 A476 L480 A488 F489 F492	S451-L455 VanDerWaalsContact O-CB 3.25Å; S451-L455 WeakPolarHBondContact O-CB 3.25Å; S451-L455 PolarHBondContact O-N 3.39Å; L455-A458 PolarHBondContact O-N 3.08Å; L455-Y459 PolarHBondContact O-N 3.47Å; L455-A476 HydrophobicContact CD1-CB 4.2Å; L455-A476 HydrophobicContact CD2-CB 3.66Å; L455-L480 HydrophobicContact CD1-CD1 4.1Å; L455-L480 HydrophobicContact CD1-CD2 4.11Å; L455-L480 HydrophobicContact CD1-CG 3.96Å; L455-A488 HydrophobicContact CD1-CB 3.59Å; L455-F489 HydrophobicContact CG-CB 4.04Å; L455-F489 HydrophobicContact CG-CD2 4.42Å; L455-F492 HydrophobicContact CD2-CB 4.23Å; L455-F492 HydrophobicContact CD2-CD1 3.61Å; L455-F492 HydrophobicContact CD2-CE1 4.21Å; L455-F492 HydrophobicContact CD2-CG 4.01Å
456	L	98.4	Very high	96	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-68.1	-41.6	-179.1	-68.5	169.8	0	0	0	111.7	I427 L452 Y453 A458 Y459 T460 Y468 Q472 A473 A476 F492	I427-L456 HydrophobicContact CD1-CB 3.95Å; I427-L456 HydrophobicContact CG1-CB 4.15Å; I427-L456 HydrophobicContact CG2-CB 3.92Å; I427-L456 HydrophobicContact CG2-CD1 3.9Å; L452-L456 HydrophobicContact CD1-CD1 3.81Å; L452-L456 HydrophobicContact CD1-CG 4.23Å; L452-L456 HydrophobicContact CG-CD1 3.98Å; L452-L456 WeakPolarHBondContact O-CB 3.37Å; L452-L456 WeakPolarHBondContact O-CD1 3.43Å; L452-L456 VanDerWaalsContact O-CG 3.25Å; L452-L456 WeakPolarHBondContact O-CG 3.25Å; L452-L456 PolarHBondContact O-N 2.93Å; L452-L456 VanDerWaalsContact O-N 3.09Å; Y453-L456 PolarHBondContact O-N 3.16Å; L456-A458 PolarHBondContact O-N 3.12Å; L456-Y459 WeakPolarHBondContact O-CB 3.46Å; L456-Y459 PolarHBondContact O-N 3.02Å; L456-T460 WeakPolarHBondContact O-CG2 3.26Å; L456-T460 PolarHBondContact O-N 3.25Å; L456-T460 VanDerWaalsContact O-N 3.1Å; L456-Y468 HydrophobicContact CD1-CE2 4.08Å; L456-Y468 HydrophobicContact CD2-CD2 4.43Å; L456-Y468 HydrophobicContact CD2-CE2 4.09Å; L456-Q472 HydrophobicContact CD2-CB 4.22Å; L456-A473 HydrophobicContact CD1-CB 3.62Å; L456-A476 HydrophobicContact CD2-CB 3.82Å; L456-A476 HydrophobicContact CG-CB 4.24Å; L456-F492 HydrophobicContact CD2-CE1 4.11Å; L456-F492 HydrophobicContact CD2-CZ 4.02Å
457	K	98.2	Very high	95.9	Very high	26 Å²	26	30.8 Å²	30.8	11%	0.113	15%	0.154	C	C	.	.	H	α-helix	trans	-58.6	-49.1	174.4	-171.2	-159.4	65.4	160.6	0	110.5	C415 Q417 Y453 T454 Y459 T460 I461	C415-K457 PolarHBondContact O-NZ 3.47Å; Q417-K457 PolarHBondContact O-NZ 3.26Å; Y453-K457 HydrophobicContact CE1-CD 4.28Å; Y453-K457 WeakPolarHBondContact O-CB 3.29Å; Y453-K457 PolarHBondContact O-N 2.95Å; T454-K457 PolarHBondContact O-N 3.32Å; K457-Y459 VanDerWaalsContact C-N 3.26Å; K457-Y459 PolarHBondContact O-N 3.16Å; K457-T460 PolarHBondContact O-N 3.15Å; K457-T460 VanDerWaalsContact O-N 3.07Å; K457-T460 PolarHBondContact O-OG1 3.01Å; K457-I461 HydrophobicContact CD-CD1 4.08Å; K457-I461 HydrophobicContact CG-CD1 3.85Å; K457-I461 WeakPolarHBondContact O-CG1 3.28Å; K457-I461 PolarHBondContact O-N 2.98Å
458	A	98	Very high	96	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-58.7	-36	177.3	0	0	0	0	0	112.4	Y411 T454 L455 L456 I461 R462 F489	Y411-A458 HydrophobicContact CD2-CB 4.18Å; Y411-A458 HydrophobicContact CE2-CB 3.68Å; T454-A458 VanDerWaalsContact O-CB 3.27Å; T454-A458 WeakPolarHBondContact O-CB 3.47Å; T454-A458 PolarHBondContact O-N 2.95Å; L455-A458 PolarHBondContact O-N 3.08Å; L456-A458 PolarHBondContact O-N 3.12Å; A458-I461 PolarHBondContact O-N 3.28Å; A458-R462 PolarHBondContact O-N 2.83Å; A458-F489 HydrophobicContact CB-CD2 4.12Å; A458-F489 HydrophobicContact CB-CE2 3.78Å; A458-F489 HydrophobicContact CB-CZ 4.47Å
459	Y	97.4	Very high	96	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.008	15%	0.145	C	C	.	.	H	α-helix	trans	-63.6	-45.2	173.5	179.2	-88.7	0	0	0	111.3	L455 L456 K457 I461 R462 H463 F492 N493 C496	L455-Y459 PolarHBondContact O-N 3.47Å; L456-Y459 WeakPolarHBondContact O-CB 3.46Å; L456-Y459 PolarHBondContact O-N 3.02Å; K457-Y459 VanDerWaalsContact C-N 3.26Å; K457-Y459 PolarHBondContact O-N 3.16Å; Y459-I461 PolarHBondContact O-N 3.17Å; Y459-R462 PolarHBondContact O-N 3.27Å; Y459-H463 AromaticContact CD2-CD2 3.76Å; Y459-H463 HydrophobicContact CE1-CB 4.18Å; Y459-H463 AromaticContact CE2-CD2 3.42Å; Y459-H463 VanDerWaalsContact CE2-CD2 3.42Å; Y459-H463 WeakPolarHBondContact CE2-CD2 3.47Å; Y459-H463 AromaticContact CZ-CD2 3.67Å; Y459-H463 WeakPolarHBondContact O-CB 3.39Å; Y459-H463 PolarHBondContact O-N 3.01Å; Y459-F492 HydrophobicContact CD1-CE1 4.13Å; Y459-F492 AromaticContact CD2-CD1 3.82Å; Y459-F492 HydrophobicContact CD2-CD1 3.82Å; Y459-F492 AromaticContact CD2-CE1 3.52Å; Y459-F492 HydrophobicContact CD2-CE1 3.52Å; Y459-F492 HydrophobicContact CE2-CD1 4.48Å; Y459-F492 HydrophobicContact CE2-CE1 4.08Å; Y459-F492 HydrophobicContact CG-CD1 4.18Å; Y459-F492 AromaticContact CG-CE1 3.55Å; Y459-F492 HydrophobicContact CG-CE1 3.55Å; Y459-N493 WeakPolarHBondContact CD2-OD1 3.38Å; Y459-C496 HydrophobicContact CE2-CB 3.91Å; Y459-C496 WeakPolarHBondContact OH-CB 3.45Å
460	T	96.9	Very high	95.7	Very high	5 Å²	5	30.5 Å²	30.5	3%	0.031	16%	0.155	C	C	.	.	H	α-helix	trans	-65.7	-23.3	177	72	0	0	0	0	114.1	N423 I427 L456 K457 H463 P464 G467	N423-T460 HydrophobicContact CB-CG2 4.11Å; I427-T460 HydrophobicContact CD1-CG2 4.19Å; L456-T460 WeakPolarHBondContact O-CG2 3.26Å; L456-T460 PolarHBondContact O-N 3.25Å; L456-T460 VanDerWaalsContact O-N 3.1Å; K457-T460 PolarHBondContact O-N 3.15Å; K457-T460 VanDerWaalsContact O-N 3.07Å; K457-T460 PolarHBondContact O-OG1 3.01Å; T460-H463 CarbonylContact O-C 3.33Å; T460-P464 WeakPolarHBondContact O-CA 3.32Å; T460-G467 VanDerWaalsContact CG2-C 3.44Å
461	I	96.9	Very high	95.5	Very high	26 Å²	26	26.3 Å²	26.3	13%	0.133	14%	0.135	C	C	.	.	H	α-helix	trans	-81	-35.2	176.4	-70	162.1	0	0	0	110.9	Y414 Q417 K457 A458 Y459	Y414-I461 HydrophobicContact CD1-CG2 3.95Å; Y414-I461 VanDerWaalsContact O-CD1 3.31Å; Y414-I461 WeakPolarHBondContact O-CD1 3.47Å; Q417-I461 HydrophobicContact CB-CD1 4Å; Q417-I461 HydrophobicContact CB-CG2 3.96Å; Q417-I461 HydrophobicContact CG-CG2 4.41Å; Q417-I461 WeakPolarHBondContact O-CD1 3.43Å; K457-I461 HydrophobicContact CD-CD1 4.08Å; K457-I461 HydrophobicContact CG-CD1 3.85Å; K457-I461 WeakPolarHBondContact O-CG1 3.28Å; K457-I461 PolarHBondContact O-N 2.98Å; A458-I461 PolarHBondContact O-N 3.28Å; Y459-I461 PolarHBondContact O-N 3.17Å
462	R	94.4	Very high	95.5	Very high	38 Å²	38	25.8 Å²	25.8	14%	0.143	13%	0.132	C	C	.	.	H	α-helix	trans	-72.1	-33.2	170.3	-179.6	179.7	155.8	86.8	1.5	112.3	L399 Y414 A458 Y459 P464 N493 E497	L399-R462 PolarHBondContact O-NH2 3.05Å; Y414-R462 HydrophobicContact CD2-CB 4.37Å; Y414-R462 HydrophobicContact CE1-CB 4.18Å; Y414-R462 HydrophobicContact CE2-CB 3.94Å; Y414-R462 HydrophobicContact CE2-CG 4.1Å; A458-R462 PolarHBondContact O-N 2.83Å; Y459-R462 PolarHBondContact O-N 3.27Å; R462-P464 VanDerWaalsContact C-CD 3.41Å; R462-P464 WeakPolarHBondContact O-CD 3.27Å; R462-N493 VanDerWaalsContact CD-OD1 3.29Å; R462-N493 WeakPolarHBondContact CD-OD1 3.4Å; R462-N493 PolarHBondContact NE-OD1 2.86Å; R462-E497 IonicContact CZ-OE1 2.74Å; R462-E497 IonicContact NE-OE1 3.16Å; R462-E497 IonicContact NH2-OE1 3.25Å; R462-E497 PolarHBondContact NH2-OE1 3.3Å; R462-E497 IonicContact NH2-OE2 2.62Å; R462-E497 PolarHBondContact NH2-OE2 2.81Å
463	H	93.1	Very high	95.5	Very high	11 Å²	11	25.8 Å²	25.8	5%	0.051	13%	0.132	C	C	.	.			trans	-122.4	63.8	-176.9	-64.3	-66.5	0	0	0	112.6	Y459 T460 E465 K466 G467 E497	Y459-H463 AromaticContact CD2-CD2 3.76Å; Y459-H463 HydrophobicContact CE1-CB 4.18Å; Y459-H463 AromaticContact CE2-CD2 3.42Å; Y459-H463 VanDerWaalsContact CE2-CD2 3.42Å; Y459-H463 WeakPolarHBondContact CE2-CD2 3.47Å; Y459-H463 AromaticContact CZ-CD2 3.67Å; Y459-H463 WeakPolarHBondContact O-CB 3.39Å; Y459-H463 PolarHBondContact O-N 3.01Å; T460-H463 CarbonylContact O-C 3.33Å; H463-E465 WeakPolarHBondContact CA-OE2 3.44Å; H463-E465 IonicContact CG-OE1 3.66Å; H463-E465 IonicContact ND1-OE1 3.85Å; H463-E465 PolarHBondContact ND1-OE1 3.19Å; H463-E465 PolarHBondContact O-N 3.07Å; H463-K466 HydrophobicContact CB-CB 4.35Å; H463-K466 PolarHBondContact O-N 3.11Å; H463-K466 VanDerWaalsContact O-N 3.08Å; H463-G467 PolarHBondContact O-N 3.42Å; H463-E497 IonicContact CE1-OE1 3.84Å; H463-E497 PolarHBondContact CE1-OE1 3.43Å; H463-E497 IonicContact NE2-OE1 3.2Å; H463-E497 PolarHBondContact NE2-OE1 3.4Å
464	P	92.6	Very high	95.4	Very high	101 Å²	101	24.4 Å²	24.4	66%	0.656	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-20.5	179.4	29.4	-36.5	0	0	0	112.8	T460 R462 K466	T460-P464 WeakPolarHBondContact O-CA 3.32Å; R462-P464 VanDerWaalsContact C-CD 3.41Å; R462-P464 WeakPolarHBondContact O-CD 3.27Å; P464-K466 VanDerWaalsContact C-N 3.31Å
465	E	90.8	Very high	95.4	Very high	112 Å²	112	22.9 Å²	22.9	52%	0.523	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-12.8	176.6	82.8	-64.1	167.3	0	0	114	H463	H463-E465 WeakPolarHBondContact CA-OE2 3.44Å; H463-E465 IonicContact CG-OE1 3.66Å; H463-E465 IonicContact ND1-OE1 3.85Å; H463-E465 PolarHBondContact ND1-OE1 3.19Å; H463-E465 PolarHBondContact O-N 3.07Å
466	K	90.5	Very high	95.4	Very high	62 Å²	62	22.9 Å²	22.9	27%	0.27	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.2	-27.4	178.6	-65.9	173	-172.5	113.9	0	113.4	H463 P464 D505	H463-K466 HydrophobicContact CB-CB 4.35Å; H463-K466 PolarHBondContact O-N 3.11Å; H463-K466 VanDerWaalsContact O-N 3.08Å; P464-K466 VanDerWaalsContact C-N 3.31Å; K466-D505 WeakPolarHBondContact CD-OD1 3.41Å; K466-D505 VanDerWaalsContact CE-OD1 3.27Å; K466-D505 WeakPolarHBondContact CE-OD1 3.44Å
467	G	93	Very high	95.4	Very high	6 Å²	6	22.9 Å²	22.9	6%	0.062	12%	0.117	C	C	.	.			trans	58.9	-148.6	-177.1	0	0	0	0	0	113.4	N423 T460 H463	N423-G467 WeakPolarHBondContact ND2-CA 3.45Å; T460-G467 VanDerWaalsContact CG2-C 3.44Å; H463-G467 PolarHBondContact O-N 3.42Å
468	Y	96.6	Very high	95.3	Very high	12 Å²	12	21.7 Å²	21.7	5%	0.047	11%	0.112	C	C	.	.			trans	-98.3	137.6	173.4	177.3	-101.9	0	0	0	110.8	N423 Q426 I427 D430 L456 Q472 A473	N423-Y468 PolarHBondContact OD1-N 3.34Å; Q426-Y468 HydrophobicContact CB-CD1 3.74Å; Q426-Y468 HydrophobicContact CB-CE1 4.29Å; I427-Y468 HydrophobicContact CD1-CD2 4.27Å; I427-Y468 HydrophobicContact CD1-CG 4.31Å; I427-Y468 HydrophobicContact CG1-CD1 4.09Å; I427-Y468 HydrophobicContact CG1-CD2 3.59Å; I427-Y468 HydrophobicContact CG1-CE2 4.11Å; I427-Y468 HydrophobicContact CG1-CG 3.58Å; D430-Y468 HydrophobicContact CB-CE1 4.26Å; D430-Y468 WeakPolarHBondContact CB-OH 3.31Å; D430-Y468 WeakPolarHBondContact OD2-CE1 3.08Å; D430-Y468 PolarHBondContact OD2-OH 2.71Å; L456-Y468 HydrophobicContact CD1-CE2 4.08Å; L456-Y468 HydrophobicContact CD2-CD2 4.43Å; L456-Y468 HydrophobicContact CD2-CE2 4.09Å; Y468-Q472 HydrophobicContact CD2-CB 4.37Å; Y468-Q472 VanDerWaalsContact CD2-OE1 3.24Å; Y468-Q472 HydrophobicContact CE2-CB 3.83Å; Y468-A473 HydrophobicContact CE2-CB 4.38Å; Y468-A473 VanDerWaalsContact OH-CB 3.3Å; Y468-A473 WeakPolarHBondContact OH-CB 3.39Å
469	C	95.4	Very high	95.3	Very high	19 Å²	19	21.7 Å²	21.7	13%	0.128	11%	0.112	C	C	.	.			trans	-128	131.1	177.8	-172.9	0	0	0	0	111.2	G471 Q472 Y504	C469-G471 PolarHBondContact O-N 3.48Å; C469-Q472 HydrophobicContact CB-CG 4.44Å; C469-Q472 VanDerWaalsContact O-CB 3.3Å; C469-Q472 WeakPolarHBondContact O-CB 3.43Å; C469-Q472 VanDerWaalsContact O-CG 3.31Å; C469-Q472 WeakPolarHBondContact O-CG 3.38Å; C469-Q472 PolarHBondContact O-N 2.79Å; C469-Q472 VanDerWaalsContact O-N 3.1Å; C469-Y504 HydrophobicContact CB-CD1 3.87Å; C469-Y504 HydrophobicContact CB-CG 4.23Å
470	Q	91.1	Very high	95.3	Very high	55 Å²	55	22 Å²	22	26%	0.257	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	123.2	-178.8	-178.3	170.4	-13	0	0	111.2	F273	F273-Q470 HydrophobicContact CD1-CG 4.12Å; F273-Q470 PolarHBondContact O-NE2 3.04Å
471	G	92.2	Very high	95.3	Very high	2 Å²	2	22.7 Å²	22.7	2%	0.021	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	121.7	-20.3	-171.2	0	0	0	0	0	112.6	C469 P474	C469-G471 PolarHBondContact O-N 3.48Å; G471-P474 WeakPolarHBondContact O-CD 3.47Å
472	Q	97.2	Very high	95.1	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-68.1	-46.3	173	-75.7	174.9	-12.4	0	0	113.4	L456 Y468 C469 L475 A476 F492 Y504	L456-Q472 HydrophobicContact CD2-CB 4.22Å; Y468-Q472 HydrophobicContact CD2-CB 4.37Å; Y468-Q472 VanDerWaalsContact CD2-OE1 3.24Å; Y468-Q472 HydrophobicContact CE2-CB 3.83Å; C469-Q472 HydrophobicContact CB-CG 4.44Å; C469-Q472 VanDerWaalsContact O-CB 3.3Å; C469-Q472 WeakPolarHBondContact O-CB 3.43Å; C469-Q472 VanDerWaalsContact O-CG 3.31Å; C469-Q472 WeakPolarHBondContact O-CG 3.38Å; C469-Q472 PolarHBondContact O-N 2.79Å; C469-Q472 VanDerWaalsContact O-N 3.1Å; Q472-L475 WeakPolarHBondContact O-CB 3.28Å; Q472-L475 PolarHBondContact O-N 3.09Å; Q472-A476 PolarHBondContact O-N 3.08Å; Q472-F492 HydrophobicContact CB-CE2 4.19Å; Q472-F492 HydrophobicContact CB-CZ 3.75Å; Q472-F492 HydrophobicContact CG-CE2 4.45Å; Q472-F492 HydrophobicContact CG-CZ 3.89Å; Q472-Y504 HydrophobicContact CG-CD1 3.71Å; Q472-Y504 HydrophobicContact CG-CD2 4.38Å; Q472-Y504 HydrophobicContact CG-CE1 3.82Å; Q472-Y504 HydrophobicContact CG-CE2 4.48Å; Q472-Y504 HydrophobicContact CG-CG 4.02Å
473	A	97.7	Very high	95.1	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-57.4	-40.1	-175.4	0	0	0	0	0	115.2	D430 Q434 L456 Y468 L475 A476 A477	D430-A473 HydrophobicContact CB-CB 4.39Å; Q434-A473 HydrophobicContact CG-CB 3.72Å; L456-A473 HydrophobicContact CD1-CB 3.62Å; Y468-A473 HydrophobicContact CE2-CB 4.38Å; Y468-A473 VanDerWaalsContact OH-CB 3.3Å; Y468-A473 WeakPolarHBondContact OH-CB 3.39Å; A473-L475 VanDerWaalsContact C-N 3.3Å; A473-L475 PolarHBondContact O-N 2.7Å; A473-A476 PolarHBondContact O-N 2.94Å; A473-A477 VanDerWaalsContact O-CB 3.28Å; A473-A477 WeakPolarHBondContact O-CB 3.5Å; A473-A477 PolarHBondContact O-N 3.27Å
474	P	96.9	Very high	95.2	Very high	3 Å²	3	22.3 Å²	22.3	2%	0.019	12%	0.12	C	C	.	.	H	α-helix	trans	-52.5	-43.6	169.2	-25.9	29.2	0	0	0	113.9	G471 V478 C550 T553 R554	G471-P474 WeakPolarHBondContact O-CD 3.47Å; P474-V478 VanDerWaalsContact O-CG2 3.26Å; P474-V478 WeakPolarHBondContact O-CG2 3.49Å; P474-V478 PolarHBondContact O-N 2.77Å; P474-V478 VanDerWaalsContact O-N 3.08Å; P474-C550 HydrophobicContact CB-CB 4.39Å; P474-C550 HydrophobicContact CG-CB 4.47Å; P474-T553 WeakPolarHBondContact CB-OG1 3.44Å; P474-R554 HydrophobicContact CB-CG 4.3Å; P474-R554 HydrophobicContact CG-CG 4.17Å
475	L	97.8	Very high	95.4	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-68	-47.5	-177.9	-54.2	-177.5	0	0	0	111.5	Q472 A473 A477 V478 L479 F492 I495 L500 Y504 A551 T553 W565	Q472-L475 WeakPolarHBondContact O-CB 3.28Å; Q472-L475 PolarHBondContact O-N 3.09Å; A473-L475 VanDerWaalsContact C-N 3.3Å; A473-L475 PolarHBondContact O-N 2.7Å; L475-A477 VanDerWaalsContact C-N 3.33Å; L475-A477 PolarHBondContact O-N 3.07Å; L475-V478 PolarHBondContact O-N 3.02Å; L475-L479 WeakPolarHBondContact O-CG 3.49Å; L475-L479 PolarHBondContact O-N 3.31Å; L475-L479 VanDerWaalsContact O-N 3.12Å; L475-F492 HydrophobicContact CB-CD2 4.12Å; L475-F492 HydrophobicContact CB-CE2 4.04Å; L475-F492 HydrophobicContact CD1-CE2 4.45Å; L475-I495 HydrophobicContact CD1-CG2 4.04Å; L475-L500 HydrophobicContact CD1-CD1 3.88Å; L475-Y504 WeakPolarHBondContact CD1-OH 3.4Å; L475-A551 HydrophobicContact CD2-CB 3.74Å; L475-T553 HydrophobicContact CD2-CG2 4.28Å; L475-W565 HydrophobicContact CB-CH2 4.29Å; L475-W565 HydrophobicContact CD2-CH2 4.09Å; L475-W565 HydrophobicContact CD2-CZ2 3.6Å
476	A	98.4	Very high	95.6	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-61.4	-41.5	177.6	0	0	0	0	0	111.8	L452 L455 L456 Q472 A473 L479 L480 F492	L452-A476 HydrophobicContact CD1-CB 3.61Å; L455-A476 HydrophobicContact CD1-CB 4.2Å; L455-A476 HydrophobicContact CD2-CB 3.66Å; L456-A476 HydrophobicContact CD2-CB 3.82Å; L456-A476 HydrophobicContact CG-CB 4.24Å; Q472-A476 PolarHBondContact O-N 3.08Å; A473-A476 PolarHBondContact O-N 2.94Å; A476-L479 PolarHBondContact O-N 2.8Å; A476-L480 WeakPolarHBondContact O-CG 3.38Å; A476-L480 PolarHBondContact O-N 3Å; A476-F492 HydrophobicContact CB-CD2 4.13Å; A476-F492 HydrophobicContact CB-CE2 4.32Å; A476-F492 HydrophobicContact CB-CG 4.4Å
477	A	97.8	Very high	95.8	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-64.8	-42.2	177.7	0	0	0	0	0	112.3	Q434 F435 F441 L452 A473 L475 L479 L480 M481	Q434-A477 HydrophobicContact CB-CB 4.36Å; F435-A477 HydrophobicContact CD2-CB 3.73Å; F435-A477 HydrophobicContact CE2-CB 3.84Å; F441-A477 HydrophobicContact CE1-CB 4.38Å; F441-A477 HydrophobicContact CE2-CB 4.02Å; F441-A477 HydrophobicContact CZ-CB 3.8Å; L452-A477 HydrophobicContact CD1-CB 4Å; L452-A477 HydrophobicContact CD2-CB 4Å; A473-A477 VanDerWaalsContact O-CB 3.28Å; A473-A477 WeakPolarHBondContact O-CB 3.5Å; A473-A477 PolarHBondContact O-N 3.27Å; L475-A477 VanDerWaalsContact C-N 3.33Å; L475-A477 PolarHBondContact O-N 3.07Å; A477-L479 VanDerWaalsContact C-N 3.31Å; A477-L479 PolarHBondContact O-N 3.49Å; A477-L480 PolarHBondContact O-N 2.9Å; A477-M481 WeakPolarHBondContact O-CG 3.38Å; A477-M481 PolarHBondContact O-N 3.45Å
478	V	97.2	Very high	96	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-60.5	-40.8	174.2	173	0	0	0	0	111.4	W90 F435 P474 L475 M481 F482 T553 W558 W565	W90-V478 HydrophobicContact CH2-CG1 4.5Å; F435-V478 HydrophobicContact CE2-CG2 3.92Å; F435-V478 HydrophobicContact CZ-CG2 3.8Å; P474-V478 VanDerWaalsContact O-CG2 3.26Å; P474-V478 WeakPolarHBondContact O-CG2 3.49Å; P474-V478 PolarHBondContact O-N 2.77Å; P474-V478 VanDerWaalsContact O-N 3.08Å; L475-V478 PolarHBondContact O-N 3.02Å; V478-M481 PolarHBondContact O-N 2.87Å; V478-F482 WeakPolarHBondContact O-CD2 3.42Å; V478-T553 HydrophobicContact CG2-CG2 3.67Å; V478-W558 HydrophobicContact CB-CH2 4.32Å; V478-W558 HydrophobicContact CG1-CH2 4.1Å; V478-W558 HydrophobicContact CG2-CH2 3.72Å; V478-W558 HydrophobicContact CG2-CZ3 3.83Å; V478-W565 HydrophobicContact CB-CH2 3.83Å; V478-W565 HydrophobicContact CB-CZ2 4.32Å; V478-W565 HydrophobicContact CB-CZ3 4.12Å; V478-W565 HydrophobicContact CG1-CD2 4.35Å; V478-W565 HydrophobicContact CG1-CE3 3.92Å; V478-W565 HydrophobicContact CG1-CH2 3.74Å; V478-W565 HydrophobicContact CG1-CZ2 4.17Å; V478-W565 HydrophobicContact CG1-CZ3 3.6Å
479	L	98	Very high	96.1	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-63.5	-46.2	176.8	-69	167.3	0	0	0	111.5	W90 L475 A476 A477 M481 F482 M483 A488 T491 F492 I495 W565 F569	W90-L479 HydrophobicContact CE3-CD2 4.03Å; W90-L479 HydrophobicContact CZ3-CD2 4.2Å; L475-L479 WeakPolarHBondContact O-CG 3.49Å; L475-L479 PolarHBondContact O-N 3.31Å; L475-L479 VanDerWaalsContact O-N 3.12Å; A476-L479 PolarHBondContact O-N 2.8Å; A477-L479 VanDerWaalsContact C-N 3.31Å; A477-L479 PolarHBondContact O-N 3.49Å; L479-M481 PolarHBondContact O-N 3.16Å; L479-M481 VanDerWaalsContact O-N 3.16Å; L479-F482 PolarHBondContact O-N 2.73Å; L479-M483 HydrophobicContact CB-CE 4.44Å; L479-M483 HydrophobicContact CB-SD 4.48Å; L479-M483 HydrophobicContact CD2-CE 3.54Å; L479-M483 HydrophobicContact CD2-SD 4.18Å; L479-M483 WeakPolarHBondContact O-CG 3.37Å; L479-M483 PolarHBondContact O-N 3.32Å; L479-A488 HydrophobicContact CB-CB 3.78Å; L479-T491 HydrophobicContact CD1-CG2 4.34Å; L479-T491 HydrophobicContact CD2-CG2 3.6Å; L479-F492 HydrophobicContact CD1-CB 3.65Å; L479-F492 HydrophobicContact CD1-CD2 4.47Å; L479-I495 HydrophobicContact CD1-CD1 3.94Å; L479-I495 HydrophobicContact CD2-CD1 4.49Å; L479-W565 HydrophobicContact CD2-CZ3 3.91Å; L479-W565 HydrophobicContact CG-CH2 4.48Å; L479-W565 HydrophobicContact CG-CZ3 4.03Å; L479-F569 HydrophobicContact CD2-CZ 4.48Å
480	L	97.3	Very high	96.1	Very high	10 Å²	10	10.7 Å²	10.7	5%	0.052	6%	0.056	C	C	.	.	H	α-helix	trans	-59.1	-24.7	177.6	-74.7	169.4	0	0	0	114.2	L440 F441 L452 L455 A476 A477 F482 E485 A488	L440-L480 HydrophobicContact CD2-CB 4.24Å; F441-L480 HydrophobicContact CE1-CD1 4.44Å; F441-L480 HydrophobicContact CZ-CB 4.1Å; F441-L480 HydrophobicContact CZ-CD1 4.46Å; L452-L480 HydrophobicContact CB-CD1 3.85Å; L452-L480 HydrophobicContact CD1-CD1 4.03Å; L455-L480 HydrophobicContact CD1-CD1 4.1Å; L455-L480 HydrophobicContact CD1-CD2 4.11Å; L455-L480 HydrophobicContact CD1-CG 3.96Å; A476-L480 WeakPolarHBondContact O-CG 3.38Å; A476-L480 PolarHBondContact O-N 3Å; A477-L480 PolarHBondContact O-N 2.9Å; L480-F482 VanDerWaalsContact C-N 3.3Å; L480-F482 PolarHBondContact O-N 3.18Å; L480-E485 HydrophobicContact CD2-CB 4.11Å; L480-E485 HydrophobicContact CD2-CG 4.09Å; L480-A488 HydrophobicContact CD2-CB 3.77Å; L480-A488 HydrophobicContact CG-CB 3.96Å
