A0A5K4ERH4_SCHMA Loading...

Putative monocarboxylate transporter

AlphaFold DB , UniProt , Accession A0A5K4ERH4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 751 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	34.7	Very low	46.7	Very low	203 Å²	203	124.5 Å²	124.5	100%	1	64%	0.635	S	S	*	*				0	-48.4	0	-147.7	-176.6	-126.4	0	0	110.9	F4 I5	M1-F4 WeakPolarHBondContact O-CB 3.47Å; M1-F4 PolarHBondContact O-N 3.25Å; M1-I5 PolarHBondContact O-N 3.41Å
2	I	47.9	Very low	46.5	Very low	105 Å²	105	130.3 Å²	130.3	54%	0.538	65%	0.652	S	S	.	*	H	α-helix	trans	-60.5	-45.6	174.1	-63	173.3	0	0	0	111.8	F4 I5 D6	I2-F4 PolarHBondContact O-N 3.39Å; I2-I5 PolarHBondContact O-N 3.15Å; I2-D6 PolarHBondContact O-N 3.17Å
3	D	44.4	Very low	46.1	Very low	137 Å²	137	133.9 Å²	133.9	73%	0.733	66%	0.661	S	S	*	*	H	α-helix	trans	-59.6	-24.4	176.3	-59.6	-23.6	0	0	0	114.2	S7	D3-S7 PolarHBondContact O-N 3.21Å
4	F	50.2	Low	45.5	Very low	140 Å²	140	130.7 Å²	130.7	61%	0.614	66%	0.659	S	S	*	*	H	α-helix	trans	-78.7	-29.5	177.8	-170.1	-95.4	0	0	0	112.1	M1 I2	M1-F4 WeakPolarHBondContact O-CB 3.47Å; M1-F4 PolarHBondContact O-N 3.25Å; I2-F4 PolarHBondContact O-N 3.39Å
5	I	58.6	Low	44.8	Very low	103 Å²	103	132.9 Å²	132.9	53%	0.528	67%	0.673	S	S	.	*	H	α-helix	trans	-74.5	-41.4	177.9	-64.5	173.3	0	0	0	109.8	M1 I2 S7 K8 L9	M1-I5 PolarHBondContact O-N 3.41Å; I2-I5 PolarHBondContact O-N 3.15Å; I5-S7 PolarHBondContact O-N 3.43Å; I5-K8 PolarHBondContact O-N 3.33Å; I5-L9 HydrophobicContact CG2-CD1 4.23Å; I5-L9 PolarHBondContact O-N 3.09Å
6	D	54.7	Low	44.1	Very low	91 Å²	91	130.5 Å²	130.5	49%	0.487	67%	0.671	S	S	.	*	H	α-helix	trans	-63.6	-38.1	178.6	-88	-9	0	0	0	112.8	I2 K8 L9 L10	I2-D6 PolarHBondContact O-N 3.17Å; D6-K8 VanDerWaalsContact C-N 3.34Å; D6-K8 PolarHBondContact O-N 3.01Å; D6-L9 PolarHBondContact O-N 3.17Å; D6-L10 WeakPolarHBondContact O-CG 3.39Å; D6-L10 PolarHBondContact O-N 3.23Å; D6-L10 VanDerWaalsContact O-N 3.14Å
7	S	48.1	Very low	43.5	Very low	62 Å²	62	127.8 Å²	127.8	43%	0.434	68%	0.683	S	S	.	*	H	α-helix	trans	-66.9	-34.5	-179	91.5	0	0	0	0	112.9	D3 I5 N11	D3-S7 PolarHBondContact O-N 3.21Å; I5-S7 PolarHBondContact O-N 3.43Å; S7-N11 PolarHBondContact O-N 3.04Å
8	K	41.2	Very low	43.1	Very low	150 Å²	150	127.6 Å²	127.6	65%	0.652	68%	0.68	S	S	*	*	H	α-helix	trans	-73.8	-34	177.6	-98.7	-167.8	176.6	-175.3	0	112.9	I5 D6	I5-K8 PolarHBondContact O-N 3.33Å; D6-K8 VanDerWaalsContact C-N 3.34Å; D6-K8 PolarHBondContact O-N 3.01Å
9	L	48.1	Very low	42.7	Very low	117 Å²	117	129.3 Å²	129.3	61%	0.613	69%	0.687	S	S	*	*	H	α-helix	trans	-69.3	-36.1	175.8	-80.6	164.1	0	0	0	111.7	I5 D6 K12	I5-L9 HydrophobicContact CG2-CD1 4.23Å; I5-L9 PolarHBondContact O-N 3.09Å; D6-L9 PolarHBondContact O-N 3.17Å; L9-K12 PolarHBondContact O-N 3.3Å
10	L	44.4	Very low	42.4	Very low	131 Å²	131	129.7 Å²	129.7	69%	0.686	69%	0.69	S	S	*	*	H	α-helix	trans	-66.8	-36.5	177	-77.1	162.8	0	0	0	112.9	D6 K12 K13	D6-L10 WeakPolarHBondContact O-CG 3.39Å; D6-L10 PolarHBondContact O-N 3.23Å; D6-L10 VanDerWaalsContact O-N 3.14Å; L10-K12 PolarHBondContact O-N 3.43Å; L10-K13 PolarHBondContact O-N 2.95Å
11	N	41.6	Very low	42.1	Very low	131 Å²	131	132.4 Å²	132.4	70%	0.701	70%	0.695	S	S	*	*	H	α-helix	trans	-69.9	-15.4	-179.2	-101	-8	0	0	0	114.6	S7 S14	S7-N11 PolarHBondContact O-N 3.04Å; N11-S14 PolarHBondContact O-OG 3.46Å
12	K	44.5	Very low	42	Very low	194 Å²	194	132 Å²	132	84%	0.843	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	-11.8	178.1	-128.9	-179.9	-177.7	-174.4	0	113.7	L9 L10	L9-K12 PolarHBondContact O-N 3.3Å; L10-K12 PolarHBondContact O-N 3.43Å
13	K	41.4	Very low	41.3	Very low	177 Å²	177	136 Å²	136	77%	0.77	70%	0.702	S	S	*	*	S	Bend	trans	-96.8	1.3	-177.7	-78.8	-172.4	174.3	-177.3	0	114.8	L10 N15	L10-K13 PolarHBondContact O-N 2.95Å; K13-N15 VanDerWaalsContact C-N 3.31Å; K13-N15 PolarHBondContact O-N 3.41Å
14	S	36.6	Very low	40.7	Very low	89 Å²	89	137.5 Å²	137.5	62%	0.622	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	-2.1	-174.4	53.3	0	0	0	0	116.1	N11	N11-S14 PolarHBondContact O-OG 3.46Å
15	N	35	Very low	40.1	Very low	164 Å²	164	137.1 Å²	137.1	88%	0.877	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.9	11.5	-178.8	-91.8	5.5	0	0	0	116	K13	K13-N15 VanDerWaalsContact C-N 3.31Å; K13-N15 PolarHBondContact O-N 3.41Å
16	C	34.8	Very low	39.1	Very low	94 Å²	94	140.6 Å²	140.6	64%	0.635	72%	0.719	S	S	*	*	S	Bend	trans	-115.9	110.4	170	-153.1	0	0	0	0	109.2	I18	C16-I18 PolarHBondContact O-N 3.46Å
17	G	33.3	Very low	38.5	Very low	85 Å²	85	144.9 Å²	144.9	88%	0.876	74%	0.736	S	S	*	*			trans	-70.4	48.8	-174.8	0	0	0	0	0	114.5
18	I	36.3	Very low	38.8	Very low	124 Å²	124	145.3 Å²	145.3	64%	0.636	74%	0.739	S	S	*	*			trans	-88.8	120.2	166.3	-58.2	177.5	0	0	0	106.2	C16 N20	C16-I18 PolarHBondContact O-N 3.46Å; I18-N20 PolarHBondContact O-N 3.39Å
19	I	36	Very low	39.9	Very low	159 Å²	159	146.5 Å²	146.5	82%	0.815	74%	0.744	S	S	*	*			trans	-56.2	90.3	174.7	-61.4	169	0	0	0	107.5	K21	I19-K21 PolarHBondContact O-N 3.48Å
20	N	36.3	Very low	41.3	Very low	137 Å²	137	142.3 Å²	142.3	73%	0.733	72%	0.723	S	S	*	*			trans	-66.4	89.7	171.7	-97.1	-28.1	0	0	0	106.3	I18 K22	I18-N20 PolarHBondContact O-N 3.39Å; N20-K22 VanDerWaalsContact C-N 3.25Å; N20-K22 PolarHBondContact O-N 2.83Å
21	K	35.2	Very low	43.1	Very low	187 Å²	187	137.7 Å²	137.7	81%	0.813	70%	0.699	S	S	*	*			trans	-46.6	106.7	149.9	-85.9	-176.4	177	177.4	0	104.1	I19 K23	I19-K21 PolarHBondContact O-N 3.48Å; K21-K23 PolarHBondContact O-N 3.12Å
22	K	33.3	Very low	45	Very low	195 Å²	195	134.5 Å²	134.5	85%	0.848	69%	0.687	S	S	*	*			trans	-55.4	93	172.2	-72.3	-179.8	177.9	179	0	105.2	N20 K24	N20-K22 VanDerWaalsContact C-N 3.25Å; N20-K22 PolarHBondContact O-N 2.83Å; K22-K24 PolarHBondContact O-N 3.17Å
23	K	34.2	Very low	46.9	Very low	190 Å²	190	127.9 Å²	127.9	83%	0.826	67%	0.674	S	S	*	*			trans	-56.1	101.2	159.6	-81.6	-173	176	-175.8	0	102	K21 T25	K21-K23 PolarHBondContact O-N 3.12Å; K23-T25 PolarHBondContact O-N 3.45Å
24	K	31.4	Very low	49.2	Very low	167 Å²	167	125.5 Å²	125.5	73%	0.726	66%	0.66	S	S	*	*			trans	-59.9	95.6	163.5	-77.7	-179.3	177	177.8	0	102.6	K22 Y26	K22-K24 PolarHBondContact O-N 3.17Å; K24-Y26 HydrophobicContact CB-CD2 4.2Å; K24-Y26 HydrophobicContact CB-CE2 4.38Å; K24-Y26 HydrophobicContact CD-CE2 4.41Å; K24-Y26 PolarHBondContact O-N 2.77Å
25	T	36.7	Very low	51.7	Low	132 Å²	132	121.3 Å²	121.3	81%	0.81	63%	0.631	S	S	*	*			trans	-59.6	93.1	165.6	-2.7	0	0	0	0	103.6	K23 Q27	K23-T25 PolarHBondContact O-N 3.45Å; T25-Q27 PolarHBondContact O-N 3.5Å
26	Y	37.9	Very low	54.5	Low	177 Å²	177	118.1 Å²	118.1	69%	0.694	61%	0.607	S	S	*	*			trans	-64.5	98.7	171.2	-104.1	-92.4	0	0	0	104.2	K24 S28	K24-Y26 HydrophobicContact CB-CD2 4.2Å; K24-Y26 HydrophobicContact CB-CE2 4.38Å; K24-Y26 HydrophobicContact CD-CE2 4.41Å; K24-Y26 PolarHBondContact O-N 2.77Å; Y26-S28 PolarHBondContact O-N 2.84Å
27	Q	41.9	Very low	57.3	Low	180 Å²	180	116.7 Å²	116.7	84%	0.841	59%	0.592	S	S	*	*			trans	-57.4	109.6	178.3	-157.3	163.7	3.9	0	0	105.9	T25 K29	T25-Q27 PolarHBondContact O-N 3.5Å; Q27-K29 PolarHBondContact O-N 2.68Å
28	S	55.1	Low	60.1	Low	72 Å²	72	112.6 Å²	112.6	50%	0.503	55%	0.551	S	S	.	*			trans	-50.9	129.4	172.6	58	0	0	0	0	106.3	Y26 T30	Y26-S28 PolarHBondContact O-N 2.84Å; S28-T30 PolarHBondContact O-N 2.88Å; S28-T30 PolarHBondContact O-OG1 3.38Å; S28-T30 PolarHBondContact OG-OG1 3.41Å
29	K	63.9	Low	62.9	Low	174 Å²	174	107 Å²	107	76%	0.757	52%	0.522	S	S	*	.			trans	-72.6	40.4	177.2	-75.6	-175.5	176.4	178	0	111.3	Q27	Q27-K29 PolarHBondContact O-N 2.68Å
30	T	78.5	Confident	65.8	Low	29 Å²	29	104.3 Å²	104.3	18%	0.178	51%	0.508	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	157.5	171.4	46.7	0	0	0	0	109.2	S28 S32 Y111 F172	S28-T30 PolarHBondContact O-N 2.88Å; S28-T30 PolarHBondContact O-OG1 3.38Å; S28-T30 PolarHBondContact OG-OG1 3.41Å; T30-S32 PolarHBondContact O-N 3.34Å; T30-S32 VanDerWaalsContact O-N 3.1Å; T30-Y111 CarbonylContact C-O 3.15Å; T30-Y111 VanDerWaalsContact CA-O 3.29Å; T30-Y111 WeakPolarHBondContact CA-O 3.31Å; T30-F172 HydrophobicContact CG2-CZ 3.86Å
31	D	81	Confident	68.5	Low	34 Å²	34	98.1 Å²	98.1	18%	0.182	48%	0.476	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.2	11.4	175.3	-59	-49.2	0	0	0	116.7	Y111 F112 D113 R114 Y115	D31-Y111 PolarHBondContact N-O 3.07Å; D31-F112 HydrophobicContact CB-CD1 4.35Å; D31-F112 VanDerWaalsContact OD1-CA 3.28Å; D31-F112 WeakPolarHBondContact OD1-CA 3.29Å; D31-F112 WeakPolarHBondContact OD1-CB 3.4Å; D31-F112 VanDerWaalsContact OD1-CD1 3.32Å; D31-F112 WeakPolarHBondContact OD1-CD1 3.39Å; D31-D113 PolarHBondContact OD1-N 3.11Å; D31-R114 PolarHBondContact OD1-N 2.8Å; D31-R114 WeakPolarHBondContact OD2-CB 3.11Å; D31-R114 PolarHBondContact OD2-N 3.45Å; D31-Y115 HydrophobicContact CB-CD2 3.99Å; D31-Y115 HydrophobicContact CB-CE2 4.45Å; D31-Y115 PolarHBondContact OD1-N 3.44Å
32	S	81.4	Confident	71.4	Confident	64 Å²	64	89.2 Å²	89.2	45%	0.448	44%	0.437	S	S	.	.	S	Bend	trans	-146.8	163	-176	64	0	0	0	0	115.1	T30 W34 G35	T30-S32 PolarHBondContact O-N 3.34Å; T30-S32 VanDerWaalsContact O-N 3.1Å; S32-W34 PolarHBondContact O-N 3.02Å; S32-W34 VanDerWaalsContact O-N 3.11Å; S32-G35 PolarHBondContact O-N 3.03Å
33	G	84.6	Confident	74.4	Confident	55 Å²	55	82.8 Å²	82.8	57%	0.567	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	-112.4	172	0	0	0	0	0	113.7	G35 W36	G33-G35 PolarHBondContact O-N 3.14Å; G33-W36 PolarHBondContact O-N 3.15Å
34	W	89.4	Confident	77.3	Confident	127 Å²	127	76.3 Å²	76.3	48%	0.481	38%	0.383	S	S	.	.	H	α-helix	trans	-61.7	-25.4	-176.1	-97.3	97.7	0	0	0	114.3	S32 W36 I37 I38 Y111	S32-W34 PolarHBondContact O-N 3.02Å; S32-W34 VanDerWaalsContact O-N 3.11Å; W34-W36 PolarHBondContact O-N 3.24Å; W34-I37 HydrophobicContact CD2-CD1 3.74Å; W34-I37 HydrophobicContact CE3-CB 3.77Å; W34-I37 HydrophobicContact CE3-CD1 3.7Å; W34-I37 HydrophobicContact CE3-CG1 4.29Å; W34-I37 HydrophobicContact CE3-CG2 3.85Å; W34-I37 HydrophobicContact CG-CD1 4.31Å; W34-I37 HydrophobicContact CH2-CD1 4.14Å; W34-I37 HydrophobicContact CH2-CG2 4.36Å; W34-I37 HydrophobicContact CZ2-CD1 4.18Å; W34-I37 HydrophobicContact CZ3-CB 4.01Å; W34-I37 HydrophobicContact CZ3-CD1 3.91Å; W34-I37 HydrophobicContact CZ3-CG2 3.54Å; W34-I37 WeakPolarHBondContact O-CB 3.42Å; W34-I37 PolarHBondContact O-N 3.38Å; W34-I38 PolarHBondContact O-N 2.95Å; W34-I38 VanDerWaalsContact O-N 3.1Å; W34-Y111 HydrophobicContact CB-CE1 4.22Å
35	G	90.4	Very high	80.2	Confident	1 Å²	1	68.4 Å²	68.4	1%	0.01	35%	0.349	C	S	.	.	H	α-helix	trans	-55.9	-39	175.2	0	0	0	0	0	112.1	S32 G33 I37 I38 V39 F112	S32-G35 PolarHBondContact O-N 3.03Å; G33-G35 PolarHBondContact O-N 3.14Å; G35-I37 VanDerWaalsContact C-N 3.35Å; G35-I37 PolarHBondContact O-N 3.45Å; G35-I38 WeakPolarHBondContact O-CB 3.35Å; G35-I38 PolarHBondContact O-N 2.91Å; G35-V39 WeakPolarHBondContact O-CG2 3.24Å; G35-V39 PolarHBondContact O-N 3.24Å; G35-F112 VanDerWaalsContact C-CE2 3.48Å; G35-F112 WeakPolarHBondContact O-CE2 3.36Å
36	W	93.6	Very high	82.9	Confident	97 Å²	97	62.2 Å²	62.2	37%	0.367	31%	0.311	S	S	.	.	H	α-helix	trans	-71.4	-27.6	178	-69.7	106.3	0	0	0	113.6	G33 W34 I38 V39 I40 F112 L122	G33-W36 PolarHBondContact O-N 3.15Å; W34-W36 PolarHBondContact O-N 3.24Å; W36-I38 VanDerWaalsContact C-N 3.34Å; W36-V39 HydrophobicContact CE3-CB 4.28Å; W36-V39 HydrophobicContact CE3-CG1 4.33Å; W36-V39 HydrophobicContact CE3-CG2 4.27Å; W36-V39 HydrophobicContact CZ3-CG1 4.47Å; W36-V39 PolarHBondContact O-N 3.5Å; W36-I40 WeakPolarHBondContact O-CG1 3.44Å; W36-I40 PolarHBondContact O-N 2.62Å; W36-F112 HydrophobicContact CD2-CE1 4.17Å; W36-F112 AromaticContact CD2-CZ 3.83Å; W36-F112 HydrophobicContact CD2-CZ 3.83Å; W36-F112 AromaticContact CE2-CE1 3.69Å; W36-F112 AromaticContact CE2-CZ 3.85Å; W36-F112 HydrophobicContact CE3-CZ 4.19Å; W36-F112 HydrophobicContact CG-CZ 4.15Å; W36-F112 HydrophobicContact CH2-CE1 4.28Å; W36-F112 AromaticContact CZ2-CE1 3.77Å; W36-F112 HydrophobicContact CZ2-CE1 3.77Å; W36-F112 HydrophobicContact CZ2-CZ 4.25Å; W36-F112 AromaticContact NE1-CE1 3.91Å; W36-L122 HydrophobicContact CH2-CD1 4.22Å; W36-L122 HydrophobicContact CZ3-CD1 3.74Å
37	I	93.2	Very high	85.6	Confident	64 Å²	64	55.3 Å²	55.3	33%	0.328	29%	0.285	S	S	.	.	H	α-helix	trans	-67	-41.8	171.3	-61.2	172.8	0	0	0	109.5	W34 G35 V39 I40 S41 T168	W34-I37 HydrophobicContact CD2-CD1 3.74Å; W34-I37 HydrophobicContact CE3-CB 3.77Å; W34-I37 HydrophobicContact CE3-CD1 3.7Å; W34-I37 HydrophobicContact CE3-CG1 4.29Å; W34-I37 HydrophobicContact CE3-CG2 3.85Å; W34-I37 HydrophobicContact CG-CD1 4.31Å; W34-I37 HydrophobicContact CH2-CD1 4.14Å; W34-I37 HydrophobicContact CH2-CG2 4.36Å; W34-I37 HydrophobicContact CZ2-CD1 4.18Å; W34-I37 HydrophobicContact CZ3-CB 4.01Å; W34-I37 HydrophobicContact CZ3-CD1 3.91Å; W34-I37 HydrophobicContact CZ3-CG2 3.54Å; W34-I37 WeakPolarHBondContact O-CB 3.42Å; W34-I37 PolarHBondContact O-N 3.38Å; G35-I37 VanDerWaalsContact C-N 3.35Å; G35-I37 PolarHBondContact O-N 3.45Å; I37-V39 VanDerWaalsContact C-N 3.3Å; I37-V39 PolarHBondContact O-N 3.44Å; I37-I40 PolarHBondContact O-N 3.33Å; I37-I40 VanDerWaalsContact O-N 3.17Å; I37-S41 PolarHBondContact O-N 3.15Å; I37-S41 PolarHBondContact O-OG 2.93Å; I37-T168 HydrophobicContact CG2-CG2 4.36Å
38	I	92.5	Very high	88	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-63.9	-37.1	176	-69	171.5	0	0	0	111.3	W34 G35 W36 S41 S42 S107 V108 Y111 L169	W34-I38 PolarHBondContact O-N 2.95Å; W34-I38 VanDerWaalsContact O-N 3.1Å; G35-I38 WeakPolarHBondContact O-CB 3.35Å; G35-I38 PolarHBondContact O-N 2.91Å; W36-I38 VanDerWaalsContact C-N 3.34Å; I38-S41 PolarHBondContact O-N 3.42Å; I38-S42 WeakPolarHBondContact O-CB 3.47Å; I38-S42 PolarHBondContact O-N 2.65Å; I38-S42 PolarHBondContact O-OG 3.11Å; I38-S107 VanDerWaalsContact CG2-OG 3.28Å; I38-S107 WeakPolarHBondContact CG2-OG 3.39Å; I38-V108 HydrophobicContact CG2-CG2 3.86Å; I38-Y111 HydrophobicContact CD1-CD1 3.87Å; I38-Y111 HydrophobicContact CD1-CD2 3.34Å; I38-Y111 HydrophobicContact CD1-CE1 3.57Å; I38-Y111 HydrophobicContact CD1-CE2 3Å; I38-Y111 HydrophobicContact CD1-CG 3.74Å; I38-L169 HydrophobicContact CG2-CD2 4.34Å
39	V	95.3	Very high	89.6	Confident	7 Å²	7	43.9 Å²	43.9	4%	0.042	23%	0.225	C	C	.	.	H	α-helix	trans	-60.9	-45.6	172.4	170.9	0	0	0	0	111.3	G35 W36 I37 S42 F43 V108 F112 A119 L122 A123	G35-V39 WeakPolarHBondContact O-CG2 3.24Å; G35-V39 PolarHBondContact O-N 3.24Å; W36-V39 HydrophobicContact CE3-CB 4.28Å; W36-V39 HydrophobicContact CE3-CG1 4.33Å; W36-V39 HydrophobicContact CE3-CG2 4.27Å; W36-V39 HydrophobicContact CZ3-CG1 4.47Å; W36-V39 PolarHBondContact O-N 3.5Å; I37-V39 VanDerWaalsContact C-N 3.3Å; I37-V39 PolarHBondContact O-N 3.44Å; V39-S42 PolarHBondContact O-N 3.14Å; V39-F43 WeakPolarHBondContact O-CB 3.31Å; V39-F43 PolarHBondContact O-N 2.99Å; V39-V108 HydrophobicContact CG2-CG1 4.13Å; V39-V108 HydrophobicContact CG2-CG2 4.27Å; V39-F112 HydrophobicContact CG2-CD2 4.42Å; V39-F112 HydrophobicContact CG2-CE2 3.52Å; V39-F112 HydrophobicContact CG2-CZ 3.87Å; V39-A119 HydrophobicContact CG2-CB 4Å; V39-L122 HydrophobicContact CG1-CB 3.95Å; V39-A123 HydrophobicContact CG1-CB 4.2Å
40	I	95.3	Very high	90.8	Very high	102 Å²	102	36 Å²	36	52%	0.523	19%	0.191	S	C	.	.	H	α-helix	trans	-62.6	-44.4	177.6	-68.6	165.8	0	0	0	111	W36 I37 F43 I44	W36-I40 WeakPolarHBondContact O-CG1 3.44Å; W36-I40 PolarHBondContact O-N 2.62Å; I37-I40 PolarHBondContact O-N 3.33Å; I37-I40 VanDerWaalsContact O-N 3.17Å; I40-F43 WeakPolarHBondContact O-CB 3.49Å; I40-F43 PolarHBondContact O-N 3.44Å; I40-I44 HydrophobicContact CG2-CD1 4.13Å; I40-I44 WeakPolarHBondContact O-CG1 3.5Å; I40-I44 PolarHBondContact O-N 3.27Å
41	S	94.5	Very high	91.3	Very high	6 Å²	6	34.7 Å²	34.7	4%	0.042	18%	0.182	C	C	.	.	H	α-helix	trans	-68.1	-39.5	180	-61.6	0	0	0	0	112	I37 I38 F43 I44 I45 T168	I37-S41 PolarHBondContact O-N 3.15Å; I37-S41 PolarHBondContact O-OG 2.93Å; I38-S41 PolarHBondContact O-N 3.42Å; S41-F43 VanDerWaalsContact C-N 3.31Å; S41-F43 PolarHBondContact O-N 3.32Å; S41-I44 PolarHBondContact O-N 3.15Å; S41-I45 WeakPolarHBondContact O-CB 3.49Å; S41-I45 VanDerWaalsContact O-CG1 3.29Å; S41-I45 WeakPolarHBondContact O-CG1 3.21Å; S41-I45 PolarHBondContact O-N 3.2Å; S41-T168 WeakPolarHBondContact CB-OG1 3.49Å; S41-T168 PolarHBondContact OG-OG1 3.31Å
42	S	94.9	Very high	91.7	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.007	18%	0.181	C	C	.	.	H	α-helix	trans	-63.7	-39.7	173	-59	0	0	0	0	111.1	I38 V39 I44 I45 Q46 A104 V108	I38-S42 WeakPolarHBondContact O-CB 3.47Å; I38-S42 PolarHBondContact O-N 2.65Å; I38-S42 PolarHBondContact O-OG 3.11Å; V39-S42 PolarHBondContact O-N 3.14Å; S42-I44 PolarHBondContact O-N 2.69Å; S42-I45 PolarHBondContact O-N 3.46Å; S42-Q46 WeakPolarHBondContact O-CB 3.33Å; S42-Q46 WeakPolarHBondContact O-CG 3.38Å; S42-Q46 PolarHBondContact O-N 2.66Å; S42-A104 PolarHBondContact OG-O 2.91Å; S42-V108 WeakPolarHBondContact OG-CG2 3.17Å
43	F	96.2	Very high	91.8	Very high	60 Å²	60	31.6 Å²	31.6	26%	0.263	16%	0.161	S	C	.	.	H	α-helix	trans	-57.6	-47.3	171.8	177.2	-77.7	0	0	0	112	V39 I40 S41 Q46 L47 L122 A123 S125 G126 V129	V39-F43 WeakPolarHBondContact O-CB 3.31Å; V39-F43 PolarHBondContact O-N 2.99Å; I40-F43 WeakPolarHBondContact O-CB 3.49Å; I40-F43 PolarHBondContact O-N 3.44Å; S41-F43 VanDerWaalsContact C-N 3.31Å; S41-F43 PolarHBondContact O-N 3.32Å; F43-Q46 PolarHBondContact O-N 2.89Å; F43-L47 HydrophobicContact CE1-CD1 3.87Å; F43-L47 VanDerWaalsContact O-CB 3.24Å; F43-L47 WeakPolarHBondContact O-CB 3.4Å; F43-L47 PolarHBondContact O-N 3.01Å; F43-L122 WeakPolarHBondContact CD2-O 3.41Å; F43-A123 WeakPolarHBondContact CA-O 3.31Å; F43-A123 PolarHBondContact N-O 3.03Å; F43-S125 WeakPolarHBondContact CD2-OG 3.45Å; F43-S125 WeakPolarHBondContact CE2-OG 3.44Å; F43-G126 VanDerWaalsContact CE2-N 3.28Å; F43-V129 HydrophobicContact CE2-CG2 4.42Å; F43-V129 HydrophobicContact CZ-CB 4.33Å; F43-V129 HydrophobicContact CZ-CG2 3.99Å
44	I	95.4	Very high	91.8	Very high	54 Å²	54	29.1 Å²	29.1	28%	0.277	14%	0.136	S	C	.	.	H	α-helix	trans	-64.8	-44.8	178.8	-66.8	166.6	0	0	0	110.9	I40 S41 S42 L47 I48 L161 A165	I40-I44 HydrophobicContact CG2-CD1 4.13Å; I40-I44 WeakPolarHBondContact O-CG1 3.5Å; I40-I44 PolarHBondContact O-N 3.27Å; S41-I44 PolarHBondContact O-N 3.15Å; S42-I44 PolarHBondContact O-N 2.69Å; I44-L47 WeakPolarHBondContact O-CB 3.42Å; I44-L47 PolarHBondContact O-N 3.26Å; I44-I48 WeakPolarHBondContact O-CG1 3.47Å; I44-I48 PolarHBondContact O-N 2.61Å; I44-L161 HydrophobicContact CG2-CB 4.3Å; I44-A165 HydrophobicContact CB-CB 4.22Å; I44-A165 HydrophobicContact CG2-CB 4.06Å
45	I	93.7	Very high	91.7	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-59.6	-49.3	177.9	-72.1	167.3	0	0	0	110.1	S41 S42 L47 I48 I49 L100 A104 A165 L169	S41-I45 WeakPolarHBondContact O-CB 3.49Å; S41-I45 VanDerWaalsContact O-CG1 3.29Å; S41-I45 WeakPolarHBondContact O-CG1 3.21Å; S41-I45 PolarHBondContact O-N 3.2Å; S42-I45 PolarHBondContact O-N 3.46Å; I45-L47 VanDerWaalsContact C-N 3.33Å; I45-L47 PolarHBondContact O-N 3.31Å; I45-I48 PolarHBondContact O-N 3.05Å; I45-I49 HydrophobicContact CG2-CD1 3.44Å; I45-I49 VanDerWaalsContact CG2-CD1 3.44Å; I45-I49 HydrophobicContact CG2-CG1 4.38Å; I45-I49 WeakPolarHBondContact O-CB 3.4Å; I45-I49 VanDerWaalsContact O-CG1 3.22Å; I45-I49 WeakPolarHBondContact O-CG1 3.27Å; I45-I49 PolarHBondContact O-N 2.78Å; I45-L100 HydrophobicContact CG2-CB 4.17Å; I45-A104 HydrophobicContact CB-CB 4.26Å; I45-A104 HydrophobicContact CD1-CB 4.16Å; I45-A104 HydrophobicContact CG2-CB 3.94Å; I45-A165 HydrophobicContact CD1-CB 4.19Å; I45-A165 HydrophobicContact CG1-CB 3.87Å; I45-L169 HydrophobicContact CD1-CD1 4.11Å
46	Q	92.7	Very high	91.7	Very high	3 Å²	3	23.4 Å²	23.4	1%	0.014	11%	0.114	C	C	.	.	H	α-helix	trans	-65.2	-34.8	178.7	-66.9	-63.5	85.3	0	0	112.5	S42 F43 D50 A127	S42-Q46 WeakPolarHBondContact O-CB 3.33Å; S42-Q46 WeakPolarHBondContact O-CG 3.38Å; S42-Q46 PolarHBondContact O-N 2.66Å; F43-Q46 PolarHBondContact O-N 2.89Å; Q46-D50 WeakPolarHBondContact O-CB 3.38Å; Q46-D50 PolarHBondContact O-N 2.97Å; Q46-A127 HydrophobicContact CB-CB 4.32Å; Q46-A127 WeakPolarHBondContact O-CA 3.45Å
47	L	94.4	Very high	91.4	Very high	31 Å²	31	18.9 Å²	18.9	16%	0.162	10%	0.098	C	C	.	.	H	α-helix	trans	-60.4	-47.6	174.5	-178.9	160.4	0	0	0	111.9	F43 I44 I45 G51 G126 V129 G130	F43-L47 HydrophobicContact CE1-CD1 3.87Å; F43-L47 VanDerWaalsContact O-CB 3.24Å; F43-L47 WeakPolarHBondContact O-CB 3.4Å; F43-L47 PolarHBondContact O-N 3.01Å; I44-L47 WeakPolarHBondContact O-CB 3.42Å; I44-L47 PolarHBondContact O-N 3.26Å; I45-L47 VanDerWaalsContact C-N 3.33Å; I45-L47 PolarHBondContact O-N 3.31Å; L47-G51 WeakPolarHBondContact O-CA 3.43Å; L47-G51 PolarHBondContact O-N 3.41Å; L47-G126 VanDerWaalsContact CA-C 3.44Å; L47-G126 WeakPolarHBondContact CA-O 3.22Å; L47-G126 VanDerWaalsContact CB-O 3.26Å; L47-G126 WeakPolarHBondContact CB-O 3.43Å; L47-V129 HydrophobicContact CD1-CB 4.28Å; L47-V129 HydrophobicContact CD1-CG1 3.92Å; L47-G130 VanDerWaalsContact O-CA 3.27Å; L47-G130 WeakPolarHBondContact O-CA 3.49Å
48	I	92.3	Very high	91.2	Very high	6 Å²	6	16 Å²	16	3%	0.031	8%	0.083	C	C	.	.	H	α-helix	trans	-67.6	-48.6	179.6	-66.1	-55.7	0	0	0	110.5	I44 I45 T52 Y154 A158 L161 T162	I44-I48 WeakPolarHBondContact O-CG1 3.47Å; I44-I48 PolarHBondContact O-N 2.61Å; I45-I48 PolarHBondContact O-N 3.05Å; I48-T52 PolarHBondContact O-N 3.27Å; I48-T52 PolarHBondContact O-OG1 3.04Å; I48-Y154 PolarHBondContact O-OH 3Å; I48-A158 HydrophobicContact CD1-CB 4.33Å; I48-A158 HydrophobicContact CG2-CB 3.45Å; I48-A158 VanDerWaalsContact CG2-CB 3.45Å; I48-L161 HydrophobicContact CD1-CB 4.42Å; I48-L161 HydrophobicContact CD1-CD1 3.92Å; I48-L161 HydrophobicContact CG1-CB 4.33Å; I48-T162 HydrophobicContact CB-CG2 3.86Å; I48-T162 HydrophobicContact CG1-CG2 4.06Å; I48-T162 HydrophobicContact CG2-CG2 3.76Å
49	I	89.3	Confident	91.1	Very high	7 Å²	7	16.6 Å²	16.6	4%	0.036	9%	0.086	C	C	.	.	H	α-helix	trans	-59.5	-58.7	-177.2	-74.6	173	0	0	0	111.1	I45 G51 T52 F90 F97 L100 M101	I45-I49 HydrophobicContact CG2-CD1 3.44Å; I45-I49 VanDerWaalsContact CG2-CD1 3.44Å; I45-I49 HydrophobicContact CG2-CG1 4.38Å; I45-I49 WeakPolarHBondContact O-CB 3.4Å; I45-I49 VanDerWaalsContact O-CG1 3.22Å; I45-I49 WeakPolarHBondContact O-CG1 3.27Å; I45-I49 PolarHBondContact O-N 2.78Å; I49-G51 VanDerWaalsContact C-N 3.33Å; I49-G51 PolarHBondContact O-N 3.05Å; I49-T52 WeakPolarHBondContact O-CB 3.46Å; I49-T52 PolarHBondContact O-N 3.4Å; I49-F90 HydrophobicContact CB-CE2 4.26Å; I49-F90 HydrophobicContact CB-CZ 4.38Å; I49-F90 HydrophobicContact CD1-CE2 3.78Å; I49-F90 HydrophobicContact CD1-CZ 4.35Å; I49-F90 HydrophobicContact CG1-CE2 4.16Å; I49-F90 HydrophobicContact CG2-CD1 4.01Å; I49-F90 HydrophobicContact CG2-CD2 3.68Å; I49-F90 HydrophobicContact CG2-CE1 3.47Å; I49-F90 VanDerWaalsContact CG2-CE1 3.47Å; I49-F90 HydrophobicContact CG2-CE2 3.14Å; I49-F90 HydrophobicContact CG2-CG 4.1Å; I49-F90 HydrophobicContact CG2-CZ 3.01Å; I49-F97 HydrophobicContact CD1-CB 4.39Å; I49-F97 HydrophobicContact CD1-CD1 4.41Å; I49-F97 HydrophobicContact CG1-CB 4.24Å; I49-F97 HydrophobicContact CG1-CD1 3.92Å; I49-F97 HydrophobicContact CG1-CG 4.31Å; I49-L100 HydrophobicContact CD1-CB 4.47Å; I49-M101 HydrophobicContact CD1-CB 4.14Å
50	D	88.2	Confident	90.9	Very high	9 Å²	9	16.3 Å²	16.3	5%	0.048	8%	0.084	C	C	.	.	H	α-helix	trans	-73.8	-30.6	-175	-76	21.7	0	0	0	111.5	Q46 T52 F53 G54 A127 T131 R583	Q46-D50 WeakPolarHBondContact O-CB 3.38Å; Q46-D50 PolarHBondContact O-N 2.97Å; D50-T52 VanDerWaalsContact C-N 3.29Å; D50-T52 PolarHBondContact O-N 2.96Å; D50-F53 HydrophobicContact CB-CD1 4.4Å; D50-F53 HydrophobicContact CB-CE1 3.55Å; D50-F53 HydrophobicContact CB-CE2 4.18Å; D50-F53 HydrophobicContact CB-CZ 3.35Å; D50-F53 WeakPolarHBondContact O-CD2 3.45Å; D50-F53 WeakPolarHBondContact O-CE2 3.38Å; D50-F53 WeakPolarHBondContact O-CG 3.18Å; D50-F53 PolarHBondContact O-N 3.39Å; D50-F53 VanDerWaalsContact OD1-CE1 3.22Å; D50-F53 WeakPolarHBondContact OD1-CE1 3.48Å; D50-G54 PolarHBondContact O-N 3.1Å; D50-A127 HydrophobicContact CB-CB 3.35Å; D50-A127 WeakPolarHBondContact OD2-CB 3.44Å; D50-T131 HydrophobicContact CB-CG2 4.22Å; D50-T131 VanDerWaalsContact O-CG2 3.3Å; D50-T131 WeakPolarHBondContact O-CG2 3.21Å; D50-R583 IonicContact OD2-CZ 3.79Å; D50-R583 IonicContact OD2-NH1 2.93Å; D50-R583 IonicContact OD2-NH2 3.72Å; D50-R583 PolarHBondContact OD2-NH2 2.87Å
51	G	89.7	Confident	90.6	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-59.7	-38.4	171.7	0	0	0	0	0	113.2	L47 I49 F53 G54 G55 G130 V134	L47-G51 WeakPolarHBondContact O-CA 3.43Å; L47-G51 PolarHBondContact O-N 3.41Å; I49-G51 VanDerWaalsContact C-N 3.33Å; I49-G51 PolarHBondContact O-N 3.05Å; G51-F53 VanDerWaalsContact C-N 3.31Å; G51-F53 PolarHBondContact O-N 3.43Å; G51-G54 PolarHBondContact O-N 3.44Å; G51-G55 PolarHBondContact O-N 3.29Å; G51-G130 WeakPolarHBondContact CA-O 3.27Å; G51-V134 VanDerWaalsContact O-CB 3.22Å; G51-V134 WeakPolarHBondContact O-CB 3.48Å; G51-V134 VanDerWaalsContact O-CG1 3.28Å; G51-V134 WeakPolarHBondContact O-CG1 3.26Å
52	T	88.2	Confident	90.4	Very high	25 Å²	25	12.9 Å²	12.9	15%	0.153	7%	0.069	C	C	.	.	H	α-helix	trans	-58.7	-42.8	-179.7	-53.5	0	0	0	0	111.1	I48 I49 D50 Q86 Y154	I48-T52 PolarHBondContact O-N 3.27Å; I48-T52 PolarHBondContact O-OG1 3.04Å; I49-T52 WeakPolarHBondContact O-CB 3.46Å; I49-T52 PolarHBondContact O-N 3.4Å; D50-T52 VanDerWaalsContact C-N 3.29Å; D50-T52 PolarHBondContact O-N 2.96Å; T52-Q86 PolarHBondContact O-NE2 3.29Å; T52-Y154 HydrophobicContact CG2-CE1 3.93Å; T52-Y154 PolarHBondContact N-OH 3.24Å; T52-Y154 WeakPolarHBondContact OG1-CE1 3.47Å; T52-Y154 PolarHBondContact OG1-OH 3.46Å; T52-Y154 VanDerWaalsContact OG1-OH 3.05Å
53	F	83.9	Confident	90.3	Very high	8 Å²	8	13.9 Å²	13.9	4%	0.035	7%	0.073	C	C	.	.	H	α-helix	trans	-81.4	-33.1	177.1	65.8	-114.5	0	0	0	112.7	D50 G51 G55 F56 T131 Y547 F548	D50-F53 HydrophobicContact CB-CD1 4.4Å; D50-F53 HydrophobicContact CB-CE1 3.55Å; D50-F53 HydrophobicContact CB-CE2 4.18Å; D50-F53 HydrophobicContact CB-CZ 3.35Å; D50-F53 WeakPolarHBondContact O-CD2 3.45Å; D50-F53 WeakPolarHBondContact O-CE2 3.38Å; D50-F53 WeakPolarHBondContact O-CG 3.18Å; D50-F53 PolarHBondContact O-N 3.39Å; D50-F53 VanDerWaalsContact OD1-CE1 3.22Å; D50-F53 WeakPolarHBondContact OD1-CE1 3.48Å; G51-F53 VanDerWaalsContact C-N 3.31Å; G51-F53 PolarHBondContact O-N 3.43Å; F53-G55 PolarHBondContact O-N 3.02Å; F53-F56 VanDerWaalsContact O-CB 3.28Å; F53-F56 WeakPolarHBondContact O-CB 3.4Å; F53-F56 PolarHBondContact O-N 3.12Å; F53-T131 HydrophobicContact CD2-CG2 4.49Å; F53-T131 HydrophobicContact CE2-CG2 3.87Å; F53-T131 HydrophobicContact CZ-CG2 4.46Å; F53-Y547 HydrophobicContact CE2-CE1 4.36Å; F53-Y547 HydrophobicContact CZ-CE1 4.16Å; F53-F548 HydrophobicContact CB-CE1 4.41Å; F53-F548 AromaticContact CD1-CE1 3.79Å; F53-F548 HydrophobicContact CD1-CE1 3.79Å; F53-F548 HydrophobicContact CD1-CZ 4.38Å; F53-F548 AromaticContact CD2-CD1 3.91Å; F53-F548 HydrophobicContact CD2-CD1 3.91Å; F53-F548 AromaticContact CD2-CE1 3.55Å; F53-F548 HydrophobicContact CD2-CE1 3.55Å; F53-F548 AromaticContact CE1-CE1 3.74Å; F53-F548 HydrophobicContact CE1-CE1 3.74Å; F53-F548 HydrophobicContact CE1-CZ 4.22Å; F53-F548 HydrophobicContact CE2-CD1 4.17Å; F53-F548 AromaticContact CE2-CE1 3.62Å; F53-F548 HydrophobicContact CE2-CE1 3.62Å; F53-F548 HydrophobicContact CG-CD1 4.29Å; F53-F548 AromaticContact CG-CE1 3.68Å; F53-F548 HydrophobicContact CG-CE1 3.68Å; F53-F548 AromaticContact CZ-CE1 3.71Å; F53-F548 HydrophobicContact CZ-CE1 3.71Å; F53-F548 HydrophobicContact CZ-CZ 4.46Å
54	G	84.4	Confident	90	Very high	3 Å²	3	14.8 Å²	14.8	3%	0.031	8%	0.075	C	C	.	.	H	α-helix	trans	-58.9	-35.9	177.6	0	0	0	0	0	112	D50 G51 F56 P135	D50-G54 PolarHBondContact O-N 3.1Å; G51-G54 PolarHBondContact O-N 3.44Å; G54-F56 PolarHBondContact O-N 3.14Å; G54-P135 WeakPolarHBondContact O-CG 3.44Å
55	G	88.3	Confident	89.8	Confident	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-14.7	175.1	0	0	0	0	0	115.6	G51 F53 G57 V58 L59 Y138	G51-G55 PolarHBondContact O-N 3.29Å; F53-G55 PolarHBondContact O-N 3.02Å; G55-G57 VanDerWaalsContact C-N 3.32Å; G55-G57 PolarHBondContact O-N 3.29Å; G55-V58 PolarHBondContact O-N 3.35Å; G55-L59 PolarHBondContact O-N 3.19Å; G55-Y138 WeakPolarHBondContact O-CD2 3.48Å
56	F	89	Confident	89.7	Confident	8 Å²	8	18.4 Å²	18.4	4%	0.035	10%	0.095	C	C	.	.	H	α-helix	trans	-65.5	-32.4	-171.3	-175.5	-97.4	0	0	0	113.1	F53 G54 V58 L59 Y60 P82 G83 V552	F53-F56 VanDerWaalsContact O-CB 3.28Å; F53-F56 WeakPolarHBondContact O-CB 3.4Å; F53-F56 PolarHBondContact O-N 3.12Å; G54-F56 PolarHBondContact O-N 3.14Å; F56-V58 PolarHBondContact O-N 3Å; F56-L59 HydrophobicContact CD2-CB 4.38Å; F56-L59 CarbonylContact O-C 3.51Å; F56-L59 PolarHBondContact O-N 3.03Å; F56-L59 VanDerWaalsContact O-N 3.07Å; F56-Y60 HydrophobicContact CE1-CD2 4.29Å; F56-Y60 HydrophobicContact CE1-CG 4.3Å; F56-Y60 WeakPolarHBondContact O-CB 3.23Å; F56-Y60 PolarHBondContact O-N 2.9Å; F56-P82 HydrophobicContact CE2-CB 3.98Å; F56-P82 HydrophobicContact CZ-CB 4.34Å; F56-G83 VanDerWaalsContact CD1-CA 3.47Å; F56-G83 VanDerWaalsContact CE1-CA 3.44Å; F56-G83 VanDerWaalsContact CE2-N 3.3Å; F56-V552 HydrophobicContact CD1-CG1 4Å; F56-V552 HydrophobicContact CD1-CG2 4.19Å; F56-V552 HydrophobicContact CE1-CG1 4.06Å
57	G	88.1	Confident	89.7	Confident	2 Å²	2	24.2 Å²	24.2	2%	0.021	12%	0.122	C	C	.	.	H	α-helix	trans	-56.3	-36.8	178	0	0	0	0	0	113.3	G55 L61	G55-G57 VanDerWaalsContact C-N 3.32Å; G55-G57 PolarHBondContact O-N 3.29Å; G57-L61 PolarHBondContact O-N 3.42Å
58	V	89.4	Confident	89.5	Confident	3 Å²	3	25.1 Å²	25.1	2%	0.018	14%	0.135	C	C	.	.	H	α-helix	trans	-73.1	-40.7	176.5	-175.7	0	0	0	0	111.2	G55 F56 S62 P135 N139 I142 I555	G55-V58 PolarHBondContact O-N 3.35Å; F56-V58 PolarHBondContact O-N 3Å; V58-S62 PolarHBondContact O-N 2.94Å; V58-S62 VanDerWaalsContact O-N 3.1Å; V58-S62 PolarHBondContact O-OG 3.27Å; V58-P135 HydrophobicContact CG2-CB 3.94Å; V58-N139 HydrophobicContact CG1-CB 4.42Å; V58-I142 HydrophobicContact CG1-CD1 4.17Å; V58-I555 HydrophobicContact CG2-CD1 4.03Å
59	L	90.7	Very high	89.5	Confident	14 Å²	14	27.3 Å²	27.3	7%	0.073	14%	0.144	C	C	.	.	H	α-helix	trans	-64.5	-42.2	175	-72.1	170.3	0	0	0	111.5	G55 F56 L61 S62 L63 Y138 I142 W147 L151	G55-L59 PolarHBondContact O-N 3.19Å; F56-L59 HydrophobicContact CD2-CB 4.38Å; F56-L59 CarbonylContact O-C 3.51Å; F56-L59 PolarHBondContact O-N 3.03Å; F56-L59 VanDerWaalsContact O-N 3.07Å; L59-L61 PolarHBondContact O-N 3.25Å; L59-S62 CarbonylContact O-C 3.57Å; L59-S62 WeakPolarHBondContact O-CA 3.45Å; L59-S62 WeakPolarHBondContact O-CB 3.37Å; L59-S62 PolarHBondContact O-N 2.99Å; L59-S62 VanDerWaalsContact O-N 3.11Å; L59-L63 VanDerWaalsContact O-CG 3.29Å; L59-L63 WeakPolarHBondContact O-CG 3.44Å; L59-L63 PolarHBondContact O-N 3.36Å; L59-Y138 HydrophobicContact CD1-CD2 4.12Å; L59-Y138 HydrophobicContact CD1-CE2 3.55Å; L59-Y138 HydrophobicContact CD2-CD1 4.49Å; L59-Y138 HydrophobicContact CD2-CE1 4.5Å; L59-Y138 HydrophobicContact CG-CD2 3.99Å; L59-Y138 HydrophobicContact CG-CE2 3.94Å; L59-Y138 HydrophobicContact CG-CG 4.42Å; L59-I142 HydrophobicContact CD2-CD1 3.7Å; L59-I142 HydrophobicContact CG-CD1 4.47Å; L59-W147 HydrophobicContact CD2-CB 4.19Å; L59-L151 HydrophobicContact CD1-CD1 4.32Å
60	Y	91.1	Very high	89.6	Confident	1 Å²	1	30.3 Å²	30.3	0%	0.004	16%	0.162	C	C	.	.	H	α-helix	trans	-57.7	-47.9	177.6	171.5	-109	0	0	0	111.3	F56 S62 L63 R64 L79 D556	F56-Y60 HydrophobicContact CE1-CD2 4.29Å; F56-Y60 HydrophobicContact CE1-CG 4.3Å; F56-Y60 WeakPolarHBondContact O-CB 3.23Å; F56-Y60 PolarHBondContact O-N 2.9Å; Y60-S62 VanDerWaalsContact C-N 3.28Å; Y60-S62 PolarHBondContact O-N 3.19Å; Y60-L63 PolarHBondContact O-N 3.41Å; Y60-R64 WeakPolarHBondContact O-CB 3.22Å; Y60-R64 PolarHBondContact O-N 3.29Å; Y60-L79 HydrophobicContact CE2-CB 4.02Å; Y60-D556 HydrophobicContact CE1-CB 4.22Å
61	L	88.6	Confident	89.8	Confident	12 Å²	12	35.9 Å²	35.9	6%	0.063	19%	0.192	C	C	.	.	H	α-helix	trans	-61.4	-39.6	176.1	-173.2	59.2	0	0	0	111.6	G57 L59 R64 N65 I555 Q565	G57-L61 PolarHBondContact O-N 3.42Å; L59-L61 PolarHBondContact O-N 3.25Å; L61-R64 PolarHBondContact O-N 3.48Å; L61-N65 WeakPolarHBondContact O-CB 3.36Å; L61-N65 VanDerWaalsContact O-CG 3.3Å; L61-N65 PolarHBondContact O-N 3.04Å; L61-N65 PolarHBondContact O-ND2 3.17Å; L61-I555 HydrophobicContact CD2-CG2 4.29Å; L61-Q565 HydrophobicContact CD2-CG 3.77Å
62	S	90.5	Very high	90	Very high	24 Å²	24	42.8 Å²	42.8	17%	0.168	22%	0.222	C	C	.	.	H	α-helix	trans	-66	-41.9	176.5	-56.5	0	0	0	0	112.7	V58 L59 Y60 N65 D66	V58-S62 PolarHBondContact O-N 2.94Å; V58-S62 VanDerWaalsContact O-N 3.1Å; V58-S62 PolarHBondContact O-OG 3.27Å; L59-S62 CarbonylContact O-C 3.57Å; L59-S62 WeakPolarHBondContact O-CA 3.45Å; L59-S62 WeakPolarHBondContact O-CB 3.37Å; L59-S62 PolarHBondContact O-N 2.99Å; L59-S62 VanDerWaalsContact O-N 3.11Å; Y60-S62 VanDerWaalsContact C-N 3.28Å; Y60-S62 PolarHBondContact O-N 3.19Å; S62-N65 PolarHBondContact O-N 3.16Å; S62-D66 WeakPolarHBondContact O-CB 3.35Å; S62-D66 PolarHBondContact O-N 3.03Å; S62-D66 VanDerWaalsContact O-N 3.1Å
63	L	91.6	Very high	90.1	Very high	21 Å²	21	48.4 Å²	48.4	11%	0.11	25%	0.251	C	S	.	.	H	α-helix	trans	-65.8	-40.3	176.8	-70.3	170.8	0	0	0	111.4	L59 Y60 N65 D66 F69 W147	L59-L63 VanDerWaalsContact O-CG 3.29Å; L59-L63 WeakPolarHBondContact O-CG 3.44Å; L59-L63 PolarHBondContact O-N 3.36Å; Y60-L63 PolarHBondContact O-N 3.41Å; L63-N65 VanDerWaalsContact C-N 3.28Å; L63-N65 PolarHBondContact O-N 3.46Å; L63-D66 PolarHBondContact O-N 3.27Å; L63-F69 HydrophobicContact CD2-CD2 4.24Å; L63-F69 HydrophobicContact CD2-CE2 3.48Å; L63-F69 VanDerWaalsContact CD2-CE2 3.48Å; L63-F69 HydrophobicContact CD2-CZ 4.01Å; L63-F69 WeakPolarHBondContact O-CD2 3.31Å; L63-W147 HydrophobicContact CD2-CD2 4.06Å; L63-W147 HydrophobicContact CD2-CE3 4.16Å; L63-W147 HydrophobicContact CD2-CH2 3.88Å; L63-W147 HydrophobicContact CD2-CZ2 3.74Å; L63-W147 HydrophobicContact CD2-CZ3 4.08Å
64	R	90.5	Very high	90.4	Very high	79 Å²	79	52.4 Å²	52.4	30%	0.298	27%	0.267	S	S	.	.	H	α-helix	trans	-63	-35.1	177.6	-174	179.7	-177.1	-176.3	3.6	112.6	Y60 L61 V70 D556	Y60-R64 WeakPolarHBondContact O-CB 3.22Å; Y60-R64 PolarHBondContact O-N 3.29Å; L61-R64 PolarHBondContact O-N 3.48Å; R64-V70 VanDerWaalsContact O-CG2 3.27Å; R64-V70 WeakPolarHBondContact O-CG2 3.25Å; R64-D556 IonicContact CZ-OD1 3.91Å; R64-D556 IonicContact NH1-OD1 2.66Å; R64-D556 PolarHBondContact NH1-OD1 3.06Å; R64-D556 IonicContact NH1-OD2 3.58Å
65	N	90.5	Very high	90.7	Very high	95 Å²	95	54.4 Å²	54.4	51%	0.508	28%	0.28	S	S	.	.	H	α-helix	trans	-91	-10.7	-177.4	-66.8	-21.3	0	0	0	113.7	L61 S62 L63 Q67	L61-N65 WeakPolarHBondContact O-CB 3.36Å; L61-N65 VanDerWaalsContact O-CG 3.3Å; L61-N65 PolarHBondContact O-N 3.04Å; L61-N65 PolarHBondContact O-ND2 3.17Å; S62-N65 PolarHBondContact O-N 3.16Å; L63-N65 VanDerWaalsContact C-N 3.28Å; L63-N65 PolarHBondContact O-N 3.46Å; N65-Q67 PolarHBondContact O-N 3.2Å
66	D	92.3	Very high	90.7	Very high	36 Å²	36	56.6 Å²	56.6	19%	0.193	29%	0.29	C	S	.	.			trans	-70.4	124.9	178.4	178.3	-33.9	0	0	0	110.5	S62 L63 A68 F69 V70 W147 R148	S62-D66 WeakPolarHBondContact O-CB 3.35Å; S62-D66 PolarHBondContact O-N 3.03Å; S62-D66 VanDerWaalsContact O-N 3.1Å; L63-D66 PolarHBondContact O-N 3.27Å; D66-A68 PolarHBondContact O-N 3.04Å; D66-A68 VanDerWaalsContact O-N 3.12Å; D66-A68 WeakPolarHBondContact OD1-CB 3.43Å; D66-A68 PolarHBondContact OD1-N 3.35Å; D66-F69 HydrophobicContact CB-CD2 3.95Å; D66-F69 PolarHBondContact O-N 2.97Å; D66-V70 WeakPolarHBondContact O-CG2 3.45Å; D66-V70 PolarHBondContact O-N 2.97Å; D66-W147 PolarHBondContact OD2-NE1 3.46Å; D66-R148 IonicContact OD2-NH1 3.89Å
67	Q	92	Very high	90.7	Very high	124 Å²	124	57 Å²	57	58%	0.579	29%	0.294	S	S	*	.	H	α-helix	trans	-56.2	-32	-174.3	-64.4	-61.2	-57.7	0	0	112.9	N65 F69 V70 N71	N65-Q67 PolarHBondContact O-N 3.2Å; Q67-F69 VanDerWaalsContact C-N 3.32Å; Q67-F69 PolarHBondContact O-N 3.01Å; Q67-V70 PolarHBondContact O-N 3.48Å; Q67-N71 VanDerWaalsContact O-CB 3.27Å; Q67-N71 WeakPolarHBondContact O-CB 3.46Å; Q67-N71 PolarHBondContact O-N 2.97Å; Q67-N71 PolarHBondContact O-ND2 3.38Å; Q67-N71 VanDerWaalsContact O-ND2 3.1Å
68	A	91.2	Very high	90.8	Very high	51 Å²	51	61.4 Å²	61.4	42%	0.421	32%	0.316	S	S	.	.	H	α-helix	trans	-64.7	-37.4	179	0	0	0	0	0	112.2	D66	D66-A68 PolarHBondContact O-N 3.04Å; D66-A68 VanDerWaalsContact O-N 3.12Å; D66-A68 WeakPolarHBondContact OD1-CB 3.43Å; D66-A68 PolarHBondContact OD1-N 3.35Å
69	F	92.3	Very high	90.9	Very high	51 Å²	51	62.1 Å²	62.1	22%	0.224	32%	0.32	C	S	.	.	H	α-helix	trans	-81.2	-38	177.2	-64.3	-68.2	0	0	0	111.8	L63 D66 Q67 N71 K72 N73 Y74 L79 W147	L63-F69 HydrophobicContact CD2-CD2 4.24Å; L63-F69 HydrophobicContact CD2-CE2 3.48Å; L63-F69 VanDerWaalsContact CD2-CE2 3.48Å; L63-F69 HydrophobicContact CD2-CZ 4.01Å; L63-F69 WeakPolarHBondContact O-CD2 3.31Å; D66-F69 HydrophobicContact CB-CD2 3.95Å; D66-F69 PolarHBondContact O-N 2.97Å; Q67-F69 VanDerWaalsContact C-N 3.32Å; Q67-F69 PolarHBondContact O-N 3.01Å; F69-N71 VanDerWaalsContact C-N 3.33Å; F69-N71 PolarHBondContact O-N 3.34Å; F69-K72 PolarHBondContact O-N 2.82Å; F69-K72 VanDerWaalsContact O-N 3.15Å; F69-N73 PolarHBondContact O-N 3.32Å; F69-N73 VanDerWaalsContact O-N 3.14Å; F69-Y74 HydrophobicContact CB-CD2 4.25Å; F69-Y74 AromaticContact CD1-CD2 3.75Å; F69-Y74 HydrophobicContact CD1-CD2 3.75Å; F69-Y74 AromaticContact CD1-CE2 3.77Å; F69-Y74 HydrophobicContact CD1-CE2 3.77Å; F69-Y74 HydrophobicContact CE1-CE2 4.46Å; F69-Y74 HydrophobicContact CG-CD2 4.49Å; F69-L79 HydrophobicContact CB-CD2 4.07Å; F69-L79 HydrophobicContact CD1-CD2 4.13Å; F69-L79 HydrophobicContact CG-CD2 4.09Å; F69-W147 HydrophobicContact CE2-CH2 4.43Å; F69-W147 AromaticContact CE2-CZ2 3.81Å; F69-W147 HydrophobicContact CE2-CZ2 3.81Å; F69-W147 HydrophobicContact CZ-CH2 4.48Å; F69-W147 HydrophobicContact CZ-CZ2 4.25Å
70	V	90.9	Very high	90.8	Very high	70 Å²	70	61.5 Å²	61.5	42%	0.424	32%	0.316	S	S	.	.	H	α-helix	trans	-58.7	-45.4	174.9	174.5	0	0	0	0	110.9	R64 D66 Q67 K72 N73	R64-V70 VanDerWaalsContact O-CG2 3.27Å; R64-V70 WeakPolarHBondContact O-CG2 3.25Å; D66-V70 WeakPolarHBondContact O-CG2 3.45Å; D66-V70 PolarHBondContact O-N 2.97Å; Q67-V70 PolarHBondContact O-N 3.48Å; V70-K72 PolarHBondContact O-N 3.47Å; V70-N73 PolarHBondContact O-N 2.87Å
71	N	93.1	Very high	90.7	Very high	127 Å²	127	64.5 Å²	64.5	68%	0.679	33%	0.331	S	S	*	.	H	α-helix	trans	-63.7	-26.6	179.1	-70.8	-21.1	0	0	0	113.3	Q67 F69	Q67-N71 VanDerWaalsContact O-CB 3.27Å; Q67-N71 WeakPolarHBondContact O-CB 3.46Å; Q67-N71 PolarHBondContact O-N 2.97Å; Q67-N71 PolarHBondContact O-ND2 3.38Å; Q67-N71 VanDerWaalsContact O-ND2 3.1Å; F69-N71 VanDerWaalsContact C-N 3.33Å; F69-N71 PolarHBondContact O-N 3.34Å
72	K	92.6	Very high	90.7	Very high	144 Å²	144	67.1 Å²	67.1	63%	0.626	35%	0.349	S	S	*	.	H	α-helix	trans	-88.5	-7.5	176.2	-72.9	-174.2	172.7	-173.6	0	113.6	F69 V70 Y74	F69-K72 PolarHBondContact O-N 2.82Å; F69-K72 VanDerWaalsContact O-N 3.15Å; V70-K72 PolarHBondContact O-N 3.47Å; K72-Y74 HydrophobicContact CB-CD2 3.77Å; K72-Y74 HydrophobicContact CB-CE2 3.5Å; K72-Y74 VanDerWaalsContact CB-CE2 3.5Å; K72-Y74 HydrophobicContact CD-CE2 3.56Å; K72-Y74 HydrophobicContact CG-CE2 4.17Å; K72-Y74 PolarHBondContact O-N 3.35Å
73	N	90.1	Very high	90.4	Very high	143 Å²	143	66 Å²	66	77%	0.765	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	47.3	178.1	-162.3	28.5	0	0	0	113.7	F69 V70	F69-N73 PolarHBondContact O-N 3.32Å; F69-N73 VanDerWaalsContact O-N 3.14Å; V70-N73 PolarHBondContact O-N 2.87Å
74	Y	90.2	Very high	90.1	Very high	92 Å²	92	65 Å²	65	36%	0.361	34%	0.336	S	S	.	.			trans	-65.9	144	174.7	-73	-70.3	0	0	0	111.7	F69 K72 I78	F69-Y74 HydrophobicContact CB-CD2 4.25Å; F69-Y74 AromaticContact CD1-CD2 3.75Å; F69-Y74 HydrophobicContact CD1-CD2 3.75Å; F69-Y74 AromaticContact CD1-CE2 3.77Å; F69-Y74 HydrophobicContact CD1-CE2 3.77Å; F69-Y74 HydrophobicContact CE1-CE2 4.46Å; F69-Y74 HydrophobicContact CG-CD2 4.49Å; K72-Y74 HydrophobicContact CB-CD2 3.77Å; K72-Y74 HydrophobicContact CB-CE2 3.5Å; K72-Y74 VanDerWaalsContact CB-CE2 3.5Å; K72-Y74 HydrophobicContact CD-CE2 3.56Å; K72-Y74 HydrophobicContact CG-CE2 4.17Å; K72-Y74 PolarHBondContact O-N 3.35Å; Y74-I78 HydrophobicContact CD1-CD1 4.43Å; Y74-I78 HydrophobicContact CD1-CG2 3.92Å; Y74-I78 HydrophobicContact CE1-CG2 4.48Å