481	M	95.6	Very high	96.4	Very high	18 Å²	18	8.1 Å²	8.1	9%	0.089	4%	0.044	C	C	.	.	H	α-helix	trans	-70.8	-22.8	172.6	-61.3	179.2	-169.5	0	0	113.3	F28 F435 H438 F441 A477 V478 L479 W558	F28-M481 HydrophobicContact CE1-CE 4.45Å; F28-M481 HydrophobicContact CE2-SD 4.49Å; F28-M481 HydrophobicContact CZ-CE 3.91Å; F28-M481 HydrophobicContact CZ-SD 4.17Å; F435-M481 HydrophobicContact CB-CE 3.76Å; F435-M481 HydrophobicContact CD1-CE 4.24Å; F435-M481 HydrophobicContact CD2-CE 3.6Å; F435-M481 HydrophobicContact CE2-CE 4.25Å; F435-M481 HydrophobicContact CG-CE 3.59Å; H438-M481 HydrophobicContact CB-CE 4.17Å; F441-M481 HydrophobicContact CD2-CE 3.88Å; F441-M481 HydrophobicContact CE2-CE 3.53Å; F441-M481 HydrophobicContact CE2-CG 3.92Å; A477-M481 WeakPolarHBondContact O-CG 3.38Å; A477-M481 PolarHBondContact O-N 3.45Å; V478-M481 PolarHBondContact O-N 2.87Å; L479-M481 PolarHBondContact O-N 3.16Å; L479-M481 VanDerWaalsContact O-N 3.16Å; M481-W558 HydrophobicContact CE-CH2 3.97Å; M481-W558 HydrophobicContact SD-CH2 3.26Å; M481-W558 WeakPolarHBondContact SD-CH2 3.49Å; M481-W558 HydrophobicContact SD-CZ2 3.41Å; M481-W558 WeakPolarHBondContact SD-CZ2 3.05Å; M481-W558 HydrophobicContact SD-CZ3 4.33Å
482	F	94.5	Very high	96.6	Very high	23 Å²	23	8 Å²	8	10%	0.101	4%	0.043	C	C	.	.	H	α-helix	trans	-113.2	-15.8	-175.5	-72.7	-77.6	0	0	0	114.9	D83 R86 C87 W90 V155 V478 L479 L480 W558 L562	D83-F482 HydrophobicContact CB-CE1 4.42Å; R86-F482 HydrophobicContact CB-CD1 4.21Å; C87-F482 WeakPolarHBondContact CB-O 3.29Å; W90-F482 HydrophobicContact CH2-CD2 4.05Å; W90-F482 HydrophobicContact CH2-CE2 4.37Å; W90-F482 HydrophobicContact CZ3-CB 4.4Å; W90-F482 HydrophobicContact CZ3-CD2 4Å; W90-F482 HydrophobicContact CZ3-CG 4.33Å; V155-F482 VanDerWaalsContact CG1-C 3.42Å; V155-F482 WeakPolarHBondContact CG1-O 3.44Å; V478-F482 WeakPolarHBondContact O-CD2 3.42Å; L479-F482 PolarHBondContact O-N 2.73Å; L480-F482 VanDerWaalsContact C-N 3.3Å; L480-F482 PolarHBondContact O-N 3.18Å; F482-W558 HydrophobicContact CE2-CZ2 4Å; F482-L562 HydrophobicContact CD2-CD2 4.43Å; F482-L562 HydrophobicContact CE1-CD2 4.49Å; F482-L562 HydrophobicContact CE2-CD2 3.35Å; F482-L562 HydrophobicContact CZ-CD1 4.05Å; F482-L562 HydrophobicContact CZ-CD2 3.39Å; F482-L562 HydrophobicContact CZ-CG 4.36Å
483	M	93.8	Very high	96.6	Very high	3 Å²	3	8 Å²	8	2%	0.015	4%	0.043	C	C	.	.	S	Bend	trans	-150.7	156.8	-175.8	70	-165.5	71.5	0	0	113.2	C87 W90 L479 D487 A488 T491	C87-M483 HydrophobicContact CB-CB 4.13Å; C87-M483 VanDerWaalsContact SG-CB 3.52Å; W90-M483 HydrophobicContact CE3-CE 3.9Å; L479-M483 HydrophobicContact CB-CE 4.44Å; L479-M483 HydrophobicContact CB-SD 4.48Å; L479-M483 HydrophobicContact CD2-CE 3.54Å; L479-M483 HydrophobicContact CD2-SD 4.18Å; L479-M483 WeakPolarHBondContact O-CG 3.37Å; L479-M483 PolarHBondContact O-N 3.32Å; M483-D487 HydrophobicContact CB-CB 3.73Å; M483-D487 HydrophobicContact CG-CB 3.56Å; M483-D487 VanDerWaalsContact SD-C 3.52Å; M483-D487 HydrophobicContact SD-CB 3.73Å; M483-A488 HydrophobicContact CG-CB 3.83Å; M483-A488 HydrophobicContact SD-CB 4.39Å; M483-T491 HydrophobicContact CE-CG2 4.42Å; M483-T491 HydrophobicContact SD-CG2 4.39Å; M483-T491 PolarHBondContact SD-OG1 3.39Å; M483-T491 VanDerWaalsContact SD-OG1 3.41Å
484	P	94.1	Very high	96.4	Very high	42 Å²	42	8.1 Å²	8.1	27%	0.273	4%	0.044	S	C	.	.			trans	-50.1	155.7	172.6	-27.6	34.1	0	0	0	113.9	L152 V486 D487 A488	L152-P484 HydrophobicContact CD2-CG 4.15Å; P484-V486 VanDerWaalsContact C-N 3.34Å; P484-V486 PolarHBondContact O-N 3.49Å; P484-D487 WeakPolarHBondContact CD-OD2 3.47Å; P484-D487 WeakPolarHBondContact O-CA 3.46Å; P484-D487 WeakPolarHBondContact O-CB 3.23Å; P484-D487 PolarHBondContact O-N 2.87Å; P484-A488 PolarHBondContact O-N 3.02Å
485	E	96.5	Very high	96.4	Very high	37 Å²	37	8 Å²	8	17%	0.173	4%	0.043	C	C	.	.	H	α-helix	trans	-54.1	-43.5	-175.4	-165	-170.1	108.5	0	0	114.3	Y411 S451 L480 A488 F489	Y411-E485 HydrophobicContact CE1-CG 4.32Å; Y411-E485 WeakPolarHBondContact CE1-OE1 3.48Å; Y411-E485 WeakPolarHBondContact OH-CG 3.31Å; Y411-E485 PolarHBondContact OH-OE1 3.03Å; S451-E485 WeakPolarHBondContact CA-OE2 3.42Å; S451-E485 WeakPolarHBondContact CB-OE2 3.49Å; S451-E485 PolarHBondContact OG-OE2 3.32Å; L480-E485 HydrophobicContact CD2-CB 4.11Å; L480-E485 HydrophobicContact CD2-CG 4.09Å; E485-A488 PolarHBondContact O-N 3.5Å; E485-F489 WeakPolarHBondContact O-CB 3.31Å; E485-F489 PolarHBondContact O-N 3.25Å
486	V	95.5	Very high	96.3	Very high	26 Å²	26	8.2 Å²	8.2	16%	0.158	4%	0.044	C	C	.	.	H	α-helix	trans	-68	-35.2	176.7	61.6	0	0	0	0	113	M98 E408 Y411 P484 W490	M98-V486 HydrophobicContact CE-CG1 4.02Å; M98-V486 HydrophobicContact CE-CG2 4.11Å; M98-V486 HydrophobicContact SD-CG2 3.92Å; E408-V486 HydrophobicContact CG-CG2 4.26Å; Y411-V486 HydrophobicContact CD1-CB 3.74Å; Y411-V486 HydrophobicContact CD1-CG2 3.78Å; Y411-V486 HydrophobicContact CE1-CB 4.21Å; Y411-V486 HydrophobicContact CG-CB 4.41Å; Y411-V486 HydrophobicContact CG-CG2 4.04Å; P484-V486 VanDerWaalsContact C-N 3.34Å; P484-V486 PolarHBondContact O-N 3.49Å; V486-W490 PolarHBondContact O-N 2.88Å; V486-W490 VanDerWaalsContact O-N 3.1Å
487	D	95.2	Very high	96	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.005	5%	0.053	C	C	.	.	H	α-helix	trans	-67.5	-42.4	173.3	-71.3	9	0	0	0	110.7	Q91 M98 R103 M483 P484 W490 T491	Q91-D487 PolarHBondContact NE2-OD2 3.44Å; M98-D487 WeakPolarHBondContact CE-OD1 3.27Å; R103-D487 IonicContact CZ-OD1 3.47Å; R103-D487 VanDerWaalsContact CZ-OD1 3.3Å; R103-D487 IonicContact CZ-OD2 3.7Å; R103-D487 VanDerWaalsContact NH1-CG 3.34Å; R103-D487 IonicContact NH1-OD1 3.65Å; R103-D487 PolarHBondContact NH1-OD1 3.45Å; R103-D487 IonicContact NH1-OD2 3.41Å; R103-D487 PolarHBondContact NH1-OD2 2.87Å; R103-D487 IonicContact NH2-OD1 2.81Å; R103-D487 PolarHBondContact NH2-OD1 3.09Å; R103-D487 IonicContact NH2-OD2 3.71Å; R103-D487 PolarHBondContact NH2-OD2 3.08Å; R103-D487 VanDerWaalsContact NH2-OD2 3.08Å; M483-D487 HydrophobicContact CB-CB 3.73Å; M483-D487 HydrophobicContact CG-CB 3.56Å; M483-D487 VanDerWaalsContact SD-C 3.52Å; M483-D487 HydrophobicContact SD-CB 3.73Å; P484-D487 WeakPolarHBondContact CD-OD2 3.47Å; P484-D487 WeakPolarHBondContact O-CA 3.46Å; P484-D487 WeakPolarHBondContact O-CB 3.23Å; P484-D487 PolarHBondContact O-N 2.87Å; D487-W490 PolarHBondContact O-N 3.05Å; D487-T491 VanDerWaalsContact O-CB 3.25Å; D487-T491 WeakPolarHBondContact O-CB 3.14Å; D487-T491 PolarHBondContact O-N 2.8Å; D487-T491 PolarHBondContact O-OG1 3.4Å
488	A	97.8	Very high	95.6	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-65.1	-43.3	179.5	0	0	0	0	0	110	L455 L479 L480 M483 P484 E485 T491 F492	L455-A488 HydrophobicContact CD1-CB 3.59Å; L479-A488 HydrophobicContact CB-CB 3.78Å; L480-A488 HydrophobicContact CD2-CB 3.77Å; L480-A488 HydrophobicContact CG-CB 3.96Å; M483-A488 HydrophobicContact CG-CB 3.83Å; M483-A488 HydrophobicContact SD-CB 4.39Å; P484-A488 PolarHBondContact O-N 3.02Å; E485-A488 PolarHBondContact O-N 3.5Å; A488-T491 PolarHBondContact O-N 2.86Å; A488-F492 WeakPolarHBondContact O-CB 3.24Å; A488-F492 PolarHBondContact O-N 2.73Å
489	F	97.9	Very high	95.5	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-55.8	-57.3	171.8	174.6	-103.1	0	0	0	111.8	Y411 Y414 L455 A458 E485 T491 F492 N493	Y411-F489 HydrophobicContact CD2-CB 3.73Å; Y411-F489 AromaticContact CD2-CD1 3.25Å; Y411-F489 HydrophobicContact CD2-CD1 3.25Å; Y411-F489 AromaticContact CD2-CD2 3.72Å; Y411-F489 HydrophobicContact CD2-CD2 3.72Å; Y411-F489 AromaticContact CD2-CE1 3.69Å; Y411-F489 HydrophobicContact CD2-CE1 3.69Å; Y411-F489 HydrophobicContact CD2-CE2 4.11Å; Y411-F489 AromaticContact CD2-CG 3.26Å; Y411-F489 HydrophobicContact CD2-CG 3.26Å; Y411-F489 HydrophobicContact CD2-CZ 4.09Å; Y411-F489 HydrophobicContact CE2-CB 3.53Å; Y411-F489 AromaticContact CE2-CD1 3.89Å; Y411-F489 HydrophobicContact CE2-CD1 3.89Å; Y411-F489 AromaticContact CE2-CD2 3.54Å; Y411-F489 HydrophobicContact CE2-CD2 3.54Å; Y411-F489 HydrophobicContact CE2-CE1 4.49Å; Y411-F489 HydrophobicContact CE2-CE2 4.2Å; Y411-F489 AromaticContact CE2-CG 3.36Å; Y411-F489 HydrophobicContact CE2-CG 3.36Å; Y411-F489 HydrophobicContact CG-CB 4.47Å; Y411-F489 AromaticContact CG-CD1 3.98Å; Y411-F489 HydrophobicContact CG-CD1 3.98Å; Y411-F489 HydrophobicContact CG-CE1 4.49Å; Y411-F489 HydrophobicContact CG-CG 4.25Å; Y414-F489 AromaticContact CD2-CE1 3.99Å; Y414-F489 HydrophobicContact CD2-CE1 3.99Å; Y414-F489 AromaticContact CD2-CZ 3.61Å; Y414-F489 HydrophobicContact CD2-CZ 3.61Å; Y414-F489 HydrophobicContact CE2-CE1 4.12Å; Y414-F489 AromaticContact CE2-CZ 3.87Å; Y414-F489 HydrophobicContact CE2-CZ 3.87Å; L455-F489 HydrophobicContact CG-CB 4.04Å; L455-F489 HydrophobicContact CG-CD2 4.42Å; A458-F489 HydrophobicContact CB-CD2 4.12Å; A458-F489 HydrophobicContact CB-CE2 3.78Å; A458-F489 HydrophobicContact CB-CZ 4.47Å; E485-F489 WeakPolarHBondContact O-CB 3.31Å; E485-F489 PolarHBondContact O-N 3.25Å; F489-T491 VanDerWaalsContact C-N 3.31Å; F489-T491 PolarHBondContact O-N 3.16Å; F489-F492 WeakPolarHBondContact O-CB 3.39Å; F489-F492 PolarHBondContact O-N 3.19Å; F489-F492 VanDerWaalsContact O-N 3.1Å; F489-N493 WeakPolarHBondContact CD1-ND2 3.46Å; F489-N493 WeakPolarHBondContact CD2-ND2 3.18Å; F489-N493 WeakPolarHBondContact CE1-ND2 3.21Å; F489-N493 VanDerWaalsContact CE2-ND2 3.27Å; F489-N493 WeakPolarHBondContact CE2-ND2 3.34Å; F489-N493 WeakPolarHBondContact CZ-ND2 3.34Å; F489-N493 PolarHBondContact O-N 3.1Å; F489-N493 PolarHBondContact O-ND2 3.12Å
490	W	96	Very high	95.4	Very high	4 Å²	4	12 Å²	12	2%	0.015	6%	0.06	C	C	.	.	H	α-helix	trans	-68.3	-29.7	-175.8	-74.1	116.7	0	0	0	113.3	S96 P97 M98 V400 P407 L410 Y414 V486 D487 E494	S96-W490 WeakPolarHBondContact OG-CB 3.47Å; P97-W490 HydrophobicContact CG-CB 4Å; P97-W490 HydrophobicContact CG-CD2 3.56Å; P97-W490 HydrophobicContact CG-CE3 3.42Å; P97-W490 VanDerWaalsContact CG-CE3 3.42Å; P97-W490 HydrophobicContact CG-CG 3.83Å; P97-W490 HydrophobicContact CG-CZ3 4.1Å; M98-W490 HydrophobicContact CG-CB 3.73Å; M98-W490 VanDerWaalsContact CG-CD1 3.42Å; M98-W490 HydrophobicContact CG-CG 3.83Å; V400-W490 HydrophobicContact CG2-CH2 3.84Å; V400-W490 HydrophobicContact CG2-CZ3 3.8Å; P407-W490 HydrophobicContact CB-CZ2 4.14Å; P407-W490 PolarHBondContact O-NE1 3Å; L410-W490 HydrophobicContact CB-CZ2 4.2Å; L410-W490 HydrophobicContact CD2-CH2 3.78Å; L410-W490 HydrophobicContact CD2-CZ2 3.99Å; L410-W490 HydrophobicContact CG-CH2 4.22Å; L410-W490 HydrophobicContact CG-CZ2 4.08Å; Y414-W490 HydrophobicContact CE2-CH2 4.32Å; V486-W490 PolarHBondContact O-N 2.88Å; V486-W490 VanDerWaalsContact O-N 3.1Å; D487-W490 PolarHBondContact O-N 3.05Å; W490-E494 WeakPolarHBondContact O-CG 3.29Å; W490-E494 PolarHBondContact O-N 3.15Å
491	T	96.3	Very high	95.2	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-73.5	-32.5	171.6	-50.6	0	0	0	0	112.1	Q91 L479 M483 D487 A488 F489 I495 F569	Q91-T491 VanDerWaalsContact CG-OG1 3.27Å; Q91-T491 WeakPolarHBondContact CG-OG1 3.47Å; L479-T491 HydrophobicContact CD1-CG2 4.34Å; L479-T491 HydrophobicContact CD2-CG2 3.6Å; M483-T491 HydrophobicContact CE-CG2 4.42Å; M483-T491 HydrophobicContact SD-CG2 4.39Å; M483-T491 PolarHBondContact SD-OG1 3.39Å; M483-T491 VanDerWaalsContact SD-OG1 3.41Å; D487-T491 VanDerWaalsContact O-CB 3.25Å; D487-T491 WeakPolarHBondContact O-CB 3.14Å; D487-T491 PolarHBondContact O-N 2.8Å; D487-T491 PolarHBondContact O-OG1 3.4Å; A488-T491 PolarHBondContact O-N 2.86Å; F489-T491 VanDerWaalsContact C-N 3.31Å; F489-T491 PolarHBondContact O-N 3.16Å; T491-I495 WeakPolarHBondContact O-CG1 3.34Å; T491-I495 PolarHBondContact O-N 3.44Å; T491-I495 VanDerWaalsContact O-N 3.13Å; T491-F569 HydrophobicContact CG2-CE1 4.01Å; T491-F569 HydrophobicContact CG2-CZ 3.84Å
492	F	97.9	Very high	95.1	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-69	-45.4	176.7	174.6	-111.5	0	0	0	111.9	L455 L456 Y459 Q472 L475 A476 L479 A488 F489 E494 I495 C496	L455-F492 HydrophobicContact CD2-CB 4.23Å; L455-F492 HydrophobicContact CD2-CD1 3.61Å; L455-F492 HydrophobicContact CD2-CE1 4.21Å; L455-F492 HydrophobicContact CD2-CG 4.01Å; L456-F492 HydrophobicContact CD2-CE1 4.11Å; L456-F492 HydrophobicContact CD2-CZ 4.02Å; Y459-F492 HydrophobicContact CD1-CE1 4.13Å; Y459-F492 AromaticContact CD2-CD1 3.82Å; Y459-F492 HydrophobicContact CD2-CD1 3.82Å; Y459-F492 AromaticContact CD2-CE1 3.52Å; Y459-F492 HydrophobicContact CD2-CE1 3.52Å; Y459-F492 HydrophobicContact CE2-CD1 4.48Å; Y459-F492 HydrophobicContact CE2-CE1 4.08Å; Y459-F492 HydrophobicContact CG-CD1 4.18Å; Y459-F492 AromaticContact CG-CE1 3.55Å; Y459-F492 HydrophobicContact CG-CE1 3.55Å; Q472-F492 HydrophobicContact CB-CE2 4.19Å; Q472-F492 HydrophobicContact CB-CZ 3.75Å; Q472-F492 HydrophobicContact CG-CE2 4.45Å; Q472-F492 HydrophobicContact CG-CZ 3.89Å; L475-F492 HydrophobicContact CB-CD2 4.12Å; L475-F492 HydrophobicContact CB-CE2 4.04Å; L475-F492 HydrophobicContact CD1-CE2 4.45Å; A476-F492 HydrophobicContact CB-CD2 4.13Å; A476-F492 HydrophobicContact CB-CE2 4.32Å; A476-F492 HydrophobicContact CB-CG 4.4Å; L479-F492 HydrophobicContact CD1-CB 3.65Å; L479-F492 HydrophobicContact CD1-CD2 4.47Å; A488-F492 WeakPolarHBondContact O-CB 3.24Å; A488-F492 PolarHBondContact O-N 2.73Å; F489-F492 WeakPolarHBondContact O-CB 3.39Å; F489-F492 PolarHBondContact O-N 3.19Å; F489-F492 VanDerWaalsContact O-N 3.1Å; F492-E494 VanDerWaalsContact C-N 3.31Å; F492-E494 PolarHBondContact O-N 3.26Å; F492-I495 PolarHBondContact O-N 3.42Å; F492-I495 VanDerWaalsContact O-N 3.11Å; F492-C496 VanDerWaalsContact CE2-SG 3.54Å; F492-C496 VanDerWaalsContact CZ-SG 3.58Å; F492-C496 PolarHBondContact O-N 3.02Å
493	N	95.5	Very high	95.2	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.005	7%	0.072	C	C	.	.	H	α-helix	trans	-52.3	-50.7	171.4	-74.8	-81	0	0	0	110.7	Y459 R462 F489 I495 C496 E497	Y459-N493 WeakPolarHBondContact CD2-OD1 3.38Å; R462-N493 VanDerWaalsContact CD-OD1 3.29Å; R462-N493 WeakPolarHBondContact CD-OD1 3.4Å; R462-N493 PolarHBondContact NE-OD1 2.86Å; F489-N493 WeakPolarHBondContact CD1-ND2 3.46Å; F489-N493 WeakPolarHBondContact CD2-ND2 3.18Å; F489-N493 WeakPolarHBondContact CE1-ND2 3.21Å; F489-N493 VanDerWaalsContact CE2-ND2 3.27Å; F489-N493 WeakPolarHBondContact CE2-ND2 3.34Å; F489-N493 WeakPolarHBondContact CZ-ND2 3.34Å; F489-N493 PolarHBondContact O-N 3.1Å; F489-N493 PolarHBondContact O-ND2 3.12Å; N493-I495 VanDerWaalsContact C-N 3.32Å; N493-I495 PolarHBondContact O-N 2.96Å; N493-C496 PolarHBondContact O-N 2.7Å; N493-C496 VanDerWaalsContact O-N 3.12Å; N493-E497 WeakPolarHBondContact O-CB 3.48Å; N493-E497 WeakPolarHBondContact O-CG 3.5Å; N493-E497 PolarHBondContact O-N 3.38Å
494	E	94.7	Very high	95.2	Very high	3 Å²	3	13.6 Å²	13.6	1%	0.014	7%	0.073	C	C	.	.	H	α-helix	trans	-56.7	-39.6	177.2	-76.4	-71.4	148.9	0	0	113.6	C94 W490 F492 R498 Y499	C94-E494 HydrophobicContact CB-CB 3.91Å; C94-E494 HydrophobicContact CB-CG 4.31Å; W490-E494 WeakPolarHBondContact O-CG 3.29Å; W490-E494 PolarHBondContact O-N 3.15Å; F492-E494 VanDerWaalsContact C-N 3.31Å; F492-E494 PolarHBondContact O-N 3.26Å; E494-R498 WeakPolarHBondContact O-CB 3.46Å; E494-R498 PolarHBondContact O-N 2.7Å; E494-R498 IonicContact OE1-CZ 2.82Å; E494-R498 IonicContact OE1-NE 3.76Å; E494-R498 IonicContact OE1-NH1 3.85Å; E494-R498 PolarHBondContact OE1-NH1 2.8Å; E494-R498 IonicContact OE1-NH2 2.75Å; E494-R498 WeakPolarHBondContact OE2-CD 3.47Å; E494-R498 IonicContact OE2-CZ 3.41Å; E494-R498 VanDerWaalsContact OE2-CZ 3.28Å; E494-R498 IonicContact OE2-NE 3.36Å; E494-R498 PolarHBondContact OE2-NE 2.72Å; E494-R498 IonicContact OE2-NH1 3.16Å; E494-R498 PolarHBondContact OE2-NH1 3.28Å; E494-Y499 WeakPolarHBondContact O-CD2 3.22Å; E494-Y499 PolarHBondContact O-N 3.03Å
495	I	96.5	Very high	95.2	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.071	C	C	.	.	I	π-helix	trans	-62.7	-52.2	173.6	-65.4	172.3	0	0	0	110.4	L475 L479 T491 F492 N493 Y499 L500 W565 F568 F569	L475-I495 HydrophobicContact CD1-CG2 4.04Å; L479-I495 HydrophobicContact CD1-CD1 3.94Å; L479-I495 HydrophobicContact CD2-CD1 4.49Å; T491-I495 WeakPolarHBondContact O-CG1 3.34Å; T491-I495 PolarHBondContact O-N 3.44Å; T491-I495 VanDerWaalsContact O-N 3.13Å; F492-I495 PolarHBondContact O-N 3.42Å; F492-I495 VanDerWaalsContact O-N 3.11Å; N493-I495 VanDerWaalsContact C-N 3.32Å; N493-I495 PolarHBondContact O-N 2.96Å; I495-Y499 CarbonylContact O-C 3.38Å; I495-Y499 WeakPolarHBondContact O-CA 3.18Å; I495-Y499 WeakPolarHBondContact O-CB 3.38Å; I495-Y499 PolarHBondContact O-N 3.3Å; I495-Y499 VanDerWaalsContact O-N 3.09Å; I495-L500 HydrophobicContact CG2-CD1 3.63Å; I495-L500 HydrophobicContact CG2-CG 3.85Å; I495-L500 PolarHBondContact O-N 3Å; I495-W565 HydrophobicContact CD1-CH2 4.18Å; I495-W565 HydrophobicContact CD1-CZ3 4.18Å; I495-F568 HydrophobicContact CG1-CE1 4.4Å; I495-F568 HydrophobicContact CG2-CE1 4.16Å; I495-F568 HydrophobicContact CG2-CZ 4.21Å; I495-F569 HydrophobicContact CD1-CE1 4.33Å; I495-F569 HydrophobicContact CD1-CZ 3.83Å; I495-F569 HydrophobicContact CG1-CE1 3.95Å; I495-F569 HydrophobicContact CG1-CZ 3.98Å
496	C	95.8	Very high	94.9	Very high	5 Å²	5	19.6 Å²	19.6	3%	0.034	10%	0.103	C	C	.	.	I	π-helix	trans	-69	-40.8	-175.2	-69.9	0	0	0	0	113.4	Y459 F492 N493 L500 E501 Y504	Y459-C496 HydrophobicContact CE2-CB 3.91Å; Y459-C496 WeakPolarHBondContact OH-CB 3.45Å; F492-C496 VanDerWaalsContact CE2-SG 3.54Å; F492-C496 VanDerWaalsContact CZ-SG 3.58Å; F492-C496 PolarHBondContact O-N 3.02Å; N493-C496 PolarHBondContact O-N 2.7Å; N493-C496 VanDerWaalsContact O-N 3.12Å; C496-L500 CarbonylContact O-C 3.5Å; C496-E501 PolarHBondContact O-N 2.94Å; C496-Y504 HydrophobicContact CB-CD2 4.26Å; C496-Y504 HydrophobicContact CB-CE2 4.28Å; C496-Y504 VanDerWaalsContact SG-CE2 3.55Å
497	E	91.9	Very high	94.7	Very high	40 Å²	40	20.9 Å²	20.9	19%	0.187	12%	0.122	C	C	.	.	I	π-helix	trans	-78.2	-42.7	-177.9	-66.2	179.4	116.5	0	0	112.2	L399 R462 H463 N493	L399-E497 HydrophobicContact CD1-CB 3.56Å; L399-E497 HydrophobicContact CD1-CG 4.09Å; R462-E497 IonicContact CZ-OE1 2.74Å; R462-E497 IonicContact NE-OE1 3.16Å; R462-E497 IonicContact NH2-OE1 3.25Å; R462-E497 PolarHBondContact NH2-OE1 3.3Å; R462-E497 IonicContact NH2-OE2 2.62Å; R462-E497 PolarHBondContact NH2-OE2 2.81Å; H463-E497 IonicContact CE1-OE1 3.84Å; H463-E497 PolarHBondContact CE1-OE1 3.43Å; H463-E497 IonicContact NE2-OE1 3.2Å; H463-E497 PolarHBondContact NE2-OE1 3.4Å; N493-E497 WeakPolarHBondContact O-CB 3.48Å; N493-E497 WeakPolarHBondContact O-CG 3.5Å; N493-E497 PolarHBondContact O-N 3.38Å
498	R	89.7	Confident	94.7	Very high	27 Å²	27	22.5 Å²	22.5	10%	0.102	13%	0.13	C	C	.	.	I	π-helix	trans	-107.4	-38.1	-170.3	-56.8	-164.5	-179.5	155.6	-18.5	115.3	C94 I367 R396 A397 T398 L399 E494	C94-R498 PolarHBondContact O-NH1 2.79Å; I367-R498 WeakPolarHBondContact CD1-O 3.43Å; R396-R498 PolarHBondContact O-NH1 3.44Å; R396-R498 PolarHBondContact O-NH2 3.39Å; A397-R498 VanDerWaalsContact C-NH2 3.33Å; A397-R498 PolarHBondContact O-NH2 3.01Å; T398-R498 VanDerWaalsContact CA-NH2 3.3Å; L399-R498 HydrophobicContact CD1-CG 4.13Å; E494-R498 WeakPolarHBondContact O-CB 3.46Å; E494-R498 PolarHBondContact O-N 2.7Å; E494-R498 IonicContact OE1-CZ 2.82Å; E494-R498 IonicContact OE1-NE 3.76Å; E494-R498 IonicContact OE1-NH1 3.85Å; E494-R498 PolarHBondContact OE1-NH1 2.8Å; E494-R498 IonicContact OE1-NH2 2.75Å; E494-R498 WeakPolarHBondContact OE2-CD 3.47Å; E494-R498 IonicContact OE2-CZ 3.41Å; E494-R498 VanDerWaalsContact OE2-CZ 3.28Å; E494-R498 IonicContact OE2-NE 3.36Å; E494-R498 PolarHBondContact OE2-NE 2.72Å; E494-R498 IonicContact OE2-NH1 3.16Å; E494-R498 PolarHBondContact OE2-NH1 3.28Å
499	Y	94.7	Very high	94.6	Very high	11 Å²	11	27 Å²	27	4%	0.043	15%	0.151	C	C	.	.	I	π-helix	trans	-90.1	-42.7	-176	-70.7	-106.3	0	0	0	111.7	L93 C94 R396 E494 I495 F568 F569 K573	L93-Y499 PolarHBondContact O-OH 2.92Å; L93-Y499 VanDerWaalsContact O-OH 3.09Å; C94-Y499 WeakPolarHBondContact CA-OH 3.28Å; C94-Y499 HydrophobicContact CB-CE2 3.8Å; R396-Y499 PolarHBondContact NH2-OH 3.4Å; E494-Y499 WeakPolarHBondContact O-CD2 3.22Å; E494-Y499 PolarHBondContact O-N 3.03Å; I495-Y499 CarbonylContact O-C 3.38Å; I495-Y499 WeakPolarHBondContact O-CA 3.18Å; I495-Y499 WeakPolarHBondContact O-CB 3.38Å; I495-Y499 PolarHBondContact O-N 3.3Å; I495-Y499 VanDerWaalsContact O-N 3.09Å; Y499-F568 VanDerWaalsContact CB-CZ 3.45Å; Y499-F568 HydrophobicContact CD1-CD1 4.43Å; Y499-F568 HydrophobicContact CD1-CD2 4.46Å; Y499-F568 HydrophobicContact CD1-CE1 4.1Å; Y499-F568 HydrophobicContact CD1-CE2 4.13Å; Y499-F568 AromaticContact CD1-CZ 3.97Å; Y499-F568 HydrophobicContact CD1-CZ 3.97Å; Y499-F568 WeakPolarHBondContact CE1-O 3.22Å; Y499-F568 HydrophobicContact CG-CE1 4.25Å; Y499-F568 HydrophobicContact CG-CZ 4.01Å; Y499-F569 PolarHBondContact OH-O 3.1Å; Y499-K573 WeakPolarHBondContact O-CD 3.38Å