75	S	90.7	Very high	89.9	Confident	45 Å²	45	64.4 Å²	64.4	32%	0.315	34%	0.338	S	S	.	.			trans	-67.6	157.5	172.4	70	0	0	0	0	111.6	T77 I78 L79 E684	S75-T77 PolarHBondContact O-N 3.13Å; S75-I78 PolarHBondContact O-N 3.39Å; S75-I78 WeakPolarHBondContact OG-CG1 3.48Å; S75-I78 PolarHBondContact OG-N 3.27Å; S75-L79 WeakPolarHBondContact O-CG 3.28Å; S75-L79 PolarHBondContact O-N 2.92Å; S75-E684 WeakPolarHBondContact CB-OE1 3.39Å
76	Q	88.5	Confident	89.7	Confident	46 Å²	46	63 Å²	63	22%	0.215	33%	0.329	C	S	.	.	H	α-helix	trans	-65.2	-33.6	176.8	-63.8	178.2	32.9	0	0	110.7	L79 S80 I680 E684	Q76-L79 PolarHBondContact O-N 3.34Å; Q76-S80 WeakPolarHBondContact O-CB 3.46Å; Q76-S80 PolarHBondContact O-N 3.3Å; Q76-S80 PolarHBondContact O-OG 3.01Å; Q76-I680 HydrophobicContact CB-CD1 4.44Å; Q76-I680 HydrophobicContact CB-CG1 4.06Å; Q76-E684 WeakPolarHBondContact CA-OE1 3.18Å; Q76-E684 WeakPolarHBondContact CB-OE1 3.35Å; Q76-E684 PolarHBondContact N-OE1 2.93Å
77	T	90.3	Very high	89.2	Confident	17 Å²	17	61.3 Å²	61.3	10%	0.104	32%	0.32	C	S	.	.	H	α-helix	trans	-54.6	-54	171.7	-63.3	0	0	0	0	110.8	S75 L79 S80 M81 T677 I680 T681 E684	S75-T77 PolarHBondContact O-N 3.13Å; T77-L79 PolarHBondContact O-N 3.25Å; T77-S80 PolarHBondContact O-N 3.17Å; T77-S80 PolarHBondContact O-OG 3.4Å; T77-S80 VanDerWaalsContact O-OG 3.13Å; T77-M81 WeakPolarHBondContact O-CG 3.48Å; T77-M81 PolarHBondContact O-N 3.46Å; T77-T677 HydrophobicContact CG2-CG2 3.93Å; T77-I680 HydrophobicContact CG2-CG2 4.47Å; T77-T681 PolarHBondContact OG1-OG1 3.39Å; T77-E684 WeakPolarHBondContact CB-OE2 3.4Å; T77-E684 PolarHBondContact N-OE1 3.08Å; T77-E684 PolarHBondContact OG1-OE2 3.07Å
78	I	89.8	Confident	88.8	Confident	94 Å²	94	55.4 Å²	55.4	48%	0.482	29%	0.292	S	S	.	.	H	α-helix	trans	-65.4	-39.9	-178.6	-65.6	168	0	0	0	111.6	Y74 S75 S80 M81	Y74-I78 HydrophobicContact CD1-CD1 4.43Å; Y74-I78 HydrophobicContact CD1-CG2 3.92Å; Y74-I78 HydrophobicContact CE1-CG2 4.48Å; S75-I78 PolarHBondContact O-N 3.39Å; S75-I78 WeakPolarHBondContact OG-CG1 3.48Å; S75-I78 PolarHBondContact OG-N 3.27Å; I78-S80 VanDerWaalsContact C-N 3.31Å; I78-S80 PolarHBondContact O-N 3.42Å; I78-M81 PolarHBondContact O-N 3.29Å
79	L	90.4	Very high	88.4	Confident	19 Å²	19	58.7 Å²	58.7	10%	0.099	30%	0.297	C	S	.	.	H	α-helix	trans	-67.3	-30.2	179.7	-71.7	170.2	0	0	0	113.3	Y60 F69 S75 Q76 T77	Y60-L79 HydrophobicContact CE2-CB 4.02Å; F69-L79 HydrophobicContact CB-CD2 4.07Å; F69-L79 HydrophobicContact CD1-CD2 4.13Å; F69-L79 HydrophobicContact CG-CD2 4.09Å; S75-L79 WeakPolarHBondContact O-CG 3.28Å; S75-L79 PolarHBondContact O-N 2.92Å; Q76-L79 PolarHBondContact O-N 3.34Å; T77-L79 PolarHBondContact O-N 3.25Å
80	S	89.2	Confident	87.8	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-86.4	-16.3	179.2	64.4	0	0	0	0	113.9	Q76 T77 I78 P82 G83 T84 Y553	Q76-S80 WeakPolarHBondContact O-CB 3.46Å; Q76-S80 PolarHBondContact O-N 3.3Å; Q76-S80 PolarHBondContact O-OG 3.01Å; T77-S80 PolarHBondContact O-N 3.17Å; T77-S80 PolarHBondContact O-OG 3.4Å; T77-S80 VanDerWaalsContact O-OG 3.13Å; I78-S80 VanDerWaalsContact C-N 3.31Å; I78-S80 PolarHBondContact O-N 3.42Å; S80-P82 VanDerWaalsContact C-CD 3.48Å; S80-G83 PolarHBondContact O-N 3.2Å; S80-T84 PolarHBondContact O-N 3.42Å; S80-Y553 WeakPolarHBondContact CB-OH 3.43Å; S80-Y553 PolarHBondContact OG-OH 3.12Å
81	M	89.3	Confident	87.3	Confident	65 Å²	65	54.2 Å²	54.2	32%	0.32	27%	0.272	S	S	.	.	H	α-helix	trans	-51	-42.5	-178	-84.6	-65.8	-159.5	0	0	115.2	T77 I78 G83 T84 I85 T677	T77-M81 WeakPolarHBondContact O-CG 3.48Å; T77-M81 PolarHBondContact O-N 3.46Å; I78-M81 PolarHBondContact O-N 3.29Å; M81-G83 PolarHBondContact O-N 2.7Å; M81-T84 PolarHBondContact O-N 3.31Å; M81-T84 PolarHBondContact O-OG1 2.79Å; M81-I85 HydrophobicContact CB-CD1 4.2Å; M81-I85 WeakPolarHBondContact O-CB 3.4Å; M81-I85 VanDerWaalsContact O-CG1 3.29Å; M81-I85 WeakPolarHBondContact O-CG1 3.38Å; M81-I85 PolarHBondContact O-N 2.9Å; M81-I85 HydrophobicContact SD-CD1 4.46Å; M81-I85 HydrophobicContact SD-CG1 4.48Å; M81-T677 HydrophobicContact CE-CG2 3.42Å; M81-T677 VanDerWaalsContact CE-CG2 3.42Å; M81-T677 HydrophobicContact SD-CG2 3.95Å
82	P	87.9	Confident	86.5	Confident	66 Å²	66	49.1 Å²	49.1	43%	0.429	25%	0.246	S	C	.	.	H	α-helix	trans	-56.8	-35.6	177.6	-26.4	35.7	0	0	0	112.7	F56 S80 T84 Q86	F56-P82 HydrophobicContact CE2-CB 3.98Å; F56-P82 HydrophobicContact CZ-CB 4.34Å; S80-P82 VanDerWaalsContact C-CD 3.48Å; P82-T84 VanDerWaalsContact C-N 3.33Å; P82-T84 PolarHBondContact O-N 3.41Å; P82-Q86 WeakPolarHBondContact O-CB 3.5Å; P82-Q86 PolarHBondContact O-N 3.4Å
83	G	84.6	Confident	85.4	Confident	2 Å²	2	43.1 Å²	43.1	2%	0.021	22%	0.222	C	C	.	.	H	α-helix	trans	-76.6	-14.3	177.4	0	0	0	0	0	115	F56 S80 M81 P87	F56-G83 VanDerWaalsContact CD1-CA 3.47Å; F56-G83 VanDerWaalsContact CE1-CA 3.44Å; F56-G83 VanDerWaalsContact CE2-N 3.3Å; S80-G83 PolarHBondContact O-N 3.2Å; M81-G83 PolarHBondContact O-N 2.7Å; G83-P87 WeakPolarHBondContact O-CD 3.39Å; G83-P87 WeakPolarHBondContact O-CG 3.33Å
84	T	86.4	Confident	84	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-96.4	-40.4	174.6	69.5	0	0	0	0	111.1	S80 M81 P82 P87 G88 P676 T677	S80-T84 PolarHBondContact O-N 3.42Å; M81-T84 PolarHBondContact O-N 3.31Å; M81-T84 PolarHBondContact O-OG1 2.79Å; P82-T84 VanDerWaalsContact C-N 3.33Å; P82-T84 PolarHBondContact O-N 3.41Å; T84-P87 WeakPolarHBondContact O-CD 3.42Å; T84-P87 WeakPolarHBondContact O-CG 3.45Å; T84-G88 PolarHBondContact O-N 3.1Å; T84-P676 HydrophobicContact CG2-CB 3.68Å; T84-P676 HydrophobicContact CG2-CG 4.14Å; T84-T677 PolarHBondContact OG1-OG1 3.2Å
85	I	86.3	Confident	83.1	Confident	66 Å²	66	36.4 Å²	36.4	34%	0.338	21%	0.208	S	C	.	.	H	α-helix	trans	-64.8	-45.8	177.1	-68.6	175.3	0	0	0	110.6	M81 G88 F89 M673	M81-I85 HydrophobicContact CB-CD1 4.2Å; M81-I85 WeakPolarHBondContact O-CB 3.4Å; M81-I85 VanDerWaalsContact O-CG1 3.29Å; M81-I85 WeakPolarHBondContact O-CG1 3.38Å; M81-I85 PolarHBondContact O-N 2.9Å; M81-I85 HydrophobicContact SD-CD1 4.46Å; M81-I85 HydrophobicContact SD-CG1 4.48Å; I85-G88 WeakPolarHBondContact O-CA 3.31Å; I85-G88 PolarHBondContact O-N 2.76Å; I85-G88 VanDerWaalsContact O-N 3.11Å; I85-F89 HydrophobicContact CG2-CD2 3.46Å; I85-F89 VanDerWaalsContact CG2-CD2 3.46Å; I85-F89 HydrophobicContact CG2-CE2 3.59Å; I85-F89 WeakPolarHBondContact O-CD2 3.15Å; I85-F89 PolarHBondContact O-N 2.84Å; I85-M673 HydrophobicContact CB-CE 4.33Å; I85-M673 HydrophobicContact CG1-CE 3.95Å; I85-M673 HydrophobicContact CG2-CE 4.28Å
86	Q	84.9	Confident	82.2	Confident	65 Å²	65	38.1 Å²	38.1	30%	0.304	23%	0.225	S	C	.	.	H	α-helix	trans	-55.6	-56.3	-177.2	179.9	-171.2	-64.2	0	0	113.5	T52 P82 G88 F89 F90	T52-Q86 PolarHBondContact O-NE2 3.29Å; P82-Q86 WeakPolarHBondContact O-CB 3.5Å; P82-Q86 PolarHBondContact O-N 3.4Å; Q86-G88 PolarHBondContact O-N 3.45Å; Q86-F89 PolarHBondContact O-N 3.38Å; Q86-F90 WeakPolarHBondContact O-CB 3.33Å; Q86-F90 PolarHBondContact O-N 3.19Å
87	P	82	Confident	81.7	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.006	23%	0.229	C	C	.	.	H	α-helix	trans	-63.5	-28.6	176.6	23.1	-31.9	0	0	0	112.9	G83 T84 F90 L91 F548	G83-P87 WeakPolarHBondContact O-CD 3.39Å; G83-P87 WeakPolarHBondContact O-CG 3.33Å; T84-P87 WeakPolarHBondContact O-CD 3.42Å; T84-P87 WeakPolarHBondContact O-CG 3.45Å; P87-F90 WeakPolarHBondContact O-CB 3.48Å; P87-F90 PolarHBondContact O-N 3.34Å; P87-L91 WeakPolarHBondContact O-CB 3.43Å; P87-L91 WeakPolarHBondContact O-CG 3.43Å; P87-L91 PolarHBondContact O-N 3.42Å; P87-F548 HydrophobicContact CB-CD1 4.19Å; P87-F548 HydrophobicContact CB-CD2 3.98Å; P87-F548 HydrophobicContact CB-CE1 3.64Å; P87-F548 HydrophobicContact CB-CE2 3.37Å; P87-F548 HydrophobicContact CB-CG 4.36Å; P87-F548 HydrophobicContact CB-CZ 3.2Å; P87-F548 HydrophobicContact CG-CD1 4.31Å; P87-F548 HydrophobicContact CG-CD2 4.04Å; P87-F548 HydrophobicContact CG-CE1 4.24Å; P87-F548 HydrophobicContact CG-CE2 3.95Å; P87-F548 HydrophobicContact CG-CG 4.23Å; P87-F548 HydrophobicContact CG-CZ 4.09Å
88	G	85.1	Confident	81.3	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.7	-55.7	174.3	0	0	0	0	0	113.8	T84 I85 Q86 F90 L91 C92 G669 S672	T84-G88 PolarHBondContact O-N 3.1Å; I85-G88 WeakPolarHBondContact O-CA 3.31Å; I85-G88 PolarHBondContact O-N 2.76Å; I85-G88 VanDerWaalsContact O-N 3.11Å; Q86-G88 PolarHBondContact O-N 3.45Å; G88-F90 PolarHBondContact O-N 3.31Å; G88-L91 PolarHBondContact O-N 3.21Å; G88-C92 WeakPolarHBondContact O-CB 3.46Å; G88-C92 PolarHBondContact O-N 2.76Å; G88-C92 PolarHBondContact O-SG 3.18Å; G88-G669 VanDerWaalsContact CA-O 3.3Å; G88-G669 WeakPolarHBondContact CA-O 3.28Å; G88-G669 WeakPolarHBondContact O-CA 3.36Å; G88-S672 WeakPolarHBondContact CA-OG 3.29Å; G88-S672 PolarHBondContact N-OG 3.5Å
89	F	82.2	Confident	81	Confident	120 Å²	120	38 Å²	38	53%	0.526	22%	0.222	S	C	.	.	H	α-helix	trans	-61.6	-29.5	175.2	-87.9	-88.7	0	0	0	112.8	I85 Q86 S95 M673	I85-F89 HydrophobicContact CG2-CD2 3.46Å; I85-F89 VanDerWaalsContact CG2-CD2 3.46Å; I85-F89 HydrophobicContact CG2-CE2 3.59Å; I85-F89 WeakPolarHBondContact O-CD2 3.15Å; I85-F89 PolarHBondContact O-N 2.84Å; Q86-F89 PolarHBondContact O-N 3.38Å; F89-S95 PolarHBondContact O-OG 3.42Å; F89-M673 HydrophobicContact CD2-CE 4.37Å; F89-M673 HydrophobicContact CE2-CE 4.09Å
90	F	79.6	Confident	80.8	Confident	19 Å²	19	39 Å²	39	8%	0.083	23%	0.227	C	C	.	.	H	α-helix	trans	-68.1	-50.7	174	159.9	-110.9	0	0	0	112.1	I49 Q86 P87 G88 C92 F97 G98 M101	I49-F90 HydrophobicContact CB-CE2 4.26Å; I49-F90 HydrophobicContact CB-CZ 4.38Å; I49-F90 HydrophobicContact CD1-CE2 3.78Å; I49-F90 HydrophobicContact CD1-CZ 4.35Å; I49-F90 HydrophobicContact CG1-CE2 4.16Å; I49-F90 HydrophobicContact CG2-CD1 4.01Å; I49-F90 HydrophobicContact CG2-CD2 3.68Å; I49-F90 HydrophobicContact CG2-CE1 3.47Å; I49-F90 VanDerWaalsContact CG2-CE1 3.47Å; I49-F90 HydrophobicContact CG2-CE2 3.14Å; I49-F90 HydrophobicContact CG2-CG 4.1Å; I49-F90 HydrophobicContact CG2-CZ 3.01Å; Q86-F90 WeakPolarHBondContact O-CB 3.33Å; Q86-F90 PolarHBondContact O-N 3.19Å; P87-F90 WeakPolarHBondContact O-CB 3.48Å; P87-F90 PolarHBondContact O-N 3.34Å; G88-F90 PolarHBondContact O-N 3.31Å; F90-C92 VanDerWaalsContact C-N 3.31Å; F90-F97 HydrophobicContact CD2-CB 3.59Å; F90-F97 HydrophobicContact CE2-CB 4.16Å; F90-G98 WeakPolarHBondContact O-CA 3.46Å; F90-G98 PolarHBondContact O-N 3.03Å; F90-M101 HydrophobicContact CE1-SD 3.98Å; F90-M101 HydrophobicContact CE2-CB 3.52Å; F90-M101 HydrophobicContact CE2-CG 4.09Å; F90-M101 HydrophobicContact CE2-SD 3.99Å; F90-M101 HydrophobicContact CZ-CB 3.63Å; F90-M101 HydrophobicContact CZ-CE 4.22Å; F90-M101 HydrophobicContact CZ-CG 3.64Å; F90-M101 HydrophobicContact CZ-SD 3.3Å; F90-M101 WeakPolarHBondContact CZ-SD 3.36Å
91	L	79.5	Confident	80.7	Confident	8 Å²	8	39.7 Å²	39.7	4%	0.042	23%	0.231	C	C	.	.	H	α-helix	trans	-72.1	-27.6	-179.5	-73.3	170.7	0	0	0	111.9	P87 G88 T93 M101 Q544 F548 N665 K668 G669	P87-L91 WeakPolarHBondContact O-CB 3.43Å; P87-L91 WeakPolarHBondContact O-CG 3.43Å; P87-L91 PolarHBondContact O-N 3.42Å; G88-L91 PolarHBondContact O-N 3.21Å; L91-T93 PolarHBondContact O-N 3.14Å; L91-T93 VanDerWaalsContact O-N 3.08Å; L91-M101 HydrophobicContact CD2-CE 3.96Å; L91-M101 HydrophobicContact CD2-SD 4.09Å; L91-Q544 HydrophobicContact CD1-CG 4.22Å; L91-F548 HydrophobicContact CD1-CE2 3.95Å; L91-F548 HydrophobicContact CD1-CZ 4.19Å; L91-N665 CarbonylContact C-O 3.53Å; L91-N665 CarbonylContact O-C 3.29Å; L91-N665 VanDerWaalsContact O-CB 3.32Å; L91-N665 WeakPolarHBondContact O-CB 3.37Å; L91-K668 HydrophobicContact CD1-CB 4.5Å; L91-G669 VanDerWaalsContact CB-CA 3.48Å
92	C	76.6	Confident	80.6	Confident	20 Å²	20	37.1 Å²	37.1	14%	0.135	22%	0.219	C	C	.	.	S	Bend	trans	-59.5	114	171.7	-75.1	0	0	0	0	110.5	G88 F90 G94 S95 L666	G88-C92 WeakPolarHBondContact O-CB 3.46Å; G88-C92 PolarHBondContact O-N 2.76Å; G88-C92 PolarHBondContact O-SG 3.18Å; F90-C92 VanDerWaalsContact C-N 3.31Å; C92-G94 PolarHBondContact O-N 3.48Å; C92-S95 PolarHBondContact O-OG 3.27Å; C92-L666 HydrophobicContact CB-CD1 4.15Å
93	T	69.3	Low	80.7	Confident	18 Å²	18	36.8 Å²	36.8	11%	0.11	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	128.9	179	-58.8	0	0	0	0	109.8	L91 V102 S662	L91-T93 PolarHBondContact O-N 3.14Å; L91-T93 VanDerWaalsContact O-N 3.08Å; T93-V102 HydrophobicContact CG2-CG2 4.32Å; T93-S662 VanDerWaalsContact OG1-CA 3.27Å; T93-S662 WeakPolarHBondContact OG1-CA 3.3Å; T93-S662 PolarHBondContact OG1-O 3.23Å
94	G	62.2	Low	81	Confident	55 Å²	55	36.7 Å²	36.7	57%	0.567	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	114.2	-6.8	176.8	0	0	0	0	0	115.8	C92	C92-G94 PolarHBondContact O-N 3.48Å
95	S	69.7	Low	81.2	Confident	38 Å²	38	37 Å²	37	27%	0.266	22%	0.218	S	C	.	.	S	Bend	trans	-115.5	124.1	175.5	35.6	0	0	0	0	113	F89 C92 F97 G98	F89-S95 PolarHBondContact O-OG 3.42Å; C92-S95 PolarHBondContact O-OG 3.27Å; S95-F97 PolarHBondContact O-N 3.1Å; S95-G98 PolarHBondContact O-N 3.41Å
96	A	73.2	Confident	81.4	Confident	81 Å²	81	34.3 Å²	34.3	67%	0.669	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	39.3	-103.7	169.1	0	0	0	0	0	114.6	G98 I99	A96-G98 VanDerWaalsContact C-N 3.32Å; A96-G98 PolarHBondContact O-N 3.23Å; A96-I99 PolarHBondContact O-N 3.31Å
97	F	78.1	Confident	81.6	Confident	68 Å²	68	32.2 Å²	32.2	30%	0.298	20%	0.197	S	C	.	.	H	α-helix	trans	-68	-23.5	-178	-72.3	-65.2	0	0	0	114.4	I49 F90 S95 I99 L100 M101 T162	I49-F97 HydrophobicContact CD1-CB 4.39Å; I49-F97 HydrophobicContact CD1-CD1 4.41Å; I49-F97 HydrophobicContact CG1-CB 4.24Å; I49-F97 HydrophobicContact CG1-CD1 3.92Å; I49-F97 HydrophobicContact CG1-CG 4.31Å; F90-F97 HydrophobicContact CD2-CB 3.59Å; F90-F97 HydrophobicContact CE2-CB 4.16Å; S95-F97 PolarHBondContact O-N 3.1Å; F97-I99 VanDerWaalsContact C-N 3.33Å; F97-I99 PolarHBondContact O-N 2.94Å; F97-L100 HydrophobicContact CD1-CD1 3.85Å; F97-L100 HydrophobicContact CE1-CD1 4.25Å; F97-L100 WeakPolarHBondContact O-CB 3.47Å; F97-L100 PolarHBondContact O-N 3.48Å; F97-L100 VanDerWaalsContact O-N 3.17Å; F97-M101 PolarHBondContact O-N 3.07Å; F97-T162 HydrophobicContact CE1-CG2 4.22Å
98	G	80.7	Confident	82.1	Confident	1 Å²	1	32.2 Å²	32.2	1%	0.01	20%	0.197	C	C	.	.	H	α-helix	trans	-63.4	-38.6	177.2	0	0	0	0	0	112.6	F90 S95 A96 M101 V102	F90-G98 WeakPolarHBondContact O-CA 3.46Å; F90-G98 PolarHBondContact O-N 3.03Å; S95-G98 PolarHBondContact O-N 3.41Å; A96-G98 VanDerWaalsContact C-N 3.32Å; A96-G98 PolarHBondContact O-N 3.23Å; G98-M101 PolarHBondContact O-N 3.4Å; G98-V102 WeakPolarHBondContact O-CG2 3.42Å; G98-V102 PolarHBondContact O-N 2.93Å
99	I	83.5	Confident	82.3	Confident	86 Å²	86	32.3 Å²	32.3	44%	0.441	20%	0.198	S	C	.	.	H	α-helix	trans	-63.4	-44.5	173.2	-60.4	173.6	0	0	0	110	A96 F97 M101 V102 C103	A96-I99 PolarHBondContact O-N 3.31Å; F97-I99 VanDerWaalsContact C-N 3.33Å; F97-I99 PolarHBondContact O-N 2.94Å; I99-M101 PolarHBondContact O-N 3.3Å; I99-V102 PolarHBondContact O-N 2.86Å; I99-C103 WeakPolarHBondContact O-CB 3.47Å; I99-C103 PolarHBondContact O-N 3.38Å; I99-C103 PolarHBondContact O-SG 3.27Å
100	L	85.9	Confident	82.5	Confident	39 Å²	39	30.1 Å²	30.1	20%	0.204	19%	0.186	C	C	.	.	H	α-helix	trans	-62.1	-41	178.7	-71.1	174	0	0	0	112.3	I45 I49 F97 C103 A104 S166	I45-L100 HydrophobicContact CG2-CB 4.17Å; I49-L100 HydrophobicContact CD1-CB 4.47Å; F97-L100 HydrophobicContact CD1-CD1 3.85Å; F97-L100 HydrophobicContact CE1-CD1 4.25Å; F97-L100 WeakPolarHBondContact O-CB 3.47Å; F97-L100 PolarHBondContact O-N 3.48Å; F97-L100 VanDerWaalsContact O-N 3.17Å; L100-C103 PolarHBondContact O-N 3.17Å; L100-A104 VanDerWaalsContact O-CB 3.24Å; L100-A104 WeakPolarHBondContact O-CB 3.34Å; L100-A104 PolarHBondContact O-N 3.35Å; L100-S166 WeakPolarHBondContact CD2-OG 3.3Å
101	M	87.1	Confident	83	Confident	15 Å²	15	30 Å²	30	7%	0.074	19%	0.186	C	C	.	.	H	α-helix	trans	-62.5	-49.5	175.3	174.6	-153.2	-169.2	0	0	111.7	I49 F90 L91 F97 G98 I99 C103 A104 I105 F661	I49-M101 HydrophobicContact CD1-CB 4.14Å; F90-M101 HydrophobicContact CE1-SD 3.98Å; F90-M101 HydrophobicContact CE2-CB 3.52Å; F90-M101 HydrophobicContact CE2-CG 4.09Å; F90-M101 HydrophobicContact CE2-SD 3.99Å; F90-M101 HydrophobicContact CZ-CB 3.63Å; F90-M101 HydrophobicContact CZ-CE 4.22Å; F90-M101 HydrophobicContact CZ-CG 3.64Å; F90-M101 HydrophobicContact CZ-SD 3.3Å; F90-M101 WeakPolarHBondContact CZ-SD 3.36Å; L91-M101 HydrophobicContact CD2-CE 3.96Å; L91-M101 HydrophobicContact CD2-SD 4.09Å; F97-M101 PolarHBondContact O-N 3.07Å; G98-M101 PolarHBondContact O-N 3.4Å; I99-M101 PolarHBondContact O-N 3.3Å; M101-C103 VanDerWaalsContact C-N 3.33Å; M101-C103 PolarHBondContact O-N 3.43Å; M101-A104 PolarHBondContact O-N 3.38Å; M101-I105 HydrophobicContact CE-CD1 3.73Å; M101-I105 HydrophobicContact CG-CD1 3.66Å; M101-I105 HydrophobicContact CG-CG1 4.48Å; M101-I105 WeakPolarHBondContact O-CB 3.44Å; M101-I105 WeakPolarHBondContact O-CG1 3.36Å; M101-I105 PolarHBondContact O-N 2.76Å; M101-I105 HydrophobicContact SD-CD1 4.49Å; M101-F661 HydrophobicContact CE-CE1 4.38Å; M101-F661 HydrophobicContact CE-CZ 4.02Å
102	V	88.9	Confident	83.5	Confident	11 Å²	11	29.7 Å²	29.7	7%	0.067	18%	0.184	C	C	.	.	H	α-helix	trans	-59.1	-48.2	179	174.3	0	0	0	0	109.6	T93 G98 I99 A104 I105 V106 T658 F661	T93-V102 HydrophobicContact CG2-CG2 4.32Å; G98-V102 WeakPolarHBondContact O-CG2 3.42Å; G98-V102 PolarHBondContact O-N 2.93Å; I99-V102 PolarHBondContact O-N 2.86Å; V102-A104 PolarHBondContact O-N 3.12Å; V102-I105 PolarHBondContact O-N 3.17Å; V102-V106 HydrophobicContact CG1-CG2 3.92Å; V102-V106 WeakPolarHBondContact O-CB 2.91Å; V102-V106 WeakPolarHBondContact O-CG2 3.45Å; V102-V106 PolarHBondContact O-N 2.92Å; V102-T658 HydrophobicContact CG1-CG2 4.18Å; V102-F661 HydrophobicContact CG1-CD1 4.43Å; V102-F661 HydrophobicContact CG2-CD1 4.08Å; V102-F661 HydrophobicContact CG2-CE1 4.27Å
103	C	89.3	Confident	83.8	Confident	59 Å²	59	32.3 Å²	32.3	40%	0.399	20%	0.197	S	C	.	.	H	α-helix	trans	-59.5	-46	177.6	-70.8	0	0	0	0	112.7	I99 L100 M101 S107 L169	I99-C103 WeakPolarHBondContact O-CB 3.47Å; I99-C103 PolarHBondContact O-N 3.38Å; I99-C103 PolarHBondContact O-SG 3.27Å; L100-C103 PolarHBondContact O-N 3.17Å; M101-C103 VanDerWaalsContact C-N 3.33Å; M101-C103 PolarHBondContact O-N 3.43Å; C103-S107 WeakPolarHBondContact O-CB 3.38Å; C103-S107 PolarHBondContact O-N 2.9Å; C103-S107 PolarHBondContact O-OG 3.42Å; C103-L169 HydrophobicContact CB-CD1 4.19Å
104	A	90.9	Very high	84.6	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-61	-49.1	178.8	0	0	0	0	0	111.6	S42 I45 L100 M101 V102 S107 V108	S42-A104 PolarHBondContact OG-O 2.91Å; I45-A104 HydrophobicContact CB-CB 4.26Å; I45-A104 HydrophobicContact CD1-CB 4.16Å; I45-A104 HydrophobicContact CG2-CB 3.94Å; L100-A104 VanDerWaalsContact O-CB 3.24Å; L100-A104 WeakPolarHBondContact O-CB 3.34Å; L100-A104 PolarHBondContact O-N 3.35Å; M101-A104 PolarHBondContact O-N 3.38Å; V102-A104 PolarHBondContact O-N 3.12Å; A104-S107 PolarHBondContact O-OG 3Å; A104-S107 VanDerWaalsContact O-OG 3.09Å; A104-V108 WeakPolarHBondContact O-CG2 3.37Å; A104-V108 PolarHBondContact O-N 3.05Å
105	I	90.4	Very high	85.8	Confident	6 Å²	6	40.5 Å²	40.5	3%	0.031	21%	0.209	C	C	.	.	H	α-helix	trans	-73.2	-46.7	-175	-65.6	174.2	0	0	0	111.6	M101 V102 V108 N109 M124 P645 F661	M101-I105 HydrophobicContact CE-CD1 3.73Å; M101-I105 HydrophobicContact CG-CD1 3.66Å; M101-I105 HydrophobicContact CG-CG1 4.48Å; M101-I105 WeakPolarHBondContact O-CB 3.44Å; M101-I105 WeakPolarHBondContact O-CG1 3.36Å; M101-I105 PolarHBondContact O-N 2.76Å; M101-I105 HydrophobicContact SD-CD1 4.49Å; V102-I105 PolarHBondContact O-N 3.17Å; I105-V108 PolarHBondContact O-N 3.47Å; I105-N109 PolarHBondContact O-N 3.41Å; I105-N109 PolarHBondContact O-ND2 3.46Å; I105-M124 HydrophobicContact CB-CE 4.21Å; I105-M124 HydrophobicContact CD1-CE 3.79Å; I105-M124 HydrophobicContact CD1-SD 4.43Å; I105-M124 HydrophobicContact CG1-CE 3.83Å; I105-M124 HydrophobicContact CG2-CE 3.42Å; I105-M124 VanDerWaalsContact CG2-CE 3.42Å; I105-P645 HydrophobicContact CG2-CB 4.06Å; I105-P645 HydrophobicContact CG2-CG 4.01Å; I105-F661 HydrophobicContact CB-CE1 4.13Å; I105-F661 HydrophobicContact CB-CZ 4.14Å; I105-F661 HydrophobicContact CD1-CE1 3.9Å; I105-F661 HydrophobicContact CD1-CZ 3.47Å; I105-F661 VanDerWaalsContact CD1-CZ 3.47Å; I105-F661 HydrophobicContact CG1-CZ 4.41Å; I105-F661 HydrophobicContact CG2-CE1 4.1Å; I105-F661 HydrophobicContact CG2-CE2 4.15Å; I105-F661 HydrophobicContact CG2-CZ 3.77Å
106	V	90.2	Very high	86.8	Confident	10 Å²	10	39.5 Å²	39.5	6%	0.061	20%	0.199	C	C	.	.	H	α-helix	trans	-66.6	-43.7	-177	173.8	0	0	0	0	110.3	V102 V108 N109 Y110 L657 F661	V102-V106 HydrophobicContact CG1-CG2 3.92Å; V102-V106 WeakPolarHBondContact O-CB 2.91Å; V102-V106 WeakPolarHBondContact O-CG2 3.45Å; V102-V106 PolarHBondContact O-N 2.92Å; V106-V108 VanDerWaalsContact C-N 3.31Å; V106-V108 PolarHBondContact O-N 2.92Å; V106-N109 PolarHBondContact O-N 3.34Å; V106-Y110 HydrophobicContact CG1-CD2 3.74Å; V106-Y110 HydrophobicContact CG1-CE2 3.5Å; V106-Y110 VanDerWaalsContact CG1-CE2 3.5Å; V106-Y110 WeakPolarHBondContact O-CD2 3.23Å; V106-Y110 PolarHBondContact O-N 3.45Å; V106-L657 HydrophobicContact CG1-CD2 4.31Å; V106-L657 HydrophobicContact CG2-CG 4.36Å; V106-F661 HydrophobicContact CG2-CD1 4.31Å
107	S	89.9	Confident	87.5	Confident	22 Å²	22	35.7 Å²	35.7	15%	0.154	17%	0.168	C	C	.	.	H	α-helix	trans	-58.4	-41.1	-179.7	61.4	0	0	0	0	112.6	I38 C103 A104 N109 Y110 Y111	I38-S107 VanDerWaalsContact CG2-OG 3.28Å; I38-S107 WeakPolarHBondContact CG2-OG 3.39Å; C103-S107 WeakPolarHBondContact O-CB 3.38Å; C103-S107 PolarHBondContact O-N 2.9Å; C103-S107 PolarHBondContact O-OG 3.42Å; A104-S107 PolarHBondContact O-OG 3Å; A104-S107 VanDerWaalsContact O-OG 3.09Å; S107-N109 VanDerWaalsContact C-N 3.26Å; S107-N109 PolarHBondContact O-N 3.23Å; S107-Y110 PolarHBondContact O-N 3.21Å; S107-Y111 VanDerWaalsContact O-CD2 3.31Å; S107-Y111 WeakPolarHBondContact O-CD2 3.38Å; S107-Y111 PolarHBondContact O-N 3.27Å
108	V	92.1	Very high	88.1	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.006	17%	0.165	C	C	.	.	H	α-helix	trans	-56.6	-42.4	174.7	173.5	0	0	0	0	111.2	I38 V39 S42 A104 I105 V106 Y110 Y111 F112 A119 A123	I38-V108 HydrophobicContact CG2-CG2 3.86Å; V39-V108 HydrophobicContact CG2-CG1 4.13Å; V39-V108 HydrophobicContact CG2-CG2 4.27Å; S42-V108 WeakPolarHBondContact OG-CG2 3.17Å; A104-V108 WeakPolarHBondContact O-CG2 3.37Å; A104-V108 PolarHBondContact O-N 3.05Å; I105-V108 PolarHBondContact O-N 3.47Å; V106-V108 VanDerWaalsContact C-N 3.31Å; V106-V108 PolarHBondContact O-N 2.92Å; V108-Y110 VanDerWaalsContact C-N 3.3Å; V108-Y110 PolarHBondContact O-N 3Å; V108-Y111 PolarHBondContact O-N 3.32Å; V108-F112 HydrophobicContact CG1-CD2 4.19Å; V108-F112 WeakPolarHBondContact O-CD2 3.29Å; V108-F112 PolarHBondContact O-N 2.87Å; V108-A119 HydrophobicContact CG1-CB 3.79Å; V108-A123 HydrophobicContact CG1-CB 4.43Å; V108-A123 HydrophobicContact CG2-CB 3.85Å
109	N	89	Confident	88.6	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-70.5	-23.3	-176.9	-75.6	-86.2	0	0	0	113.8	I105 V106 S107 F112 R116 S120 L657	I105-N109 PolarHBondContact O-N 3.41Å; I105-N109 PolarHBondContact O-ND2 3.46Å; V106-N109 PolarHBondContact O-N 3.34Å; S107-N109 VanDerWaalsContact C-N 3.26Å; S107-N109 PolarHBondContact O-N 3.23Å; N109-F112 VanDerWaalsContact O-O 3.1Å; N109-R116 PolarHBondContact O-NE 3.28Å; N109-R116 WeakPolarHBondContact OD1-CD 3.37Å; N109-R116 WeakPolarHBondContact OD1-CG 3.04Å; N109-S120 PolarHBondContact OD1-OG 2.74Å; N109-L657 HydrophobicContact CB-CD2 3.59Å
110	Y	87.8	Confident	89.1	Confident	74 Å²	74	30.5 Å²	30.5	29%	0.29	14%	0.144	S	C	.	.	H	α-helix	trans	-79.8	-29.7	171.9	-83.1	-84.6	0	0	0	113.3	V106 S107 V108 L654	V106-Y110 HydrophobicContact CG1-CD2 3.74Å; V106-Y110 HydrophobicContact CG1-CE2 3.5Å; V106-Y110 VanDerWaalsContact CG1-CE2 3.5Å; V106-Y110 WeakPolarHBondContact O-CD2 3.23Å; V106-Y110 PolarHBondContact O-N 3.45Å; S107-Y110 PolarHBondContact O-N 3.21Å; V108-Y110 VanDerWaalsContact C-N 3.3Å; V108-Y110 PolarHBondContact O-N 3Å; Y110-L654 HydrophobicContact CD1-CD2 4.32Å; Y110-L654 HydrophobicContact CD1-CG 4.44Å; Y110-L654 HydrophobicContact CE1-CD2 4.32Å; Y110-L654 HydrophobicContact CE1-CG 4.08Å; Y110-L654 PolarHBondContact OH-O 3.2Å; Y110-L654 VanDerWaalsContact OH-O 3.14Å
111	Y	88.9	Confident	89.4	Confident	17 Å²	17	28.7 Å²	28.7	7%	0.067	13%	0.134	C	C	.	.	H	α-helix	trans	-83.8	-16.1	-178.9	-87	-100.1	0	0	0	113.9	T30 D31 W34 I38 S107 V108 K170 F172	T30-Y111 CarbonylContact C-O 3.15Å; T30-Y111 VanDerWaalsContact CA-O 3.29Å; T30-Y111 WeakPolarHBondContact CA-O 3.31Å; D31-Y111 PolarHBondContact N-O 3.07Å; W34-Y111 HydrophobicContact CB-CE1 4.22Å; I38-Y111 HydrophobicContact CD1-CD1 3.87Å; I38-Y111 HydrophobicContact CD1-CD2 3.34Å; I38-Y111 HydrophobicContact CD1-CE1 3.57Å; I38-Y111 HydrophobicContact CD1-CE2 3Å; I38-Y111 HydrophobicContact CD1-CG 3.74Å; S107-Y111 VanDerWaalsContact O-CD2 3.31Å; S107-Y111 WeakPolarHBondContact O-CD2 3.38Å; S107-Y111 PolarHBondContact O-N 3.27Å; V108-Y111 PolarHBondContact O-N 3.32Å; Y111-K170 PolarHBondContact OH-O 3.22Å; Y111-K170 VanDerWaalsContact OH-O 3.1Å; Y111-F172 AromaticContact CD1-CD2 3.89Å; Y111-F172 HydrophobicContact CD1-CD2 3.89Å; Y111-F172 HydrophobicContact CD1-CE2 4.14Å; Y111-F172 HydrophobicContact CD2-CB 4.21Å; Y111-F172 AromaticContact CD2-CD2 3.86Å; Y111-F172 HydrophobicContact CD2-CD2 3.86Å; Y111-F172 HydrophobicContact CD2-CG 4.32Å; Y111-F172 AromaticContact CE1-CD2 3.7Å; Y111-F172 HydrophobicContact CE1-CD2 3.7Å; Y111-F172 HydrophobicContact CE1-CE2 4.23Å; Y111-F172 HydrophobicContact CE2-CB 3.63Å; Y111-F172 AromaticContact CE2-CD2 3.66Å; Y111-F172 HydrophobicContact CE2-CD2 3.66Å; Y111-F172 HydrophobicContact CE2-CG 4.06Å; Y111-F172 AromaticContact CG-CD2 4Å; Y111-F172 HydrophobicContact CG-CD2 4Å; Y111-F172 HydrophobicContact CG-CE2 4.39Å; Y111-F172 AromaticContact CZ-CD2 3.59Å
112	F	89.6	Confident	89.8	Confident	1 Å²	1	30.6 Å²	30.6	0%	0.004	14%	0.144	C	C	.	.			trans	-124.9	138.2	-177	-69.2	-92.7	0	0	0	111.7	D31 G35 W36 V39 V108 N109 R116 A119	D31-F112 HydrophobicContact CB-CD1 4.35Å; D31-F112 VanDerWaalsContact OD1-CA 3.28Å; D31-F112 WeakPolarHBondContact OD1-CA 3.29Å; D31-F112 WeakPolarHBondContact OD1-CB 3.4Å; D31-F112 VanDerWaalsContact OD1-CD1 3.32Å; D31-F112 WeakPolarHBondContact OD1-CD1 3.39Å; G35-F112 VanDerWaalsContact C-CE2 3.48Å; G35-F112 WeakPolarHBondContact O-CE2 3.36Å; W36-F112 HydrophobicContact CD2-CE1 4.17Å; W36-F112 AromaticContact CD2-CZ 3.83Å; W36-F112 HydrophobicContact CD2-CZ 3.83Å; W36-F112 AromaticContact CE2-CE1 3.69Å; W36-F112 AromaticContact CE2-CZ 3.85Å; W36-F112 HydrophobicContact CE3-CZ 4.19Å; W36-F112 HydrophobicContact CG-CZ 4.15Å; W36-F112 HydrophobicContact CH2-CE1 4.28Å; W36-F112 AromaticContact CZ2-CE1 3.77Å; W36-F112 HydrophobicContact CZ2-CE1 3.77Å; W36-F112 HydrophobicContact CZ2-CZ 4.25Å; W36-F112 AromaticContact NE1-CE1 3.91Å; V39-F112 HydrophobicContact CG2-CD2 4.42Å; V39-F112 HydrophobicContact CG2-CE2 3.52Å; V39-F112 HydrophobicContact CG2-CZ 3.87Å; V108-F112 HydrophobicContact CG1-CD2 4.19Å; V108-F112 WeakPolarHBondContact O-CD2 3.29Å; V108-F112 PolarHBondContact O-N 2.87Å; N109-F112 VanDerWaalsContact O-O 3.1Å; F112-R116 HydrophobicContact CB-CB 4.44Å; F112-R116 PolarHBondContact O-NE 3.39Å; F112-R116 VanDerWaalsContact O-NE 3.16Å; F112-R116 PolarHBondContact O-NH2 2.84Å; F112-A119 HydrophobicContact CB-CB 4.13Å; F112-A119 HydrophobicContact CD1-CB 3.78Å; F112-A119 HydrophobicContact CD2-CB 3.56Å; F112-A119 HydrophobicContact CE1-CB 4.03Å; F112-A119 HydrophobicContact CE2-CB 3.82Å; F112-A119 HydrophobicContact CG-CB 3.54Å; F112-A119 HydrophobicContact CZ-CB 4.04Å
113	D	84.6	Confident	90.1	Very high	76 Å²	76	30.2 Å²	30.2	41%	0.406	14%	0.142	S	C	.	.	S	Bend	trans	-120.2	-62.7	176.7	-163.7	25.7	0	0	0	110.1	D31 Y115 R116	D31-D113 PolarHBondContact OD1-N 3.11Å; D113-Y115 PolarHBondContact O-N 3.1Å; D113-R116 IonicContact OD1-CZ 2.88Å; D113-R116 IonicContact OD1-NH1 2.96Å; D113-R116 IonicContact OD1-NH2 3.49Å; D113-R116 PolarHBondContact OD1-NH2 2.98Å
114	R	85.5	Confident	90.4	Very high	154 Å²	154	27.6 Å²	27.6	58%	0.581	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	-36.8	179.8	-173.2	176.1	-179.5	-178.5	0.4	112.9	D31 N591	D31-R114 PolarHBondContact OD1-N 2.8Å; D31-R114 WeakPolarHBondContact OD2-CB 3.11Å; D31-R114 PolarHBondContact OD2-N 3.45Å; R114-N591 PolarHBondContact O-ND2 3.38Å
115	Y	87.9	Confident	90.6	Very high	91 Å²	91	27.9 Å²	27.9	36%	0.357	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	21.8	-175.9	-55.4	-69.1	0	0	0	113.3	D31 D113 G117 L118 A119 N591	D31-Y115 HydrophobicContact CB-CD2 3.99Å; D31-Y115 HydrophobicContact CB-CE2 4.45Å; D31-Y115 PolarHBondContact OD1-N 3.44Å; D113-Y115 PolarHBondContact O-N 3.1Å; Y115-G117 PolarHBondContact O-N 3.4Å; Y115-L118 PolarHBondContact O-N 2.99Å; Y115-L118 VanDerWaalsContact O-N 3.13Å; Y115-A119 WeakPolarHBondContact O-CB 3.17Å; Y115-A119 PolarHBondContact O-N 3.48Å; Y115-N591 WeakPolarHBondContact CA-ND2 3.43Å
116	R	88.9	Confident	90.8	Very high	17 Å²	17	27.6 Å²	27.6	6%	0.064	13%	0.125	C	C	.	.	H	α-helix	trans	-52.2	-46.8	-173.4	-171.9	179	-66.6	124.4	5	113.7	N109 F112 D113 S120	N109-R116 PolarHBondContact O-NE 3.28Å; N109-R116 WeakPolarHBondContact OD1-CD 3.37Å; N109-R116 WeakPolarHBondContact OD1-CG 3.04Å; F112-R116 HydrophobicContact CB-CB 4.44Å; F112-R116 PolarHBondContact O-NE 3.39Å; F112-R116 VanDerWaalsContact O-NE 3.16Å; F112-R116 PolarHBondContact O-NH2 2.84Å; D113-R116 IonicContact OD1-CZ 2.88Å; D113-R116 IonicContact OD1-NH1 2.96Å; D113-R116 IonicContact OD1-NH2 3.49Å; D113-R116 PolarHBondContact OD1-NH2 2.98Å; R116-S120 VanDerWaalsContact O-CB 3.29Å; R116-S120 WeakPolarHBondContact O-CB 3.31Å; R116-S120 PolarHBondContact O-N 3.42Å; R116-S120 PolarHBondContact O-OG 3.47Å
117	G	88	Confident	90.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-69.9	-38	179.4	0	0	0	0	0	113.6	Y115 S120 G121 G587 N591 I646	Y115-G117 PolarHBondContact O-N 3.4Å; G117-S120 PolarHBondContact O-N 3.18Å; G117-G121 PolarHBondContact O-N 2.85Å; G117-G587 WeakPolarHBondContact O-CA 3.01Å; G117-N591 WeakPolarHBondContact CA-OD1 3.2Å; G117-N591 PolarHBondContact N-ND2 3.39Å; G117-N591 PolarHBondContact N-OD1 3.3Å; G117-I646 VanDerWaalsContact CA-CD1 3.48Å
118	L	90.5	Very high	90.8	Very high	46 Å²	46	26.1 Å²	26.1	24%	0.241	12%	0.115	C	C	.	.	H	α-helix	trans	-64.3	-45.5	173.4	-179.9	64.2	0	0	0	111.5	Y115 G121 L122 G587 I588	Y115-L118 PolarHBondContact O-N 2.99Å; Y115-L118 VanDerWaalsContact O-N 3.13Å; L118-G121 PolarHBondContact O-N 3.2Å; L118-L122 HydrophobicContact CD1-CD1 4.22Å; L118-L122 HydrophobicContact CD1-CG 4.37Å; L118-L122 HydrophobicContact CG-CD1 4.12Å; L118-L122 WeakPolarHBondContact O-CB 3.37Å; L118-L122 WeakPolarHBondContact O-CG 3.43Å; L118-L122 PolarHBondContact O-N 3.32Å; L118-G587 PolarHBondContact N-O 3.15Å; L118-I588 HydrophobicContact CD1-CG1 3.89Å
119	A	93	Very high	90.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63.6	-42	178.5	0	0	0	0	0	111.5	V39 V108 F112 Y115 L122 A123	V39-A119 HydrophobicContact CG2-CB 4Å; V108-A119 HydrophobicContact CG1-CB 3.79Å; F112-A119 HydrophobicContact CB-CB 4.13Å; F112-A119 HydrophobicContact CD1-CB 3.78Å; F112-A119 HydrophobicContact CD2-CB 3.56Å; F112-A119 HydrophobicContact CE1-CB 4.03Å; F112-A119 HydrophobicContact CE2-CB 3.82Å; F112-A119 HydrophobicContact CG-CB 3.54Å; F112-A119 HydrophobicContact CZ-CB 4.04Å; Y115-A119 WeakPolarHBondContact O-CB 3.17Å; Y115-A119 PolarHBondContact O-N 3.48Å; A119-L122 PolarHBondContact O-N 2.82Å; A119-A123 WeakPolarHBondContact O-CB 3.43Å; A119-A123 PolarHBondContact O-N 3.4Å
120	S	92	Very high	91.1	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.007	13%	0.125	C	C	.	.	H	α-helix	trans	-65.2	-43.7	175.1	-63.2	0	0	0	0	111.9	N109 R116 G117 A123 M124	N109-S120 PolarHBondContact OD1-OG 2.74Å; R116-S120 VanDerWaalsContact O-CB 3.29Å; R116-S120 WeakPolarHBondContact O-CB 3.31Å; R116-S120 PolarHBondContact O-N 3.42Å; R116-S120 PolarHBondContact O-OG 3.47Å; G117-S120 PolarHBondContact O-N 3.18Å; S120-A123 PolarHBondContact O-N 2.96Å; S120-M124 VanDerWaalsContact O-CB 3.3Å; S120-M124 WeakPolarHBondContact O-CB 3.38Å; S120-M124 VanDerWaalsContact O-CG 3.28Å; S120-M124 WeakPolarHBondContact O-CG 3.1Å; S120-M124 PolarHBondContact O-N 3.04Å
121	G	94.2	Very high	91.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-59.7	-46.1	175.5	0	0	0	0	0	112.4	G117 L118 S125 R583	G117-G121 PolarHBondContact O-N 2.85Å; L118-G121 PolarHBondContact O-N 3.2Å; G121-S125 WeakPolarHBondContact O-CB 3.29Å; G121-S125 PolarHBondContact O-N 3.45Å; G121-R583 VanDerWaalsContact CA-O 3.25Å; G121-R583 WeakPolarHBondContact CA-O 3.39Å
122	L	95.3	Very high	91.4	Very high	55 Å²	55	25.3 Å²	25.3	29%	0.288	12%	0.118	S	C	.	.	H	α-helix	trans	-65.4	-50.8	175.9	-73	171.4	0	0	0	111.6	W36 V39 F43 L118 A119 M124 S125	W36-L122 HydrophobicContact CH2-CD1 4.22Å; W36-L122 HydrophobicContact CZ3-CD1 3.74Å; V39-L122 HydrophobicContact CG1-CB 3.95Å; F43-L122 WeakPolarHBondContact CD2-O 3.41Å; L118-L122 HydrophobicContact CD1-CD1 4.22Å; L118-L122 HydrophobicContact CD1-CG 4.37Å; L118-L122 HydrophobicContact CG-CD1 4.12Å; L118-L122 WeakPolarHBondContact O-CB 3.37Å; L118-L122 WeakPolarHBondContact O-CG 3.43Å; L118-L122 PolarHBondContact O-N 3.32Å; A119-L122 PolarHBondContact O-N 2.82Å; L122-M124 VanDerWaalsContact C-N 3.29Å; L122-M124 PolarHBondContact O-N 3.15Å; L122-S125 WeakPolarHBondContact O-CB 3.49Å; L122-S125 PolarHBondContact O-N 3.5Å; L122-S125 VanDerWaalsContact O-N 3.12Å; L122-S125 PolarHBondContact O-OG 3.14Å
123	A	95	Very high	91.5	Very high	3 Å²	3	29.6 Å²	29.6	3%	0.025	14%	0.14	C	C	.	.	H	α-helix	trans	-57.6	-41.9	178.8	0	0	0	0	0	112	V39 F43 V108 A119 S120	V39-A123 HydrophobicContact CG1-CB 4.2Å; F43-A123 WeakPolarHBondContact CA-O 3.31Å; F43-A123 PolarHBondContact N-O 3.03Å; V108-A123 HydrophobicContact CG1-CB 4.43Å; V108-A123 HydrophobicContact CG2-CB 3.85Å; A119-A123 WeakPolarHBondContact O-CB 3.43Å; A119-A123 PolarHBondContact O-N 3.4Å; S120-A123 PolarHBondContact O-N 2.96Å
124	M	94.4	Very high	91.8	Very high	5 Å²	5	26.3 Å²	26.3	3%	0.025	12%	0.123	C	C	.	.	H	α-helix	trans	-80.7	-16.3	179.6	-65.2	-165.4	-163.1	0	0	113.7	I105 S120 L122 G126 A127 R583 I641 P642 P645	I105-M124 HydrophobicContact CB-CE 4.21Å; I105-M124 HydrophobicContact CD1-CE 3.79Å; I105-M124 HydrophobicContact CD1-SD 4.43Å; I105-M124 HydrophobicContact CG1-CE 3.83Å; I105-M124 HydrophobicContact CG2-CE 3.42Å; I105-M124 VanDerWaalsContact CG2-CE 3.42Å; S120-M124 VanDerWaalsContact O-CB 3.3Å; S120-M124 WeakPolarHBondContact O-CB 3.38Å; S120-M124 VanDerWaalsContact O-CG 3.28Å; S120-M124 WeakPolarHBondContact O-CG 3.1Å; S120-M124 PolarHBondContact O-N 3.04Å; L122-M124 VanDerWaalsContact C-N 3.29Å; L122-M124 PolarHBondContact O-N 3.15Å; M124-G126 PolarHBondContact O-N 3.19Å; M124-A127 VanDerWaalsContact O-CB 3.31Å; M124-A127 WeakPolarHBondContact O-CB 3.41Å; M124-A127 PolarHBondContact O-N 3.19Å; M124-R583 VanDerWaalsContact O-CD 3.22Å; M124-R583 WeakPolarHBondContact O-CD 3.37Å; M124-R583 PolarHBondContact O-NH1 3.45Å; M124-I641 HydrophobicContact SD-CG2 3.74Å; M124-P642 VanDerWaalsContact SD-CA 3.51Å; M124-P642 HydrophobicContact SD-CB 4.06Å; M124-P645 HydrophobicContact CE-CG 3.58Å
125	S	95.6	Very high	92	Very high	6 Å²	6	19 Å²	19	4%	0.042	10%	0.096	C	C	.	.	H	α-helix	trans	-62.6	-25.5	179.2	69.6	0	0	0	0	113.4	F43 G121 L122 A127 G128 V129	F43-S125 WeakPolarHBondContact CD2-OG 3.45Å; F43-S125 WeakPolarHBondContact CE2-OG 3.44Å; G121-S125 WeakPolarHBondContact O-CB 3.29Å; G121-S125 PolarHBondContact O-N 3.45Å; L122-S125 WeakPolarHBondContact O-CB 3.49Å; L122-S125 PolarHBondContact O-N 3.5Å; L122-S125 VanDerWaalsContact O-N 3.12Å; L122-S125 PolarHBondContact O-OG 3.14Å; S125-A127 PolarHBondContact O-N 3.33Å; S125-A127 VanDerWaalsContact O-N 3.12Å; S125-G128 PolarHBondContact O-N 3.49Å; S125-V129 PolarHBondContact O-N 3.44Å
126	G	94.1	Very high	92.1	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-54.7	-34.4	177.6	0	0	0	0	0	112.8	F43 L47 M124 G128 V129 G130	F43-G126 VanDerWaalsContact CE2-N 3.28Å; L47-G126 VanDerWaalsContact CA-C 3.44Å; L47-G126 WeakPolarHBondContact CA-O 3.22Å; L47-G126 VanDerWaalsContact CB-O 3.26Å; L47-G126 WeakPolarHBondContact CB-O 3.43Å; M124-G126 PolarHBondContact O-N 3.19Å; G126-G128 PolarHBondContact O-N 3.31Å; G126-V129 CarbonylContact O-C 3.58Å; G126-V129 WeakPolarHBondContact O-CA 3.44Å; G126-V129 WeakPolarHBondContact O-CB 3.35Å; G126-V129 PolarHBondContact O-N 2.75Å; G126-G130 PolarHBondContact O-N 2.89Å
127	A	91.8	Very high	92.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-57.1	-45.1	173.4	0	0	0	0	0	115.5	Q46 D50 M124 S125 V129 G130 T131 R583	Q46-A127 HydrophobicContact CB-CB 4.32Å; Q46-A127 WeakPolarHBondContact O-CA 3.45Å; D50-A127 HydrophobicContact CB-CB 3.35Å; D50-A127 WeakPolarHBondContact OD2-CB 3.44Å; M124-A127 VanDerWaalsContact O-CB 3.31Å; M124-A127 WeakPolarHBondContact O-CB 3.41Å; M124-A127 PolarHBondContact O-N 3.19Å; S125-A127 PolarHBondContact O-N 3.33Å; S125-A127 VanDerWaalsContact O-N 3.12Å; A127-V129 VanDerWaalsContact C-N 3.25Å; A127-V129 PolarHBondContact O-N 3.24Å; A127-G130 CarbonylContact O-C 3.55Å; A127-G130 WeakPolarHBondContact O-CA 3.39Å; A127-G130 PolarHBondContact O-N 3.15Å; A127-T131 WeakPolarHBondContact O-CG2 3.45Å; A127-T131 PolarHBondContact O-N 3.03Å; A127-R583 VanDerWaalsContact CB-CZ 3.43Å
128	G	89.5	Confident	92.4	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-67.8	-32.2	178.5	0	0	0	0	0	111.3	S125 G126 G130 T131 L132 T580	S125-G128 PolarHBondContact O-N 3.49Å; G126-G128 PolarHBondContact O-N 3.31Å; G128-G130 VanDerWaalsContact C-N 3.34Å; G128-T131 PolarHBondContact O-OG1 3.4Å; G128-T131 VanDerWaalsContact O-OG1 3.11Å; G128-L132 WeakPolarHBondContact O-CB 3.42Å; G128-L132 PolarHBondContact O-N 2.98Å; G128-T580 WeakPolarHBondContact CA-OG1 3.42Å; G128-T580 PolarHBondContact O-OG1 2.89Å
129	V	94.1	Very high	92.3	Very high	37 Å²	37	19.1 Å²	19.1	22%	0.224	10%	0.103	C	C	.	.	H	α-helix	trans	-67	-37.3	169.1	-178.1	0	0	0	0	111	F43 L47 S125 G126 A127 L132 L133 T580	F43-V129 HydrophobicContact CE2-CG2 4.42Å; F43-V129 HydrophobicContact CZ-CB 4.33Å; F43-V129 HydrophobicContact CZ-CG2 3.99Å; L47-V129 HydrophobicContact CD1-CB 4.28Å; L47-V129 HydrophobicContact CD1-CG1 3.92Å; S125-V129 PolarHBondContact O-N 3.44Å; G126-V129 CarbonylContact O-C 3.58Å; G126-V129 WeakPolarHBondContact O-CA 3.44Å; G126-V129 WeakPolarHBondContact O-CB 3.35Å; G126-V129 PolarHBondContact O-N 2.75Å; A127-V129 VanDerWaalsContact C-N 3.25Å; A127-V129 PolarHBondContact O-N 3.24Å; V129-L132 WeakPolarHBondContact O-CB 2.99Å; V129-L132 PolarHBondContact O-N 2.92Å; V129-L133 HydrophobicContact CG1-CD1 3.74Å; V129-L133 HydrophobicContact CG1-CG 4.15Å; V129-L133 WeakPolarHBondContact O-CB 3.49Å; V129-L133 VanDerWaalsContact O-CG 3.31Å; V129-L133 WeakPolarHBondContact O-CG 3.42Å; V129-L133 PolarHBondContact O-N 3.33Å; V129-T580 HydrophobicContact CG2-CG2 3.99Å; V129-T580 PolarHBondContact N-OG1 3.48Å
130	G	93.3	Very high	92.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-60.3	-53.6	172.8	0	0	0	0	0	111.8	L47 G51 G126 A127 G128 L132 L133 V134	L47-G130 VanDerWaalsContact O-CA 3.27Å; L47-G130 WeakPolarHBondContact O-CA 3.49Å; G51-G130 WeakPolarHBondContact CA-O 3.27Å; G126-G130 PolarHBondContact O-N 2.89Å; A127-G130 CarbonylContact O-C 3.55Å; A127-G130 WeakPolarHBondContact O-CA 3.39Å; A127-G130 PolarHBondContact O-N 3.15Å; G128-G130 VanDerWaalsContact C-N 3.34Å; G130-L132 PolarHBondContact O-N 3.19Å; G130-L133 PolarHBondContact O-N 3.15Å; G130-V134 WeakPolarHBondContact O-CG2 3.37Å; G130-V134 PolarHBondContact O-N 3.49Å
131	T	91.3	Very high	92.3	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.006	14%	0.136	C	C	.	.	H	α-helix	trans	-66	-18.6	179.1	64.6	0	0	0	0	112.5	D50 F53 A127 G128 P135 F551 S576	D50-T131 HydrophobicContact CB-CG2 4.22Å; D50-T131 VanDerWaalsContact O-CG2 3.3Å; D50-T131 WeakPolarHBondContact O-CG2 3.21Å; F53-T131 HydrophobicContact CD2-CG2 4.49Å; F53-T131 HydrophobicContact CE2-CG2 3.87Å; F53-T131 HydrophobicContact CZ-CG2 4.46Å; A127-T131 WeakPolarHBondContact O-CG2 3.45Å; A127-T131 PolarHBondContact O-N 3.03Å; G128-T131 PolarHBondContact O-OG1 3.4Å; G128-T131 VanDerWaalsContact O-OG1 3.11Å; T131-P135 WeakPolarHBondContact O-CD 3.39Å; T131-P135 WeakPolarHBondContact O-CG 3.33Å; T131-F551 HydrophobicContact CG2-CD1 4.38Å; T131-F551 HydrophobicContact CG2-CE1 3.97Å; T131-S576 WeakPolarHBondContact CB-OG 3.37Å; T131-S576 PolarHBondContact O-OG 3.2Å; T131-S576 WeakPolarHBondContact OG1-CB 3.16Å; T131-S576 PolarHBondContact OG1-OG 2.77Å