500	L	95.6	Very high	94.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	-111.8	30.9	-178	-51.5	-176.4	0	0	0	111.8	L475 I495 C496 S502 Y503 Y504 F568 L576	L475-L500 HydrophobicContact CD1-CD1 3.88Å; I495-L500 HydrophobicContact CG2-CD1 3.63Å; I495-L500 HydrophobicContact CG2-CG 3.85Å; I495-L500 PolarHBondContact O-N 3Å; C496-L500 CarbonylContact O-C 3.5Å; L500-S502 PolarHBondContact O-N 3.08Å; L500-Y503 HydrophobicContact CB-CD2 3.84Å; L500-Y503 HydrophobicContact CB-CE2 4.41Å; L500-Y503 HydrophobicContact CB-CG 3.98Å; L500-Y503 HydrophobicContact CD1-CD2 4.44Å; L500-Y503 HydrophobicContact CD2-CD2 3.92Å; L500-Y503 HydrophobicContact CD2-CE2 3.69Å; L500-Y503 HydrophobicContact CG-CD2 4.26Å; L500-Y503 VanDerWaalsContact O-CB 3.26Å; L500-Y503 WeakPolarHBondContact O-CB 3.24Å; L500-Y503 PolarHBondContact O-N 2.87Å; L500-Y504 HydrophobicContact CB-CE2 4.03Å; L500-Y504 HydrophobicContact CD1-CE2 4.19Å; L500-Y504 WeakPolarHBondContact CD1-OH 3.46Å; L500-F568 HydrophobicContact CD2-CE2 3.9Å; L500-F568 HydrophobicContact CD2-CZ 3.79Å; L500-F568 HydrophobicContact CG-CZ 4.08Å; L500-L576 HydrophobicContact CD2-CD1 3.81Å
501	E	93.1	Very high	94.5	Very high	36 Å²	36	27.6 Å²	27.6	17%	0.168	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-32.1	114.3	172.3	176.7	-162	-118.3	0	0	112.6	S365 C496 Y503 R510 K573	S365-E501 WeakPolarHBondContact CA-OE1 3.36Å; S365-E501 WeakPolarHBondContact CB-OE2 3.43Å; S365-E501 PolarHBondContact OG-OE2 2.87Å; C496-E501 PolarHBondContact O-N 2.94Å; E501-Y503 VanDerWaalsContact C-N 3.3Å; E501-Y503 PolarHBondContact O-N 2.94Å; E501-R510 WeakPolarHBondContact O-CG 3.09Å; E501-R510 PolarHBondContact O-NH1 3.34Å; E501-R510 IonicContact OE2-CZ 3.27Å; E501-R510 IonicContact OE2-NH1 2.93Å; E501-R510 PolarHBondContact OE2-NH1 2.94Å; E501-R510 IonicContact OE2-NH2 2.74Å; E501-R510 PolarHBondContact OE2-NH2 3.14Å; E501-R510 VanDerWaalsContact OE2-NH2 3.16Å; E501-K573 IonicContact OE2-NZ 3.09Å; E501-K573 PolarHBondContact OE2-NZ 2.89Å
502	S	94.5	Very high	94.5	Very high	45 Å²	45	29.6 Å²	29.6	32%	0.315	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	62	15.5	-179.5	-65.2	0	0	0	0	117.7	L500 Y504 D505 R510	L500-S502 PolarHBondContact O-N 3.08Å; S502-Y504 VanDerWaalsContact C-N 3.29Å; S502-Y504 PolarHBondContact O-N 3.26Å; S502-D505 VanDerWaalsContact CA-OD2 3.29Å; S502-D505 WeakPolarHBondContact CA-OD2 3.22Å; S502-D505 WeakPolarHBondContact CB-OD2 3.23Å; S502-D505 PolarHBondContact OG-OD2 2.85Å; S502-R510 VanDerWaalsContact O-CB 3.22Å; S502-R510 WeakPolarHBondContact O-CB 3.39Å
503	Y	95.7	Very high	94.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	-67.2	-30.1	173.4	-83.3	21.9	0	0	0	113.1	L500 E501 L508 R510 V511 D514 F548 M549	L500-Y503 HydrophobicContact CB-CD2 3.84Å; L500-Y503 HydrophobicContact CB-CE2 4.41Å; L500-Y503 HydrophobicContact CB-CG 3.98Å; L500-Y503 HydrophobicContact CD1-CD2 4.44Å; L500-Y503 HydrophobicContact CD2-CD2 3.92Å; L500-Y503 HydrophobicContact CD2-CE2 3.69Å; L500-Y503 HydrophobicContact CG-CD2 4.26Å; L500-Y503 VanDerWaalsContact O-CB 3.26Å; L500-Y503 WeakPolarHBondContact O-CB 3.24Å; L500-Y503 PolarHBondContact O-N 2.87Å; E501-Y503 VanDerWaalsContact C-N 3.3Å; E501-Y503 PolarHBondContact O-N 2.94Å; Y503-L508 WeakPolarHBondContact O-CD2 3.14Å; Y503-R510 HydrophobicContact CD1-CB 4.16Å; Y503-R510 HydrophobicContact CD1-CG 3.72Å; Y503-R510 HydrophobicContact CE1-CG 3.88Å; Y503-V511 HydrophobicContact CD1-CB 4.36Å; Y503-V511 HydrophobicContact CD2-CB 4.35Å; Y503-V511 HydrophobicContact CD2-CG2 4.49Å; Y503-V511 HydrophobicContact CE2-CG2 4.45Å; Y503-V511 HydrophobicContact CG-CB 4.23Å; Y503-D514 HydrophobicContact CE1-CB 4.43Å; Y503-D514 WeakPolarHBondContact CE1-OD2 3.2Å; Y503-D514 PolarHBondContact OH-OD2 2.83Å; Y503-F548 HydrophobicContact CE2-CB 3.91Å; Y503-M549 HydrophobicContact CD2-SD 4.38Å; Y503-M549 WeakPolarHBondContact O-CE 3.48Å; Y503-M549 VanDerWaalsContact O-SD 3.42Å
504	Y	94.9	Very high	94.6	Very high	8 Å²	8	30.1 Å²	30.1	3%	0.031	17%	0.166	C	C	.	.	S	Bend	trans	-102.1	2.1	-172.7	-56.3	-67.1	0	0	0	113.8	C469 Q472 L475 C496 L500 S502 M549	C469-Y504 HydrophobicContact CB-CD1 3.87Å; C469-Y504 HydrophobicContact CB-CG 4.23Å; Q472-Y504 HydrophobicContact CG-CD1 3.71Å; Q472-Y504 HydrophobicContact CG-CD2 4.38Å; Q472-Y504 HydrophobicContact CG-CE1 3.82Å; Q472-Y504 HydrophobicContact CG-CE2 4.48Å; Q472-Y504 HydrophobicContact CG-CG 4.02Å; L475-Y504 WeakPolarHBondContact CD1-OH 3.4Å; C496-Y504 HydrophobicContact CB-CD2 4.26Å; C496-Y504 HydrophobicContact CB-CE2 4.28Å; C496-Y504 VanDerWaalsContact SG-CE2 3.55Å; L500-Y504 HydrophobicContact CB-CE2 4.03Å; L500-Y504 HydrophobicContact CD1-CE2 4.19Å; L500-Y504 WeakPolarHBondContact CD1-OH 3.46Å; S502-Y504 VanDerWaalsContact C-N 3.29Å; S502-Y504 PolarHBondContact O-N 3.26Å; Y504-M549 HydrophobicContact CD1-CE 3.52Å; Y504-M549 HydrophobicContact CD1-SD 4.33Å; Y504-M549 HydrophobicContact CE1-CE 3.64Å; Y504-M549 HydrophobicContact CE1-SD 4.07Å; Y504-M549 PolarHBondContact OH-O 2.93Å
505	D	93.5	Very high	94.8	Very high	46 Å²	46	30 Å²	30	25%	0.246	17%	0.165	C	C	.	.	S	Bend	trans	-74.2	160.7	178.4	-56.8	-0	0	0	0	109.8	K466 S502 L508	K466-D505 WeakPolarHBondContact CD-OD1 3.41Å; K466-D505 VanDerWaalsContact CE-OD1 3.27Å; K466-D505 WeakPolarHBondContact CE-OD1 3.44Å; S502-D505 VanDerWaalsContact CA-OD2 3.29Å; S502-D505 WeakPolarHBondContact CA-OD2 3.22Å; S502-D505 WeakPolarHBondContact CB-OD2 3.23Å; S502-D505 PolarHBondContact OG-OD2 2.85Å; D505-L508 PolarHBondContact O-N 3.07Å; D505-L508 VanDerWaalsContact O-N 3.08Å
506	D	90.5	Very high	94.8	Very high	158 Å²	158	31.4 Å²	31.4	85%	0.845	17%	0.173	S	C	*	.	G	3₁₀ helix	trans	-53.5	144.8	-175.7	-85.4	-39.9	0	0	0	113.6	L508	D506-L508 PolarHBondContact O-N 3.12Å; D506-L508 VanDerWaalsContact O-N 3.12Å
507	G	91.7	Very high	94.9	Very high	54 Å²	54	31.2 Å²	31.2	56%	0.557	17%	0.171	S	C	*	.	G	3₁₀ helix	trans	71.9	-7.6	-175.1	0	0	0	0	0	115.2	E509 Q512	G507-E509 PolarHBondContact O-N 3.12Å; G507-E509 VanDerWaalsContact O-N 3.14Å; G507-Q512 PolarHBondContact O-NE2 3.34Å
508	L	94.7	Very high	95.3	Very high	34 Å²	34	29.3 Å²	29.3	18%	0.178	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	56	24.4	-179.5	-53.6	-178.5	0	0	0	113.7	Y503 D505 D506 R510 V511 Q512 L545 M549	Y503-L508 WeakPolarHBondContact O-CD2 3.14Å; D505-L508 PolarHBondContact O-N 3.07Å; D505-L508 VanDerWaalsContact O-N 3.08Å; D506-L508 PolarHBondContact O-N 3.12Å; D506-L508 VanDerWaalsContact O-N 3.12Å; L508-R510 PolarHBondContact O-N 3Å; L508-R510 VanDerWaalsContact O-N 3.1Å; L508-V511 HydrophobicContact CB-CG1 3.88Å; L508-V511 WeakPolarHBondContact O-CG1 3.22Å; L508-V511 PolarHBondContact O-N 3.47Å; L508-Q512 PolarHBondContact O-N 3.28Å; L508-L545 HydrophobicContact CD1-CD2 4.35Å; L508-M549 HydrophobicContact CD1-CE 4.47Å; L508-M549 HydrophobicContact CD2-CE 3.7Å
509	E	95	Very high	95.7	Very high	94 Å²	94	28.1 Å²	28.1	44%	0.439	16%	0.158	S	C	.	.	H	α-helix	trans	-54.1	-40.7	-167.9	-65.5	-162.1	-170.3	0	0	112.8	G507 V511 Q512 I513 W645	G507-E509 PolarHBondContact O-N 3.12Å; G507-E509 VanDerWaalsContact O-N 3.14Å; E509-V511 PolarHBondContact O-N 2.98Å; E509-Q512 WeakPolarHBondContact O-CB 3.17Å; E509-Q512 PolarHBondContact O-N 2.98Å; E509-I513 VanDerWaalsContact O-CG1 3.29Å; E509-I513 WeakPolarHBondContact O-CG1 3.43Å; E509-I513 PolarHBondContact O-N 3.01Å; E509-W645 HydrophobicContact CB-CZ2 4.13Å; E509-W645 HydrophobicContact CG-CZ2 4.05Å; E509-W645 PolarHBondContact OE2-NE1 3.21Å
510	R	95.7	Very high	95.8	Very high	17 Å²	17	28.6 Å²	28.6	6%	0.064	16%	0.164	C	C	.	.	H	α-helix	trans	-66	-39.5	-174.6	-174.2	57.9	178.2	-78.6	14.8	113.5	S365 E501 S502 Y503 L508 Q512 I513 D514 K573	S365-R510 PolarHBondContact OG-NH2 3.35Å; E501-R510 WeakPolarHBondContact O-CG 3.09Å; E501-R510 PolarHBondContact O-NH1 3.34Å; E501-R510 IonicContact OE2-CZ 3.27Å; E501-R510 IonicContact OE2-NH1 2.93Å; E501-R510 PolarHBondContact OE2-NH1 2.94Å; E501-R510 IonicContact OE2-NH2 2.74Å; E501-R510 PolarHBondContact OE2-NH2 3.14Å; E501-R510 VanDerWaalsContact OE2-NH2 3.16Å; S502-R510 VanDerWaalsContact O-CB 3.22Å; S502-R510 WeakPolarHBondContact O-CB 3.39Å; Y503-R510 HydrophobicContact CD1-CB 4.16Å; Y503-R510 HydrophobicContact CD1-CG 3.72Å; Y503-R510 HydrophobicContact CE1-CG 3.88Å; L508-R510 PolarHBondContact O-N 3Å; L508-R510 VanDerWaalsContact O-N 3.1Å; R510-Q512 VanDerWaalsContact C-N 3.33Å; R510-I513 PolarHBondContact O-N 3.36Å; R510-D514 IonicContact NE-OD1 3.19Å; R510-D514 PolarHBondContact NE-OD1 3.35Å; R510-D514 WeakPolarHBondContact O-CB 3.34Å; R510-D514 PolarHBondContact O-N 3.5Å; R510-K573 VanDerWaalsContact NH2-NZ 3.17Å
511	V	96.6	Very high	95.9	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-72.5	-30.1	177	61.7	0	0	0	0	111.2	Y503 L508 E509 D514 G515 V544 L545 F548 M549	Y503-V511 HydrophobicContact CD1-CB 4.36Å; Y503-V511 HydrophobicContact CD2-CB 4.35Å; Y503-V511 HydrophobicContact CD2-CG2 4.49Å; Y503-V511 HydrophobicContact CE2-CG2 4.45Å; Y503-V511 HydrophobicContact CG-CB 4.23Å; L508-V511 HydrophobicContact CB-CG1 3.88Å; L508-V511 WeakPolarHBondContact O-CG1 3.22Å; L508-V511 PolarHBondContact O-N 3.47Å; E509-V511 PolarHBondContact O-N 2.98Å; V511-D514 PolarHBondContact O-N 2.91Å; V511-G515 PolarHBondContact O-N 3.25Å; V511-V544 HydrophobicContact CG2-CB 4.44Å; V511-V544 HydrophobicContact CG2-CG2 4.18Å; V511-V544 WeakPolarHBondContact O-CG2 3.15Å; V511-L545 HydrophobicContact CG1-CD2 4Å; V511-F548 HydrophobicContact CG2-CB 4.01Å; V511-M549 HydrophobicContact CB-SD 4.05Å; V511-M549 HydrophobicContact CG1-CG 4.33Å; V511-M549 HydrophobicContact CG1-SD 3.71Å; V511-M549 HydrophobicContact CG2-CG 4.21Å; V511-M549 HydrophobicContact CG2-SD 4.22Å
512	Q	96.8	Very high	96.2	Very high	43 Å²	43	27.3 Å²	27.3	20%	0.201	16%	0.158	C	C	.	.	H	α-helix	trans	-67.4	-45.3	172.3	-59.6	-169.4	70.9	0	0	111.7	G507 L508 E509 R510 G515 D516 N541 W645	G507-Q512 PolarHBondContact O-NE2 3.34Å; L508-Q512 PolarHBondContact O-N 3.28Å; E509-Q512 WeakPolarHBondContact O-CB 3.17Å; E509-Q512 PolarHBondContact O-N 2.98Å; R510-Q512 VanDerWaalsContact C-N 3.33Å; Q512-G515 WeakPolarHBondContact O-CA 3.3Å; Q512-G515 PolarHBondContact O-N 3.19Å; Q512-G515 VanDerWaalsContact O-N 3.08Å; Q512-D516 PolarHBondContact O-N 2.93Å; Q512-D516 VanDerWaalsContact O-N 3.07Å; Q512-N541 PolarHBondContact OE1-ND2 2.95Å; Q512-W645 HydrophobicContact CB-CH2 3.55Å; Q512-W645 HydrophobicContact CB-CZ2 4.3Å; Q512-W645 HydrophobicContact CB-CZ3 3.83Å; Q512-W645 HydrophobicContact CG-CH2 4.25Å
513	I	97.4	Very high	96.3	Very high	11 Å²	11	31 Å²	31	6%	0.056	17%	0.168	C	C	.	.	H	α-helix	trans	-59.1	-46.9	172.5	-67.5	163.7	0	0	0	110.7	E509 R510 G515 D516 V517 Q641 W645	E509-I513 VanDerWaalsContact O-CG1 3.29Å; E509-I513 WeakPolarHBondContact O-CG1 3.43Å; E509-I513 PolarHBondContact O-N 3.01Å; R510-I513 PolarHBondContact O-N 3.36Å; I513-G515 PolarHBondContact O-N 2.69Å; I513-D516 CarbonylContact O-C 3.58Å; I513-D516 WeakPolarHBondContact O-CA 3.39Å; I513-D516 WeakPolarHBondContact O-CB 3.23Å; I513-D516 PolarHBondContact O-N 3.42Å; I513-V517 HydrophobicContact CG2-CG2 4.47Å; I513-V517 WeakPolarHBondContact O-CG2 3.26Å; I513-V517 PolarHBondContact O-N 3.41Å; I513-Q641 HydrophobicContact CG2-CB 4.02Å; I513-W645 HydrophobicContact CD1-CB 4.12Å; I513-W645 HydrophobicContact CD1-CD2 4.11Å; I513-W645 HydrophobicContact CD1-CG 3.74Å; I513-W645 HydrophobicContact CG1-CB 3.87Å; I513-W645 HydrophobicContact CG1-CD2 3.56Å; I513-W645 HydrophobicContact CG1-CE3 3.89Å; I513-W645 HydrophobicContact CG1-CG 3.56Å
514	D	97.7	Very high	96.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-65.5	-22.8	177.4	-82.9	15.7	0	0	0	111.6	Y503 R510 V511 L518 F548 F577	Y503-D514 HydrophobicContact CE1-CB 4.43Å; Y503-D514 WeakPolarHBondContact CE1-OD2 3.2Å; Y503-D514 PolarHBondContact OH-OD2 2.83Å; R510-D514 IonicContact NE-OD1 3.19Å; R510-D514 PolarHBondContact NE-OD1 3.35Å; R510-D514 WeakPolarHBondContact O-CB 3.34Å; R510-D514 PolarHBondContact O-N 3.5Å; V511-D514 PolarHBondContact O-N 2.91Å; D514-L518 PolarHBondContact O-N 3.37Å; D514-F548 HydrophobicContact CB-CD2 4.44Å; D514-F548 HydrophobicContact CB-CE2 4.4Å; D514-F577 HydrophobicContact CB-CE1 4.36Å; D514-F577 HydrophobicContact CB-CZ 3.78Å; D514-F577 VanDerWaalsContact O-CE1 3.25Å; D514-F577 WeakPolarHBondContact O-CE1 3.42Å
515	G	98	Very high	96.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-65.6	-47.8	164.7	0	0	0	0	0	113.5	V511 Q512 I513 V517 L518 Y519 P540	V511-G515 PolarHBondContact O-N 3.25Å; Q512-G515 WeakPolarHBondContact O-CA 3.3Å; Q512-G515 PolarHBondContact O-N 3.19Å; Q512-G515 VanDerWaalsContact O-N 3.08Å; I513-G515 PolarHBondContact O-N 2.69Å; G515-V517 PolarHBondContact O-N 3.29Å; G515-L518 WeakPolarHBondContact O-CB 3.31Å; G515-L518 PolarHBondContact O-N 2.65Å; G515-L518 VanDerWaalsContact O-N 3.14Å; G515-Y519 PolarHBondContact O-N 3.08Å; G515-P540 WeakPolarHBondContact O-CB 3.3Å
516	D	97.9	Very high	96.7	Very high	31 Å²	31	37 Å²	37	17%	0.166	21%	0.207	C	C	.	.	H	α-helix	trans	-61.4	-35.6	174.7	-136.9	-6.7	0	0	0	111	Q512 I513 Y519 A520 Q641 K644	Q512-D516 PolarHBondContact O-N 2.93Å; Q512-D516 VanDerWaalsContact O-N 3.07Å; I513-D516 CarbonylContact O-C 3.58Å; I513-D516 WeakPolarHBondContact O-CA 3.39Å; I513-D516 WeakPolarHBondContact O-CB 3.23Å; I513-D516 PolarHBondContact O-N 3.42Å; D516-Y519 PolarHBondContact O-N 3.11Å; D516-A520 WeakPolarHBondContact O-CB 3.49Å; D516-A520 PolarHBondContact O-N 3.46Å; D516-Q641 HydrophobicContact CB-CB 4.28Å; D516-Q641 HydrophobicContact CB-CG 4.23Å; D516-K644 IonicContact OD1-NZ 2.76Å; D516-K644 PolarHBondContact OD1-NZ 2.74Å; D516-K644 IonicContact OD2-NZ 3.95Å; D516-K644 PolarHBondContact OD2-NZ 3.08Å
517	V	98.3	Very high	97.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-63.8	-45.9	171.4	172.5	0	0	0	0	111.3	I513 G515 Y519 A520 L521 F577 L634 Q637 I638 Q641	I513-V517 HydrophobicContact CG2-CG2 4.47Å; I513-V517 WeakPolarHBondContact O-CG2 3.26Å; I513-V517 PolarHBondContact O-N 3.41Å; G515-V517 PolarHBondContact O-N 3.29Å; V517-Y519 VanDerWaalsContact C-N 3.27Å; V517-Y519 PolarHBondContact O-N 3.12Å; V517-A520 PolarHBondContact O-N 3.47Å; V517-L521 HydrophobicContact CG1-CD1 3.83Å; V517-L521 HydrophobicContact CG1-CG 4.41Å; V517-L521 VanDerWaalsContact O-CG 3.29Å; V517-L521 WeakPolarHBondContact O-CG 3.36Å; V517-L521 PolarHBondContact O-N 3.34Å; V517-F577 HydrophobicContact CB-CE1 3.91Å; V517-F577 HydrophobicContact CB-CZ 4.43Å; V517-F577 HydrophobicContact CG1-CD1 4.24Å; V517-F577 HydrophobicContact CG1-CE1 3.51Å; V517-F577 HydrophobicContact CG1-CZ 4.02Å; V517-L634 HydrophobicContact CG1-CD1 3.7Å; V517-Q637 HydrophobicContact CG1-CB 3.84Å; V517-Q637 HydrophobicContact CG2-CB 4.49Å; V517-I638 HydrophobicContact CG1-CG1 4.31Å; V517-I638 HydrophobicContact CG2-CG1 4.07Å; V517-Q641 HydrophobicContact CB-CG 4.39Å; V517-Q641 HydrophobicContact CG2-CB 3.82Å; V517-Q641 HydrophobicContact CG2-CG 3.62Å
518	L	98.4	Very high	97.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-57.4	-42.1	174.5	174.3	63.8	0	0	0	111	D514 G515 L521 L522 V543 V544 F548 F577 A580 I581 L584	D514-L518 PolarHBondContact O-N 3.37Å; G515-L518 WeakPolarHBondContact O-CB 3.31Å; G515-L518 PolarHBondContact O-N 2.65Å; G515-L518 VanDerWaalsContact O-N 3.14Å; L518-L521 PolarHBondContact O-N 2.94Å; L518-L522 VanDerWaalsContact O-CB 3.28Å; L518-L522 WeakPolarHBondContact O-CB 3.43Å; L518-L522 PolarHBondContact O-N 3.5Å; L518-V543 HydrophobicContact CD2-CG1 4.24Å; L518-V544 HydrophobicContact CB-CG1 4.44Å; L518-V544 HydrophobicContact CD2-CG1 3.57Å; L518-F548 HydrophobicContact CD2-CZ 4.24Å; L518-F577 HydrophobicContact CB-CD1 4.1Å; L518-F577 HydrophobicContact CB-CE1 4.27Å; L518-F577 HydrophobicContact CD1-CD1 4.39Å; L518-A580 HydrophobicContact CD1-CB 3.71Å; L518-A580 HydrophobicContact CD2-CB 3.77Å; L518-A580 HydrophobicContact CG-CB 4.42Å; L518-I581 HydrophobicContact CD1-CD1 4.24Å; L518-I581 HydrophobicContact CD1-CG1 3.77Å; L518-L584 HydrophobicContact CD2-CD1 4.5Å
519	Y	98.1	Very high	97.5	Very high	3 Å²	3	31.3 Å²	31.3	1%	0.012	17%	0.171	C	C	.	.	H	α-helix	trans	-68.7	-37.1	177.2	-90.5	-126.7	0	0	0	112.6	G515 D516 V517 L522 K523 Y530 L533 R534 V538 P540	G515-Y519 PolarHBondContact O-N 3.08Å; D516-Y519 PolarHBondContact O-N 3.11Å; V517-Y519 VanDerWaalsContact C-N 3.27Å; V517-Y519 PolarHBondContact O-N 3.12Å; Y519-L522 PolarHBondContact O-N 2.71Å; Y519-K523 VanDerWaalsContact O-CB 3.31Å; Y519-K523 WeakPolarHBondContact O-CB 3.41Å; Y519-K523 PolarHBondContact O-N 2.87Å; Y519-Y530 HydrophobicContact CD1-CD2 4.16Å; Y519-Y530 HydrophobicContact CD1-CE2 4.19Å; Y519-Y530 WeakPolarHBondContact O-CD2 3.41Å; Y519-L533 HydrophobicContact CE1-CB 4.18Å; Y519-R534 HydrophobicContact CD1-CG 4.49Å; Y519-V538 WeakPolarHBondContact CE1-O 3.43Å; Y519-V538 PolarHBondContact OH-O 3.31Å; Y519-P540 HydrophobicContact CD1-CG 4.03Å; Y519-P540 HydrophobicContact CD2-CB 3.69Å; Y519-P540 HydrophobicContact CD2-CG 3.73Å; Y519-P540 HydrophobicContact CE1-CG 4.24Å; Y519-P540 VanDerWaalsContact CE2-CA 3.5Å; Y519-P540 HydrophobicContact CE2-CB 3.78Å; Y519-P540 HydrophobicContact CE2-CG 3.97Å; Y519-P540 HydrophobicContact CG-CB 4.25Å; Y519-P540 HydrophobicContact CG-CG 3.77Å
520	A	98.2	Very high	97.7	Very high	20 Å²	20	29.6 Å²	29.6	17%	0.165	16%	0.161	C	C	.	.	H	α-helix	trans	-64.1	-39.4	173.2	0	0	0	0	0	112.5	D516 V517 S524	D516-A520 WeakPolarHBondContact O-CB 3.49Å; D516-A520 PolarHBondContact O-N 3.46Å; V517-A520 PolarHBondContact O-N 3.47Å; A520-S524 PolarHBondContact O-N 3.49Å
521	L	98.2	Very high	97.8	Very high	9 Å²	9	36 Å²	36	5%	0.047	19%	0.189	C	C	.	.	H	α-helix	trans	-69	-44.1	174.9	-67.1	164.2	0	0	0	111.4	V517 L518 K523 S524 I525 F577 I581 I629 L634 Q637	V517-L521 HydrophobicContact CG1-CD1 3.83Å; V517-L521 HydrophobicContact CG1-CG 4.41Å; V517-L521 VanDerWaalsContact O-CG 3.29Å; V517-L521 WeakPolarHBondContact O-CG 3.36Å; V517-L521 PolarHBondContact O-N 3.34Å; L518-L521 PolarHBondContact O-N 2.94Å; L521-K523 VanDerWaalsContact C-N 3.31Å; L521-K523 PolarHBondContact O-N 3.34Å; L521-S524 WeakPolarHBondContact O-CB 3.44Å; L521-S524 PolarHBondContact O-N 3.07Å; L521-S524 VanDerWaalsContact O-N 3.08Å; L521-I525 PolarHBondContact O-N 3.49Å; L521-F577 HydrophobicContact CD1-CB 4.37Å; L521-F577 HydrophobicContact CD1-CD1 3.72Å; L521-F577 HydrophobicContact CD1-CE1 4.35Å; L521-F577 HydrophobicContact CD1-CG 4.26Å; L521-I581 HydrophobicContact CB-CD1 4.06Å; L521-I629 HydrophobicContact CB-CD1 4.37Å; L521-I629 HydrophobicContact CD1-CD1 4.03Å; L521-I629 HydrophobicContact CD2-CD1 4.14Å; L521-I629 HydrophobicContact CD2-CG1 4.18Å; L521-I629 HydrophobicContact CD2-CG2 4.3Å; L521-I629 HydrophobicContact CG-CD1 4.42Å; L521-L634 HydrophobicContact CD1-CD1 3.94Å; L521-Q637 HydrophobicContact CD2-CG 4.09Å; L521-Q637 HydrophobicContact CG-CG 4.44Å
522	L	97.7	Very high	97.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62.3	-37.1	176	-170.4	73.1	0	0	0	112	L518 Y519 S524 H526 I529 L533 L584	L518-L522 VanDerWaalsContact O-CB 3.28Å; L518-L522 WeakPolarHBondContact O-CB 3.43Å; L518-L522 PolarHBondContact O-N 3.5Å; Y519-L522 PolarHBondContact O-N 2.71Å; L522-S524 PolarHBondContact O-N 2.71Å; L522-H526 HydrophobicContact CD1-CB 4.04Å; L522-H526 CarbonylContact O-C 3.19Å; L522-H526 WeakPolarHBondContact O-CA 3.26Å; L522-H526 PolarHBondContact O-N 3.35Å; L522-I529 HydrophobicContact CD1-CB 4.35Å; L522-I529 HydrophobicContact CD1-CG2 4.39Å; L522-I529 HydrophobicContact CD2-CB 4.43Å; L522-I529 HydrophobicContact CD2-CG2 4.08Å; L522-I529 HydrophobicContact CG-CB 4.49Å; L522-L533 HydrophobicContact CD2-CD1 3.75Å; L522-L584 HydrophobicContact CD1-CB 4.48Å; L522-L584 HydrophobicContact CD1-CD1 4.34Å; L522-L584 HydrophobicContact CD2-CD1 4.08Å
523	K	98	Very high	97.9	Very high	122 Å²	122	34.7 Å²	34.7	53%	0.53	18%	0.182	S	C	.	.	H	α-helix	trans	-59.6	-32.5	173.3	-175.7	-179.2	176.9	-176.7	0	112.7	Y519 L521 P527 Y530	Y519-K523 VanDerWaalsContact O-CB 3.31Å; Y519-K523 WeakPolarHBondContact O-CB 3.41Å; Y519-K523 PolarHBondContact O-N 2.87Å; L521-K523 VanDerWaalsContact C-N 3.31Å; L521-K523 PolarHBondContact O-N 3.34Å; K523-P527 WeakPolarHBondContact O-CG 3.41Å; K523-Y530 HydrophobicContact CB-CD1 3.98Å; K523-Y530 HydrophobicContact CB-CD2 3.67Å; K523-Y530 HydrophobicContact CB-CE1 4.3Å; K523-Y530 HydrophobicContact CB-CE2 3.97Å; K523-Y530 HydrophobicContact CB-CG 3.67Å; K523-Y530 HydrophobicContact CD-CD1 4.38Å; K523-Y530 HydrophobicContact CD-CE1 3.93Å; K523-Y530 HydrophobicContact CD-CE2 4.24Å; K523-Y530 HydrophobicContact CG-CD1 3.81Å; K523-Y530 HydrophobicContact CG-CD2 4.31Å; K523-Y530 HydrophobicContact CG-CE1 3.88Å; K523-Y530 HydrophobicContact CG-CE2 4.33Å; K523-Y530 HydrophobicContact CG-CG 4.05Å
524	S	97.2	Very high	97.9	Very high	95 Å²	95	38.7 Å²	38.7	66%	0.664	20%	0.197	S	C	*	.	H	α-helix	trans	-81.1	-51.7	176.9	-168.7	0	0	0	0	111.9	A520 L521 L522	A520-S524 PolarHBondContact O-N 3.49Å; L521-S524 WeakPolarHBondContact O-CB 3.44Å; L521-S524 PolarHBondContact O-N 3.07Å; L521-S524 VanDerWaalsContact O-N 3.08Å; L522-S524 PolarHBondContact O-N 2.71Å
525	I	97.3	Very high	97.9	Very high	38 Å²	38	45.5 Å²	45.5	20%	0.195	23%	0.227	C	C	.	.	H	α-helix	trans	-83.5	-39.6	-168.1	-65.1	164.6	0	0	0	112.1	L521 I581 V627 P628 I629	L521-I525 PolarHBondContact O-N 3.49Å; I525-I581 HydrophobicContact CD1-CD1 4.11Å; I525-I581 HydrophobicContact CG2-CG2 4.25Å; I525-V627 HydrophobicContact CD1-CG1 4.28Å; I525-P628 HydrophobicContact CG1-CG 4.47Å; I525-I629 HydrophobicContact CD1-CD1 3.81Å; I525-I629 HydrophobicContact CD1-CG1 3.49Å; I525-I629 VanDerWaalsContact CD1-CG1 3.49Å
526	H	97.6	Very high	97.8	Very high	47 Å²	47	47.8 Å²	47.8	22%	0.218	24%	0.236	C	C	.	.			trans	-133.7	66.5	178.1	-61.1	-34.2	0	0	0	112	L522 P528 I529 Y530	L522-H526 HydrophobicContact CD1-CB 4.04Å; L522-H526 CarbonylContact O-C 3.19Å; L522-H526 WeakPolarHBondContact O-CA 3.26Å; L522-H526 PolarHBondContact O-N 3.35Å; H526-P528 VanDerWaalsContact C-N 3.29Å; H526-P528 VanDerWaalsContact O-N 3.1Å; H526-I529 HydrophobicContact CB-CB 4.19Å; H526-I529 HydrophobicContact CB-CD1 3.66Å; H526-I529 HydrophobicContact CB-CG1 3.89Å; H526-I529 PolarHBondContact O-N 3.44Å; H526-Y530 PolarHBondContact O-N 2.81Å
527	P	98.1	Very high	97.7	Very high	56 Å²	56	50 Å²	50	36%	0.364	25%	0.253	S	S	.	.	H	α-helix	trans	-49.6	-36.8	-178.8	-18.5	22.7	0	0	0	115.5	K523 I529 K531	K523-P527 WeakPolarHBondContact O-CG 3.41Å; P527-I529 VanDerWaalsContact C-N 3.32Å; P527-I529 PolarHBondContact O-N 3.13Å; P527-K531 WeakPolarHBondContact O-CB 3.26Å; P527-K531 WeakPolarHBondContact O-CG 3.32Å; P527-K531 PolarHBondContact O-N 3.1Å
528	P	98.2	Very high	97.7	Very high	70 Å²	70	50 Å²	50	46%	0.455	25%	0.253	S	S	.	.	H	α-helix	trans	-64.7	-30.1	175.9	-24.2	36	0	0	0	114.6	H526 F532	H526-P528 VanDerWaalsContact C-N 3.29Å; H526-P528 VanDerWaalsContact O-N 3.1Å; P528-F532 WeakPolarHBondContact O-CB 3.42Å; P528-F532 PolarHBondContact O-N 3.35Å
529	I	98.2	Very high	97.6	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.01	27%	0.269	C	S	.	.	H	α-helix	trans	-77.1	-47.6	177.5	-52.7	179.6	0	0	0	109.4	L522 H526 P527 K531 F532 L533 N585 F588	L522-I529 HydrophobicContact CD1-CB 4.35Å; L522-I529 HydrophobicContact CD1-CG2 4.39Å; L522-I529 HydrophobicContact CD2-CB 4.43Å; L522-I529 HydrophobicContact CD2-CG2 4.08Å; L522-I529 HydrophobicContact CG-CB 4.49Å; H526-I529 HydrophobicContact CB-CB 4.19Å; H526-I529 HydrophobicContact CB-CD1 3.66Å; H526-I529 HydrophobicContact CB-CG1 3.89Å; H526-I529 PolarHBondContact O-N 3.44Å; P527-I529 VanDerWaalsContact C-N 3.32Å; P527-I529 PolarHBondContact O-N 3.13Å; I529-K531 VanDerWaalsContact C-N 3.31Å; I529-K531 PolarHBondContact O-N 3.26Å; I529-F532 WeakPolarHBondContact O-CB 3.2Å; I529-F532 PolarHBondContact O-N 3.29Å; I529-L533 HydrophobicContact CG2-CD1 4.14Å; I529-L533 HydrophobicContact CG2-CG 4.29Å; I529-L533 WeakPolarHBondContact O-CG 3.47Å; I529-L533 PolarHBondContact O-N 2.71Å; I529-N585 HydrophobicContact CD1-CB 4.26Å; I529-F588 HydrophobicContact CG2-CB 3.96Å
530	Y	98.4	Very high	97.5	Very high	57 Å²	57	53.6 Å²	53.6	22%	0.224	27%	0.271	C	S	.	.	H	α-helix	trans	-53.7	-47.5	173.8	168.5	-90	0	0	0	111.9	Y519 K523 H526 F532 L533 R534	Y519-Y530 HydrophobicContact CD1-CD2 4.16Å; Y519-Y530 HydrophobicContact CD1-CE2 4.19Å; Y519-Y530 WeakPolarHBondContact O-CD2 3.41Å; K523-Y530 HydrophobicContact CB-CD1 3.98Å; K523-Y530 HydrophobicContact CB-CD2 3.67Å; K523-Y530 HydrophobicContact CB-CE1 4.3Å; K523-Y530 HydrophobicContact CB-CE2 3.97Å; K523-Y530 HydrophobicContact CB-CG 3.67Å; K523-Y530 HydrophobicContact CD-CD1 4.38Å; K523-Y530 HydrophobicContact CD-CE1 3.93Å; K523-Y530 HydrophobicContact CD-CE2 4.24Å; K523-Y530 HydrophobicContact CG-CD1 3.81Å; K523-Y530 HydrophobicContact CG-CD2 4.31Å; K523-Y530 HydrophobicContact CG-CE1 3.88Å; K523-Y530 HydrophobicContact CG-CE2 4.33Å; K523-Y530 HydrophobicContact CG-CG 4.05Å; H526-Y530 PolarHBondContact O-N 2.81Å; Y530-F532 VanDerWaalsContact C-N 3.28Å; Y530-F532 PolarHBondContact O-N 3.11Å; Y530-L533 PolarHBondContact O-N 3.12Å; Y530-R534 HydrophobicContact CD2-CG 4.28Å; Y530-R534 HydrophobicContact CE1-CG 4.11Å; Y530-R534 HydrophobicContact CE2-CG 3.85Å; Y530-R534 WeakPolarHBondContact O-CB 3.45Å; Y530-R534 WeakPolarHBondContact O-CG 3.5Å; Y530-R534 PolarHBondContact O-N 3.15Å
531	K	97.9	Very high	97.3	Very high	151 Å²	151	54.6 Å²	54.6	66%	0.657	27%	0.273	S	S	*	.	H	α-helix	trans	-61.6	-35.3	177.2	-75.8	-179.2	178.9	-173.8	0	112.6	P527 I529 K535	P527-K531 WeakPolarHBondContact O-CB 3.26Å; P527-K531 WeakPolarHBondContact O-CG 3.32Å; P527-K531 PolarHBondContact O-N 3.1Å; I529-K531 VanDerWaalsContact C-N 3.31Å; I529-K531 PolarHBondContact O-N 3.26Å; K531-K535 WeakPolarHBondContact O-CB 3.33Å; K531-K535 PolarHBondContact O-N 3.39Å
532	F	97.8	Very high	97.2	Very high	16 Å²	16	58 Å²	58	7%	0.07	29%	0.288	C	S	.	.	H	α-helix	trans	-70.8	-49.7	177.6	165.2	-101.8	0	0	0	112.2	P528 I529 Y530 R534 K535 Y536 F588 R594 C597 I603	P528-F532 WeakPolarHBondContact O-CB 3.42Å; P528-F532 PolarHBondContact O-N 3.35Å; I529-F532 WeakPolarHBondContact O-CB 3.2Å; I529-F532 PolarHBondContact O-N 3.29Å; Y530-F532 VanDerWaalsContact C-N 3.28Å; Y530-F532 PolarHBondContact O-N 3.11Å; F532-R534 VanDerWaalsContact C-N 3.35Å; F532-R534 PolarHBondContact O-N 3.39Å; F532-K535 WeakPolarHBondContact O-CB 3.37Å; F532-K535 PolarHBondContact O-N 2.78Å; F532-K535 VanDerWaalsContact O-N 3.09Å; F532-Y536 AromaticContact CD2-CD2 3.86Å; F532-Y536 HydrophobicContact CD2-CD2 3.86Å; F532-Y536 AromaticContact CD2-CE2 3.77Å; F532-Y536 HydrophobicContact CD2-CE2 3.77Å; F532-Y536 AromaticContact CE2-CD2 3.74Å; F532-Y536 HydrophobicContact CE2-CD2 3.74Å; F532-Y536 AromaticContact CE2-CE2 3.56Å; F532-Y536 HydrophobicContact CE2-CE2 3.56Å; F532-Y536 HydrophobicContact CZ-CD2 4.41Å; F532-Y536 WeakPolarHBondContact O-CD2 3.45Å; F532-Y536 PolarHBondContact O-N 2.9Å; F532-F588 HydrophobicContact CD1-CB 4.45Å; F532-F588 HydrophobicContact CD1-CD1 4.48Å; F532-F588 HydrophobicContact CD1-CG 4.46Å; F532-F588 HydrophobicContact CE1-CB 4.36Å; F532-F588 AromaticContact CE1-CD1 3.61Å; F532-F588 HydrophobicContact CE1-CD1 3.61Å; F532-F588 HydrophobicContact CE1-CE1 4.06Å; F532-F588 AromaticContact CE1-CG 3.98Å; F532-F588 HydrophobicContact CE1-CG 3.98Å; F532-F588 HydrophobicContact CZ-CD1 4.23Å; F532-R594 HydrophobicContact CD1-CG 3.98Å; F532-R594 HydrophobicContact CD2-CB 3.8Å; F532-R594 HydrophobicContact CD2-CG 4.05Å; F532-R594 HydrophobicContact CE1-CG 4.13Å; F532-R594 HydrophobicContact CE2-CB 3.76Å; F532-R594 HydrophobicContact CE2-CG 4.19Å; F532-R594 VanDerWaalsContact CE2-O 3.28Å; F532-R594 WeakPolarHBondContact CE2-O 3.41Å; F532-R594 HydrophobicContact CG-CB 4.21Å; F532-R594 HydrophobicContact CG-CG 3.94Å; F532-R594 HydrophobicContact CZ-CB 4.15Å; F532-R594 HydrophobicContact CZ-CG 4.22Å; F532-C597 HydrophobicContact CE2-CB 4.29Å; F532-C597 HydrophobicContact CZ-CB 3.87Å; F532-I603 HydrophobicContact CE1-CD1 3.82Å; F532-I603 HydrophobicContact CE1-CG1 4.11Å; F532-I603 HydrophobicContact CE1-CG2 4.49Å; F532-I603 HydrophobicContact CE2-CD1 4.18Å; F532-I603 HydrophobicContact CZ-CD1 3.53Å; F532-I603 HydrophobicContact CZ-CG1 3.78Å
533	L	97.7	Very high	97.1	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-59.8	-44.6	177.9	-64.2	179	0	0	0	111.2	Y519 L522 I529 Y530 K535 Y536 S537 V538 L584 F588 I603	Y519-L533 HydrophobicContact CE1-CB 4.18Å; L522-L533 HydrophobicContact CD2-CD1 3.75Å; I529-L533 HydrophobicContact CG2-CD1 4.14Å; I529-L533 HydrophobicContact CG2-CG 4.29Å; I529-L533 WeakPolarHBondContact O-CG 3.47Å; I529-L533 PolarHBondContact O-N 2.71Å; Y530-L533 PolarHBondContact O-N 3.12Å; L533-K535 VanDerWaalsContact C-N 3.34Å; L533-K535 PolarHBondContact O-N 2.96Å; L533-Y536 PolarHBondContact O-N 3.18Å; L533-S537 PolarHBondContact O-N 3.01Å; L533-V538 HydrophobicContact CB-CB 4.12Å; L533-V538 HydrophobicContact CB-CG2 4.42Å; L533-V538 HydrophobicContact CD2-CB 4.24Å; L533-V538 HydrophobicContact CD2-CG1 4.3Å; L533-V538 HydrophobicContact CD2-CG2 4.04Å; L533-V538 PolarHBondContact O-N 3.47Å; L533-L584 HydrophobicContact CD1-CD2 4.33Å; L533-F588 HydrophobicContact CD2-CD2 4.43Å; L533-F588 HydrophobicContact CD2-CE2 4.47Å; L533-I603 HydrophobicContact CD2-CG2 3.95Å
534	R	97.3	Very high	97	Very high	95 Å²	95	52.2 Å²	52.2	36%	0.358	26%	0.263	S	S	.	.	H	α-helix	trans	-68.1	-25.4	174.8	-65.9	-54.9	-57.5	-176.1	16.9	114.2	Y519 Y530 F532 Y536 E539	Y519-R534 HydrophobicContact CD1-CG 4.49Å; Y530-R534 HydrophobicContact CD2-CG 4.28Å; Y530-R534 HydrophobicContact CE1-CG 4.11Å; Y530-R534 HydrophobicContact CE2-CG 3.85Å; Y530-R534 WeakPolarHBondContact O-CB 3.45Å; Y530-R534 WeakPolarHBondContact O-CG 3.5Å; Y530-R534 PolarHBondContact O-N 3.15Å; F532-R534 VanDerWaalsContact C-N 3.35Å; F532-R534 PolarHBondContact O-N 3.39Å; R534-Y536 VanDerWaalsContact C-N 3.34Å; R534-E539 IonicContact CZ-OE1 3.84Å; R534-E539 IonicContact CZ-OE2 2.78Å; R534-E539 IonicContact NH1-OE1 2.88Å; R534-E539 PolarHBondContact NH1-OE1 3.32Å; R534-E539 IonicContact NH1-OE2 3.85Å; R534-E539 PolarHBondContact NH1-OE2 3.36Å; R534-E539 IonicContact NH2-OE1 2.95Å; R534-E539 PolarHBondContact NH2-OE1 2.81Å; R534-E539 IonicContact NH2-OE2 3.93Å
535	K	96.7	Very high	96.8	Very high	144 Å²	144	49.1 Å²	49.1	63%	0.626	24%	0.239	S	C	*	.	H	α-helix	trans	-66.5	-38	174.7	-177	-158.5	164.5	-159.7	0	111.2	K531 F532 L533	K531-K535 WeakPolarHBondContact O-CB 3.33Å; K531-K535 PolarHBondContact O-N 3.39Å; F532-K535 WeakPolarHBondContact O-CB 3.37Å; F532-K535 PolarHBondContact O-N 2.78Å; F532-K535 VanDerWaalsContact O-N 3.09Å; L533-K535 VanDerWaalsContact C-N 3.34Å; L533-K535 PolarHBondContact O-N 2.96Å
536	Y	96.7	Very high	96.5	Very high	48 Å²	48	50.5 Å²	50.5	19%	0.188	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	18.3	-177	-71.6	-76.8	0	0	0	113.4	F532 L533 R534 V538 Q598 I603	F532-Y536 AromaticContact CD2-CD2 3.86Å; F532-Y536 HydrophobicContact CD2-CD2 3.86Å; F532-Y536 AromaticContact CD2-CE2 3.77Å; F532-Y536 HydrophobicContact CD2-CE2 3.77Å; F532-Y536 AromaticContact CE2-CD2 3.74Å; F532-Y536 HydrophobicContact CE2-CD2 3.74Å; F532-Y536 AromaticContact CE2-CE2 3.56Å; F532-Y536 HydrophobicContact CE2-CE2 3.56Å; F532-Y536 HydrophobicContact CZ-CD2 4.41Å; F532-Y536 WeakPolarHBondContact O-CD2 3.45Å; F532-Y536 PolarHBondContact O-N 2.9Å; L533-Y536 PolarHBondContact O-N 3.18Å; R534-Y536 VanDerWaalsContact C-N 3.34Å; Y536-V538 PolarHBondContact O-N 3.44Å; Y536-V538 VanDerWaalsContact O-N 3.12Å; Y536-Q598 WeakPolarHBondContact CE1-O 3.25Å; Y536-I603 HydrophobicContact CD2-CD1 3.76Å; Y536-I603 HydrophobicContact CG-CD1 3.69Å
537	S	96.3	Very high	96.4	Very high	76 Å²	76	48.8 Å²	48.8	53%	0.531	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	34.4	-179.8	-56.6	0	0	0	0	114.2	L533 E539	L533-S537 PolarHBondContact O-N 3.01Å; S537-E539 PolarHBondContact O-N 3.22Å; S537-E539 VanDerWaalsContact O-N 3.17Å
538	V	97.3	Very high	96.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.219	C	C	.	.			trans	-72.8	108.3	169.1	-169.6	0	0	0	0	106.6	Y519 L533 Y536 F542 L600 I603 L607	Y519-V538 WeakPolarHBondContact CE1-O 3.43Å; Y519-V538 PolarHBondContact OH-O 3.31Å; L533-V538 HydrophobicContact CB-CB 4.12Å; L533-V538 HydrophobicContact CB-CG2 4.42Å; L533-V538 HydrophobicContact CD2-CB 4.24Å; L533-V538 HydrophobicContact CD2-CG1 4.3Å; L533-V538 HydrophobicContact CD2-CG2 4.04Å; L533-V538 PolarHBondContact O-N 3.47Å; Y536-V538 PolarHBondContact O-N 3.44Å; Y536-V538 VanDerWaalsContact O-N 3.12Å; V538-F542 HydrophobicContact CG1-CD2 4.29Å; V538-L600 HydrophobicContact CB-CD1 4.42Å; V538-L600 HydrophobicContact CG2-CD1 3.74Å; V538-I603 HydrophobicContact CG2-CB 4.36Å; V538-I603 HydrophobicContact CG2-CD1 3.96Å; V538-I603 HydrophobicContact CG2-CG2 3.9Å; V538-L607 HydrophobicContact CG1-CD1 4.34Å
539	E	96.2	Very high	96.3	Very high	73 Å²	73	42.8 Å²	42.8	34%	0.341	20%	0.197	S	C	.	.			trans	-82.2	151.7	175.9	-70.1	-57.1	152.8	0	0	111.1	R534 S537 N541 F542	R534-E539 IonicContact CZ-OE1 3.84Å; R534-E539 IonicContact CZ-OE2 2.78Å; R534-E539 IonicContact NH1-OE1 2.88Å; R534-E539 PolarHBondContact NH1-OE1 3.32Å; R534-E539 IonicContact NH1-OE2 3.85Å; R534-E539 PolarHBondContact NH1-OE2 3.36Å; R534-E539 IonicContact NH2-OE1 2.95Å; R534-E539 PolarHBondContact NH2-OE1 2.81Å; R534-E539 IonicContact NH2-OE2 3.93Å; S537-E539 PolarHBondContact O-N 3.22Å; S537-E539 VanDerWaalsContact O-N 3.17Å; E539-N541 PolarHBondContact O-N 3.16Å; E539-N541 VanDerWaalsContact O-N 3.16Å; E539-F542 HydrophobicContact CB-CD2 4.42Å; E539-F542 HydrophobicContact CB-CE2 4.31Å; E539-F542 PolarHBondContact O-N 3.2Å; E539-F542 VanDerWaalsContact O-N 3.15Å
540	P	96.9	Very high	96.2	Very high	7 Å²	7	42.8 Å²	42.8	5%	0.045	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-35.1	-173.2	-23.5	31	0	0	0	114.3	G515 Y519 F542 V543 V544	G515-P540 WeakPolarHBondContact O-CB 3.3Å; Y519-P540 HydrophobicContact CD1-CG 4.03Å; Y519-P540 HydrophobicContact CD2-CB 3.69Å; Y519-P540 HydrophobicContact CD2-CG 3.73Å; Y519-P540 HydrophobicContact CE1-CG 4.24Å; Y519-P540 VanDerWaalsContact CE2-CA 3.5Å; Y519-P540 HydrophobicContact CE2-CB 3.78Å; Y519-P540 HydrophobicContact CE2-CG 3.97Å; Y519-P540 HydrophobicContact CG-CB 4.25Å; Y519-P540 HydrophobicContact CG-CG 3.77Å; P540-F542 PolarHBondContact O-N 3.41Å; P540-V543 WeakPolarHBondContact O-CB 3.41Å; P540-V543 PolarHBondContact O-N 3.1Å; P540-V544 PolarHBondContact O-N 3.14Å
541	N	94.1	Very high	96.2	Very high	40 Å²	40	40 Å²	40	21%	0.214	19%	0.186	C	C	.	.	H	α-helix	trans	-57.7	-33.9	-179.2	-67	-0.4	0	0	0	112.8	Q512 E539 V543 L545	Q512-N541 PolarHBondContact OE1-ND2 2.95Å; E539-N541 PolarHBondContact O-N 3.16Å; E539-N541 VanDerWaalsContact O-N 3.16Å; N541-V543 PolarHBondContact O-N 2.93Å; N541-V543 VanDerWaalsContact O-N 3.16Å; N541-L545 HydrophobicContact CB-CD1 3.93Å; N541-L545 HydrophobicContact CB-CG 4.15Å; N541-L545 WeakPolarHBondContact O-CB 3.42Å; N541-L545 VanDerWaalsContact O-CG 3.31Å; N541-L545 WeakPolarHBondContact O-CG 3.2Å; N541-L545 PolarHBondContact O-N 2.68Å; N541-L545 VanDerWaalsContact O-N 3.15Å
542	F	95.6	Very high	96.1	Very high	81 Å²	81	32.9 Å²	32.9	36%	0.355	16%	0.155	S	C	.	.	H	α-helix	trans	-65.1	-16	176.2	-57.7	-30.9	0	0	0	113.4	M272 V538 E539 P540 L604	M272-F542 HydrophobicContact SD-CD1 4.32Å; V538-F542 HydrophobicContact CG1-CD2 4.29Å; E539-F542 HydrophobicContact CB-CD2 4.42Å; E539-F542 HydrophobicContact CB-CE2 4.31Å; E539-F542 PolarHBondContact O-N 3.2Å; E539-F542 VanDerWaalsContact O-N 3.15Å; P540-F542 PolarHBondContact O-N 3.41Å; F542-L604 HydrophobicContact CB-CD2 3.97Å; F542-L604 HydrophobicContact CD2-CD2 4.08Å; F542-L604 HydrophobicContact CG-CD2 4.18Å
543	V	95.6	Very high	96	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	15%	0.152	C	C	.	.	H	α-helix	trans	-100.8	-52.4	174.7	-175	0	0	0	0	110.5	L518 P540 N541 W547 L584 L607	L518-V543 HydrophobicContact CD2-CG1 4.24Å; P540-V543 WeakPolarHBondContact O-CB 3.41Å; P540-V543 PolarHBondContact O-N 3.1Å; N541-V543 PolarHBondContact O-N 2.93Å; N541-V543 VanDerWaalsContact O-N 3.16Å; V543-W547 HydrophobicContact CG1-CD2 3.95Å; V543-W547 HydrophobicContact CG1-CE3 3.57Å; V543-W547 HydrophobicContact CG1-CH2 3.84Å; V543-W547 HydrophobicContact CG1-CZ2 4.19Å; V543-W547 HydrophobicContact CG1-CZ3 3.5Å; V543-W547 WeakPolarHBondContact O-CB 3.03Å; V543-L584 HydrophobicContact CG1-CD2 4.5Å; V543-L607 HydrophobicContact CG2-CD1 4.07Å; V543-L607 HydrophobicContact CG2-CD2 4.17Å
544	V	95.5	Very high	95.8	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-80.3	-26.9	-167.7	-62.7	0	0	0	0	115.1	V511 L518 P540 E546 W547 F548	V511-V544 HydrophobicContact CG2-CB 4.44Å; V511-V544 HydrophobicContact CG2-CG2 4.18Å; V511-V544 WeakPolarHBondContact O-CG2 3.15Å; L518-V544 HydrophobicContact CB-CG1 4.44Å; L518-V544 HydrophobicContact CD2-CG1 3.57Å; P540-V544 PolarHBondContact O-N 3.14Å; V544-E546 PolarHBondContact O-N 2.77Å; V544-W547 PolarHBondContact O-N 3.43Å; V544-F548 HydrophobicContact CB-CB 4.38Å; V544-F548 HydrophobicContact CB-CD1 4.43Å; V544-F548 HydrophobicContact CB-CD2 3.87Å; V544-F548 HydrophobicContact CB-CE2 4.24Å; V544-F548 HydrophobicContact CB-CG 3.98Å; V544-F548 HydrophobicContact CG1-CD1 4.34Å; V544-F548 HydrophobicContact CG1-CD2 3.86Å; V544-F548 HydrophobicContact CG1-CE1 4.19Å; V544-F548 HydrophobicContact CG1-CE2 3.7Å; V544-F548 HydrophobicContact CG1-CG 4.19Å; V544-F548 HydrophobicContact CG1-CZ 3.87Å; V544-F548 VanDerWaalsContact O-CB 3.31Å; V544-F548 WeakPolarHBondContact O-CB 3.12Å; V544-F548 PolarHBondContact O-N 3.11Å
545	L	93.3	Very high	95.5	Very high	29 Å²	29	30.8 Å²	30.8	15%	0.152	15%	0.148	C	C	.	.	H	α-helix	trans	-59.4	-46.1	-170.9	-76.8	175	0	0	0	113	F273 L508 V511 N541 M549	F273-L545 HydrophobicContact CZ-CB 4.38Å; L508-L545 HydrophobicContact CD1-CD2 4.35Å; V511-L545 HydrophobicContact CG1-CD2 4Å; N541-L545 HydrophobicContact CB-CD1 3.93Å; N541-L545 HydrophobicContact CB-CG 4.15Å; N541-L545 WeakPolarHBondContact O-CB 3.42Å; N541-L545 VanDerWaalsContact O-CG 3.31Å; N541-L545 WeakPolarHBondContact O-CG 3.2Å; N541-L545 PolarHBondContact O-N 2.68Å; N541-L545 VanDerWaalsContact O-N 3.15Å; L545-M549 WeakPolarHBondContact O-CB 3.31Å; L545-M549 WeakPolarHBondContact O-CG 3.36Å
546	E	90.6	Very high	95.5	Very high	68 Å²	68	24 Å²	24	32%	0.318	12%	0.118	S	C	.	.	H	α-helix	trans	-81.8	-39.6	174.3	-167	171.2	-148.2	0	0	112.3	V544 F548 C550 R554 T555	V544-E546 PolarHBondContact O-N 2.77Å; E546-F548 PolarHBondContact O-N 2.62Å; E546-C550 WeakPolarHBondContact O-CB 3.48Å; E546-C550 PolarHBondContact O-N 2.79Å; E546-R554 HydrophobicContact CG-CB 4.3Å; E546-R554 IonicContact OE1-CZ 2.63Å; E546-R554 IonicContact OE1-NE 3.72Å; E546-R554 PolarHBondContact OE1-NE 3.49Å; E546-R554 IonicContact OE1-NH2 2.7Å; E546-T555 HydrophobicContact CB-CG2 4.4Å; E546-T555 HydrophobicContact CG-CG2 3.77Å; E546-T555 WeakPolarHBondContact OE2-CG2 3.26Å
547	W	97.1	Very high	95.3	Very high	10 Å²	10	23.7 Å²	23.7	4%	0.038	12%	0.122	C	C	.	.	H	α-helix	trans	-65.8	-40.9	-173.3	-69.1	18.5	0	0	0	112.6	V543 V544 A551 Y552 A580 L583 L584 L607 V610	V543-W547 HydrophobicContact CG1-CD2 3.95Å; V543-W547 HydrophobicContact CG1-CE3 3.57Å; V543-W547 HydrophobicContact CG1-CH2 3.84Å; V543-W547 HydrophobicContact CG1-CZ2 4.19Å; V543-W547 HydrophobicContact CG1-CZ3 3.5Å; V543-W547 WeakPolarHBondContact O-CB 3.03Å; V544-W547 PolarHBondContact O-N 3.43Å; W547-A551 PolarHBondContact O-N 3.24Å; W547-Y552 HydrophobicContact CB-CD1 4.16Å; W547-Y552 HydrophobicContact CB-CE1 3.63Å; W547-Y552 AromaticContact CD2-CE1 3.84Å; W547-Y552 HydrophobicContact CD2-CE1 3.84Å; W547-Y552 AromaticContact CE3-CE1 3.78Å; W547-Y552 HydrophobicContact CE3-CE1 3.78Å; W547-Y552 HydrophobicContact CG-CD1 4.3Å; W547-Y552 AromaticContact CG-CE1 3.79Å; W547-Y552 HydrophobicContact CG-CE1 3.79Å; W547-Y552 PolarHBondContact O-N 3.29Å; W547-A580 HydrophobicContact CE3-CB 3.91Å; W547-A580 HydrophobicContact CZ3-CB 3.96Å; W547-L583 HydrophobicContact CE3-CD1 4.22Å; W547-L583 HydrophobicContact CH2-CB 3.91Å; W547-L583 HydrophobicContact CH2-CD1 4.23Å; W547-L583 HydrophobicContact CZ3-CB 3.97Å; W547-L583 HydrophobicContact CZ3-CD1 3.98Å; W547-L584 HydrophobicContact CH2-CD2 4.28Å; W547-L584 HydrophobicContact CH2-CG 4.38Å; W547-L584 HydrophobicContact CZ3-CG 4.32Å; W547-L607 HydrophobicContact CH2-CD2 4Å; W547-L607 HydrophobicContact CZ2-CD2 3.92Å; W547-V610 HydrophobicContact CH2-CG2 3.99Å; W547-V610 HydrophobicContact CZ2-CB 4.03Å; W547-V610 HydrophobicContact CZ2-CG1 4.11Å; W547-V610 HydrophobicContact CZ2-CG2 3.7Å
548	F	97.8	Very high	95.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-92	-46.5	-175	-73.6	13.8	0	0	0	112	Y503 V511 D514 L518 V544 E546 C550 A551 L576 F577 A580	Y503-F548 HydrophobicContact CE2-CB 3.91Å; V511-F548 HydrophobicContact CG2-CB 4.01Å; D514-F548 HydrophobicContact CB-CD2 4.44Å; D514-F548 HydrophobicContact CB-CE2 4.4Å; L518-F548 HydrophobicContact CD2-CZ 4.24Å; V544-F548 HydrophobicContact CB-CB 4.38Å; V544-F548 HydrophobicContact CB-CD1 4.43Å; V544-F548 HydrophobicContact CB-CD2 3.87Å; V544-F548 HydrophobicContact CB-CE2 4.24Å; V544-F548 HydrophobicContact CB-CG 3.98Å; V544-F548 HydrophobicContact CG1-CD1 4.34Å; V544-F548 HydrophobicContact CG1-CD2 3.86Å; V544-F548 HydrophobicContact CG1-CE1 4.19Å; V544-F548 HydrophobicContact CG1-CE2 3.7Å; V544-F548 HydrophobicContact CG1-CG 4.19Å; V544-F548 HydrophobicContact CG1-CZ 3.87Å; V544-F548 VanDerWaalsContact O-CB 3.31Å; V544-F548 WeakPolarHBondContact O-CB 3.12Å; V544-F548 PolarHBondContact O-N 3.11Å; E546-F548 PolarHBondContact O-N 2.62Å; F548-C550 PolarHBondContact O-N 2.94Å; F548-A551 PolarHBondContact O-N 3.25Å; F548-A551 VanDerWaalsContact O-N 3.11Å; F548-L576 HydrophobicContact CD1-CB 3.98Å; F548-L576 HydrophobicContact CE1-CB 3.87Å; F548-L576 WeakPolarHBondContact CE1-O 3.34Å; F548-L576 HydrophobicContact CZ-CB 4.31Å; F548-F577 HydrophobicContact CE2-CD1 4.18Å; F548-F577 AromaticContact CE2-CE1 3.89Å; F548-F577 HydrophobicContact CE2-CE1 3.89Å; F548-F577 HydrophobicContact CE2-CE2 4.3Å; F548-F577 AromaticContact CE2-CZ 3.95Å; F548-F577 HydrophobicContact CE2-CZ 3.95Å; F548-F577 HydrophobicContact CZ-CD1 4.05Å; F548-F577 HydrophobicContact CZ-CE1 4.23Å; F548-F577 HydrophobicContact CZ-CG 4.24Å; F548-A580 HydrophobicContact CE1-CB 4.07Å; F548-A580 HydrophobicContact CZ-CB 4.43Å