132	L	90.6	Very high	92.3	Very high	39 Å²	39	28.6 Å²	28.6	20%	0.204	14%	0.141	C	C	.	.	H	α-helix	trans	-76.6	-53	169.4	179.6	87.5	0	0	0	111.8	G128 V129 G130 V136 M573 I577	G128-L132 WeakPolarHBondContact O-CB 3.42Å; G128-L132 PolarHBondContact O-N 2.98Å; V129-L132 WeakPolarHBondContact O-CB 2.99Å; V129-L132 PolarHBondContact O-N 2.92Å; G130-L132 PolarHBondContact O-N 3.19Å; L132-V136 WeakPolarHBondContact O-CG2 3.48Å; L132-M573 HydrophobicContact CD1-CB 4.05Å; L132-M573 HydrophobicContact CD1-CE 4.46Å; L132-M573 HydrophobicContact CD1-CG 4.42Å; L132-I577 HydrophobicContact CD1-CD1 4.24Å; L132-I577 HydrophobicContact CD1-CG1 3.64Å
133	L	92.2	Very high	92.2	Very high	91 Å²	91	31 Å²	31	48%	0.476	16%	0.159	S	C	.	.	H	α-helix	trans	-78.2	-37.3	-168.1	-68.8	178.5	0	0	0	113.2	V129 G130 V136 F137	V129-L133 HydrophobicContact CG1-CD1 3.74Å; V129-L133 HydrophobicContact CG1-CG 4.15Å; V129-L133 WeakPolarHBondContact O-CB 3.49Å; V129-L133 VanDerWaalsContact O-CG 3.31Å; V129-L133 WeakPolarHBondContact O-CG 3.42Å; V129-L133 PolarHBondContact O-N 3.33Å; G130-L133 PolarHBondContact O-N 3.15Å; L133-V136 PolarHBondContact O-N 3.46Å; L133-F137 WeakPolarHBondContact O-CB 3.42Å; L133-F137 PolarHBondContact O-N 2.85Å
134	V	91.3	Very high	92.1	Very high	6 Å²	6	36.1 Å²	36.1	4%	0.036	19%	0.186	C	C	.	.	H	α-helix	trans	-69.7	-42.5	-173.1	-178.3	0	0	0	0	113	G51 G130 V136 F137 Y138 Y154	G51-V134 VanDerWaalsContact O-CB 3.22Å; G51-V134 WeakPolarHBondContact O-CB 3.48Å; G51-V134 VanDerWaalsContact O-CG1 3.28Å; G51-V134 WeakPolarHBondContact O-CG1 3.26Å; G130-V134 WeakPolarHBondContact O-CG2 3.37Å; G130-V134 PolarHBondContact O-N 3.49Å; V134-V136 VanDerWaalsContact C-N 3.31Å; V134-V136 PolarHBondContact O-N 3Å; V134-F137 WeakPolarHBondContact O-CB 3.45Å; V134-F137 PolarHBondContact O-N 3.24Å; V134-Y138 HydrophobicContact CG1-CD2 3.82Å; V134-Y138 HydrophobicContact CG1-CE2 3.51Å; V134-Y138 PolarHBondContact O-N 3.32Å; V134-Y154 HydrophobicContact CB-CE2 4.35Å; V134-Y154 HydrophobicContact CG1-CD2 4.27Å; V134-Y154 HydrophobicContact CG1-CE2 3.82Å; V134-Y154 HydrophobicContact CG2-CE2 3.54Å
135	P	88.8	Confident	92.1	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.013	21%	0.21	C	C	.	.	H	α-helix	trans	-58.6	-41.8	171.9	-25.3	34.7	0	0	0	112.9	G54 V58 T131 Y138 N139	G54-P135 WeakPolarHBondContact O-CG 3.44Å; V58-P135 HydrophobicContact CG2-CB 3.94Å; T131-P135 WeakPolarHBondContact O-CD 3.39Å; T131-P135 WeakPolarHBondContact O-CG 3.33Å; P135-Y138 PolarHBondContact O-N 3.3Å; P135-N139 WeakPolarHBondContact O-CB 3.37Å; P135-N139 PolarHBondContact O-N 2.94Å
136	V	89.2	Confident	91.9	Very high	60 Å²	60	43 Å²	43	36%	0.364	22%	0.224	S	C	.	.	H	α-helix	trans	-62.7	-45.7	177.5	174.5	0	0	0	0	110.5	L132 L133 V134 Y138 N139 W140 M573	L132-V136 WeakPolarHBondContact O-CG2 3.48Å; L133-V136 PolarHBondContact O-N 3.46Å; V134-V136 VanDerWaalsContact C-N 3.31Å; V134-V136 PolarHBondContact O-N 3Å; V136-Y138 VanDerWaalsContact C-N 3.34Å; V136-Y138 PolarHBondContact O-N 2.87Å; V136-N139 PolarHBondContact O-N 3.24Å; V136-W140 WeakPolarHBondContact O-CB 3.38Å; V136-W140 PolarHBondContact O-N 3.29Å; V136-M573 HydrophobicContact CG2-CE 3.78Å; V136-M573 HydrophobicContact CG2-CG 4.02Å; V136-M573 HydrophobicContact CG2-SD 3.49Å; V136-M573 WeakPolarHBondContact CG2-SD 3.39Å
137	F	91.3	Very high	91.9	Very high	53 Å²	53	45.3 Å²	45.3	23%	0.232	23%	0.233	C	C	.	.	H	α-helix	trans	-56.9	-47.4	174.9	170.2	-98.9	0	0	0	111.4	L133 V134 W140 I141 L153 Y154	L133-F137 WeakPolarHBondContact O-CB 3.42Å; L133-F137 PolarHBondContact O-N 2.85Å; V134-F137 WeakPolarHBondContact O-CB 3.45Å; V134-F137 PolarHBondContact O-N 3.24Å; F137-W140 HydrophobicContact CD2-CE3 4.26Å; F137-W140 HydrophobicContact CD2-CZ3 4.44Å; F137-W140 HydrophobicContact CE2-CZ3 4.44Å; F137-W140 PolarHBondContact O-N 3.19Å; F137-I141 HydrophobicContact CD1-CG2 4.11Å; F137-I141 HydrophobicContact CE1-CG2 3.75Å; F137-I141 HydrophobicContact CE2-CD1 3.97Å; F137-I141 HydrophobicContact CE2-CG2 4.19Å; F137-I141 HydrophobicContact CG-CG2 4.47Å; F137-I141 HydrophobicContact CZ-CB 4.48Å; F137-I141 HydrophobicContact CZ-CD1 3.74Å; F137-I141 HydrophobicContact CZ-CG2 3.81Å; F137-I141 WeakPolarHBondContact O-CG2 3.21Å; F137-I141 PolarHBondContact O-N 3.44Å; F137-L153 HydrophobicContact CZ-CD2 4.28Å; F137-Y154 HydrophobicContact CD1-CD2 4.35Å; F137-Y154 HydrophobicContact CE1-CD2 4.3Å
138	Y	91.8	Very high	92	Very high	1 Å²	1	51.7 Å²	51.7	0%	0.004	26%	0.257	C	S	.	.	H	α-helix	trans	-66.1	-43.5	178.3	-76.9	-35.4	0	0	0	113.1	G55 L59 V134 P135 V136 W140 I141 I142 Y154	G55-Y138 WeakPolarHBondContact O-CD2 3.48Å; L59-Y138 HydrophobicContact CD1-CD2 4.12Å; L59-Y138 HydrophobicContact CD1-CE2 3.55Å; L59-Y138 HydrophobicContact CD2-CD1 4.49Å; L59-Y138 HydrophobicContact CD2-CE1 4.5Å; L59-Y138 HydrophobicContact CG-CD2 3.99Å; L59-Y138 HydrophobicContact CG-CE2 3.94Å; L59-Y138 HydrophobicContact CG-CG 4.42Å; V134-Y138 HydrophobicContact CG1-CD2 3.82Å; V134-Y138 HydrophobicContact CG1-CE2 3.51Å; V134-Y138 PolarHBondContact O-N 3.32Å; P135-Y138 PolarHBondContact O-N 3.3Å; V136-Y138 VanDerWaalsContact C-N 3.34Å; V136-Y138 PolarHBondContact O-N 2.87Å; Y138-W140 PolarHBondContact O-N 3.27Å; Y138-I141 HydrophobicContact CD1-CG2 4.46Å; Y138-I141 PolarHBondContact O-N 3.15Å; Y138-I142 HydrophobicContact CD1-CD1 4.26Å; Y138-I142 HydrophobicContact CD1-CG1 4.4Å; Y138-I142 HydrophobicContact CG-CD1 4.16Å; Y138-I142 VanDerWaalsContact O-CB 3.23Å; Y138-I142 WeakPolarHBondContact O-CB 3.17Å; Y138-I142 WeakPolarHBondContact O-CG1 3.37Å; Y138-I142 PolarHBondContact O-N 3.45Å; Y138-Y154 HydrophobicContact CE1-CG 4.47Å; Y138-Y154 WeakPolarHBondContact OH-CD1 3.3Å
139	N	90	Very high	92.1	Very high	41 Å²	41	54.5 Å²	54.5	22%	0.219	28%	0.277	C	S	.	.	H	α-helix	trans	-60.8	-32.2	177.2	-158.9	57.1	0	0	0	111.3	V58 P135 V136 P143 Q565 D566	V58-N139 HydrophobicContact CG1-CB 4.42Å; P135-N139 WeakPolarHBondContact O-CB 3.37Å; P135-N139 PolarHBondContact O-N 2.94Å; V136-N139 PolarHBondContact O-N 3.24Å; N139-P143 WeakPolarHBondContact O-CD 3.46Å; N139-P143 WeakPolarHBondContact O-CG 3.32Å; N139-Q565 PolarHBondContact OD1-NE2 3.41Å; N139-D566 PolarHBondContact ND2-OD1 3.19Å
140	W	89.5	Confident	92.2	Very high	172 Å²	172	52.8 Å²	52.8	65%	0.652	27%	0.266	S	S	*	.	H	α-helix	trans	-76.3	-46.8	176.4	173.5	57.6	0	0	0	113.8	V136 F137 Y138 I144	V136-W140 WeakPolarHBondContact O-CB 3.38Å; V136-W140 PolarHBondContact O-N 3.29Å; F137-W140 HydrophobicContact CD2-CE3 4.26Å; F137-W140 HydrophobicContact CD2-CZ3 4.44Å; F137-W140 HydrophobicContact CE2-CZ3 4.44Å; F137-W140 PolarHBondContact O-N 3.19Å; Y138-W140 PolarHBondContact O-N 3.27Å; W140-I144 WeakPolarHBondContact O-CD1 3.04Å
141	I	95.1	Very high	92.1	Very high	8 Å²	8	56.2 Å²	56.2	4%	0.041	28%	0.284	C	S	.	.	H	α-helix	trans	-92	-28.1	-168.4	-164.7	170.5	0	0	0	114.5	F137 Y138 I144 K145 S150 L153	F137-I141 HydrophobicContact CD1-CG2 4.11Å; F137-I141 HydrophobicContact CE1-CG2 3.75Å; F137-I141 HydrophobicContact CE2-CD1 3.97Å; F137-I141 HydrophobicContact CE2-CG2 4.19Å; F137-I141 HydrophobicContact CG-CG2 4.47Å; F137-I141 HydrophobicContact CZ-CB 4.48Å; F137-I141 HydrophobicContact CZ-CD1 3.74Å; F137-I141 HydrophobicContact CZ-CG2 3.81Å; F137-I141 WeakPolarHBondContact O-CG2 3.21Å; F137-I141 PolarHBondContact O-N 3.44Å; Y138-I141 HydrophobicContact CD1-CG2 4.46Å; Y138-I141 PolarHBondContact O-N 3.15Å; I141-I144 PolarHBondContact O-N 3.28Å; I141-K145 HydrophobicContact CD1-CD 4.32Å; I141-K145 HydrophobicContact CG1-CB 4.42Å; I141-K145 HydrophobicContact CG1-CD 4.34Å; I141-K145 HydrophobicContact CG1-CG 4.31Å; I141-K145 PolarHBondContact O-N 3.21Å; I141-S150 WeakPolarHBondContact CG2-OG 3.36Å; I141-L153 HydrophobicContact CD1-CD2 3.46Å; I141-L153 VanDerWaalsContact CD1-CD2 3.46Å
142	I	93.8	Very high	92.3	Very high	20 Å²	20	61.6 Å²	61.6	10%	0.103	31%	0.312	C	S	.	.	H	α-helix	trans	-59.7	-45	-180	-68.9	175.3	0	0	0	111.7	V58 L59 Y138 I144 G146 W147	V58-I142 HydrophobicContact CG1-CD1 4.17Å; L59-I142 HydrophobicContact CD2-CD1 3.7Å; L59-I142 HydrophobicContact CG-CD1 4.47Å; Y138-I142 HydrophobicContact CD1-CD1 4.26Å; Y138-I142 HydrophobicContact CD1-CG1 4.4Å; Y138-I142 HydrophobicContact CG-CD1 4.16Å; Y138-I142 VanDerWaalsContact O-CB 3.23Å; Y138-I142 WeakPolarHBondContact O-CB 3.17Å; Y138-I142 WeakPolarHBondContact O-CG1 3.37Å; Y138-I142 PolarHBondContact O-N 3.45Å; I142-I144 PolarHBondContact O-N 3.06Å; I142-G146 WeakPolarHBondContact O-CA 3.28Å; I142-G146 PolarHBondContact O-N 2.98Å; I142-W147 HydrophobicContact CD1-CB 4.38Å; I142-W147 HydrophobicContact CG1-CB 4.4Å; I142-W147 HydrophobicContact CG2-CB 4.21Å
143	P	92.3	Very high	92.4	Very high	105 Å²	105	63.5 Å²	63.5	68%	0.682	32%	0.322	S	S	*	.	H	α-helix	trans	-60.8	-25.9	175.8	-25	35.9	0	0	0	113.8	N139	N139-P143 WeakPolarHBondContact O-CD 3.46Å; N139-P143 WeakPolarHBondContact O-CG 3.32Å
144	I	94.1	Very high	92.4	Very high	112 Å²	112	60.4 Å²	60.4	57%	0.574	30%	0.304	S	S	*	.	H	α-helix	trans	-88.4	-47.4	-175.8	-54.7	172.1	0	0	0	111.6	W140 I141 I142	W140-I144 WeakPolarHBondContact O-CD1 3.04Å; I141-I144 PolarHBondContact O-N 3.28Å; I142-I144 PolarHBondContact O-N 3.06Å
145	K	93.5	Very high	92.5	Very high	122 Å²	122	62.4 Å²	62.4	53%	0.53	32%	0.319	S	S	.	.	H	α-helix	trans	-114.8	-3.4	-170.8	-65.7	-163.8	173.1	-173	0	114.6	I141 S149	I141-K145 HydrophobicContact CD1-CD 4.32Å; I141-K145 HydrophobicContact CG1-CB 4.42Å; I141-K145 HydrophobicContact CG1-CD 4.34Å; I141-K145 HydrophobicContact CG1-CG 4.31Å; I141-K145 PolarHBondContact O-N 3.21Å; K145-S149 VanDerWaalsContact O-CB 3.26Å; K145-S149 WeakPolarHBondContact O-CB 3.48Å; K145-S149 PolarHBondContact O-OG 2.99Å
146	G	92.9	Very high	92.7	Very high	34 Å²	34	68.1 Å²	68.1	35%	0.351	35%	0.348	S	S	.	.	H	α-helix	trans	74.6	161.7	-168.7	0	0	0	0	0	112.9	I142 R148 S150	I142-G146 WeakPolarHBondContact O-CA 3.28Å; I142-G146 PolarHBondContact O-N 2.98Å; G146-R148 PolarHBondContact O-N 3.4Å; G146-S150 WeakPolarHBondContact O-CB 3.16Å; G146-S150 PolarHBondContact O-N 3.19Å; G146-S150 VanDerWaalsContact O-N 3.16Å; G146-S150 PolarHBondContact O-OG 3.22Å
147	W	92.6	Very high	92.9	Very high	47 Å²	47	66.8 Å²	66.8	18%	0.178	35%	0.347	C	S	.	.	H	α-helix	trans	-67.2	-33	-174	63.4	-97.9	0	0	0	113.8	L59 L63 D66 F69 I142 S150 L151	L59-W147 HydrophobicContact CD2-CB 4.19Å; L63-W147 HydrophobicContact CD2-CD2 4.06Å; L63-W147 HydrophobicContact CD2-CE3 4.16Å; L63-W147 HydrophobicContact CD2-CH2 3.88Å; L63-W147 HydrophobicContact CD2-CZ2 3.74Å; L63-W147 HydrophobicContact CD2-CZ3 4.08Å; D66-W147 PolarHBondContact OD2-NE1 3.46Å; F69-W147 HydrophobicContact CE2-CH2 4.43Å; F69-W147 AromaticContact CE2-CZ2 3.81Å; F69-W147 HydrophobicContact CE2-CZ2 3.81Å; F69-W147 HydrophobicContact CZ-CH2 4.48Å; F69-W147 HydrophobicContact CZ-CZ2 4.25Å; I142-W147 HydrophobicContact CD1-CB 4.38Å; I142-W147 HydrophobicContact CG1-CB 4.4Å; I142-W147 HydrophobicContact CG2-CB 4.21Å; W147-S150 PolarHBondContact O-N 2.87Å; W147-L151 WeakPolarHBondContact O-CB 3.29Å; W147-L151 PolarHBondContact O-N 3.08Å
148	R	94	Very high	92.9	Very high	135 Å²	135	64.5 Å²	64.5	51%	0.509	34%	0.338	S	S	.	.	H	α-helix	trans	-63	-52.6	178.8	-69.5	-178.2	172.9	82.6	-0.6	112.1	D66 G146 S150 L151 L152	D66-R148 IonicContact OD2-NH1 3.89Å; G146-R148 PolarHBondContact O-N 3.4Å; R148-S150 VanDerWaalsContact C-N 3.28Å; R148-S150 PolarHBondContact O-N 3.5Å; R148-L151 PolarHBondContact O-N 2.89Å; R148-L152 PolarHBondContact O-N 3.12Å; R148-L152 VanDerWaalsContact O-N 3.11Å
149	S	93.4	Very high	92.9	Very high	59 Å²	59	67.4 Å²	67.4	41%	0.413	36%	0.358	S	S	.	.	H	α-helix	trans	-64	-36.4	178.1	-50.5	0	0	0	0	111.9	K145 L152 L153	K145-S149 VanDerWaalsContact O-CB 3.26Å; K145-S149 WeakPolarHBondContact O-CB 3.48Å; K145-S149 PolarHBondContact O-OG 2.99Å; S149-L152 PolarHBondContact O-N 3.32Å; S149-L153 WeakPolarHBondContact O-CB 3.23Å; S149-L153 PolarHBondContact O-N 3.23Å
150	S	94.4	Very high	93	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-63.4	-43.4	177	-59.4	0	0	0	0	111.8	I141 G146 W147 R148 Y154	I141-S150 WeakPolarHBondContact CG2-OG 3.36Å; G146-S150 WeakPolarHBondContact O-CB 3.16Å; G146-S150 PolarHBondContact O-N 3.19Å; G146-S150 VanDerWaalsContact O-N 3.16Å; G146-S150 PolarHBondContact O-OG 3.22Å; W147-S150 PolarHBondContact O-N 2.87Å; R148-S150 VanDerWaalsContact C-N 3.28Å; R148-S150 PolarHBondContact O-N 3.5Å; S150-Y154 WeakPolarHBondContact O-CB 3.13Å; S150-Y154 PolarHBondContact O-N 3.46Å
151	L	92.4	Very high	93.2	Very high	72 Å²	72	66.4 Å²	66.4	38%	0.377	37%	0.365	S	S	.	.	H	α-helix	trans	-64.2	-45.9	176.7	-173.1	67.3	0	0	0	111.8	L59 W147 R148 Y154 S155	L59-L151 HydrophobicContact CD1-CD1 4.32Å; W147-L151 WeakPolarHBondContact O-CB 3.29Å; W147-L151 PolarHBondContact O-N 3.08Å; R148-L151 PolarHBondContact O-N 2.89Å; L151-Y154 PolarHBondContact O-N 3.09Å; L151-S155 WeakPolarHBondContact O-CB 3.46Å; L151-S155 PolarHBondContact O-N 3.37Å; L151-S155 PolarHBondContact O-OG 3.37Å
152	L	94.2	Very high	93	Very high	114 Å²	114	66.5 Å²	66.5	60%	0.597	37%	0.366	S	S	*	.	H	α-helix	trans	-59.7	-48.7	176.7	-74.4	170.2	0	0	0	111.6	R148 S149 Y154 S155 L156	R148-L152 PolarHBondContact O-N 3.12Å; R148-L152 VanDerWaalsContact O-N 3.11Å; S149-L152 PolarHBondContact O-N 3.32Å; L152-Y154 VanDerWaalsContact C-N 3.33Å; L152-Y154 PolarHBondContact O-N 2.95Å; L152-S155 PolarHBondContact O-N 3.17Å; L152-S155 PolarHBondContact O-OG 3.49Å; L152-L156 WeakPolarHBondContact O-CG 3.31Å; L152-L156 PolarHBondContact O-N 2.98Å
153	L	93.4	Very high	92.9	Very high	80 Å²	80	68 Å²	68	42%	0.419	38%	0.382	S	S	.	.	H	α-helix	trans	-61.5	-42.7	180	-173.8	64.9	0	0	0	112	F137 I141 S149 L156 G157	F137-L153 HydrophobicContact CZ-CD2 4.28Å; I141-L153 HydrophobicContact CD1-CD2 3.46Å; I141-L153 VanDerWaalsContact CD1-CD2 3.46Å; S149-L153 WeakPolarHBondContact O-CB 3.23Å; S149-L153 PolarHBondContact O-N 3.23Å; L153-L156 PolarHBondContact O-N 3.42Å; L153-G157 PolarHBondContact O-N 2.96Å
154	Y	93.2	Very high	92.9	Very high	25 Å²	25	67.8 Å²	67.8	10%	0.098	37%	0.374	C	S	.	.	H	α-helix	trans	-60.1	-49	175.1	179	-100.3	0	0	0	111.5	I48 T52 V134 F137 Y138 S150 L151 L152 L156 G157 A158	I48-Y154 PolarHBondContact O-OH 3Å; T52-Y154 HydrophobicContact CG2-CE1 3.93Å; T52-Y154 PolarHBondContact N-OH 3.24Å; T52-Y154 WeakPolarHBondContact OG1-CE1 3.47Å; T52-Y154 PolarHBondContact OG1-OH 3.46Å; T52-Y154 VanDerWaalsContact OG1-OH 3.05Å; V134-Y154 HydrophobicContact CB-CE2 4.35Å; V134-Y154 HydrophobicContact CG1-CD2 4.27Å; V134-Y154 HydrophobicContact CG1-CE2 3.82Å; V134-Y154 HydrophobicContact CG2-CE2 3.54Å; F137-Y154 HydrophobicContact CD1-CD2 4.35Å; F137-Y154 HydrophobicContact CE1-CD2 4.3Å; Y138-Y154 HydrophobicContact CE1-CG 4.47Å; Y138-Y154 WeakPolarHBondContact OH-CD1 3.3Å; S150-Y154 WeakPolarHBondContact O-CB 3.13Å; S150-Y154 PolarHBondContact O-N 3.46Å; L151-Y154 PolarHBondContact O-N 3.09Å; L152-Y154 VanDerWaalsContact C-N 3.33Å; L152-Y154 PolarHBondContact O-N 2.95Å; Y154-L156 VanDerWaalsContact C-N 3.32Å; Y154-L156 PolarHBondContact O-N 3.21Å; Y154-G157 PolarHBondContact O-N 3.24Å; Y154-A158 HydrophobicContact CE1-CB 4.21Å; Y154-A158 WeakPolarHBondContact O-CB 3.41Å; Y154-A158 PolarHBondContact O-N 3.06Å
155	S	92.2	Very high	92.7	Very high	48 Å²	48	62.7 Å²	62.7	34%	0.336	35%	0.348	S	S	.	.	H	α-helix	trans	-61.2	-37.2	-178.5	67.7	0	0	0	0	113.4	L151 L152 S159	L151-S155 WeakPolarHBondContact O-CB 3.46Å; L151-S155 PolarHBondContact O-N 3.37Å; L151-S155 PolarHBondContact O-OG 3.37Å; L152-S155 PolarHBondContact O-N 3.17Å; L152-S155 PolarHBondContact O-OG 3.49Å; S155-S159 VanDerWaalsContact O-CB 3.28Å; S155-S159 WeakPolarHBondContact O-CB 3.01Å; S155-S159 PolarHBondContact O-N 3.48Å; S155-S159 PolarHBondContact O-OG 2.68Å
156	L	93.5	Very high	92.5	Very high	122 Å²	122	58.6 Å²	58.6	64%	0.639	34%	0.335	S	S	*	.	H	α-helix	trans	-66.2	-47.4	176.5	-73.5	170.9	0	0	0	111.2	L152 L153 Y154 L160	L152-L156 WeakPolarHBondContact O-CG 3.31Å; L152-L156 PolarHBondContact O-N 2.98Å; L153-L156 PolarHBondContact O-N 3.42Å; Y154-L156 VanDerWaalsContact C-N 3.32Å; Y154-L156 PolarHBondContact O-N 3.21Å; L156-L160 WeakPolarHBondContact O-CB 3.18Å; L156-L160 PolarHBondContact O-N 3Å; L156-L160 VanDerWaalsContact O-N 3.11Å
157	G	93	Very high	92.4	Very high	32 Å²	32	64 Å²	64	33%	0.33	36%	0.355	S	S	.	.	H	α-helix	trans	-64.1	-45	177.1	0	0	0	0	0	112.4	L153 Y154 L160 L161	L153-G157 PolarHBondContact O-N 2.96Å; Y154-G157 PolarHBondContact O-N 3.24Å; G157-L160 PolarHBondContact O-N 2.97Å; G157-L161 WeakPolarHBondContact O-CB 3.46Å; G157-L161 WeakPolarHBondContact O-CG 3.34Å; G157-L161 PolarHBondContact O-N 3.21Å
158	A	92.2	Very high	92.1	Very high	5 Å²	5	63.3 Å²	63.3	4%	0.041	36%	0.356	C	S	.	.	H	α-helix	trans	-56.7	-51.7	175.7	0	0	0	0	0	111.6	I48 Y154 L160 L161 T162	I48-A158 HydrophobicContact CD1-CB 4.33Å; I48-A158 HydrophobicContact CG2-CB 3.45Å; I48-A158 VanDerWaalsContact CG2-CB 3.45Å; Y154-A158 HydrophobicContact CE1-CB 4.21Å; Y154-A158 WeakPolarHBondContact O-CB 3.41Å; Y154-A158 PolarHBondContact O-N 3.06Å; A158-L160 PolarHBondContact O-N 3.09Å; A158-L161 PolarHBondContact O-N 3.4Å; A158-T162 WeakPolarHBondContact O-CG2 3.43Å; A158-T162 PolarHBondContact O-N 3.17Å; A158-T162 PolarHBondContact O-OG1 3.26Å
159	S	90.5	Very high	91.7	Very high	63 Å²	63	59 Å²	59	44%	0.441	34%	0.343	S	S	.	.	H	α-helix	trans	-60.9	-44	-178.8	-58.7	0	0	0	0	111.8	S155 T162 A163	S155-S159 VanDerWaalsContact O-CB 3.28Å; S155-S159 WeakPolarHBondContact O-CB 3.01Å; S155-S159 PolarHBondContact O-N 3.48Å; S155-S159 PolarHBondContact O-OG 2.68Å; S159-T162 WeakPolarHBondContact CA-OG1 3.36Å; S159-T162 PolarHBondContact O-N 3.28Å; S159-T162 PolarHBondContact O-OG1 2.98Å; S159-A163 WeakPolarHBondContact O-CB 3.26Å; S159-A163 PolarHBondContact O-N 3.32Å
160	L	92.7	Very high	91	Very high	109 Å²	109	62.1 Å²	62.1	57%	0.571	35%	0.349	S	S	*	.	H	α-helix	trans	-61.3	-47.9	177.2	179	62.5	0	0	0	111.7	L156 G157 A158 A163 L164	L156-L160 WeakPolarHBondContact O-CB 3.18Å; L156-L160 PolarHBondContact O-N 3Å; L156-L160 VanDerWaalsContact O-N 3.11Å; G157-L160 PolarHBondContact O-N 2.97Å; A158-L160 PolarHBondContact O-N 3.09Å; L160-A163 PolarHBondContact O-N 3.33Å; L160-L164 HydrophobicContact CD1-CD1 4.33Å; L160-L164 HydrophobicContact CD1-CG 4.45Å; L160-L164 HydrophobicContact CG-CD1 4.3Å; L160-L164 WeakPolarHBondContact O-CG 3.38Å; L160-L164 PolarHBondContact O-N 3.1Å
161	L	93.2	Very high	89.8	Confident	82 Å²	82	66.9 Å²	66.9	43%	0.429	38%	0.38	S	S	.	.	H	α-helix	trans	-63.7	-42.7	179.8	-73.6	169.8	0	0	0	111.8	I44 I48 G157 A158 L164 A165	I44-L161 HydrophobicContact CG2-CB 4.3Å; I48-L161 HydrophobicContact CD1-CB 4.42Å; I48-L161 HydrophobicContact CD1-CD1 3.92Å; I48-L161 HydrophobicContact CG1-CB 4.33Å; G157-L161 WeakPolarHBondContact O-CB 3.46Å; G157-L161 WeakPolarHBondContact O-CG 3.34Å; G157-L161 PolarHBondContact O-N 3.21Å; A158-L161 PolarHBondContact O-N 3.4Å; L161-L164 PolarHBondContact O-N 2.98Å; L161-A165 WeakPolarHBondContact O-CB 3.39Å; L161-A165 PolarHBondContact O-N 2.95Å
162	T	91.8	Very high	88.5	Confident	10 Å²	10	66.3 Å²	66.3	6%	0.061	38%	0.375	C	S	.	.	H	α-helix	trans	-67.7	-35.3	176.8	52.3	0	0	0	0	112.6	I48 F97 A158 S159 A165 S166	I48-T162 HydrophobicContact CB-CG2 3.86Å; I48-T162 HydrophobicContact CG1-CG2 4.06Å; I48-T162 HydrophobicContact CG2-CG2 3.76Å; F97-T162 HydrophobicContact CE1-CG2 4.22Å; A158-T162 WeakPolarHBondContact O-CG2 3.43Å; A158-T162 PolarHBondContact O-N 3.17Å; A158-T162 PolarHBondContact O-OG1 3.26Å; S159-T162 WeakPolarHBondContact CA-OG1 3.36Å; S159-T162 PolarHBondContact O-N 3.28Å; S159-T162 PolarHBondContact O-OG1 2.98Å; T162-A165 PolarHBondContact O-N 2.84Å; T162-S166 VanDerWaalsContact O-CB 3.29Å; T162-S166 WeakPolarHBondContact O-CB 3.43Å; T162-S166 PolarHBondContact O-N 2.84Å; T162-S166 PolarHBondContact O-OG 3.11Å
163	A	90.8	Very high	86.7	Confident	53 Å²	53	66 Å²	66	44%	0.438	37%	0.372	S	S	.	.	H	α-helix	trans	-63.8	-47.8	175.4	0	0	0	0	0	110.7	S159 L160 A165 S166 L167	S159-A163 WeakPolarHBondContact O-CB 3.26Å; S159-A163 PolarHBondContact O-N 3.32Å; L160-A163 PolarHBondContact O-N 3.33Å; A163-A165 PolarHBondContact O-N 3.25Å; A163-S166 PolarHBondContact O-N 3.31Å; A163-L167 WeakPolarHBondContact O-CG 3.34Å; A163-L167 PolarHBondContact O-N 3.1Å; A163-L167 VanDerWaalsContact O-N 3.16Å
164	L	91.9	Very high	84.8	Confident	99 Å²	99	65.7 Å²	65.7	52%	0.518	37%	0.374	S	S	.	.	H	α-helix	trans	-61.8	-42.7	177.3	-68.6	173.8	0	0	0	112.3	L160 L161 L167	L160-L164 HydrophobicContact CD1-CD1 4.33Å; L160-L164 HydrophobicContact CD1-CG 4.45Å; L160-L164 HydrophobicContact CG-CD1 4.3Å; L160-L164 WeakPolarHBondContact O-CG 3.38Å; L160-L164 PolarHBondContact O-N 3.1Å; L161-L164 PolarHBondContact O-N 2.98Å; L164-L167 HydrophobicContact CD2-CD1 4.38Å; L164-L167 PolarHBondContact O-N 3.35Å
165	A	91.7	Very high	82.4	Confident	5 Å²	5	69.9 Å²	69.9	4%	0.041	40%	0.398	C	S	.	.	H	α-helix	trans	-63.5	-41.3	175.5	0	0	0	0	0	111.7	I44 I45 L161 T162 A163 L167 T168	I44-A165 HydrophobicContact CB-CB 4.22Å; I44-A165 HydrophobicContact CG2-CB 4.06Å; I45-A165 HydrophobicContact CD1-CB 4.19Å; I45-A165 HydrophobicContact CG1-CB 3.87Å; L161-A165 WeakPolarHBondContact O-CB 3.39Å; L161-A165 PolarHBondContact O-N 2.95Å; T162-A165 PolarHBondContact O-N 2.84Å; A163-A165 PolarHBondContact O-N 3.25Å; A165-L167 VanDerWaalsContact C-N 3.29Å; A165-L167 PolarHBondContact O-N 3.32Å; A165-T168 PolarHBondContact O-N 3.04Å; A165-T168 VanDerWaalsContact O-N 3.13Å; A165-T168 PolarHBondContact O-OG1 3.2Å
166	S	89.2	Confident	80.2	Confident	36 Å²	36	73.7 Å²	73.7	25%	0.252	42%	0.415	S	S	.	.	H	α-helix	trans	-64.5	-31	-179.3	-59.3	0	0	0	0	113.1	L100 T162 A163 T168 L169	L100-S166 WeakPolarHBondContact CD2-OG 3.3Å; T162-S166 VanDerWaalsContact O-CB 3.29Å; T162-S166 WeakPolarHBondContact O-CB 3.43Å; T162-S166 PolarHBondContact O-N 2.84Å; T162-S166 PolarHBondContact O-OG 3.11Å; A163-S166 PolarHBondContact O-N 3.31Å; S166-T168 PolarHBondContact O-N 3.37Å; S166-T168 VanDerWaalsContact O-N 3.07Å; S166-L169 WeakPolarHBondContact O-CB 3.38Å; S166-L169 PolarHBondContact O-N 3.48Å; S166-L169 VanDerWaalsContact O-N 3.08Å
167	L	89.1	Confident	77.7	Confident	147 Å²	147	70 Å²	70	77%	0.77	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-18.7	175.8	-69	173.6	0	0	0	113.6	A163 L164 A165	A163-L167 WeakPolarHBondContact O-CG 3.34Å; A163-L167 PolarHBondContact O-N 3.1Å; A163-L167 VanDerWaalsContact O-N 3.16Å; L164-L167 HydrophobicContact CD2-CD1 4.38Å; L164-L167 PolarHBondContact O-N 3.35Å; A165-L167 VanDerWaalsContact C-N 3.29Å; A165-L167 PolarHBondContact O-N 3.32Å
168	T	88.3	Confident	75	Confident	33 Å²	33	72.8 Å²	72.8	20%	0.202	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-11.4	180	71.4	0	0	0	0	113.5	I37 S41 A165 S166 K170	I37-T168 HydrophobicContact CG2-CG2 4.36Å; S41-T168 WeakPolarHBondContact CB-OG1 3.49Å; S41-T168 PolarHBondContact OG-OG1 3.31Å; A165-T168 PolarHBondContact O-N 3.04Å; A165-T168 VanDerWaalsContact O-N 3.13Å; A165-T168 PolarHBondContact O-OG1 3.2Å; S166-T168 PolarHBondContact O-N 3.37Å; S166-T168 VanDerWaalsContact O-N 3.07Å; T168-K170 PolarHBondContact O-N 3.28Å
169	L	83.6	Confident	72.4	Confident	44 Å²	44	79.1 Å²	79.1	23%	0.23	45%	0.447	C	S	.	.			trans	-72.3	92.9	178.3	-65.4	177.5	0	0	0	108.8	I38 I45 C103 S166	I38-L169 HydrophobicContact CG2-CD2 4.34Å; I45-L169 HydrophobicContact CD1-CD1 4.11Å; C103-L169 HydrophobicContact CB-CD1 4.19Å; S166-L169 WeakPolarHBondContact O-CB 3.38Å; S166-L169 PolarHBondContact O-N 3.48Å; S166-L169 VanDerWaalsContact O-N 3.08Å
170	K	78.8	Confident	70	Confident	126 Å²	126	79.9 Å²	79.9	55%	0.548	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-92.5	137.4	177.4	-171.6	178	177.8	176.9	0	109.7	Y111 T168 F172	Y111-K170 PolarHBondContact OH-O 3.22Å; Y111-K170 VanDerWaalsContact OH-O 3.1Å; T168-K170 PolarHBondContact O-N 3.28Å; K170-F172 PolarHBondContact O-N 3.33Å
171	P	69.4	Low	67.3	Low	100 Å²	100	79 Å²	79	65%	0.649	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-61.1	132.4	173.4	23.8	-32.8	0	0	0	110.5
172	F	66.7	Low	64.9	Low	60 Å²	60	82.4 Å²	82.4	26%	0.263	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-76.1	122.2	171.7	-167.8	-106	0	0	0	108.6	T30 Y111 K170 T174	T30-F172 HydrophobicContact CG2-CZ 3.86Å; Y111-F172 AromaticContact CD1-CD2 3.89Å; Y111-F172 HydrophobicContact CD1-CD2 3.89Å; Y111-F172 HydrophobicContact CD1-CE2 4.14Å; Y111-F172 HydrophobicContact CD2-CB 4.21Å; Y111-F172 AromaticContact CD2-CD2 3.86Å; Y111-F172 HydrophobicContact CD2-CD2 3.86Å; Y111-F172 HydrophobicContact CD2-CG 4.32Å; Y111-F172 AromaticContact CE1-CD2 3.7Å; Y111-F172 HydrophobicContact CE1-CD2 3.7Å; Y111-F172 HydrophobicContact CE1-CE2 4.23Å; Y111-F172 HydrophobicContact CE2-CB 3.63Å; Y111-F172 AromaticContact CE2-CD2 3.66Å; Y111-F172 HydrophobicContact CE2-CD2 3.66Å; Y111-F172 HydrophobicContact CE2-CG 4.06Å; Y111-F172 AromaticContact CG-CD2 4Å; Y111-F172 HydrophobicContact CG-CD2 4Å; Y111-F172 HydrophobicContact CG-CE2 4.39Å; Y111-F172 AromaticContact CZ-CD2 3.59Å; K170-F172 PolarHBondContact O-N 3.33Å; F172-T174 HydrophobicContact CD1-CG2 3.97Å; F172-T174 HydrophobicContact CE1-CG2 3.52Å
173	I	56.6	Low	62.3	Low	106 Å²	106	86.8 Å²	86.8	54%	0.544	48%	0.483	S	S	.	.			trans	-111	109	176.1	-57.4	172.1	0	0	0	106.1
174	T	52.8	Low	59.5	Low	74 Å²	74	88 Å²	88	45%	0.454	49%	0.485	S	S	.	.			trans	-70.4	125.2	164.5	44.3	0	0	0	0	107.3	F172 D176 S177	F172-T174 HydrophobicContact CD1-CG2 3.97Å; F172-T174 HydrophobicContact CE1-CG2 3.52Å; T174-D176 PolarHBondContact O-N 2.77Å; T174-S177 PolarHBondContact O-N 2.8Å
175	N	42.9	Very low	56.9	Low	114 Å²	114	90.3 Å²	90.3	61%	0.61	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-67.8	-1	177.7	-82.1	-7	0	0	0	113.1	S177 S178	N175-S177 PolarHBondContact O-N 2.68Å; N175-S178 PolarHBondContact O-N 3.3Å
176	D	46.3	Very low	54.3	Low	127 Å²	127	96.5 Å²	96.5	68%	0.679	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-67.1	-14.3	173.7	-58.2	-32.1	0	0	0	112	T174 S178 D179	T174-D176 PolarHBondContact O-N 2.77Å; D176-S178 PolarHBondContact O-N 3.23Å; D176-D179 PolarHBondContact O-N 3.22Å; D176-D179 VanDerWaalsContact O-N 3.09Å
177	S	40	Very low	51.6	Low	45 Å²	45	98.2 Å²	98.2	32%	0.315	53%	0.531	S	S	.	.	G	3₁₀ helix	trans	-68.9	-0.5	176.5	76.2	0	0	0	0	114.4	T174 N175 D179	T174-S177 PolarHBondContact O-N 2.8Å; N175-S177 PolarHBondContact O-N 2.68Å; S177-D179 PolarHBondContact O-N 3.32Å
178	S	37	Very low	48.9	Very low	91 Å²	91	95.1 Å²	95.1	64%	0.636	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-67.3	-18.1	166.1	58.7	0	0	0	0	112.2	N175 D176	N175-S178 PolarHBondContact O-N 3.3Å; D176-S178 PolarHBondContact O-N 3.23Å
179	D	38	Very low	46.6	Very low	138 Å²	138	98.4 Å²	98.4	74%	0.738	54%	0.538	S	S	*	.	S	Bend	trans	-108.4	5.2	178.7	-64.9	-19.1	0	0	0	113.2	D176 S177 P181	D176-D179 PolarHBondContact O-N 3.22Å; D176-D179 VanDerWaalsContact O-N 3.09Å; S177-D179 PolarHBondContact O-N 3.32Å; D179-P181 WeakPolarHBondContact O-CD 3.34Å
180	D	38.8	Very low	44.2	Very low	79 Å²	79	102.6 Å²	102.6	42%	0.422	56%	0.559	S	S	.	*			trans	-72.8	106.3	171.1	-90.8	-32.2	0	0	0	109.8	E182 L183	D180-E182 PolarHBondContact O-N 3.31Å; D180-E182 VanDerWaalsContact O-N 3.12Å; D180-L183 PolarHBondContact O-N 2.67Å
181	P	37	Very low	42.1	Very low	89 Å²	89	104.8 Å²	104.8	58%	0.578	57%	0.572	S	S	*	*	H	α-helix	trans	-67.6	-16.3	-177.6	-2.2	16.5	0	0	0	112.4	D179 K185	D179-P181 WeakPolarHBondContact O-CD 3.34Å; P181-K185 WeakPolarHBondContact O-CB 3.41Å; P181-K185 WeakPolarHBondContact O-CG 3.47Å; P181-K185 PolarHBondContact O-N 3.11Å; P181-K185 VanDerWaalsContact O-N 3.12Å
182	E	41.6	Very low	40.4	Very low	154 Å²	154	107 Å²	107	72%	0.72	58%	0.578	S	S	*	*	H	α-helix	trans	-71.5	-36.5	179.9	-83	-170.9	145.3	0	0	113.3	D180 Q186	D180-E182 PolarHBondContact O-N 3.31Å; D180-E182 VanDerWaalsContact O-N 3.12Å; E182-Q186 PolarHBondContact O-N 3.48Å
183	L	37.3	Very low	38.7	Very low	103 Å²	103	108.5 Å²	108.5	54%	0.539	60%	0.596	S	S	.	*	H	α-helix	trans	-79	-31.6	179	-93.5	141.4	0	0	0	112.4	D180 Q186 S187	D180-L183 PolarHBondContact O-N 2.67Å; L183-Q186 PolarHBondContact O-N 3.11Å; L183-S187 PolarHBondContact O-N 3.16Å; L183-S187 PolarHBondContact O-OG 3.42Å
184	T	32.2	Very low	37.5	Very low	77 Å²	77	113 Å²	113	47%	0.472	61%	0.611	S	S	.	*	H	α-helix	trans	-71.4	-37.2	174.5	-39.3	0	0	0	0	111.1	Q186 S187 T188	T184-Q186 VanDerWaalsContact C-N 3.33Å; T184-Q186 PolarHBondContact O-N 2.95Å; T184-S187 WeakPolarHBondContact CA-OG 3.31Å; T184-S187 PolarHBondContact O-N 2.91Å; T184-S187 PolarHBondContact O-OG 3.18Å; T184-S187 VanDerWaalsContact O-OG 3.11Å; T184-T188 PolarHBondContact O-N 2.85Å; T184-T188 VanDerWaalsContact O-N 3.09Å; T184-T188 PolarHBondContact O-OG1 3.27Å
185	K	37.6	Very low	36.3	Very low	149 Å²	149	118 Å²	118	65%	0.648	63%	0.63	S	S	*	*	H	α-helix	trans	-63.6	-37.2	172.9	-83.9	-177.4	178	179.1	0	112.8	P181 S187 T188 V189	P181-K185 WeakPolarHBondContact O-CB 3.41Å; P181-K185 WeakPolarHBondContact O-CG 3.47Å; P181-K185 PolarHBondContact O-N 3.11Å; P181-K185 VanDerWaalsContact O-N 3.12Å; K185-S187 VanDerWaalsContact C-N 3.28Å; K185-S187 PolarHBondContact O-N 3.47Å; K185-T188 PolarHBondContact O-N 2.92Å; K185-T188 PolarHBondContact O-OG1 3.05Å; K185-T188 VanDerWaalsContact O-OG1 3.12Å; K185-V189 VanDerWaalsContact O-CG2 3.23Å; K185-V189 WeakPolarHBondContact O-CG2 3.47Å; K185-V189 PolarHBondContact O-N 3.42Å
186	Q	37.9	Very low	35.5	Very low	135 Å²	135	119 Å²	119	63%	0.631	64%	0.64	S	S	*	*	H	α-helix	trans	-68.7	-25.6	176.8	-94.3	-179.6	-11.9	0	0	113.8	E182 L183 T184	E182-Q186 PolarHBondContact O-N 3.48Å; L183-Q186 PolarHBondContact O-N 3.11Å; T184-Q186 VanDerWaalsContact C-N 3.33Å; T184-Q186 PolarHBondContact O-N 2.95Å
187	S	32.6	Very low	34.7	Very low	72 Å²	72	119.5 Å²	119.5	50%	0.503	65%	0.648	S	S	.	*	H	α-helix	trans	-84.2	-32.5	176.2	29.2	0	0	0	0	112.6	L183 T184 K185 I190	L183-S187 PolarHBondContact O-N 3.16Å; L183-S187 PolarHBondContact O-OG 3.42Å; T184-S187 WeakPolarHBondContact CA-OG 3.31Å; T184-S187 PolarHBondContact O-N 2.91Å; T184-S187 PolarHBondContact O-OG 3.18Å; T184-S187 VanDerWaalsContact O-OG 3.11Å; K185-S187 VanDerWaalsContact C-N 3.28Å; K185-S187 PolarHBondContact O-N 3.47Å; S187-I190 PolarHBondContact O-N 3.31Å
188	T	32.6	Very low	34.1	Very low	82 Å²	82	122.6 Å²	122.6	50%	0.503	67%	0.67	S	S	.	*	H	α-helix	trans	-73.3	-28.4	175.4	51.1	0	0	0	0	113.5	T184 K185 I190 E191	T184-T188 PolarHBondContact O-N 2.85Å; T184-T188 VanDerWaalsContact O-N 3.09Å; T184-T188 PolarHBondContact O-OG1 3.27Å; K185-T188 PolarHBondContact O-N 2.92Å; K185-T188 PolarHBondContact O-OG1 3.05Å; K185-T188 VanDerWaalsContact O-OG1 3.12Å; T188-I190 PolarHBondContact O-N 2.98Å; T188-E191 PolarHBondContact O-N 3.41Å
189	V	38.2	Very low	33.6	Very low	101 Å²	101	125.3 Å²	125.3	61%	0.612	68%	0.677	S	S	*	*	H	α-helix	trans	-67.8	-19	178	172.5	0	0	0	0	112.5	K185	K185-V189 VanDerWaalsContact O-CG2 3.23Å; K185-V189 WeakPolarHBondContact O-CG2 3.47Å; K185-V189 PolarHBondContact O-N 3.42Å
190	I	34	Very low	33.1	Very low	133 Å²	133	127.8 Å²	127.8	68%	0.682	68%	0.684	S	S	*	*	H	α-helix	trans	-78.4	-21.8	-179.6	-61.4	173.4	0	0	0	112.2	S187 T188	S187-I190 PolarHBondContact O-N 3.31Å; T188-I190 PolarHBondContact O-N 2.98Å
191	E	34.5	Very low	32.4	Very low	172 Å²	172	132.8 Å²	132.8	80%	0.804	71%	0.707	S	S	*	*	H	α-helix	trans	-86.3	-30.2	179.4	-78.9	-174.1	159.1	0	0	113.7	T188	T188-E191 PolarHBondContact O-N 3.41Å
192	D	34.9	Very low	32	Very low	145 Å²	145	136.8 Å²	136.8	78%	0.775	72%	0.723	S	S	*	*	H	α-helix	trans	-91.7	-5.7	-176.7	-82.2	-18.9	0	0	0	114.9	K194	D192-K194 PolarHBondContact O-N 2.98Å
193	S	29.1	Very low	31.2	Very low	93 Å²	93	136 Å²	136	65%	0.65	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	27.1	-176.4	79.4	0	0	0	0	115
194	K	31.2	Very low	30.7	Very low	199 Å²	199	139.7 Å²	139.7	87%	0.865	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	-3.1	171.8	-93.3	-170.9	178.5	-178.5	0	114.9	D192	D192-K194 PolarHBondContact O-N 2.98Å
195	Q	27.6	Very low	30.4	Very low	179 Å²	179	145.6 Å²	145.6	84%	0.836	76%	0.764	S	S	*	*	S	Bend	trans	-152.4	73.8	-178.2	-106.6	176.2	-14	0	0	112.1
196	T	27.6	Very low	29.9	Very low	135 Å²	135	144.8 Å²	144.8	83%	0.828	77%	0.772	S	S	*	*			trans	-155.6	118.9	150	-23.1	0	0	0	0	110.9
197	T	27.9	Very low	29.4	Very low	138 Å²	138	145.4 Å²	145.4	85%	0.847	78%	0.778	S	S	*	*			trans	-60.9	148.6	174.6	38.1	0	0	0	0	112.1
198	S	28.5	Very low	29.2	Very low	110 Å²	110	147.4 Å²	147.4	77%	0.769	79%	0.789	S	S	*	*	S	Bend	trans	-37.8	143.5	174.8	-60.3	0	0	0	0	114.6
199	D	27	Very low	28.9	Very low	149 Å²	149	152.3 Å²	152.3	80%	0.797	81%	0.806	S	S	*	*			trans	112.3	69.2	166.1	-59.7	-14.3	0	0	0	114.1
200	Q	27.2	Very low	28.3	Very low	189 Å²	189	155 Å²	155	88%	0.883	82%	0.816	S	S	*	*			trans	-169.1	100.7	138.9	-103.7	162.1	50.9	0	0	109.7	L202	Q200-L202 PolarHBondContact O-N 3.42Å
201	M	23.9	Very low	27.7	Very low	185 Å²	185	154.3 Å²	154.3	91%	0.911	82%	0.818	S	S	*	*			trans	-57.1	119.1	166.9	-73.9	178.2	74.5	0	0	108.9	V203	M201-V203 PolarHBondContact O-N 2.95Å
202	L	27.6	Very low	27.2	Very low	173 Å²	173	156.9 Å²	156.9	91%	0.906	82%	0.822	S	S	*	*			trans	-53.5	110.5	179.2	-94	106.5	0	0	0	111.6	Q200 M204	Q200-L202 PolarHBondContact O-N 3.42Å; L202-M204 PolarHBondContact O-N 2.94Å
203	V	26.3	Very low	26.9	Very low	138 Å²	138	157.3 Å²	157.3	84%	0.836	82%	0.822	S	S	*	*			trans	-76.8	110.4	164.7	175.5	0	0	0	0	107.9	M201 K205	M201-V203 PolarHBondContact O-N 2.95Å; V203-K205 PolarHBondContact O-N 3.36Å
204	M	25.9	Very low	26.7	Very low	180 Å²	180	160 Å²	160	89%	0.887	83%	0.829	S	S	*	*			trans	-71.2	110.1	179.9	-161.8	169.5	-130.1	0	0	110	L202 T206	L202-M204 PolarHBondContact O-N 2.94Å; M204-T206 PolarHBondContact O-N 3.4Å
205	K	25.5	Very low	26.5	Very low	200 Å²	200	158 Å²	158	87%	0.87	83%	0.828	S	S	*	*			trans	-83.4	107	177.8	-155.9	174.6	-172.3	177.4	0	108.7	V203	V203-K205 PolarHBondContact O-N 3.36Å
206	T	28	Very low	26.5	Very low	132 Å²	132	156.5 Å²	156.5	81%	0.81	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-61.8	136	176.9	-8.1	0	0	0	0	110.8	M204	M204-T206 PolarHBondContact O-N 3.4Å
207	I	27.3	Very low	26.6	Very low	149 Å²	149	156.3 Å²	156.3	76%	0.764	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-66.8	124.4	179.6	-60.5	163.5	0	0	0	108.6
208	P	27.8	Very low	26.5	Very low	113 Å²	113	156.6 Å²	156.6	73%	0.734	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-74.3	138.3	174.3	29.4	-29.8	0	0	0	110.4	I210	P208-I210 PolarHBondContact O-N 3.39Å
209	E	26.1	Very low	26.1	Very low	186 Å²	186	162 Å²	162	87%	0.869	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-46.8	130.8	175.2	-87.8	175	134.8	0	0	111.9	T211	E209-T211 VanDerWaalsContact C-N 3.33Å; E209-T211 PolarHBondContact O-N 3.38Å
210	I	26.1	Very low	26.1	Very low	157 Å²	157	162.5 Å²	162.5	81%	0.805	83%	0.826	S	S	*	*			trans	-71.6	90.3	173.1	-58.4	170.8	0	0	0	107.7	P208 Y212	P208-I210 PolarHBondContact O-N 3.39Å; I210-Y212 PolarHBondContact O-N 3.44Å
211	T	22.4	Very low	26	Very low	118 Å²	118	159.3 Å²	159.3	72%	0.724	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-70	118.2	161.1	26.4	0	0	0	0	108.9	E209 I213	E209-T211 VanDerWaalsContact C-N 3.33Å; E209-T211 PolarHBondContact O-N 3.38Å; T211-I213 PolarHBondContact O-N 3.42Å
212	Y	22.5	Very low	26	Very low	227 Å²	227	154.2 Å²	154.2	89%	0.89	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-54.4	119.7	169.7	-81.9	-104.1	0	0	0	109.4	I210	I210-Y212 PolarHBondContact O-N 3.44Å
213	I	29.4	Very low	26.1	Very low	153 Å²	153	156.1 Å²	156.1	79%	0.785	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-97.2	119.9	171.4	-62.3	174.3	0	0	0	106	T211	T211-I213 PolarHBondContact O-N 3.42Å
214	D	26	Very low	26	Very low	150 Å²	150	156.5 Å²	156.5	80%	0.802	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-56.1	132	177.8	-83.1	-47.8	0	0	0	111.6	D216	D214-D216 PolarHBondContact O-N 3.09Å
215	D	27	Very low	26.1	Very low	157 Å²	157	155.1 Å²	155.1	84%	0.84	81%	0.806	S	S	*	*			trans	-73.3	78.5	178.3	-78.1	-46.1	0	0	0	111.4
216	D	26.5	Very low	26.1	Very low	148 Å²	148	152 Å²	152	79%	0.791	80%	0.799	S	S	*	*			trans	-116.3	66.7	164.7	-82	-28.4	0	0	0	110.2	D214	D214-D216 PolarHBondContact O-N 3.09Å
217	V	30.2	Very low	25.9	Very low	130 Å²	130	156.8 Å²	156.8	79%	0.788	80%	0.802	S	S	*	*			trans	-99.6	87.5	170.4	-174.7	0	0	0	0	109.5	Y219	V217-Y219 PolarHBondContact O-N 3.44Å
218	I	25.3	Very low	25.7	Very low	145 Å²	145	155.7 Å²	155.7	74%	0.744	80%	0.802	S	S	*	*			trans	-63.8	122.3	167.3	-65.9	171.1	0	0	0	108.9	L220	I218-L220 PolarHBondContact O-N 3Å
219	Y	21	Very low	25.6	Very low	223 Å²	223	157.1 Å²	157.1	88%	0.875	81%	0.808	S	S	*	*			trans	-56.6	116.3	175.7	-83.3	-100.4	0	0	0	111.8	V217	V217-Y219 PolarHBondContact O-N 3.44Å
220	L	25.7	Very low	25.5	Very low	160 Å²	160	155 Å²	155	84%	0.838	80%	0.803	S	S	*	*			trans	-108	131.8	161.8	-76.8	167.2	0	0	0	109.9	I218	I218-L220 PolarHBondContact O-N 3Å
221	P	26.4	Very low	25.4	Very low	122 Å²	122	155.9 Å²	155.9	79%	0.792	81%	0.808	S	S	*	*			trans	-81.3	149.7	-167.2	33.2	-34.3	0	0	0	112.5
222	G	23.7	Very low	25.4	Very low	77 Å²	77	156.1 Å²	156.1	79%	0.794	81%	0.809	S	S	*	*			trans	-57.2	147	-167.1	0	0	0	0	0	116.8
223	K	29	Very low	25.5	Very low	214 Å²	214	150 Å²	150	93%	0.93	81%	0.805	S	S	*	*			trans	-129.8	128.3	151	-88.7	-175.2	177.1	176.6	0	110.2
224	N	24.2	Very low	25.4	Very low	145 Å²	145	150.1 Å²	150.1	78%	0.775	81%	0.806	S	S	*	*			trans	-66.7	154.7	179.2	-84.6	-28.3	0	0	0	113.3
225	H	28.4	Very low	25.2	Very low	152 Å²	152	151.8 Å²	151.8	70%	0.704	81%	0.808	S	S	*	*			trans	85.2	116.8	146.6	-71.9	-40.8	0	0	0	121.4
226	N	26.4	Very low	25.1	Very low	135 Å²	135	148.4 Å²	148.4	72%	0.722	80%	0.797	S	S	*	*			trans	63.3	90.3	135.2	-59.9	-4.4	0	0	0	116.3
227	R	22.7	Very low	25	Very low	232 Å²	232	148.6 Å²	148.6	88%	0.875	80%	0.798	S	S	*	*				69.9	122.8	89	-94.5	-170.9	177	174.7	-0.4	114.4
228	T	22.7	Very low	24.7	Very low	126 Å²	126	149 Å²	149	77%	0.773	81%	0.805	S	S	*	*			trans	70.2	93.7	153.2	57.7	0	0	0	0	117.5
229	V	26.2	Very low	24.8	Very low	142 Å²	142	151.2 Å²	151.2	86%	0.861	81%	0.81	S	S	*	*			trans	-143.7	139.8	139.2	-176.8	0	0	0	0	109.2
230	D	23.2	Very low	25.5	Very low	143 Å²	143	146 Å²	146	77%	0.765	80%	0.803	S	S	*	*			trans	-56.2	145.2	-168.8	-65.8	-60.7	0	0	0	117	T232	D230-T232 PolarHBondContact O-N 3.07Å
231	I	24	Very low	25.6	Very low	175 Å²	175	145.8 Å²	145.8	90%	0.897	80%	0.802	S	S	*	*			trans	-87.6	92.4	172.6	-58.8	170.5	0	0	0	107.3
232	T	24.1	Very low	25.5	Very low	123 Å²	123	146.8 Å²	146.8	76%	0.755	80%	0.801	S	S	*	*			trans	-106.1	131.2	161.3	31.7	0	0	0	0	110.2	D230 I234	D230-T232 PolarHBondContact O-N 3.07Å; T232-I234 PolarHBondContact O-N 3.09Å
233	A	24.7	Very low	25.4	Very low	97 Å²	97	148.2 Å²	148.2	80%	0.802	80%	0.799	S	S	*	*			trans	-44.6	125.1	-174.2	0	0	0	0	0	114.5
234	I	26.3	Very low	25.2	Very low	157 Å²	157	143.1 Å²	143.1	81%	0.805	79%	0.786	S	S	*	*			trans	-121.2	94	157.3	-59.2	179.8	0	0	0	107.2	T232	T232-I234 PolarHBondContact O-N 3.09Å
235	H	21.3	Very low	25.3	Very low	184 Å²	184	145.2 Å²	145.2	85%	0.852	79%	0.788	S	S	*	*			trans	-69.1	125.2	153.4	-115.3	-79.7	0	0	0	107.7
236	S	26.1	Very low	25	Very low	86 Å²	86	144.4 Å²	144.4	60%	0.601	79%	0.789	S	S	*	*			trans	-179.5	116.3	144.1	30	0	0	0	0	111.5
237	D	24.6	Very low	25.1	Very low	152 Å²	152	147.3 Å²	147.3	81%	0.813	80%	0.796	S	S	*	*			trans	52.7	90	131.3	-55.2	-16.2	0	0	0	119
238	C	23.7	Very low	25.1	Very low	138 Å²	138	143.6 Å²	143.6	93%	0.932	79%	0.793	S	S	*	*			trans	-105.9	112	149	-81.7	0	0	0	0	109.2
239	K	26.2	Very low	25.4	Very low	193 Å²	193	140.9 Å²	140.9	84%	0.839	79%	0.79	S	S	*	*			trans	-72.7	155	173.1	-83	178.1	175.2	175.7	0	111.3
240	P	36.5	Very low	25.3	Very low	114 Å²	114	143.4 Å²	143.4	74%	0.74	79%	0.793	S	S	*	*			trans	-95	124.8	-174.9	34.9	-25.5	0	0	0	110.8
241	D	26.8	Very low	25.4	Very low	154 Å²	154	146.4 Å²	146.4	82%	0.824	80%	0.799	S	S	*	*			trans	-119.5	106.9	166.3	-77.9	-24.9	0	0	0	109.3