549	M	95.2	Very high	95	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-60.3	-35	179.8	-64.6	-71	-81.1	0	0	112.8	Y503 Y504 L508 V511 L545	Y503-M549 HydrophobicContact CD2-SD 4.38Å; Y503-M549 WeakPolarHBondContact O-CE 3.48Å; Y503-M549 VanDerWaalsContact O-SD 3.42Å; Y504-M549 HydrophobicContact CD1-CE 3.52Å; Y504-M549 HydrophobicContact CD1-SD 4.33Å; Y504-M549 HydrophobicContact CE1-CE 3.64Å; Y504-M549 HydrophobicContact CE1-SD 4.07Å; Y504-M549 PolarHBondContact OH-O 2.93Å; L508-M549 HydrophobicContact CD1-CE 4.47Å; L508-M549 HydrophobicContact CD2-CE 3.7Å; V511-M549 HydrophobicContact CB-SD 4.05Å; V511-M549 HydrophobicContact CG1-CG 4.33Å; V511-M549 HydrophobicContact CG1-SD 3.71Å; V511-M549 HydrophobicContact CG2-CG 4.21Å; V511-M549 HydrophobicContact CG2-SD 4.22Å; L545-M549 WeakPolarHBondContact O-CB 3.31Å; L545-M549 WeakPolarHBondContact O-CG 3.36Å
550	C	96.2	Very high	95	Very high	2 Å²	2	18 Å²	18	1%	0.014	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	10.1	179.8	-55.8	0	0	0	0	112.6	P474 E546 F548 Y552 T553 R554	P474-C550 HydrophobicContact CB-CB 4.39Å; P474-C550 HydrophobicContact CG-CB 4.47Å; E546-C550 WeakPolarHBondContact O-CB 3.48Å; E546-C550 PolarHBondContact O-N 2.79Å; F548-C550 PolarHBondContact O-N 2.94Å; C550-Y552 VanDerWaalsContact C-N 3.26Å; C550-Y552 PolarHBondContact O-N 2.75Å; C550-Y552 VanDerWaalsContact O-N 3.12Å; C550-T553 VanDerWaalsContact O-CB 3.32Å; C550-T553 WeakPolarHBondContact O-CB 3.41Å; C550-T553 WeakPolarHBondContact O-CG2 3.35Å; C550-T553 PolarHBondContact O-N 2.88Å; C550-T553 PolarHBondContact O-OG1 2.86Å; C550-R554 HydrophobicContact CB-CG 4.12Å
551	A	97.6	Very high	95	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	41.1	50	-177.7	0	0	0	0	0	113.8	L475 W547 F548 T553 W565 L576	L475-A551 HydrophobicContact CD2-CB 3.74Å; W547-A551 PolarHBondContact O-N 3.24Å; F548-A551 PolarHBondContact O-N 3.25Å; F548-A551 VanDerWaalsContact O-N 3.11Å; A551-T553 PolarHBondContact O-N 3.06Å; A551-T553 VanDerWaalsContact O-N 3.08Å; A551-W565 HydrophobicContact CB-CZ2 4.3Å; A551-W565 PolarHBondContact O-NE1 2.94Å; A551-L576 HydrophobicContact CB-CD2 4.4Å
552	Y	97.4	Very high	95.1	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	-1.1	-176.4	-60.2	-82	0	0	0	118.4	W547 C550 R554 T555 L556 V561 I564 L576 V579 A580 L583	W547-Y552 HydrophobicContact CB-CD1 4.16Å; W547-Y552 HydrophobicContact CB-CE1 3.63Å; W547-Y552 AromaticContact CD2-CE1 3.84Å; W547-Y552 HydrophobicContact CD2-CE1 3.84Å; W547-Y552 AromaticContact CE3-CE1 3.78Å; W547-Y552 HydrophobicContact CE3-CE1 3.78Å; W547-Y552 HydrophobicContact CG-CD1 4.3Å; W547-Y552 AromaticContact CG-CE1 3.79Å; W547-Y552 HydrophobicContact CG-CE1 3.79Å; W547-Y552 PolarHBondContact O-N 3.29Å; C550-Y552 VanDerWaalsContact C-N 3.26Å; C550-Y552 PolarHBondContact O-N 2.75Å; C550-Y552 VanDerWaalsContact O-N 3.12Å; Y552-R554 PolarHBondContact O-N 3.41Å; Y552-T555 PolarHBondContact O-N 2.84Å; Y552-T555 PolarHBondContact O-OG1 3.43Å; Y552-L556 HydrophobicContact CD1-CD1 3.57Å; Y552-L556 HydrophobicContact CD1-CG 3.88Å; Y552-L556 HydrophobicContact CE1-CD1 4.39Å; Y552-L556 HydrophobicContact CG-CD1 3.78Å; Y552-L556 HydrophobicContact CG-CG 4.3Å; Y552-L556 PolarHBondContact O-N 2.73Å; Y552-V561 WeakPolarHBondContact O-CG2 3.24Å; Y552-I564 HydrophobicContact CD2-CG2 4.25Å; Y552-I564 HydrophobicContact CG-CD1 4.47Å; Y552-L576 HydrophobicContact CD2-CD2 3.93Å; Y552-L576 HydrophobicContact CE2-CB 4.22Å; Y552-L576 HydrophobicContact CE2-CD2 3.72Å; Y552-L576 PolarHBondContact OH-O 2.74Å; Y552-V579 HydrophobicContact CD1-CG1 4.04Å; Y552-V579 HydrophobicContact CD2-CG1 4.09Å; Y552-V579 HydrophobicContact CE1-CB 4.48Å; Y552-V579 HydrophobicContact CE1-CG1 3.55Å; Y552-V579 HydrophobicContact CE2-CB 3.83Å; Y552-V579 HydrophobicContact CE2-CG1 3.62Å; Y552-V579 HydrophobicContact CG-CG1 4.28Å; Y552-A580 WeakPolarHBondContact OH-CA 3.06Å; Y552-A580 WeakPolarHBondContact OH-CB 3.44Å; Y552-A580 PolarHBondContact OH-N 2.93Å; Y552-A580 VanDerWaalsContact OH-N 3.14Å; Y552-L583 HydrophobicContact CD1-CD1 4.28Å; Y552-L583 HydrophobicContact CE1-CD1 3.74Å
553	T	95.4	Very high	95.1	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-22.7	-174.6	60	0	0	0	0	114.9	P474 L475 V478 C550 A551 V561 W565	P474-T553 WeakPolarHBondContact CB-OG1 3.44Å; L475-T553 HydrophobicContact CD2-CG2 4.28Å; V478-T553 HydrophobicContact CG2-CG2 3.67Å; C550-T553 VanDerWaalsContact O-CB 3.32Å; C550-T553 WeakPolarHBondContact O-CB 3.41Å; C550-T553 WeakPolarHBondContact O-CG2 3.35Å; C550-T553 PolarHBondContact O-N 2.88Å; C550-T553 PolarHBondContact O-OG1 2.86Å; A551-T553 PolarHBondContact O-N 3.06Å; A551-T553 VanDerWaalsContact O-N 3.08Å; T553-V561 HydrophobicContact CG2-CG1 3.82Å; T553-W565 HydrophobicContact CG2-CH2 4.36Å; T553-W565 HydrophobicContact CG2-CZ2 3.34Å
554	R	92.2	Very high	95.2	Very high	60 Å²	60	13 Å²	13	23%	0.226	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-18.2	178.1	-65.6	-176.5	58	80.2	7.4	114.5	Q32 P474 E546 C550 Y552	Q32-R554 PolarHBondContact NE2-O 2.72Å; P474-R554 HydrophobicContact CB-CG 4.3Å; P474-R554 HydrophobicContact CG-CG 4.17Å; E546-R554 HydrophobicContact CG-CB 4.3Å; E546-R554 IonicContact OE1-CZ 2.63Å; E546-R554 IonicContact OE1-NE 3.72Å; E546-R554 PolarHBondContact OE1-NE 3.49Å; E546-R554 IonicContact OE1-NH2 2.7Å; C550-R554 HydrophobicContact CB-CG 4.12Å; Y552-R554 PolarHBondContact O-N 3.41Å
555	T	92.7	Very high	95.4	Very high	8 Å²	8	13 Å²	13	5%	0.049	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117	-21.2	-163.2	55.6	0	0	0	0	115.2	E546 Y552	E546-T555 HydrophobicContact CB-CG2 4.4Å; E546-T555 HydrophobicContact CG-CG2 3.77Å; E546-T555 WeakPolarHBondContact OE2-CG2 3.26Å; Y552-T555 PolarHBondContact O-N 2.84Å; Y552-T555 PolarHBondContact O-OG1 3.43Å
556	L	95.2	Very high	95.6	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.005	6%	0.057	C	C	.	.	S	Bend	trans	-113.6	156.9	-179.5	-57.8	-177.2	0	0	0	111.9	Y552 A560 V561 I564 V579 L583 V610 V614 F620	Y552-L556 HydrophobicContact CD1-CD1 3.57Å; Y552-L556 HydrophobicContact CD1-CG 3.88Å; Y552-L556 HydrophobicContact CE1-CD1 4.39Å; Y552-L556 HydrophobicContact CG-CD1 3.78Å; Y552-L556 HydrophobicContact CG-CG 4.3Å; Y552-L556 PolarHBondContact O-N 2.73Å; L556-A560 HydrophobicContact CB-CB 4.44Å; L556-V561 HydrophobicContact CB-CG2 4.17Å; L556-V561 WeakPolarHBondContact O-CG2 3.21Å; L556-I564 HydrophobicContact CD1-CD1 3.35Å; L556-V579 HydrophobicContact CD1-CG1 4.15Å; L556-L583 HydrophobicContact CD1-CD1 4.23Å; L556-L583 HydrophobicContact CD2-CD1 3.95Å; L556-L583 HydrophobicContact CD2-CD2 4.07Å; L556-V610 HydrophobicContact CD2-CG1 4.36Å; L556-V610 HydrophobicContact CD2-CG2 4.23Å; L556-V614 HydrophobicContact CD2-CG2 3.81Å; L556-F620 HydrophobicContact CD1-CZ 4.32Å
557	P	93.8	Very high	95.9	Very high	41 Å²	41	8.4 Å²	8.4	27%	0.266	4%	0.042	S	C	.	.			trans	-56.9	144.8	174.5	-23.1	34.7	0	0	0	111.2	T559 A560 V561 V614	P557-T559 PolarHBondContact O-N 2.82Å; P557-A560 WeakPolarHBondContact O-CA 3.29Å; P557-A560 VanDerWaalsContact O-CB 3.28Å; P557-A560 WeakPolarHBondContact O-CB 3.22Å; P557-A560 PolarHBondContact O-N 3.41Å; P557-V561 PolarHBondContact O-N 3.26Å; P557-V561 VanDerWaalsContact O-N 3.08Å; P557-V614 HydrophobicContact CG-CB 4.45Å
558	W	93.8	Very high	95.9	Very high	2 Å²	2	8 Å²	8	1%	0.008	4%	0.04	C	C	.	.	H	α-helix	trans	-57.3	-43.9	-167.6	-175.5	-107.8	0	0	0	114	Y26 F28 Q33 F435 V478 M481 F482 A560 V561 L562	Y26-W558 AromaticContact CD1-CD1 3.87Å; Y26-W558 AromaticContact CD1-NE1 3.53Å; Y26-W558 AromaticContact CD2-CD1 3.35Å; Y26-W558 HydrophobicContact CD2-CG 4.5Å; Y26-W558 AromaticContact CD2-NE1 3.86Å; Y26-W558 AromaticContact CE2-CD1 3.81Å; Y26-W558 AromaticContact CG-CD1 3.37Å; Y26-W558 AromaticContact CG-NE1 3.33Å; Y26-W558 VanDerWaalsContact CG-NE1 3.33Å; F28-W558 AromaticContact CE2-CD2 3.68Å; F28-W558 HydrophobicContact CE2-CD2 3.68Å; F28-W558 AromaticContact CE2-CE2 3.66Å; F28-W558 HydrophobicContact CE2-CE3 4.06Å; F28-W558 HydrophobicContact CE2-CG 4.03Å; F28-W558 HydrophobicContact CE2-CH2 4.34Å; F28-W558 HydrophobicContact CE2-CZ2 4.01Å; F28-W558 HydrophobicContact CE2-CZ3 4.37Å; F28-W558 AromaticContact CE2-NE1 3.94Å; F28-W558 HydrophobicContact CZ-CD2 4.03Å; F28-W558 AromaticContact CZ-CE3 3.9Å; F28-W558 HydrophobicContact CZ-CE3 3.9Å; F28-W558 HydrophobicContact CZ-CH2 4.1Å; F28-W558 HydrophobicContact CZ-CZ2 4.23Å; F28-W558 AromaticContact CZ-CZ3 3.94Å; F28-W558 HydrophobicContact CZ-CZ3 3.94Å; Q33-W558 HydrophobicContact CB-CB 4.37Å; Q33-W558 HydrophobicContact CB-CE3 4.39Å; Q33-W558 HydrophobicContact CG-CE3 4.1Å; Q33-W558 VanDerWaalsContact O-CB 3.26Å; Q33-W558 WeakPolarHBondContact O-CB 3.42Å; F435-W558 AromaticContact CE1-CZ3 3.92Å; F435-W558 HydrophobicContact CE1-CZ3 3.92Å; F435-W558 HydrophobicContact CZ-CZ3 4.15Å; V478-W558 HydrophobicContact CB-CH2 4.32Å; V478-W558 HydrophobicContact CG1-CH2 4.1Å; V478-W558 HydrophobicContact CG2-CH2 3.72Å; V478-W558 HydrophobicContact CG2-CZ3 3.83Å; M481-W558 HydrophobicContact CE-CH2 3.97Å; M481-W558 HydrophobicContact SD-CH2 3.26Å; M481-W558 WeakPolarHBondContact SD-CH2 3.49Å; M481-W558 HydrophobicContact SD-CZ2 3.41Å; M481-W558 WeakPolarHBondContact SD-CZ2 3.05Å; M481-W558 HydrophobicContact SD-CZ3 4.33Å; F482-W558 HydrophobicContact CE2-CZ2 4Å; W558-A560 PolarHBondContact O-N 2.98Å; W558-V561 WeakPolarHBondContact O-CB 3.45Å; W558-V561 PolarHBondContact O-N 3.11Å; W558-V561 VanDerWaalsContact O-N 3.09Å; W558-L562 HydrophobicContact CZ2-CD2 4.25Å; W558-L562 WeakPolarHBondContact O-CG 3.46Å; W558-L562 PolarHBondContact O-N 2.85Å
559	T	93	Very high	95.8	Very high	29 Å²	29	8 Å²	8	18%	0.178	4%	0.04	C	C	.	.	H	α-helix	trans	-56.7	-34	174.4	55.8	0	0	0	0	112.9	Y26 T35 P557 R563	Y26-T559 HydrophobicContact CE2-CG2 3.83Å; T35-T559 HydrophobicContact CG2-CG2 3.82Å; P557-T559 PolarHBondContact O-N 2.82Å; T559-R563 WeakPolarHBondContact O-CG 3.46Å; T559-R563 PolarHBondContact O-N 2.98Å
560	A	95.6	Very high	95.8	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-74.8	-39.5	175.7	0	0	0	0	0	112.4	L556 P557 W558 L562 R563 I564 V614 L617	L556-A560 HydrophobicContact CB-CB 4.44Å; P557-A560 WeakPolarHBondContact O-CA 3.29Å; P557-A560 VanDerWaalsContact O-CB 3.28Å; P557-A560 WeakPolarHBondContact O-CB 3.22Å; P557-A560 PolarHBondContact O-N 3.41Å; W558-A560 PolarHBondContact O-N 2.98Å; A560-L562 PolarHBondContact O-N 3.41Å; A560-R563 PolarHBondContact O-N 3.16Å; A560-I564 WeakPolarHBondContact O-CB 3.42Å; A560-I564 VanDerWaalsContact O-CG1 3.3Å; A560-I564 WeakPolarHBondContact O-CG1 3.29Å; A560-I564 PolarHBondContact O-N 2.86Å; A560-V614 HydrophobicContact CB-CG1 3.9Å; A560-L617 HydrophobicContact CB-CD1 3.83Å
561	V	96.7	Very high	95.6	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-55.8	-50.8	173.3	177.5	0	0	0	0	110.1	Y552 T553 L556 P557 W558 R563 I564 W565	Y552-V561 WeakPolarHBondContact O-CG2 3.24Å; T553-V561 HydrophobicContact CG2-CG1 3.82Å; L556-V561 HydrophobicContact CB-CG2 4.17Å; L556-V561 WeakPolarHBondContact O-CG2 3.21Å; P557-V561 PolarHBondContact O-N 3.26Å; P557-V561 VanDerWaalsContact O-N 3.08Å; W558-V561 WeakPolarHBondContact O-CB 3.45Å; W558-V561 PolarHBondContact O-N 3.11Å; W558-V561 VanDerWaalsContact O-N 3.09Å; V561-R563 VanDerWaalsContact C-N 3.33Å; V561-R563 PolarHBondContact O-N 3.3Å; V561-I564 PolarHBondContact O-N 3Å; V561-I564 VanDerWaalsContact O-N 3.14Å; V561-W565 WeakPolarHBondContact O-CB 3.22Å; V561-W565 PolarHBondContact O-N 3.23Å
562	L	96.3	Very high	95.5	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.005	7%	0.07	C	C	.	.	H	α-helix	trans	-59.4	-42.2	179.3	-61.3	174.9	0	0	0	112.5	Y26 W90 F482 W558 A560 W565 D566	Y26-L562 HydrophobicContact CD1-CD1 4.1Å; Y26-L562 HydrophobicContact CE1-CD1 3.54Å; W90-L562 HydrophobicContact CH2-CD2 4.3Å; F482-L562 HydrophobicContact CD2-CD2 4.43Å; F482-L562 HydrophobicContact CE1-CD2 4.49Å; F482-L562 HydrophobicContact CE2-CD2 3.35Å; F482-L562 HydrophobicContact CZ-CD1 4.05Å; F482-L562 HydrophobicContact CZ-CD2 3.39Å; F482-L562 HydrophobicContact CZ-CG 4.36Å; W558-L562 HydrophobicContact CZ2-CD2 4.25Å; W558-L562 WeakPolarHBondContact O-CG 3.46Å; W558-L562 PolarHBondContact O-N 2.85Å; A560-L562 PolarHBondContact O-N 3.41Å; L562-W565 PolarHBondContact O-N 3.19Å; L562-D566 VanDerWaalsContact O-CG 3.27Å; L562-D566 PolarHBondContact O-N 3.23Å
563	R	96.3	Very high	95.3	Very high	20 Å²	20	13.5 Å²	13.5	8%	0.075	8%	0.075	C	C	.	.	H	α-helix	trans	-71.6	-28.9	177.6	-70.6	-60.2	-58.1	108	10.1	113.4	C77 L78 G80 T559 A560 V561 D566 L567 L617 I621	C77-R563 PolarHBondContact O-NH1 3.43Å; C77-R563 PolarHBondContact O-NH2 3.24Å; L78-R563 PolarHBondContact O-NH2 3.4Å; G80-R563 VanDerWaalsContact CA-CZ 3.44Å; G80-R563 VanDerWaalsContact N-CZ 3.34Å; T559-R563 WeakPolarHBondContact O-CG 3.46Å; T559-R563 PolarHBondContact O-N 2.98Å; A560-R563 PolarHBondContact O-N 3.16Å; V561-R563 VanDerWaalsContact C-N 3.33Å; V561-R563 PolarHBondContact O-N 3.3Å; R563-D566 IonicContact CZ-OD2 3.83Å; R563-D566 IonicContact NH1-OD2 3.96Å; R563-D566 PolarHBondContact NH1-OD2 2.81Å; R563-L567 WeakPolarHBondContact O-CG 3.47Å; R563-L617 HydrophobicContact CB-CD1 4.26Å; R563-L617 HydrophobicContact CG-CD1 4.37Å; R563-L617 HydrophobicContact CG-CD2 3.86Å; R563-L617 HydrophobicContact CG-CG 4.29Å; R563-I621 HydrophobicContact CB-CD1 3.81Å; R563-I621 HydrophobicContact CB-CG1 4.15Å
564	I	97.9	Very high	95.4	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.005	8%	0.079	C	C	.	.	H	α-helix	trans	-70.9	-42.5	169.9	-73.1	164.5	0	0	0	110.2	Y552 L556 A560 V561 L567 F568 I575 V579 F620	Y552-I564 HydrophobicContact CD2-CG2 4.25Å; Y552-I564 HydrophobicContact CG-CD1 4.47Å; L556-I564 HydrophobicContact CD1-CD1 3.35Å; A560-I564 WeakPolarHBondContact O-CB 3.42Å; A560-I564 VanDerWaalsContact O-CG1 3.3Å; A560-I564 WeakPolarHBondContact O-CG1 3.29Å; A560-I564 PolarHBondContact O-N 2.86Å; V561-I564 PolarHBondContact O-N 3Å; V561-I564 VanDerWaalsContact O-N 3.14Å; I564-L567 CarbonylContact O-C 3.44Å; I564-L567 WeakPolarHBondContact O-CA 3.39Å; I564-L567 WeakPolarHBondContact O-CB 3.49Å; I564-L567 PolarHBondContact O-N 3.36Å; I564-F568 WeakPolarHBondContact O-CB 3.31Å; I564-F568 PolarHBondContact O-N 3.32Å; I564-I575 HydrophobicContact CG2-CG2 4.15Å; I564-V579 HydrophobicContact CD1-CG1 3.88Å; I564-V579 HydrophobicContact CD1-CG2 3.85Å; I564-V579 HydrophobicContact CG1-CG2 3.82Å; I564-V579 HydrophobicContact CG2-CG2 4.22Å; I564-F620 HydrophobicContact CD1-CE1 4.01Å; I564-F620 HydrophobicContact CD1-CZ 4.41Å
565	W	98.2	Very high	95.7	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-63.9	-44.4	-179.6	-83.4	44	0	0	0	112.4	W90 L475 V478 L479 I495 A551 T553 V561 L562 L567 F568 F569	W90-W565 HydrophobicContact CE3-CE3 4.27Å; W90-W565 HydrophobicContact CH2-CB 4.19Å; W90-W565 HydrophobicContact CH2-CD2 4.31Å; W90-W565 AromaticContact CH2-CE3 3.54Å; W90-W565 HydrophobicContact CH2-CE3 3.54Å; W90-W565 HydrophobicContact CH2-CZ3 4.32Å; W90-W565 HydrophobicContact CZ2-CB 3.6Å; W90-W565 HydrophobicContact CZ2-CE3 4.03Å; W90-W565 HydrophobicContact CZ2-CG 4.45Å; W90-W565 AromaticContact CZ3-CE3 3.68Å; W90-W565 HydrophobicContact CZ3-CE3 3.68Å; W90-W565 HydrophobicContact CZ3-CZ3 4.08Å; L475-W565 HydrophobicContact CB-CH2 4.29Å; L475-W565 HydrophobicContact CD2-CH2 4.09Å; L475-W565 HydrophobicContact CD2-CZ2 3.6Å; V478-W565 HydrophobicContact CB-CH2 3.83Å; V478-W565 HydrophobicContact CB-CZ2 4.32Å; V478-W565 HydrophobicContact CB-CZ3 4.12Å; V478-W565 HydrophobicContact CG1-CD2 4.35Å; V478-W565 HydrophobicContact CG1-CE3 3.92Å; V478-W565 HydrophobicContact CG1-CH2 3.74Å; V478-W565 HydrophobicContact CG1-CZ2 4.17Å; V478-W565 HydrophobicContact CG1-CZ3 3.6Å; L479-W565 HydrophobicContact CD2-CZ3 3.91Å; L479-W565 HydrophobicContact CG-CH2 4.48Å; L479-W565 HydrophobicContact CG-CZ3 4.03Å; I495-W565 HydrophobicContact CD1-CH2 4.18Å; I495-W565 HydrophobicContact CD1-CZ3 4.18Å; A551-W565 HydrophobicContact CB-CZ2 4.3Å; A551-W565 PolarHBondContact O-NE1 2.94Å; T553-W565 HydrophobicContact CG2-CH2 4.36Å; T553-W565 HydrophobicContact CG2-CZ2 3.34Å; V561-W565 WeakPolarHBondContact O-CB 3.22Å; V561-W565 PolarHBondContact O-N 3.23Å; L562-W565 PolarHBondContact O-N 3.19Å; W565-L567 PolarHBondContact O-N 3.23Å; W565-L567 VanDerWaalsContact O-N 3.12Å; W565-F568 PolarHBondContact O-N 3.02Å; W565-F568 VanDerWaalsContact O-N 3.14Å; W565-F569 AromaticContact CE3-CE2 3.87Å; W565-F569 HydrophobicContact CE3-CE2 3.87Å; W565-F569 HydrophobicContact CZ3-CE2 4.42Å; W565-F569 VanDerWaalsContact O-CD2 3.31Å; W565-F569 WeakPolarHBondContact O-CD2 3.13Å; W565-F569 PolarHBondContact O-N 3.08Å
566	D	97.7	Very high	95.9	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-51	-33.6	170.1	-73.3	-9.7	0	0	0	113.2	I81 R86 W90 L562 R563 C570	I81-D566 WeakPolarHBondContact CB-OD1 3.43Å; I81-D566 HydrophobicContact CD1-CB 4.02Å; I81-D566 WeakPolarHBondContact CD1-OD1 3.28Å; I81-D566 HydrophobicContact CG1-CB 3.97Å; I81-D566 VanDerWaalsContact CG1-CG 3.46Å; I81-D566 WeakPolarHBondContact CG1-OD1 3.45Å; I81-D566 PolarHBondContact N-OD2 2.88Å; R86-D566 WeakPolarHBondContact CD-OD1 3.17Å; R86-D566 IonicContact NE-OD1 3.45Å; R86-D566 PolarHBondContact NE-OD1 3.43Å; R86-D566 VanDerWaalsContact NE-OD1 3.09Å; R86-D566 IonicContact NE-OD2 3.59Å; W90-D566 PolarHBondContact NE1-OD1 3.17Å; W90-D566 VanDerWaalsContact NE1-OD1 3.14Å; L562-D566 VanDerWaalsContact O-CG 3.27Å; L562-D566 PolarHBondContact O-N 3.23Å; R563-D566 IonicContact CZ-OD2 3.83Å; R563-D566 IonicContact NH1-OD2 3.96Å; R563-D566 PolarHBondContact NH1-OD2 2.81Å; D566-C570 WeakPolarHBondContact O-CB 3.3Å
567	L	97.3	Very high	96.1	Very high	1 Å²	1	11.1 Å²	11.1	1%	0.005	7%	0.066	C	C	.	.	H	α-helix	trans	-86.1	-41.3	176.8	-64.3	179.6	0	0	0	112.3	C77 L78 R563 I564 W565 F569 C570 D571 I575 I621 V625	C77-L567 HydrophobicContact CB-CD2 4.47Å; L78-L567 HydrophobicContact CD2-CD2 3.7Å; L78-L567 HydrophobicContact CG-CD2 4.1Å; R563-L567 WeakPolarHBondContact O-CG 3.47Å; I564-L567 CarbonylContact O-C 3.44Å; I564-L567 WeakPolarHBondContact O-CA 3.39Å; I564-L567 WeakPolarHBondContact O-CB 3.49Å; I564-L567 PolarHBondContact O-N 3.36Å; W565-L567 PolarHBondContact O-N 3.23Å; W565-L567 VanDerWaalsContact O-N 3.12Å; L567-F569 PolarHBondContact O-N 2.98Å; L567-C570 WeakPolarHBondContact O-CB 3.48Å; L567-C570 PolarHBondContact O-N 2.86Å; L567-D571 PolarHBondContact O-N 3.2Å; L567-I575 HydrophobicContact CB-CD1 4.03Å; L567-I575 HydrophobicContact CB-CG1 3.96Å; L567-I575 HydrophobicContact CB-CG2 3.99Å; L567-I621 HydrophobicContact CD1-CD1 4.21Å; L567-I621 HydrophobicContact CD1-CG2 4.17Å; L567-V625 HydrophobicContact CD1-CG2 4.28Å
568	F	97.4	Very high	96.3	Very high	1 Å²	1	10.2 Å²	10.2	0%	0.004	6%	0.058	C	C	.	.	H	α-helix	trans	-58.7	-45	179.5	168.4	-106.9	0	0	0	111.3	I495 Y499 L500 I564 W565 C570 G572 K573 L576	I495-F568 HydrophobicContact CG1-CE1 4.4Å; I495-F568 HydrophobicContact CG2-CE1 4.16Å; I495-F568 HydrophobicContact CG2-CZ 4.21Å; Y499-F568 VanDerWaalsContact CB-CZ 3.45Å; Y499-F568 HydrophobicContact CD1-CD1 4.43Å; Y499-F568 HydrophobicContact CD1-CD2 4.46Å; Y499-F568 HydrophobicContact CD1-CE1 4.1Å; Y499-F568 HydrophobicContact CD1-CE2 4.13Å; Y499-F568 AromaticContact CD1-CZ 3.97Å; Y499-F568 HydrophobicContact CD1-CZ 3.97Å; Y499-F568 WeakPolarHBondContact CE1-O 3.22Å; Y499-F568 HydrophobicContact CG-CE1 4.25Å; Y499-F568 HydrophobicContact CG-CZ 4.01Å; L500-F568 HydrophobicContact CD2-CE2 3.9Å; L500-F568 HydrophobicContact CD2-CZ 3.79Å; L500-F568 HydrophobicContact CG-CZ 4.08Å; I564-F568 WeakPolarHBondContact O-CB 3.31Å; I564-F568 PolarHBondContact O-N 3.32Å; W565-F568 PolarHBondContact O-N 3.02Å; W565-F568 VanDerWaalsContact O-N 3.14Å; F568-C570 VanDerWaalsContact C-N 3.29Å; F568-C570 PolarHBondContact O-N 3.1Å; F568-G572 WeakPolarHBondContact O-CA 3.37Å; F568-G572 PolarHBondContact O-N 2.62Å; F568-K573 HydrophobicContact CE2-CB 4.46Å; F568-L576 HydrophobicContact CD2-CD1 4.4Å; F568-L576 HydrophobicContact CD2-CD2 3.96Å; F568-L576 HydrophobicContact CD2-CG 4.04Å; F568-L576 HydrophobicContact CE2-CD1 3.95Å; F568-L576 HydrophobicContact CE2-CD2 4.25Å; F568-L576 HydrophobicContact CE2-CG 4.1Å