242	D	24.4	Very low	25.4	Very low	144 Å²	144	147.4 Å²	147.4	77%	0.77	80%	0.796	S	S	*	*			trans	44.2	108.4	132	-70	-15.3	0	0	0	120.6
243	S	22.9	Very low	25.6	Very low	106 Å²	106	149.9 Å²	149.9	74%	0.741	80%	0.8	S	S	*	*				108.4	136.6	110.3	74.7	0	0	0	0	119.1
244	V	24.1	Very low	25.6	Very low	108 Å²	108	156.5 Å²	156.5	66%	0.655	80%	0.804	S	S	*	*			trans	82	101.2	157.1	-153.3	0	0	0	0	116.6
245	F	26.3	Very low	25.6	Very low	188 Å²	188	158.3 Å²	158.3	83%	0.825	81%	0.806	S	S	*	*				-173.5	120	100.6	-105	-78.9	0	0	0	110.4
246	D	21	Very low	26.2	Very low	136 Å²	136	157 Å²	157	73%	0.727	81%	0.805	S	S	*	*			trans	-81.2	121.2	-179.7	-161.6	7.7	0	0	0	109.4
247	F	29.1	Very low	26.4	Very low	195 Å²	195	158.2 Å²	158.2	86%	0.855	81%	0.813	S	S	*	*			trans	-125.8	100.3	167.4	-107.9	-81.8	0	0	0	108.8	G249	F247-G249 PolarHBondContact O-N 2.7Å; F247-G249 VanDerWaalsContact O-N 3.12Å
248	N	23.2	Very low	27.1	Very low	155 Å²	155	156.5 Å²	156.5	83%	0.829	80%	0.802	S	S	*	*			trans	-55.9	108.5	166.5	-83.9	-41.8	0	0	0	110.4
249	G	28.2	Very low	27.9	Very low	68 Å²	68	151.5 Å²	151.5	70%	0.701	77%	0.774	S	S	*	*			trans	-136.7	106.9	168.6	0	0	0	0	0	109	F247 K251	F247-G249 PolarHBondContact O-N 2.7Å; F247-G249 VanDerWaalsContact O-N 3.12Å; G249-K251 PolarHBondContact O-N 3.47Å
250	E	24.9	Very low	29	Very low	196 Å²	196	149.3 Å²	149.3	92%	0.916	77%	0.765	S	S	*	*			trans	-47.4	127.2	-177.3	-67.3	176.1	143.7	0	0	113	K252	E250-K252 PolarHBondContact O-N 3.25Å
251	K	24.9	Very low	29.4	Very low	205 Å²	205	149 Å²	149	89%	0.891	76%	0.761	S	S	*	*			trans	-62.4	91.2	174.4	-75.9	177.4	175.3	175.6	0	110.5	G249 E253	G249-K251 PolarHBondContact O-N 3.47Å; K251-E253 PolarHBondContact O-N 2.94Å; K251-E253 VanDerWaalsContact O-N 3.12Å
252	K	24.8	Very low	30.7	Very low	196 Å²	196	145.5 Å²	145.5	85%	0.852	74%	0.742	S	S	*	*			trans	-70.6	99.3	155.2	-91.3	179.9	176.6	173	0	108.1	E250 R254	E250-K252 PolarHBondContact O-N 3.25Å; K252-R254 PolarHBondContact O-N 3.05Å
253	E	27.9	Very low	31.7	Very low	176 Å²	176	140.9 Å²	140.9	82%	0.822	72%	0.724	S	S	*	*			trans	-53.2	98.3	168.7	-71	-178.1	159.2	0	0	109.7	K251 K255	K251-E253 PolarHBondContact O-N 2.94Å; K251-E253 VanDerWaalsContact O-N 3.12Å; E253-K255 PolarHBondContact O-N 2.94Å
254	R	24.7	Very low	32.6	Very low	235 Å²	235	139.8 Å²	139.8	89%	0.887	71%	0.709	S	S	*	*			trans	-68.8	99.9	166.2	-79.3	-172.6	-114	-174.5	-2.2	107	K252 L256	K252-R254 PolarHBondContact O-N 3.05Å; R254-L256 PolarHBondContact O-N 3.43Å
255	K	26.9	Very low	33.9	Very low	195 Å²	195	142.3 Å²	142.3	85%	0.848	71%	0.707	S	S	*	*			trans	-56.3	106.5	165.6	-75.1	-176.6	176.8	-179.5	0	107.9	E253 S257	E253-K255 PolarHBondContact O-N 2.94Å; K255-S257 PolarHBondContact O-N 3.35Å
256	L	32.2	Very low	34.9	Very low	158 Å²	158	139.4 Å²	139.4	83%	0.827	70%	0.696	S	S	*	*			trans	-60.9	100.5	175.9	-158.2	80.2	0	0	0	107.7	R254 I258	R254-L256 PolarHBondContact O-N 3.43Å; L256-I258 PolarHBondContact O-N 3.23Å
257	S	31.3	Very low	36.6	Very low	111 Å²	111	139.8 Å²	139.8	78%	0.776	69%	0.688	S	S	*	*			trans	-72.2	97.1	172.3	59.3	0	0	0	0	107.5	K255 G259	K255-S257 PolarHBondContact O-N 3.35Å; S257-G259 PolarHBondContact O-N 2.94Å
258	I	38.7	Very low	37.4	Very low	115 Å²	115	135.7 Å²	135.7	59%	0.59	68%	0.675	S	S	*	*			trans	-58	112.5	168.8	-67.4	164.3	0	0	0	106.3	L256 D262 A263	L256-I258 PolarHBondContact O-N 3.23Å; I258-D262 HydrophobicContact CG2-CB 4.16Å; I258-A263 HydrophobicContact CG2-CB 4.44Å
259	G	40	Very low	38.8	Very low	33 Å²	33	133.6 Å²	133.6	34%	0.34	66%	0.663	S	S	.	*			trans	-58.7	140.8	-179.8	0	0	0	0	0	110.2	S257 T261 D262 A263	S257-G259 PolarHBondContact O-N 2.94Å; G259-T261 PolarHBondContact O-N 3.4Å; G259-D262 PolarHBondContact O-N 3.34Å; G259-A263 PolarHBondContact O-N 3.37Å
260	F	50	Low	40	Very low	148 Å²	148	137.2 Å²	137.2	65%	0.649	67%	0.666	S	S	*	*	H	α-helix	trans	-50	-33.1	179.9	175.1	-99.3	0	0	0	113	A263 L264	F260-A263 PolarHBondContact O-N 3.17Å; F260-L264 HydrophobicContact CE1-CD2 4.35Å; F260-L264 VanDerWaalsContact O-CB 3.26Å; F260-L264 WeakPolarHBondContact O-CB 3.47Å; F260-L264 PolarHBondContact O-N 2.83Å
261	T	44.8	Very low	40.8	Very low	106 Å²	106	133.9 Å²	133.9	65%	0.65	65%	0.651	S	S	*	*	H	α-helix	trans	-62.9	-41.2	175.5	44.2	0	0	0	0	113.2	G259 R265	G259-T261 PolarHBondContact O-N 3.4Å; T261-R265 WeakPolarHBondContact O-CB 3.27Å; T261-R265 PolarHBondContact O-N 2.95Å
262	D	53.6	Low	41.2	Very low	81 Å²	81	133.3 Å²	133.3	43%	0.433	65%	0.648	S	S	.	*	H	α-helix	trans	-73	-36.8	176.4	-86.1	-29.2	0	0	0	111.8	I258 G259 R265 Q266	I258-D262 HydrophobicContact CG2-CB 4.16Å; G259-D262 PolarHBondContact O-N 3.34Å; D262-R265 PolarHBondContact O-N 2.95Å; D262-Q266 WeakPolarHBondContact O-CG 3.35Å; D262-Q266 PolarHBondContact O-N 3.06Å
263	A	46.6	Very low	41.6	Very low	47 Å²	47	126.1 Å²	126.1	39%	0.388	63%	0.63	S	S	.	*	H	α-helix	trans	-64.2	-43.9	173.5	0	0	0	0	0	111.6	I258 G259 F260 Q266 Y267	I258-A263 HydrophobicContact CG2-CB 4.44Å; G259-A263 PolarHBondContact O-N 3.37Å; F260-A263 PolarHBondContact O-N 3.17Å; A263-Q266 PolarHBondContact O-N 2.9Å; A263-Y267 WeakPolarHBondContact O-CB 3.43Å; A263-Y267 PolarHBondContact O-N 3.25Å
264	L	41.5	Very low	41.9	Very low	83 Å²	83	124 Å²	124	44%	0.435	63%	0.632	S	S	.	*	H	α-helix	trans	-64.7	-40.8	175.6	-171	70.3	0	0	0	111	F260 Y267 L268	F260-L264 HydrophobicContact CE1-CD2 4.35Å; F260-L264 VanDerWaalsContact O-CB 3.26Å; F260-L264 WeakPolarHBondContact O-CB 3.47Å; F260-L264 PolarHBondContact O-N 2.83Å; L264-Y267 PolarHBondContact O-N 3.33Å; L264-L268 HydrophobicContact CG-CD1 4.23Å; L264-L268 WeakPolarHBondContact O-CB 3.27Å; L264-L268 VanDerWaalsContact O-CG 3.29Å; L264-L268 WeakPolarHBondContact O-CG 3.41Å; L264-L268 PolarHBondContact O-N 3.25Å
265	R	51.4	Low	42.3	Very low	161 Å²	161	119.1 Å²	119.1	61%	0.608	63%	0.628	S	S	*	*	H	α-helix	trans	-61.5	-46.8	174.9	-178	177.1	178.2	-123.4	-2.6	111.8	T261 D262 Y267 L268 L269	T261-R265 WeakPolarHBondContact O-CB 3.27Å; T261-R265 PolarHBondContact O-N 2.95Å; D262-R265 PolarHBondContact O-N 2.95Å; R265-Y267 VanDerWaalsContact C-N 3.34Å; R265-L268 PolarHBondContact O-N 3.01Å; R265-L269 HydrophobicContact CG-CD1 4.01Å; R265-L269 WeakPolarHBondContact O-CB 3.36Å; R265-L269 VanDerWaalsContact O-CG 3.29Å; R265-L269 WeakPolarHBondContact O-CG 3.44Å; R265-L269 PolarHBondContact O-N 3.41Å
266	Q	47.7	Very low	42.4	Very low	128 Å²	128	117.5 Å²	117.5	60%	0.598	63%	0.628	S	S	*	*	H	α-helix	trans	-64.6	-38.8	176.9	-75.9	-172.1	3.7	0	0	112.1	D262 A263 L269 N270	D262-Q266 WeakPolarHBondContact O-CG 3.35Å; D262-Q266 PolarHBondContact O-N 3.06Å; A263-Q266 PolarHBondContact O-N 2.9Å; Q266-L269 PolarHBondContact O-N 3.11Å; Q266-N270 PolarHBondContact O-N 3.21Å; Q266-N270 VanDerWaalsContact O-N 3.09Å
267	Y	57	Low	42.2	Very low	143 Å²	143	118.3 Å²	118.3	56%	0.561	63%	0.633	S	S	*	*	H	α-helix	trans	-62.4	-45.8	176.2	-177.5	-96.5	0	0	0	112.1	A263 L264 R265 N270 Q271	A263-Y267 WeakPolarHBondContact O-CB 3.43Å; A263-Y267 PolarHBondContact O-N 3.25Å; L264-Y267 PolarHBondContact O-N 3.33Å; R265-Y267 VanDerWaalsContact C-N 3.34Å; Y267-N270 PolarHBondContact O-N 3.45Å; Y267-Q271 HydrophobicContact CE1-CG 4.18Å; Y267-Q271 WeakPolarHBondContact O-CG 3.36Å; Y267-Q271 PolarHBondContact O-N 2.96Å; Y267-Q271 PolarHBondContact OH-NE2 2.94Å; Y267-Q271 VanDerWaalsContact OH-NE2 3.15Å
268	L	44.5	Very low	42	Very low	109 Å²	109	118 Å²	118	57%	0.571	63%	0.631	S	S	*	*	H	α-helix	trans	-68.1	-34.5	179.6	-70.2	172.9	0	0	0	112.7	L264 R265	L264-L268 HydrophobicContact CG-CD1 4.23Å; L264-L268 WeakPolarHBondContact O-CB 3.27Å; L264-L268 VanDerWaalsContact O-CG 3.29Å; L264-L268 WeakPolarHBondContact O-CG 3.41Å; L264-L268 PolarHBondContact O-N 3.25Å; R265-L268 PolarHBondContact O-N 3.01Å
269	L	53.6	Low	41.6	Very low	112 Å²	112	121.8 Å²	121.8	59%	0.586	65%	0.646	S	S	*	*	H	α-helix	trans	-71.3	-35.6	177.6	-72.3	170.7	0	0	0	112.4	R265 Q266 Q271	R265-L269 HydrophobicContact CG-CD1 4.01Å; R265-L269 WeakPolarHBondContact O-CB 3.36Å; R265-L269 VanDerWaalsContact O-CG 3.29Å; R265-L269 WeakPolarHBondContact O-CG 3.44Å; R265-L269 PolarHBondContact O-N 3.41Å; Q266-L269 PolarHBondContact O-N 3.11Å; L269-Q271 VanDerWaalsContact C-N 3.29Å; L269-Q271 PolarHBondContact O-N 3.23Å
270	N	53.7	Low	41.1	Very low	143 Å²	143	125.9 Å²	125.9	77%	0.765	67%	0.665	S	S	*	*	H	α-helix	trans	-75.5	-14.4	178.8	-80.2	-4.4	0	0	0	114.1	Q266 Y267	Q266-N270 PolarHBondContact O-N 3.21Å; Q266-N270 VanDerWaalsContact O-N 3.09Å; Y267-N270 PolarHBondContact O-N 3.45Å
271	Q	40.6	Very low	40.2	Very low	126 Å²	126	126.6 Å²	126.6	59%	0.589	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-10.5	179.8	-75.4	-93.4	-15.3	0	0	113.6	Y267 L269 G273	Y267-Q271 HydrophobicContact CE1-CG 4.18Å; Y267-Q271 WeakPolarHBondContact O-CG 3.36Å; Y267-Q271 PolarHBondContact O-N 2.96Å; Y267-Q271 PolarHBondContact OH-NE2 2.94Å; Y267-Q271 VanDerWaalsContact OH-NE2 3.15Å; L269-Q271 VanDerWaalsContact C-N 3.29Å; L269-Q271 PolarHBondContact O-N 3.23Å; Q271-G273 VanDerWaalsContact C-N 3.26Å; Q271-G273 PolarHBondContact O-N 3.21Å
272	K	34.6	Very low	39.6	Very low	193 Å²	193	128.7 Å²	128.7	84%	0.839	68%	0.682	S	S	*	*			trans	-81.9	71.4	172.7	-89.3	-173.2	172.6	-176	0	111.1
273	G	33	Very low	38.5	Very low	45 Å²	45	132.9 Å²	132.9	46%	0.464	71%	0.705	S	S	.	*			trans	-73.3	152.3	155.1	0	0	0	0	0	110.2	Q271 T275	Q271-G273 VanDerWaalsContact C-N 3.26Å; Q271-G273 PolarHBondContact O-N 3.21Å; G273-T275 PolarHBondContact O-N 3.05Å; G273-T275 VanDerWaalsContact O-N 3.07Å
274	P	33.6	Very low	37.7	Very low	133 Å²	133	135.1 Å²	135.1	86%	0.864	72%	0.723	S	S	*	*			trans	-69.7	107.4	-176.2	28.8	-31.3	0	0	0	109.6
275	T	33.4	Very low	37.3	Very low	131 Å²	131	138.1 Å²	138.1	80%	0.804	74%	0.735	S	S	*	*			trans	-86.2	112.8	172.4	33.5	0	0	0	0	109.7	G273	G273-T275 PolarHBondContact O-N 3.05Å; G273-T275 VanDerWaalsContact O-N 3.07Å
276	D	29.7	Very low	36.5	Very low	161 Å²	161	137.3 Å²	137.3	86%	0.861	74%	0.743	S	S	*	*			trans	-64.1	127.9	167.6	-73.9	-37	0	0	0	110	S278	D276-S278 PolarHBondContact O-N 3.42Å
277	L	27.9	Very low	35.8	Very low	176 Å²	176	135 Å²	135	92%	0.921	75%	0.745	S	S	*	*			trans	-72.4	118.7	178.2	-77.7	112.9	0	0	0	110.3
278	S	27.2	Very low	34.8	Very low	104 Å²	104	136.2 Å²	136.2	73%	0.727	76%	0.756	S	S	*	*			trans	-108	118.1	157.2	61.5	0	0	0	0	108.8	D276 T280	D276-S278 PolarHBondContact O-N 3.42Å; S278-T280 PolarHBondContact O-N 3.43Å
279	E	30.1	Very low	34.6	Very low	194 Å²	194	133.4 Å²	133.4	91%	0.907	75%	0.746	S	S	*	*			trans	-61.2	124.4	176.4	-65.3	169.4	154.7	0	0	110.7
280	T	29.6	Very low	33.5	Very low	120 Å²	120	133.9 Å²	133.9	74%	0.736	75%	0.746	S	S	*	*			trans	-138.5	137.2	164.7	48.7	0	0	0	0	110	S278	S278-T280 PolarHBondContact O-N 3.43Å
281	D	30.9	Very low	32.7	Very low	163 Å²	163	132.7 Å²	132.7	87%	0.872	74%	0.739	S	S	*	*			trans	-53.7	137.5	-160.5	-65.2	-55.3	0	0	0	117.3
282	N	31.5	Very low	32.3	Very low	149 Å²	149	128.9 Å²	128.9	80%	0.797	73%	0.733	S	S	*	*			trans	-96.1	99.6	178.5	-69.1	-44.8	0	0	0	110.5
283	D	30	Very low	32.4	Very low	169 Å²	169	122.9 Å²	122.9	90%	0.904	72%	0.715	S	S	*	*			trans	-138.3	25.2	171.4	-86.1	-33.5	0	0	0	113.9
284	A	30.7	Very low	32.3	Very low	94 Å²	94	130 Å²	130	78%	0.777	73%	0.728	S	S	*	*	S	Bend	trans	-126.1	7.1	-178.4	0	0	0	0	0	116.8
285	E	33.4	Very low	32.4	Very low	147 Å²	147	129.5 Å²	129.5	69%	0.687	72%	0.718	S	S	*	*			trans	-95.5	-5.9	-175.3	-78.6	-162.9	153.2	0	0	116.5	A287	E285-A287 PolarHBondContact O-N 3.1Å
286	D	33.6	Very low	32.5	Very low	144 Å²	144	130.7 Å²	130.7	77%	0.77	71%	0.707	S	S	*	*	H	α-helix	trans	-78.8	-15.5	-173.1	-80.7	-25	0	0	0	115.3
287	A	32.9	Very low	32.5	Very low	78 Å²	78	131.3 Å²	131.3	65%	0.645	70%	0.702	S	S	*	*	H	α-helix	trans	-82.3	-35	-177.1	0	0	0	0	0	114	E285	E285-A287 PolarHBondContact O-N 3.1Å
288	E	36.2	Very low	32.9	Very low	169 Å²	169	127 Å²	127	79%	0.79	69%	0.687	S	S	*	*	H	α-helix	trans	-80	-28.5	-175.6	-67.8	-162.7	153.4	0	0	113	M290 I291	E288-M290 VanDerWaalsContact C-N 3.31Å; E288-M290 PolarHBondContact O-N 3.24Å; E288-I291 PolarHBondContact O-N 3.15Å
289	S	41	Very low	33.3	Very low	51 Å²	51	124.8 Å²	124.8	36%	0.357	67%	0.672	S	S	.	*	H	α-helix	trans	-65.4	-29.2	180	-177.4	0	0	0	0	113.6	I291	S289-I291 PolarHBondContact O-N 3.21Å
290	M	30.8	Very low	33.5	Very low	122 Å²	122	119 Å²	119	60%	0.601	65%	0.647	S	S	*	*	H	α-helix	trans	-72.6	-26.3	-178.6	-76.5	-175.8	70.7	0	0	113.7	E288 S293	E288-M290 VanDerWaalsContact C-N 3.31Å; E288-M290 PolarHBondContact O-N 3.24Å; M290-S293 PolarHBondContact O-OG 2.81Å
291	I	35.9	Very low	33.7	Very low	118 Å²	118	116.6 Å²	116.6	61%	0.605	65%	0.646	S	S	*	*	H	α-helix	trans	-77.7	-42.2	-178.3	-62.7	171.8	0	0	0	110.6	E288 S289 S293 R294 L295	E288-I291 PolarHBondContact O-N 3.15Å; S289-I291 PolarHBondContact O-N 3.21Å; I291-S293 PolarHBondContact O-N 3.46Å; I291-R294 PolarHBondContact O-N 2.73Å; I291-L295 HydrophobicContact CG2-CD1 4.37Å; I291-L295 PolarHBondContact O-N 3.05Å
292	G	32.9	Very low	33.8	Very low	46 Å²	46	117.8 Å²	117.8	47%	0.474	64%	0.644	S	S	.	*	H	α-helix	trans	-65.6	-38.9	-179.4	0	0	0	0	0	113.8	R294 L295 W296	G292-R294 VanDerWaalsContact C-N 3.32Å; G292-R294 PolarHBondContact O-N 3.11Å; G292-L295 PolarHBondContact O-N 2.82Å; G292-W296 PolarHBondContact O-N 2.72Å
293	S	36.5	Very low	33.7	Very low	66 Å²	66	118.8 Å²	118.8	46%	0.462	64%	0.641	S	S	.	*	H	α-helix	trans	-69	-27.5	-177.8	66.8	0	0	0	0	113.8	M290 I291	M290-S293 PolarHBondContact O-OG 2.81Å; I291-S293 PolarHBondContact O-N 3.46Å
294	R	30.5	Very low	33.7	Very low	195 Å²	195	121.5 Å²	121.5	74%	0.736	64%	0.638	S	S	*	*	H	α-helix	trans	-77.5	-36.6	176.4	-72.5	-171.2	177.8	-163.7	1.3	112.6	I291 G292	I291-R294 PolarHBondContact O-N 2.73Å; G292-R294 VanDerWaalsContact C-N 3.32Å; G292-R294 PolarHBondContact O-N 3.11Å
295	L	35.7	Very low	33.5	Very low	122 Å²	122	126 Å²	126	64%	0.639	64%	0.643	S	S	*	*	H	α-helix	trans	-65.3	-39.2	176.2	-83.8	157.8	0	0	0	111.6	I291 G292 S298	I291-L295 HydrophobicContact CG2-CD1 4.37Å; I291-L295 PolarHBondContact O-N 3.05Å; G292-L295 PolarHBondContact O-N 2.82Å; L295-S298 PolarHBondContact O-N 3.37Å; L295-S298 PolarHBondContact O-OG 3.08Å
296	W	35.7	Very low	33.3	Very low	156 Å²	156	124.7 Å²	124.7	59%	0.591	65%	0.648	S	S	*	*	H	α-helix	trans	-69.1	-36.6	-178.4	-173	-99.4	0	0	0	114.5	G292 S298 S299 L300	G292-W296 PolarHBondContact O-N 2.72Å; W296-S298 PolarHBondContact O-N 2.98Å; W296-S298 VanDerWaalsContact O-N 3.08Å; W296-S299 PolarHBondContact O-N 2.85Å; W296-S299 PolarHBondContact O-OG 2.93Å; W296-S299 VanDerWaalsContact O-OG 3.12Å; W296-L300 VanDerWaalsContact NE1-CD1 3.33Å
297	K	30.1	Very low	33	Very low	174 Å²	174	122.6 Å²	122.6	76%	0.757	64%	0.644	S	S	*	*	H	α-helix	trans	-61.1	-22	178.8	-78.2	-173.4	179.2	-179.2	0	113.1
298	S	35.9	Very low	32.8	Very low	86 Å²	86	124.1 Å²	124.1	60%	0.601	65%	0.65	S	S	*	*	H	α-helix	trans	-74.1	-28.8	174.9	77.3	0	0	0	0	113.7	L295 W296	L295-S298 PolarHBondContact O-N 3.37Å; L295-S298 PolarHBondContact O-OG 3.08Å; W296-S298 PolarHBondContact O-N 2.98Å; W296-S298 VanDerWaalsContact O-N 3.08Å
299	S	36.1	Very low	32.3	Very low	58 Å²	58	127 Å²	127	41%	0.406	66%	0.656	S	S	.	*	H	α-helix	trans	-79.9	-26.4	-177.8	79.5	0	0	0	0	112.9	W296 G301 F302	W296-S299 PolarHBondContact O-N 2.85Å; W296-S299 PolarHBondContact O-OG 2.93Å; W296-S299 VanDerWaalsContact O-OG 3.12Å; S299-G301 PolarHBondContact O-N 3.41Å; S299-F302 PolarHBondContact O-N 3.42Å
300	L	33.9	Very low	31.8	Very low	73 Å²	73	131.2 Å²	131.2	38%	0.382	67%	0.673	S	S	.	*	G	3₁₀ helix	trans	-70.2	-14.4	179.2	-91.3	152.6	0	0	0	114.2	W296 F302 K303	W296-L300 VanDerWaalsContact NE1-CD1 3.33Å; L300-F302 PolarHBondContact O-N 3.04Å; L300-K303 HydrophobicContact CD2-CD 3.64Å; L300-K303 VanDerWaalsContact CD2-CE 3.47Å; L300-K303 HydrophobicContact CD2-CG 4.15Å; L300-K303 PolarHBondContact O-N 3.45Å
301	G	34	Very low	31.6	Very low	69 Å²	69	133.9 Å²	133.9	71%	0.711	68%	0.683	S	S	*	*	G	3₁₀ helix	trans	-61.6	-10.3	172.3	0	0	0	0	0	114.3	S299	S299-G301 PolarHBondContact O-N 3.41Å
302	F	32	Very low	31.3	Very low	188 Å²	188	135.3 Å²	135.3	83%	0.825	69%	0.692	S	S	*	*	G	3₁₀ helix	trans	-106.9	17.7	-179.9	-74	-80.4	0	0	0	114.6	S299 L300 R304	S299-F302 PolarHBondContact O-N 3.42Å; L300-F302 PolarHBondContact O-N 3.04Å; F302-R304 PolarHBondContact O-N 3.26Å; F302-R304 VanDerWaalsContact O-N 3.1Å
303	K	29.1	Very low	31.1	Very low	170 Å²	170	141.3 Å²	141.3	74%	0.739	71%	0.708	S	S	*	*			trans	-65.3	113.7	173.8	-98	-173.4	177.2	179.4	0	111.4	L300	L300-K303 HydrophobicContact CD2-CD 3.64Å; L300-K303 VanDerWaalsContact CD2-CE 3.47Å; L300-K303 HydrophobicContact CD2-CG 4.15Å; L300-K303 PolarHBondContact O-N 3.45Å
304	R	30.9	Very low	30.7	Very low	225 Å²	225	143.5 Å²	143.5	85%	0.849	72%	0.723	S	S	*	*			trans	-40.9	126.8	172.4	-67.5	173.6	173.7	174.3	-3	111.8	F302	F302-R304 PolarHBondContact O-N 3.26Å; F302-R304 VanDerWaalsContact O-N 3.1Å
305	Q	27.5	Very low	30.6	Very low	188 Å²	188	142.6 Å²	142.6	88%	0.879	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-64.3	124.2	156.5	-81.8	-170.9	-25.7	0	0	107.8	S307	Q305-S307 PolarHBondContact O-N 2.86Å
306	P	27.8	Very low	30.2	Very low	121 Å²	121	144.8 Å²	144.8	79%	0.786	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-66.9	124.4	179.6	26.3	-30.4	0	0	0	108.8	S308	P306-S308 PolarHBondContact O-N 3.06Å
307	S	28.4	Very low	29.7	Very low	99 Å²	99	143.6 Å²	143.6	69%	0.692	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-57.5	119.8	173.2	47.5	0	0	0	0	109.6	Q305 Y309	Q305-S307 PolarHBondContact O-N 2.86Å; S307-Y309 PolarHBondContact O-N 3.46Å
308	S	28.5	Very low	29.5	Very low	111 Å²	111	144 Å²	144	78%	0.776	76%	0.758	S	S	*	*			trans	-54.2	110.6	171.9	31.3	0	0	0	0	110.1	P306 I310	P306-S308 PolarHBondContact O-N 3.06Å; S308-I310 PolarHBondContact O-N 2.79Å; S308-I310 VanDerWaalsContact O-N 3.08Å
309	Y	25.9	Very low	29.1	Very low	230 Å²	230	145.9 Å²	145.9	90%	0.902	77%	0.767	S	S	*	*			trans	-62.1	104.9	170.9	-99.2	-98.9	0	0	0	108.9	S307 H311	S307-Y309 PolarHBondContact O-N 3.46Å; Y309-H311 PolarHBondContact O-N 3.34Å
310	I	29.3	Very low	28.7	Very low	139 Å²	139	148.1 Å²	148.1	71%	0.713	79%	0.789	S	S	*	*			trans	-78.4	111.2	167.7	-64.5	175.2	0	0	0	107	S308 N312	S308-I310 PolarHBondContact O-N 2.79Å; S308-I310 VanDerWaalsContact O-N 3.08Å; I310-N312 PolarHBondContact O-N 2.98Å
311	H	27.7	Very low	28.4	Very low	178 Å²	178	153.7 Å²	153.7	82%	0.824	81%	0.813	S	S	*	*			trans	-63.9	97.7	175.1	-131.8	-46.7	0	0	0	109.3	Y309 Q313	Y309-H311 PolarHBondContact O-N 3.34Å; H311-Q313 PolarHBondContact O-N 2.9Å; H311-Q313 VanDerWaalsContact O-N 3.08Å
312	N	28.1	Very low	27.9	Very low	148 Å²	148	155.6 Å²	155.6	79%	0.791	82%	0.816	S	S	*	*			trans	-77.1	91.2	170	-83.2	-20.4	0	0	0	108.9	I310 S314	I310-N312 PolarHBondContact O-N 2.98Å; N312-S314 PolarHBondContact O-N 3.3Å
313	Q	30.4	Very low	27.7	Very low	171 Å²	171	154.6 Å²	154.6	80%	0.799	82%	0.819	S	S	*	*			trans	-66.2	117.2	162.8	-85.7	-177.7	-15.9	0	0	109.1	H311 Q315	H311-Q313 PolarHBondContact O-N 2.9Å; H311-Q313 VanDerWaalsContact O-N 3.08Å; Q313-Q315 PolarHBondContact O-N 3.24Å
314	S	26.4	Very low	27.5	Very low	113 Å²	113	155.1 Å²	155.1	79%	0.79	82%	0.824	S	S	*	*			trans	-62.9	96.8	171.4	51.5	0	0	0	0	110.7	N312	N312-S314 PolarHBondContact O-N 3.3Å
315	Q	29.5	Very low	27.2	Very low	176 Å²	176	153 Å²	153	82%	0.822	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-83.4	120.2	163.4	-79.3	-171.4	-20	0	0	109.6	Q313 C317	Q313-Q315 PolarHBondContact O-N 3.24Å; Q315-C317 PolarHBondContact O-N 3.41Å
316	L	28.1	Very low	27.3	Very low	167 Å²	167	153.5 Å²	153.5	87%	0.874	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-50.8	121.5	171.7	-96	75.6	0	0	0	110.8	Q318	L316-Q318 PolarHBondContact O-N 3.11Å
317	C	23.4	Very low	27.1	Very low	132 Å²	132	156.8 Å²	156.8	89%	0.892	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-72.2	116.5	169.7	-65.5	0	0	0	0	110.6	Q315	Q315-C317 PolarHBondContact O-N 3.41Å
318	Q	26.1	Very low	26.9	Very low	183 Å²	183	160.3 Å²	160.3	86%	0.855	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-89.1	153.9	158.9	-80	-173.9	-11.6	0	0	110.5	L316	L316-Q318 PolarHBondContact O-N 3.11Å
319	P	28.5	Very low	26.8	Very low	124 Å²	124	162 Å²	162	81%	0.805	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-79.6	141.8	-159.7	13	-1	0	0	0	113.5	Q321	P319-Q321 PolarHBondContact O-N 3.36Å
320	A	27.7	Very low	26.8	Very low	105 Å²	105	162.7 Å²	162.7	87%	0.868	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-62.1	123.7	-175.6	0	0	0	0	0	113.4
321	Q	27.3	Very low	26.8	Very low	190 Å²	190	163 Å²	163	89%	0.888	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-89.3	129	156.1	-77.9	-173.6	-21.6	0	0	109.5	P319	P319-Q321 PolarHBondContact O-N 3.36Å
322	S	24	Very low	26.7	Very low	109 Å²	109	164.1 Å²	164.1	76%	0.762	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-57.5	127.3	174.4	51.7	0	0	0	0	112
323	N	27.7	Very low	26.5	Very low	168 Å²	168	166.3 Å²	166.3	90%	0.898	85%	0.845	S	S	*	*			trans	-148.6	125	143.6	-96.2	-26.3	0	0	0	110.2
324	Q	24.1	Very low	26.4	Very low	181 Å²	181	163.4 Å²	163.4	85%	0.846	84%	0.841	S	S	*	*			trans	-72.6	161.4	175.2	-69.7	175.5	-20.3	0	0	110.6
325	Q	25.8	Very low	26.4	Very low	181 Å²	181	165.2 Å²	165.2	85%	0.846	84%	0.842	S	S	*	*			trans	89	93	169.5	-53.5	-178.3	-2.7	0	0	116.1
326	Q	29.4	Very low	26.2	Very low	197 Å²	197	165 Å²	165	92%	0.921	84%	0.841	S	S	*	*				-164.3	110.4	118.7	-104.6	168.6	14.2	0	0	110.6
327	K	22.5	Very low	26.1	Very low	190 Å²	190	162.7 Å²	162.7	83%	0.826	83%	0.834	S	S	*	*			trans	-77.6	150.2	164.2	-94	176.3	173.6	176.2	0	108.8
328	Q	25.5	Very low	26.2	Very low	173 Å²	173	162.5 Å²	162.5	81%	0.808	83%	0.829	S	S	*	*			trans	73.8	101.1	157.5	-68.4	172.2	-13.8	0	0	117.8
329	N	26.4	Very low	26.1	Very low	148 Å²	148	161.7 Å²	161.7	79%	0.791	83%	0.825	S	S	*	*				-165.9	96.1	122.5	-95.2	-20.5	0	0	0	110.2	N331	N329-N331 PolarHBondContact O-N 3.01Å
330	Y	24.3	Very low	25.9	Very low	243 Å²	243	159.8 Å²	159.8	95%	0.953	82%	0.82	S	S	*	*			trans	-76.7	89.3	166.7	-99.1	-90.9	0	0	0	108.4
331	N	30.2	Very low	25.7	Very low	145 Å²	145	160.9 Å²	160.9	78%	0.775	82%	0.816	S	S	*	*			trans	-88.1	112.2	167.4	-84.2	-15.8	0	0	0	109.7	N329	N329-N331 PolarHBondContact O-N 3.01Å
332	K	25.3	Very low	25.7	Very low	203 Å²	203	157.7 Å²	157.7	88%	0.883	81%	0.81	S	S	*	*			trans	-50.7	135.5	170.2	-104.4	172.6	172	175	0	110.9
333	F	25	Very low	25.8	Very low	193 Å²	193	156.6 Å²	156.6	85%	0.846	81%	0.807	S	S	*	*			trans	-44.7	133.5	171.9	-77.4	-94.7	0	0	0	113.6	N335	F333-N335 PolarHBondContact O-N 3.37Å
334	P	27.2	Very low	25.7	Very low	110 Å²	110	151.5 Å²	151.5	71%	0.714	79%	0.788	S	S	*	*			trans	-77.9	119.6	162.4	30	-26.7	0	0	0	109.1	Q336	P334-Q336 PolarHBondContact O-N 3.1Å
335	N	26.3	Very low	25.7	Very low	151 Å²	151	149.2 Å²	149.2	81%	0.807	79%	0.787	S	S	*	*			trans	-63.3	93.2	168.9	-74.8	-22.7	0	0	0	109.5	F333 T337	F333-N335 PolarHBondContact O-N 3.37Å; N335-T337 PolarHBondContact O-N 3.44Å
336	Q	26.1	Very low	25.7	Very low	171 Å²	171	146.7 Å²	146.7	80%	0.799	78%	0.775	S	S	*	*			trans	-84.7	89	161.6	-78.4	-172.6	-8.4	0	0	108.4	P334 T338	P334-Q336 PolarHBondContact O-N 3.1Å; Q336-T338 VanDerWaalsContact C-N 3.26Å; Q336-T338 PolarHBondContact O-N 3.22Å; Q336-T338 PolarHBondContact O-OG1 3.44Å
337	T	25.7	Very low	25.5	Very low	120 Å²	120	140.7 Å²	140.7	74%	0.736	77%	0.765	S	S	*	*			trans	-65.8	88.2	164.5	-28.5	0	0	0	0	107.3	N335 Q339	N335-T337 PolarHBondContact O-N 3.44Å; T337-Q339 VanDerWaalsContact C-N 3.25Å; T337-Q339 PolarHBondContact O-N 3.05Å
338	T	24.3	Very low	25.6	Very low	128 Å²	128	139.9 Å²	139.9	79%	0.785	76%	0.758	S	S	*	*			trans	-71.5	90.3	171	-7.5	0	0	0	0	107.1	Q336 A340	Q336-T338 VanDerWaalsContact C-N 3.26Å; Q336-T338 PolarHBondContact O-N 3.22Å; Q336-T338 PolarHBondContact O-OG1 3.44Å; T338-A340 PolarHBondContact O-N 3.39Å
339	Q	24.3	Very low	25.6	Very low	165 Å²	165	139.2 Å²	139.2	77%	0.771	76%	0.759	S	S	*	*			trans	-62.7	93.7	158.7	-72.9	-178.4	-10.3	0	0	106	T337 T341	T337-Q339 VanDerWaalsContact C-N 3.25Å; T337-Q339 PolarHBondContact O-N 3.05Å; Q339-T341 PolarHBondContact O-N 3.4Å; Q339-T341 PolarHBondContact O-OG1 3.24Å
340	A	25	Very low	25.4	Very low	85 Å²	85	139.3 Å²	139.3	70%	0.702	75%	0.754	S	S	*	*			trans	-69	86.5	165.2	0	0	0	0	0	106.7	T338 V342	T338-A340 PolarHBondContact O-N 3.39Å; A340-V342 PolarHBondContact O-N 2.89Å
341	T	24.3	Very low	25.5	Very low	127 Å²	127	131.7 Å²	131.7	78%	0.779	74%	0.736	S	S	*	*			trans	-60.3	92.3	163.8	-34.5	0	0	0	0	105.8	Q339 A343	Q339-T341 PolarHBondContact O-N 3.4Å; Q339-T341 PolarHBondContact O-OG1 3.24Å; T341-A343 VanDerWaalsContact C-N 3.31Å; T341-A343 PolarHBondContact O-N 3.13Å
342	V	26.3	Very low	25.3	Very low	124 Å²	124	128.8 Å²	128.8	75%	0.752	73%	0.728	S	S	*	*			trans	-60.7	103.6	168.8	175.6	0	0	0	0	105.1	A340 A344	A340-V342 PolarHBondContact O-N 2.89Å; V342-A344 PolarHBondContact O-N 2.84Å
343	A	25.3	Very low	25.3	Very low	85 Å²	85	128.4 Å²	128.4	70%	0.702	72%	0.722	S	S	*	*			trans	-61.9	84.6	164	0	0	0	0	0	106.3	T341 T345	T341-A343 VanDerWaalsContact C-N 3.31Å; T341-A343 PolarHBondContact O-N 3.13Å; A343-T345 PolarHBondContact O-N 2.86Å
344	A	25.8	Very low	25.2	Very low	61 Å²	61	126.1 Å²	126.1	50%	0.504	72%	0.719	S	S	.	*			trans	-61.8	94.5	163.6	0	0	0	0	0	105.3	V342 H346	V342-A344 PolarHBondContact O-N 2.84Å; A344-H346 PolarHBondContact O-N 2.95Å; A344-H346 PolarHBondContact O-ND1 3.22Å
345	T	25.7	Very low	25.1	Very low	134 Å²	134	128.4 Å²	128.4	82%	0.822	72%	0.724	S	S	*	*			trans	-56	95.5	160.1	38.4	0	0	0	0	105.7	A343 G347	A343-T345 PolarHBondContact O-N 2.86Å; T345-G347 PolarHBondContact O-N 3.06Å
346	H	25.7	Very low	25.1	Very low	128 Å²	128	125.2 Å²	125.2	59%	0.593	71%	0.713	S	S	*	*			trans	-66.5	81.5	175.1	-82.2	66.9	0	0	0	107.6	A344 Y348	A344-H346 PolarHBondContact O-N 2.95Å; A344-H346 PolarHBondContact O-ND1 3.22Å; H346-Y348 HydrophobicContact CB-CD2 3.66Å; H346-Y348 HydrophobicContact CB-CE2 3.7Å; H346-Y348 AromaticContact CD2-CD2 3.95Å; H346-Y348 AromaticContact CD2-CE2 3.17Å; H346-Y348 WeakPolarHBondContact CD2-CE2 3.43Å; H346-Y348 AromaticContact CD2-CZ 3.41Å; H346-Y348 VanDerWaalsContact CD2-CZ 3.41Å; H346-Y348 PolarHBondContact CD2-OH 3.23Å; H346-Y348 AromaticContact CG-CE2 3.76Å; H346-Y348 PolarHBondContact O-N 3.36Å
347	G	24	Very low	25.1	Very low	70 Å²	70	122.2 Å²	122.2	72%	0.722	71%	0.711	S	S	*	*			trans	-68.3	74.7	155.3	0	0	0	0	0	107.7	T345 I349	T345-G347 PolarHBondContact O-N 3.06Å; G347-I349 PolarHBondContact O-N 3.38Å
348	Y	25.9	Very low	25.3	Very low	173 Å²	173	122.1 Å²	122.1	68%	0.678	71%	0.711	S	S	*	*			trans	-62.5	93.3	165.1	-82.8	-76.7	0	0	0	106.9	H346 H350	H346-Y348 HydrophobicContact CB-CD2 3.66Å; H346-Y348 HydrophobicContact CB-CE2 3.7Å; H346-Y348 AromaticContact CD2-CD2 3.95Å; H346-Y348 AromaticContact CD2-CE2 3.17Å; H346-Y348 WeakPolarHBondContact CD2-CE2 3.43Å; H346-Y348 AromaticContact CD2-CZ 3.41Å; H346-Y348 VanDerWaalsContact CD2-CZ 3.41Å; H346-Y348 PolarHBondContact CD2-OH 3.23Å; H346-Y348 AromaticContact CG-CE2 3.76Å; H346-Y348 PolarHBondContact O-N 3.36Å; Y348-H350 PolarHBondContact O-N 3.02Å
349	I	23.6	Very low	25.4	Very low	160 Å²	160	127.1 Å²	127.1	82%	0.821	72%	0.715	S	S	*	*			trans	-67.4	87.4	152.7	-61	176.2	0	0	0	104.4	G347 S351	G347-I349 PolarHBondContact O-N 3.38Å; I349-S351 PolarHBondContact O-N 3.34Å
350	H	23.8	Very low	25.6	Very low	150 Å²	150	126.8 Å²	126.8	69%	0.694	72%	0.719	S	S	*	*			trans	-66.9	88.7	168.7	-132	-95.2	0	0	0	105.6	Y348 S352	Y348-H350 PolarHBondContact O-N 3.02Å; H350-S352 PolarHBondContact O-N 2.91Å
351	S	25.4	Very low	25.8	Very low	82 Å²	82	127.9 Å²	127.9	57%	0.573	72%	0.721	S	S	*	*			trans	-69.6	74	155.9	64.4	0	0	0	0	106	I349 Y353	I349-S351 PolarHBondContact O-N 3.34Å; S351-Y353 PolarHBondContact O-N 3.28Å
352	S	26.3	Very low	26.1	Very low	85 Å²	85	133.2 Å²	133.2	59%	0.594	73%	0.727	S	S	*	*			trans	-64.9	96.3	165	47.2	0	0	0	0	105.6	H350 N354	H350-S352 PolarHBondContact O-N 2.91Å; S352-N354 VanDerWaalsContact C-N 3.3Å; S352-N354 PolarHBondContact O-N 2.99Å
353	Y	24.9	Very low	26	Very low	194 Å²	194	139.1 Å²	139.1	76%	0.761	74%	0.736	S	S	*	*			trans	-52.2	107.9	156.8	-72.1	-87.3	0	0	0	105.3	S351 L355	S351-Y353 PolarHBondContact O-N 3.28Å; Y353-L355 PolarHBondContact O-N 2.89Å
354	N	23.5	Very low	26.2	Very low	146 Å²	146	145.8 Å²	145.8	78%	0.781	74%	0.743	S	S	*	*			trans	-69.1	84.8	176.4	-144.7	-5.4	0	0	0	105.2	S352 S356	S352-N354 VanDerWaalsContact C-N 3.3Å; S352-N354 PolarHBondContact O-N 2.99Å; N354-S356 PolarHBondContact O-N 2.89Å
355	L	24.1	Very low	26.2	Very low	157 Å²	157	152.7 Å²	152.7	82%	0.822	76%	0.761	S	S	*	*			trans	-70.4	70.3	164.2	-119	103.3	0	0	0	105.4	Y353 S357	Y353-L355 PolarHBondContact O-N 2.89Å; L355-S357 PolarHBondContact O-N 3.38Å
356	S	27	Very low	26.3	Very low	84 Å²	84	154.7 Å²	154.7	59%	0.587	76%	0.759	S	S	*	*			trans	-65.4	89.8	167.1	56.8	0	0	0	0	106	N354 T358	N354-S356 PolarHBondContact O-N 2.89Å; S356-T358 PolarHBondContact O-N 3.12Å
357	S	26.9	Very low	26.5	Very low	108 Å²	108	154.3 Å²	154.3	76%	0.755	77%	0.768	S	S	*	*			trans	-69.3	61.5	166.9	59.6	0	0	0	0	109.1	L355 R359	L355-S357 PolarHBondContact O-N 3.38Å; S357-R359 PolarHBondContact O-N 3.25Å
358	T	28.9	Very low	26.7	Very low	118 Å²	118	156.1 Å²	156.1	72%	0.724	77%	0.769	S	S	*	*			trans	-78.7	80.7	162.9	44.9	0	0	0	0	107.9	S356 N360	S356-T358 PolarHBondContact O-N 3.12Å; T358-N360 VanDerWaalsContact C-N 3.31Å; T358-N360 PolarHBondContact O-N 2.88Å
359	R	26.5	Very low	26.9	Very low	234 Å²	234	154.9 Å²	154.9	88%	0.883	77%	0.77	S	S	*	*			trans	-37	86.8	159.2	-175.7	-177.7	-177.6	168.4	0.3	111.1	S357	S357-R359 PolarHBondContact O-N 3.25Å
360	N	29.7	Very low	27.2	Very low	158 Å²	158	154.4 Å²	154.4	85%	0.845	77%	0.767	S	S	*	*			trans	-110.1	94.3	162.5	-98	-18.6	0	0	0	109.3	T358 R362	T358-N360 VanDerWaalsContact C-N 3.31Å; T358-N360 PolarHBondContact O-N 2.88Å; N360-R362 PolarHBondContact O-N 3Å
361	S	27.8	Very low	27.5	Very low	107 Å²	107	154.9 Å²	154.9	75%	0.748	76%	0.764	S	S	*	*			trans	-64.4	96	173.2	56.8	0	0	0	0	110.8
362	R	30.7	Very low	27.9	Very low	239 Å²	239	154.6 Å²	154.6	90%	0.902	76%	0.759	S	S	*	*			trans	-128.4	90.7	153.4	-77.6	-170.9	179.1	173.3	0.5	109.2	N360 R364	N360-R362 PolarHBondContact O-N 3Å; R362-R364 PolarHBondContact O-N 3.32Å; R362-R364 VanDerWaalsContact O-N 3.09Å
363	R	25.3	Very low	28.2	Very low	249 Å²	249	158.8 Å²	158.8	94%	0.94	77%	0.774	S	S	*	*			trans	-48	109.9	168	-72.5	176.2	173.3	173.2	-2.4	109.5
364	R	29.2	Very low	28.9	Very low	224 Å²	224	158.4 Å²	158.4	85%	0.845	78%	0.777	S	S	*	*			trans	-120.3	106.1	153	-75.4	-171.3	175.9	176.2	-0.7	107.1	R362 F366	R362-R364 PolarHBondContact O-N 3.32Å; R362-R364 VanDerWaalsContact O-N 3.09Å; R364-F366 PolarHBondContact O-N 3.29Å
365	K	25.6	Very low	29.7	Very low	206 Å²	206	157 Å²	157	90%	0.896	77%	0.769	S	S	*	*			trans	-64	108	174.8	-73.4	177.2	174.1	-179.3	0	108
366	F	28.4	Very low	30.1	Very low	176 Å²	176	157 Å²	157	77%	0.772	76%	0.762	S	S	*	*			trans	-116.7	128.8	154.9	-82.2	-77.9	0	0	0	107.5	R364 S368	R364-F366 PolarHBondContact O-N 3.29Å; F366-S368 PolarHBondContact O-N 2.97Å
367	P	28.6	Very low	30.6	Very low	121 Å²	121	158.1 Å²	158.1	79%	0.786	77%	0.768	S	S	*	*			trans	-68.4	117.1	-176	28.1	-31.2	0	0	0	108.8	Q369	P367-Q369 PolarHBondContact O-N 3.44Å
368	S	28.7	Very low	31	Very low	107 Å²	107	158.9 Å²	158.9	75%	0.748	76%	0.763	S	S	*	*			trans	-71.7	93.3	176.6	53.5	0	0	0	0	109.8	F366 I370	F366-S368 PolarHBondContact O-N 2.97Å; S368-I370 PolarHBondContact O-N 2.93Å
369	Q	29.2	Very low	31.2	Very low	148 Å²	148	157 Å²	157	69%	0.692	76%	0.76	S	S	*	*			trans	-73.5	111.4	155.7	-85.2	177.8	-23	0	0	107.5	P367 Y371	P367-Q369 PolarHBondContact O-N 3.44Å; Q369-Y371 HydrophobicContact CB-CE2 4.02Å; Q369-Y371 VanDerWaalsContact O-CD2 3.31Å; Q369-Y371 WeakPolarHBondContact O-CD2 3.45Å; Q369-Y371 PolarHBondContact O-N 3.24Å; Q369-Y371 VanDerWaalsContact O-N 3.14Å; Q369-Y371 PolarHBondContact OE1-OH 3.41Å
370	I	31.5	Very low	31.5	Very low	149 Å²	149	154.7 Å²	154.7	76%	0.764	76%	0.756	S	S	*	*			trans	-72.9	101.3	175.1	-62.3	170.4	0	0	0	106.7	S368 T372	S368-I370 PolarHBondContact O-N 2.93Å; I370-T372 PolarHBondContact O-N 3.26Å
371	Y	29.8	Very low	31.5	Very low	161 Å²	161	156.6 Å²	156.6	63%	0.631	75%	0.753	S	S	*	*			trans	-77	112.8	168.5	-69.3	-84.5	0	0	0	107.9	Q369	Q369-Y371 HydrophobicContact CB-CE2 4.02Å; Q369-Y371 VanDerWaalsContact O-CD2 3.31Å; Q369-Y371 WeakPolarHBondContact O-CD2 3.45Å; Q369-Y371 PolarHBondContact O-N 3.24Å; Q369-Y371 VanDerWaalsContact O-N 3.14Å; Q369-Y371 PolarHBondContact OE1-OH 3.41Å
372	T	33.7	Very low	31.6	Very low	75 Å²	75	154.9 Å²	154.9	46%	0.46	74%	0.741	S	S	.	*			trans	-75.7	139.5	168.9	70.1	0	0	0	0	108.7	I370 F374 D375	I370-T372 PolarHBondContact O-N 3.26Å; T372-F374 PolarHBondContact O-N 2.88Å; T372-D375 PolarHBondContact O-N 3.42Å; T372-D375 PolarHBondContact OG1-OD2 3.24Å
373	L	33.3	Very low	31.6	Very low	173 Å²	173	148.2 Å²	148.2	91%	0.906	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.6	-4.8	-172.8	-156.4	79	0	0	0	114.2
374	F	38.9	Very low	31.9	Very low	187 Å²	187	141.3 Å²	141.3	82%	0.82	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	-10.3	-177.6	-68.2	-75.2	0	0	0	114.5	T372	T372-F374 PolarHBondContact O-N 2.88Å
375	D	39.2	Very low	32.1	Very low	117 Å²	117	136.5 Å²	136.5	63%	0.626	72%	0.717	S	S	*	*	S	Bend	trans	-91.4	3.3	-172.1	-71.1	-35.3	0	0	0	115.1	T372	T372-D375 PolarHBondContact O-N 3.42Å; T372-D375 PolarHBondContact OG1-OD2 3.24Å
376	K	32.5	Very low	32.6	Very low	156 Å²	156	132.6 Å²	132.6	68%	0.678	71%	0.711	S	S	*	*			trans	-133.3	92.8	174.5	-70.8	-169.6	179.1	179.5	0	112.2	D378	K376-D378 PolarHBondContact O-N 3.05Å
377	P	39.1	Very low	32.7	Very low	108 Å²	108	131.8 Å²	131.8	70%	0.701	72%	0.715	S	S	*	*	G	3₁₀ helix	trans	-65.3	-14.4	-178.9	-18.5	30.5	0	0	0	115.2
378	D	34.7	Very low	32.8	Very low	124 Å²	124	132.2 Å²	132.2	66%	0.663	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-96	-1.8	-164.4	-56.2	-25.6	0	0	0	114.4	K376 S382	K376-D378 PolarHBondContact O-N 3.05Å; D378-S382 WeakPolarHBondContact O-CB 3.13Å; D378-S382 PolarHBondContact O-N 2.67Å; D378-S382 PolarHBondContact O-OG 3.21Å
379	A	32.5	Very low	32.8	Very low	78 Å²	78	133 Å²	133	65%	0.645	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-76.3	-21.5	-177.1	0	0	0	0	0	113.8
380	F	32.8	Very low	33.1	Very low	186 Å²	186	131.6 Å²	131.6	82%	0.816	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	-13.8	-175.9	-112.1	-85.2	0	0	0	115.1
381	Y	29.8	Very low	32.9	Very low	197 Å²	197	132.6 Å²	132.6	77%	0.773	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.6	0.1	-177.7	-70.9	-75.5	0	0	0	115.5	A383	Y381-A383 PolarHBondContact O-N 2.98Å
382	S	29.8	Very low	33	Very low	71 Å²	71	132.8 Å²	132.8	50%	0.497	72%	0.718	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.6	-6.4	175.6	48.4	0	0	0	0	114.3	D378 S384	D378-S382 WeakPolarHBondContact O-CB 3.13Å; D378-S382 PolarHBondContact O-N 2.67Å; D378-S382 PolarHBondContact O-OG 3.21Å; S382-S384 VanDerWaalsContact C-N 3.29Å; S382-S384 PolarHBondContact O-N 3.04Å
383	A	30.1	Very low	32.6	Very low	100 Å²	100	135.7 Å²	135.7	83%	0.826	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	7.4	179.9	0	0	0	0	0	115.5	Y381	Y381-A383 PolarHBondContact O-N 2.98Å
384	S	33.2	Very low	32.4	Very low	104 Å²	104	135.7 Å²	135.7	73%	0.727	73%	0.732	S	S	*	*	S	Bend	trans	-140.2	-4.8	-177.8	-177	0	0	0	0	116.9	S382	S382-S384 VanDerWaalsContact C-N 3.29Å; S382-S384 PolarHBondContact O-N 3.04Å
385	L	32.3	Very low	31.8	Very low	122 Å²	122	132.2 Å²	132.2	64%	0.639	73%	0.728	S	S	*	*	S	Bend	trans	-111.3	-1.2	-178.2	-94.7	104.6	0	0	0	116.6	N387 L388	L385-N387 PolarHBondContact O-N 3.03Å; L385-L388 HydrophobicContact CD2-CD1 4.04Å; L385-L388 HydrophobicContact CG-CD1 4.31Å; L385-L388 PolarHBondContact O-N 2.97Å
386	T	35.6	Very low	31.3	Very low	124 Å²	124	136.8 Å²	136.8	76%	0.761	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	-6.6	179	38.8	0	0	0	0	114.8
387	N	32.1	Very low	31.1	Very low	160 Å²	160	136.7 Å²	136.7	86%	0.856	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.5	7.7	175.6	-83.2	-8.2	0	0	0	115	L385 N389	L385-N387 PolarHBondContact O-N 3.03Å; N387-N389 PolarHBondContact O-N 3.01Å
388	L	30.3	Very low	30.4	Very low	129 Å²	129	134.8 Å²	134.8	68%	0.675	75%	0.75	S	S	*	*	S	Bend	trans	-86.1	96.8	169.6	-73.6	166.6	0	0	0	109.4	L385 P390	L385-L388 HydrophobicContact CD2-CD1 4.04Å; L385-L388 HydrophobicContact CG-CD1 4.31Å; L385-L388 PolarHBondContact O-N 2.97Å; L388-P390 WeakPolarHBondContact O-CD 3.41Å
389	N	28.1	Very low	30	Very low	125 Å²	125	140.1 Å²	140.1	67%	0.668	76%	0.762	S	S	*	*			trans	-45.6	113.7	179.1	-163.9	-7.5	0	0	0	111.5	N387 K391	N387-N389 PolarHBondContact O-N 3.01Å; N389-K391 PolarHBondContact O-N 2.83Å
390	P	36	Very low	29.9	Very low	118 Å²	118	146.1 Å²	146.1	77%	0.766	77%	0.774	S	S	*	*			trans	-83.5	86	-176.3	33	-31.1	0	0	0	108.8	L388	L388-P390 WeakPolarHBondContact O-CD 3.41Å
391	K	27.2	Very low	29.5	Very low	169 Å²	169	147.5 Å²	147.5	74%	0.735	78%	0.779	S	S	*	*			trans	-115.6	130.7	163.4	-76.9	-173	177.8	179.4	0	109.6	N389	N389-K391 PolarHBondContact O-N 2.83Å
392	I	31	Very low	29.3	Very low	165 Å²	165	143.5 Å²	143.5	85%	0.846	78%	0.78	S	S	*	*			trans	88.2	66.5	172.8	-40.9	163.2	0	0	0	114.5
393	T	26.3	Very low	29.1	Very low	136 Å²	136	146 Å²	146	83%	0.834	79%	0.792	S	S	*	*			trans	-123.6	89.2	148.7	33.4	0	0	0	0	108.3
394	Q	28.1	Very low	28.9	Very low	174 Å²	174	148.1 Å²	148.1	81%	0.813	79%	0.79	S	S	*	*			trans	-83.5	130.5	162.8	-79.8	-170.3	-12.1	0	0	109	F396	Q394-F396 PolarHBondContact O-N 3.32Å
395	P	27.5	Very low	28.7	Very low	113 Å²	113	148.1 Å²	148.1	73%	0.734	79%	0.79	S	S	*	*			trans	-81.4	116.1	-173	31.2	-31.3	0	0	0	110.6	N397	P395-N397 PolarHBondContact O-N 3.08Å
396	F	27.9	Very low	28.3	Very low	214 Å²	214	150.2 Å²	150.2	94%	0.939	80%	0.801	S	S	*	*			trans	-77.8	109.1	166.2	-100.8	-88.8	0	0	0	109.5	Q394	Q394-F396 PolarHBondContact O-N 3.32Å
397	N	28.1	Very low	27.7	Very low	153 Å²	153	155.4 Å²	155.4	82%	0.818	81%	0.807	S	S	*	*			trans	-67.9	126.2	175.1	-93.9	-25.1	0	0	0	112	P395	P395-N397 PolarHBondContact O-N 3.08Å
398	G	25.3	Very low	27.4	Very low	69 Å²	69	151.8 Å²	151.8	71%	0.711	80%	0.799	S	S	*	*			trans	54.1	99.8	135.2	0	0	0	0	0	119.5
399	Y	26.2	Very low	27.2	Very low	235 Å²	235	155.9 Å²	155.9	92%	0.922	81%	0.807	S	S	*	*			trans	-124.9	114.2	148.3	-107.4	-95	0	0	0	110
400	K	29.2	Very low	27	Very low	205 Å²	205	154.7 Å²	154.7	89%	0.891	81%	0.809	S	S	*	*			trans	-65.2	131.1	175.3	-85.8	176.2	171.2	176.3	0	109.9	S402	K400-S402 PolarHBondContact O-N 3.34Å
401	K	26	Very low	26.5	Very low	214 Å²	214	158.7 Å²	158.7	93%	0.93	81%	0.814	S	S	*	*			trans	-65.8	115.9	170.6	-79.6	176.7	172.3	176.8	0	110.4
402	S	25.4	Very low	26.4	Very low	114 Å²	114	159.9 Å²	159.9	80%	0.797	82%	0.815	S	S	*	*			trans	-100.9	125.4	154.6	58.6	0	0	0	0	108.9	K400	K400-S402 PolarHBondContact O-N 3.34Å
403	T	25.5	Very low	26.3	Very low	122 Å²	122	157.4 Å²	157.4	75%	0.748	81%	0.81	S	S	*	*			trans	-62.8	128.1	166.9	40.2	0	0	0	0	110.6
404	D	26.3	Very low	26.2	Very low	145 Å²	145	158.9 Å²	158.9	78%	0.775	81%	0.811	S	S	*	*				166	135.3	122.3	-83.3	-21.4	0	0	0	113.2
405	S	27.8	Very low	26.1	Very low	105 Å²	105	159.7 Å²	159.7	73%	0.734	81%	0.811	S	S	*	*			trans	68.3	105.7	150.1	63.7	0	0	0	0	121.1
406	L	23.6	Very low	26	Very low	165 Å²	165	159.2 Å²	159.2	86%	0.864	81%	0.811	S	S	*	*				42.3	117.1	116.3	-81.2	142.5	0	0	0	119.4
407	R	23.7	Very low	25.9	Very low	234 Å²	234	158.5 Å²	158.5	88%	0.883	81%	0.807	S	S	*	*				135	128.6	120.4	-169.3	174.8	-81.6	170.5	-4.6	113.5
408	A	26.4	Very low	25.7	Very low	84 Å²	84	155.8 Å²	155.8	69%	0.694	80%	0.801	S	S	*	*			trans	68.4	86.3	160.4	0	0	0	0	0	118.5	S410	A408-S410 PolarHBondContact O-N 3.42Å; A408-S410 VanDerWaalsContact O-N 3.17Å
409	Y	25.4	Very low	25.6	Very low	215 Å²	215	157.6 Å²	157.6	84%	0.843	80%	0.802	S	S	*	*			trans	-77.4	93.6	157.6	-83.2	-84.8	0	0	0	109.9	Y412	Y409-Y412 HydrophobicContact CD1-CE2 4.12Å
410	S	24.9	Very low	25.6	Very low	100 Å²	100	153.6 Å²	153.6	70%	0.699	80%	0.796	S	S	*	*			trans	-90	130	167.2	60.2	0	0	0	0	111	A408	A408-S410 PolarHBondContact O-N 3.42Å; A408-S410 VanDerWaalsContact O-N 3.17Å
411	K	25.3	Very low	25.3	Very low	202 Å²	202	151.8 Å²	151.8	88%	0.878	80%	0.795	S	S	*	*			trans	47.9	91.5	154.2	-72.9	-179.8	175.5	177.6	0	117.1
412	Y	25.4	Very low	25.2	Very low	193 Å²	193	146.3 Å²	146.3	76%	0.757	78%	0.783	S	S	*	*			trans	-73.8	128.3	155.9	-81.8	-86.3	0	0	0	110.2	Y409	Y409-Y412 HydrophobicContact CD1-CE2 4.12Å
413	P	27.9	Very low	25.2	Very low	114 Å²	114	145.8 Å²	145.8	74%	0.74	78%	0.78	S	S	*	*			trans	-82.3	138	-179.8	32.3	-31.1	0	0	0	111.1	K415	P413-K415 PolarHBondContact O-N 2.72Å
414	I	24.6	Very low	25.4	Very low	166 Å²	166	148.3 Å²	148.3	85%	0.851	78%	0.783	S	S	*	*			trans	-56	112.4	174.6	-60.1	159.4	0	0	0	109.1
415	K	26.1	Very low	25.5	Very low	191 Å²	191	148 Å²	148	83%	0.83	79%	0.787	S	S	*	*			trans	-108	96.7	163.2	-93.8	-175.2	176	178	0	108.8	P413 K417	P413-K415 PolarHBondContact O-N 2.72Å; K415-K417 PolarHBondContact O-N 3.24Å
416	S	24.6	Very low	25.6	Very low	104 Å²	104	148.5 Å²	148.5	73%	0.727	79%	0.785	S	S	*	*			trans	-59.2	111.5	160.9	51.5	0	0	0	0	109.4
417	K	27.2	Very low	26	Very low	198 Å²	198	146.2 Å²	146.2	86%	0.861	77%	0.773	S	S	*	*			trans	-110.2	82.2	162.7	-89.5	-172.8	172.4	-174.5	0	108.5	K415	K415-K417 PolarHBondContact O-N 3.24Å
418	S	23	Very low	26.5	Very low	97 Å²	97	143.2 Å²	143.2	68%	0.678	77%	0.767	S	S	*	*			trans	-76.6	154.7	144.4	51.4	0	0	0	0	108.5
419	S	24.2	Very low	26.8	Very low	106 Å²	106	144.9 Å²	144.9	74%	0.741	76%	0.764	S	S	*	*			trans	85.7	130.5	-178.8	87.2	0	0	0	0	113.5
420	L	25	Very low	27.3	Very low	152 Å²	152	141.8 Å²	141.8	80%	0.796	76%	0.757	S	S	*	*			cis	-150.6	130.4	6.2	-95.4	125.9	0	0	0	106.5	S422	L420-S422 PolarHBondContact O-N 3.4Å; L420-S422 VanDerWaalsContact O-N 3.15Å
421	I	24.2	Very low	27.8	Very low	167 Å²	167	141.6 Å²	141.6	86%	0.856	75%	0.747	S	S	*	*			trans	-73.5	97.3	160.4	-65.4	167.5	0	0	0	104.9	S423	I421-S423 PolarHBondContact O-N 2.93Å
422	S	23.9	Very low	28.2	Very low	98 Å²	98	136.8 Å²	136.8	69%	0.685	73%	0.731	S	S	*	*			trans	-80.2	106.6	166.2	51.2	0	0	0	0	107.7	L420 E424	L420-S422 PolarHBondContact O-N 3.4Å; L420-S422 VanDerWaalsContact O-N 3.15Å; S422-E424 PolarHBondContact O-N 3.38Å; S422-E424 VanDerWaalsContact O-N 3.09Å
423	S	24.6	Very low	28.7	Very low	104 Å²	104	135 Å²	135	73%	0.727	73%	0.73	S	S	*	*			trans	-59.4	99.7	168.7	17.1	0	0	0	0	110	I421 T425	I421-S423 PolarHBondContact O-N 2.93Å; S423-T425 PolarHBondContact O-N 3.06Å; S423-T425 VanDerWaalsContact O-N 3.17Å
424	E	28.7	Very low	29	Very low	175 Å²	175	135.1 Å²	135.1	82%	0.818	72%	0.724	S	S	*	*			trans	-74.1	98.4	163.7	-79.2	-177.8	159.6	0	0	108.6	S422 V426	S422-E424 PolarHBondContact O-N 3.38Å; S422-E424 VanDerWaalsContact O-N 3.09Å; E424-V426 PolarHBondContact O-N 2.72Å
425	T	28.6	Very low	29.7	Very low	139 Å²	139	131.4 Å²	131.4	85%	0.853	70%	0.704	S	S	*	*			trans	-63.1	96.3	162.9	25.3	0	0	0	0	109.1	S423 N427	S423-T425 PolarHBondContact O-N 3.06Å; S423-T425 VanDerWaalsContact O-N 3.17Å; T425-N427 PolarHBondContact O-N 3.36Å
426	V	30.9	Very low	30.2	Very low	114 Å²	114	127.9 Å²	127.9	69%	0.691	70%	0.695	S	S	*	*			trans	-65	113.9	171.2	176	0	0	0	0	108.8	E424 K428	E424-V426 PolarHBondContact O-N 2.72Å; V426-K428 PolarHBondContact O-N 3.02Å
427	N	31.7	Very low	30.9	Very low	118 Å²	118	125.9 Å²	125.9	63%	0.631	68%	0.681	S	S	*	*			trans	-72.1	110.2	-177.6	-165.4	-0.2	0	0	0	109.8	T425 N429 Q430	T425-N427 PolarHBondContact O-N 3.36Å; N427-N429 PolarHBondContact O-N 3.03Å; N427-Q430 PolarHBondContact O-N 3.19Å
428	K	34.4	Very low	31.2	Very low	171 Å²	171	121.7 Å²	121.7	74%	0.743	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.1	-9	-172.2	-86.7	-177.5	173.1	-178.7	0	115.8	V426	V426-K428 PolarHBondContact O-N 3.02Å
429	N	32.7	Very low	31.8	Very low	118 Å²	118	122.1 Å²	122.1	63%	0.631	66%	0.661	S	S	*	*	H	α-helix	trans	-83.4	-19.3	-176.1	-66.2	-4.9	0	0	0	113.9	N427 I431	N427-N429 PolarHBondContact O-N 3.03Å; N429-I431 VanDerWaalsContact C-N 3.35Å
430	Q	34.8	Very low	32.4	Very low	150 Å²	150	121.1 Å²	121.1	70%	0.701	65%	0.654	S	S	*	*	H	α-helix	trans	-77.3	-18.8	177.3	-96.4	-177.9	-14.5	0	0	114	N427	N427-Q430 PolarHBondContact O-N 3.19Å
431	I	36.8	Very low	32.8	Very low	96 Å²	96	117.9 Å²	117.9	49%	0.492	65%	0.645	S	S	.	*	H	α-helix	trans	-78.4	-32.2	179.5	-65.7	176.5	0	0	0	110.9	N429 I435	N429-I431 VanDerWaalsContact C-N 3.35Å; I431-I435 HydrophobicContact CG2-CD1 3.97Å; I431-I435 WeakPolarHBondContact O-CG1 3.48Å; I431-I435 PolarHBondContact O-N 2.92Å
432	N	33.6	Very low	33.1	Very low	102 Å²	102	114.1 Å²	114.1	55%	0.545	63%	0.633	S	S	.	*	H	α-helix	trans	-76.3	-33.2	-178	-70.9	-5.1	0	0	0	112.9	L434 I435 D436	N432-L434 VanDerWaalsContact C-N 3.34Å; N432-L434 PolarHBondContact O-N 2.85Å; N432-I435 PolarHBondContact O-N 3.42Å; N432-D436 PolarHBondContact O-N 3.04Å
433	E	35.1	Very low	33.5	Very low	155 Å²	155	116.2 Å²	116.2	72%	0.724	64%	0.636	S	S	*	*	H	α-helix	trans	-71.6	-26.7	176.4	-77.1	-173.9	161.1	0	0	113.4	S437	E433-S437 PolarHBondContact O-N 2.87Å
434	L	33.6	Very low	33.8	Very low	117 Å²	117	118.4 Å²	118.4	61%	0.613	64%	0.64	S	S	*	*	H	α-helix	trans	-78	-22.7	176.8	-88.5	160.1	0	0	0	113.4	N432	N432-L434 VanDerWaalsContact C-N 3.34Å; N432-L434 PolarHBondContact O-N 2.85Å
435	I	39.4	Very low	33.8	Very low	87 Å²	87	118.7 Å²	118.7	45%	0.446	64%	0.641	S	S	.	*	H	α-helix	trans	-80.8	-39.6	178.4	-68.1	170.8	0	0	0	110.3	I431 N432 I439	I431-I435 HydrophobicContact CG2-CD1 3.97Å; I431-I435 WeakPolarHBondContact O-CG1 3.48Å; I431-I435 PolarHBondContact O-N 2.92Å; N432-I435 PolarHBondContact O-N 3.42Å; I435-I439 HydrophobicContact CG2-CD1 4Å; I435-I439 WeakPolarHBondContact O-CG1 3.38Å
436	D	37.3	Very low	33.7	Very low	117 Å²	117	121.1 Å²	121.1	63%	0.626	64%	0.642	S	S	*	*	H	α-helix	trans	-76.1	-27	-177.5	-72.2	-19.2	0	0	0	113.6	N432 S440	N432-D436 PolarHBondContact O-N 3.04Å; D436-S440 PolarHBondContact O-OG 2.89Å
437	S	38.7	Very low	33.4	Very low	62 Å²	62	124.5 Å²	124.5	43%	0.434	65%	0.65	S	S	.	*	H	α-helix	trans	-75.3	-27.7	179.6	71.7	0	0	0	0	113.7	E433	E433-S437 PolarHBondContact O-N 2.87Å
438	N	34.5	Very low	33	Very low	110 Å²	110	127.9 Å²	127.9	59%	0.588	66%	0.662	S	S	*	*	H	α-helix	trans	-89.8	-25.3	-176.3	-85.6	-10	0	0	0	113.7	S442	N438-S442 PolarHBondContact O-OG 3.03Å
439	I	36.1	Very low	32.6	Very low	106 Å²	106	128.7 Å²	128.7	54%	0.544	67%	0.669	S	S	.	*	H	α-helix	trans	-82.2	-28.9	-179.8	-62.8	175.4	0	0	0	111.1	I435	I435-I439 HydrophobicContact CG2-CD1 4Å; I435-I439 WeakPolarHBondContact O-CG1 3.38Å
440	S	35.1	Very low	32.3	Very low	85 Å²	85	132.7 Å²	132.7	59%	0.594	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	-18.4	-176.7	51.1	0	0	0	0	114.9	D436	D436-S440 PolarHBondContact O-OG 2.89Å
441	S	33.9	Very low	31.6	Very low	85 Å²	85	132.8 Å²	132.8	59%	0.594	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	-12	-179.6	68.6	0	0	0	0	114.9
442	S	31	Very low	30.9	Very low	88 Å²	88	136.4 Å²	136.4	62%	0.615	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.6	-13.9	-174.2	40.8	0	0	0	0	114.3	N438	N438-S442 PolarHBondContact O-OG 3.03Å
443	L	31.3	Very low	30.5	Very low	142 Å²	142	140.9 Å²	140.9	74%	0.743	72%	0.718	S	S	*	*	S	Bend	trans	-101	1.2	-177	-94.2	158.4	0	0	0	116.1
444	N	30.9	Very low	30	Very low	150 Å²	150	141.4 Å²	141.4	80%	0.802	72%	0.72	S	S	*	*	S	Bend	trans	-115.9	18.1	-177.7	-88.9	-19.8	0	0	0	115.8
445	Q	29.1	Very low	29.4	Very low	181 Å²	181	146 Å²	146	85%	0.846	74%	0.736	S	S	*	*	S	Bend	trans	-123.5	18.5	178.3	-81.7	-167.7	-9.6	0	0	116.4
446	Q	26.2	Very low	28.8	Very low	189 Å²	189	149.4 Å²	149.4	88%	0.883	75%	0.749	S	S	*	*	S	Bend	trans	-132.1	27.3	173.2	-74.3	-169	-35.1	0	0	114.8
447	H	25.8	Very low	28	Very low	185 Å²	185	148.6 Å²	148.6	86%	0.856	75%	0.753	S	S	*	*	S	Bend	trans	-124.4	74.5	170.6	-101	50.7	0	0	0	110.5
448	Q	23.2	Very low	27.4	Very low	189 Å²	189	154 Å²	154	88%	0.883	78%	0.776	S	S	*	*	S	Bend	trans	179.6	143.2	149.7	-101.1	162	19.8	0	0	108.8
449	E	25.8	Very low	26.9	Very low	188 Å²	188	155.6 Å²	155.6	88%	0.879	79%	0.785	S	S	*	*			trans	85.9	79.4	176	-54.8	-172.1	160.1	0	0	117.2
450	Q	25.4	Very low	26.2	Very low	202 Å²	202	157.6 Å²	157.6	94%	0.944	80%	0.797	S	S	*	*				-167.2	68.8	123.8	-102.9	170.7	15	0	0	109.9
451	N	20.6	Very low	25.7	Very low	152 Å²	152	159 Å²	159	81%	0.813	81%	0.806	S	S	*	*			trans	-92.4	141.3	163	-94.3	-28	0	0	0	109.5
452	H	22.5	Very low	25.2	Very low	173 Å²	173	161.5 Å²	161.5	80%	0.801	81%	0.812	S	S	*	*			trans	77.6	106.5	164.4	-71.3	-62.4	0	0	0	119.8
453	K	24.2	Very low	25	Very low	196 Å²	196	166.3 Å²	166.3	85%	0.852	82%	0.824	S	S	*	*			trans	152.7	126.6	132.9	-82.6	164.4	-172.7	-173.3	0	105.6
454	E	24.4	Very low	24.5	Very low	165 Å²	165	168.6 Å²	168.6	77%	0.771	83%	0.828	S	S	*	*			cis	-160.7	127.5	27.3	-113	162.5	163.7	0	0	106	H456	E454-H456 PolarHBondContact O-N 3.38Å
455	F	21.4	Very low	24.2	Very low	215 Å²	215	166.6 Å²	166.6	94%	0.943	83%	0.826	S	S	*	*			trans	-86.8	102.9	170.3	-131.9	-94.2	0	0	0	106.2
456	H	26.3	Very low	23.9	Very low	157 Å²	157	162.5 Å²	162.5	73%	0.727	82%	0.817	S	S	*	*			trans	-120.9	105.1	167.5	-104.5	-74	0	0	0	109.3	E454 L458	E454-H456 PolarHBondContact O-N 3.38Å; H456-L458 PolarHBondContact O-N 3.38Å
457	S	22.1	Very low	23.9	Very low	100 Å²	100	161.2 Å²	161.2	70%	0.699	82%	0.816	S	S	*	*			trans	-52.7	124.7	163.2	51.2	0	0	0	0	110.4
458	L	25.3	Very low	23.7	Very low	175 Å²	175	159.2 Å²	159.2	92%	0.916	81%	0.812	S	S	*	*			trans	-125.4	120.1	156.9	-135.3	85.5	0	0	0	109	H456	H456-L458 PolarHBondContact O-N 3.38Å
459	D	24.1	Very low	23.8	Very low	145 Å²	145	157.3 Å²	157.3	78%	0.775	81%	0.808	S	S	*	*			trans	-65.3	151.3	-169.5	-106.3	-42	0	0	0	114.8	S461	D459-S461 PolarHBondContact O-N 3.03Å
460	N	21.8	Very low	23.6	Very low	148 Å²	148	155.7 Å²	155.7	79%	0.791	80%	0.804	S	S	*	*			trans	-47.4	123.9	165.2	-72.5	-48.9	0	0	0	112.5
461	S	25	Very low	23.5	Very low	114 Å²	114	157.2 Å²	157.2	80%	0.797	80%	0.802	S	S	*	*			trans	-126.9	90.9	159.4	19.1	0	0	0	0	109.7	D459 H463	D459-S461 PolarHBondContact O-N 3.03Å; S461-H463 PolarHBondContact O-N 3.49Å
462	I	22.9	Very low	23.6	Very low	138 Å²	138	158.1 Å²	158.1	71%	0.708	81%	0.806	S	S	*	*			trans	-60.6	121.2	166.4	-67.2	164	0	0	0	108.5	K464	I462-K464 HydrophobicContact CG2-CG 4.41Å
463	H	26.3	Very low	23.6	Very low	189 Å²	189	159.7 Å²	159.7	88%	0.875	81%	0.811	S	S	*	*			trans	-126	103.7	159	-110	-70.7	0	0	0	110.3	S461	S461-H463 PolarHBondContact O-N 3.49Å
464	K	21.7	Very low	23.6	Very low	189 Å²	189	155.8 Å²	155.8	82%	0.822	81%	0.808	S	S	*	*			trans	-71.6	138.4	165.4	-77.4	174.2	171.9	175.2	0	110.1	I462	I462-K464 HydrophobicContact CG2-CG 4.41Å
465	S	24	Very low	23.6	Very low	109 Å²	109	153.4 Å²	153.4	76%	0.762	81%	0.809	S	S	*	*			trans	-165.3	76.9	160.1	164.8	0	0	0	0	108
466	S	23.1	Very low	23.8	Very low	94 Å²	94	150.7 Å²	150.7	66%	0.657	80%	0.803	S	S	*	*				38.5	110	109.7	73.7	0	0	0	0	116
467	N	24.9	Very low	23.7	Very low	163 Å²	163	150.6 Å²	150.6	87%	0.872	81%	0.806	S	S	*	*				-158.8	131.5	126.2	-97.8	-17.3	0	0	0	110.9
468	N	22.7	Very low	23.8	Very low	143 Å²	143	154.9 Å²	154.9	77%	0.765	82%	0.816	S	S	*	*			trans	-79.9	136.2	-171.3	-63.1	-43.5	0	0	0	111.2
469	D	25	Very low	23.8	Very low	148 Å²	148	152.9 Å²	152.9	79%	0.791	81%	0.811	S	S	*	*			trans	-134.4	87.2	153.9	-81.6	-39.3	0	0	0	109.9
470	I	23	Very low	23.7	Very low	155 Å²	155	151.4 Å²	151.4	80%	0.795	81%	0.811	S	S	*	*			trans	31.5	96.6	135	-51.3	172.4	0	0	0	116.3
471	Y	22.2	Very low	23.9	Very low	234 Å²	234	152.2 Å²	152.2	92%	0.918	81%	0.814	S	S	*	*			trans	-91.4	127.1	162.3	-90.5	-95.1	0	0	0	111	K473	Y471-K473 PolarHBondContact O-N 3.41Å
472	L	23.1	Very low	24.3	Very low	170 Å²	170	152.7 Å²	152.7	89%	0.89	81%	0.814	S	S	*	*			trans	-75.7	114.3	179.5	-159.3	86.3	0	0	0	110.6
473	K	22.8	Very low	24.4	Very low	207 Å²	207	155.5 Å²	155.5	90%	0.9	83%	0.825	S	S	*	*			trans	-69.6	119.7	177.2	-129.9	173.1	-177.1	178.1	0	110.1	Y471	Y471-K473 PolarHBondContact O-N 3.41Å
474	S	24.2	Very low	24.5	Very low	114 Å²	114	155 Å²	155	80%	0.797	82%	0.823	S	S	*	*			trans	-114	122.7	159.8	61.3	0	0	0	0	108.7
475	S	23.3	Very low	24.8	Very low	114 Å²	114	153.2 Å²	153.2	80%	0.797	82%	0.822	S	S	*	*			trans	-80.5	116.8	-172.5	49.2	0	0	0	0	110.9
476	I	25.7	Very low	24.9	Very low	159 Å²	159	155.7 Å²	155.7	82%	0.815	83%	0.826	S	S	*	*			trans	-119.3	123.5	159.6	-61.7	178.3	0	0	0	106.4	E478	I476-E478 PolarHBondContact O-N 3.37Å
477	I	24.6	Very low	25.1	Very low	154 Å²	154	159.2 Å²	159.2	79%	0.79	84%	0.837	S	S	*	*			trans	-71.4	112.6	-175.9	-69.2	165.6	0	0	0	108.1
478	E	23.2	Very low	25.2	Very low	191 Å²	191	157 Å²	157	89%	0.893	83%	0.829	S	S	*	*			trans	-72.8	127.9	169.8	-77.6	173.8	157.4	0	0	109.9	I476	I476-E478 PolarHBondContact O-N 3.37Å
479	T	25.6	Very low	25.6	Very low	133 Å²	133	156 Å²	156	82%	0.816	83%	0.828	S	S	*	*			trans	-109.5	123.9	161.5	35.5	0	0	0	0	107.9
480	S	22.9	Very low	26	Very low	113 Å²	113	155.6 Å²	155.6	79%	0.79	83%	0.826	S	S	*	*			trans	-70.1	134	-169.3	49.2	0	0	0	0	114.7
481	I	26.4	Very low	26.7	Very low	165 Å²	165	154.5 Å²	154.5	85%	0.846	82%	0.822	S	S	*	*			trans	-139.1	138.1	157.4	-62.9	-176.6	0	0	0	107.1
482	P	32.7	Very low	27.6	Very low	124 Å²	124	148.2 Å²	148.2	81%	0.805	81%	0.808	S	S	*	*			trans	-87.7	147.3	-143.2	32.6	-33.4	0	0	0	115.3
483	E	24.9	Very low	28.6	Very low	197 Å²	197	148.2 Å²	148.2	92%	0.921	80%	0.803	S	S	*	*			trans	-63.6	124.2	175.3	-68.4	172.5	137.1	0	0	112.1
484	E	29.2	Very low	29.5	Very low	179 Å²	179	144.6 Å²	144.6	84%	0.836	79%	0.794	S	S	*	*			trans	-118.7	95.6	160.2	-148.2	173.9	-161	0	0	108.6	L486	E484-L486 PolarHBondContact O-N 2.91Å
485	N	27.3	Very low	30.4	Very low	151 Å²	151	141.4 Å²	141.4	81%	0.807	77%	0.772	S	S	*	*			trans	38	73.1	151.3	-60.6	-30.3	0	0	0	118.4	L487	N485-L487 PolarHBondContact O-N 3.5Å
486	L	25.8	Very low	31.4	Very low	161 Å²	161	140.2 Å²	140.2	84%	0.843	76%	0.76	S	S	*	*			trans	-81.7	108.2	154.8	-101.7	102.3	0	0	0	110.1	E484 T488	E484-L486 PolarHBondContact O-N 2.91Å; L486-T488 PolarHBondContact O-N 3.17Å; L486-T488 VanDerWaalsContact O-N 3.09Å
487	L	27.1	Very low	32.4	Very low	169 Å²	169	139.5 Å²	139.5	89%	0.885	75%	0.753	S	S	*	*			trans	-62.4	102.7	162.9	-83.1	154.2	0	0	0	109.1	N485 T489	N485-L487 PolarHBondContact O-N 3.5Å; L487-T489 PolarHBondContact O-N 3.41Å
488	T	28.3	Very low	33.3	Very low	116 Å²	116	139 Å²	139	71%	0.712	75%	0.745	S	S	*	*			trans	-79.9	97.2	177	45	0	0	0	0	110.3	L486	L486-T488 PolarHBondContact O-N 3.17Å; L486-T488 VanDerWaalsContact O-N 3.09Å
489	T	30.2	Very low	34.5	Very low	122 Å²	122	138 Å²	138	75%	0.748	74%	0.735	S	S	*	*			trans	-84	112.5	164	52.6	0	0	0	0	109.5	L487 N491	L487-T489 PolarHBondContact O-N 3.41Å; T489-N491 VanDerWaalsContact C-N 3.35Å; T489-N491 PolarHBondContact O-N 3.35Å
490	N	33.6	Very low	36	Very low	140 Å²	140	135.9 Å²	135.9	75%	0.749	72%	0.722	S	S	*	*			trans	-66.3	72.5	-177.8	-73.6	-27.7	0	0	0	114.2
491	N	37.1	Very low	37.3	Very low	131 Å²	131	135.8 Å²	135.8	70%	0.701	71%	0.712	S	S	*	*			trans	-113.9	44.6	172.5	-75.4	-6.4	0	0	0	112.4	T489	T489-N491 VanDerWaalsContact C-N 3.35Å; T489-N491 PolarHBondContact O-N 3.35Å
492	T	41.3	Very low	38.8	Very low	103 Å²	103	130.3 Å²	130.3	63%	0.632	69%	0.686	S	S	*	*	H	α-helix	trans	-83.3	-7.7	-173.8	23.9	0	0	0	0	116.1	S495 T496	T492-S495 PolarHBondContact O-OG 3.39Å; T492-T496 PolarHBondContact O-OG1 3.49Å
493	E	44.8	Very low	40.5	Very low	169 Å²	169	127.5 Å²	127.5	79%	0.79	67%	0.669	S	S	*	*	H	α-helix	trans	-83.8	-37.7	177.5	-73.5	-174.9	164.3	0	0	113	S495 T496	E493-S495 PolarHBondContact O-N 3.28Å; E493-T496 PolarHBondContact O-OG1 3.43Å; E493-T496 VanDerWaalsContact O-OG1 3.04Å
494	N	41.8	Very low	42.5	Very low	132 Å²	132	123.7 Å²	123.7	71%	0.706	65%	0.65	S	S	*	*	H	α-helix	trans	-76.1	-25.4	-179.2	-74.1	1.6	0	0	0	113.7	F498	N494-F498 PolarHBondContact O-N 3.02Å
495	S	42.7	Very low	43.6	Very low	47 Å²	47	120.1 Å²	120.1	33%	0.329	63%	0.634	S	S	.	*	H	α-helix	trans	-70.3	-37.2	-177.7	57.1	0	0	0	0	111.9	T492 E493 F498 Y499	T492-S495 PolarHBondContact O-OG 3.39Å; E493-S495 PolarHBondContact O-N 3.28Å; S495-F498 PolarHBondContact O-N 3.21Å; S495-Y499 WeakPolarHBondContact O-CD2 3.27Å; S495-Y499 PolarHBondContact O-N 2.99Å; S495-Y499 VanDerWaalsContact O-N 3.1Å
496	T	44.5	Very low	45.8	Very low	88 Å²	88	117.6 Å²	117.6	54%	0.54	62%	0.621	S	S	.	*	H	α-helix	trans	-64.6	-40.8	178.6	27.9	0	0	0	0	113.6	T492 E493 T500	T492-T496 PolarHBondContact O-OG1 3.49Å; E493-T496 PolarHBondContact O-OG1 3.43Å; E493-T496 VanDerWaalsContact O-OG1 3.04Å; T496-T500 WeakPolarHBondContact O-CG2 3.47Å; T496-T500 PolarHBondContact O-N 3.47Å
497	E	45.6	Very low	47.9	Very low	144 Å²	144	113.4 Å²	113.4	67%	0.673	60%	0.602	S	S	*	*	H	α-helix	trans	-64.8	-43	175.6	-79.9	-169.4	156.4	0	0	111.4	Y499 T500 L501	E497-Y499 PolarHBondContact O-N 3.45Å; E497-T500 PolarHBondContact O-N 3.05Å; E497-T500 VanDerWaalsContact O-N 3.14Å; E497-T500 PolarHBondContact O-OG1 3.49Å; E497-L501 PolarHBondContact O-N 3.04Å
498	F	43.4	Very low	50.1	Low	143 Å²	143	109 Å²	109	63%	0.627	58%	0.578	S	S	*	*	H	α-helix	trans	-61.7	-41.3	179.6	-168.8	-98.5	0	0	0	113	N494 S495 T500 L501 T502	N494-F498 PolarHBondContact O-N 3.02Å; S495-F498 PolarHBondContact O-N 3.21Å; F498-T500 PolarHBondContact O-N 3.39Å; F498-L501 PolarHBondContact O-N 3.36Å; F498-T502 WeakPolarHBondContact O-CB 3.15Å; F498-T502 PolarHBondContact O-N 2.82Å; F498-T502 PolarHBondContact O-OG1 2.91Å
499	Y	48.7	Very low	52.1	Low	171 Å²	171	107.4 Å²	107.4	67%	0.671	57%	0.569	S	S	*	*	H	α-helix	trans	-64	-38.6	174.8	-78.8	-68.3	0	0	0	112.3	S495 E497 S503	S495-Y499 WeakPolarHBondContact O-CD2 3.27Å; S495-Y499 PolarHBondContact O-N 2.99Å; S495-Y499 VanDerWaalsContact O-N 3.1Å; E497-Y499 PolarHBondContact O-N 3.45Å; Y499-S503 WeakPolarHBondContact O-CB 3.34Å; Y499-S503 PolarHBondContact O-N 3.49Å; Y499-S503 PolarHBondContact O-OG 3.13Å
500	T	56.9	Low	54	Low	89 Å²	89	107.7 Å²	107.7	55%	0.546	56%	0.561	S	S	.	*	H	α-helix	trans	-67.7	-42.8	178.4	63.5	0	0	0	0	112.3	T496 E497 F498 S503 K504	T496-T500 WeakPolarHBondContact O-CG2 3.47Å; T496-T500 PolarHBondContact O-N 3.47Å; E497-T500 PolarHBondContact O-N 3.05Å; E497-T500 VanDerWaalsContact O-N 3.14Å; E497-T500 PolarHBondContact O-OG1 3.49Å; F498-T500 PolarHBondContact O-N 3.39Å; T500-S503 PolarHBondContact O-N 3.02Å; T500-S503 PolarHBondContact O-OG 3.39Å; T500-K504 WeakPolarHBondContact O-CB 3.38Å; T500-K504 PolarHBondContact O-N 3.23Å
501	L	50.3	Low	56	Low	110 Å²	110	104.5 Å²	104.5	58%	0.576	55%	0.545	S	S	*	.	H	α-helix	trans	-64.9	-45.7	178	-167.4	74.5	0	0	0	111.2	E497 F498 S503 K504 M505	E497-L501 PolarHBondContact O-N 3.04Å; F498-L501 PolarHBondContact O-N 3.36Å; L501-S503 PolarHBondContact O-N 2.75Å; L501-K504 PolarHBondContact O-N 2.93Å; L501-M505 PolarHBondContact O-N 3.35Å
502	T	59.2	Low	57.6	Low	50 Å²	50	103.4 Å²	103.4	31%	0.307	54%	0.538	S	S	.	.	H	α-helix	trans	-61.9	-42.8	178	-52.9	0	0	0	0	111.3	F498 K504 M505 N506	F498-T502 WeakPolarHBondContact O-CB 3.15Å; F498-T502 PolarHBondContact O-N 2.82Å; F498-T502 PolarHBondContact O-OG1 2.91Å; T502-K504 VanDerWaalsContact C-N 3.35Å; T502-K504 PolarHBondContact O-N 3.48Å; T502-M505 PolarHBondContact O-N 2.79Å; T502-N506 WeakPolarHBondContact O-CB 3.43Å; T502-N506 VanDerWaalsContact O-CG 3.29Å; T502-N506 PolarHBondContact O-N 2.8Å
503	S	68.7	Low	58.8	Low	65 Å²	65	100.7 Å²	100.7	46%	0.455	53%	0.531	S	S	.	.	H	α-helix	trans	-64.7	-37.9	176.6	73.8	0	0	0	0	112.7	Y499 T500 L501 T507	Y499-S503 WeakPolarHBondContact O-CB 3.34Å; Y499-S503 PolarHBondContact O-N 3.49Å; Y499-S503 PolarHBondContact O-OG 3.13Å; T500-S503 PolarHBondContact O-N 3.02Å; T500-S503 PolarHBondContact O-OG 3.39Å; L501-S503 PolarHBondContact O-N 2.75Å; S503-T507 PolarHBondContact O-N 3.36Å; S503-T507 PolarHBondContact O-OG1 3.16Å
504	K	66.1	Low	60.2	Low	118 Å²	118	97.7 Å²	97.7	51%	0.513	52%	0.519	S	S	.	.	H	α-helix	trans	-68.4	-42.9	176.8	-167	178.9	178.5	-169.7	0	110.8	T500 L501 T502 T507 I508	T500-K504 WeakPolarHBondContact O-CB 3.38Å; T500-K504 PolarHBondContact O-N 3.23Å; L501-K504 PolarHBondContact O-N 2.93Å; T502-K504 VanDerWaalsContact C-N 3.35Å; T502-K504 PolarHBondContact O-N 3.48Å; K504-T507 PolarHBondContact O-N 3.49Å; K504-I508 HydrophobicContact CG-CD1 4.24Å; K504-I508 VanDerWaalsContact O-CG1 3.3Å; K504-I508 WeakPolarHBondContact O-CG1 3.49Å; K504-I508 PolarHBondContact O-N 2.95Å
505	M	53	Low	61.7	Low	104 Å²	104	98 Å²	98	51%	0.512	52%	0.515	S	S	.	.	H	α-helix	trans	-62.3	-45.7	173.7	-89.3	-158	145.5	0	0	112.1	L501 T502 T507 I508 T509	L501-M505 PolarHBondContact O-N 3.35Å; T502-M505 PolarHBondContact O-N 2.79Å; M505-T507 VanDerWaalsContact C-N 3.26Å; M505-T507 PolarHBondContact O-N 3.31Å; M505-I508 PolarHBondContact O-N 3.39Å; M505-I508 VanDerWaalsContact O-N 3.1Å; M505-T509 WeakPolarHBondContact O-CG2 3.3Å; M505-T509 PolarHBondContact O-N 2.97Å; M505-T509 PolarHBondContact O-OG1 3.06Å
506	N	71.9	Confident	63	Low	98 Å²	98	97.1 Å²	97.1	52%	0.524	51%	0.512	S	S	.	.	H	α-helix	trans	-60.2	-36.6	176.1	-74.6	-13.5	0	0	0	112.3	T502 T509 Q510	T502-N506 WeakPolarHBondContact O-CB 3.43Å; T502-N506 VanDerWaalsContact O-CG 3.29Å; T502-N506 PolarHBondContact O-N 2.8Å; N506-T509 WeakPolarHBondContact CA-OG1 3.45Å; N506-T509 PolarHBondContact O-OG1 3.5Å; N506-T509 VanDerWaalsContact O-OG1 3.08Å; N506-Q510 WeakPolarHBondContact O-CB 3.22Å; N506-Q510 PolarHBondContact O-N 3.17Å
507	T	71.5	Confident	64.3	Low	73 Å²	73	100.1 Å²	100.1	45%	0.448	52%	0.515	S	S	.	.	H	α-helix	trans	-68.7	-40.7	175.2	-53.1	0	0	0	0	111.4	S503 K504 M505 N511	S503-T507 PolarHBondContact O-N 3.36Å; S503-T507 PolarHBondContact O-OG1 3.16Å; K504-T507 PolarHBondContact O-N 3.49Å; M505-T507 VanDerWaalsContact C-N 3.26Å; M505-T507 PolarHBondContact O-N 3.31Å; T507-N511 WeakPolarHBondContact O-CB 3.4Å; T507-N511 PolarHBondContact O-N 2.93Å; T507-N511 PolarHBondContact O-ND2 3.45Å; T507-N511 VanDerWaalsContact O-ND2 3.09Å
508	I	72.3	Confident	65.5	Low	75 Å²	75	94.9 Å²	94.9	39%	0.385	50%	0.499	S	S	.	.	H	α-helix	trans	-66.1	-47.9	177.4	-70	165.7	0	0	0	110.7	K504 M505 Q510 N511 L512	K504-I508 HydrophobicContact CG-CD1 4.24Å; K504-I508 VanDerWaalsContact O-CG1 3.3Å; K504-I508 WeakPolarHBondContact O-CG1 3.49Å; K504-I508 PolarHBondContact O-N 2.95Å; M505-I508 PolarHBondContact O-N 3.39Å; M505-I508 VanDerWaalsContact O-N 3.1Å; I508-Q510 PolarHBondContact O-N 3.48Å; I508-N511 PolarHBondContact O-N 2.78Å; I508-L512 HydrophobicContact CG2-CD1 3.69Å; I508-L512 WeakPolarHBondContact O-CB 3.33Å; I508-L512 PolarHBondContact O-N 3.36Å
509	T	69.7	Low	66.8	Low	83 Å²	83	91.3 Å²	91.3	51%	0.509	49%	0.486	S	S	.	.	H	α-helix	trans	-64.2	-39	178.4	52.3	0	0	0	0	111.7	M505 N506 L512 G513	M505-T509 WeakPolarHBondContact O-CG2 3.3Å; M505-T509 PolarHBondContact O-N 2.97Å; M505-T509 PolarHBondContact O-OG1 3.06Å; N506-T509 WeakPolarHBondContact CA-OG1 3.45Å; N506-T509 PolarHBondContact O-OG1 3.5Å; N506-T509 VanDerWaalsContact O-OG1 3.08Å; T509-L512 PolarHBondContact O-N 3.13Å; T509-G513 PolarHBondContact O-N 3.18Å
510	Q	71	Confident	67.9	Low	128 Å²	128	88.8 Å²	88.8	60%	0.598	48%	0.483	S	S	*	.	H	α-helix	trans	-63.7	-43	173.5	-171.7	178.2	14.9	0	0	112	N506 I508 G513 L514	N506-Q510 WeakPolarHBondContact O-CB 3.22Å; N506-Q510 PolarHBondContact O-N 3.17Å; I508-Q510 PolarHBondContact O-N 3.48Å; Q510-G513 PolarHBondContact O-N 3.02Å; Q510-L514 HydrophobicContact CG-CD1 4.4Å; Q510-L514 WeakPolarHBondContact O-CG 3.48Å; Q510-L514 PolarHBondContact O-N 2.99Å
511	N	75.2	Confident	68.5	Low	74 Å²	74	91.5 Å²	91.5	40%	0.396	49%	0.487	S	S	.	.	H	α-helix	trans	-66.6	-40.1	177	-74.9	-29.5	0	0	0	112.4	T507 I508 G513 L514 F515	T507-N511 WeakPolarHBondContact O-CB 3.4Å; T507-N511 PolarHBondContact O-N 2.93Å; T507-N511 PolarHBondContact O-ND2 3.45Å; T507-N511 VanDerWaalsContact O-ND2 3.09Å; I508-N511 PolarHBondContact O-N 2.78Å; N511-G513 VanDerWaalsContact C-N 3.33Å; N511-L514 PolarHBondContact O-N 3.44Å; N511-F515 VanDerWaalsContact O-CB 3.3Å; N511-F515 WeakPolarHBondContact O-CB 3.47Å; N511-F515 PolarHBondContact O-N 3.07Å
512	L	70.9	Confident	69.4	Low	108 Å²	108	89.1 Å²	89.1	57%	0.565	48%	0.475	S	S	*	.	H	α-helix	trans	-62.6	-40.9	172.5	-82.4	157.2	0	0	0	111.3	I508 T509 F515 G516	I508-L512 HydrophobicContact CG2-CD1 3.69Å; I508-L512 WeakPolarHBondContact O-CB 3.33Å; I508-L512 PolarHBondContact O-N 3.36Å; T509-L512 PolarHBondContact O-N 3.13Å; L512-F515 PolarHBondContact O-N 2.84Å; L512-G516 PolarHBondContact O-N 3.2Å
513	G	67.6	Low	70.2	Confident	46 Å²	46	89.9 Å²	89.9	47%	0.474	47%	0.474	S	S	.	.	H	α-helix	trans	-62.1	-45.4	174.2	0	0	0	0	0	112.5	T509 Q510 N511 G516 Y517	T509-G513 PolarHBondContact O-N 3.18Å; Q510-G513 PolarHBondContact O-N 3.02Å; N511-G513 VanDerWaalsContact C-N 3.33Å; G513-G516 PolarHBondContact O-N 3.32Å; G513-Y517 WeakPolarHBondContact O-CB 3.3Å; G513-Y517 PolarHBondContact O-N 3.21Å
514	L	73.9	Confident	70.6	Confident	105 Å²	105	89.8 Å²	89.8	55%	0.55	47%	0.468	S	S	.	.	H	α-helix	trans	-63.7	-41.3	175.3	-75	166.6	0	0	0	112.2	Q510 N511 G518	Q510-L514 HydrophobicContact CG-CD1 4.4Å; Q510-L514 WeakPolarHBondContact O-CG 3.48Å; Q510-L514 PolarHBondContact O-N 2.99Å; N511-L514 PolarHBondContact O-N 3.44Å; L514-G518 PolarHBondContact O-N 3.42Å
515	F	72.9	Confident	71.4	Confident	140 Å²	140	89.3 Å²	89.3	61%	0.614	47%	0.471	S	S	*	.	H	α-helix	trans	-64.7	-46.9	175.9	179.5	-105	0	0	0	111.5	N511 L512 Y517 G518 I519	N511-F515 VanDerWaalsContact O-CB 3.3Å; N511-F515 WeakPolarHBondContact O-CB 3.47Å; N511-F515 PolarHBondContact O-N 3.07Å; L512-F515 PolarHBondContact O-N 2.84Å; F515-Y517 PolarHBondContact O-N 2.92Å; F515-G518 WeakPolarHBondContact O-CA 3.09Å; F515-G518 PolarHBondContact O-N 3.1Å; F515-G518 VanDerWaalsContact O-N 3.12Å; F515-I519 HydrophobicContact CD1-CD1 3.93Å; F515-I519 HydrophobicContact CE1-CD1 3.36Å; F515-I519 HydrophobicContact CE1-CG1 4.28Å; F515-I519 HydrophobicContact CZ-CD1 3.69Å; F515-I519 HydrophobicContact CZ-CG1 4.33Å; F515-I519 PolarHBondContact O-N 3.47Å
516	G	70.1	Confident	72.9	Confident	27 Å²	27	86 Å²	86	28%	0.278	46%	0.464	S	S	.	.	H	α-helix	trans	-60.5	-43.2	175.8	0	0	0	0	0	112.2	L512 G513 G518 I519 I520	L512-G516 PolarHBondContact O-N 3.2Å; G513-G516 PolarHBondContact O-N 3.32Å; G516-G518 VanDerWaalsContact C-N 3.31Å; G516-G518 PolarHBondContact O-N 3.2Å; G516-I519 PolarHBondContact O-N 2.96Å; G516-I520 WeakPolarHBondContact O-CG1 3.12Å; G516-I520 PolarHBondContact O-N 3.12Å
517	Y	71.7	Confident	73.6	Confident	152 Å²	152	82.2 Å²	82.2	60%	0.596	44%	0.443	S	S	*	.	H	α-helix	trans	-60.1	-41.5	172.7	-179.7	-103.4	0	0	0	112	G513 F515 I519 I520 K521	G513-Y517 WeakPolarHBondContact O-CB 3.3Å; G513-Y517 PolarHBondContact O-N 3.21Å; F515-Y517 PolarHBondContact O-N 2.92Å; Y517-I519 PolarHBondContact O-N 2.98Å; Y517-I520 PolarHBondContact O-N 3.18Å; Y517-K521 WeakPolarHBondContact O-CB 3.43Å; Y517-K521 PolarHBondContact O-N 3.08Å
518	G	70.3	Confident	74.5	Confident	33 Å²	33	81.5 Å²	81.5	34%	0.34	43%	0.434	S	S	.	.	H	α-helix	trans	-58.4	-44.1	173.3	0	0	0	0	0	112.9	L514 F515 G516 K521 L522	L514-G518 PolarHBondContact O-N 3.42Å; F515-G518 WeakPolarHBondContact O-CA 3.09Å; F515-G518 PolarHBondContact O-N 3.1Å; F515-G518 VanDerWaalsContact O-N 3.12Å; G516-G518 VanDerWaalsContact C-N 3.31Å; G516-G518 PolarHBondContact O-N 3.2Å; G518-K521 PolarHBondContact O-N 3.01Å; G518-L522 WeakPolarHBondContact O-CG 3.48Å; G518-L522 PolarHBondContact O-N 3.47Å; G518-L522 VanDerWaalsContact O-N 3.15Å
519	I	70.4	Confident	75.4	Confident	68 Å²	68	83.5 Å²	83.5	35%	0.349	45%	0.45	S	S	.	.	H	α-helix	trans	-63.4	-46.6	175.6	-68.7	176.1	0	0	0	111.1	F515 G516 Y517 K521 L522 F523	F515-I519 HydrophobicContact CD1-CD1 3.93Å; F515-I519 HydrophobicContact CE1-CD1 3.36Å; F515-I519 HydrophobicContact CE1-CG1 4.28Å; F515-I519 HydrophobicContact CZ-CD1 3.69Å; F515-I519 HydrophobicContact CZ-CG1 4.33Å; F515-I519 PolarHBondContact O-N 3.47Å; G516-I519 PolarHBondContact O-N 2.96Å; Y517-I519 PolarHBondContact O-N 2.98Å; I519-K521 PolarHBondContact O-N 2.92Å; I519-L522 WeakPolarHBondContact O-CB 3.39Å; I519-L522 PolarHBondContact O-N 2.77Å; I519-F523 HydrophobicContact CG2-CD2 4.07Å; I519-F523 HydrophobicContact CG2-CE2 4.16Å; I519-F523 WeakPolarHBondContact O-CD2 3.37Å; I519-F523 PolarHBondContact O-N 3.3Å
520	I	71.6	Confident	76.3	Confident	119 Å²	119	83.3 Å²	83.3	61%	0.61	44%	0.443	S	S	*	.	H	α-helix	trans	-59.7	-40.3	179.2	-66.9	165.1	0	0	0	110.3	G516 Y517 L522 F523	G516-I520 WeakPolarHBondContact O-CG1 3.12Å; G516-I520 PolarHBondContact O-N 3.12Å; Y517-I520 PolarHBondContact O-N 3.18Å; I520-L522 VanDerWaalsContact C-N 3.29Å; I520-L522 PolarHBondContact O-N 2.63Å; I520-F523 CarbonylContact O-C 3.57Å; I520-F523 VanDerWaalsContact O-C 3.29Å; I520-F523 PolarHBondContact O-N 3.19Å
521	K	69.6	Low	77.2	Confident	145 Å²	145	79.4 Å²	79.4	63%	0.63	43%	0.429	S	S	*	.	H	α-helix	trans	-67.1	-26.1	177.4	-164.1	174.8	-178.4	177.9	0	113.4	Y517 G518 I519 F523	Y517-K521 WeakPolarHBondContact O-CB 3.43Å; Y517-K521 PolarHBondContact O-N 3.08Å; G518-K521 PolarHBondContact O-N 3.01Å; I519-K521 PolarHBondContact O-N 2.92Å; K521-F523 VanDerWaalsContact C-N 3.27Å
522	L	70.2	Confident	78	Confident	60 Å²	60	76.3 Å²	76.3	31%	0.314	41%	0.413	S	S	.	.	H	α-helix	trans	-69.1	-29.1	171.7	-68.9	169.9	0	0	0	111.9	G518 I519 I520 T658 A659	G518-L522 WeakPolarHBondContact O-CG 3.48Å; G518-L522 PolarHBondContact O-N 3.47Å; G518-L522 VanDerWaalsContact O-N 3.15Å; I519-L522 WeakPolarHBondContact O-CB 3.39Å; I519-L522 PolarHBondContact O-N 2.77Å; I520-L522 VanDerWaalsContact C-N 3.29Å; I520-L522 PolarHBondContact O-N 2.63Å; L522-T658 HydrophobicContact CD2-CG2 3.75Å; L522-A659 WeakPolarHBondContact O-CA 3.4Å
523	F	75.1	Confident	79.1	Confident	66 Å²	66	71.2 Å²	71.2	29%	0.289	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	58.8	-178.3	-66.6	-71	0	0	0	111.8	I519 I520 K521 L525 N663 L666	I519-F523 HydrophobicContact CG2-CD2 4.07Å; I519-F523 HydrophobicContact CG2-CE2 4.16Å; I519-F523 WeakPolarHBondContact O-CD2 3.37Å; I519-F523 PolarHBondContact O-N 3.3Å; I520-F523 CarbonylContact O-C 3.57Å; I520-F523 VanDerWaalsContact O-C 3.29Å; I520-F523 PolarHBondContact O-N 3.19Å; K521-F523 VanDerWaalsContact C-N 3.27Å; F523-L525 PolarHBondContact O-N 3.02Å; F523-N663 WeakPolarHBondContact CD1-OD1 3.49Å; F523-L666 HydrophobicContact CD1-CD2 4.32Å; F523-L666 HydrophobicContact CE1-CD2 3.51Å; F523-L666 HydrophobicContact CZ-CD2 4.24Å
524	D	78	Confident	80.4	Confident	63 Å²	63	73 Å²	73	34%	0.337	39%	0.385	S	S	.	.			trans	-69.4	97.5	172.3	-171.5	-8.5	0	0	0	110.2	G526 L527 A659 N663	D524-G526 PolarHBondContact O-N 3.3Å; D524-G526 WeakPolarHBondContact OD1-CA 3.46Å; D524-G526 PolarHBondContact OD1-N 3.07Å; D524-L527 HydrophobicContact CB-CD1 4.01Å; D524-L527 HydrophobicContact CB-CG 4.26Å; D524-L527 WeakPolarHBondContact O-CB 3.33Å; D524-L527 WeakPolarHBondContact O-CD1 3.35Å; D524-L527 WeakPolarHBondContact O-CG 3.43Å; D524-L527 PolarHBondContact O-N 3.22Å; D524-A659 HydrophobicContact CB-CB 4.22Å; D524-N663 PolarHBondContact O-ND2 2.98Å; D524-N663 VanDerWaalsContact O-ND2 3.14Å
525	L	82.2	Confident	81.4	Confident	108 Å²	108	71.8 Å²	71.8	57%	0.565	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-69.1	-17.2	179.5	-62.8	179.7	0	0	0	112.5	F523 L527 F528	F523-L525 PolarHBondContact O-N 3.02Å; L525-L527 PolarHBondContact O-N 3.32Å; L525-F528 HydrophobicContact CD2-CD2 4.21Å; L525-F528 HydrophobicContact CD2-CE2 4.25Å; L525-F528 PolarHBondContact O-N 2.91Å; L525-F528 VanDerWaalsContact O-N 3.08Å
526	G	85.6	Confident	82.5	Confident	36 Å²	36	65.7 Å²	65.7	37%	0.371	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-57.5	-31	173.8	0	0	0	0	0	112	D524 F528 T529	D524-G526 PolarHBondContact O-N 3.3Å; D524-G526 WeakPolarHBondContact OD1-CA 3.46Å; D524-G526 PolarHBondContact OD1-N 3.07Å; G526-F528 PolarHBondContact O-N 3.33Å; G526-T529 WeakPolarHBondContact O-CB 3.4Å; G526-T529 PolarHBondContact O-N 2.92Å; G526-T529 PolarHBondContact O-OG1 3.45Å
527	L	86.7	Confident	83.7	Confident	17 Å²	17	64.9 Å²	64.9	9%	0.089	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-57.9	-32.5	176.4	-67.3	166.4	0	0	0	113	D524 L525 T529 E530 F533 H656 A659	D524-L527 HydrophobicContact CB-CD1 4.01Å; D524-L527 HydrophobicContact CB-CG 4.26Å; D524-L527 WeakPolarHBondContact O-CB 3.33Å; D524-L527 WeakPolarHBondContact O-CD1 3.35Å; D524-L527 WeakPolarHBondContact O-CG 3.43Å; D524-L527 PolarHBondContact O-N 3.22Å; L525-L527 PolarHBondContact O-N 3.32Å; L527-T529 PolarHBondContact O-N 3.14Å; L527-E530 PolarHBondContact O-N 2.88Å; L527-F533 HydrophobicContact CB-CD1 3.84Å; L527-F533 HydrophobicContact CB-CE1 3.92Å; L527-F533 HydrophobicContact CB-CG 4.26Å; L527-F533 HydrophobicContact CB-CZ 4.43Å; L527-F533 WeakPolarHBondContact O-CB 3.36Å; L527-F533 WeakPolarHBondContact O-CD1 3.22Å; L527-H656 HydrophobicContact CD2-CB 4.34Å; L527-A659 HydrophobicContact CD1-CB 3.9Å
528	F	90.1	Very high	84.9	Confident	59 Å²	59	58.6 Å²	58.6	26%	0.259	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-73.7	-7.7	179.1	-70.4	-83.1	0	0	0	113.8	L525 G526 F533 L534 V537 N663 L667	L525-F528 HydrophobicContact CD2-CD2 4.21Å; L525-F528 HydrophobicContact CD2-CE2 4.25Å; L525-F528 PolarHBondContact O-N 2.91Å; L525-F528 VanDerWaalsContact O-N 3.08Å; G526-F528 PolarHBondContact O-N 3.33Å; F528-F533 HydrophobicContact CD1-CD1 4.3Å; F528-F533 AromaticContact CD1-CE1 3.99Å; F528-F533 HydrophobicContact CD1-CE1 3.99Å; F528-F533 HydrophobicContact CD2-CE1 4.33Å; F528-F533 AromaticContact CE1-CE1 3.79Å; F528-F533 HydrophobicContact CE1-CE1 3.79Å; F528-F533 HydrophobicContact CE2-CE1 4.16Å; F528-F533 HydrophobicContact CG-CE1 4.26Å; F528-F533 AromaticContact CZ-CE1 3.9Å; F528-F533 HydrophobicContact CZ-CE1 3.9Å; F528-L534 HydrophobicContact CD1-CD2 4.18Å; F528-L534 WeakPolarHBondContact O-CD2 3.39Å; F528-V537 HydrophobicContact CE1-CG2 4.06Å; F528-N663 HydrophobicContact CE2-CB 4.07Å; F528-N663 HydrophobicContact CZ-CB 4.05Å; F528-L667 HydrophobicContact CE1-CD1 3.58Å; F528-L667 HydrophobicContact CZ-CD1 3.81Å
529	T	90	Very high	86.2	Confident	117 Å²	117	57.7 Å²	57.7	72%	0.718	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-83.5	-20	171.9	68.1	0	0	0	0	112.3	G526 L527 P531	G526-T529 WeakPolarHBondContact O-CB 3.4Å; G526-T529 PolarHBondContact O-N 2.92Å; G526-T529 PolarHBondContact O-OG1 3.45Å; L527-T529 PolarHBondContact O-N 3.14Å; T529-P531 WeakPolarHBondContact O-CD 3.28Å
530	E	89.6	Confident	87.4	Confident	78 Å²	78	54.7 Å²	54.7	36%	0.364	29%	0.291	S	S	.	.	S	Bend	trans	-81.9	120.2	-178.5	-179.9	53.5	-146	0	0	111	L527 S532 F533 L534	L527-E530 PolarHBondContact O-N 2.88Å; E530-S532 VanDerWaalsContact C-N 3.25Å; E530-S532 PolarHBondContact O-N 2.97Å; E530-S532 PolarHBondContact OE1-OG 2.94Å; E530-F533 HydrophobicContact CB-CB 4.31Å; E530-F533 PolarHBondContact O-N 3.32Å; E530-F533 VanDerWaalsContact O-N 3.1Å; E530-L534 PolarHBondContact O-N 3.45Å; E530-L534 VanDerWaalsContact O-N 3.13Å
531	P	90.6	Very high	88.6	Confident	47 Å²	47	50.4 Å²	50.4	31%	0.305	27%	0.269	S	S	.	.	H	α-helix	trans	-58	-36.9	-177.6	-26.4	35.2	0	0	0	113.4	T529 F533 L534 Y535 Y713	T529-P531 WeakPolarHBondContact O-CD 3.28Å; P531-F533 VanDerWaalsContact C-N 3.31Å; P531-F533 PolarHBondContact O-N 2.61Å; P531-L534 PolarHBondContact O-N 3.04Å; P531-Y535 VanDerWaalsContact O-CD2 3.3Å; P531-Y535 WeakPolarHBondContact O-CD2 3.37Å; P531-Y535 PolarHBondContact O-N 2.83Å; P531-Y713 HydrophobicContact CB-CE1 4.29Å; P531-Y713 HydrophobicContact CB-CE2 4.07Å; P531-Y713 HydrophobicContact CG-CE2 4.44Å
532	S	91.1	Very high	89.9	Confident	8 Å²	8	44.6 Å²	44.6	6%	0.056	25%	0.246	C	C	.	.	H	α-helix	trans	-59.5	-43.3	178.5	-47.5	0	0	0	0	111.6	E530 Y535 L536 Y713	E530-S532 VanDerWaalsContact C-N 3.25Å; E530-S532 PolarHBondContact O-N 2.97Å; E530-S532 PolarHBondContact OE1-OG 2.94Å; S532-Y535 PolarHBondContact O-N 2.9Å; S532-L536 WeakPolarHBondContact O-CG 3.22Å; S532-L536 PolarHBondContact O-N 2.81Å; S532-Y713 WeakPolarHBondContact OG-CE1 3.28Å
533	F	93.3	Very high	91.1	Very high	1 Å²	1	42.9 Å²	42.9	0%	0.004	24%	0.239	C	C	.	.	H	α-helix	trans	-69.5	-38.7	177.9	-174.8	-108.7	0	0	0	111.5	L527 F528 E530 P531 Y535 L536 V537 L648 S660 N663	L527-F533 HydrophobicContact CB-CD1 3.84Å; L527-F533 HydrophobicContact CB-CE1 3.92Å; L527-F533 HydrophobicContact CB-CG 4.26Å; L527-F533 HydrophobicContact CB-CZ 4.43Å; L527-F533 WeakPolarHBondContact O-CB 3.36Å; L527-F533 WeakPolarHBondContact O-CD1 3.22Å; F528-F533 HydrophobicContact CD1-CD1 4.3Å; F528-F533 AromaticContact CD1-CE1 3.99Å; F528-F533 HydrophobicContact CD1-CE1 3.99Å; F528-F533 HydrophobicContact CD2-CE1 4.33Å; F528-F533 AromaticContact CE1-CE1 3.79Å; F528-F533 HydrophobicContact CE1-CE1 3.79Å; F528-F533 HydrophobicContact CE2-CE1 4.16Å; F528-F533 HydrophobicContact CG-CE1 4.26Å; F528-F533 AromaticContact CZ-CE1 3.9Å; F528-F533 HydrophobicContact CZ-CE1 3.9Å; E530-F533 HydrophobicContact CB-CB 4.31Å; E530-F533 PolarHBondContact O-N 3.32Å; E530-F533 VanDerWaalsContact O-N 3.1Å; P531-F533 VanDerWaalsContact C-N 3.31Å; P531-F533 PolarHBondContact O-N 2.61Å; F533-Y535 VanDerWaalsContact C-N 3.32Å; F533-Y535 PolarHBondContact O-N 3.17Å; F533-L536 WeakPolarHBondContact O-CB 3.37Å; F533-L536 PolarHBondContact O-N 3.24Å; F533-L536 VanDerWaalsContact O-N 3.1Å; F533-V537 HydrophobicContact CD1-CG2 3.94Å; F533-V537 HydrophobicContact CE1-CG2 3.58Å; F533-V537 HydrophobicContact CE2-CG2 4.31Å; F533-V537 HydrophobicContact CG-CG2 4.48Å; F533-V537 HydrophobicContact CZ-CG2 3.77Å; F533-V537 WeakPolarHBondContact O-CG2 3.46Å; F533-V537 PolarHBondContact O-N 3.46Å; F533-L648 HydrophobicContact CD2-CD2 4.04Å; F533-L648 HydrophobicContact CE2-CD2 3.89Å; F533-S660 WeakPolarHBondContact CE2-O 3.45Å; F533-N663 HydrophobicContact CE1-CB 4.39Å; F533-N663 HydrophobicContact CZ-CB 3.86Å
534	L	94.7	Very high	92	Very high	83 Å²	83	40.2 Å²	40.2	44%	0.435	23%	0.227	S	C	.	.	H	α-helix	trans	-59.9	-39.6	174.7	-69.1	177	0	0	0	112.8	F528 E530 P531 V537 G538	F528-L534 HydrophobicContact CD1-CD2 4.18Å; F528-L534 WeakPolarHBondContact O-CD2 3.39Å; E530-L534 PolarHBondContact O-N 3.45Å; E530-L534 VanDerWaalsContact O-N 3.13Å; P531-L534 PolarHBondContact O-N 3.04Å; L534-V537 PolarHBondContact O-N 3.4Å; L534-G538 PolarHBondContact O-N 3.39Å
535	Y	95.1	Very high	92.8	Very high	81 Å²	81	39.1 Å²	39.1	32%	0.318	22%	0.221	S	C	.	.	H	α-helix	trans	-61.6	-45.5	172	-87.2	-74	0	0	0	111.8	P531 S532 F533 V537 G538 I539 L706 L710	P531-Y535 VanDerWaalsContact O-CD2 3.3Å; P531-Y535 WeakPolarHBondContact O-CD2 3.37Å; P531-Y535 PolarHBondContact O-N 2.83Å; S532-Y535 PolarHBondContact O-N 2.9Å; F533-Y535 VanDerWaalsContact C-N 3.32Å; F533-Y535 PolarHBondContact O-N 3.17Å; Y535-V537 VanDerWaalsContact C-N 3.32Å; Y535-V537 PolarHBondContact O-N 2.99Å; Y535-G538 PolarHBondContact O-N 2.92Å; Y535-I539 WeakPolarHBondContact O-CB 3.07Å; Y535-I539 WeakPolarHBondContact O-CD1 3.48Å; Y535-I539 VanDerWaalsContact O-CG1 3.22Å; Y535-I539 WeakPolarHBondContact O-CG1 3.4Å; Y535-I539 PolarHBondContact O-N 2.71Å; Y535-L706 HydrophobicContact CD1-CD2 4.39Å; Y535-L706 WeakPolarHBondContact CD1-O 3.49Å; Y535-L706 HydrophobicContact CE1-CD2 4.44Å; Y535-L710 HydrophobicContact CD1-CB 4.34Å; Y535-L710 HydrophobicContact CD2-CD1 4.46Å; Y535-L710 HydrophobicContact CG-CB 4.15Å; Y535-L710 HydrophobicContact CG-CD1 4.36Å
536	L	95.8	Very high	93.4	Very high	11 Å²	11	34 Å²	34	6%	0.058	19%	0.194	C	C	.	.	H	α-helix	trans	-62.7	-39	177.5	-68.2	174.6	0	0	0	112.1	S532 F533 G540 L647 L648 F651 L664 L710	S532-L536 WeakPolarHBondContact O-CG 3.22Å; S532-L536 PolarHBondContact O-N 2.81Å; F533-L536 WeakPolarHBondContact O-CB 3.37Å; F533-L536 PolarHBondContact O-N 3.24Å; F533-L536 VanDerWaalsContact O-N 3.1Å; L536-G540 PolarHBondContact O-N 3.11Å; L536-L647 HydrophobicContact CD2-CB 4.01Å; L536-L647 HydrophobicContact CD2-CD1 4.17Å; L536-L648 HydrophobicContact CD1-CD2 3.68Å; L536-L648 HydrophobicContact CD1-CG 4.29Å; L536-F651 HydrophobicContact CD1-CB 4.36Å; L536-F651 HydrophobicContact CD1-CD2 4.08Å; L536-L664 WeakPolarHBondContact O-CD1 3.41Å; L536-L710 HydrophobicContact CD2-CD2 3.66Å; L536-L710 HydrophobicContact CG-CD2 4.19Å
537	V	96.3	Very high	93.8	Very high	11 Å²	11	33.2 Å²	33.2	7%	0.067	18%	0.18	C	C	.	.	H	α-helix	trans	-62.4	-48.5	172.9	169.1	0	0	0	0	110.9	F528 F533 L534 Y535 I539 G540 I541 L664 L667	F528-V537 HydrophobicContact CE1-CG2 4.06Å; F533-V537 HydrophobicContact CD1-CG2 3.94Å; F533-V537 HydrophobicContact CE1-CG2 3.58Å; F533-V537 HydrophobicContact CE2-CG2 4.31Å; F533-V537 HydrophobicContact CG-CG2 4.48Å; F533-V537 HydrophobicContact CZ-CG2 3.77Å; F533-V537 WeakPolarHBondContact O-CG2 3.46Å; F533-V537 PolarHBondContact O-N 3.46Å; L534-V537 PolarHBondContact O-N 3.4Å; Y535-V537 VanDerWaalsContact C-N 3.32Å; Y535-V537 PolarHBondContact O-N 2.99Å; V537-I539 PolarHBondContact O-N 3.18Å; V537-G540 PolarHBondContact O-N 3.34Å; V537-I541 HydrophobicContact CG1-CD1 3.59Å; V537-I541 HydrophobicContact CG1-CG1 4.31Å; V537-I541 WeakPolarHBondContact O-CB 3.41Å; V537-I541 WeakPolarHBondContact O-CG1 3.48Å; V537-I541 PolarHBondContact O-N 3.49Å; V537-L664 HydrophobicContact CB-CD1 4.45Å; V537-L664 HydrophobicContact CG2-CD1 4.15Å; V537-L667 HydrophobicContact CG1-CD1 3.48Å; V537-L667 VanDerWaalsContact CG1-CD1 3.48Å; V537-L667 HydrophobicContact CG2-CD1 4.35Å