569	F	96.2	Very high	96.5	Very high	1 Å²	1	10.1 Å²	10.1	0%	0.004	6%	0.057	C	C	.	.	H	α-helix	trans	-63.2	-33.3	173.3	-80	-67.1	0	0	0	113.2	W90 L93 C94 L479 T491 I495 Y499 W565 L567	W90-F569 HydrophobicContact CB-CD1 4.46Å; W90-F569 HydrophobicContact CB-CD2 3.81Å; W90-F569 HydrophobicContact CB-CE1 4.35Å; W90-F569 HydrophobicContact CB-CE2 3.69Å; W90-F569 HydrophobicContact CB-CG 4.2Å; W90-F569 HydrophobicContact CB-CZ 3.96Å; W90-F569 AromaticContact CD1-CD2 3.44Å; W90-F569 VanDerWaalsContact CD1-CD2 3.44Å; W90-F569 AromaticContact CD1-CE2 3.92Å; W90-F569 AromaticContact CD2-CD2 3.78Å; W90-F569 HydrophobicContact CD2-CD2 3.78Å; W90-F569 AromaticContact CD2-CE2 3.42Å; W90-F569 HydrophobicContact CD2-CE2 3.42Å; W90-F569 VanDerWaalsContact CD2-CE2 3.42Å; W90-F569 HydrophobicContact CD2-CZ 4.33Å; W90-F569 AromaticContact CE2-CD2 3.95Å; W90-F569 AromaticContact CE2-CE2 3.89Å; W90-F569 AromaticContact CE3-CE2 3.8Å; W90-F569 HydrophobicContact CE3-CE2 3.8Å; W90-F569 HydrophobicContact CE3-CZ 4.44Å; W90-F569 AromaticContact CG-CD2 3.41Å; W90-F569 HydrophobicContact CG-CD2 3.41Å; W90-F569 VanDerWaalsContact CG-CD2 3.41Å; W90-F569 AromaticContact CG-CE2 3.42Å; W90-F569 HydrophobicContact CG-CE2 3.42Å; W90-F569 VanDerWaalsContact CG-CE2 3.42Å; W90-F569 HydrophobicContact CG-CG 4.19Å; W90-F569 HydrophobicContact CG-CZ 4.19Å; W90-F569 AromaticContact NE1-CD2 3.79Å; L93-F569 HydrophobicContact CB-CB 3.88Å; L93-F569 HydrophobicContact CD1-CB 4.02Å; C94-F569 HydrophobicContact CB-CD1 3.96Å; C94-F569 HydrophobicContact CB-CE1 4.01Å; L479-F569 HydrophobicContact CD2-CZ 4.48Å; T491-F569 HydrophobicContact CG2-CE1 4.01Å; T491-F569 HydrophobicContact CG2-CZ 3.84Å; I495-F569 HydrophobicContact CD1-CE1 4.33Å; I495-F569 HydrophobicContact CD1-CZ 3.83Å; I495-F569 HydrophobicContact CG1-CE1 3.95Å; I495-F569 HydrophobicContact CG1-CZ 3.98Å; Y499-F569 PolarHBondContact OH-O 3.1Å; W565-F569 AromaticContact CE3-CE2 3.87Å; W565-F569 HydrophobicContact CE3-CE2 3.87Å; W565-F569 HydrophobicContact CZ3-CE2 4.42Å; W565-F569 VanDerWaalsContact O-CD2 3.31Å; W565-F569 WeakPolarHBondContact O-CD2 3.13Å; W565-F569 PolarHBondContact O-N 3.08Å; L567-F569 PolarHBondContact O-N 2.98Å
570	C	95	Very high	96.8	Very high	33 Å²	33	8.7 Å²	8.7	22%	0.223	5%	0.049	C	C	.	.	H	α-helix	trans	-81.4	-47.9	-175.5	180	0	0	0	0	114.1	C77 L93 D566 L567 F568	C77-C570 HydrophobicContact CB-CB 3.83Å; L93-C570 HydrophobicContact CD1-CB 4.42Å; L93-C570 HydrophobicContact CD2-CB 4.46Å; D566-C570 WeakPolarHBondContact O-CB 3.3Å; L567-C570 WeakPolarHBondContact O-CB 3.48Å; L567-C570 PolarHBondContact O-N 2.86Å; F568-C570 VanDerWaalsContact C-N 3.29Å; F568-C570 PolarHBondContact O-N 3.1Å
571	D	92.6	Very high	96.9	Very high	44 Å²	44	8.8 Å²	8.8	24%	0.235	5%	0.049	C	C	.	.	H	α-helix	trans	-106.8	-12.2	-172.7	-78.5	23.6	0	0	0	112.6	R74 L567 I574 I575	R74-D571 WeakPolarHBondContact CD-OD1 3.41Å; R74-D571 IonicContact CZ-OD1 3.67Å; R74-D571 IonicContact CZ-OD2 2.77Å; R74-D571 VanDerWaalsContact CZ-OD2 3.29Å; R74-D571 VanDerWaalsContact NE-CG 3.3Å; R74-D571 IonicContact NE-OD1 3.84Å; R74-D571 PolarHBondContact NE-OD1 3.41Å; R74-D571 IonicContact NE-OD2 3.31Å; R74-D571 PolarHBondContact NE-OD2 2.91Å; R74-D571 IonicContact NH2-OD1 2.72Å; R74-D571 IonicContact NH2-OD2 2.87Å; R74-D571 PolarHBondContact NH2-OD2 3.22Å; L567-D571 PolarHBondContact O-N 3.2Å; D571-I574 HydrophobicContact CB-CG2 4.2Å; D571-I574 WeakPolarHBondContact O-CG2 3.3Å; D571-I575 HydrophobicContact CB-CD1 3.79Å; D571-I575 HydrophobicContact CB-CG1 3.72Å
572	G	93.9	Very high	97	Very high	17 Å²	17	9.1 Å²	9.1	18%	0.175	5%	0.051	C	C	.	.			trans	86	-170.9	-179.6	0	0	0	0	0	114.9	F568 I574 I575	F568-G572 WeakPolarHBondContact O-CA 3.37Å; F568-G572 PolarHBondContact O-N 2.62Å; G572-I574 PolarHBondContact O-N 3.46Å; G572-I575 PolarHBondContact O-N 2.96Å
573	K	94.7	Very high	97.1	Very high	23 Å²	23	9 Å²	9	10%	0.1	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-17.6	-176.3	60.1	175.1	157.3	-158.1	0	115.6	S365 Y499 E501 R510 F568 I575 L576 F577	S365-K573 PolarHBondContact OG-NZ 3.38Å; Y499-K573 WeakPolarHBondContact O-CD 3.38Å; E501-K573 IonicContact OE2-NZ 3.09Å; E501-K573 PolarHBondContact OE2-NZ 2.89Å; R510-K573 VanDerWaalsContact NH2-NZ 3.17Å; F568-K573 HydrophobicContact CE2-CB 4.46Å; K573-I575 PolarHBondContact O-N 3.38Å; K573-I575 VanDerWaalsContact O-N 3.12Å; K573-L576 WeakPolarHBondContact O-CB 3.4Å; K573-L576 PolarHBondContact O-N 3.12Å; K573-F577 WeakPolarHBondContact O-CD2 3.43Å
574	I	97	Very high	97.2	Very high	19 Å²	19	8.1 Å²	8.1	10%	0.097	5%	0.047	C	C	.	.	H	α-helix	trans	-52.3	-31.7	170.8	-171.6	166.9	0	0	0	113.1	D571 G572 L576 F577 K578 I629 L634	D571-I574 HydrophobicContact CB-CG2 4.2Å; D571-I574 WeakPolarHBondContact O-CG2 3.3Å; G572-I574 PolarHBondContact O-N 3.46Å; I574-L576 VanDerWaalsContact C-N 3.26Å; I574-L576 PolarHBondContact O-N 3.02Å; I574-F577 PolarHBondContact O-N 2.76Å; I574-K578 HydrophobicContact CG1-CD 4.48Å; I574-K578 HydrophobicContact CG1-CG 4.44Å; I574-K578 WeakPolarHBondContact O-CG 3.28Å; I574-K578 PolarHBondContact O-N 3.32Å; I574-K578 VanDerWaalsContact O-N 3.1Å; I574-I629 HydrophobicContact CD1-CG2 4Å; I574-I629 HydrophobicContact CG1-CG2 4.35Å; I574-L634 HydrophobicContact CB-CD2 3.68Å; I574-L634 HydrophobicContact CD1-CD2 4.43Å; I574-L634 HydrophobicContact CG1-CD2 3.91Å
575	I	97.9	Very high	97.2	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.005	6%	0.062	C	C	.	.	H	α-helix	trans	-61.7	-35.4	176.4	-64	-59.1	0	0	0	111.5	I564 L567 D571 G572 K573 F577 K578 V579	I564-I575 HydrophobicContact CG2-CG2 4.15Å; L567-I575 HydrophobicContact CB-CD1 4.03Å; L567-I575 HydrophobicContact CB-CG1 3.96Å; L567-I575 HydrophobicContact CB-CG2 3.99Å; D571-I575 HydrophobicContact CB-CD1 3.79Å; D571-I575 HydrophobicContact CB-CG1 3.72Å; G572-I575 PolarHBondContact O-N 2.96Å; K573-I575 PolarHBondContact O-N 3.38Å; K573-I575 VanDerWaalsContact O-N 3.12Å; I575-F577 VanDerWaalsContact C-N 3.35Å; I575-F577 PolarHBondContact O-N 2.96Å; I575-K578 PolarHBondContact O-N 3.2Å; I575-V579 HydrophobicContact CG2-CG2 4.11Å; I575-V579 WeakPolarHBondContact O-CB 3.26Å; I575-V579 VanDerWaalsContact O-CG2 3.27Å; I575-V579 WeakPolarHBondContact O-CG2 3.5Å; I575-V579 PolarHBondContact O-N 2.95Å
576	L	98.2	Very high	97.1	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-63.2	-42.4	179.8	-54.2	-178.9	0	0	0	111.5	L500 F548 A551 Y552 F568 K573 I574 A580	L500-L576 HydrophobicContact CD2-CD1 3.81Å; F548-L576 HydrophobicContact CD1-CB 3.98Å; F548-L576 HydrophobicContact CE1-CB 3.87Å; F548-L576 WeakPolarHBondContact CE1-O 3.34Å; F548-L576 HydrophobicContact CZ-CB 4.31Å; A551-L576 HydrophobicContact CB-CD2 4.4Å; Y552-L576 HydrophobicContact CD2-CD2 3.93Å; Y552-L576 HydrophobicContact CE2-CB 4.22Å; Y552-L576 HydrophobicContact CE2-CD2 3.72Å; Y552-L576 PolarHBondContact OH-O 2.74Å; F568-L576 HydrophobicContact CD2-CD1 4.4Å; F568-L576 HydrophobicContact CD2-CD2 3.96Å; F568-L576 HydrophobicContact CD2-CG 4.04Å; F568-L576 HydrophobicContact CE2-CD1 3.95Å; F568-L576 HydrophobicContact CE2-CD2 4.25Å; F568-L576 HydrophobicContact CE2-CG 4.1Å; K573-L576 WeakPolarHBondContact O-CB 3.4Å; K573-L576 PolarHBondContact O-N 3.12Å; I574-L576 VanDerWaalsContact C-N 3.26Å; I574-L576 PolarHBondContact O-N 3.02Å; L576-A580 PolarHBondContact O-N 2.81Å
577	F	98.5	Very high	97.1	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-64.3	-43.2	173.8	-65.5	-91.3	0	0	0	112.5	D514 V517 L518 L521 F548 K573 I574 I575 A580 I581 L634	D514-F577 HydrophobicContact CB-CE1 4.36Å; D514-F577 HydrophobicContact CB-CZ 3.78Å; D514-F577 VanDerWaalsContact O-CE1 3.25Å; D514-F577 WeakPolarHBondContact O-CE1 3.42Å; V517-F577 HydrophobicContact CB-CE1 3.91Å; V517-F577 HydrophobicContact CB-CZ 4.43Å; V517-F577 HydrophobicContact CG1-CD1 4.24Å; V517-F577 HydrophobicContact CG1-CE1 3.51Å; V517-F577 HydrophobicContact CG1-CZ 4.02Å; L518-F577 HydrophobicContact CB-CD1 4.1Å; L518-F577 HydrophobicContact CB-CE1 4.27Å; L518-F577 HydrophobicContact CD1-CD1 4.39Å; L521-F577 HydrophobicContact CD1-CB 4.37Å; L521-F577 HydrophobicContact CD1-CD1 3.72Å; L521-F577 HydrophobicContact CD1-CE1 4.35Å; L521-F577 HydrophobicContact CD1-CG 4.26Å; F548-F577 HydrophobicContact CE2-CD1 4.18Å; F548-F577 AromaticContact CE2-CE1 3.89Å; F548-F577 HydrophobicContact CE2-CE1 3.89Å; F548-F577 HydrophobicContact CE2-CE2 4.3Å; F548-F577 AromaticContact CE2-CZ 3.95Å; F548-F577 HydrophobicContact CE2-CZ 3.95Å; F548-F577 HydrophobicContact CZ-CD1 4.05Å; F548-F577 HydrophobicContact CZ-CE1 4.23Å; F548-F577 HydrophobicContact CZ-CG 4.24Å; K573-F577 WeakPolarHBondContact O-CD2 3.43Å; I574-F577 PolarHBondContact O-N 2.76Å; I575-F577 VanDerWaalsContact C-N 3.35Å; I575-F577 PolarHBondContact O-N 2.96Å; F577-A580 PolarHBondContact O-N 2.95Å; F577-I581 WeakPolarHBondContact O-CG1 3.49Å; F577-I581 PolarHBondContact O-N 3.48Å; F577-L634 HydrophobicContact CD1-CD1 4.14Å; F577-L634 HydrophobicContact CD2-CD1 3.85Å; F577-L634 HydrophobicContact CD2-CD2 4Å; F577-L634 HydrophobicContact CE1-CD1 4.03Å; F577-L634 HydrophobicContact CE2-CD1 3.76Å; F577-L634 HydrophobicContact CE2-CD2 4.12Å; F577-L634 HydrophobicContact CG-CD1 4.04Å; F577-L634 HydrophobicContact CZ-CD1 3.84Å
578	K	98.5	Very high	97.1	Very high	21 Å²	21	13.4 Å²	13.4	9%	0.091	7%	0.072	C	C	.	.	H	α-helix	trans	-65.3	-40.9	179	-68.2	-168.7	177.3	-151.6	0	111.9	I574 I575 I581 V582 V624 V627 I629	I574-K578 HydrophobicContact CG1-CD 4.48Å; I574-K578 HydrophobicContact CG1-CG 4.44Å; I574-K578 WeakPolarHBondContact O-CG 3.28Å; I574-K578 PolarHBondContact O-N 3.32Å; I574-K578 VanDerWaalsContact O-N 3.1Å; I575-K578 PolarHBondContact O-N 3.2Å; K578-I581 PolarHBondContact O-N 3.08Å; K578-V582 WeakPolarHBondContact O-CG2 3.3Å; K578-V582 PolarHBondContact O-N 3.04Å; K578-V624 HydrophobicContact CB-CG1 3.93Å; K578-V624 WeakPolarHBondContact CD-O 3.4Å; K578-V627 HydrophobicContact CB-CB 4.06Å; K578-V627 HydrophobicContact CB-CG1 4.42Å; K578-V627 HydrophobicContact CB-CG2 4.2Å; K578-V627 HydrophobicContact CD-CB 4.07Å; K578-V627 WeakPolarHBondContact CE-O 3.43Å; K578-V627 HydrophobicContact CG-CB 3.86Å; K578-V627 HydrophobicContact CG-CG1 4.03Å; K578-V627 PolarHBondContact NZ-O 2.65Å; K578-I629 WeakPolarHBondContact CE-O 3.41Å; K578-I629 HydrophobicContact CG-CD1 4.44Å; K578-I629 PolarHBondContact NZ-O 2.86Å
579	V	98.5	Very high	97	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-59.7	-51.4	172.5	172	0	0	0	0	110.5	Y552 L556 I564 I575 I581 V582 L583 F620 V624	Y552-V579 HydrophobicContact CD1-CG1 4.04Å; Y552-V579 HydrophobicContact CD2-CG1 4.09Å; Y552-V579 HydrophobicContact CE1-CB 4.48Å; Y552-V579 HydrophobicContact CE1-CG1 3.55Å; Y552-V579 HydrophobicContact CE2-CB 3.83Å; Y552-V579 HydrophobicContact CE2-CG1 3.62Å; Y552-V579 HydrophobicContact CG-CG1 4.28Å; L556-V579 HydrophobicContact CD1-CG1 4.15Å; I564-V579 HydrophobicContact CD1-CG1 3.88Å; I564-V579 HydrophobicContact CD1-CG2 3.85Å; I564-V579 HydrophobicContact CG1-CG2 3.82Å; I564-V579 HydrophobicContact CG2-CG2 4.22Å; I575-V579 HydrophobicContact CG2-CG2 4.11Å; I575-V579 WeakPolarHBondContact O-CB 3.26Å; I575-V579 VanDerWaalsContact O-CG2 3.27Å; I575-V579 WeakPolarHBondContact O-CG2 3.5Å; I575-V579 PolarHBondContact O-N 2.95Å; V579-I581 VanDerWaalsContact C-N 3.3Å; V579-I581 PolarHBondContact O-N 3.45Å; V579-V582 PolarHBondContact O-N 3.42Å; V579-V582 VanDerWaalsContact O-N 3.16Å; V579-L583 HydrophobicContact CG1-CD1 3.65Å; V579-L583 HydrophobicContact CG1-CG 4.22Å; V579-L583 WeakPolarHBondContact O-CG 3.15Å; V579-L583 PolarHBondContact O-N 3.48Å; V579-F620 HydrophobicContact CG1-CZ 4.09Å; V579-V624 HydrophobicContact CG2-CG1 3.83Å; V579-V624 HydrophobicContact CG2-CG2 4.01Å
580	A	98.5	Very high	97	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-57.8	-41.3	-179	0	0	0	0	0	112.7	L518 W547 F548 Y552 L576 F577 L583 L584	L518-A580 HydrophobicContact CD1-CB 3.71Å; L518-A580 HydrophobicContact CD2-CB 3.77Å; L518-A580 HydrophobicContact CG-CB 4.42Å; W547-A580 HydrophobicContact CE3-CB 3.91Å; W547-A580 HydrophobicContact CZ3-CB 3.96Å; F548-A580 HydrophobicContact CE1-CB 4.07Å; F548-A580 HydrophobicContact CZ-CB 4.43Å; Y552-A580 WeakPolarHBondContact OH-CA 3.06Å; Y552-A580 WeakPolarHBondContact OH-CB 3.44Å; Y552-A580 PolarHBondContact OH-N 2.93Å; Y552-A580 VanDerWaalsContact OH-N 3.14Å; L576-A580 PolarHBondContact O-N 2.81Å; F577-A580 PolarHBondContact O-N 2.95Å; A580-L583 PolarHBondContact O-N 3.3Å; A580-L584 WeakPolarHBondContact O-CB 3.24Å; A580-L584 VanDerWaalsContact O-CG 3.25Å; A580-L584 WeakPolarHBondContact O-CG 3.48Å; A580-L584 PolarHBondContact O-N 3.1Å
581	I	98.4	Very high	97.1	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-66.8	-39.4	179.3	-71.5	166.1	0	0	0	111.8	L518 L521 I525 F577 K578 V579 N585 V627 I629	L518-I581 HydrophobicContact CD1-CD1 4.24Å; L518-I581 HydrophobicContact CD1-CG1 3.77Å; L521-I581 HydrophobicContact CB-CD1 4.06Å; I525-I581 HydrophobicContact CD1-CD1 4.11Å; I525-I581 HydrophobicContact CG2-CG2 4.25Å; F577-I581 WeakPolarHBondContact O-CG1 3.49Å; F577-I581 PolarHBondContact O-N 3.48Å; K578-I581 PolarHBondContact O-N 3.08Å; V579-I581 VanDerWaalsContact C-N 3.3Å; V579-I581 PolarHBondContact O-N 3.45Å; I581-N585 VanDerWaalsContact O-CB 3.22Å; I581-N585 WeakPolarHBondContact O-CB 3.45Å; I581-N585 PolarHBondContact O-N 2.96Å; I581-V627 HydrophobicContact CB-CG1 4.42Å; I581-V627 HydrophobicContact CD1-CG1 4.35Å; I581-V627 HydrophobicContact CG2-CG1 4.11Å; I581-I629 HydrophobicContact CD1-CD1 3.49Å; I581-I629 VanDerWaalsContact CD1-CD1 3.49Å
582	V	98.5	Very high	97.2	Very high	7 Å²	7	21.7 Å²	21.7	4%	0.042	12%	0.123	C	C	.	.	H	α-helix	trans	-65.5	-44.8	174.3	173.9	0	0	0	0	111.3	K578 V579 N585 R586 F620 E623 V624 V627	K578-V582 WeakPolarHBondContact O-CG2 3.3Å; K578-V582 PolarHBondContact O-N 3.04Å; V579-V582 PolarHBondContact O-N 3.42Å; V579-V582 VanDerWaalsContact O-N 3.16Å; V582-N585 PolarHBondContact O-N 2.86Å; V582-R586 HydrophobicContact CG1-CG 4.44Å; V582-R586 WeakPolarHBondContact O-CG 3.35Å; V582-R586 PolarHBondContact O-N 3.01Å; V582-F620 HydrophobicContact CB-CE2 4.34Å; V582-F620 HydrophobicContact CG1-CD2 3.71Å; V582-F620 HydrophobicContact CG1-CE2 3.77Å; V582-E623 HydrophobicContact CG1-CB 3.93Å; V582-E623 HydrophobicContact CG2-CB 3.98Å; V582-V624 HydrophobicContact CB-CG2 4.13Å; V582-V624 HydrophobicContact CG1-CG2 4.44Å; V582-V624 HydrophobicContact CG2-CB 4.46Å; V582-V624 HydrophobicContact CG2-CG2 3.89Å; V582-V627 HydrophobicContact CG2-CG2 3.56Å
583	L	98.2	Very high	97.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-61.2	-49.6	178.2	-65.6	171.6	0	0	0	111.1	W547 Y552 L556 V579 A580 N585 R586 L587 V610 V613 V614 F620	W547-L583 HydrophobicContact CE3-CD1 4.22Å; W547-L583 HydrophobicContact CH2-CB 3.91Å; W547-L583 HydrophobicContact CH2-CD1 4.23Å; W547-L583 HydrophobicContact CZ3-CB 3.97Å; W547-L583 HydrophobicContact CZ3-CD1 3.98Å; Y552-L583 HydrophobicContact CD1-CD1 4.28Å; Y552-L583 HydrophobicContact CE1-CD1 3.74Å; L556-L583 HydrophobicContact CD1-CD1 4.23Å; L556-L583 HydrophobicContact CD2-CD1 3.95Å; L556-L583 HydrophobicContact CD2-CD2 4.07Å; V579-L583 HydrophobicContact CG1-CD1 3.65Å; V579-L583 HydrophobicContact CG1-CG 4.22Å; V579-L583 WeakPolarHBondContact O-CG 3.15Å; V579-L583 PolarHBondContact O-N 3.48Å; A580-L583 PolarHBondContact O-N 3.3Å; L583-N585 VanDerWaalsContact C-N 3.29Å; L583-N585 PolarHBondContact O-N 3.48Å; L583-R586 PolarHBondContact O-N 2.88Å; L583-L587 WeakPolarHBondContact O-CB 3.43Å; L583-L587 VanDerWaalsContact O-CG 3.28Å; L583-L587 WeakPolarHBondContact O-CG 3.41Å; L583-L587 PolarHBondContact O-N 3.26Å; L583-V610 HydrophobicContact CB-CG2 3.88Å; L583-V610 HydrophobicContact CD1-CG2 3.78Å; L583-V610 HydrophobicContact CD2-CG2 3.73Å; L583-V610 HydrophobicContact CG-CG2 3.98Å; L583-V613 HydrophobicContact CD2-CG2 4.19Å; L583-V614 HydrophobicContact CD2-CG2 4.28Å; L583-F620 HydrophobicContact CD2-CE2 3.58Å; L583-F620 HydrophobicContact CD2-CZ 3.82Å; L583-F620 HydrophobicContact CG-CE2 4.09Å; L583-F620 HydrophobicContact CG-CZ 4.26Å
584	L	97.9	Very high	97.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.6	-34.7	175.7	-69.4	172.7	0	0	0	112.7	L518 L522 L533 V543 W547 A580 F588 L607	L518-L584 HydrophobicContact CD2-CD1 4.5Å; L522-L584 HydrophobicContact CD1-CB 4.48Å; L522-L584 HydrophobicContact CD1-CD1 4.34Å; L522-L584 HydrophobicContact CD2-CD1 4.08Å; L533-L584 HydrophobicContact CD1-CD2 4.33Å; V543-L584 HydrophobicContact CG1-CD2 4.5Å; W547-L584 HydrophobicContact CH2-CD2 4.28Å; W547-L584 HydrophobicContact CH2-CG 4.38Å; W547-L584 HydrophobicContact CZ3-CG 4.32Å; A580-L584 WeakPolarHBondContact O-CB 3.24Å; A580-L584 VanDerWaalsContact O-CG 3.25Å; A580-L584 WeakPolarHBondContact O-CG 3.48Å; A580-L584 PolarHBondContact O-N 3.1Å; L584-F588 HydrophobicContact CD2-CD2 4.15Å; L584-F588 HydrophobicContact CD2-CE2 4.2Å; L584-F588 WeakPolarHBondContact O-CB 3.42Å; L584-F588 PolarHBondContact O-N 2.94Å; L584-L607 HydrophobicContact CD2-CD2 3.78Å
585	N	97.7	Very high	97.2	Very high	59 Å²	59	33.2 Å²	33.2	32%	0.316	17%	0.167	S	C	.	.	H	α-helix	trans	-70.2	-36.4	174.7	-174.6	53.4	0	0	0	113	I529 I581 V582 L583 G589	I529-N585 HydrophobicContact CD1-CB 4.26Å; I581-N585 VanDerWaalsContact O-CB 3.22Å; I581-N585 WeakPolarHBondContact O-CB 3.45Å; I581-N585 PolarHBondContact O-N 2.96Å; V582-N585 PolarHBondContact O-N 2.86Å; L583-N585 VanDerWaalsContact C-N 3.29Å; L583-N585 PolarHBondContact O-N 3.48Å; N585-G589 WeakPolarHBondContact O-CA 3.32Å; N585-G589 PolarHBondContact O-N 3.11Å
586	R	96.9	Very high	97	Very high	50 Å²	50	36.2 Å²	36.2	19%	0.189	19%	0.188	C	C	.	.	H	α-helix	trans	-73.2	-40.3	175.6	-69.8	179.7	169.7	-159.6	-3	111.9	V582 L583 H593 V613 V614 E623	V582-R586 HydrophobicContact CG1-CG 4.44Å; V582-R586 WeakPolarHBondContact O-CG 3.35Å; V582-R586 PolarHBondContact O-N 3.01Å; L583-R586 PolarHBondContact O-N 2.88Å; R586-H593 PolarHBondContact O-ND1 2.87Å; R586-V613 HydrophobicContact CB-CB 4.03Å; R586-V613 HydrophobicContact CB-CG2 4.23Å; R586-V613 WeakPolarHBondContact CD-O 3.29Å; R586-V613 PolarHBondContact NH1-O 3.18Å; R586-V614 VanDerWaalsContact NH1-C 3.31Å; R586-V614 PolarHBondContact NH1-O 2.83Å; R586-E623 IonicContact CZ-OE1 3.28Å; R586-E623 IonicContact CZ-OE2 3.29Å; R586-E623 IonicContact NE-OE1 3.72Å; R586-E623 IonicContact NE-OE2 3.03Å; R586-E623 PolarHBondContact NE-OE2 2.99Å; R586-E623 IonicContact NH2-OE1 2.71Å; R586-E623 PolarHBondContact NH2-OE1 2.92Å; R586-E623 IonicContact NH2-OE2 2.69Å; R586-E623 PolarHBondContact NH2-OE2 2.63Å; R586-E623 VanDerWaalsContact NH2-OE2 3.1Å
587	L	96.8	Very high	96.8	Very high	5 Å²	5	36.3 Å²	36.3	3%	0.026	19%	0.189	C	C	.	.	H	α-helix	trans	-64.9	-49.2	174.1	-67.5	170.8	0	0	0	112	L583 H593 R606 L607 V610 V613	L583-L587 WeakPolarHBondContact O-CB 3.43Å; L583-L587 VanDerWaalsContact O-CG 3.28Å; L583-L587 WeakPolarHBondContact O-CG 3.41Å; L583-L587 PolarHBondContact O-N 3.26Å; L587-H593 WeakPolarHBondContact O-CB 3.44Å; L587-H593 PolarHBondContact O-ND1 2.74Å; L587-R606 HydrophobicContact CD2-CG 3.81Å; L587-R606 VanDerWaalsContact CD2-O 3.3Å; L587-R606 WeakPolarHBondContact CD2-O 3.27Å; L587-L607 HydrophobicContact CD1-CD2 4.03Å; L587-V610 HydrophobicContact CD1-CB 4.41Å; L587-V610 HydrophobicContact CD1-CG2 4.17Å; L587-V613 HydrophobicContact CD2-CB 4.45Å; L587-V613 HydrophobicContact CD2-CG1 3.7Å; L587-V613 HydrophobicContact CD2-CG2 3.89Å; L587-V613 HydrophobicContact CG-CG1 4.42Å; L587-V613 HydrophobicContact CG-CG2 4Å
588	F	97.4	Very high	96.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-129.2	6.8	-164.6	-53.7	-64.8	0	0	0	115.3	I529 F532 L533 L584 R594 I603 R606 L607	I529-F588 HydrophobicContact CG2-CB 3.96Å; F532-F588 HydrophobicContact CD1-CB 4.45Å; F532-F588 HydrophobicContact CD1-CD1 4.48Å; F532-F588 HydrophobicContact CD1-CG 4.46Å; F532-F588 HydrophobicContact CE1-CB 4.36Å; F532-F588 AromaticContact CE1-CD1 3.61Å; F532-F588 HydrophobicContact CE1-CD1 3.61Å; F532-F588 HydrophobicContact CE1-CE1 4.06Å; F532-F588 AromaticContact CE1-CG 3.98Å; F532-F588 HydrophobicContact CE1-CG 3.98Å; F532-F588 HydrophobicContact CZ-CD1 4.23Å; L533-F588 HydrophobicContact CD2-CD2 4.43Å; L533-F588 HydrophobicContact CD2-CE2 4.47Å; L584-F588 HydrophobicContact CD2-CD2 4.15Å; L584-F588 HydrophobicContact CD2-CE2 4.2Å; L584-F588 WeakPolarHBondContact O-CB 3.42Å; L584-F588 PolarHBondContact O-N 2.94Å; F588-R594 HydrophobicContact CB-CG 4.09Å; F588-R594 WeakPolarHBondContact O-CD 3.49Å; F588-R594 WeakPolarHBondContact O-CG 3.23Å; F588-R594 PolarHBondContact O-NH1 3.14Å; F588-I603 HydrophobicContact CE1-CG2 4.1Å; F588-I603 HydrophobicContact CE2-CG2 4.22Å; F588-I603 HydrophobicContact CZ-CG2 3.64Å; F588-R606 HydrophobicContact CE1-CB 4.15Å; F588-R606 HydrophobicContact CE1-CG 3.88Å; F588-R606 HydrophobicContact CZ-CB 4.02Å; F588-R606 HydrophobicContact CZ-CG 3.94Å; F588-L607 HydrophobicContact CE2-CD2 4.01Å; F588-L607 HydrophobicContact CE2-CG 4.14Å; F588-L607 HydrophobicContact CZ-CG 4.29Å
589	G	96.2	Very high	96.3	Very high	20 Å²	20	44.5 Å²	44.5	21%	0.206	23%	0.234	C	C	.	.	S	Bend	trans	-68.7	-44.1	179.9	0	0	0	0	0	113.1	N585 R594	N585-G589 WeakPolarHBondContact O-CA 3.32Å; N585-G589 PolarHBondContact O-N 3.11Å; G589-R594 PolarHBondContact O-NH1 3.13Å
590	H	95.9	Very high	96.1	Very high	112 Å²	112	47 Å²	47	52%	0.519	25%	0.247	S	C	.	.	S	Bend	trans	-73.8	135.8	178.5	-165.5	-108.6	0	0	0	111.9	S592 H593	H590-S592 VanDerWaalsContact C-N 3.25Å; H590-S592 PolarHBondContact ND1-N 2.58Å; H590-S592 PolarHBondContact ND1-OG 2.97Å; H590-S592 PolarHBondContact O-N 3.49Å; H590-H593 PolarHBondContact O-N 2.79Å
591	P	96.1	Very high	96	Very high	64 Å²	64	52.6 Å²	52.6	42%	0.416	28%	0.277	S	S	.	.	H	α-helix	trans	-60.5	-25.8	-177.2	-27.1	36.1	0	0	0	115.5	K595	P591-K595 WeakPolarHBondContact O-CG 3.3Å; P591-K595 PolarHBondContact O-N 2.85Å; P591-K595 VanDerWaalsContact O-N 3.13Å
592	S	95.9	Very high	95.9	Very high	57 Å²	57	55.1 Å²	55.1	40%	0.399	29%	0.291	S	S	.	.	H	α-helix	trans	-65.9	-43.9	176.6	60.9	0	0	0	0	112	H590 R594 K595 S596	H590-S592 VanDerWaalsContact C-N 3.25Å; H590-S592 PolarHBondContact ND1-N 2.58Å; H590-S592 PolarHBondContact ND1-OG 2.97Å; H590-S592 PolarHBondContact O-N 3.49Å; S592-R594 PolarHBondContact O-N 3.25Å; S592-K595 CarbonylContact O-C 3.59Å; S592-K595 WeakPolarHBondContact O-CA 3.35Å; S592-K595 WeakPolarHBondContact O-CB 3.24Å; S592-K595 PolarHBondContact O-N 2.61Å; S592-S596 PolarHBondContact O-N 3.31Å; S592-S596 PolarHBondContact O-OG 3.47Å
593	H	94.6	Very high	95.8	Very high	75 Å²	75	54.8 Å²	54.8	35%	0.347	29%	0.289	S	S	.	.	H	α-helix	trans	-63.4	-32.7	-177.8	-54.4	178.3	0	0	0	111.9	R586 L587 H590 S596	R586-H593 PolarHBondContact O-ND1 2.87Å; L587-H593 WeakPolarHBondContact O-CB 3.44Å; L587-H593 PolarHBondContact O-ND1 2.74Å; H590-H593 PolarHBondContact O-N 2.79Å; H593-S596 WeakPolarHBondContact CA-OG 3.27Å; H593-S596 PolarHBondContact O-OG 3.09Å
594	R	95.8	Very high	95.7	Very high	47 Å²	47	56.9 Å²	56.9	18%	0.177	30%	0.3	C	S	.	.	H	α-helix	trans	-76.2	-26.5	173.2	-61.4	-164.8	-61.8	-99.4	0	113.4	F532 F588 G589 S592	F532-R594 HydrophobicContact CD1-CG 3.98Å; F532-R594 HydrophobicContact CD2-CB 3.8Å; F532-R594 HydrophobicContact CD2-CG 4.05Å; F532-R594 HydrophobicContact CE1-CG 4.13Å; F532-R594 HydrophobicContact CE2-CB 3.76Å; F532-R594 HydrophobicContact CE2-CG 4.19Å; F532-R594 VanDerWaalsContact CE2-O 3.28Å; F532-R594 WeakPolarHBondContact CE2-O 3.41Å; F532-R594 HydrophobicContact CG-CB 4.21Å; F532-R594 HydrophobicContact CG-CG 3.94Å; F532-R594 HydrophobicContact CZ-CB 4.15Å; F532-R594 HydrophobicContact CZ-CG 4.22Å; F588-R594 HydrophobicContact CB-CG 4.09Å; F588-R594 WeakPolarHBondContact O-CD 3.49Å; F588-R594 WeakPolarHBondContact O-CG 3.23Å; F588-R594 PolarHBondContact O-NH1 3.14Å; G589-R594 PolarHBondContact O-NH1 3.13Å; S592-R594 PolarHBondContact O-N 3.25Å
595	K	94.4	Very high	95.5	Very high	179 Å²	179	62.4 Å²	62.4	78%	0.778	33%	0.327	S	S	*	.	H	α-helix	trans	-80.6	-24.8	174.9	-76.7	178.7	175.5	-170.8	0	112.7	P591 S592 C597	P591-K595 WeakPolarHBondContact O-CG 3.3Å; P591-K595 PolarHBondContact O-N 2.85Å; P591-K595 VanDerWaalsContact O-N 3.13Å; S592-K595 CarbonylContact O-C 3.59Å; S592-K595 WeakPolarHBondContact O-CA 3.35Å; S592-K595 WeakPolarHBondContact O-CB 3.24Å; S592-K595 PolarHBondContact O-N 2.61Å; K595-C597 VanDerWaalsContact C-N 3.34Å
596	S	94.8	Very high	95.4	Very high	63 Å²	63	63 Å²	63	44%	0.441	33%	0.325	S	S	.	.	S	Bend	trans	-80.9	-8.5	176.4	50	0	0	0	0	114.4	S592 H593	S592-S596 PolarHBondContact O-N 3.31Å; S592-S596 PolarHBondContact O-OG 3.47Å; H593-S596 WeakPolarHBondContact CA-OG 3.27Å; H593-S596 PolarHBondContact O-OG 3.09Å
597	C	94.3	Very high	95.3	Very high	2 Å²	2	61 Å²	61	1%	0.014	32%	0.318	C	S	.	.			trans	-93.3	120.7	169.2	-65.6	0	0	0	0	109.3	F532 K595 D602 I603 R606	F532-C597 HydrophobicContact CE2-CB 4.29Å; F532-C597 HydrophobicContact CZ-CB 3.87Å; K595-C597 VanDerWaalsContact C-N 3.34Å; C597-D602 HydrophobicContact CB-CB 3.77Å; C597-I603 HydrophobicContact CB-CD1 4.44Å; C597-I603 HydrophobicContact CB-CG1 3.74Å; C597-R606 PolarHBondContact SG-NH1 3.44Å
598	Q	91.1	Very high	95.1	Very high	169 Å²	169	68 Å²	68	79%	0.79	34%	0.344	S	S	*	.			trans	-95	-38.5	-179.2	-53.2	-171.5	32.8	0	0	111.2	Y536 D602	Y536-Q598 WeakPolarHBondContact CE1-O 3.25Å; Q598-D602 WeakPolarHBondContact CA-OD2 3.23Å; Q598-D602 WeakPolarHBondContact CB-OD2 3.32Å; Q598-D602 PolarHBondContact N-OD2 3.03Å
599	G	94.1	Very high	94.7	Very high	25 Å²	25	72.2 Å²	72.2	26%	0.258	36%	0.364	S	S	.	.	S	Bend	trans	-129.3	-169.4	178.3	0	0	0	0	0	114.4	D602	G599-D602 PolarHBondContact N-OD2 2.6Å
600	L	95.7	Very high	94.6	Very high	52 Å²	52	71.3 Å²	71.3	27%	0.272	35%	0.354	S	S	.	.	H	α-helix	trans	-66.5	-41.4	175.6	172.6	58.4	0	0	0	111.2	V538 D602 I603 L604	V538-L600 HydrophobicContact CB-CD1 4.42Å; V538-L600 HydrophobicContact CG2-CD1 3.74Å; L600-D602 VanDerWaalsContact C-N 3.35Å; L600-D602 PolarHBondContact O-N 3.44Å; L600-I603 WeakPolarHBondContact O-CA 3.31Å; L600-I603 WeakPolarHBondContact O-CB 3.2Å; L600-I603 PolarHBondContact O-N 3.15Å; L600-L604 HydrophobicContact CD1-CD1 4.06Å; L600-L604 HydrophobicContact CD1-CD2 4.21Å; L600-L604 HydrophobicContact CD1-CG 3.88Å; L600-L604 HydrophobicContact CD2-CD1 4.36Å; L600-L604 HydrophobicContact CG-CD1 3.85Å; L600-L604 HydrophobicContact CG-CG 4.11Å; L600-L604 PolarHBondContact O-N 3.17Å
601	D	95.6	Very high	94.4	Very high	117 Å²	117	67.8 Å²	67.8	63%	0.626	34%	0.342	S	S	*	.	H	α-helix	trans	-61.7	-39.5	-175.6	-52.7	-78.8	0	0	0	112.6	I603 L604 M605	D601-I603 PolarHBondContact O-N 3.04Å; D601-L604 PolarHBondContact O-N 3.12Å; D601-M605 WeakPolarHBondContact O-CB 3.38Å; D601-M605 WeakPolarHBondContact O-CG 3.25Å; D601-M605 PolarHBondContact O-N 2.71Å
602	D	96.2	Very high	94.2	Very high	55 Å²	55	68.8 Å²	68.8	29%	0.294	35%	0.35	S	S	.	.	H	α-helix	trans	-59	-31.2	173.5	-61.9	-62.5	0	0	0	112.9	C597 Q598 G599 L600 R606	C597-D602 HydrophobicContact CB-CB 3.77Å; Q598-D602 WeakPolarHBondContact CA-OD2 3.23Å; Q598-D602 WeakPolarHBondContact CB-OD2 3.32Å; Q598-D602 PolarHBondContact N-OD2 3.03Å; G599-D602 PolarHBondContact N-OD2 2.6Å; L600-D602 VanDerWaalsContact C-N 3.35Å; L600-D602 PolarHBondContact O-N 3.44Å; D602-R606 VanDerWaalsContact O-CB 3.28Å; D602-R606 WeakPolarHBondContact O-CB 3.3Å; D602-R606 PolarHBondContact O-N 3.28Å
603	I	96.9	Very high	94.1	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-81.5	-41.7	179.8	-56.1	171.8	0	0	0	109.4	F532 L533 Y536 V538 F588 C597 L600 D601 R606 L607	F532-I603 HydrophobicContact CE1-CD1 3.82Å; F532-I603 HydrophobicContact CE1-CG1 4.11Å; F532-I603 HydrophobicContact CE1-CG2 4.49Å; F532-I603 HydrophobicContact CE2-CD1 4.18Å; F532-I603 HydrophobicContact CZ-CD1 3.53Å; F532-I603 HydrophobicContact CZ-CG1 3.78Å; L533-I603 HydrophobicContact CD2-CG2 3.95Å; Y536-I603 HydrophobicContact CD2-CD1 3.76Å; Y536-I603 HydrophobicContact CG-CD1 3.69Å; V538-I603 HydrophobicContact CG2-CB 4.36Å; V538-I603 HydrophobicContact CG2-CD1 3.96Å; V538-I603 HydrophobicContact CG2-CG2 3.9Å; F588-I603 HydrophobicContact CE1-CG2 4.1Å; F588-I603 HydrophobicContact CE2-CG2 4.22Å; F588-I603 HydrophobicContact CZ-CG2 3.64Å; C597-I603 HydrophobicContact CB-CD1 4.44Å; C597-I603 HydrophobicContact CB-CG1 3.74Å; L600-I603 WeakPolarHBondContact O-CA 3.31Å; L600-I603 WeakPolarHBondContact O-CB 3.2Å; L600-I603 PolarHBondContact O-N 3.15Å; D601-I603 PolarHBondContact O-N 3.04Å; I603-R606 PolarHBondContact O-N 3.16Å; I603-L607 HydrophobicContact CG2-CD1 4.09Å; I603-L607 WeakPolarHBondContact O-CB 3.38Å; I603-L607 VanDerWaalsContact O-CG 3.29Å; I603-L607 WeakPolarHBondContact O-CG 3.44Å; I603-L607 PolarHBondContact O-N 2.94Å
604	L	95.7	Very high	94.1	Very high	43 Å²	43	64.4 Å²	64.4	23%	0.225	33%	0.327	C	S	.	.	H	α-helix	trans	-66.1	-40.7	176.8	-64.9	-179.6	0	0	0	112.2	F542 L600 D601 L607 R608	F542-L604 HydrophobicContact CB-CD2 3.97Å; F542-L604 HydrophobicContact CD2-CD2 4.08Å; F542-L604 HydrophobicContact CG-CD2 4.18Å; L600-L604 HydrophobicContact CD1-CD1 4.06Å; L600-L604 HydrophobicContact CD1-CD2 4.21Å; L600-L604 HydrophobicContact CD1-CG 3.88Å; L600-L604 HydrophobicContact CD2-CD1 4.36Å; L600-L604 HydrophobicContact CG-CD1 3.85Å; L600-L604 HydrophobicContact CG-CG 4.11Å; L600-L604 PolarHBondContact O-N 3.17Å; D601-L604 PolarHBondContact O-N 3.12Å; L604-L607 HydrophobicContact CD2-CD1 4.33Å; L604-L607 PolarHBondContact O-N 3.13Å; L604-R608 WeakPolarHBondContact O-CG 3.39Å; L604-R608 PolarHBondContact O-N 3.1Å; L604-R608 VanDerWaalsContact O-N 3.13Å
605	M	94.1	Very high	93.9	Very high	117 Å²	117	65 Å²	65	58%	0.576	35%	0.347	S	S	*	.	H	α-helix	trans	-60.1	-49	171.4	-73.1	-171.6	70.2	0	0	111	D601 L607 R608 E609	D601-M605 WeakPolarHBondContact O-CB 3.38Å; D601-M605 WeakPolarHBondContact O-CG 3.25Å; D601-M605 PolarHBondContact O-N 2.71Å; M605-L607 VanDerWaalsContact C-N 3.26Å; M605-L607 PolarHBondContact O-N 2.96Å; M605-R608 WeakPolarHBondContact O-CB 3.39Å; M605-R608 PolarHBondContact O-N 3.31Å; M605-E609 PolarHBondContact O-N 3.07Å; M605-E609 VanDerWaalsContact O-N 3.09Å
606	R	94.5	Very high	93.8	Very high	70 Å²	70	63 Å²	63	26%	0.264	34%	0.338	S	S	.	.	H	α-helix	trans	-63.7	-29	178.7	-168.7	141.1	-66.6	113.1	12.1	113.4	L587 F588 C597 D602 I603 E609	L587-R606 HydrophobicContact CD2-CG 3.81Å; L587-R606 VanDerWaalsContact CD2-O 3.3Å; L587-R606 WeakPolarHBondContact CD2-O 3.27Å; F588-R606 HydrophobicContact CE1-CB 4.15Å; F588-R606 HydrophobicContact CE1-CG 3.88Å; F588-R606 HydrophobicContact CZ-CB 4.02Å; F588-R606 HydrophobicContact CZ-CG 3.94Å; C597-R606 PolarHBondContact SG-NH1 3.44Å; D602-R606 VanDerWaalsContact O-CB 3.28Å; D602-R606 WeakPolarHBondContact O-CB 3.3Å; D602-R606 PolarHBondContact O-N 3.28Å; I603-R606 PolarHBondContact O-N 3.16Å; R606-E609 IonicContact NH2-OE2 2.71Å
607	L	95.6	Very high	93.7	Very high	9 Å²	9	61.4 Å²	61.4	5%	0.047	33%	0.325	C	S	.	.	H	α-helix	trans	-72.1	-28.5	171.7	-78.3	165.9	0	0	0	113.1	V538 V543 W547 L584 L587 F588 I603 L604 M605 V610	V538-L607 HydrophobicContact CG1-CD1 4.34Å; V543-L607 HydrophobicContact CG2-CD1 4.07Å; V543-L607 HydrophobicContact CG2-CD2 4.17Å; W547-L607 HydrophobicContact CH2-CD2 4Å; W547-L607 HydrophobicContact CZ2-CD2 3.92Å; L584-L607 HydrophobicContact CD2-CD2 3.78Å; L587-L607 HydrophobicContact CD1-CD2 4.03Å; F588-L607 HydrophobicContact CE2-CD2 4.01Å; F588-L607 HydrophobicContact CE2-CG 4.14Å; F588-L607 HydrophobicContact CZ-CG 4.29Å; I603-L607 HydrophobicContact CG2-CD1 4.09Å; I603-L607 WeakPolarHBondContact O-CB 3.38Å; I603-L607 VanDerWaalsContact O-CG 3.29Å; I603-L607 WeakPolarHBondContact O-CG 3.44Å; I603-L607 PolarHBondContact O-N 2.94Å; L604-L607 HydrophobicContact CD2-CD1 4.33Å; L604-L607 PolarHBondContact O-N 3.13Å; M605-L607 VanDerWaalsContact C-N 3.26Å; M605-L607 PolarHBondContact O-N 2.96Å; L607-V610 WeakPolarHBondContact O-CB 3.46Å; L607-V610 WeakPolarHBondContact O-CG1 3.25Å
608	R	92.3	Very high	93.6	Very high	151 Å²	151	66.4 Å²	66.4	57%	0.57	35%	0.351	S	S	*	.	H	α-helix	trans	-75.1	-34.1	172.7	-67.8	176.1	-177.1	-82.5	8.9	112.1	L604 M605 V610	L604-R608 WeakPolarHBondContact O-CG 3.39Å; L604-R608 PolarHBondContact O-N 3.1Å; L604-R608 VanDerWaalsContact O-N 3.13Å; M605-R608 WeakPolarHBondContact O-CB 3.39Å; M605-R608 PolarHBondContact O-N 3.31Å; R608-V610 PolarHBondContact O-N 3.19Å
609	E	88.8	Confident	93.8	Very high	89 Å²	89	61.5 Å²	61.5	42%	0.416	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-71.6	9.2	176.4	-66.5	173.3	164.1	0	0	114.3	M605 R606 S611 S612	M605-E609 PolarHBondContact O-N 3.07Å; M605-E609 VanDerWaalsContact O-N 3.09Å; R606-E609 IonicContact NH2-OE2 2.71Å; E609-S611 PolarHBondContact O-N 3.3Å; E609-S611 VanDerWaalsContact O-N 3.08Å; E609-S612 WeakPolarHBondContact O-CB 3.4Å; E609-S612 PolarHBondContact O-N 3.49Å; E609-S612 PolarHBondContact O-OG 3.35Å
610	V	93.8	Very high	93.9	Very high	2 Å²	2	60.3 Å²	60.3	1%	0.012	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-59.8	-23.4	-169.2	65.2	0	0	0	0	115.3	W547 L556 L583 L587 L607 R608 S612 V613	W547-V610 HydrophobicContact CH2-CG2 3.99Å; W547-V610 HydrophobicContact CZ2-CB 4.03Å; W547-V610 HydrophobicContact CZ2-CG1 4.11Å; W547-V610 HydrophobicContact CZ2-CG2 3.7Å; L556-V610 HydrophobicContact CD2-CG1 4.36Å; L556-V610 HydrophobicContact CD2-CG2 4.23Å; L583-V610 HydrophobicContact CB-CG2 3.88Å; L583-V610 HydrophobicContact CD1-CG2 3.78Å; L583-V610 HydrophobicContact CD2-CG2 3.73Å; L583-V610 HydrophobicContact CG-CG2 3.98Å; L587-V610 HydrophobicContact CD1-CB 4.41Å; L587-V610 HydrophobicContact CD1-CG2 4.17Å; L607-V610 WeakPolarHBondContact O-CB 3.46Å; L607-V610 WeakPolarHBondContact O-CG1 3.25Å; R608-V610 PolarHBondContact O-N 3.19Å; V610-S612 VanDerWaalsContact C-N 3.27Å; V610-S612 PolarHBondContact O-N 3.32Å; V610-V613 HydrophobicContact CG2-CG2 4.28Å; V610-V613 VanDerWaalsContact O-CG2 3.23Å; V610-V613 WeakPolarHBondContact O-CG2 3.48Å; V610-V613 PolarHBondContact O-N 2.99Å
611	S	92.5	Very high	94	Very high	37 Å²	37	58.1 Å²	58.1	26%	0.259	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-59.1	-37.6	173.3	55.1	0	0	0	0	112.5	E609 V613 V614	E609-S611 PolarHBondContact O-N 3.3Å; E609-S611 VanDerWaalsContact O-N 3.08Å; S611-V613 VanDerWaalsContact C-N 3.31Å; S611-V613 PolarHBondContact O-N 3.01Å; S611-V614 WeakPolarHBondContact O-CB 3.31Å; S611-V614 WeakPolarHBondContact O-CG2 3.4Å; S611-V614 PolarHBondContact O-N 3.18Å
612	S	91.3	Very high	94.1	Very high	85 Å²	85	59.2 Å²	59.2	59%	0.594	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-62.7	-34.6	-177.3	67	0	0	0	0	113.1	E609 V610 V614	E609-S612 WeakPolarHBondContact O-CB 3.4Å; E609-S612 PolarHBondContact O-N 3.49Å; E609-S612 PolarHBondContact O-OG 3.35Å; V610-S612 VanDerWaalsContact C-N 3.27Å; V610-S612 PolarHBondContact O-N 3.32Å; S612-V614 VanDerWaalsContact C-N 3.25Å; S612-V614 PolarHBondContact O-N 3.19Å
613	V	94.3	Very high	94.1	Very high	36 Å²	36	59.8 Å²	59.8	22%	0.218	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-82	3.9	-177.4	-60.7	0	0	0	0	113.9	L583 R586 L587 V610 S611	L583-V613 HydrophobicContact CD2-CG2 4.19Å; R586-V613 HydrophobicContact CB-CB 4.03Å; R586-V613 HydrophobicContact CB-CG2 4.23Å; R586-V613 WeakPolarHBondContact CD-O 3.29Å; R586-V613 PolarHBondContact NH1-O 3.18Å; L587-V613 HydrophobicContact CD2-CB 4.45Å; L587-V613 HydrophobicContact CD2-CG1 3.7Å; L587-V613 HydrophobicContact CD2-CG2 3.89Å; L587-V613 HydrophobicContact CG-CG1 4.42Å; L587-V613 HydrophobicContact CG-CG2 4Å; V610-V613 HydrophobicContact CG2-CG2 4.28Å; V610-V613 VanDerWaalsContact O-CG2 3.23Å; V610-V613 WeakPolarHBondContact O-CG2 3.48Å; V610-V613 PolarHBondContact O-N 2.99Å; S611-V613 VanDerWaalsContact C-N 3.31Å; S611-V613 PolarHBondContact O-N 3.01Å
614	V	94.6	Very high	94.2	Very high	5 Å²	5	59.8 Å²	59.8	3%	0.03	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-71.3	-39.3	174.2	176	0	0	0	0	111.5	L556 P557 A560 L583 R586 S611 S612 K616 F620	L556-V614 HydrophobicContact CD2-CG2 3.81Å; P557-V614 HydrophobicContact CG-CB 4.45Å; A560-V614 HydrophobicContact CB-CG1 3.9Å; L583-V614 HydrophobicContact CD2-CG2 4.28Å; R586-V614 VanDerWaalsContact NH1-C 3.31Å; R586-V614 PolarHBondContact NH1-O 2.83Å; S611-V614 WeakPolarHBondContact O-CB 3.31Å; S611-V614 WeakPolarHBondContact O-CG2 3.4Å; S611-V614 PolarHBondContact O-N 3.18Å; S612-V614 VanDerWaalsContact C-N 3.25Å; S612-V614 PolarHBondContact O-N 3.19Å; V614-K616 PolarHBondContact O-N 3.21Å; V614-F620 HydrophobicContact CG1-CB 4.43Å; V614-F620 HydrophobicContact CG1-CD1 3.85Å; V614-F620 HydrophobicContact CG1-CE1 4.21Å; V614-F620 HydrophobicContact CG1-CG 4.11Å; V614-F620 HydrophobicContact CG2-CE1 4.5Å; V614-F620 HydrophobicContact CG2-CZ 4.42Å
615	G	91.5	Very high	94.2	Very high	59 Å²	59	60 Å²	60	61%	0.608	31%	0.306	S	S	*	.			trans	48.8	-137.7	178.4	0	0	0	0	0	113.1	L617	G615-L617 PolarHBondContact O-N 3.26Å
616	K	92.1	Very high	94.3	Very high	136 Å²	136	63.9 Å²	63.9	59%	0.591	31%	0.314	S	S	*	.	S	Bend	trans	-65.7	116.1	178.5	-65	-153.5	172.1	-144.2	0	111.9	V614 D618 N619 F620	V614-K616 PolarHBondContact O-N 3.21Å; K616-D618 PolarHBondContact O-N 3.17Å; K616-N619 HydrophobicContact CB-CB 4.44Å; K616-N619 WeakPolarHBondContact O-CB 3.49Å; K616-N619 PolarHBondContact O-N 3.08Å; K616-F620 PolarHBondContact O-N 3.42Å; K616-F620 VanDerWaalsContact O-N 3.12Å
617	L	92.6	Very high	94.4	Very high	31 Å²	31	61 Å²	61	16%	0.162	31%	0.305	C	S	.	.	H	α-helix	trans	-58.2	-43.2	-171.6	-178.1	52.1	0	0	0	113.3	A560 R563 G615 N619 F620 I621	A560-L617 HydrophobicContact CB-CD1 3.83Å; R563-L617 HydrophobicContact CB-CD1 4.26Å; R563-L617 HydrophobicContact CG-CD1 4.37Å; R563-L617 HydrophobicContact CG-CD2 3.86Å; R563-L617 HydrophobicContact CG-CG 4.29Å; G615-L617 PolarHBondContact O-N 3.26Å; L617-N619 VanDerWaalsContact C-N 3.26Å; L617-N619 PolarHBondContact O-N 3.35Å; L617-F620 HydrophobicContact CD1-CD1 4.31Å; L617-F620 PolarHBondContact O-N 3.5Å; L617-I621 HydrophobicContact CD1-CD1 4.39Å; L617-I621 HydrophobicContact CD1-CG1 3.92Å; L617-I621 HydrophobicContact CG-CG1 4.48Å; L617-I621 WeakPolarHBondContact O-CG1 3.36Å; L617-I621 PolarHBondContact O-N 2.97Å
618	D	92.5	Very high	94.4	Very high	106 Å²	106	65 Å²	65	57%	0.567	33%	0.331	S	S	*	.	H	α-helix	trans	-68.6	-19.4	176.9	-97.7	6	0	0	0	113.5	K616 R622	K616-D618 PolarHBondContact O-N 3.17Å; D618-R622 WeakPolarHBondContact O-CB 3.45Å; D618-R622 WeakPolarHBondContact O-CG 3.42Å; D618-R622 PolarHBondContact O-NE 3.03Å
619	N	95	Very high	94.6	Very high	67 Å²	67	58.1 Å²	58.1	36%	0.358	31%	0.306	S	S	.	.	H	α-helix	trans	-77.7	-48.5	169.4	-66.7	-2.1	0	0	0	109.9	K616 L617 I621 R622 E623	K616-N619 HydrophobicContact CB-CB 4.44Å; K616-N619 WeakPolarHBondContact O-CB 3.49Å; K616-N619 PolarHBondContact O-N 3.08Å; L617-N619 VanDerWaalsContact C-N 3.26Å; L617-N619 PolarHBondContact O-N 3.35Å; N619-I621 PolarHBondContact O-N 3.03Å; N619-R622 PolarHBondContact O-N 3.26Å; N619-R622 VanDerWaalsContact O-N 3.15Å; N619-R622 PolarHBondContact OD1-NH2 2.93Å; N619-E623 PolarHBondContact O-N 3.45Å
620	F	97.1	Very high	94.8	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-57.6	-49.3	179.5	176.8	-116.8	0	0	0	112.5	L556 I564 V579 V582 L583 V614 K616 L617 R622 E623 V624	L556-F620 HydrophobicContact CD1-CZ 4.32Å; I564-F620 HydrophobicContact CD1-CE1 4.01Å; I564-F620 HydrophobicContact CD1-CZ 4.41Å; V579-F620 HydrophobicContact CG1-CZ 4.09Å; V582-F620 HydrophobicContact CB-CE2 4.34Å; V582-F620 HydrophobicContact CG1-CD2 3.71Å; V582-F620 HydrophobicContact CG1-CE2 3.77Å; L583-F620 HydrophobicContact CD2-CE2 3.58Å; L583-F620 HydrophobicContact CD2-CZ 3.82Å; L583-F620 HydrophobicContact CG-CE2 4.09Å; L583-F620 HydrophobicContact CG-CZ 4.26Å; V614-F620 HydrophobicContact CG1-CB 4.43Å; V614-F620 HydrophobicContact CG1-CD1 3.85Å; V614-F620 HydrophobicContact CG1-CE1 4.21Å; V614-F620 HydrophobicContact CG1-CG 4.11Å; V614-F620 HydrophobicContact CG2-CE1 4.5Å; V614-F620 HydrophobicContact CG2-CZ 4.42Å; K616-F620 PolarHBondContact O-N 3.42Å; K616-F620 VanDerWaalsContact O-N 3.12Å; L617-F620 HydrophobicContact CD1-CD1 4.31Å; L617-F620 PolarHBondContact O-N 3.5Å; F620-R622 VanDerWaalsContact C-N 3.32Å; F620-R622 PolarHBondContact O-N 2.92Å; F620-E623 WeakPolarHBondContact O-CB 3.14Å; F620-E623 PolarHBondContact O-N 2.95Å; F620-E623 VanDerWaalsContact O-N 3.14Å; F620-V624 HydrophobicContact CD2-CG2 4.39Å; F620-V624 HydrophobicContact CE2-CG2 4.14Å; F620-V624 HydrophobicContact CZ-CG2 4.24Å; F620-V624 WeakPolarHBondContact O-CG2 3.38Å; F620-V624 PolarHBondContact O-N 3.16Å
621	I	96.8	Very high	94.7	Very high	5 Å²	5	59 Å²	59	3%	0.026	32%	0.321	C	S	.	.	H	α-helix	trans	-62.4	-38.4	176.5	-64.9	-63.2	0	0	0	111.5	R563 L567 L617 N619 E623 V624 V625	R563-I621 HydrophobicContact CB-CD1 3.81Å; R563-I621 HydrophobicContact CB-CG1 4.15Å; L567-I621 HydrophobicContact CD1-CD1 4.21Å; L567-I621 HydrophobicContact CD1-CG2 4.17Å; L617-I621 HydrophobicContact CD1-CD1 4.39Å; L617-I621 HydrophobicContact CD1-CG1 3.92Å; L617-I621 HydrophobicContact CG-CG1 4.48Å; L617-I621 WeakPolarHBondContact O-CG1 3.36Å; L617-I621 PolarHBondContact O-N 2.97Å; N619-I621 PolarHBondContact O-N 3.03Å; I621-E623 VanDerWaalsContact C-N 3.34Å; I621-E623 PolarHBondContact O-N 3.31Å; I621-V624 PolarHBondContact O-N 3.37Å; I621-V625 HydrophobicContact CG2-CG2 4.35Å; I621-V625 WeakPolarHBondContact O-CB 3.34Å; I621-V625 WeakPolarHBondContact O-CG2 3.48Å; I621-V625 PolarHBondContact O-N 3.48Å