538	G	96.6	Very high	94	Very high	20 Å²	20	32.5 Å²	32.5	21%	0.206	18%	0.177	C	C	.	.	H	α-helix	trans	-60.3	-44.5	177.4	0	0	0	0	0	112.6	L534 Y535 T542 L706	L534-G538 PolarHBondContact O-N 3.39Å; Y535-G538 PolarHBondContact O-N 2.92Å; G538-T542 WeakPolarHBondContact O-CB 3.44Å; G538-T542 WeakPolarHBondContact O-CG2 3.36Å; G538-T542 PolarHBondContact O-N 3.37Å; G538-T542 PolarHBondContact O-OG1 3.06Å; G538-L706 VanDerWaalsContact C-CD1 3.46Å
539	I	97.1	Very high	94.1	Very high	14 Å²	14	29.8 Å²	29.8	7%	0.072	17%	0.165	C	C	.	.	H	α-helix	trans	-57.8	-49.3	173.6	-73.9	164	0	0	0	110.5	Y535 V537 T542 S543 S703 L706 H707 L710	Y535-I539 WeakPolarHBondContact O-CB 3.07Å; Y535-I539 WeakPolarHBondContact O-CD1 3.48Å; Y535-I539 VanDerWaalsContact O-CG1 3.22Å; Y535-I539 WeakPolarHBondContact O-CG1 3.4Å; Y535-I539 PolarHBondContact O-N 2.71Å; V537-I539 PolarHBondContact O-N 3.18Å; I539-T542 PolarHBondContact O-OG1 3.34Å; I539-S543 WeakPolarHBondContact O-CB 3.34Å; I539-S543 PolarHBondContact O-N 3.32Å; I539-S543 PolarHBondContact O-OG 3.2Å; I539-S703 PolarHBondContact O-OG 3.3Å; I539-S703 VanDerWaalsContact O-OG 3.06Å; I539-L706 HydrophobicContact CD1-CB 4.44Å; I539-L706 HydrophobicContact CG1-CB 3.61Å; I539-H707 HydrophobicContact CD1-CB 4.35Å; I539-H707 WeakPolarHBondContact CG2-CE1 3.46Å; I539-L710 HydrophobicContact CD1-CD2 4.07Å
540	G	95.8	Very high	94.3	Very high	5 Å²	5	24.2 Å²	24.2	5%	0.052	13%	0.13	C	C	.	.	H	α-helix	trans	-59.5	-51.8	179.5	0	0	0	0	0	111.9	L536 V537 S543 Q544	L536-G540 PolarHBondContact O-N 3.11Å; V537-G540 PolarHBondContact O-N 3.34Å; G540-S543 PolarHBondContact O-OG 3.44Å; G540-Q544 WeakPolarHBondContact O-CB 3.42Å; G540-Q544 PolarHBondContact O-N 3.46Å
541	I	96.4	Very high	94.1	Very high	29 Å²	29	20.5 Å²	20.5	15%	0.149	11%	0.113	C	C	.	.	H	α-helix	trans	-61.3	-50.8	-178.9	-71.4	170.3	0	0	0	111.5	V537 S543 Q544 L545 L667 F671	V537-I541 HydrophobicContact CG1-CD1 3.59Å; V537-I541 HydrophobicContact CG1-CG1 4.31Å; V537-I541 WeakPolarHBondContact O-CB 3.41Å; V537-I541 WeakPolarHBondContact O-CG1 3.48Å; V537-I541 PolarHBondContact O-N 3.49Å; I541-S543 PolarHBondContact O-N 2.94Å; I541-Q544 PolarHBondContact O-N 3.4Å; I541-L545 PolarHBondContact O-N 3.33Å; I541-L545 VanDerWaalsContact O-N 3.11Å; I541-L667 HydrophobicContact CD1-CB 4.15Å; I541-L667 HydrophobicContact CD1-CD1 4.37Å; I541-L667 HydrophobicContact CG1-CB 4.16Å; I541-F671 HydrophobicContact CB-CD2 4.21Å; I541-F671 HydrophobicContact CB-CG 4.46Å; I541-F671 HydrophobicContact CD1-CD2 3.99Å; I541-F671 HydrophobicContact CD1-CE2 3.77Å; I541-F671 HydrophobicContact CG1-CD2 3.72Å; I541-F671 HydrophobicContact CG1-CE2 4.05Å; I541-F671 HydrophobicContact CG1-CG 4.41Å; I541-F671 HydrophobicContact CG2-CB 4.12Å; I541-F671 HydrophobicContact CG2-CD1 3.78Å; I541-F671 HydrophobicContact CG2-CD2 3.59Å; I541-F671 HydrophobicContact CG2-CE1 4.03Å; I541-F671 HydrophobicContact CG2-CE2 3.87Å; I541-F671 HydrophobicContact CG2-CG 3.55Å; I541-F671 HydrophobicContact CG2-CZ 4.07Å
542	T	96.7	Very high	94	Very high	23 Å²	23	18.4 Å²	18.4	14%	0.141	10%	0.1	C	C	.	.	H	α-helix	trans	-65.4	-40.8	-175.3	50.2	0	0	0	0	112.3	G538 I539 C699 V702 S703 L706	G538-T542 WeakPolarHBondContact O-CB 3.44Å; G538-T542 WeakPolarHBondContact O-CG2 3.36Å; G538-T542 PolarHBondContact O-N 3.37Å; G538-T542 PolarHBondContact O-OG1 3.06Å; I539-T542 PolarHBondContact O-OG1 3.34Å; T542-C699 WeakPolarHBondContact O-CB 3.06Å; T542-V702 HydrophobicContact CG2-CG1 3.95Å; T542-S703 WeakPolarHBondContact OG1-CA 3.08Å; T542-S703 WeakPolarHBondContact OG1-CB 3.37Å; T542-S703 PolarHBondContact OG1-OG 3.05Å; T542-L706 HydrophobicContact CG2-CD1 4.06Å
543	S	95.9	Very high	94.1	Very high	23 Å²	23	18.1 Å²	18.1	16%	0.161	10%	0.097	C	C	.	.	H	α-helix	trans	-67.2	-39.9	174	61.3	0	0	0	0	112.1	I539 G540 I541 L545 A546 Y547	I539-S543 WeakPolarHBondContact O-CB 3.34Å; I539-S543 PolarHBondContact O-N 3.32Å; I539-S543 PolarHBondContact O-OG 3.2Å; G540-S543 PolarHBondContact O-OG 3.44Å; I541-S543 PolarHBondContact O-N 2.94Å; S543-L545 VanDerWaalsContact C-N 3.35Å; S543-L545 PolarHBondContact O-N 3.31Å; S543-A546 PolarHBondContact O-N 2.83Å; S543-A546 VanDerWaalsContact O-N 3.1Å; S543-Y547 PolarHBondContact O-N 3.47Å
544	Q	94.6	Very high	94.1	Very high	11 Å²	11	18 Å²	18	5%	0.051	10%	0.097	C	C	.	.	H	α-helix	trans	-70.3	-27.9	-174.6	-166.8	65.7	68.2	0	0	114	L91 G540 I541 A546 K668	L91-Q544 HydrophobicContact CD1-CG 4.22Å; G540-Q544 WeakPolarHBondContact O-CB 3.42Å; G540-Q544 PolarHBondContact O-N 3.46Å; I541-Q544 PolarHBondContact O-N 3.4Å; Q544-A546 PolarHBondContact O-N 2.86Å; Q544-K668 HydrophobicContact CB-CB 4.25Å; Q544-K668 HydrophobicContact CB-CG 4.14Å; Q544-K668 HydrophobicContact CG-CB 3.83Å; Q544-K668 HydrophobicContact CG-CG 4.25Å; Q544-K668 WeakPolarHBondContact CG-O 3.48Å
545	L	94.7	Very high	94	Very high	39 Å²	39	14.3 Å²	14.3	20%	0.204	8%	0.077	C	C	.	.	H	α-helix	trans	-55.5	-29.6	170	-79.6	168.4	0	0	0	112.6	I541 S543 F671 I674 G675	I541-L545 PolarHBondContact O-N 3.33Å; I541-L545 VanDerWaalsContact O-N 3.11Å; S543-L545 VanDerWaalsContact C-N 3.35Å; S543-L545 PolarHBondContact O-N 3.31Å; L545-F671 HydrophobicContact CD2-CB 4.29Å; L545-F671 HydrophobicContact CD2-CD1 3.99Å; L545-F671 HydrophobicContact CG-CB 4.36Å; L545-F671 HydrophobicContact CG-CD1 4.34Å; L545-I674 HydrophobicContact CD2-CB 4.46Å; L545-I674 HydrophobicContact CD2-CG2 4.32Å; L545-G675 CarbonylContact O-C 3.56Å; L545-G675 WeakPolarHBondContact O-CA 2.94Å
546	A	94.8	Very high	93.8	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-110.7	-25.4	-173.3	0	0	0	0	0	113.9	S543 Q544 F548 I549 A696 C699 Y700	S543-A546 PolarHBondContact O-N 2.83Å; S543-A546 VanDerWaalsContact O-N 3.1Å; Q544-A546 PolarHBondContact O-N 2.86Å; A546-F548 VanDerWaalsContact C-N 3.27Å; A546-F548 PolarHBondContact O-N 2.9Å; A546-F548 VanDerWaalsContact O-N 3.09Å; A546-I549 WeakPolarHBondContact O-CB 3.49Å; A546-I549 PolarHBondContact O-N 2.99Å; A546-A696 HydrophobicContact CB-CB 3.9Å; A546-C699 HydrophobicContact CB-CB 3.7Å; A546-Y700 HydrophobicContact CB-CD2 3.56Å; A546-Y700 HydrophobicContact CB-CE2 3.55Å
547	Y	93.7	Very high	93.7	Very high	20 Å²	20	10.5 Å²	10.5	8%	0.078	6%	0.062	C	C	.	.	H	α-helix	trans	-50.4	-40.7	-171.4	176.3	-102.6	0	0	0	114.7	F53 S543 P550 F551 H579 R583 Y633 I641	F53-Y547 HydrophobicContact CE2-CE1 4.36Å; F53-Y547 HydrophobicContact CZ-CE1 4.16Å; S543-Y547 PolarHBondContact O-N 3.47Å; Y547-P550 WeakPolarHBondContact O-CD 3.21Å; Y547-F551 HydrophobicContact CE1-CE2 4.29Å; Y547-F551 HydrophobicContact CE2-CE2 4.22Å; Y547-F551 WeakPolarHBondContact O-CD2 3.26Å; Y547-H579 PolarHBondContact OH-CE1 3.34Å; Y547-H579 VanDerWaalsContact OH-CE1 3.3Å; Y547-R583 PolarHBondContact OH-NH2 3.04Å; Y547-Y633 PolarHBondContact O-OH 3.25Å; Y547-I641 HydrophobicContact CE2-CD1 3.8Å
548	F	90.8	Very high	93.6	Very high	3 Å²	3	10 Å²	10	1%	0.013	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-13.2	-177.2	-68.8	-66	0	0	0	114.7	F53 P87 L91 A546 F551 V552 P676	F53-F548 HydrophobicContact CB-CE1 4.41Å; F53-F548 AromaticContact CD1-CE1 3.79Å; F53-F548 HydrophobicContact CD1-CE1 3.79Å; F53-F548 HydrophobicContact CD1-CZ 4.38Å; F53-F548 AromaticContact CD2-CD1 3.91Å; F53-F548 HydrophobicContact CD2-CD1 3.91Å; F53-F548 AromaticContact CD2-CE1 3.55Å; F53-F548 HydrophobicContact CD2-CE1 3.55Å; F53-F548 AromaticContact CE1-CE1 3.74Å; F53-F548 HydrophobicContact CE1-CE1 3.74Å; F53-F548 HydrophobicContact CE1-CZ 4.22Å; F53-F548 HydrophobicContact CE2-CD1 4.17Å; F53-F548 AromaticContact CE2-CE1 3.62Å; F53-F548 HydrophobicContact CE2-CE1 3.62Å; F53-F548 HydrophobicContact CG-CD1 4.29Å; F53-F548 AromaticContact CG-CE1 3.68Å; F53-F548 HydrophobicContact CG-CE1 3.68Å; F53-F548 AromaticContact CZ-CE1 3.71Å; F53-F548 HydrophobicContact CZ-CE1 3.71Å; F53-F548 HydrophobicContact CZ-CZ 4.46Å; P87-F548 HydrophobicContact CB-CD1 4.19Å; P87-F548 HydrophobicContact CB-CD2 3.98Å; P87-F548 HydrophobicContact CB-CE1 3.64Å; P87-F548 HydrophobicContact CB-CE2 3.37Å; P87-F548 HydrophobicContact CB-CG 4.36Å; P87-F548 HydrophobicContact CB-CZ 3.2Å; P87-F548 HydrophobicContact CG-CD1 4.31Å; P87-F548 HydrophobicContact CG-CD2 4.04Å; P87-F548 HydrophobicContact CG-CE1 4.24Å; P87-F548 HydrophobicContact CG-CE2 3.95Å; P87-F548 HydrophobicContact CG-CG 4.23Å; P87-F548 HydrophobicContact CG-CZ 4.09Å; L91-F548 HydrophobicContact CD1-CE2 3.95Å; L91-F548 HydrophobicContact CD1-CZ 4.19Å; A546-F548 VanDerWaalsContact C-N 3.27Å; A546-F548 PolarHBondContact O-N 2.9Å; A546-F548 VanDerWaalsContact O-N 3.09Å; F548-F551 PolarHBondContact O-N 3.23Å; F548-V552 WeakPolarHBondContact O-CG2 3.47Å; F548-V552 PolarHBondContact O-N 2.75Å; F548-P676 HydrophobicContact CB-CG 3.95Å
549	I	93.3	Very high	93.4	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.005	6%	0.063	C	C	.	.	H	α-helix	trans	-56.1	-47.9	-176.7	-68.2	175.4	0	0	0	111.7	A546 F551 V552 Y553 P676 A679 L692 F693 A696	A546-I549 WeakPolarHBondContact O-CB 3.49Å; A546-I549 PolarHBondContact O-N 2.99Å; I549-F551 PolarHBondContact O-N 3.13Å; I549-V552 PolarHBondContact O-N 3.15Å; I549-Y553 HydrophobicContact CG2-CD2 4.17Å; I549-Y553 PolarHBondContact O-N 3.04Å; I549-P676 HydrophobicContact CG1-CB 4.34Å; I549-P676 HydrophobicContact CG1-CG 4.46Å; I549-A679 HydrophobicContact CD1-CB 3.77Å; I549-A679 HydrophobicContact CG1-CB 4.37Å; I549-L692 HydrophobicContact CG2-CB 4.16Å; I549-F693 HydrophobicContact CG2-CD1 4.48Å; I549-F693 HydrophobicContact CG2-CE1 4.34Å; I549-A696 HydrophobicContact CB-CB 4.45Å; I549-A696 HydrophobicContact CD1-CB 3.91Å; I549-A696 HydrophobicContact CG2-CB 4.37Å
550	P	92.5	Very high	93.2	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-67.2	-34.9	179.8	-21.7	36.2	0	0	0	112.9	Y547 L554 L575 H612 Y633 F693	Y547-P550 WeakPolarHBondContact O-CD 3.21Å; P550-L554 WeakPolarHBondContact O-CB 3.29Å; P550-L554 PolarHBondContact O-N 3.32Å; P550-L575 HydrophobicContact CB-CD1 4.1Å; P550-H612 WeakPolarHBondContact CG-CE1 3.12Å; P550-Y633 HydrophobicContact CB-CD1 4.42Å; P550-Y633 HydrophobicContact CB-CE1 3.92Å; P550-Y633 HydrophobicContact CG-CD1 4.28Å; P550-Y633 HydrophobicContact CG-CE1 3.58Å; P550-F693 HydrophobicContact CB-CE1 4.17Å; P550-F693 HydrophobicContact CG-CE1 4.08Å
551	F	87.3	Confident	93.1	Very high	1 Å²	1	17 Å²	17	0%	0.004	9%	0.092	C	C	.	.	H	α-helix	trans	-69.4	-36.5	179.5	-65.9	-78	0	0	0	112.2	T131 Y547 F548 I549 L575 H579	T131-F551 HydrophobicContact CG2-CD1 4.38Å; T131-F551 HydrophobicContact CG2-CE1 3.97Å; Y547-F551 HydrophobicContact CE1-CE2 4.29Å; Y547-F551 HydrophobicContact CE2-CE2 4.22Å; Y547-F551 WeakPolarHBondContact O-CD2 3.26Å; F548-F551 PolarHBondContact O-N 3.23Å; I549-F551 PolarHBondContact O-N 3.13Å; F551-L575 HydrophobicContact CD1-CD2 4.41Å; F551-L575 HydrophobicContact CE1-CD2 3.6Å; F551-L575 HydrophobicContact CZ-CD2 3.74Å; F551-H579 AromaticContact CZ-CE1 3.98Å
552	V	88.2	Confident	92.9	Very high	3 Å²	3	19 Å²	19	2%	0.018	12%	0.119	C	C	.	.	H	α-helix	trans	-82.3	-47.2	-179	179.9	0	0	0	0	111.5	F56 F548 I549	F56-V552 HydrophobicContact CD1-CG1 4Å; F56-V552 HydrophobicContact CD1-CG2 4.19Å; F56-V552 HydrophobicContact CE1-CG1 4.06Å; F548-V552 WeakPolarHBondContact O-CG2 3.47Å; F548-V552 PolarHBondContact O-N 2.75Å; I549-V552 PolarHBondContact O-N 3.15Å
553	Y	92.3	Very high	92.7	Very high	1 Å²	1	18.9 Å²	18.9	0%	0.004	12%	0.117	C	C	.	.	H	α-helix	trans	-110.1	-9.6	-163.9	-55.9	-62.5	0	0	0	115.2	S80 I549 I555 D556 Y557 P676 I680 L692	S80-Y553 WeakPolarHBondContact CB-OH 3.43Å; S80-Y553 PolarHBondContact OG-OH 3.12Å; I549-Y553 HydrophobicContact CG2-CD2 4.17Å; I549-Y553 PolarHBondContact O-N 3.04Å; Y553-I555 VanDerWaalsContact C-N 3.32Å; Y553-I555 PolarHBondContact O-N 3.03Å; Y553-D556 PolarHBondContact O-N 3.17Å; Y553-Y557 WeakPolarHBondContact O-CB 3.48Å; Y553-Y557 PolarHBondContact O-N 3.34Å; Y553-P676 HydrophobicContact CE2-CB 3.8Å; Y553-P676 PolarHBondContact OH-O 2.74Å; Y553-I680 HydrophobicContact CD1-CD1 4.36Å; Y553-I680 HydrophobicContact CE1-CB 4.22Å; Y553-I680 HydrophobicContact CE1-CD1 4.05Å; Y553-I680 HydrophobicContact CE1-CG1 4.16Å; Y553-I680 HydrophobicContact CE2-CB 4.42Å; Y553-I680 WeakPolarHBondContact OH-CG2 3.12Å; Y553-L692 HydrophobicContact CD2-CD2 4.02Å; Y553-L692 HydrophobicContact CE2-CD2 4.33Å; Y553-L692 HydrophobicContact CG-CD1 4.24Å; Y553-L692 HydrophobicContact CG-CD2 4.41Å
554	L	93.5	Very high	92.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-63.3	-37.1	-176.4	-176	60.6	0	0	0	113.1	P550 T558 V571 V572 L575 Y629 F693	P550-L554 WeakPolarHBondContact O-CB 3.29Å; P550-L554 PolarHBondContact O-N 3.32Å; L554-T558 HydrophobicContact CD1-CG2 4.17Å; L554-T558 WeakPolarHBondContact O-CB 3.48Å; L554-T558 WeakPolarHBondContact O-CG2 3.3Å; L554-T558 PolarHBondContact O-N 3.36Å; L554-T558 PolarHBondContact O-OG1 3.25Å; L554-V571 HydrophobicContact CD2-CG1 3.94Å; L554-V571 HydrophobicContact CG-CG1 4.43Å; L554-V572 HydrophobicContact CB-CG2 4.33Å; L554-V572 HydrophobicContact CD2-CG2 4.12Å; L554-V572 HydrophobicContact CG-CG2 4.4Å; L554-L575 HydrophobicContact CD2-CD1 3.88Å; L554-Y629 HydrophobicContact CD1-CD1 4.46Å; L554-Y629 HydrophobicContact CD1-CE1 3.89Å; L554-Y629 HydrophobicContact CD2-CE1 4.03Å; L554-F693 HydrophobicContact CB-CZ 4.17Å; L554-F693 HydrophobicContact CD1-CE1 4.33Å; L554-F693 HydrophobicContact CD1-CE2 4.46Å; L554-F693 HydrophobicContact CD1-CZ 3.76Å
555	I	91.8	Very high	92.3	Very high	5 Å²	5	26.9 Å²	26.9	3%	0.026	15%	0.152	C	C	.	.	H	α-helix	trans	-63.3	-51.8	176	-57	178.3	0	0	0	109.5	V58 L61 Y553 Y557 T558 V559 A568 V569 V572	V58-I555 HydrophobicContact CG2-CD1 4.03Å; L61-I555 HydrophobicContact CD2-CG2 4.29Å; Y553-I555 VanDerWaalsContact C-N 3.32Å; Y553-I555 PolarHBondContact O-N 3.03Å; I555-Y557 VanDerWaalsContact C-N 3.32Å; I555-Y557 PolarHBondContact O-N 3.44Å; I555-T558 PolarHBondContact O-N 3.1Å; I555-T558 PolarHBondContact O-OG1 2.88Å; I555-V559 HydrophobicContact CG2-CG2 4.36Å; I555-V559 WeakPolarHBondContact O-CB 2.99Å; I555-V559 VanDerWaalsContact O-CG2 3.25Å; I555-V559 WeakPolarHBondContact O-CG2 3.35Å; I555-V559 PolarHBondContact O-N 2.96Å; I555-A568 HydrophobicContact CG2-CB 3.94Å; I555-V569 HydrophobicContact CD1-CG2 4.24Å; I555-V572 HydrophobicContact CD1-CG2 4.15Å; I555-V572 HydrophobicContact CG1-CG2 3.58Å
556	D	91.3	Very high	92.1	Very high	10 Å²	10	29.2 Å²	29.2	5%	0.053	17%	0.165	C	C	.	.	H	α-helix	trans	-63.5	-37.5	-179.7	-175.5	76.3	0	0	0	112.8	Y60 R64 Y553 S560 K689	Y60-D556 HydrophobicContact CE1-CB 4.22Å; R64-D556 IonicContact CZ-OD1 3.91Å; R64-D556 IonicContact NH1-OD1 2.66Å; R64-D556 PolarHBondContact NH1-OD1 3.06Å; R64-D556 IonicContact NH1-OD2 3.58Å; Y553-D556 PolarHBondContact O-N 3.17Å; D556-S560 WeakPolarHBondContact O-CB 3.35Å; D556-S560 PolarHBondContact O-N 2.85Å; D556-S560 PolarHBondContact O-OG 2.87Å; D556-S560 VanDerWaalsContact O-OG 3.11Å; D556-K689 PolarHBondContact O-NZ 3.48Å; D556-K689 IonicContact OD1-NZ 3.99Å; D556-K689 IonicContact OD2-NZ 2.65Å; D556-K689 PolarHBondContact OD2-NZ 3.41Å
557	Y	94	Very high	92	Very high	1 Å²	1	31 Å²	31	0%	0.004	18%	0.177	C	C	.	.	H	α-helix	trans	-60.7	-52.6	176.2	-179.5	-91.2	0	0	0	111	Y553 I555 S560 Y561 L615 Y626 K689 D690 F693	Y553-Y557 WeakPolarHBondContact O-CB 3.48Å; Y553-Y557 PolarHBondContact O-N 3.34Å; I555-Y557 VanDerWaalsContact C-N 3.32Å; I555-Y557 PolarHBondContact O-N 3.44Å; Y557-S560 PolarHBondContact O-N 3.31Å; Y557-S560 PolarHBondContact O-OG 2.79Å; Y557-Y561 HydrophobicContact CD1-CD2 4.26Å; Y557-Y561 HydrophobicContact CD1-CE2 4.41Å; Y557-Y561 HydrophobicContact CD2-CE2 4.35Å; Y557-Y561 AromaticContact CE1-CD2 3.97Å; Y557-Y561 HydrophobicContact CE1-CD2 3.97Å; Y557-Y561 AromaticContact CE1-CE2 3.87Å; Y557-Y561 HydrophobicContact CE1-CE2 3.87Å; Y557-Y561 AromaticContact CE2-CE2 3.82Å; Y557-Y561 HydrophobicContact CE2-CE2 3.82Å; Y557-Y561 AromaticContact CZ-CE2 3.56Å; Y557-Y561 WeakPolarHBondContact O-CD2 3.46Å; Y557-Y561 PolarHBondContact O-N 3.49Å; Y557-L615 HydrophobicContact CE1-CD2 4.41Å; Y557-L615 HydrophobicContact CE1-CG 4.4Å; Y557-Y626 HydrophobicContact CD1-CE1 4.31Å; Y557-Y626 AromaticContact CE1-CE1 3.9Å; Y557-Y626 HydrophobicContact CE1-CE1 3.9Å; Y557-K689 HydrophobicContact CD2-CB 4Å; Y557-K689 HydrophobicContact CE2-CB 4.19Å; Y557-D690 PolarHBondContact OH-OD1 3.31Å; Y557-D690 VanDerWaalsContact OH-OD1 3.14Å; Y557-F693 HydrophobicContact CD1-CD2 4.49Å; Y557-F693 AromaticContact CD1-CE2 3.96Å; Y557-F693 HydrophobicContact CD1-CE2 3.96Å; Y557-F693 AromaticContact CD2-CD2 3.78Å; Y557-F693 HydrophobicContact CD2-CD2 3.78Å; Y557-F693 AromaticContact CD2-CE2 3.54Å; Y557-F693 HydrophobicContact CD2-CE2 3.54Å; Y557-F693 HydrophobicContact CE1-CD2 4.49Å; Y557-F693 HydrophobicContact CE1-CE2 4.39Å; Y557-F693 AromaticContact CE2-CD2 3.77Å; Y557-F693 HydrophobicContact CE2-CD2 3.77Å; Y557-F693 AromaticContact CE2-CE2 4Å; Y557-F693 HydrophobicContact CE2-CE2 4Å; Y557-F693 HydrophobicContact CG-CD2 4.15Å; Y557-F693 AromaticContact CG-CE2 3.51Å; Y557-F693 HydrophobicContact CG-CE2 3.51Å
558	T	94.1	Very high	91.9	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-66.8	-40.7	-178.1	48.1	0	0	0	0	113.1	L554 I555 S560 Y561 M563 A568 Y626	L554-T558 HydrophobicContact CD1-CG2 4.17Å; L554-T558 WeakPolarHBondContact O-CB 3.48Å; L554-T558 WeakPolarHBondContact O-CG2 3.3Å; L554-T558 PolarHBondContact O-N 3.36Å; L554-T558 PolarHBondContact O-OG1 3.25Å; I555-T558 PolarHBondContact O-N 3.1Å; I555-T558 PolarHBondContact O-OG1 2.88Å; T558-S560 VanDerWaalsContact C-N 3.29Å; T558-S560 PolarHBondContact O-N 3.26Å; T558-Y561 PolarHBondContact O-N 2.99Å; T558-M563 HydrophobicContact CG2-CE 3.28Å; T558-M563 WeakPolarHBondContact O-CB 3.29Å; T558-M563 PolarHBondContact O-N 3.05Å; T558-A568 VanDerWaalsContact OG1-CB 3.23Å; T558-A568 WeakPolarHBondContact OG1-CB 3.46Å; T558-Y626 HydrophobicContact CG2-CD1 3.88Å; T558-Y626 HydrophobicContact CG2-CD2 4.01Å; T558-Y626 HydrophobicContact CG2-CE1 4.03Å; T558-Y626 HydrophobicContact CG2-CE2 4.09Å; T558-Y626 HydrophobicContact CG2-CG 3.86Å
559	V	93.3	Very high	91.9	Very high	46 Å²	46	30.2 Å²	30.2	28%	0.279	18%	0.175	S	C	.	.	H	α-helix	trans	-62.7	-36.9	175.5	171.3	0	0	0	0	111.3	I555 Y561 G562 M563 A568	I555-V559 HydrophobicContact CG2-CG2 4.36Å; I555-V559 WeakPolarHBondContact O-CB 2.99Å; I555-V559 VanDerWaalsContact O-CG2 3.25Å; I555-V559 WeakPolarHBondContact O-CG2 3.35Å; I555-V559 PolarHBondContact O-N 2.96Å; V559-Y561 PolarHBondContact O-N 2.82Å; V559-G562 PolarHBondContact O-N 3.28Å; V559-M563 WeakPolarHBondContact CA-O 3.46Å; V559-A568 HydrophobicContact CG2-CB 3.8Å
560	S	91.7	Very high	91.8	Very high	60 Å²	60	34 Å²	34	42%	0.42	20%	0.195	S	C	.	.	H	α-helix	trans	-68.4	-20.7	177.4	56	0	0	0	0	115.3	D556 Y557 T558 K689	D556-S560 WeakPolarHBondContact O-CB 3.35Å; D556-S560 PolarHBondContact O-N 2.85Å; D556-S560 PolarHBondContact O-OG 2.87Å; D556-S560 VanDerWaalsContact O-OG 3.11Å; Y557-S560 PolarHBondContact O-N 3.31Å; Y557-S560 PolarHBondContact O-OG 2.79Å; T558-S560 VanDerWaalsContact C-N 3.29Å; T558-S560 PolarHBondContact O-N 3.26Å; S560-K689 WeakPolarHBondContact OG-CD 3.1Å; S560-K689 WeakPolarHBondContact OG-CE 3.47Å; S560-K689 PolarHBondContact OG-NZ 3.22Å
561	Y	93.4	Very high	91.9	Very high	82 Å²	82	34 Å²	34	32%	0.322	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	10.2	170.2	-76.2	-69.9	0	0	0	112.9	Y557 T558 V559 H621 D690	Y557-Y561 HydrophobicContact CD1-CD2 4.26Å; Y557-Y561 HydrophobicContact CD1-CE2 4.41Å; Y557-Y561 HydrophobicContact CD2-CE2 4.35Å; Y557-Y561 AromaticContact CE1-CD2 3.97Å; Y557-Y561 HydrophobicContact CE1-CD2 3.97Å; Y557-Y561 AromaticContact CE1-CE2 3.87Å; Y557-Y561 HydrophobicContact CE1-CE2 3.87Å; Y557-Y561 AromaticContact CE2-CE2 3.82Å; Y557-Y561 HydrophobicContact CE2-CE2 3.82Å; Y557-Y561 AromaticContact CZ-CE2 3.56Å; Y557-Y561 WeakPolarHBondContact O-CD2 3.46Å; Y557-Y561 PolarHBondContact O-N 3.49Å; T558-Y561 PolarHBondContact O-N 2.99Å; V559-Y561 PolarHBondContact O-N 2.82Å; Y561-H621 AromaticContact CD1-CD2 3.63Å; Y561-H621 AromaticContact CD1-CE1 3.63Å; Y561-H621 AromaticContact CD1-CG 3.92Å; Y561-H621 AromaticContact CD1-ND1 3.91Å; Y561-H621 AromaticContact CD1-NE2 3.44Å; Y561-H621 WeakPolarHBondContact CD1-NE2 3.44Å; Y561-H621 AromaticContact CE1-CE1 3.65Å; Y561-H621 AromaticContact CE1-NE2 3.53Å; Y561-H621 AromaticContact CG-CE1 3.97Å; Y561-H621 AromaticContact CG-CG 3.97Å; Y561-H621 AromaticContact CG-ND1 3.84Å; Y561-H621 AromaticContact CZ-CE1 3.98Å; Y561-D690 PolarHBondContact OH-OD1 3Å; Y561-D690 PolarHBondContact OH-OD2 3.35Å
562	G	92.3	Very high	92.1	Very high	70 Å²	70	34.1 Å²	34.1	72%	0.722	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	96.1	7.6	172.1	0	0	0	0	0	115.4	V559	V559-G562 PolarHBondContact O-N 3.28Å
563	M	94.1	Very high	92.3	Very high	20 Å²	20	36.3 Å²	36.3	10%	0.099	21%	0.206	C	C	.	.			trans	-73	144.2	172	-68.5	-148.3	-65.3	0	0	111.6	T558 V559 V571 F623 Y626	T558-M563 HydrophobicContact CG2-CE 3.28Å; T558-M563 WeakPolarHBondContact O-CB 3.29Å; T558-M563 PolarHBondContact O-N 3.05Å; V559-M563 WeakPolarHBondContact CA-O 3.46Å; M563-V571 HydrophobicContact CE-CG2 4.16Å; M563-F623 HydrophobicContact SD-CB 4.09Å; M563-Y626 HydrophobicContact CE-CD2 3.08Å; M563-Y626 HydrophobicContact CE-CE2 3.58Å; M563-Y626 HydrophobicContact CE-CG 3.78Å; M563-Y626 HydrophobicContact CG-CE2 4.43Å; M563-Y626 HydrophobicContact SD-CD2 3.62Å; M563-Y626 HydrophobicContact SD-CE2 4.02Å
564	E	93	Very high	92.5	Very high	133 Å²	133	38 Å²	38	62%	0.621	22%	0.215	S	C	*	.			trans	-65.8	146.1	171.9	-174.8	171.6	-161.3	0	0	111	D566 S567 A568	E564-D566 VanDerWaalsContact C-N 3.32Å; E564-D566 PolarHBondContact O-N 3.16Å; E564-S567 WeakPolarHBondContact O-CB 3.39Å; E564-S567 PolarHBondContact O-N 3.42Å; E564-S567 VanDerWaalsContact O-N 3.15Å; E564-A568 PolarHBondContact O-N 3.24Å
565	Q	88.6	Confident	92.5	Very high	70 Å²	70	38 Å²	38	33%	0.327	22%	0.215	S	C	.	.	H	α-helix	trans	-57.4	-42.7	-177.6	179.4	177.6	-30.9	0	0	112.5	L61 N139 S567 A568 V569	L61-Q565 HydrophobicContact CD2-CG 3.77Å; N139-Q565 PolarHBondContact OD1-NE2 3.41Å; Q565-S567 VanDerWaalsContact C-N 3.32Å; Q565-S567 PolarHBondContact O-N 3.25Å; Q565-A568 WeakPolarHBondContact O-CB 3.44Å; Q565-A568 PolarHBondContact O-N 3.1Å; Q565-V569 WeakPolarHBondContact O-CG2 3.48Å; Q565-V569 PolarHBondContact O-N 3.5Å
566	D	89.4	Confident	92.7	Very high	87 Å²	87	37.8 Å²	37.8	47%	0.465	21%	0.214	S	C	.	.	H	α-helix	trans	-64.3	-39.8	179.6	-72.7	-23.8	0	0	0	111.5	N139 E564 V569 L570	N139-D566 PolarHBondContact ND2-OD1 3.19Å; E564-D566 VanDerWaalsContact C-N 3.32Å; E564-D566 PolarHBondContact O-N 3.16Å; D566-V569 PolarHBondContact O-N 3.27Å; D566-L570 WeakPolarHBondContact O-CG 3.07Å; D566-L570 PolarHBondContact O-N 2.95Å; D566-L570 VanDerWaalsContact O-N 3.09Å
567	S	93.3	Very high	92.9	Very high	37 Å²	37	41 Å²	41	26%	0.259	23%	0.23	S	C	.	.	H	α-helix	trans	-65.3	-38.9	173.5	-66.9	0	0	0	0	112	E564 Q565 L570 V571 F623	E564-S567 WeakPolarHBondContact O-CB 3.39Å; E564-S567 PolarHBondContact O-N 3.42Å; E564-S567 VanDerWaalsContact O-N 3.15Å; Q565-S567 VanDerWaalsContact C-N 3.32Å; Q565-S567 PolarHBondContact O-N 3.25Å; S567-L570 WeakPolarHBondContact O-CB 3.36Å; S567-L570 PolarHBondContact O-N 2.79Å; S567-V571 PolarHBondContact O-N 3.12Å; S567-F623 WeakPolarHBondContact O-CE2 3.23Å
568	A	91.9	Very high	93.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.3	-38.2	176	0	0	0	0	0	112.6	I555 T558 V559 E564 Q565 L570 V571 V572	I555-A568 HydrophobicContact CG2-CB 3.94Å; T558-A568 VanDerWaalsContact OG1-CB 3.23Å; T558-A568 WeakPolarHBondContact OG1-CB 3.46Å; V559-A568 HydrophobicContact CG2-CB 3.8Å; E564-A568 PolarHBondContact O-N 3.24Å; Q565-A568 WeakPolarHBondContact O-CB 3.44Å; Q565-A568 PolarHBondContact O-N 3.1Å; A568-L570 VanDerWaalsContact C-N 3.34Å; A568-V571 WeakPolarHBondContact O-CB 3.23Å; A568-V571 PolarHBondContact O-N 2.74Å; A568-V572 PolarHBondContact O-N 3.41Å
569	V	90.1	Very high	93.1	Very high	7 Å²	7	44.4 Å²	44.4	4%	0.042	25%	0.245	C	C	.	.	H	α-helix	trans	-63	-41.3	173.1	172.6	0	0	0	0	110.6	I555 Q565 D566 V571 V572 M573	I555-V569 HydrophobicContact CD1-CG2 4.24Å; Q565-V569 WeakPolarHBondContact O-CG2 3.48Å; Q565-V569 PolarHBondContact O-N 3.5Å; D566-V569 PolarHBondContact O-N 3.27Å; V569-V571 VanDerWaalsContact C-N 3.27Å; V569-V571 PolarHBondContact O-N 3.41Å; V569-V572 PolarHBondContact O-N 3.3Å; V569-V572 VanDerWaalsContact O-N 3.12Å; V569-M573 HydrophobicContact CG1-SD 4.38Å; V569-M573 WeakPolarHBondContact O-CG 3.41Å; V569-M573 PolarHBondContact O-N 3.12Å
570	L	92.1	Very high	93.2	Very high	82 Å²	82	43.1 Å²	43.1	43%	0.429	24%	0.237	S	C	.	.	H	α-helix	trans	-59.7	-35	175.2	-70	175.1	0	0	0	112.6	D566 S567 A568 M573 I574 F623	D566-L570 WeakPolarHBondContact O-CG 3.07Å; D566-L570 PolarHBondContact O-N 2.95Å; D566-L570 VanDerWaalsContact O-N 3.09Å; S567-L570 WeakPolarHBondContact O-CB 3.36Å; S567-L570 PolarHBondContact O-N 2.79Å; A568-L570 VanDerWaalsContact C-N 3.34Å; L570-M573 HydrophobicContact CD2-CE 4.48Å; L570-M573 HydrophobicContact CD2-SD 3.81Å; L570-M573 WeakPolarHBondContact O-CB 3.23Å; L570-M573 PolarHBondContact O-N 3.3Å; L570-I574 WeakPolarHBondContact O-CG1 3.34Å; L570-I574 PolarHBondContact O-N 3.24Å; L570-F623 HydrophobicContact CB-CE2 3.79Å; L570-F623 HydrophobicContact CB-CZ 4.07Å
571	V	94.2	Very high	93.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.2	-43.9	174.4	175.1	0	0	0	0	111.3	L554 M563 S567 A568 V569 M573 I574 L575 F623 A630	L554-V571 HydrophobicContact CD2-CG1 3.94Å; L554-V571 HydrophobicContact CG-CG1 4.43Å; M563-V571 HydrophobicContact CE-CG2 4.16Å; S567-V571 PolarHBondContact O-N 3.12Å; A568-V571 WeakPolarHBondContact O-CB 3.23Å; A568-V571 PolarHBondContact O-N 2.74Å; V569-V571 VanDerWaalsContact C-N 3.27Å; V569-V571 PolarHBondContact O-N 3.41Å; V571-M573 VanDerWaalsContact C-N 3.31Å; V571-M573 PolarHBondContact O-N 3.36Å; V571-I574 PolarHBondContact O-N 2.98Å; V571-L575 PolarHBondContact O-N 3.43Å; V571-F623 HydrophobicContact CG2-CD2 3.68Å; V571-F623 HydrophobicContact CG2-CE2 3.64Å; V571-A630 HydrophobicContact CG1-CB 3.85Å; V571-A630 WeakPolarHBondContact O-CB 3.39Å
572	V	91.5	Very high	93.6	Very high	2 Å²	2	40 Å²	40	1%	0.012	22%	0.221	C	C	.	.	H	α-helix	trans	-68.3	-31.6	176.4	176.1	0	0	0	0	111.8	L554 I555 A568 V569 L575 S576	L554-V572 HydrophobicContact CB-CG2 4.33Å; L554-V572 HydrophobicContact CD2-CG2 4.12Å; L554-V572 HydrophobicContact CG-CG2 4.4Å; I555-V572 HydrophobicContact CD1-CG2 4.15Å; I555-V572 HydrophobicContact CG1-CG2 3.58Å; A568-V572 PolarHBondContact O-N 3.41Å; V569-V572 PolarHBondContact O-N 3.3Å; V569-V572 VanDerWaalsContact O-N 3.12Å; V572-L575 WeakPolarHBondContact O-CB 3.15Å; V572-L575 PolarHBondContact O-N 2.86Å; V572-S576 PolarHBondContact O-N 3.46Å; V572-S576 PolarHBondContact O-OG 2.94Å; V572-S576 VanDerWaalsContact O-OG 3.04Å
573	M	92.5	Very high	93.7	Very high	50 Å²	50	36.7 Å²	36.7	25%	0.246	19%	0.187	C	C	.	.	H	α-helix	trans	-63.9	-47.3	171.8	-69.2	175.3	62.8	0	0	111.3	L132 V136 V569 L570 V571 L575 S576 I577	L132-M573 HydrophobicContact CD1-CB 4.05Å; L132-M573 HydrophobicContact CD1-CE 4.46Å; L132-M573 HydrophobicContact CD1-CG 4.42Å; V136-M573 HydrophobicContact CG2-CE 3.78Å; V136-M573 HydrophobicContact CG2-CG 4.02Å; V136-M573 HydrophobicContact CG2-SD 3.49Å; V136-M573 WeakPolarHBondContact CG2-SD 3.39Å; V569-M573 HydrophobicContact CG1-SD 4.38Å; V569-M573 WeakPolarHBondContact O-CG 3.41Å; V569-M573 PolarHBondContact O-N 3.12Å; L570-M573 HydrophobicContact CD2-CE 4.48Å; L570-M573 HydrophobicContact CD2-SD 3.81Å; L570-M573 WeakPolarHBondContact O-CB 3.23Å; L570-M573 PolarHBondContact O-N 3.3Å; V571-M573 VanDerWaalsContact C-N 3.31Å; V571-M573 PolarHBondContact O-N 3.36Å; M573-L575 VanDerWaalsContact C-N 3.3Å; M573-L575 PolarHBondContact O-N 3.42Å; M573-S576 PolarHBondContact O-N 2.87Å; M573-S576 VanDerWaalsContact O-N 3.08Å; M573-I577 WeakPolarHBondContact O-CG1 3.2Å; M573-I577 PolarHBondContact O-N 3.26Å
574	I	95.7	Very high	93.7	Very high	37 Å²	37	38.1 Å²	38.1	19%	0.19	19%	0.194	C	C	.	.	H	α-helix	trans	-57.8	-45.4	175.5	-68.3	167	0	0	0	110.3	L570 V571 S576 I577 F578 F623 S627 A630 S631	L570-I574 WeakPolarHBondContact O-CG1 3.34Å; L570-I574 PolarHBondContact O-N 3.24Å; V571-I574 PolarHBondContact O-N 2.98Å; I574-S576 VanDerWaalsContact C-N 3.28Å; I574-S576 PolarHBondContact O-N 2.86Å; I574-I577 PolarHBondContact O-N 3.34Å; I574-F578 HydrophobicContact CG2-CD2 3.99Å; I574-F578 HydrophobicContact CG2-CE2 4.15Å; I574-F578 WeakPolarHBondContact O-CD2 3.48Å; I574-F578 PolarHBondContact O-N 3.43Å; I574-F578 VanDerWaalsContact O-N 3.11Å; I574-F623 HydrophobicContact CD1-CZ 3.87Å; I574-S627 WeakPolarHBondContact CD1-OG 3.22Å; I574-A630 HydrophobicContact CB-CB 4.42Å; I574-A630 HydrophobicContact CG2-CB 4.15Å; I574-S631 VanDerWaalsContact CG2-OG 3.31Å; I574-S631 WeakPolarHBondContact CG2-OG 3.5Å
575	L	95.2	Very high	93.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-52.9	-48.3	174.2	-175.1	158	0	0	0	111	P550 F551 L554 V571 V572 M573 F578 H579 A630 Y633 G634	P550-L575 HydrophobicContact CB-CD1 4.1Å; F551-L575 HydrophobicContact CD1-CD2 4.41Å; F551-L575 HydrophobicContact CE1-CD2 3.6Å; F551-L575 HydrophobicContact CZ-CD2 3.74Å; L554-L575 HydrophobicContact CD2-CD1 3.88Å; V571-L575 PolarHBondContact O-N 3.43Å; V572-L575 WeakPolarHBondContact O-CB 3.15Å; V572-L575 PolarHBondContact O-N 2.86Å; M573-L575 VanDerWaalsContact C-N 3.3Å; M573-L575 PolarHBondContact O-N 3.42Å; L575-F578 PolarHBondContact O-N 2.85Å; L575-H579 WeakPolarHBondContact O-CB 3.49Å; L575-H579 PolarHBondContact O-N 3.29Å; L575-A630 WeakPolarHBondContact CA-O 3.44Å; L575-A630 HydrophobicContact CB-CB 3.89Å; L575-Y633 HydrophobicContact CD1-CD1 3.79Å; L575-Y633 HydrophobicContact CD1-CE1 4.19Å; L575-Y633 HydrophobicContact CG-CD1 4.2Å; L575-G634 WeakPolarHBondContact O-CA 3.48Å
576	S	94.7	Very high	93.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-68.9	-33.8	-177.6	-63.3	0	0	0	0	113.8	T131 V572 M573 I574 H579 T580	T131-S576 WeakPolarHBondContact CB-OG 3.37Å; T131-S576 PolarHBondContact O-OG 3.2Å; T131-S576 WeakPolarHBondContact OG1-CB 3.16Å; T131-S576 PolarHBondContact OG1-OG 2.77Å; V572-S576 PolarHBondContact O-N 3.46Å; V572-S576 PolarHBondContact O-OG 2.94Å; V572-S576 VanDerWaalsContact O-OG 3.04Å; M573-S576 PolarHBondContact O-N 2.87Å; M573-S576 VanDerWaalsContact O-N 3.08Å; I574-S576 VanDerWaalsContact C-N 3.28Å; I574-S576 PolarHBondContact O-N 2.86Å; S576-H579 PolarHBondContact O-N 2.94Å; S576-T580 PolarHBondContact O-N 2.85Å; S576-T580 PolarHBondContact O-OG1 3.26Å
577	I	95.8	Very high	93.7	Very high	77 Å²	77	26.6 Å²	26.6	40%	0.395	14%	0.141	S	C	.	.	H	α-helix	trans	-61.4	-54.4	173.2	-66.5	169.7	0	0	0	109.5	L132 M573 I574 H579 T580 L581	L132-I577 HydrophobicContact CD1-CD1 4.24Å; L132-I577 HydrophobicContact CD1-CG1 3.64Å; M573-I577 WeakPolarHBondContact O-CG1 3.2Å; M573-I577 PolarHBondContact O-N 3.26Å; I574-I577 PolarHBondContact O-N 3.34Å; I577-H579 VanDerWaalsContact C-N 3.28Å; I577-H579 PolarHBondContact O-N 3.4Å; I577-T580 WeakPolarHBondContact O-CB 3.32Å; I577-T580 PolarHBondContact O-N 3.36Å; I577-T580 VanDerWaalsContact O-N 3.16Å; I577-L581 HydrophobicContact CG2-CD1 4.21Å; I577-L581 WeakPolarHBondContact O-CG 3.36Å; I577-L581 PolarHBondContact O-N 3.49Å
578	F	97.2	Very high	93.5	Very high	73 Å²	73	27.8 Å²	27.8	32%	0.32	14%	0.144	S	C	.	.	H	α-helix	trans	-68.1	-30.1	-179	-80.1	-85.8	0	0	0	112.4	I574 L575 L581 G582 S631 L635	I574-F578 HydrophobicContact CG2-CD2 3.99Å; I574-F578 HydrophobicContact CG2-CE2 4.15Å; I574-F578 WeakPolarHBondContact O-CD2 3.48Å; I574-F578 PolarHBondContact O-N 3.43Å; I574-F578 VanDerWaalsContact O-N 3.11Å; L575-F578 PolarHBondContact O-N 2.85Å; F578-L581 HydrophobicContact CD1-CD1 4.29Å; F578-L581 HydrophobicContact CE1-CD1 4.48Å; F578-L581 PolarHBondContact O-N 3.26Å; F578-G582 PolarHBondContact O-N 3.33Å; F578-S631 WeakPolarHBondContact CB-O 3.35Å; F578-S631 WeakPolarHBondContact CE2-OG 3.16Å; F578-L635 HydrophobicContact CB-CB 4.39Å; F578-L635 WeakPolarHBondContact O-CA 3.22Å
579	H	95.5	Very high	93.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61.8	-43.3	170.4	-173.4	-139.3	0	0	0	112.6	Y547 F551 L575 S576 I577 G582 R583 G634 S637 G638 I641	Y547-H579 PolarHBondContact OH-CE1 3.34Å; Y547-H579 VanDerWaalsContact OH-CE1 3.3Å; F551-H579 AromaticContact CZ-CE1 3.98Å; L575-H579 WeakPolarHBondContact O-CB 3.49Å; L575-H579 PolarHBondContact O-N 3.29Å; S576-H579 PolarHBondContact O-N 2.94Å; I577-H579 VanDerWaalsContact C-N 3.28Å; I577-H579 PolarHBondContact O-N 3.4Å; H579-G582 PolarHBondContact O-N 3.45Å; H579-R583 PolarHBondContact CE1-NH2 2.67Å; H579-R583 PolarHBondContact NE2-NH2 2.9Å; H579-R583 WeakPolarHBondContact O-CG 3.39Å; H579-R583 PolarHBondContact O-N 3.32Å; H579-G634 WeakPolarHBondContact CA-O 3.49Å; H579-S637 PolarHBondContact CD2-OG 3.3Å; H579-G638 WeakPolarHBondContact CD2-CA 3.21Å; H579-G638 PolarHBondContact CD2-N 3.09Å; H579-I641 WeakPolarHBondContact NE2-CD1 3.29Å
580	T	95.1	Very high	93.1	Very high	19 Å²	19	30.1 Å²	30.1	12%	0.117	16%	0.155	C	C	.	.	H	α-helix	trans	-62	-46.5	172.5	-52.5	0	0	0	0	111.2	G128 V129 S576 I577 G582 R583 I584	G128-T580 WeakPolarHBondContact CA-OG1 3.42Å; G128-T580 PolarHBondContact O-OG1 2.89Å; V129-T580 HydrophobicContact CG2-CG2 3.99Å; V129-T580 PolarHBondContact N-OG1 3.48Å; S576-T580 PolarHBondContact O-N 2.85Å; S576-T580 PolarHBondContact O-OG1 3.26Å; I577-T580 WeakPolarHBondContact O-CB 3.32Å; I577-T580 PolarHBondContact O-N 3.36Å; I577-T580 VanDerWaalsContact O-N 3.16Å; T580-G582 VanDerWaalsContact C-N 3.31Å; T580-G582 PolarHBondContact O-N 2.92Å; T580-R583 PolarHBondContact O-N 3.5Å; T580-I584 HydrophobicContact CG2-CD1 4.24Å; T580-I584 WeakPolarHBondContact O-CG1 3.48Å; T580-I584 PolarHBondContact O-N 3.48Å; T580-I584 VanDerWaalsContact O-N 3.16Å
581	L	96.2	Very high	92.6	Very high	76 Å²	76	27.2 Å²	27.2	40%	0.398	14%	0.14	S	C	.	.	H	α-helix	trans	-62.7	-37.2	177.7	-67.6	174.9	0	0	0	112	I577 F578 R583 I584 T585 L635	I577-L581 HydrophobicContact CG2-CD1 4.21Å; I577-L581 WeakPolarHBondContact O-CG 3.36Å; I577-L581 PolarHBondContact O-N 3.49Å; F578-L581 HydrophobicContact CD1-CD1 4.29Å; F578-L581 HydrophobicContact CE1-CD1 4.48Å; F578-L581 PolarHBondContact O-N 3.26Å; L581-R583 VanDerWaalsContact C-N 3.31Å; L581-R583 PolarHBondContact O-N 3.45Å; L581-I584 PolarHBondContact O-N 3.31Å; L581-T585 WeakPolarHBondContact O-CB 3.45Å; L581-T585 VanDerWaalsContact O-CG2 3.23Å; L581-T585 WeakPolarHBondContact O-CG2 3.31Å; L581-T585 PolarHBondContact O-N 2.91Å; L581-T585 PolarHBondContact O-OG1 2.92Å; L581-L635 HydrophobicContact CB-CD1 4.42Å
582	G	96.2	Very high	92.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-59	-40.3	174.4	0	0	0	0	0	112.6	F578 H579 T580 T585 S586 I639	F578-G582 PolarHBondContact O-N 3.33Å; H579-G582 PolarHBondContact O-N 3.45Å; T580-G582 VanDerWaalsContact C-N 3.31Å; T580-G582 PolarHBondContact O-N 2.92Å; G582-T585 VanDerWaalsContact CA-OG1 3.28Å; G582-T585 WeakPolarHBondContact CA-OG1 3.49Å; G582-T585 PolarHBondContact O-OG1 3.46Å; G582-S586 WeakPolarHBondContact O-CB 3.45Å; G582-S586 PolarHBondContact O-N 3.28Å; G582-S586 PolarHBondContact O-OG 3.02Å; G582-I639 WeakPolarHBondContact O-CG1 3.32Å
583	R	95.4	Very high	91.6	Very high	1 Å²	1	38.2 Å²	38.2	0%	0.004	20%	0.195	C	C	.	.	H	α-helix	trans	-70	-36.8	177.5	-66.1	-179.4	-175.9	-147.2	8.7	112.7	D50 G121 M124 A127 Y547 H579 T580 L581 S586 G587 G638 I641 P642	D50-R583 IonicContact OD2-CZ 3.79Å; D50-R583 IonicContact OD2-NH1 2.93Å; D50-R583 IonicContact OD2-NH2 3.72Å; D50-R583 PolarHBondContact OD2-NH2 2.87Å; G121-R583 VanDerWaalsContact CA-O 3.25Å; G121-R583 WeakPolarHBondContact CA-O 3.39Å; M124-R583 VanDerWaalsContact O-CD 3.22Å; M124-R583 WeakPolarHBondContact O-CD 3.37Å; M124-R583 PolarHBondContact O-NH1 3.45Å; A127-R583 VanDerWaalsContact CB-CZ 3.43Å; Y547-R583 PolarHBondContact OH-NH2 3.04Å; H579-R583 PolarHBondContact CE1-NH2 2.67Å; H579-R583 PolarHBondContact NE2-NH2 2.9Å; H579-R583 WeakPolarHBondContact O-CG 3.39Å; H579-R583 PolarHBondContact O-N 3.32Å; T580-R583 PolarHBondContact O-N 3.5Å; L581-R583 VanDerWaalsContact C-N 3.31Å; L581-R583 PolarHBondContact O-N 3.45Å; R583-S586 WeakPolarHBondContact CA-OG 3.39Å; R583-S586 PolarHBondContact O-OG 3.42Å; R583-G587 PolarHBondContact O-N 3.34Å; R583-G638 WeakPolarHBondContact CG-O 3.36Å; R583-I641 VanDerWaalsContact NH2-CD1 3.28Å; R583-P642 HydrophobicContact CB-CG 4.44Å
584	I	94.6	Very high	91.1	Very high	49 Å²	49	40.7 Å²	40.7	25%	0.251	21%	0.206	S	C	.	.	H	α-helix	trans	-73.3	-45.8	177	-61.9	168.7	0	0	0	110.3	T580 L581 S586 G587 I588	T580-I584 HydrophobicContact CG2-CD1 4.24Å; T580-I584 WeakPolarHBondContact O-CG1 3.48Å; T580-I584 PolarHBondContact O-N 3.48Å; T580-I584 VanDerWaalsContact O-N 3.16Å; L581-I584 PolarHBondContact O-N 3.31Å; I584-S586 PolarHBondContact O-N 3.01Å; I584-G587 PolarHBondContact O-N 3.42Å; I584-I588 HydrophobicContact CG2-CD1 3.89Å; I584-I588 WeakPolarHBondContact O-CG1 3.5Å; I584-I588 PolarHBondContact O-N 3.48Å; I584-I588 VanDerWaalsContact O-N 3.1Å
585	T	92	Very high	90.5	Very high	49 Å²	49	42 Å²	42	30%	0.301	21%	0.213	S	C	.	.	H	α-helix	trans	-63.3	-41.2	-179.5	50.2	0	0	0	0	111.9	L581 G582 G587 I588 M589	L581-T585 WeakPolarHBondContact O-CB 3.45Å; L581-T585 VanDerWaalsContact O-CG2 3.23Å; L581-T585 WeakPolarHBondContact O-CG2 3.31Å; L581-T585 PolarHBondContact O-N 2.91Å; L581-T585 PolarHBondContact O-OG1 2.92Å; G582-T585 VanDerWaalsContact CA-OG1 3.28Å; G582-T585 WeakPolarHBondContact CA-OG1 3.49Å; G582-T585 PolarHBondContact O-OG1 3.46Å; T585-G587 PolarHBondContact O-N 3.02Å; T585-I588 PolarHBondContact O-N 2.98Å; T585-M589 VanDerWaalsContact O-CB 3.27Å; T585-M589 WeakPolarHBondContact O-CB 3.32Å; T585-M589 WeakPolarHBondContact O-CG 3.27Å; T585-M589 PolarHBondContact O-N 3.12Å
586	S	91.9	Very high	90.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-58.5	-45.4	174.5	47.3	0	0	0	0	112.9	G582 R583 I584 I588 M589 S590 I639 P642	G582-S586 WeakPolarHBondContact O-CB 3.45Å; G582-S586 PolarHBondContact O-N 3.28Å; G582-S586 PolarHBondContact O-OG 3.02Å; R583-S586 WeakPolarHBondContact CA-OG 3.39Å; R583-S586 PolarHBondContact O-OG 3.42Å; I584-S586 PolarHBondContact O-N 3.01Å; S586-I588 VanDerWaalsContact C-N 3.33Å; S586-I588 PolarHBondContact O-N 2.96Å; S586-M589 PolarHBondContact O-N 3.48Å; S586-S590 PolarHBondContact O-N 3.43Å; S586-S590 PolarHBondContact O-OG 2.8Å; S586-I639 WeakPolarHBondContact CB-O 3.19Å; S586-P642 WeakPolarHBondContact OG-CG 3.5Å
587	G	86.1	Confident	89.9	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-63.9	-35.1	176.5	0	0	0	0	0	113.7	G117 L118 R583 I584 T585 S590 N591	G117-G587 WeakPolarHBondContact O-CA 3.01Å; L118-G587 PolarHBondContact N-O 3.15Å; R583-G587 PolarHBondContact O-N 3.34Å; I584-G587 PolarHBondContact O-N 3.42Å; T585-G587 PolarHBondContact O-N 3.02Å; G587-S590 PolarHBondContact O-OG 2.9Å; G587-N591 WeakPolarHBondContact O-CB 3.33Å; G587-N591 PolarHBondContact O-N 3.37Å; G587-N591 PolarHBondContact O-OD1 2.95Å
588	I	89.8	Confident	89.8	Confident	61 Å²	61	38.9 Å²	38.9	31%	0.313	20%	0.197	S	C	.	.	H	α-helix	trans	-71.9	-43	173.6	-64.5	168.7	0	0	0	110.6	L118 I584 T585 S586 N591 V592 F593	L118-I588 HydrophobicContact CD1-CG1 3.89Å; I584-I588 HydrophobicContact CG2-CD1 3.89Å; I584-I588 WeakPolarHBondContact O-CG1 3.5Å; I584-I588 PolarHBondContact O-N 3.48Å; I584-I588 VanDerWaalsContact O-N 3.1Å; T585-I588 PolarHBondContact O-N 2.98Å; S586-I588 VanDerWaalsContact C-N 3.33Å; S586-I588 PolarHBondContact O-N 2.96Å; I588-N591 PolarHBondContact O-N 2.95Å; I588-V592 HydrophobicContact CG2-CB 4.19Å; I588-V592 HydrophobicContact CG2-CG2 4.02Å; I588-V592 VanDerWaalsContact O-CB 3.31Å; I588-V592 WeakPolarHBondContact O-CB 3.39Å; I588-V592 PolarHBondContact O-N 2.86Å; I588-F593 HydrophobicContact CG2-CD2 4.36Å; I588-F593 HydrophobicContact CG2-CE2 4.13Å