622	R	96.7	Very high	94.8	Very high	141 Å²	141	64.8 Å²	64.8	53%	0.532	34%	0.341	S	S	.	.	H	α-helix	trans	-65.6	-34.6	174.9	-76.5	-176.2	-65.8	173.6	-0.4	112.8	D618 N619 F620 R626	D618-R622 WeakPolarHBondContact O-CB 3.45Å; D618-R622 WeakPolarHBondContact O-CG 3.42Å; D618-R622 PolarHBondContact O-NE 3.03Å; N619-R622 PolarHBondContact O-N 3.26Å; N619-R622 VanDerWaalsContact O-N 3.15Å; N619-R622 PolarHBondContact OD1-NH2 2.93Å; F620-R622 VanDerWaalsContact C-N 3.32Å; F620-R622 PolarHBondContact O-N 2.92Å; R622-R626 WeakPolarHBondContact O-CB 3.48Å; R622-R626 VanDerWaalsContact O-CD 3.31Å; R622-R626 WeakPolarHBondContact O-CD 3.47Å; R622-R626 WeakPolarHBondContact O-CG 3.41Å; R622-R626 PolarHBondContact O-N 2.82Å
623	E	97.7	Very high	94.9	Very high	67 Å²	67	64.9 Å²	64.9	31%	0.313	33%	0.333	S	S	.	.	H	α-helix	trans	-68.4	-47.9	173	-76.3	161.3	-125.9	0	0	111.6	V582 R586 N619 F620 I621 V625 R626 V627	V582-E623 HydrophobicContact CG1-CB 3.93Å; V582-E623 HydrophobicContact CG2-CB 3.98Å; R586-E623 IonicContact CZ-OE1 3.28Å; R586-E623 IonicContact CZ-OE2 3.29Å; R586-E623 IonicContact NE-OE1 3.72Å; R586-E623 IonicContact NE-OE2 3.03Å; R586-E623 PolarHBondContact NE-OE2 2.99Å; R586-E623 IonicContact NH2-OE1 2.71Å; R586-E623 PolarHBondContact NH2-OE1 2.92Å; R586-E623 IonicContact NH2-OE2 2.69Å; R586-E623 PolarHBondContact NH2-OE2 2.63Å; R586-E623 VanDerWaalsContact NH2-OE2 3.1Å; N619-E623 PolarHBondContact O-N 3.45Å; F620-E623 WeakPolarHBondContact O-CB 3.14Å; F620-E623 PolarHBondContact O-N 2.95Å; F620-E623 VanDerWaalsContact O-N 3.14Å; I621-E623 VanDerWaalsContact C-N 3.34Å; I621-E623 PolarHBondContact O-N 3.31Å; E623-V625 VanDerWaalsContact C-N 3.29Å; E623-V625 PolarHBondContact O-N 3.28Å; E623-R626 PolarHBondContact O-N 2.88Å; E623-V627 PolarHBondContact O-N 3.44Å; E623-V627 VanDerWaalsContact O-N 3.16Å
624	V	98.1	Very high	95	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-55.6	-45	178.8	170.1	0	0	0	0	111	K578 V579 V582 F620 I621 R626 V627	K578-V624 HydrophobicContact CB-CG1 3.93Å; K578-V624 WeakPolarHBondContact CD-O 3.4Å; V579-V624 HydrophobicContact CG2-CG1 3.83Å; V579-V624 HydrophobicContact CG2-CG2 4.01Å; V582-V624 HydrophobicContact CB-CG2 4.13Å; V582-V624 HydrophobicContact CG1-CG2 4.44Å; V582-V624 HydrophobicContact CG2-CB 4.46Å; V582-V624 HydrophobicContact CG2-CG2 3.89Å; F620-V624 HydrophobicContact CD2-CG2 4.39Å; F620-V624 HydrophobicContact CE2-CG2 4.14Å; F620-V624 HydrophobicContact CZ-CG2 4.24Å; F620-V624 WeakPolarHBondContact O-CG2 3.38Å; F620-V624 PolarHBondContact O-N 3.16Å; I621-V624 PolarHBondContact O-N 3.37Å; V624-R626 VanDerWaalsContact C-N 3.31Å; V624-R626 PolarHBondContact O-N 3Å; V624-V627 PolarHBondContact O-N 3Å
625	V	95.6	Very high	95	Very high	48 Å²	48	65.7 Å²	65.7	29%	0.291	34%	0.339	S	S	.	.	H	α-helix	trans	-68.6	-30.9	-179.9	174.6	0	0	0	0	112.1	L78 L567 I621 E623	L78-V625 HydrophobicContact CD2-CB 4.14Å; L78-V625 HydrophobicContact CD2-CG1 3.76Å; L78-V625 HydrophobicContact CD2-CG2 3.21Å; L567-V625 HydrophobicContact CD1-CG2 4.28Å; I621-V625 HydrophobicContact CG2-CG2 4.35Å; I621-V625 WeakPolarHBondContact O-CB 3.34Å; I621-V625 WeakPolarHBondContact O-CG2 3.48Å; I621-V625 PolarHBondContact O-N 3.48Å; E623-V625 VanDerWaalsContact C-N 3.29Å; E623-V625 PolarHBondContact O-N 3.28Å
626	R	96.9	Very high	95.2	Very high	197 Å²	197	66.6 Å²	66.6	74%	0.743	33%	0.327	S	S	*	.	H	α-helix	trans	-79.7	-10.4	178.1	-77.5	172.1	173.1	-174.9	-4.9	114.5	R622 E623 V624 P628	R622-R626 WeakPolarHBondContact O-CB 3.48Å; R622-R626 VanDerWaalsContact O-CD 3.31Å; R622-R626 WeakPolarHBondContact O-CD 3.47Å; R622-R626 WeakPolarHBondContact O-CG 3.41Å; R622-R626 PolarHBondContact O-N 2.82Å; E623-R626 PolarHBondContact O-N 2.88Å; V624-R626 VanDerWaalsContact C-N 3.31Å; V624-R626 PolarHBondContact O-N 3Å; R626-P628 WeakPolarHBondContact O-CD 3.39Å
627	V	97.4	Very high	95.5	Very high	11 Å²	11	62 Å²	62	7%	0.067	31%	0.308	C	S	.	.	S	Bend	trans	-58.6	121.8	177.4	178.3	0	0	0	0	109.6	I525 K578 I581 V582 E623 V624 I629	I525-V627 HydrophobicContact CD1-CG1 4.28Å; K578-V627 HydrophobicContact CB-CB 4.06Å; K578-V627 HydrophobicContact CB-CG1 4.42Å; K578-V627 HydrophobicContact CB-CG2 4.2Å; K578-V627 HydrophobicContact CD-CB 4.07Å; K578-V627 WeakPolarHBondContact CE-O 3.43Å; K578-V627 HydrophobicContact CG-CB 3.86Å; K578-V627 HydrophobicContact CG-CG1 4.03Å; K578-V627 PolarHBondContact NZ-O 2.65Å; I581-V627 HydrophobicContact CB-CG1 4.42Å; I581-V627 HydrophobicContact CD1-CG1 4.35Å; I581-V627 HydrophobicContact CG2-CG1 4.11Å; V582-V627 HydrophobicContact CG2-CG2 3.56Å; E623-V627 PolarHBondContact O-N 3.44Å; E623-V627 VanDerWaalsContact O-N 3.16Å; V624-V627 PolarHBondContact O-N 3Å; V627-I629 VanDerWaalsContact C-N 3.26Å; V627-I629 HydrophobicContact CG1-CD1 3.84Å; V627-I629 HydrophobicContact CG1-CG1 4.04Å; V627-I629 PolarHBondContact O-N 2.85Å
628	P	95.3	Very high	95.6	Very high	92 Å²	92	61 Å²	61	60%	0.597	30%	0.303	S	S	*	.			trans	-79.9	74.5	-174.4	33.6	-36	0	0	0	110.6	I525 R626	I525-P628 HydrophobicContact CG1-CG 4.47Å; R626-P628 WeakPolarHBondContact O-CD 3.39Å
629	I	95.4	Very high	95.8	Very high	7 Å²	7	58.2 Å²	58.2	4%	0.036	29%	0.29	C	S	.	.			trans	-127.2	123.5	166.5	-59.2	164.8	0	0	0	107.1	L521 I525 I574 K578 I581 V627 L634	L521-I629 HydrophobicContact CB-CD1 4.37Å; L521-I629 HydrophobicContact CD1-CD1 4.03Å; L521-I629 HydrophobicContact CD2-CD1 4.14Å; L521-I629 HydrophobicContact CD2-CG1 4.18Å; L521-I629 HydrophobicContact CD2-CG2 4.3Å; L521-I629 HydrophobicContact CG-CD1 4.42Å; I525-I629 HydrophobicContact CD1-CD1 3.81Å; I525-I629 HydrophobicContact CD1-CG1 3.49Å; I525-I629 VanDerWaalsContact CD1-CG1 3.49Å; I574-I629 HydrophobicContact CD1-CG2 4Å; I574-I629 HydrophobicContact CG1-CG2 4.35Å; K578-I629 WeakPolarHBondContact CE-O 3.41Å; K578-I629 HydrophobicContact CG-CD1 4.44Å; K578-I629 PolarHBondContact NZ-O 2.86Å; I581-I629 HydrophobicContact CD1-CD1 3.49Å; I581-I629 VanDerWaalsContact CD1-CD1 3.49Å; V627-I629 VanDerWaalsContact C-N 3.26Å; V627-I629 HydrophobicContact CG1-CD1 3.84Å; V627-I629 HydrophobicContact CG1-CG1 4.04Å; V627-I629 PolarHBondContact O-N 2.85Å; I629-L634 HydrophobicContact CG2-CB 4.15Å
630	T	94.2	Very high	95.9	Very high	75 Å²	75	60.6 Å²	60.6	46%	0.46	29%	0.293	S	S	.	.			trans	-87.2	157.2	165.7	66.6	0	0	0	0	110.5	K632 E633 L634	T630-K632 PolarHBondContact O-N 2.74Å; T630-E633 VanDerWaalsContact CB-OE2 3.26Å; T630-E633 WeakPolarHBondContact CB-OE2 3.27Å; T630-E633 WeakPolarHBondContact CG2-OE2 3.47Å; T630-E633 PolarHBondContact N-OE2 3.42Å; T630-E633 PolarHBondContact O-N 2.91Å; T630-E633 VanDerWaalsContact OG1-CD 3.31Å; T630-E633 WeakPolarHBondContact OG1-CG 3.46Å; T630-E633 PolarHBondContact OG1-N 3.38Å; T630-E633 PolarHBondContact OG1-OE2 2.72Å; T630-L634 PolarHBondContact O-N 2.99Å; T630-L634 VanDerWaalsContact O-N 3.17Å
631	A	92	Very high	95.9	Very high	35 Å²	35	61.6 Å²	61.6	29%	0.289	30%	0.298	S	S	.	.	H	α-helix	trans	-57.4	-37.3	174.3	0	0	0	0	0	112.5	L368 L634 S635	L368-A631 HydrophobicContact CD1-CB 3.71Å; L368-A631 HydrophobicContact CD2-CB 3.52Å; L368-A631 HydrophobicContact CG-CB 4.25Å; A631-L634 PolarHBondContact O-N 3.07Å; A631-S635 PolarHBondContact O-N 2.77Å; A631-S635 PolarHBondContact O-OG 2.89Å
632	K	93.8	Very high	95.9	Very high	157 Å²	157	63.4 Å²	63.4	68%	0.683	31%	0.311	S	S	*	.	H	α-helix	trans	-61.8	-44	176.7	-175.3	174.2	-178	173.3	0	112.6	T630 Q636	T630-K632 PolarHBondContact O-N 2.74Å; K632-Q636 WeakPolarHBondContact O-CG 3.47Å; K632-Q636 PolarHBondContact O-N 3.31Å
633	E	93.8	Very high	95.9	Very high	88 Å²	88	62 Å²	62	41%	0.411	31%	0.311	S	S	.	.	H	α-helix	trans	-66.6	-40.9	177.8	-71	159.8	125	0	0	111.9	T630 Q636 Q637	T630-E633 VanDerWaalsContact CB-OE2 3.26Å; T630-E633 WeakPolarHBondContact CB-OE2 3.27Å; T630-E633 WeakPolarHBondContact CG2-OE2 3.47Å; T630-E633 PolarHBondContact N-OE2 3.42Å; T630-E633 PolarHBondContact O-N 2.91Å; T630-E633 VanDerWaalsContact OG1-CD 3.31Å; T630-E633 WeakPolarHBondContact OG1-CG 3.46Å; T630-E633 PolarHBondContact OG1-N 3.38Å; T630-E633 PolarHBondContact OG1-OE2 2.72Å; E633-Q636 PolarHBondContact O-N 3.13Å; E633-Q637 WeakPolarHBondContact O-CG 3.27Å; E633-Q637 PolarHBondContact O-N 2.96Å
634	L	96.1	Very high	95.8	Very high	10 Å²	10	62.7 Å²	62.7	5%	0.052	31%	0.313	C	S	.	.	H	α-helix	trans	-61.5	-50.9	175.7	178.8	62.4	0	0	0	111.2	V517 L521 I574 F577 I629 T630 A631 Q636 Q637 I638	V517-L634 HydrophobicContact CG1-CD1 3.7Å; L521-L634 HydrophobicContact CD1-CD1 3.94Å; I574-L634 HydrophobicContact CB-CD2 3.68Å; I574-L634 HydrophobicContact CD1-CD2 4.43Å; I574-L634 HydrophobicContact CG1-CD2 3.91Å; F577-L634 HydrophobicContact CD1-CD1 4.14Å; F577-L634 HydrophobicContact CD2-CD1 3.85Å; F577-L634 HydrophobicContact CD2-CD2 4Å; F577-L634 HydrophobicContact CE1-CD1 4.03Å; F577-L634 HydrophobicContact CE2-CD1 3.76Å; F577-L634 HydrophobicContact CE2-CD2 4.12Å; F577-L634 HydrophobicContact CG-CD1 4.04Å; F577-L634 HydrophobicContact CZ-CD1 3.84Å; I629-L634 HydrophobicContact CG2-CB 4.15Å; T630-L634 PolarHBondContact O-N 2.99Å; T630-L634 VanDerWaalsContact O-N 3.17Å; A631-L634 PolarHBondContact O-N 3.07Å; L634-Q636 VanDerWaalsContact C-N 3.29Å; L634-Q636 PolarHBondContact O-N 2.94Å; L634-Q637 PolarHBondContact O-N 3.35Å; L634-I638 HydrophobicContact CD1-CD1 4.2Å; L634-I638 HydrophobicContact CD1-CG1 4.34Å; L634-I638 HydrophobicContact CG-CD1 3.96Å; L634-I638 WeakPolarHBondContact O-CG1 3.22Å; L634-I638 PolarHBondContact O-N 3.18Å
635	S	94.5	Very high	95.6	Very high	47 Å²	47	64.6 Å²	64.6	33%	0.329	32%	0.32	S	S	.	.	H	α-helix	trans	-57.3	-40.9	176.6	-63.2	0	0	0	0	112.3	A631 Q637 I638 V639	A631-S635 PolarHBondContact O-N 2.77Å; A631-S635 PolarHBondContact O-OG 2.89Å; S635-Q637 PolarHBondContact O-N 3.43Å; S635-I638 PolarHBondContact O-N 3.31Å; S635-V639 WeakPolarHBondContact O-CG2 3.49Å; S635-V639 PolarHBondContact O-N 2.84Å; S635-V639 VanDerWaalsContact O-N 3.09Å
636	Q	96.2	Very high	95.4	Very high	78 Å²	78	64.5 Å²	64.5	36%	0.364	32%	0.324	S	S	.	.	H	α-helix	trans	-65.3	-35	175.2	-75.7	-173.5	12.6	0	0	113.5	K632 E633 L634 R640	K632-Q636 WeakPolarHBondContact O-CG 3.47Å; K632-Q636 PolarHBondContact O-N 3.31Å; E633-Q636 PolarHBondContact O-N 3.13Å; L634-Q636 VanDerWaalsContact C-N 3.29Å; L634-Q636 PolarHBondContact O-N 2.94Å; Q636-R640 WeakPolarHBondContact O-CD 3.38Å; Q636-R640 WeakPolarHBondContact O-CG 3.48Å; Q636-R640 PolarHBondContact O-N 3.47Å
637	Q	97	Very high	95.3	Very high	41 Å²	41	57 Å²	57	19%	0.192	30%	0.304	C	S	.	.	H	α-helix	trans	-72.9	-40	175.8	-68.8	-59.5	-15.9	0	0	111.8	V517 L521 E633 L634 S635 V639 R640 Q641	V517-Q637 HydrophobicContact CG1-CB 3.84Å; V517-Q637 HydrophobicContact CG2-CB 4.49Å; L521-Q637 HydrophobicContact CD2-CG 4.09Å; L521-Q637 HydrophobicContact CG-CG 4.44Å; E633-Q637 WeakPolarHBondContact O-CG 3.27Å; E633-Q637 PolarHBondContact O-N 2.96Å; L634-Q637 PolarHBondContact O-N 3.35Å; S635-Q637 PolarHBondContact O-N 3.43Å; Q637-V639 PolarHBondContact O-N 2.92Å; Q637-R640 PolarHBondContact O-N 3.29Å; Q637-Q641 WeakPolarHBondContact O-CG 3.46Å; Q637-Q641 PolarHBondContact O-N 2.91Å
638	I	95.5	Very high	94.9	Very high	9 Å²	9	59.7 Å²	59.7	5%	0.046	32%	0.318	C	S	.	.	H	α-helix	trans	-54.1	-54.9	173.5	-68.6	168.4	0	0	0	109.8	V517 L634 S635 R640 Q641 S642	V517-I638 HydrophobicContact CG1-CG1 4.31Å; V517-I638 HydrophobicContact CG2-CG1 4.07Å; L634-I638 HydrophobicContact CD1-CD1 4.2Å; L634-I638 HydrophobicContact CD1-CG1 4.34Å; L634-I638 HydrophobicContact CG-CD1 3.96Å; L634-I638 WeakPolarHBondContact O-CG1 3.22Å; L634-I638 PolarHBondContact O-N 3.18Å; S635-I638 PolarHBondContact O-N 3.31Å; I638-R640 VanDerWaalsContact C-N 3.32Å; I638-R640 PolarHBondContact O-N 3.19Å; I638-Q641 PolarHBondContact O-N 3.35Å; I638-S642 WeakPolarHBondContact O-CB 3.3Å; I638-S642 PolarHBondContact O-N 2.78Å; I638-S642 PolarHBondContact O-OG 3.39Å; I638-S642 VanDerWaalsContact O-OG 3.14Å
639	V	96.7	Very high	94.4	Very high	48 Å²	48	58.8 Å²	58.8	29%	0.291	31%	0.306	S	S	.	.	H	α-helix	trans	-52.4	-48.9	177	172.2	0	0	0	0	111.9	S364 S635 Q637 Q643	S364-V639 WeakPolarHBondContact OG-CG2 3.47Å; S635-V639 WeakPolarHBondContact O-CG2 3.49Å; S635-V639 PolarHBondContact O-N 2.84Å; S635-V639 VanDerWaalsContact O-N 3.09Å; Q637-V639 PolarHBondContact O-N 2.92Å; V639-Q643 WeakPolarHBondContact O-CB 3.23Å; V639-Q643 VanDerWaalsContact O-CG 3.25Å; V639-Q643 WeakPolarHBondContact O-CG 3.39Å; V639-Q643 PolarHBondContact O-N 2.73Å
640	R	97.6	Very high	93.7	Very high	116 Å²	116	64.6 Å²	64.6	44%	0.438	33%	0.333	S	S	.	.	H	α-helix	trans	-64.7	-42.3	-178	-72.9	169.6	-174.5	132.8	8	112.9	Q636 Q637 I638 K644	Q636-R640 WeakPolarHBondContact O-CD 3.38Å; Q636-R640 WeakPolarHBondContact O-CG 3.48Å; Q636-R640 PolarHBondContact O-N 3.47Å; Q637-R640 PolarHBondContact O-N 3.29Å; I638-R640 VanDerWaalsContact C-N 3.32Å; I638-R640 PolarHBondContact O-N 3.19Å; R640-K644 WeakPolarHBondContact O-CB 3.31Å; R640-K644 PolarHBondContact O-N 2.75Å; R640-K644 VanDerWaalsContact O-N 3.11Å
641	Q	97.4	Very high	92.9	Very high	22 Å²	22	68.3 Å²	68.3	10%	0.103	34%	0.342	C	S	.	.	H	α-helix	trans	-76	-36.5	-179.9	-55.9	-39.5	-51.6	0	0	111.7	I513 D516 V517 Q637 I638 Q643 K644 W645	I513-Q641 HydrophobicContact CG2-CB 4.02Å; D516-Q641 HydrophobicContact CB-CB 4.28Å; D516-Q641 HydrophobicContact CB-CG 4.23Å; V517-Q641 HydrophobicContact CB-CG 4.39Å; V517-Q641 HydrophobicContact CG2-CB 3.82Å; V517-Q641 HydrophobicContact CG2-CG 3.62Å; Q637-Q641 WeakPolarHBondContact O-CG 3.46Å; Q637-Q641 PolarHBondContact O-N 2.91Å; I638-Q641 PolarHBondContact O-N 3.35Å; Q641-Q643 PolarHBondContact O-N 2.65Å; Q641-K644 PolarHBondContact O-N 3.48Å; Q641-W645 VanDerWaalsContact O-CB 3.25Å; Q641-W645 WeakPolarHBondContact O-CB 3.41Å; Q641-W645 PolarHBondContact O-N 3.07Å
642	S	95.6	Very high	91.7	Very high	42 Å²	42	71.9 Å²	71.9	29%	0.294	35%	0.353	S	S	.	.	H	α-helix	trans	-59.4	-44	171.4	-64.4	0	0	0	0	112.2	I638 W645 A646	I638-S642 WeakPolarHBondContact O-CB 3.3Å; I638-S642 PolarHBondContact O-N 2.78Å; I638-S642 PolarHBondContact O-OG 3.39Å; I638-S642 VanDerWaalsContact O-OG 3.14Å; S642-W645 PolarHBondContact O-N 2.83Å; S642-A646 PolarHBondContact O-N 3.11Å
643	Q	96.2	Very high	89.8	Confident	113 Å²	113	71.2 Å²	71.2	53%	0.528	37%	0.368	S	S	.	.	H	α-helix	trans	-62.9	-43.8	175.9	-74.3	171.1	-17.3	0	0	112.2	V639 Q641 A647	V639-Q643 WeakPolarHBondContact O-CB 3.23Å; V639-Q643 VanDerWaalsContact O-CG 3.25Å; V639-Q643 WeakPolarHBondContact O-CG 3.39Å; V639-Q643 PolarHBondContact O-N 2.73Å; Q641-Q643 PolarHBondContact O-N 2.65Å; Q643-A647 VanDerWaalsContact O-CB 3.27Å; Q643-A647 WeakPolarHBondContact O-CB 3.35Å; Q643-A647 PolarHBondContact O-N 3.24Å
644	K	96	Very high	89.6	Confident	81 Å²	81	70.4 Å²	70.4	35%	0.352	37%	0.366	S	S	.	.	H	α-helix	trans	-62.7	-39.9	174.7	175.1	-160.6	169.1	-150.8	0	112.2	D516 R640 Q641 A647 N648	D516-K644 IonicContact OD1-NZ 2.76Å; D516-K644 PolarHBondContact OD1-NZ 2.74Å; D516-K644 IonicContact OD2-NZ 3.95Å; D516-K644 PolarHBondContact OD2-NZ 3.08Å; R640-K644 WeakPolarHBondContact O-CB 3.31Å; R640-K644 PolarHBondContact O-N 2.75Å; R640-K644 VanDerWaalsContact O-N 3.11Å; Q641-K644 PolarHBondContact O-N 3.48Å; K644-A647 PolarHBondContact O-N 3.15Å; K644-N648 WeakPolarHBondContact O-CB 3.36Å; K644-N648 VanDerWaalsContact O-CG 3.25Å; K644-N648 PolarHBondContact O-N 3.22Å; K644-N648 VanDerWaalsContact O-N 3.08Å
645	W	93.6	Very high	89.3	Confident	40 Å²	40	73.6 Å²	73.6	15%	0.152	38%	0.383	C	S	.	.	H	α-helix	trans	-63.4	-51.8	178.9	179.9	-89.5	0	0	0	111.2	E509 Q512 I513 Q641 S642 A647 N648 H649	E509-W645 HydrophobicContact CB-CZ2 4.13Å; E509-W645 HydrophobicContact CG-CZ2 4.05Å; E509-W645 PolarHBondContact OE2-NE1 3.21Å; Q512-W645 HydrophobicContact CB-CH2 3.55Å; Q512-W645 HydrophobicContact CB-CZ2 4.3Å; Q512-W645 HydrophobicContact CB-CZ3 3.83Å; Q512-W645 HydrophobicContact CG-CH2 4.25Å; I513-W645 HydrophobicContact CD1-CB 4.12Å; I513-W645 HydrophobicContact CD1-CD2 4.11Å; I513-W645 HydrophobicContact CD1-CG 3.74Å; I513-W645 HydrophobicContact CG1-CB 3.87Å; I513-W645 HydrophobicContact CG1-CD2 3.56Å; I513-W645 HydrophobicContact CG1-CE3 3.89Å; I513-W645 HydrophobicContact CG1-CG 3.56Å; Q641-W645 VanDerWaalsContact O-CB 3.25Å; Q641-W645 WeakPolarHBondContact O-CB 3.41Å; Q641-W645 PolarHBondContact O-N 3.07Å; S642-W645 PolarHBondContact O-N 2.83Å; W645-A647 PolarHBondContact O-N 2.92Å; W645-N648 PolarHBondContact O-N 3.31Å; W645-N648 VanDerWaalsContact O-N 3.09Å; W645-H649 AromaticContact CD1-CE1 3.9Å; W645-H649 AromaticContact CD1-ND1 3.7Å; W645-H649 AromaticContact CD2-CE1 3.58Å; W645-H649 AromaticContact CD2-ND1 3.98Å; W645-H649 AromaticContact CE2-CE1 3.18Å; W645-H649 AromaticContact CE2-ND1 3.8Å; W645-H649 AromaticContact CE2-NE2 3.96Å; W645-H649 AromaticContact CG-ND1 3.94Å; W645-H649 AromaticContact CH2-CE1 3.99Å; W645-H649 AromaticContact CZ2-CE1 3.42Å; W645-H649 VanDerWaalsContact CZ2-CE1 3.42Å; W645-H649 WeakPolarHBondContact CZ2-CE1 3.23Å; W645-H649 AromaticContact CZ2-NE2 3.85Å; W645-H649 AromaticContact NE1-CE1 3.43Å; W645-H649 PolarHBondContact NE1-CE1 3.48Å; W645-H649 AromaticContact NE1-ND1 3.63Å; W645-H649 PolarHBondContact O-N 2.74Å; W645-H649 PolarHBondContact O-ND1 3.32Å
646	A	93.2	Very high	89	Confident	46 Å²	46	75.1 Å²	75.1	38%	0.38	39%	0.386	S	S	.	.	H	α-helix	trans	-58.6	-46.1	175.2	0	0	0	0	0	111.8	S642 N648 H649 Q650	S642-A646 PolarHBondContact O-N 3.11Å; A646-N648 PolarHBondContact O-N 3.27Å; A646-N648 VanDerWaalsContact O-N 3.15Å; A646-H649 PolarHBondContact O-N 3.11Å; A646-Q650 WeakPolarHBondContact O-CB 3.47Å; A646-Q650 WeakPolarHBondContact O-CG 3.44Å; A646-Q650 PolarHBondContact O-N 2.97Å
647	A	93.6	Very high	88.6	Confident	38 Å²	38	74.9 Å²	74.9	31%	0.314	39%	0.387	S	S	.	.	H	α-helix	trans	-70.3	-4.6	178.1	0	0	0	0	0	114.7	Q643 K644 W645 K651	Q643-A647 VanDerWaalsContact O-CB 3.27Å; Q643-A647 WeakPolarHBondContact O-CB 3.35Å; Q643-A647 PolarHBondContact O-N 3.24Å; K644-A647 PolarHBondContact O-N 3.15Å; W645-A647 PolarHBondContact O-N 2.92Å; A647-K651 WeakPolarHBondContact O-CD 3.5Å; A647-K651 WeakPolarHBondContact O-CE 3.44Å; A647-K651 PolarHBondContact O-NZ 3.08Å
648	N	89.9	Confident	88.1	Confident	68 Å²	68	77 Å²	77	36%	0.364	40%	0.399	S	S	.	.	H	α-helix	trans	-98.3	-40.4	169.7	-77.6	-11	0	0	0	111.4	K644 W645 A646 K651	K644-N648 WeakPolarHBondContact O-CB 3.36Å; K644-N648 VanDerWaalsContact O-CG 3.25Å; K644-N648 PolarHBondContact O-N 3.22Å; K644-N648 VanDerWaalsContact O-N 3.08Å; W645-N648 PolarHBondContact O-N 3.31Å; W645-N648 VanDerWaalsContact O-N 3.09Å; A646-N648 PolarHBondContact O-N 3.27Å; A646-N648 VanDerWaalsContact O-N 3.15Å; N648-K651 PolarHBondContact O-N 3.5Å; N648-K651 VanDerWaalsContact O-N 3.11Å
649	H	84	Confident	87.6	Confident	74 Å²	74	81.5 Å²	81.5	34%	0.343	42%	0.423	S	S	.	.	H	α-helix	trans	-65	-39.6	176.2	-73.1	77.3	0	0	0	111.6	W645 A646 K651 Q652 S653	W645-H649 AromaticContact CD1-CE1 3.9Å; W645-H649 AromaticContact CD1-ND1 3.7Å; W645-H649 AromaticContact CD2-CE1 3.58Å; W645-H649 AromaticContact CD2-ND1 3.98Å; W645-H649 AromaticContact CE2-CE1 3.18Å; W645-H649 AromaticContact CE2-ND1 3.8Å; W645-H649 AromaticContact CE2-NE2 3.96Å; W645-H649 AromaticContact CG-ND1 3.94Å; W645-H649 AromaticContact CH2-CE1 3.99Å; W645-H649 AromaticContact CZ2-CE1 3.42Å; W645-H649 VanDerWaalsContact CZ2-CE1 3.42Å; W645-H649 WeakPolarHBondContact CZ2-CE1 3.23Å; W645-H649 AromaticContact CZ2-NE2 3.85Å; W645-H649 AromaticContact NE1-CE1 3.43Å; W645-H649 PolarHBondContact NE1-CE1 3.48Å; W645-H649 AromaticContact NE1-ND1 3.63Å; W645-H649 PolarHBondContact O-N 2.74Å; W645-H649 PolarHBondContact O-ND1 3.32Å; A646-H649 PolarHBondContact O-N 3.11Å; H649-K651 PolarHBondContact O-N 3.48Å; H649-Q652 PolarHBondContact O-N 2.81Å; H649-S653 PolarHBondContact O-N 3.25Å; H649-S653 PolarHBondContact O-OG 3.41Å
650	Q	80.8	Confident	86.9	Confident	129 Å²	129	83.9 Å²	83.9	60%	0.603	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	1.8	171.1	-71	176.8	-13.2	0	0	115.3	A646	A646-Q650 WeakPolarHBondContact O-CB 3.47Å; A646-Q650 WeakPolarHBondContact O-CG 3.44Å; A646-Q650 PolarHBondContact O-N 2.97Å
651	K	78.3	Confident	86.1	Confident	153 Å²	153	81.5 Å²	81.5	67%	0.665	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.6	3.2	173.1	-60.7	174.5	-176.3	132.3	0	112.7	A647 N648 H649	A647-K651 WeakPolarHBondContact O-CD 3.5Å; A647-K651 WeakPolarHBondContact O-CE 3.44Å; A647-K651 PolarHBondContact O-NZ 3.08Å; N648-K651 PolarHBondContact O-N 3.5Å; N648-K651 VanDerWaalsContact O-N 3.11Å; H649-K651 PolarHBondContact O-N 3.48Å
652	Q	65.6	Low	85.1	Confident	110 Å²	110	86.4 Å²	86.4	51%	0.514	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.7	-25.8	179.7	-64.5	178.3	14.9	0	0	111	H649	H649-Q652 PolarHBondContact O-N 2.81Å
653	S	55	Low	84.2	Confident	143 Å²	143	90.5 Å²	90.5	100%	1	47%	0.474	S	S	*	.			trans	-72.1	0	151.9	62.6	0	0	0	0	111.5	H649	H649-S653 PolarHBondContact O-N 3.25Å; H649-S653 PolarHBondContact O-OG 3.41Å

Retrieved 653 of 653 residues in 1075.2 ms (Link to these results)

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