589	M	89.7	Confident	89.5	Confident	55 Å²	55	39.5 Å²	39.5	27%	0.271	20%	0.198	S	C	.	.	H	α-helix	trans	-65.3	-39.5	-178.9	-75.1	174	81.8	0	0	112.8	T585 S586 F593 H594 L595 L600	T585-M589 VanDerWaalsContact O-CB 3.27Å; T585-M589 WeakPolarHBondContact O-CB 3.32Å; T585-M589 WeakPolarHBondContact O-CG 3.27Å; T585-M589 PolarHBondContact O-N 3.12Å; S586-M589 PolarHBondContact O-N 3.48Å; M589-F593 HydrophobicContact CG-CD2 4.32Å; M589-H594 PolarHBondContact O-N 2.86Å; M589-L595 HydrophobicContact CB-CD1 4.22Å; M589-L595 HydrophobicContact CE-CD1 3.42Å; M589-L595 VanDerWaalsContact CE-CD1 3.42Å; M589-L595 HydrophobicContact CG-CD1 4.41Å; M589-L595 PolarHBondContact O-N 2.98Å; M589-L600 HydrophobicContact CB-CD2 3.64Å; M589-L600 HydrophobicContact CE-CD1 3.52Å; M589-L600 HydrophobicContact SD-CD1 4.06Å; M589-L600 HydrophobicContact SD-CD2 4.49Å
590	S	83.2	Confident	89.3	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.014	20%	0.202	C	C	.	.	H	α-helix	trans	-69	-35.3	176.2	62.5	0	0	0	0	112.7	S586 G587	S586-S590 PolarHBondContact O-N 3.43Å; S586-S590 PolarHBondContact O-OG 2.8Å; G587-S590 PolarHBondContact O-OG 2.9Å
591	N	82.3	Confident	89.3	Confident	20 Å²	20	39.4 Å²	39.4	11%	0.107	20%	0.197	C	C	.	.	H	α-helix	trans	-99.6	-39.6	-170.9	-76.6	57.4	0	0	0	114.7	R114 Y115 G117 G587 I588 H594 Y742	R114-N591 PolarHBondContact O-ND2 3.38Å; Y115-N591 WeakPolarHBondContact CA-ND2 3.43Å; G117-N591 WeakPolarHBondContact CA-OD1 3.2Å; G117-N591 PolarHBondContact N-ND2 3.39Å; G117-N591 PolarHBondContact N-OD1 3.3Å; G587-N591 WeakPolarHBondContact O-CB 3.33Å; G587-N591 PolarHBondContact O-N 3.37Å; G587-N591 PolarHBondContact O-OD1 2.95Å; I588-N591 PolarHBondContact O-N 2.95Å; N591-H594 PolarHBondContact O-CE1 3.24Å; N591-Y742 PolarHBondContact ND2-OH 2.85Å; N591-Y742 VanDerWaalsContact ND2-OH 3.07Å
592	V	82.7	Confident	89.3	Confident	93 Å²	93	36.2 Å²	36.2	56%	0.564	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-48.7	-177	-179.9	0	0	0	0	110.3	I588 H594	I588-V592 HydrophobicContact CG2-CB 4.19Å; I588-V592 HydrophobicContact CG2-CG2 4.02Å; I588-V592 VanDerWaalsContact O-CB 3.31Å; I588-V592 WeakPolarHBondContact O-CB 3.39Å; I588-V592 PolarHBondContact O-N 2.86Å; V592-H594 PolarHBondContact O-CE1 3.45Å; V592-H594 PolarHBondContact O-ND1 2.85Å
593	F	82.5	Confident	89.3	Confident	140 Å²	140	42.3 Å²	42.3	61%	0.614	21%	0.214	S	C	*	.	S	Bend	trans	-86.5	-7.4	-177.6	-64.2	-76	0	0	0	113.4	I588 M589 L595	I588-F593 HydrophobicContact CG2-CD2 4.36Å; I588-F593 HydrophobicContact CG2-CE2 4.13Å; M589-F593 HydrophobicContact CG-CD2 4.32Å; F593-L595 HydrophobicContact CB-CD1 4.38Å; F593-L595 HydrophobicContact CB-CG 4.12Å; F593-L595 PolarHBondContact O-N 3.47Å; F593-L595 VanDerWaalsContact O-N 3.15Å
594	H	80.8	Confident	89.4	Confident	102 Å²	102	42.6 Å²	42.6	47%	0.472	22%	0.217	S	C	.	.			trans	51.3	35.2	179.3	-56.9	82.8	0	0	0	112.9	M589 N591 V592	M589-H594 PolarHBondContact O-N 2.86Å; N591-H594 PolarHBondContact O-CE1 3.24Å; V592-H594 PolarHBondContact O-CE1 3.45Å; V592-H594 PolarHBondContact O-ND1 2.85Å
595	L	83.6	Confident	89.5	Confident	65 Å²	65	40.5 Å²	40.5	34%	0.34	21%	0.207	S	C	.	.			trans	-72.5	138.2	173.9	-67.1	174.9	0	0	0	109.1	M589 F593 S597	M589-L595 HydrophobicContact CB-CD1 4.22Å; M589-L595 HydrophobicContact CE-CD1 3.42Å; M589-L595 VanDerWaalsContact CE-CD1 3.42Å; M589-L595 HydrophobicContact CG-CD1 4.41Å; M589-L595 PolarHBondContact O-N 2.98Å; F593-L595 HydrophobicContact CB-CD1 4.38Å; F593-L595 HydrophobicContact CB-CG 4.12Å; F593-L595 PolarHBondContact O-N 3.47Å; F593-L595 VanDerWaalsContact O-N 3.15Å; L595-S597 PolarHBondContact O-N 3.49Å; L595-S597 VanDerWaalsContact O-N 3.16Å
596	D	88.4	Confident	89.8	Confident	8 Å²	8	42.4 Å²	42.4	4%	0.043	21%	0.211	C	C	.	.			trans	-62.4	120.3	179	-173.1	-54	0	0	0	110	V598 Y599 L600 R650 C745	D596-V598 PolarHBondContact O-N 3.28Å; D596-V598 VanDerWaalsContact O-N 3.15Å; D596-V598 WeakPolarHBondContact OD1-CB 3.24Å; D596-V598 WeakPolarHBondContact OD1-CG2 3.4Å; D596-V598 PolarHBondContact OD1-N 3.37Å; D596-Y599 HydrophobicContact CB-CD2 3.89Å; D596-Y599 PolarHBondContact O-N 3.48Å; D596-Y599 VanDerWaalsContact O-N 3.13Å; D596-L600 PolarHBondContact O-N 3.03Å; D596-R650 IonicContact OD1-CZ 2.74Å; D596-R650 IonicContact OD1-NH1 3.05Å; D596-R650 PolarHBondContact OD1-NH1 3.45Å; D596-R650 IonicContact OD1-NH2 3.71Å; D596-R650 IonicContact OD2-CZ 3.99Å; D596-R650 IonicContact OD2-NH1 3.57Å; D596-R650 PolarHBondContact OD2-NH1 3.27Å; D596-R650 IonicContact OD2-NH2 3.58Å; D596-R650 PolarHBondContact OD2-NH2 3.39Å; D596-C745 WeakPolarHBondContact OD2-CA 3.49Å; D596-C745 PolarHBondContact OD2-SG 3.35Å
597	S	89.8	Confident	90.1	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.007	22%	0.221	C	C	.	.	H	α-helix	trans	-56.3	-30.4	-176.7	-54	0	0	0	0	113.4	L595 S601	L595-S597 PolarHBondContact O-N 3.49Å; L595-S597 VanDerWaalsContact O-N 3.16Å; S597-S601 VanDerWaalsContact O-CB 3.23Å; S597-S601 WeakPolarHBondContact O-CB 2.91Å; S597-S601 PolarHBondContact O-N 2.83Å
598	V	92	Very high	90.6	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.012	22%	0.221	C	C	.	.	H	α-helix	trans	-70.3	-46.6	179.3	-169	0	0	0	0	110	D596 S601 G602 L647 F651 L710 C711	D596-V598 PolarHBondContact O-N 3.28Å; D596-V598 VanDerWaalsContact O-N 3.15Å; D596-V598 WeakPolarHBondContact OD1-CB 3.24Å; D596-V598 WeakPolarHBondContact OD1-CG2 3.4Å; D596-V598 PolarHBondContact OD1-N 3.37Å; V598-S601 PolarHBondContact O-N 3.48Å; V598-G602 PolarHBondContact O-N 3.1Å; V598-L647 HydrophobicContact CB-CD2 4.36Å; V598-L647 HydrophobicContact CG2-CD2 3.53Å; V598-F651 HydrophobicContact CG2-CE2 4.05Å; V598-F651 HydrophobicContact CG2-CZ 4.11Å; V598-L710 HydrophobicContact CG1-CB 4.42Å; V598-L710 HydrophobicContact CG1-CD2 4.14Å; V598-L710 HydrophobicContact CG1-CG 4.22Å; V598-C711 WeakPolarHBondContact CG1-SG 3.35Å
599	Y	91	Very high	91	Very high	86 Å²	86	40.5 Å²	40.5	34%	0.337	21%	0.206	S	C	.	.	H	α-helix	trans	-65.3	-43.4	177.9	-80.1	-80.1	0	0	0	111.7	D596 G602 L603 C711 P747	D596-Y599 HydrophobicContact CB-CD2 3.89Å; D596-Y599 PolarHBondContact O-N 3.48Å; D596-Y599 VanDerWaalsContact O-N 3.13Å; Y599-G602 PolarHBondContact O-N 2.96Å; Y599-L603 WeakPolarHBondContact O-CB 3.25Å; Y599-L603 PolarHBondContact O-N 3.08Å; Y599-C711 HydrophobicContact CE1-CB 4.49Å; Y599-C711 HydrophobicContact CE2-CB 4.31Å; Y599-P747 HydrophobicContact CE2-CG 3.84Å; Y599-P747 WeakPolarHBondContact OH-CG 3.19Å
600	L	93.2	Very high	91.4	Very high	15 Å²	15	40.7 Å²	40.7	8%	0.079	21%	0.208	C	C	.	.	H	α-helix	trans	-61.3	-46.1	178.6	-178.1	56.8	0	0	0	111.5	M589 D596 A604 I639 L643	M589-L600 HydrophobicContact CB-CD2 3.64Å; M589-L600 HydrophobicContact CE-CD1 3.52Å; M589-L600 HydrophobicContact SD-CD1 4.06Å; M589-L600 HydrophobicContact SD-CD2 4.49Å; D596-L600 PolarHBondContact O-N 3.03Å; L600-A604 WeakPolarHBondContact O-CB 3.33Å; L600-A604 PolarHBondContact O-N 2.96Å; L600-A604 VanDerWaalsContact O-N 3.17Å; L600-I639 HydrophobicContact CD1-CG2 3.98Å; L600-I639 HydrophobicContact CD2-CG2 4.36Å; L600-I639 HydrophobicContact CG-CG2 3.69Å; L600-L643 HydrophobicContact CB-CD1 4.13Å; L600-L643 HydrophobicContact CD2-CD1 3.98Å; L600-L643 HydrophobicContact CG-CD1 3.95Å
601	S	94.3	Very high	92.1	Very high	3 Å²	3	41 Å²	41	2%	0.021	21%	0.21	C	C	.	.	H	α-helix	trans	-64	-44.8	175.9	-173.4	0	0	0	0	112.3	S597 V598 A604 T605 P640 H707	S597-S601 VanDerWaalsContact O-CB 3.23Å; S597-S601 WeakPolarHBondContact O-CB 2.91Å; S597-S601 PolarHBondContact O-N 2.83Å; V598-S601 PolarHBondContact O-N 3.48Å; S601-A604 PolarHBondContact O-N 3.31Å; S601-T605 WeakPolarHBondContact O-CB 3.3Å; S601-T605 PolarHBondContact O-N 3.36Å; S601-T605 PolarHBondContact O-OG1 2.85Å; S601-P640 WeakPolarHBondContact OG-CB 3.26Å; S601-H707 PolarHBondContact OG-NE2 3.26Å
602	G	96	Very high	92.8	Very high	8 Å²	8	40 Å²	40	8%	0.082	21%	0.205	C	C	.	.	H	α-helix	trans	-64.6	-45.3	-179.4	0	0	0	0	0	113.3	V598 Y599 T605 F606 H707	V598-G602 PolarHBondContact O-N 3.1Å; Y599-G602 PolarHBondContact O-N 2.96Å; G602-T605 PolarHBondContact O-N 2.87Å; G602-F606 PolarHBondContact O-N 3.46Å; G602-H707 PolarHBondContact N-CD2 3.07Å
603	L	95.8	Very high	93.5	Very high	128 Å²	128	37.1 Å²	37.1	67%	0.67	19%	0.188	S	C	*	.	H	α-helix	trans	-64.8	-42.5	178.4	-177.8	62.8	0	0	0	111.7	Y599 F606 G607	Y599-L603 WeakPolarHBondContact O-CB 3.25Å; Y599-L603 PolarHBondContact O-N 3.08Å; L603-F606 PolarHBondContact O-N 3.21Å; L603-G607 PolarHBondContact O-N 3.49Å
604	A	97.2	Very high	94.1	Very high	8 Å²	8	36.6 Å²	36.6	7%	0.066	19%	0.185	C	C	.	.	H	α-helix	trans	-64.3	-43.1	176.4	0	0	0	0	0	111.6	L600 S601 F606 G607 G608 C636 I639 P640	L600-A604 WeakPolarHBondContact O-CB 3.33Å; L600-A604 PolarHBondContact O-N 2.96Å; L600-A604 VanDerWaalsContact O-N 3.17Å; S601-A604 PolarHBondContact O-N 3.31Å; A604-F606 VanDerWaalsContact C-N 3.32Å; A604-F606 PolarHBondContact O-N 3.45Å; A604-G607 PolarHBondContact O-N 2.9Å; A604-G608 PolarHBondContact O-N 2.81Å; A604-C636 WeakPolarHBondContact CB-O 3.32Å; A604-C636 VanDerWaalsContact O-CB 3.27Å; A604-C636 WeakPolarHBondContact O-CB 3.31Å; A604-I639 HydrophobicContact CB-CB 3.66Å; A604-I639 HydrophobicContact CB-CD1 3.97Å; A604-I639 HydrophobicContact CB-CG1 4.42Å; A604-I639 HydrophobicContact CB-CG2 3.6Å; A604-P640 HydrophobicContact CB-CG 4.23Å
605	T	97.6	Very high	94.8	Very high	4 Å²	4	31.8 Å²	31.8	3%	0.025	16%	0.163	C	C	.	.	H	α-helix	trans	-60.8	-41.6	175.8	-54.5	0	0	0	0	111.4	S601 G602 G608 G609 P640 Y700 A704	S601-T605 WeakPolarHBondContact O-CB 3.3Å; S601-T605 PolarHBondContact O-N 3.36Å; S601-T605 PolarHBondContact O-OG1 2.85Å; G602-T605 PolarHBondContact O-N 2.87Å; T605-G608 PolarHBondContact O-N 3.38Å; T605-G609 PolarHBondContact O-N 2.77Å; T605-P640 WeakPolarHBondContact OG1-CG 3.34Å; T605-Y700 HydrophobicContact CG2-CD1 3.7Å; T605-Y700 HydrophobicContact CG2-CE1 4.36Å; T605-Y700 HydrophobicContact CG2-CG 4.41Å; T605-Y700 WeakPolarHBondContact CG2-O 3.31Å; T605-Y700 WeakPolarHBondContact O-CD1 3.22Å; T605-A704 HydrophobicContact CG2-CB 4.36Å
606	F	97.9	Very high	95.3	Very high	90 Å²	90	30.2 Å²	30.2	40%	0.395	16%	0.156	S	C	.	.	H	α-helix	trans	-62.6	-46.1	174.9	-174.5	-113.1	0	0	0	112.2	G602 L603 A604 G608 G609 L610 A704	G602-F606 PolarHBondContact O-N 3.46Å; L603-F606 PolarHBondContact O-N 3.21Å; A604-F606 VanDerWaalsContact C-N 3.32Å; A604-F606 PolarHBondContact O-N 3.45Å; F606-G608 VanDerWaalsContact C-N 3.31Å; F606-G608 PolarHBondContact O-N 2.77Å; F606-G609 PolarHBondContact O-N 3.02Å; F606-L610 HydrophobicContact CD1-CD1 3.95Å; F606-L610 HydrophobicContact CD1-CG 4.43Å; F606-L610 HydrophobicContact CE1-CD1 3.47Å; F606-L610 VanDerWaalsContact CE1-CD1 3.47Å; F606-L610 HydrophobicContact CE1-CG 4.09Å; F606-L610 HydrophobicContact CE2-CG 4.49Å; F606-L610 HydrophobicContact CZ-CD1 3.9Å; F606-L610 HydrophobicContact CZ-CD2 4.25Å; F606-L610 HydrophobicContact CZ-CG 4.11Å; F606-L610 PolarHBondContact O-N 3.48Å; F606-A704 HydrophobicContact CB-CB 3.72Å; F606-A704 HydrophobicContact CD2-CB 4.14Å; F606-A704 HydrophobicContact CG-CB 4.42Å
607	G	97.7	Very high	95.5	Very high	20 Å²	20	36.4 Å²	36.4	21%	0.206	18%	0.183	C	C	.	.	H	α-helix	trans	-59.5	-39.3	175.6	0	0	0	0	0	112.9	L603 A604 L610 A611	L603-G607 PolarHBondContact O-N 3.49Å; A604-G607 PolarHBondContact O-N 2.9Å; G607-L610 PolarHBondContact O-N 3.48Å; G607-A611 WeakPolarHBondContact O-CB 3.46Å; G607-A611 PolarHBondContact O-N 3.16Å
608	G	97.7	Very high	95.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63.9	-42.7	173.8	0	0	0	0	0	112.9	A604 T605 F606 A611 H612	A604-G608 PolarHBondContact O-N 2.81Å; T605-G608 PolarHBondContact O-N 3.38Å; F606-G608 VanDerWaalsContact C-N 3.31Å; F606-G608 PolarHBondContact O-N 2.77Å; G608-A611 WeakPolarHBondContact O-CB 3.48Å; G608-A611 PolarHBondContact O-N 3.15Å; G608-H612 PolarHBondContact O-N 3.28Å; G608-H612 VanDerWaalsContact O-N 3.15Å
609	G	98	Very high	95.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63.3	-43.9	175.2	0	0	0	0	0	112.9	T605 F606 A611 H612 V613 Y700	T605-G609 PolarHBondContact O-N 2.77Å; F606-G609 PolarHBondContact O-N 3.02Å; G609-A611 PolarHBondContact O-N 3.26Å; G609-H612 PolarHBondContact O-N 2.77Å; G609-V613 WeakPolarHBondContact O-CG2 3.47Å; G609-V613 PolarHBondContact O-N 3.26Å; G609-V613 VanDerWaalsContact O-N 3.1Å; G609-Y700 VanDerWaalsContact CA-CB 3.41Å
610	L	97.8	Very high	94.8	Very high	59 Å²	59	43.2 Å²	43.2	31%	0.309	23%	0.227	S	C	.	.	H	α-helix	trans	-60.7	-44	173.2	-73.2	-178.8	0	0	0	111.6	F606 G607 H612 V613 F614	F606-L610 HydrophobicContact CD1-CD1 3.95Å; F606-L610 HydrophobicContact CD1-CG 4.43Å; F606-L610 HydrophobicContact CE1-CD1 3.47Å; F606-L610 VanDerWaalsContact CE1-CD1 3.47Å; F606-L610 HydrophobicContact CE1-CG 4.09Å; F606-L610 HydrophobicContact CE2-CG 4.49Å; F606-L610 HydrophobicContact CZ-CD1 3.9Å; F606-L610 HydrophobicContact CZ-CD2 4.25Å; F606-L610 HydrophobicContact CZ-CG 4.11Å; F606-L610 PolarHBondContact O-N 3.48Å; G607-L610 PolarHBondContact O-N 3.48Å; L610-H612 VanDerWaalsContact C-N 3.29Å; L610-H612 PolarHBondContact O-N 3.43Å; L610-V613 PolarHBondContact O-N 3.15Å; L610-V613 VanDerWaalsContact O-N 3.15Å; L610-F614 HydrophobicContact CB-CD2 4.1Å; L610-F614 HydrophobicContact CB-CE2 4.09Å; L610-F614 HydrophobicContact CD2-CE2 4.2Å; L610-F614 WeakPolarHBondContact O-CB 3.45Å; L610-F614 WeakPolarHBondContact O-CD2 3.18Å; L610-F614 PolarHBondContact O-N 3.47Å
611	A	97.6	Very high	94.7	Very high	8 Å²	8	45.7 Å²	45.7	7%	0.066	24%	0.238	C	C	.	.	H	α-helix	trans	-57.1	-42.6	178.4	0	0	0	0	0	112	G607 G608 G609 L615 Y629 I632	G607-A611 WeakPolarHBondContact O-CB 3.46Å; G607-A611 PolarHBondContact O-N 3.16Å; G608-A611 WeakPolarHBondContact O-CB 3.48Å; G608-A611 PolarHBondContact O-N 3.15Å; G609-A611 PolarHBondContact O-N 3.26Å; A611-L615 PolarHBondContact O-N 2.79Å; A611-Y629 HydrophobicContact CB-CD2 4.1Å; A611-Y629 HydrophobicContact CB-CE2 4.19Å; A611-Y629 VanDerWaalsContact O-CD2 3.3Å; A611-Y629 WeakPolarHBondContact O-CD2 3.49Å; A611-Y629 WeakPolarHBondContact O-CE2 3.2Å; A611-I632 HydrophobicContact CB-CB 4.48Å; A611-I632 HydrophobicContact CB-CG2 3.95Å
612	H	97.4	Very high	94.6	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.6	-44.6	174.5	-74.3	-33.7	0	0	0	113.5	P550 G608 G609 L610 L615 Y629 Y633 F693 A696	P550-H612 WeakPolarHBondContact CG-CE1 3.12Å; G608-H612 PolarHBondContact O-N 3.28Å; G608-H612 VanDerWaalsContact O-N 3.15Å; G609-H612 PolarHBondContact O-N 2.77Å; L610-H612 VanDerWaalsContact C-N 3.29Å; L610-H612 PolarHBondContact O-N 3.43Å; H612-L615 WeakPolarHBondContact O-CB 3.49Å; H612-L615 PolarHBondContact O-N 3.27Å; H612-Y629 PolarHBondContact CE1-OH 3.02Å; H612-Y629 AromaticContact ND1-CE2 3.66Å; H612-Y629 AromaticContact ND1-CZ 3.72Å; H612-Y629 PolarHBondContact ND1-OH 3.49Å; H612-Y633 AromaticContact CD2-CE2 3.98Å; H612-Y633 AromaticContact CE1-CD2 3.37Å; H612-Y633 WeakPolarHBondContact CE1-CD2 3.41Å; H612-Y633 AromaticContact CE1-CE2 3.26Å; H612-Y633 WeakPolarHBondContact CE1-CE2 3.49Å; H612-Y633 AromaticContact CE1-CG 3.85Å; H612-Y633 AromaticContact CE1-CZ 3.63Å; H612-Y633 AromaticContact NE2-CD2 3.48Å; H612-Y633 WeakPolarHBondContact NE2-CD2 3.27Å; H612-Y633 AromaticContact NE2-CE2 2.99Å; H612-Y633 WeakPolarHBondContact NE2-CE2 3.35Å; H612-Y633 AromaticContact NE2-CZ 3.55Å; H612-F693 WeakPolarHBondContact CB-O 3.3Å; H612-F693 AromaticContact ND1-CD1 3.74Å; H612-A696 HydrophobicContact CB-CB 4.48Å
613	V	97	Very high	94.6	Very high	32 Å²	32	51.9 Å²	51.9	19%	0.194	27%	0.268	C	S	.	.	H	α-helix	trans	-63.9	-44.9	178	173.7	0	0	0	0	110.5	G609 L610 L615 V616 F617 I701	G609-V613 WeakPolarHBondContact O-CG2 3.47Å; G609-V613 PolarHBondContact O-N 3.26Å; G609-V613 VanDerWaalsContact O-N 3.1Å; L610-V613 PolarHBondContact O-N 3.15Å; L610-V613 VanDerWaalsContact O-N 3.15Å; V613-L615 VanDerWaalsContact C-N 3.33Å; V613-L615 PolarHBondContact O-N 3.23Å; V613-V616 PolarHBondContact O-N 3.46Å; V613-F617 HydrophobicContact CG1-CE2 3.89Å; V613-F617 WeakPolarHBondContact O-CD2 3.32Å; V613-F617 WeakPolarHBondContact O-CE2 3.37Å; V613-I701 HydrophobicContact CG2-CD1 4.07Å
614	F	95.6	Very high	94.6	Very high	130 Å²	130	48.5 Å²	48.5	57%	0.57	26%	0.258	S	S	*	.	H	α-helix	trans	-66	-32.2	179.6	-78.8	-63.6	0	0	0	113.4	L610 V616 F617	L610-F614 HydrophobicContact CB-CD2 4.1Å; L610-F614 HydrophobicContact CB-CE2 4.09Å; L610-F614 HydrophobicContact CD2-CE2 4.2Å; L610-F614 WeakPolarHBondContact O-CB 3.45Å; L610-F614 WeakPolarHBondContact O-CD2 3.18Å; L610-F614 PolarHBondContact O-N 3.47Å; F614-V616 PolarHBondContact O-N 3.26Å; F614-F617 PolarHBondContact O-N 3.44Å
615	L	95.6	Very high	94.5	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-52.9	-39.4	176.9	176.3	65	0	0	0	112.4	Y557 A611 H612 V613 F617 I618 Y626 Y629 F693	Y557-L615 HydrophobicContact CE1-CD2 4.41Å; Y557-L615 HydrophobicContact CE1-CG 4.4Å; A611-L615 PolarHBondContact O-N 2.79Å; H612-L615 WeakPolarHBondContact O-CB 3.49Å; H612-L615 PolarHBondContact O-N 3.27Å; V613-L615 VanDerWaalsContact C-N 3.33Å; V613-L615 PolarHBondContact O-N 3.23Å; L615-F617 PolarHBondContact O-N 2.99Å; L615-I618 HydrophobicContact CD1-CD1 4.04Å; L615-I618 WeakPolarHBondContact O-CB 3.28Å; L615-I618 PolarHBondContact O-N 3.08Å; L615-Y626 HydrophobicContact CD1-CD1 3.57Å; L615-Y626 HydrophobicContact CD1-CE1 3.59Å; L615-Y629 HydrophobicContact CB-CD2 3.87Å; L615-Y629 HydrophobicContact CB-CE2 4.02Å; L615-Y629 HydrophobicContact CB-CG 4.34Å; L615-Y629 HydrophobicContact CD1-CD1 3.94Å; L615-Y629 HydrophobicContact CD1-CD2 4.24Å; L615-Y629 HydrophobicContact CD1-CE1 4.41Å; L615-Y629 HydrophobicContact CD1-CG 3.84Å; L615-Y629 HydrophobicContact CD2-CD1 4.18Å; L615-Y629 HydrophobicContact CD2-CD2 4.27Å; L615-Y629 HydrophobicContact CD2-CE1 3.82Å; L615-Y629 HydrophobicContact CD2-CE2 3.91Å; L615-Y629 HydrophobicContact CD2-CG 4.38Å; L615-Y629 HydrophobicContact CG-CD2 4.36Å; L615-Y629 HydrophobicContact CG-CE2 4.44Å; L615-Y629 HydrophobicContact CG-CG 4.42Å; L615-F693 HydrophobicContact CD2-CB 3.96Å; L615-F693 HydrophobicContact CD2-CD1 3.53Å; L615-F693 HydrophobicContact CD2-CD2 3.62Å; L615-F693 HydrophobicContact CD2-CE1 3.85Å; L615-F693 HydrophobicContact CD2-CE2 3.94Å; L615-F693 HydrophobicContact CD2-CG 3.4Å; L615-F693 VanDerWaalsContact CD2-CG 3.4Å; L615-F693 HydrophobicContact CD2-CZ 4.05Å
616	V	94.1	Very high	94.5	Very high	31 Å²	31	53.7 Å²	53.7	19%	0.188	28%	0.275	C	S	.	.	H	α-helix	trans	-65.6	-28.4	-179.3	174.3	0	0	0	0	112	V613 F614 D690 F693	V613-V616 PolarHBondContact O-N 3.46Å; F614-V616 PolarHBondContact O-N 3.26Å; V616-D690 HydrophobicContact CG1-CB 3.74Å; V616-D690 HydrophobicContact CG2-CB 4.2Å; V616-D690 WeakPolarHBondContact CG2-O 3.47Å; V616-F693 HydrophobicContact CG2-CB 4.22Å
617	F	93	Very high	94.4	Very high	138 Å²	138	50.1 Å²	50.1	61%	0.605	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	4.9	-178.5	-60	-72.6	0	0	0	113.6	V613 F614 L615 I619	V613-F617 HydrophobicContact CG1-CE2 3.89Å; V613-F617 WeakPolarHBondContact O-CD2 3.32Å; V613-F617 WeakPolarHBondContact O-CE2 3.37Å; F614-F617 PolarHBondContact O-N 3.44Å; L615-F617 PolarHBondContact O-N 2.99Å; F617-I619 PolarHBondContact O-N 3.16Å; F617-I619 VanDerWaalsContact O-N 3.14Å
618	I	89.9	Confident	94.4	Very high	23 Å²	23	53.2 Å²	53.2	12%	0.118	27%	0.273	C	S	.	.			trans	-75.9	102.7	177.9	-64.4	179.5	0	0	0	109.1	L615 P620 H621 W625	L615-I618 HydrophobicContact CD1-CD1 4.04Å; L615-I618 WeakPolarHBondContact O-CB 3.28Å; L615-I618 PolarHBondContact O-N 3.08Å; I618-P620 VanDerWaalsContact CG2-O 3.31Å; I618-P620 WeakPolarHBondContact CG2-O 3.34Å; I618-H621 PolarHBondContact O-CE1 3.18Å; I618-H621 PolarHBondContact O-ND1 3.39Å; I618-W625 HydrophobicContact CD1-CB 4.2Å; I618-W625 HydrophobicContact CG2-CB 3.51Å; I618-W625 HydrophobicContact CG2-CG 3.89Å
619	I	81.7	Confident	94.3	Very high	146 Å²	146	53.6 Å²	53.6	75%	0.749	27%	0.274	S	S	*	.			trans	-77.1	-45.9	-180	-60.9	171.6	0	0	0	112.5	F617 H621	F617-I619 PolarHBondContact O-N 3.16Å; F617-I619 VanDerWaalsContact O-N 3.14Å; I619-H621 PolarHBondContact O-N 3.09Å
620	P	85.8	Confident	94.3	Very high	63 Å²	63	53.6 Å²	53.6	41%	0.409	27%	0.274	S	S	.	.	S	Bend	trans	-73.5	96	167.8	27.5	-34.2	0	0	0	109.9	I618 T622 W625	I618-P620 VanDerWaalsContact CG2-O 3.31Å; I618-P620 WeakPolarHBondContact CG2-O 3.34Å; P620-T622 HydrophobicContact CB-CG2 4.17Å; P620-T622 PolarHBondContact O-N 2.97Å; P620-W625 HydrophobicContact CG-CG 4.26Å; P620-W625 VanDerWaalsContact O-CD1 3.29Å
621	H	90	Very high	94.3	Very high	68 Å²	68	52 Å²	52	32%	0.315	27%	0.268	S	S	.	.			trans	-70.5	59.4	174	-59.5	-65.3	0	0	0	112.1	Y561 I618 I619 Y626	Y561-H621 AromaticContact CD1-CD2 3.63Å; Y561-H621 AromaticContact CD1-CE1 3.63Å; Y561-H621 AromaticContact CD1-CG 3.92Å; Y561-H621 AromaticContact CD1-ND1 3.91Å; Y561-H621 AromaticContact CD1-NE2 3.44Å; Y561-H621 WeakPolarHBondContact CD1-NE2 3.44Å; Y561-H621 AromaticContact CE1-CE1 3.65Å; Y561-H621 AromaticContact CE1-NE2 3.53Å; Y561-H621 AromaticContact CG-CE1 3.97Å; Y561-H621 AromaticContact CG-CG 3.97Å; Y561-H621 AromaticContact CG-ND1 3.84Å; Y561-H621 AromaticContact CZ-CE1 3.98Å; I618-H621 PolarHBondContact O-CE1 3.18Å; I618-H621 PolarHBondContact O-ND1 3.39Å; I619-H621 PolarHBondContact O-N 3.09Å; H621-Y626 HydrophobicContact CB-CE2 4.04Å; H621-Y626 AromaticContact ND1-CZ 3.92Å; H621-Y626 PolarHBondContact ND1-OH 2.83Å
622	T	93.7	Very high	94.3	Very high	64 Å²	64	55.5 Å²	55.5	39%	0.393	29%	0.285	S	S	.	.			trans	-103.8	154.5	-179.2	70.3	0	0	0	0	111	P620 A624 W625 Y626	P620-T622 HydrophobicContact CB-CG2 4.17Å; P620-T622 PolarHBondContact O-N 2.97Å; T622-A624 PolarHBondContact O-N 3.23Å; T622-A624 VanDerWaalsContact O-N 3.14Å; T622-W625 PolarHBondContact O-N 2.91Å; T622-W625 VanDerWaalsContact OG1-CD1 3.29Å; T622-Y626 WeakPolarHBondContact O-CD2 3.28Å; T622-Y626 PolarHBondContact O-N 3.1Å
623	F	95.4	Very high	94.3	Very high	77 Å²	77	55.5 Å²	55.5	34%	0.338	29%	0.285	S	S	.	.	H	α-helix	trans	-50.8	-38.1	175.3	176.2	-101.6	0	0	0	113	M563 S567 L570 V571 I574 Y626 S627	M563-F623 HydrophobicContact SD-CB 4.09Å; S567-F623 WeakPolarHBondContact O-CE2 3.23Å; L570-F623 HydrophobicContact CB-CE2 3.79Å; L570-F623 HydrophobicContact CB-CZ 4.07Å; V571-F623 HydrophobicContact CG2-CD2 3.68Å; V571-F623 HydrophobicContact CG2-CE2 3.64Å; I574-F623 HydrophobicContact CD1-CZ 3.87Å; F623-Y626 PolarHBondContact O-N 3.47Å; F623-S627 WeakPolarHBondContact CE1-OG 3.19Å; F623-S627 WeakPolarHBondContact CZ-OG 3.43Å; F623-S627 VanDerWaalsContact O-CB 3.31Å; F623-S627 WeakPolarHBondContact O-CB 3.33Å; F623-S627 PolarHBondContact O-N 3.43Å; F623-S627 PolarHBondContact O-OG 3.43Å
624	A	96.1	Very high	94.3	Very high	57 Å²	57	54 Å²	54	47%	0.471	28%	0.276	S	S	.	.	H	α-helix	trans	-62.1	-46.7	-179.2	0	0	0	0	0	112.5	T622 S627 I628	T622-A624 PolarHBondContact O-N 3.23Å; T622-A624 VanDerWaalsContact O-N 3.14Å; A624-S627 WeakPolarHBondContact O-CB 3.45Å; A624-S627 PolarHBondContact O-N 3.41Å; A624-I628 WeakPolarHBondContact O-CG1 3.34Å; A624-I628 PolarHBondContact O-N 2.84Å
625	W	95.4	Very high	94.3	Very high	120 Å²	120	50.7 Å²	50.7	46%	0.455	26%	0.264	S	S	.	.	H	α-helix	trans	-67.9	-40.4	-179.7	-76.6	112	0	0	0	112.6	I618 P620 T622 S627 I628 Y629	I618-W625 HydrophobicContact CD1-CB 4.2Å; I618-W625 HydrophobicContact CG2-CB 3.51Å; I618-W625 HydrophobicContact CG2-CG 3.89Å; P620-W625 HydrophobicContact CG-CG 4.26Å; P620-W625 VanDerWaalsContact O-CD1 3.29Å; T622-W625 PolarHBondContact O-N 2.91Å; T622-W625 VanDerWaalsContact OG1-CD1 3.29Å; W625-S627 VanDerWaalsContact C-N 3.28Å; W625-S627 PolarHBondContact O-N 3.43Å; W625-I628 HydrophobicContact CE3-CD1 4.01Å; W625-I628 HydrophobicContact CZ3-CD1 4.23Å; W625-I628 PolarHBondContact O-N 3.36Å; W625-Y629 PolarHBondContact O-N 2.89Å
626	Y	96.6	Very high	94.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-65	-33.7	173.4	-67.8	-58.4	0	0	0	112.6	Y557 T558 M563 L615 H621 T622 F623 Y629 A630	Y557-Y626 HydrophobicContact CD1-CE1 4.31Å; Y557-Y626 AromaticContact CE1-CE1 3.9Å; Y557-Y626 HydrophobicContact CE1-CE1 3.9Å; T558-Y626 HydrophobicContact CG2-CD1 3.88Å; T558-Y626 HydrophobicContact CG2-CD2 4.01Å; T558-Y626 HydrophobicContact CG2-CE1 4.03Å; T558-Y626 HydrophobicContact CG2-CE2 4.09Å; T558-Y626 HydrophobicContact CG2-CG 3.86Å; M563-Y626 HydrophobicContact CE-CD2 3.08Å; M563-Y626 HydrophobicContact CE-CE2 3.58Å; M563-Y626 HydrophobicContact CE-CG 3.78Å; M563-Y626 HydrophobicContact CG-CE2 4.43Å; M563-Y626 HydrophobicContact SD-CD2 3.62Å; M563-Y626 HydrophobicContact SD-CE2 4.02Å; L615-Y626 HydrophobicContact CD1-CD1 3.57Å; L615-Y626 HydrophobicContact CD1-CE1 3.59Å; H621-Y626 HydrophobicContact CB-CE2 4.04Å; H621-Y626 AromaticContact ND1-CZ 3.92Å; H621-Y626 PolarHBondContact ND1-OH 2.83Å; T622-Y626 WeakPolarHBondContact O-CD2 3.28Å; T622-Y626 PolarHBondContact O-N 3.1Å; F623-Y626 PolarHBondContact O-N 3.47Å; Y626-Y629 PolarHBondContact O-N 2.88Å; Y626-A630 VanDerWaalsContact O-CB 3.22Å; Y626-A630 WeakPolarHBondContact O-CB 3.34Å; Y626-A630 PolarHBondContact O-N 3.47Å
627	S	96.6	Very high	94.5	Very high	15 Å²	15	50.2 Å²	50.2	11%	0.105	26%	0.261	C	S	.	.	H	α-helix	trans	-68.1	-39	174.5	-62.2	0	0	0	0	112.6	I574 F623 A624 W625 A630 S631	I574-S627 WeakPolarHBondContact CD1-OG 3.22Å; F623-S627 WeakPolarHBondContact CE1-OG 3.19Å; F623-S627 WeakPolarHBondContact CZ-OG 3.43Å; F623-S627 VanDerWaalsContact O-CB 3.31Å; F623-S627 WeakPolarHBondContact O-CB 3.33Å; F623-S627 PolarHBondContact O-N 3.43Å; F623-S627 PolarHBondContact O-OG 3.43Å; A624-S627 WeakPolarHBondContact O-CB 3.45Å; A624-S627 PolarHBondContact O-N 3.41Å; W625-S627 VanDerWaalsContact C-N 3.28Å; W625-S627 PolarHBondContact O-N 3.43Å; S627-A630 PolarHBondContact O-N 3.3Å; S627-S631 WeakPolarHBondContact O-CB 3.43Å; S627-S631 PolarHBondContact O-N 2.92Å; S627-S631 PolarHBondContact O-OG 2.85Å
628	I	96.7	Very high	94.6	Very high	85 Å²	85	43.6 Å²	43.6	44%	0.436	23%	0.233	S	C	.	.	H	α-helix	trans	-62.3	-49.4	173.4	-67.9	165.2	0	0	0	110.2	A624 W625 A630 S631 I632	A624-I628 WeakPolarHBondContact O-CG1 3.34Å; A624-I628 PolarHBondContact O-N 2.84Å; W625-I628 HydrophobicContact CE3-CD1 4.01Å; W625-I628 HydrophobicContact CZ3-CD1 4.23Å; W625-I628 PolarHBondContact O-N 3.36Å; I628-A630 PolarHBondContact O-N 3.46Å; I628-S631 PolarHBondContact O-N 2.87Å; I628-I632 HydrophobicContact CG2-CD1 3.85Å; I628-I632 WeakPolarHBondContact O-CG1 3.27Å; I628-I632 PolarHBondContact O-N 3.46Å
629	Y	97.2	Very high	94.9	Very high	8 Å²	8	43.3 Å²	43.3	3%	0.031	23%	0.231	C	C	.	.	H	α-helix	trans	-55.3	-50.8	174.1	158.7	-99.9	0	0	0	111.8	L554 A611 H612 L615 W625 Y626 S631 I632 Y633 F693	L554-Y629 HydrophobicContact CD1-CD1 4.46Å; L554-Y629 HydrophobicContact CD1-CE1 3.89Å; L554-Y629 HydrophobicContact CD2-CE1 4.03Å; A611-Y629 HydrophobicContact CB-CD2 4.1Å; A611-Y629 HydrophobicContact CB-CE2 4.19Å; A611-Y629 VanDerWaalsContact O-CD2 3.3Å; A611-Y629 WeakPolarHBondContact O-CD2 3.49Å; A611-Y629 WeakPolarHBondContact O-CE2 3.2Å; H612-Y629 PolarHBondContact CE1-OH 3.02Å; H612-Y629 AromaticContact ND1-CE2 3.66Å; H612-Y629 AromaticContact ND1-CZ 3.72Å; H612-Y629 PolarHBondContact ND1-OH 3.49Å; L615-Y629 HydrophobicContact CB-CD2 3.87Å; L615-Y629 HydrophobicContact CB-CE2 4.02Å; L615-Y629 HydrophobicContact CB-CG 4.34Å; L615-Y629 HydrophobicContact CD1-CD1 3.94Å; L615-Y629 HydrophobicContact CD1-CD2 4.24Å; L615-Y629 HydrophobicContact CD1-CE1 4.41Å; L615-Y629 HydrophobicContact CD1-CG 3.84Å; L615-Y629 HydrophobicContact CD2-CD1 4.18Å; L615-Y629 HydrophobicContact CD2-CD2 4.27Å; L615-Y629 HydrophobicContact CD2-CE1 3.82Å; L615-Y629 HydrophobicContact CD2-CE2 3.91Å; L615-Y629 HydrophobicContact CD2-CG 4.38Å; L615-Y629 HydrophobicContact CG-CD2 4.36Å; L615-Y629 HydrophobicContact CG-CE2 4.44Å; L615-Y629 HydrophobicContact CG-CG 4.42Å; W625-Y629 PolarHBondContact O-N 2.89Å; Y626-Y629 PolarHBondContact O-N 2.88Å; Y629-S631 VanDerWaalsContact C-N 3.25Å; Y629-S631 PolarHBondContact O-N 3.31Å; Y629-I632 PolarHBondContact O-N 2.64Å; Y629-Y633 HydrophobicContact CE2-CG 4.49Å; Y629-Y633 WeakPolarHBondContact O-CB 3.46Å; Y629-Y633 PolarHBondContact O-N 2.91Å; Y629-F693 WeakPolarHBondContact OH-CE1 3.39Å
630	A	97	Very high	95.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-57.7	-39.4	-179.9	0	0	0	0	0	112	V571 I574 L575 Y626 S627 I628 G634	V571-A630 HydrophobicContact CG1-CB 3.85Å; V571-A630 WeakPolarHBondContact O-CB 3.39Å; I574-A630 HydrophobicContact CB-CB 4.42Å; I574-A630 HydrophobicContact CG2-CB 4.15Å; L575-A630 WeakPolarHBondContact CA-O 3.44Å; L575-A630 HydrophobicContact CB-CB 3.89Å; Y626-A630 VanDerWaalsContact O-CB 3.22Å; Y626-A630 WeakPolarHBondContact O-CB 3.34Å; Y626-A630 PolarHBondContact O-N 3.47Å; S627-A630 PolarHBondContact O-N 3.3Å; I628-A630 PolarHBondContact O-N 3.46Å; A630-G634 WeakPolarHBondContact O-CA 3.01Å; A630-G634 PolarHBondContact O-N 2.96Å
631	S	97.5	Very high	95.8	Very high	26 Å²	26	35.6 Å²	35.6	18%	0.182	19%	0.188	C	C	.	.	H	α-helix	trans	-67.7	-46.6	179	-54.9	0	0	0	0	111.8	I574 F578 S627 I628 Y629 L635	I574-S631 VanDerWaalsContact CG2-OG 3.31Å; I574-S631 WeakPolarHBondContact CG2-OG 3.5Å; F578-S631 WeakPolarHBondContact CB-O 3.35Å; F578-S631 WeakPolarHBondContact CE2-OG 3.16Å; S627-S631 WeakPolarHBondContact O-CB 3.43Å; S627-S631 PolarHBondContact O-N 2.92Å; S627-S631 PolarHBondContact O-OG 2.85Å; I628-S631 PolarHBondContact O-N 2.87Å; Y629-S631 VanDerWaalsContact C-N 3.25Å; Y629-S631 PolarHBondContact O-N 3.31Å; S631-L635 WeakPolarHBondContact O-CB 3.25Å; S631-L635 PolarHBondContact O-N 2.83Å
632	I	97.8	Very high	96	Very high	82 Å²	82	32.4 Å²	32.4	42%	0.421	17%	0.174	S	C	.	.	H	α-helix	trans	-66.2	-53	179.9	-63.9	168.1	0	0	0	110.4	A611 I628 Y629 L635 C636	A611-I632 HydrophobicContact CB-CB 4.48Å; A611-I632 HydrophobicContact CB-CG2 3.95Å; I628-I632 HydrophobicContact CG2-CD1 3.85Å; I628-I632 WeakPolarHBondContact O-CG1 3.27Å; I628-I632 PolarHBondContact O-N 3.46Å; Y629-I632 PolarHBondContact O-N 2.64Å; I632-L635 PolarHBondContact O-N 2.83Å; I632-C636 VanDerWaalsContact O-CB 3.27Å; I632-C636 WeakPolarHBondContact O-CB 3.47Å; I632-C636 PolarHBondContact O-N 3.5Å; I632-C636 PolarHBondContact O-SG 2.99Å
633	Y	97.6	Very high	96	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64.8	-40.7	180	174.4	-101.1	0	0	0	111.7	Y547 P550 L575 H612 Y629 L635 C636 S637 Y700	Y547-Y633 PolarHBondContact O-OH 3.25Å; P550-Y633 HydrophobicContact CB-CD1 4.42Å; P550-Y633 HydrophobicContact CB-CE1 3.92Å; P550-Y633 HydrophobicContact CG-CD1 4.28Å; P550-Y633 HydrophobicContact CG-CE1 3.58Å; L575-Y633 HydrophobicContact CD1-CD1 3.79Å; L575-Y633 HydrophobicContact CD1-CE1 4.19Å; L575-Y633 HydrophobicContact CG-CD1 4.2Å; H612-Y633 AromaticContact CD2-CE2 3.98Å; H612-Y633 AromaticContact CE1-CD2 3.37Å; H612-Y633 WeakPolarHBondContact CE1-CD2 3.41Å; H612-Y633 AromaticContact CE1-CE2 3.26Å; H612-Y633 WeakPolarHBondContact CE1-CE2 3.49Å; H612-Y633 AromaticContact CE1-CG 3.85Å; H612-Y633 AromaticContact CE1-CZ 3.63Å; H612-Y633 AromaticContact NE2-CD2 3.48Å; H612-Y633 WeakPolarHBondContact NE2-CD2 3.27Å; H612-Y633 AromaticContact NE2-CE2 2.99Å; H612-Y633 WeakPolarHBondContact NE2-CE2 3.35Å; H612-Y633 AromaticContact NE2-CZ 3.55Å; Y629-Y633 HydrophobicContact CE2-CG 4.49Å; Y629-Y633 WeakPolarHBondContact O-CB 3.46Å; Y629-Y633 PolarHBondContact O-N 2.91Å; Y633-L635 PolarHBondContact O-N 3.17Å; Y633-C636 PolarHBondContact O-N 3.45Å; Y633-S637 VanDerWaalsContact O-CB 3.27Å; Y633-S637 WeakPolarHBondContact O-CB 3.33Å; Y633-S637 PolarHBondContact O-N 3.3Å; Y633-S637 PolarHBondContact O-OG 3.5Å; Y633-Y700 HydrophobicContact CE2-CE1 4.28Å; Y633-Y700 HydrophobicContact CE2-CE2 4.49Å; Y633-Y700 PolarHBondContact OH-OH 3.42Å
634	G	96.9	Very high	95.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-54.4	-55.5	174.8	0	0	0	0	0	110.8	L575 H579 A630 C636 S637 G638	L575-G634 WeakPolarHBondContact O-CA 3.48Å; H579-G634 WeakPolarHBondContact CA-O 3.49Å; A630-G634 WeakPolarHBondContact O-CA 3.01Å; A630-G634 PolarHBondContact O-N 2.96Å; G634-C636 PolarHBondContact O-N 3.26Å; G634-S637 PolarHBondContact O-N 3.49Å; G634-S637 PolarHBondContact O-OG 3.49Å; G634-S637 VanDerWaalsContact O-OG 3.05Å; G634-G638 PolarHBondContact O-N 2.68Å; G634-G638 VanDerWaalsContact O-N 3.13Å
635	L	96.8	Very high	95.7	Very high	61 Å²	61	24.6 Å²	24.6	32%	0.319	13%	0.125	S	C	.	.	H	α-helix	trans	-58.6	-48.2	178.5	-170.3	75.1	0	0	0	112.2	F578 L581 S631 I632 Y633 G638 I639	F578-L635 HydrophobicContact CB-CB 4.39Å; F578-L635 WeakPolarHBondContact O-CA 3.22Å; L581-L635 HydrophobicContact CB-CD1 4.42Å; S631-L635 WeakPolarHBondContact O-CB 3.25Å; S631-L635 PolarHBondContact O-N 2.83Å; I632-L635 PolarHBondContact O-N 2.83Å; Y633-L635 PolarHBondContact O-N 3.17Å; L635-G638 PolarHBondContact O-N 3.44Å; L635-I639 HydrophobicContact CG-CD1 4.47Å; L635-I639 WeakPolarHBondContact O-CG1 3.14Å; L635-I639 PolarHBondContact O-N 3.14Å
636	C	97.4	Very high	95.5	Very high	18 Å²	18	19.1 Å²	19.1	12%	0.122	10%	0.104	C	C	.	.	H	α-helix	trans	-65.5	-40.1	-176.9	-73.3	0	0	0	0	113.3	A604 I632 Y633 G634 G638 P640	A604-C636 WeakPolarHBondContact CB-O 3.32Å; A604-C636 VanDerWaalsContact O-CB 3.27Å; A604-C636 WeakPolarHBondContact O-CB 3.31Å; I632-C636 VanDerWaalsContact O-CB 3.27Å; I632-C636 WeakPolarHBondContact O-CB 3.47Å; I632-C636 PolarHBondContact O-N 3.5Å; I632-C636 PolarHBondContact O-SG 2.99Å; Y633-C636 PolarHBondContact O-N 3.45Å; G634-C636 PolarHBondContact O-N 3.26Å; C636-G638 VanDerWaalsContact C-N 3.3Å; C636-P640 WeakPolarHBondContact O-CD 3.46Å
637	S	94.9	Very high	95.3	Very high	3 Å²	3	19.3 Å²	19.3	2%	0.021	11%	0.105	C	C	.	.	H	α-helix	trans	-72.1	-26.3	177.5	58	0	0	0	0	112.4	H579 Y633 G634 I641	H579-S637 PolarHBondContact CD2-OG 3.3Å; Y633-S637 VanDerWaalsContact O-CB 3.27Å; Y633-S637 WeakPolarHBondContact O-CB 3.33Å; Y633-S637 PolarHBondContact O-N 3.3Å; Y633-S637 PolarHBondContact O-OG 3.5Å; G634-S637 PolarHBondContact O-N 3.49Å; G634-S637 PolarHBondContact O-OG 3.49Å; G634-S637 VanDerWaalsContact O-OG 3.05Å; S637-I641 WeakPolarHBondContact O-CD1 3.38Å; S637-I641 WeakPolarHBondContact O-CG1 3.37Å
638	G	95.2	Very high	95.2	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-77.2	-27.8	-178.3	0	0	0	0	0	114	H579 R583 G634 L635 C636 P642	H579-G638 WeakPolarHBondContact CD2-CA 3.21Å; H579-G638 PolarHBondContact CD2-N 3.09Å; R583-G638 WeakPolarHBondContact CG-O 3.36Å; G634-G638 PolarHBondContact O-N 2.68Å; G634-G638 VanDerWaalsContact O-N 3.13Å; L635-G638 PolarHBondContact O-N 3.44Å; C636-G638 VanDerWaalsContact C-N 3.3Å; G638-P642 VanDerWaalsContact O-CD 3.23Å; G638-P642 WeakPolarHBondContact O-CD 3.34Å
639	I	95.8	Very high	94.9	Very high	16 Å²	16	15.5 Å²	15.5	8%	0.082	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-48.5	-174.9	-73.5	163.9	0	0	0	113.3	G582 S586 L600 A604 L635 I641 P642 L643	G582-I639 WeakPolarHBondContact O-CG1 3.32Å; S586-I639 WeakPolarHBondContact CB-O 3.19Å; L600-I639 HydrophobicContact CD1-CG2 3.98Å; L600-I639 HydrophobicContact CD2-CG2 4.36Å; L600-I639 HydrophobicContact CG-CG2 3.69Å; A604-I639 HydrophobicContact CB-CB 3.66Å; A604-I639 HydrophobicContact CB-CD1 3.97Å; A604-I639 HydrophobicContact CB-CG1 4.42Å; A604-I639 HydrophobicContact CB-CG2 3.6Å; L635-I639 HydrophobicContact CG-CD1 4.47Å; L635-I639 WeakPolarHBondContact O-CG1 3.14Å; L635-I639 PolarHBondContact O-N 3.14Å; I639-I641 VanDerWaalsContact C-N 3.3Å; I639-I641 PolarHBondContact O-N 3.03Å; I639-P642 WeakPolarHBondContact O-CD 3.16Å; I639-L643 HydrophobicContact CG2-CD1 4.11Å; I639-L643 WeakPolarHBondContact O-CG 3.48Å
640	P	94.7	Very high	94.4	Very high	16 Å²	16	17.4 Å²	17.4	10%	0.104	9%	0.093	C	C	.	.	H	α-helix	trans	-62.2	-32.7	-177.5	-29.9	38.5	0	0	0	114.5	S601 A604 T605 C636 L643 I644	S601-P640 WeakPolarHBondContact OG-CB 3.26Å; A604-P640 HydrophobicContact CB-CG 4.23Å; T605-P640 WeakPolarHBondContact OG1-CG 3.34Å; C636-P640 WeakPolarHBondContact O-CD 3.46Å; P640-L643 WeakPolarHBondContact O-CA 3.24Å; P640-L643 WeakPolarHBondContact O-CB 3.46Å; P640-L643 PolarHBondContact O-N 2.87Å; P640-I644 PolarHBondContact O-N 2.96Å; P640-I644 VanDerWaalsContact O-N 3.13Å
641	I	93.4	Very high	94.1	Very high	31 Å²	31	19.3 Å²	19.3	16%	0.159	10%	0.101	C	C	.	.	H	α-helix	trans	-59.4	-55.5	-167.3	-62	174.1	0	0	0	113.2	M124 Y547 H579 R583 S637 I639 L643 I644	M124-I641 HydrophobicContact SD-CG2 3.74Å; Y547-I641 HydrophobicContact CE2-CD1 3.8Å; H579-I641 WeakPolarHBondContact NE2-CD1 3.29Å; R583-I641 VanDerWaalsContact NH2-CD1 3.28Å; S637-I641 WeakPolarHBondContact O-CD1 3.38Å; S637-I641 WeakPolarHBondContact O-CG1 3.37Å; I639-I641 VanDerWaalsContact C-N 3.3Å; I639-I641 PolarHBondContact O-N 3.03Å; I641-L643 PolarHBondContact O-N 2.7Å; I641-I644 WeakPolarHBondContact O-CB 3.49Å; I641-I644 PolarHBondContact O-N 2.96Å
642	P	93.3	Very high	93.6	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.006	10%	0.098	C	C	.	.	H	α-helix	trans	-70	-14.7	176.7	29.5	-36.4	0	0	0	113.5	M124 R583 S586 G638 I639 P645 I646	M124-P642 VanDerWaalsContact SD-CA 3.51Å; M124-P642 HydrophobicContact SD-CB 4.06Å; R583-P642 HydrophobicContact CB-CG 4.44Å; S586-P642 WeakPolarHBondContact OG-CG 3.5Å; G638-P642 VanDerWaalsContact O-CD 3.23Å; G638-P642 WeakPolarHBondContact O-CD 3.34Å; I639-P642 WeakPolarHBondContact O-CD 3.16Å; P642-P645 WeakPolarHBondContact O-CD 3.03Å; P642-I646 WeakPolarHBondContact O-CD1 3.21Å
643	L	93.4	Very high	93	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-80	-22.4	175.2	-56.7	178	0	0	0	112.1	L600 I639 P640 I641 I646 L647	L600-L643 HydrophobicContact CB-CD1 4.13Å; L600-L643 HydrophobicContact CD2-CD1 3.98Å; L600-L643 HydrophobicContact CG-CD1 3.95Å; I639-L643 HydrophobicContact CG2-CD1 4.11Å; I639-L643 WeakPolarHBondContact O-CG 3.48Å; P640-L643 WeakPolarHBondContact O-CA 3.24Å; P640-L643 WeakPolarHBondContact O-CB 3.46Å; P640-L643 PolarHBondContact O-N 2.87Å; I641-L643 PolarHBondContact O-N 2.7Å; L643-I646 HydrophobicContact CD2-CD1 3.91Å; L643-I646 CarbonylContact O-C 3.53Å; L643-I646 WeakPolarHBondContact O-CB 3.37Å; L643-I646 PolarHBondContact O-N 3.24Å; L643-I646 VanDerWaalsContact O-N 3.1Å; L643-L647 WeakPolarHBondContact O-CB 3.47Å; L643-L647 VanDerWaalsContact O-CG 3.27Å; L643-L647 WeakPolarHBondContact O-CG 3.46Å; L643-L647 PolarHBondContact O-N 2.63Å
644	I	93.7	Very high	92.4	Very high	35 Å²	35	18.2 Å²	18.2	18%	0.179	10%	0.099	C	C	.	.	H	α-helix	trans	-52.1	-56.7	178.9	-65.5	170.3	0	0	0	112.9	P640 I641 I646 L647 L648 F661 L664	P640-I644 PolarHBondContact O-N 2.96Å; P640-I644 VanDerWaalsContact O-N 3.13Å; I641-I644 WeakPolarHBondContact O-CB 3.49Å; I641-I644 PolarHBondContact O-N 2.96Å; I644-I646 VanDerWaalsContact C-N 3.25Å; I644-I646 PolarHBondContact O-N 2.91Å; I644-L647 PolarHBondContact O-N 3.13Å; I644-L648 HydrophobicContact CG2-CD1 3.92Å; I644-L648 WeakPolarHBondContact O-CG 3.32Å; I644-L648 PolarHBondContact O-N 2.96Å; I644-F661 HydrophobicContact CG2-CD2 4.2Å; I644-F661 HydrophobicContact CG2-CE2 3.96Å; I644-L664 HydrophobicContact CG2-CD2 3.64Å
645	P	92.8	Very high	91.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-63.6	-33.2	178.7	26.5	-36.2	0	0	0	112	I105 M124 P642 L648 V649 L657	I105-P645 HydrophobicContact CG2-CB 4.06Å; I105-P645 HydrophobicContact CG2-CG 4.01Å; M124-P645 HydrophobicContact CE-CG 3.58Å; P642-P645 WeakPolarHBondContact O-CD 3.03Å; P645-L648 PolarHBondContact O-N 3.47Å; P645-V649 WeakPolarHBondContact O-CG2 3.24Å; P645-V649 PolarHBondContact O-N 2.83Å; P645-L657 HydrophobicContact CB-CD1 4.25Å
646	I	91.1	Very high	91.3	Very high	4 Å²	4	24.9 Å²	24.9	2%	0.021	13%	0.129	C	C	.	.	H	α-helix	trans	-64.7	-43.3	177	-54.7	174.6	0	0	0	110.5	G117 P642 L643 I644 L648 V649 R650 Y742	G117-I646 VanDerWaalsContact CA-CD1 3.48Å; P642-I646 WeakPolarHBondContact O-CD1 3.21Å; L643-I646 HydrophobicContact CD2-CD1 3.91Å; L643-I646 CarbonylContact O-C 3.53Å; L643-I646 WeakPolarHBondContact O-CB 3.37Å; L643-I646 PolarHBondContact O-N 3.24Å; L643-I646 VanDerWaalsContact O-N 3.1Å; I644-I646 VanDerWaalsContact C-N 3.25Å; I644-I646 PolarHBondContact O-N 2.91Å; I646-L648 VanDerWaalsContact C-N 3.35Å; I646-V649 PolarHBondContact O-N 3.41Å; I646-R650 WeakPolarHBondContact O-CB 3.29Å; I646-R650 PolarHBondContact O-N 3.23Å; I646-Y742 HydrophobicContact CG2-CD1 4.24Å; I646-Y742 HydrophobicContact CG2-CG 4.48Å
647	L	92.5	Very high	90.9	Very high	4 Å²	4	24 Å²	24	2%	0.021	12%	0.123	C	C	.	.	H	α-helix	trans	-64.3	-41	175.6	-69.2	175.6	0	0	0	111	L536 V598 L643 I644 R650 F651	L536-L647 HydrophobicContact CD2-CB 4.01Å; L536-L647 HydrophobicContact CD2-CD1 4.17Å; V598-L647 HydrophobicContact CB-CD2 4.36Å; V598-L647 HydrophobicContact CG2-CD2 3.53Å; L643-L647 WeakPolarHBondContact O-CB 3.47Å; L643-L647 VanDerWaalsContact O-CG 3.27Å; L643-L647 WeakPolarHBondContact O-CG 3.46Å; L643-L647 PolarHBondContact O-N 2.63Å; I644-L647 PolarHBondContact O-N 3.13Å; L647-R650 PolarHBondContact O-N 3.34Å; L647-F651 HydrophobicContact CD2-CE2 4.22Å; L647-F651 WeakPolarHBondContact O-CD2 3.49Å; L647-F651 PolarHBondContact O-N 2.78Å
648	L	92.6	Very high	90.6	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-65.4	-42.8	176.2	-70.1	164.9	0	0	0	112.1	F533 L536 I644 P645 I646 R650 F651 S652 L657 F661 L664	F533-L648 HydrophobicContact CD2-CD2 4.04Å; F533-L648 HydrophobicContact CE2-CD2 3.89Å; L536-L648 HydrophobicContact CD1-CD2 3.68Å; L536-L648 HydrophobicContact CD1-CG 4.29Å; I644-L648 HydrophobicContact CG2-CD1 3.92Å; I644-L648 WeakPolarHBondContact O-CG 3.32Å; I644-L648 PolarHBondContact O-N 2.96Å; P645-L648 PolarHBondContact O-N 3.47Å; I646-L648 VanDerWaalsContact C-N 3.35Å; L648-R650 VanDerWaalsContact C-N 3.3Å; L648-R650 PolarHBondContact O-N 3.44Å; L648-F651 PolarHBondContact O-N 3.4Å; L648-S652 WeakPolarHBondContact O-CA 3.36Å; L648-S652 WeakPolarHBondContact O-CB 3.4Å; L648-S652 PolarHBondContact O-N 3.07Å; L648-S652 PolarHBondContact O-OG 3.43Å; L648-L657 HydrophobicContact CB-CD1 3.82Å; L648-L657 HydrophobicContact CD1-CD1 4.47Å; L648-F661 HydrophobicContact CD1-CB 3.89Å; L648-F661 HydrophobicContact CD1-CD2 3.57Å; L648-F661 HydrophobicContact CD1-CG 4.23Å; L648-L664 HydrophobicContact CD1-CD2 4.03Å; L648-L664 HydrophobicContact CD2-CD2 4.41Å
649	V	90.7	Very high	90.3	Very high	20 Å²	20	26.4 Å²	26.4	12%	0.121	14%	0.138	C	C	.	.	H	α-helix	trans	-60.1	-43.3	172.6	173.3	0	0	0	0	110.6	P645 I646 F651 G653 L654 L657	P645-V649 WeakPolarHBondContact O-CG2 3.24Å; P645-V649 PolarHBondContact O-N 2.83Å; I646-V649 PolarHBondContact O-N 3.41Å; V649-F651 PolarHBondContact O-N 3.09Å; V649-G653 VanDerWaalsContact O-CA 3.29Å; V649-G653 WeakPolarHBondContact O-CA 3.47Å; V649-G653 PolarHBondContact O-N 3.16Å; V649-L654 HydrophobicContact CG1-CB 4.29Å; V649-L654 HydrophobicContact CG2-CD1 3.9Å; V649-L657 HydrophobicContact CG2-CB 4.36Å; V649-L657 HydrophobicContact CG2-CD1 3.86Å; V649-L657 HydrophobicContact CG2-CD2 3.75Å; V649-L657 HydrophobicContact CG2-CG 4.19Å
650	R	88	Confident	90.1	Very high	49 Å²	49	25.6 Å²	25.6	19%	0.185	13%	0.134	C	C	.	.	H	α-helix	trans	-62.4	-37.3	179.9	179.9	176.7	176.3	178.5	-0.4	113.4	D596 I646 L647 L648 Y742 C745	D596-R650 IonicContact OD1-CZ 2.74Å; D596-R650 IonicContact OD1-NH1 3.05Å; D596-R650 PolarHBondContact OD1-NH1 3.45Å; D596-R650 IonicContact OD1-NH2 3.71Å; D596-R650 IonicContact OD2-CZ 3.99Å; D596-R650 IonicContact OD2-NH1 3.57Å; D596-R650 PolarHBondContact OD2-NH1 3.27Å; D596-R650 IonicContact OD2-NH2 3.58Å; D596-R650 PolarHBondContact OD2-NH2 3.39Å; I646-R650 WeakPolarHBondContact O-CB 3.29Å; I646-R650 PolarHBondContact O-N 3.23Å; L647-R650 PolarHBondContact O-N 3.34Å; L648-R650 VanDerWaalsContact C-N 3.3Å; L648-R650 PolarHBondContact O-N 3.44Å; R650-Y742 VanDerWaalsContact CZ-O 3.3Å; R650-Y742 PolarHBondContact NH1-O 3.39Å; R650-C745 PolarHBondContact NH2-SG 3.07Å
651	F	89.8	Confident	89.9	Confident	40 Å²	40	25 Å²	25	18%	0.175	13%	0.13	C	C	.	.	H	α-helix	trans	-103.3	-27.1	-174.1	-70.2	-65.8	0	0	0	114.8	L536 V598 L647 L648 V649 L710 S714	L536-F651 HydrophobicContact CD1-CB 4.36Å; L536-F651 HydrophobicContact CD1-CD2 4.08Å; V598-F651 HydrophobicContact CG2-CE2 4.05Å; V598-F651 HydrophobicContact CG2-CZ 4.11Å; L647-F651 HydrophobicContact CD2-CE2 4.22Å; L647-F651 WeakPolarHBondContact O-CD2 3.49Å; L647-F651 PolarHBondContact O-N 2.78Å; L648-F651 PolarHBondContact O-N 3.4Å; V649-F651 PolarHBondContact O-N 3.09Å; F651-L710 HydrophobicContact CE1-CD1 4.17Å; F651-L710 HydrophobicContact CE2-CD1 4.08Å; F651-L710 HydrophobicContact CE2-CD2 3.84Å; F651-L710 HydrophobicContact CE2-CG 4.12Å; F651-L710 HydrophobicContact CZ-CD1 3.85Å; F651-L710 HydrophobicContact CZ-CD2 4.26Å; F651-L710 HydrophobicContact CZ-CG 4.02Å; F651-S714 WeakPolarHBondContact CE1-OG 3.29Å; F651-S714 VanDerWaalsContact CZ-OG 3.22Å; F651-S714 WeakPolarHBondContact CZ-OG 3.32Å
652	S	87.7	Confident	89.8	Confident	17 Å²	17	23.6 Å²	23.6	12%	0.119	12%	0.122	C	C	.	.	H	α-helix	trans	-112	-11.6	-176	-46.5	0	0	0	0	113.3	L648 H656	L648-S652 WeakPolarHBondContact O-CA 3.36Å; L648-S652 WeakPolarHBondContact O-CB 3.4Å; L648-S652 PolarHBondContact O-N 3.07Å; L648-S652 PolarHBondContact O-OG 3.43Å; S652-H656 WeakPolarHBondContact O-CB 3.36Å; S652-H656 PolarHBondContact O-ND1 3.32Å
653	G	85.3	Confident	89.7	Confident	18 Å²	18	23.7 Å²	23.7	19%	0.186	12%	0.123	C	C	.	.			trans	85	161.1	-172.2	0	0	0	0	0	113	V649 L657	V649-G653 VanDerWaalsContact O-CA 3.29Å; V649-G653 WeakPolarHBondContact O-CA 3.47Å; V649-G653 PolarHBondContact O-N 3.16Å; G653-L657 PolarHBondContact O-N 2.83Å
654	L	84	Confident	89.6	Confident	50 Å²	50	23.9 Å²	23.9	26%	0.262	12%	0.124	S	C	.	.	S	Bend	trans	-73	-33.4	-178.7	-178.1	61.9	0	0	0	111.3	Y110 V649 H656 L657	Y110-L654 HydrophobicContact CD1-CD2 4.32Å; Y110-L654 HydrophobicContact CD1-CG 4.44Å; Y110-L654 HydrophobicContact CE1-CD2 4.32Å; Y110-L654 HydrophobicContact CE1-CG 4.08Å; Y110-L654 PolarHBondContact OH-O 3.2Å; Y110-L654 VanDerWaalsContact OH-O 3.14Å; V649-L654 HydrophobicContact CG1-CB 4.29Å; V649-L654 HydrophobicContact CG2-CD1 3.9Å; L654-H656 VanDerWaalsContact C-N 3.32Å; L654-H656 PolarHBondContact O-N 2.78Å; L654-L657 HydrophobicContact CD1-CB 4.5Å; L654-L657 HydrophobicContact CD1-CD2 3.99Å; L654-L657 WeakPolarHBondContact O-CB 3.46Å; L654-L657 PolarHBondContact O-N 2.89Å; L654-L657 VanDerWaalsContact O-N 3.17Å
655	E	84.1	Confident	89.5	Confident	127 Å²	127	22.2 Å²	22.2	59%	0.593	12%	0.115	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-32.9	179.4	67.2	-71.8	170.3	0	0	113.1
656	H	87	Confident	89.3	Confident	74 Å²	74	24.6 Å²	24.6	34%	0.343	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	7.1	175.2	-51.6	106.4	0	0	0	112.9	L527 S652 L654 T658 A659 S660	L527-H656 HydrophobicContact CD2-CB 4.34Å; S652-H656 WeakPolarHBondContact O-CB 3.36Å; S652-H656 PolarHBondContact O-ND1 3.32Å; L654-H656 VanDerWaalsContact C-N 3.32Å; L654-H656 PolarHBondContact O-N 2.78Å; H656-T658 VanDerWaalsContact C-N 3.32Å; H656-T658 PolarHBondContact O-N 3.01Å; H656-A659 PolarHBondContact O-N 3.31Å; H656-S660 VanDerWaalsContact O-CB 3.29Å; H656-S660 WeakPolarHBondContact O-CB 3.32Å; H656-S660 PolarHBondContact O-N 3.01Å; H656-S660 PolarHBondContact O-OG 2.84Å
657	L	89	Confident	89.4	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-57.7	-45.6	-176.6	178	59.1	0	0	0	111.4	V106 N109 P645 L648 V649 G653 L654 A659 S660 F661	V106-L657 HydrophobicContact CG1-CD2 4.31Å; V106-L657 HydrophobicContact CG2-CG 4.36Å; N109-L657 HydrophobicContact CB-CD2 3.59Å; P645-L657 HydrophobicContact CB-CD1 4.25Å; L648-L657 HydrophobicContact CB-CD1 3.82Å; L648-L657 HydrophobicContact CD1-CD1 4.47Å; V649-L657 HydrophobicContact CG2-CB 4.36Å; V649-L657 HydrophobicContact CG2-CD1 3.86Å; V649-L657 HydrophobicContact CG2-CD2 3.75Å; V649-L657 HydrophobicContact CG2-CG 4.19Å; G653-L657 PolarHBondContact O-N 2.83Å; L654-L657 HydrophobicContact CD1-CB 4.5Å; L654-L657 HydrophobicContact CD1-CD2 3.99Å; L654-L657 WeakPolarHBondContact O-CB 3.46Å; L654-L657 PolarHBondContact O-N 2.89Å; L654-L657 VanDerWaalsContact O-N 3.17Å; L657-A659 PolarHBondContact O-N 2.74Å; L657-S660 WeakPolarHBondContact CA-OG 3.33Å; L657-S660 PolarHBondContact O-OG 2.96Å; L657-F661 HydrophobicContact CD1-CB 4.45Å; L657-F661 WeakPolarHBondContact O-CB 3.44Å; L657-F661 PolarHBondContact O-N 3.43Å
658	T	88.4	Confident	89.4	Confident	43 Å²	43	26.7 Å²	26.7	26%	0.264	14%	0.138	S	C	.	.	H	α-helix	trans	-60.8	-48.2	179.5	-50.4	0	0	0	0	111.3	V102 L522 H656 S662	V102-T658 HydrophobicContact CG1-CG2 4.18Å; L522-T658 HydrophobicContact CD2-CG2 3.75Å; H656-T658 VanDerWaalsContact C-N 3.32Å; H656-T658 PolarHBondContact O-N 3.01Å; T658-S662 WeakPolarHBondContact O-CB 3.35Å; T658-S662 PolarHBondContact O-N 3.14Å; T658-S662 PolarHBondContact O-OG 3.02Å
659	A	88.7	Confident	89.3	Confident	9 Å²	9	26.7 Å²	26.7	7%	0.074	14%	0.138	C	C	.	.	H	α-helix	trans	-67.4	-47.4	-178.1	0	0	0	0	0	111.8	L522 D524 L527 H656 L657 S662 N663	L522-A659 WeakPolarHBondContact O-CA 3.4Å; D524-A659 HydrophobicContact CB-CB 4.22Å; L527-A659 HydrophobicContact CD1-CB 3.9Å; H656-A659 PolarHBondContact O-N 3.31Å; L657-A659 PolarHBondContact O-N 2.74Å; A659-S662 PolarHBondContact O-N 2.88Å; A659-N663 VanDerWaalsContact O-CB 3.3Å; A659-N663 WeakPolarHBondContact O-CB 3.36Å; A659-N663 VanDerWaalsContact O-CG 3.29Å; A659-N663 PolarHBondContact O-N 2.76Å; A659-N663 PolarHBondContact O-ND2 3.4Å
660	S	91.8	Very high	89.3	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-64.8	-42.8	179.2	64	0	0	0	0	112.5	F533 H656 L657 L664	F533-S660 WeakPolarHBondContact CE2-O 3.45Å; H656-S660 VanDerWaalsContact O-CB 3.29Å; H656-S660 WeakPolarHBondContact O-CB 3.32Å; H656-S660 PolarHBondContact O-N 3.01Å; H656-S660 PolarHBondContact O-OG 2.84Å; L657-S660 WeakPolarHBondContact CA-OG 3.33Å; L657-S660 PolarHBondContact O-OG 2.96Å; S660-L664 VanDerWaalsContact O-CB 3.24Å; S660-L664 WeakPolarHBondContact O-CB 3.3Å; S660-L664 PolarHBondContact O-N 3.36Å
661	F	91.5	Very high	89.5	Confident	4 Å²	4	30 Å²	30	2%	0.018	16%	0.155	C	C	.	.	H	α-helix	trans	-65.7	-40.5	175.2	-168.3	-107.1	0	0	0	111.9	M101 V102 I105 V106 I644 L648 L657 N665	M101-F661 HydrophobicContact CE-CE1 4.38Å; M101-F661 HydrophobicContact CE-CZ 4.02Å; V102-F661 HydrophobicContact CG1-CD1 4.43Å; V102-F661 HydrophobicContact CG2-CD1 4.08Å; V102-F661 HydrophobicContact CG2-CE1 4.27Å; I105-F661 HydrophobicContact CB-CE1 4.13Å; I105-F661 HydrophobicContact CB-CZ 4.14Å; I105-F661 HydrophobicContact CD1-CE1 3.9Å; I105-F661 HydrophobicContact CD1-CZ 3.47Å; I105-F661 VanDerWaalsContact CD1-CZ 3.47Å; I105-F661 HydrophobicContact CG1-CZ 4.41Å; I105-F661 HydrophobicContact CG2-CE1 4.1Å; I105-F661 HydrophobicContact CG2-CE2 4.15Å; I105-F661 HydrophobicContact CG2-CZ 3.77Å; V106-F661 HydrophobicContact CG2-CD1 4.31Å; I644-F661 HydrophobicContact CG2-CD2 4.2Å; I644-F661 HydrophobicContact CG2-CE2 3.96Å; L648-F661 HydrophobicContact CD1-CB 3.89Å; L648-F661 HydrophobicContact CD1-CD2 3.57Å; L648-F661 HydrophobicContact CD1-CG 4.23Å; L657-F661 HydrophobicContact CD1-CB 4.45Å; L657-F661 WeakPolarHBondContact O-CB 3.44Å; L657-F661 PolarHBondContact O-N 3.43Å; F661-N665 WeakPolarHBondContact CD1-ND2 3.19Å; F661-N665 WeakPolarHBondContact CE1-ND2 3.27Å; F661-N665 WeakPolarHBondContact CZ-ND2 3.4Å; F661-N665 WeakPolarHBondContact O-CB 3.39Å; F661-N665 PolarHBondContact O-N 3.4Å; F661-N665 PolarHBondContact O-ND2 3.04Å
662	S	90	Very high	89.6	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-66	-49.1	178.8	-64	0	0	0	0	112.3	T93 T658 A659 L664 N665 L666	T93-S662 VanDerWaalsContact OG1-CA 3.27Å; T93-S662 WeakPolarHBondContact OG1-CA 3.3Å; T93-S662 PolarHBondContact OG1-O 3.23Å; T658-S662 WeakPolarHBondContact O-CB 3.35Å; T658-S662 PolarHBondContact O-N 3.14Å; T658-S662 PolarHBondContact O-OG 3.02Å; A659-S662 PolarHBondContact O-N 2.88Å; S662-L664 VanDerWaalsContact C-N 3.34Å; S662-L664 PolarHBondContact O-N 3.38Å; S662-N665 PolarHBondContact O-N 3.5Å; S662-L666 WeakPolarHBondContact O-CB 3.48Å; S662-L666 PolarHBondContact O-N 3.49Å
663	N	90.7	Very high	89.6	Confident	3 Å²	3	29.8 Å²	29.8	2%	0.016	15%	0.154	C	C	.	.	H	α-helix	trans	-60.1	-43.7	176.6	-77.1	-19.5	0	0	0	111.6	F523 D524 F528 F533 A659 L667	F523-N663 WeakPolarHBondContact CD1-OD1 3.49Å; D524-N663 PolarHBondContact O-ND2 2.98Å; D524-N663 VanDerWaalsContact O-ND2 3.14Å; F528-N663 HydrophobicContact CE2-CB 4.07Å; F528-N663 HydrophobicContact CZ-CB 4.05Å; F533-N663 HydrophobicContact CE1-CB 4.39Å; F533-N663 HydrophobicContact CZ-CB 3.86Å; A659-N663 VanDerWaalsContact O-CB 3.3Å; A659-N663 WeakPolarHBondContact O-CB 3.36Å; A659-N663 VanDerWaalsContact O-CG 3.29Å; A659-N663 PolarHBondContact O-N 2.76Å; A659-N663 PolarHBondContact O-ND2 3.4Å; N663-L667 PolarHBondContact O-N 3.1Å
664	L	92.9	Very high	89.9	Confident	4 Å²	4	32.4 Å²	32.4	2%	0.021	16%	0.163	C	C	.	.	H	α-helix	trans	-61.7	-47.1	175.3	177.4	63.2	0	0	0	111.5	L536 V537 I644 L648 S660 S662 L667 K668	L536-L664 WeakPolarHBondContact O-CD1 3.41Å; V537-L664 HydrophobicContact CB-CD1 4.45Å; V537-L664 HydrophobicContact CG2-CD1 4.15Å; I644-L664 HydrophobicContact CG2-CD2 3.64Å; L648-L664 HydrophobicContact CD1-CD2 4.03Å; L648-L664 HydrophobicContact CD2-CD2 4.41Å; S660-L664 VanDerWaalsContact O-CB 3.24Å; S660-L664 WeakPolarHBondContact O-CB 3.3Å; S660-L664 PolarHBondContact O-N 3.36Å; S662-L664 VanDerWaalsContact C-N 3.34Å; S662-L664 PolarHBondContact O-N 3.38Å; L664-L667 PolarHBondContact O-N 2.91Å; L664-K668 HydrophobicContact CD1-CD 4.14Å; L664-K668 HydrophobicContact CD1-CG 4.45Å; L664-K668 HydrophobicContact CD2-CD 4.47Å; L664-K668 HydrophobicContact CG-CD 3.86Å; L664-K668 WeakPolarHBondContact O-CB 3.37Å; L664-K668 WeakPolarHBondContact O-CG 3.18Å; L664-K668 PolarHBondContact O-N 3.42Å
665	N	91.2	Very high	90.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-70.1	-33.7	-178.4	-77.4	-27.7	0	0	0	112.9	L91 F661 S662 L667 K668 G669	L91-N665 CarbonylContact C-O 3.53Å; L91-N665 CarbonylContact O-C 3.29Å; L91-N665 VanDerWaalsContact O-CB 3.32Å; L91-N665 WeakPolarHBondContact O-CB 3.37Å; F661-N665 WeakPolarHBondContact CD1-ND2 3.19Å; F661-N665 WeakPolarHBondContact CE1-ND2 3.27Å; F661-N665 WeakPolarHBondContact CZ-ND2 3.4Å; F661-N665 WeakPolarHBondContact O-CB 3.39Å; F661-N665 PolarHBondContact O-N 3.4Å; F661-N665 PolarHBondContact O-ND2 3.04Å; S662-N665 PolarHBondContact O-N 3.5Å; N665-L667 VanDerWaalsContact C-N 3.34Å; N665-L667 PolarHBondContact O-N 3.29Å; N665-K668 PolarHBondContact O-N 3.01Å; N665-K668 PolarHBondContact OD1-NZ 2.8Å; N665-G669 PolarHBondContact O-N 3.36Å
666	L	89.4	Confident	90.6	Very high	50 Å²	50	24.3 Å²	24.3	26%	0.262	13%	0.125	S	C	.	.	H	α-helix	trans	-54.9	-51.9	171.9	176.2	64.6	0	0	0	110.9	C92 F523 S662 G669 I670	C92-L666 HydrophobicContact CB-CD1 4.15Å; F523-L666 HydrophobicContact CD1-CD2 4.32Å; F523-L666 HydrophobicContact CE1-CD2 3.51Å; F523-L666 HydrophobicContact CZ-CD2 4.24Å; S662-L666 WeakPolarHBondContact O-CB 3.48Å; S662-L666 PolarHBondContact O-N 3.49Å; L666-G669 PolarHBondContact O-N 2.85Å; L666-I670 PolarHBondContact O-N 3.16Å
667	L	91.7	Very high	90.8	Very high	40 Å²	40	21.6 Å²	21.6	21%	0.209	11%	0.114	C	C	.	.	H	α-helix	trans	-64.9	-43.8	179	-69.3	173.9	0	0	0	111.5	F528 V537 I541 N663 L664 N665 G669 I670 F671	F528-L667 HydrophobicContact CE1-CD1 3.58Å; F528-L667 HydrophobicContact CZ-CD1 3.81Å; V537-L667 HydrophobicContact CG1-CD1 3.48Å; V537-L667 VanDerWaalsContact CG1-CD1 3.48Å; V537-L667 HydrophobicContact CG2-CD1 4.35Å; I541-L667 HydrophobicContact CD1-CB 4.15Å; I541-L667 HydrophobicContact CD1-CD1 4.37Å; I541-L667 HydrophobicContact CG1-CB 4.16Å; N663-L667 PolarHBondContact O-N 3.1Å; L664-L667 PolarHBondContact O-N 2.91Å; N665-L667 VanDerWaalsContact C-N 3.34Å; N665-L667 PolarHBondContact O-N 3.29Å; L667-G669 VanDerWaalsContact C-N 3.28Å; L667-G669 PolarHBondContact O-N 3.49Å; L667-I670 PolarHBondContact O-N 3.25Å; L667-F671 VanDerWaalsContact O-CD2 3.29Å; L667-F671 WeakPolarHBondContact O-CD2 3.3Å; L667-F671 PolarHBondContact O-N 2.97Å; L667-F671 VanDerWaalsContact O-N 3.1Å
668	K	93	Very high	91	Very high	13 Å²	13	25 Å²	25	6%	0.057	13%	0.134	C	C	.	.	H	α-helix	trans	-55.8	-42.5	173.4	-76.6	170.1	63.6	-161.4	0	112	L91 Q544 L664 N665 I670 F671 S672	L91-K668 HydrophobicContact CD1-CB 4.5Å; Q544-K668 HydrophobicContact CB-CB 4.25Å; Q544-K668 HydrophobicContact CB-CG 4.14Å; Q544-K668 HydrophobicContact CG-CB 3.83Å; Q544-K668 HydrophobicContact CG-CG 4.25Å; Q544-K668 WeakPolarHBondContact CG-O 3.48Å; L664-K668 HydrophobicContact CD1-CD 4.14Å; L664-K668 HydrophobicContact CD1-CG 4.45Å; L664-K668 HydrophobicContact CD2-CD 4.47Å; L664-K668 HydrophobicContact CG-CD 3.86Å; L664-K668 WeakPolarHBondContact O-CB 3.37Å; L664-K668 WeakPolarHBondContact O-CG 3.18Å; L664-K668 PolarHBondContact O-N 3.42Å; N665-K668 PolarHBondContact O-N 3.01Å; N665-K668 PolarHBondContact OD1-NZ 2.8Å; K668-I670 PolarHBondContact O-N 2.91Å; K668-F671 PolarHBondContact O-N 3Å; K668-S672 VanDerWaalsContact O-CB 3.31Å; K668-S672 WeakPolarHBondContact O-CB 3.45Å; K668-S672 PolarHBondContact O-N 3.48Å
669	G	90.9	Very high	91.3	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-58.1	-50	177.9	0	0	0	0	0	112.4	G88 L91 N665 L666 L667 F671 S672 M673	G88-G669 VanDerWaalsContact CA-O 3.3Å; G88-G669 WeakPolarHBondContact CA-O 3.28Å; G88-G669 WeakPolarHBondContact O-CA 3.36Å; L91-G669 VanDerWaalsContact CB-CA 3.48Å; N665-G669 PolarHBondContact O-N 3.36Å; L666-G669 PolarHBondContact O-N 2.85Å; L667-G669 VanDerWaalsContact C-N 3.28Å; L667-G669 PolarHBondContact O-N 3.49Å; G669-F671 VanDerWaalsContact C-N 3.35Å; G669-F671 PolarHBondContact O-N 3.17Å; G669-S672 PolarHBondContact O-N 3.07Å; G669-S672 PolarHBondContact O-OG 3.39Å; G669-M673 PolarHBondContact O-N 3.26Å
670	I	90.4	Very high	91.5	Very high	73 Å²	73	22.6 Å²	22.6	37%	0.374	12%	0.119	S	C	.	.	H	α-helix	trans	-56	-50	176.8	-63.5	168.5	0	0	0	110.8	L666 L667 K668 S672 M673 I674	L666-I670 PolarHBondContact O-N 3.16Å; L667-I670 PolarHBondContact O-N 3.25Å; K668-I670 PolarHBondContact O-N 2.91Å; I670-S672 VanDerWaalsContact C-N 3.34Å; I670-S672 PolarHBondContact O-N 3.11Å; I670-M673 PolarHBondContact O-N 2.84Å; I670-I674 HydrophobicContact CG2-CD1 4.2Å; I670-I674 PolarHBondContact O-N 3.39Å
671	F	93.2	Very high	91.6	Very high	65 Å²	65	25.8 Å²	25.8	29%	0.285	14%	0.138	S	C	.	.	H	α-helix	trans	-74.1	-23.3	-176.7	-76.9	-81.1	0	0	0	113.7	I541 L545 L667 K668 G669 M673 I674 G675	I541-F671 HydrophobicContact CB-CD2 4.21Å; I541-F671 HydrophobicContact CB-CG 4.46Å; I541-F671 HydrophobicContact CD1-CD2 3.99Å; I541-F671 HydrophobicContact CD1-CE2 3.77Å; I541-F671 HydrophobicContact CG1-CD2 3.72Å; I541-F671 HydrophobicContact CG1-CE2 4.05Å; I541-F671 HydrophobicContact CG1-CG 4.41Å; I541-F671 HydrophobicContact CG2-CB 4.12Å; I541-F671 HydrophobicContact CG2-CD1 3.78Å; I541-F671 HydrophobicContact CG2-CD2 3.59Å; I541-F671 HydrophobicContact CG2-CE1 4.03Å; I541-F671 HydrophobicContact CG2-CE2 3.87Å; I541-F671 HydrophobicContact CG2-CG 3.55Å; I541-F671 HydrophobicContact CG2-CZ 4.07Å; L545-F671 HydrophobicContact CD2-CB 4.29Å; L545-F671 HydrophobicContact CD2-CD1 3.99Å; L545-F671 HydrophobicContact CG-CB 4.36Å; L545-F671 HydrophobicContact CG-CD1 4.34Å; L667-F671 VanDerWaalsContact O-CD2 3.29Å; L667-F671 WeakPolarHBondContact O-CD2 3.3Å; L667-F671 PolarHBondContact O-N 2.97Å; L667-F671 VanDerWaalsContact O-N 3.1Å; K668-F671 PolarHBondContact O-N 3Å; G669-F671 VanDerWaalsContact C-N 3.35Å; G669-F671 PolarHBondContact O-N 3.17Å; F671-M673 VanDerWaalsContact C-N 3.26Å; F671-M673 PolarHBondContact O-N 3.19Å; F671-I674 HydrophobicContact CD1-CD1 4.13Å; F671-I674 HydrophobicContact CE1-CD1 4.37Å; F671-I674 PolarHBondContact O-N 2.98Å; F671-G675 PolarHBondContact O-N 2.86Å
672	S	90.3	Very high	91.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-67	-26.9	172.6	76	0	0	0	0	113.5	G88 K668 G669 I670 P676	G88-S672 WeakPolarHBondContact CA-OG 3.29Å; G88-S672 PolarHBondContact N-OG 3.5Å; K668-S672 VanDerWaalsContact O-CB 3.31Å; K668-S672 WeakPolarHBondContact O-CB 3.45Å; K668-S672 PolarHBondContact O-N 3.48Å; G669-S672 PolarHBondContact O-N 3.07Å; G669-S672 PolarHBondContact O-OG 3.39Å; I670-S672 VanDerWaalsContact C-N 3.34Å; I670-S672 PolarHBondContact O-N 3.11Å; S672-P676 WeakPolarHBondContact O-CD 3.38Å
673	M	88.8	Confident	92	Very high	53 Å²	53	28.7 Å²	28.7	26%	0.261	15%	0.154	S	C	.	.	H	α-helix	trans	-75.9	-39.7	174.7	-58.6	170.4	67.8	0	0	110.8	I85 F89 G669 I670 F671 T677	I85-M673 HydrophobicContact CB-CE 4.33Å; I85-M673 HydrophobicContact CG1-CE 3.95Å; I85-M673 HydrophobicContact CG2-CE 4.28Å; F89-M673 HydrophobicContact CD2-CE 4.37Å; F89-M673 HydrophobicContact CE2-CE 4.09Å; G669-M673 PolarHBondContact O-N 3.26Å; I670-M673 PolarHBondContact O-N 2.84Å; F671-M673 VanDerWaalsContact C-N 3.26Å; F671-M673 PolarHBondContact O-N 3.19Å; M673-T677 WeakPolarHBondContact O-CB 3.41Å; M673-T677 PolarHBondContact O-OG1 3.16Å
674	I	91.9	Very high	92.1	Very high	73 Å²	73	31.9 Å²	31.9	37%	0.374	17%	0.168	S	C	.	.	H	α-helix	trans	-70	-47.4	-177.1	-63.7	170.4	0	0	0	110.7	L545 I670 F671 T677 V678	L545-I674 HydrophobicContact CD2-CB 4.46Å; L545-I674 HydrophobicContact CD2-CG2 4.32Å; I670-I674 HydrophobicContact CG2-CD1 4.2Å; I670-I674 PolarHBondContact O-N 3.39Å; F671-I674 HydrophobicContact CD1-CD1 4.13Å; F671-I674 HydrophobicContact CE1-CD1 4.37Å; F671-I674 PolarHBondContact O-N 2.98Å; I674-T677 PolarHBondContact O-N 3.48Å; I674-V678 HydrophobicContact CG2-CG2 3.73Å; I674-V678 WeakPolarHBondContact O-CB 3.32Å; I674-V678 VanDerWaalsContact O-CG2 3.31Å; I674-V678 WeakPolarHBondContact O-CG2 3.46Å; I674-V678 PolarHBondContact O-N 3.44Å
675	G	91	Very high	92.2	Very high	6 Å²	6	41.7 Å²	41.7	6%	0.062	21%	0.207	C	C	.	.	H	α-helix	trans	-54.6	-63.6	-168.7	0	0	0	0	0	115.4	L545 F671 T677 V678 A679	L545-G675 CarbonylContact O-C 3.56Å; L545-G675 WeakPolarHBondContact O-CA 2.94Å; F671-G675 PolarHBondContact O-N 2.86Å; G675-T677 VanDerWaalsContact C-N 3.28Å; G675-T677 PolarHBondContact O-N 3.13Å; G675-V678 PolarHBondContact O-N 3.26Å; G675-A679 WeakPolarHBondContact O-CB 3.29Å; G675-A679 PolarHBondContact O-N 3.35Å
676	P	90.6	Very high	92.4	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.4	-33.8	-178.8	-17.1	29.3	0	0	0	112.5	T84 F548 I549 Y553 S672 A679 I680	T84-P676 HydrophobicContact CG2-CB 3.68Å; T84-P676 HydrophobicContact CG2-CG 4.14Å; F548-P676 HydrophobicContact CB-CG 3.95Å; I549-P676 HydrophobicContact CG1-CB 4.34Å; I549-P676 HydrophobicContact CG1-CG 4.46Å; Y553-P676 HydrophobicContact CE2-CB 3.8Å; Y553-P676 PolarHBondContact OH-O 2.74Å; S672-P676 WeakPolarHBondContact O-CD 3.38Å; P676-A679 PolarHBondContact O-N 2.99Å; P676-I680 WeakPolarHBondContact O-CG2 3.22Å; P676-I680 PolarHBondContact O-N 3.2Å
677	T	92.2	Very high	92.5	Very high	18 Å²	18	46.7 Å²	46.7	11%	0.11	24%	0.244	C	C	.	.	H	α-helix	trans	-62.4	-48.4	176.4	-53.3	0	0	0	0	111.6	T77 M81 T84 M673 I674 G675 A679 I680 T681	T77-T677 HydrophobicContact CG2-CG2 3.93Å; M81-T677 HydrophobicContact CE-CG2 3.42Å; M81-T677 VanDerWaalsContact CE-CG2 3.42Å; M81-T677 HydrophobicContact SD-CG2 3.95Å; T84-T677 PolarHBondContact OG1-OG1 3.2Å; M673-T677 WeakPolarHBondContact O-CB 3.41Å; M673-T677 PolarHBondContact O-OG1 3.16Å; I674-T677 PolarHBondContact O-N 3.48Å; G675-T677 VanDerWaalsContact C-N 3.28Å; G675-T677 PolarHBondContact O-N 3.13Å; T677-A679 VanDerWaalsContact C-N 3.34Å; T677-I680 VanDerWaalsContact O-CG2 3.28Å; T677-I680 WeakPolarHBondContact O-CG2 3.46Å; T677-I680 PolarHBondContact O-N 3.46Å; T677-T681 PolarHBondContact O-N 3.17Å; T677-T681 PolarHBondContact O-OG1 3.19Å
678	V	92.6	Very high	92.6	Very high	71 Å²	71	50 Å²	50	43%	0.43	26%	0.258	S	S	.	.	H	α-helix	trans	-64.1	-42	176.5	169.8	0	0	0	0	110.3	I674 G675 I680 T681 I682	I674-V678 HydrophobicContact CG2-CG2 3.73Å; I674-V678 WeakPolarHBondContact O-CB 3.32Å; I674-V678 VanDerWaalsContact O-CG2 3.31Å; I674-V678 WeakPolarHBondContact O-CG2 3.46Å; I674-V678 PolarHBondContact O-N 3.44Å; G675-V678 PolarHBondContact O-N 3.26Å; V678-I680 PolarHBondContact O-N 3.07Å; V678-T681 PolarHBondContact O-N 3.22Å; V678-I682 HydrophobicContact CG1-CD1 3.93Å; V678-I682 HydrophobicContact CG1-CG1 4.5Å; V678-I682 VanDerWaalsContact O-CG1 3.31Å; V678-I682 WeakPolarHBondContact O-CG1 3.34Å; V678-I682 PolarHBondContact O-N 3.22Å
679	A	94.1	Very high	92.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.7	-46.7	179.2	0	0	0	0	0	112.1	I549 G675 P676 T677 I682 V683 L692	I549-A679 HydrophobicContact CD1-CB 3.77Å; I549-A679 HydrophobicContact CG1-CB 4.37Å; G675-A679 WeakPolarHBondContact O-CB 3.29Å; G675-A679 PolarHBondContact O-N 3.35Å; P676-A679 PolarHBondContact O-N 2.99Å; T677-A679 VanDerWaalsContact C-N 3.34Å; A679-I682 WeakPolarHBondContact O-CB 3.33Å; A679-I682 PolarHBondContact O-N 3.42Å; A679-V683 PolarHBondContact O-N 3.45Å; A679-L692 HydrophobicContact CB-CD2 3.91Å
680	I	93.3	Very high	92.8	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-71.3	-33.1	179.1	-165.8	65	0	0	0	112.4	Q76 T77 Y553 P676 T677 V678 I682 V683 E684 L692	Q76-I680 HydrophobicContact CB-CD1 4.44Å; Q76-I680 HydrophobicContact CB-CG1 4.06Å; T77-I680 HydrophobicContact CG2-CG2 4.47Å; Y553-I680 HydrophobicContact CD1-CD1 4.36Å; Y553-I680 HydrophobicContact CE1-CB 4.22Å; Y553-I680 HydrophobicContact CE1-CD1 4.05Å; Y553-I680 HydrophobicContact CE1-CG1 4.16Å; Y553-I680 HydrophobicContact CE2-CB 4.42Å; Y553-I680 WeakPolarHBondContact OH-CG2 3.12Å; P676-I680 WeakPolarHBondContact O-CG2 3.22Å; P676-I680 PolarHBondContact O-N 3.2Å; T677-I680 VanDerWaalsContact O-CG2 3.28Å; T677-I680 WeakPolarHBondContact O-CG2 3.46Å; T677-I680 PolarHBondContact O-N 3.46Å; V678-I680 PolarHBondContact O-N 3.07Å; I680-I682 VanDerWaalsContact C-N 3.31Å; I680-I682 PolarHBondContact O-N 3.1Å; I680-V683 HydrophobicContact CD1-CB 4.27Å; I680-V683 WeakPolarHBondContact O-CB 3.2Å; I680-V683 PolarHBondContact O-N 3.27Å; I680-V683 VanDerWaalsContact O-N 3.15Å; I680-E684 WeakPolarHBondContact O-CG 3.22Å; I680-E684 PolarHBondContact O-N 3.37Å; I680-L692 HydrophobicContact CD1-CD2 4.28Å
681	T	94.3	Very high	93	Very high	66 Å²	66	51.8 Å²	51.8	41%	0.405	27%	0.266	S	S	.	.	H	α-helix	trans	-62.9	-38.3	172.7	-62.4	0	0	0	0	111.6	T77 T677 V678 V683 E684 Y685	T77-T681 PolarHBondContact OG1-OG1 3.39Å; T677-T681 PolarHBondContact O-N 3.17Å; T677-T681 PolarHBondContact O-OG1 3.19Å; V678-T681 PolarHBondContact O-N 3.22Å; T681-V683 VanDerWaalsContact C-N 3.31Å; T681-V683 PolarHBondContact O-N 2.94Å; T681-E684 PolarHBondContact O-N 3.1Å; T681-Y685 PolarHBondContact O-N 3.45Å
682	I	95.1	Very high	93.1	Very high	57 Å²	57	48.8 Å²	48.8	29%	0.292	25%	0.252	S	S	.	.	H	α-helix	trans	-61.5	-41.7	173.7	-68.5	164.5	0	0	0	110.4	V678 A679 I680 Y685 T686 H691 V695	V678-I682 HydrophobicContact CG1-CD1 3.93Å; V678-I682 HydrophobicContact CG1-CG1 4.5Å; V678-I682 VanDerWaalsContact O-CG1 3.31Å; V678-I682 WeakPolarHBondContact O-CG1 3.34Å; V678-I682 PolarHBondContact O-N 3.22Å; A679-I682 WeakPolarHBondContact O-CB 3.33Å; A679-I682 PolarHBondContact O-N 3.42Å; I680-I682 VanDerWaalsContact C-N 3.31Å; I680-I682 PolarHBondContact O-N 3.1Å; I682-Y685 PolarHBondContact O-N 3.15Å; I682-T686 HydrophobicContact CG2-CG2 4.15Å; I682-T686 WeakPolarHBondContact O-CB 3.28Å; I682-T686 VanDerWaalsContact O-CG2 3.31Å; I682-T686 WeakPolarHBondContact O-CG2 3.29Å; I682-T686 PolarHBondContact O-N 2.55Å; I682-T686 PolarHBondContact O-OG1 3.28Å; I682-H691 HydrophobicContact CG2-CB 3.91Å; I682-V695 HydrophobicContact CD1-CG2 4.06Å
683	V	94.6	Very high	93.4	Very high	9 Å²	9	48.8 Å²	48.8	6%	0.055	25%	0.252	C	S	.	.	H	α-helix	trans	-63.5	-44.2	174.9	176.1	0	0	0	0	111.7	A679 I680 T681 Y685 T686 S687 K689 L692	A679-V683 PolarHBondContact O-N 3.45Å; I680-V683 HydrophobicContact CD1-CB 4.27Å; I680-V683 WeakPolarHBondContact O-CB 3.2Å; I680-V683 PolarHBondContact O-N 3.27Å; I680-V683 VanDerWaalsContact O-N 3.15Å; T681-V683 VanDerWaalsContact C-N 3.31Å; T681-V683 PolarHBondContact O-N 2.94Å; V683-Y685 VanDerWaalsContact C-N 3.25Å; V683-Y685 PolarHBondContact O-N 3.12Å; V683-T686 PolarHBondContact O-N 3.36Å; V683-S687 VanDerWaalsContact O-CA 3.24Å; V683-S687 WeakPolarHBondContact O-CA 3.17Å; V683-S687 PolarHBondContact O-N 2.87Å; V683-K689 HydrophobicContact CG1-CG 3.9Å; V683-L692 HydrophobicContact CG2-CD1 4.14Å; V683-L692 HydrophobicContact CG2-CD2 3.59Å; V683-L692 HydrophobicContact CG2-CG 3.45Å; V683-L692 VanDerWaalsContact CG2-CG 3.45Å
684	E	93.1	Very high	93.7	Very high	70 Å²	70	49.4 Å²	49.4	33%	0.327	26%	0.257	S	S	.	.	H	α-helix	trans	-59.8	-37.9	178.5	-73.8	-177.9	153.3	0	0	111.5	S75 Q76 T77 I680 T681	S75-E684 WeakPolarHBondContact CB-OE1 3.39Å; Q76-E684 WeakPolarHBondContact CA-OE1 3.18Å; Q76-E684 WeakPolarHBondContact CB-OE1 3.35Å; Q76-E684 PolarHBondContact N-OE1 2.93Å; T77-E684 WeakPolarHBondContact CB-OE2 3.4Å; T77-E684 PolarHBondContact N-OE1 3.08Å; T77-E684 PolarHBondContact OG1-OE2 3.07Å; I680-E684 WeakPolarHBondContact O-CG 3.22Å; I680-E684 PolarHBondContact O-N 3.37Å; T681-E684 PolarHBondContact O-N 3.1Å
685	Y	93.9	Very high	93.9	Very high	210 Å²	210	48.1 Å²	48.1	82%	0.824	25%	0.252	S	S	*	.	H	α-helix	trans	-75.8	-45	177.3	-176.9	-101.5	0	0	0	113.3	T681 I682 V683	T681-Y685 PolarHBondContact O-N 3.45Å; I682-Y685 PolarHBondContact O-N 3.15Å; V683-Y685 VanDerWaalsContact C-N 3.25Å; V683-Y685 PolarHBondContact O-N 3.12Å
686	T	95.3	Very high	94.2	Very high	48 Å²	48	47.8 Å²	47.8	29%	0.294	25%	0.249	S	C	.	.	H	α-helix	trans	-84.8	-16.2	-174.8	58.2	0	0	0	0	113.8	I682 V683 Q688 H691	I682-T686 HydrophobicContact CG2-CG2 4.15Å; I682-T686 WeakPolarHBondContact O-CB 3.28Å; I682-T686 VanDerWaalsContact O-CG2 3.31Å; I682-T686 WeakPolarHBondContact O-CG2 3.29Å; I682-T686 PolarHBondContact O-N 2.55Å; I682-T686 PolarHBondContact O-OG1 3.28Å; V683-T686 PolarHBondContact O-N 3.36Å; T686-Q688 PolarHBondContact O-N 2.87Å; T686-Q688 PolarHBondContact OG1-N 3.48Å; T686-H691 WeakPolarHBondContact CB-ND1 3.19Å; T686-H691 PolarHBondContact OG1-CE1 3.08Å; T686-H691 PolarHBondContact OG1-ND1 3.02Å
687	S	91.7	Very high	94.5	Very high	107 Å²	107	47.8 Å²	47.8	75%	0.748	25%	0.249	S	C	*	.			trans	56.8	18.5	-170.4	-57.2	0	0	0	0	114.6	V683	V683-S687 VanDerWaalsContact O-CA 3.24Å; V683-S687 WeakPolarHBondContact O-CA 3.17Å; V683-S687 PolarHBondContact O-N 2.87Å
688	Q	93.6	Very high	94.7	Very high	109 Å²	109	50.7 Å²	50.7	51%	0.509	27%	0.266	S	S	.	.			trans	-119.4	114.6	-180	-69.5	179.3	11.8	0	0	109.8	T686 D690 H691	T686-Q688 PolarHBondContact O-N 2.87Å; T686-Q688 PolarHBondContact OG1-N 3.48Å; Q688-D690 VanDerWaalsContact C-N 3.27Å; Q688-D690 PolarHBondContact O-N 2.94Å; Q688-H691 PolarHBondContact O-ND1 3.26Å; Q688-H691 PolarHBondContact OE1-CE1 3.09Å
689	K	93	Very high	95	Very high	41 Å²	41	48.4 Å²	48.4	18%	0.178	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-22.9	-178	-71.3	-169.4	176.1	-164.2	0	113.7	D556 Y557 S560 V683 H691 L692	D556-K689 PolarHBondContact O-NZ 3.48Å; D556-K689 IonicContact OD1-NZ 3.99Å; D556-K689 IonicContact OD2-NZ 2.65Å; D556-K689 PolarHBondContact OD2-NZ 3.41Å; Y557-K689 HydrophobicContact CD2-CB 4Å; Y557-K689 HydrophobicContact CE2-CB 4.19Å; S560-K689 WeakPolarHBondContact OG-CD 3.1Å; S560-K689 WeakPolarHBondContact OG-CE 3.47Å; S560-K689 PolarHBondContact OG-NZ 3.22Å; V683-K689 HydrophobicContact CG1-CG 3.9Å; K689-H691 PolarHBondContact O-N 2.91Å; K689-H691 VanDerWaalsContact O-N 3.15Å; K689-L692 WeakPolarHBondContact O-CB 3.41Å; K689-L692 WeakPolarHBondContact O-CG 3.4Å; K689-L692 PolarHBondContact O-N 3.2Å
690	D	95	Very high	95.1	Very high	38 Å²	38	48.9 Å²	48.9	20%	0.203	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-28.6	179.2	-60.9	-11.9	0	0	0	112.4	Y557 Y561 V616 Q688 L692 F693 L694	Y557-D690 PolarHBondContact OH-OD1 3.31Å; Y557-D690 VanDerWaalsContact OH-OD1 3.14Å; Y561-D690 PolarHBondContact OH-OD1 3Å; Y561-D690 PolarHBondContact OH-OD2 3.35Å; V616-D690 HydrophobicContact CG1-CB 3.74Å; V616-D690 HydrophobicContact CG2-CB 4.2Å; V616-D690 WeakPolarHBondContact CG2-O 3.47Å; Q688-D690 VanDerWaalsContact C-N 3.27Å; Q688-D690 PolarHBondContact O-N 2.94Å; D690-L692 PolarHBondContact O-N 3.24Å; D690-F693 PolarHBondContact O-N 3.04Å; D690-L694 PolarHBondContact O-N 3.11Å
691	H	95.3	Very high	95.4	Very high	45 Å²	45	51 Å²	51	21%	0.208	27%	0.266	C	S	.	.	H	α-helix	trans	-59.6	-25.5	175.9	-65.8	134.6	0	0	0	113.8	I682 T686 Q688 K689 F693 V695	I682-H691 HydrophobicContact CG2-CB 3.91Å; T686-H691 WeakPolarHBondContact CB-ND1 3.19Å; T686-H691 PolarHBondContact OG1-CE1 3.08Å; T686-H691 PolarHBondContact OG1-ND1 3.02Å; Q688-H691 PolarHBondContact O-ND1 3.26Å; Q688-H691 PolarHBondContact OE1-CE1 3.09Å; K689-H691 PolarHBondContact O-N 2.91Å; K689-H691 VanDerWaalsContact O-N 3.15Å; H691-F693 VanDerWaalsContact C-N 3.35Å; H691-F693 PolarHBondContact O-N 2.84Å; H691-V695 WeakPolarHBondContact O-CB 3.17Å; H691-V695 VanDerWaalsContact O-CG2 3.23Å; H691-V695 WeakPolarHBondContact O-CG2 3.35Å; H691-V695 PolarHBondContact O-N 3.44Å
692	L	95	Very high	95.5	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-56	-52.1	175	-67.9	167.8	0	0	0	110.9	I549 Y553 A679 I680 V683 K689 D690 A696	I549-L692 HydrophobicContact CG2-CB 4.16Å; Y553-L692 HydrophobicContact CD2-CD2 4.02Å; Y553-L692 HydrophobicContact CE2-CD2 4.33Å; Y553-L692 HydrophobicContact CG-CD1 4.24Å; Y553-L692 HydrophobicContact CG-CD2 4.41Å; A679-L692 HydrophobicContact CB-CD2 3.91Å; I680-L692 HydrophobicContact CD1-CD2 4.28Å; V683-L692 HydrophobicContact CG2-CD1 4.14Å; V683-L692 HydrophobicContact CG2-CD2 3.59Å; V683-L692 HydrophobicContact CG2-CG 3.45Å; V683-L692 VanDerWaalsContact CG2-CG 3.45Å; K689-L692 WeakPolarHBondContact O-CB 3.41Å; K689-L692 WeakPolarHBondContact O-CG 3.4Å; K689-L692 PolarHBondContact O-N 3.2Å; D690-L692 PolarHBondContact O-N 3.24Å; L692-A696 WeakPolarHBondContact O-CB 3.43Å; L692-A696 PolarHBondContact O-N 3.27Å; L692-A696 VanDerWaalsContact O-N 3.16Å
693	F	96.6	Very high	95.6	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-84.3	-27.7	-175	-66.8	-77.9	0	0	0	111.9	I549 P550 L554 Y557 H612 L615 V616 Y629 D690 H691 A696 G697	I549-F693 HydrophobicContact CG2-CD1 4.48Å; I549-F693 HydrophobicContact CG2-CE1 4.34Å; P550-F693 HydrophobicContact CB-CE1 4.17Å; P550-F693 HydrophobicContact CG-CE1 4.08Å; L554-F693 HydrophobicContact CB-CZ 4.17Å; L554-F693 HydrophobicContact CD1-CE1 4.33Å; L554-F693 HydrophobicContact CD1-CE2 4.46Å; L554-F693 HydrophobicContact CD1-CZ 3.76Å; Y557-F693 HydrophobicContact CD1-CD2 4.49Å; Y557-F693 AromaticContact CD1-CE2 3.96Å; Y557-F693 HydrophobicContact CD1-CE2 3.96Å; Y557-F693 AromaticContact CD2-CD2 3.78Å; Y557-F693 HydrophobicContact CD2-CD2 3.78Å; Y557-F693 AromaticContact CD2-CE2 3.54Å; Y557-F693 HydrophobicContact CD2-CE2 3.54Å; Y557-F693 HydrophobicContact CE1-CD2 4.49Å; Y557-F693 HydrophobicContact CE1-CE2 4.39Å; Y557-F693 AromaticContact CE2-CD2 3.77Å; Y557-F693 HydrophobicContact CE2-CD2 3.77Å; Y557-F693 AromaticContact CE2-CE2 4Å; Y557-F693 HydrophobicContact CE2-CE2 4Å; Y557-F693 HydrophobicContact CG-CD2 4.15Å; Y557-F693 AromaticContact CG-CE2 3.51Å; Y557-F693 HydrophobicContact CG-CE2 3.51Å; H612-F693 WeakPolarHBondContact CB-O 3.3Å; H612-F693 AromaticContact ND1-CD1 3.74Å; L615-F693 HydrophobicContact CD2-CB 3.96Å; L615-F693 HydrophobicContact CD2-CD1 3.53Å; L615-F693 HydrophobicContact CD2-CD2 3.62Å; L615-F693 HydrophobicContact CD2-CE1 3.85Å; L615-F693 HydrophobicContact CD2-CE2 3.94Å; L615-F693 HydrophobicContact CD2-CG 3.4Å; L615-F693 VanDerWaalsContact CD2-CG 3.4Å; L615-F693 HydrophobicContact CD2-CZ 4.05Å; V616-F693 HydrophobicContact CG2-CB 4.22Å; Y629-F693 WeakPolarHBondContact OH-CE1 3.39Å; D690-F693 PolarHBondContact O-N 3.04Å; H691-F693 VanDerWaalsContact C-N 3.35Å; H691-F693 PolarHBondContact O-N 2.84Å; F693-A696 PolarHBondContact O-N 2.94Å; F693-G697 PolarHBondContact O-N 3.28Å
694	L	95.8	Very high	95.8	Very high	67 Å²	67	47.9 Å²	47.9	35%	0.351	25%	0.25	S	C	.	.	H	α-helix	trans	-62.3	-48	171.1	-169.9	69	0	0	0	111.6	D690 A696 G697 V698	D690-L694 PolarHBondContact O-N 3.11Å; L694-A696 VanDerWaalsContact C-N 3.33Å; L694-A696 PolarHBondContact O-N 3.39Å; L694-G697 PolarHBondContact O-N 3.12Å; L694-V698 WeakPolarHBondContact O-CG2 3.4Å; L694-V698 PolarHBondContact O-N 3.27Å
695	V	95.7	Very high	95.9	Very high	45 Å²	45	49.7 Å²	49.7	27%	0.273	26%	0.261	S	S	.	.	H	α-helix	trans	-60.9	-44.9	175.7	171.3	0	0	0	0	110.3	I682 H691 G697 V698 C699	I682-V695 HydrophobicContact CD1-CG2 4.06Å; H691-V695 WeakPolarHBondContact O-CB 3.17Å; H691-V695 VanDerWaalsContact O-CG2 3.23Å; H691-V695 WeakPolarHBondContact O-CG2 3.35Å; H691-V695 PolarHBondContact O-N 3.44Å; V695-G697 VanDerWaalsContact C-N 3.31Å; V695-G697 PolarHBondContact O-N 3.44Å; V695-V698 PolarHBondContact O-N 3.19Å; V695-C699 PolarHBondContact O-N 3.24Å; V695-C699 PolarHBondContact O-SG 3.12Å
696	A	96.9	Very high	96	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-57	-44.7	176.5	0	0	0	0	0	112.4	A546 I549 H612 L692 F693 L694 C699 Y700	A546-A696 HydrophobicContact CB-CB 3.9Å; I549-A696 HydrophobicContact CB-CB 4.45Å; I549-A696 HydrophobicContact CD1-CB 3.91Å; I549-A696 HydrophobicContact CG2-CB 4.37Å; H612-A696 HydrophobicContact CB-CB 4.48Å; L692-A696 WeakPolarHBondContact O-CB 3.43Å; L692-A696 PolarHBondContact O-N 3.27Å; L692-A696 VanDerWaalsContact O-N 3.16Å; F693-A696 PolarHBondContact O-N 2.94Å; L694-A696 VanDerWaalsContact C-N 3.33Å; L694-A696 PolarHBondContact O-N 3.39Å; A696-C699 PolarHBondContact O-N 3.4Å; A696-Y700 WeakPolarHBondContact O-CD2 3.42Å; A696-Y700 PolarHBondContact O-N 3.3Å; A696-Y700 VanDerWaalsContact O-N 3.12Å
697	G	97.7	Very high	96	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.2	-45.6	178.4	0	0	0	0	0	113.2	F693 L694 V695 C699 Y700 I701	F693-G697 PolarHBondContact O-N 3.28Å; L694-G697 PolarHBondContact O-N 3.12Å; V695-G697 VanDerWaalsContact C-N 3.31Å; V695-G697 PolarHBondContact O-N 3.44Å; G697-C699 PolarHBondContact O-N 2.96Å; G697-Y700 PolarHBondContact O-N 3.1Å; G697-I701 VanDerWaalsContact O-CG1 3.29Å; G697-I701 WeakPolarHBondContact O-CG1 3.5Å; G697-I701 PolarHBondContact O-N 3.06Å
698	V	96.9	Very high	96	Very high	79 Å²	79	39.7 Å²	39.7	48%	0.479	21%	0.211	S	C	.	.	H	α-helix	trans	-60.4	-46.1	176.9	173.2	0	0	0	0	111	L694 V695 Y700 I701 V702	L694-V698 WeakPolarHBondContact O-CG2 3.4Å; L694-V698 PolarHBondContact O-N 3.27Å; V695-V698 PolarHBondContact O-N 3.19Å; V698-Y700 VanDerWaalsContact C-N 3.35Å; V698-Y700 PolarHBondContact O-N 3.12Å; V698-I701 PolarHBondContact O-N 3.47Å; V698-V702 HydrophobicContact CG1-CG2 4.41Å; V698-V702 WeakPolarHBondContact O-CG2 3.35Å; V698-V702 PolarHBondContact O-N 3.41Å
699	C	97.5	Very high	95.9	Very high	23 Å²	23	35.5 Å²	35.5	16%	0.155	20%	0.197	C	C	.	.	H	α-helix	trans	-57.2	-44.5	177.1	-75.7	0	0	0	0	112.7	T542 A546 V695 A696 G697 V702 S703	T542-C699 WeakPolarHBondContact O-CB 3.06Å; A546-C699 HydrophobicContact CB-CB 3.7Å; V695-C699 PolarHBondContact O-N 3.24Å; V695-C699 PolarHBondContact O-SG 3.12Å; A696-C699 PolarHBondContact O-N 3.4Å; G697-C699 PolarHBondContact O-N 2.96Å; C699-V702 PolarHBondContact O-N 2.89Å; C699-S703 WeakPolarHBondContact O-CB 3.16Å; C699-S703 PolarHBondContact O-N 3.41Å
700	Y	98	Very high	95.8	Very high	9 Å²	9	33.5 Å²	33.5	4%	0.035	19%	0.188	C	C	.	.	H	α-helix	trans	-68.1	-39.2	176.4	-92.5	-105.8	0	0	0	112.8	A546 T605 G609 Y633 A696 G697 V698 S703 A704	A546-Y700 HydrophobicContact CB-CD2 3.56Å; A546-Y700 HydrophobicContact CB-CE2 3.55Å; T605-Y700 HydrophobicContact CG2-CD1 3.7Å; T605-Y700 HydrophobicContact CG2-CE1 4.36Å; T605-Y700 HydrophobicContact CG2-CG 4.41Å; T605-Y700 WeakPolarHBondContact CG2-O 3.31Å; T605-Y700 WeakPolarHBondContact O-CD1 3.22Å; G609-Y700 VanDerWaalsContact CA-CB 3.41Å; Y633-Y700 HydrophobicContact CE2-CE1 4.28Å; Y633-Y700 HydrophobicContact CE2-CE2 4.49Å; Y633-Y700 PolarHBondContact OH-OH 3.42Å; A696-Y700 WeakPolarHBondContact O-CD2 3.42Å; A696-Y700 PolarHBondContact O-N 3.3Å; A696-Y700 VanDerWaalsContact O-N 3.12Å; G697-Y700 PolarHBondContact O-N 3.1Å; V698-Y700 VanDerWaalsContact C-N 3.35Å; V698-Y700 PolarHBondContact O-N 3.12Å; Y700-S703 WeakPolarHBondContact O-CB 3.44Å; Y700-S703 PolarHBondContact O-N 3.41Å; Y700-A704 PolarHBondContact O-N 2.92Å
701	I	97.8	Very high	95.4	Very high	47 Å²	47	32 Å²	32	24%	0.241	18%	0.18	C	C	.	.	H	α-helix	trans	-63.9	-43.1	176.6	-68.8	165.3	0	0	0	110.4	V613 G697 V698 S703 A704 L705	V613-I701 HydrophobicContact CG2-CD1 4.07Å; G697-I701 VanDerWaalsContact O-CG1 3.29Å; G697-I701 WeakPolarHBondContact O-CG1 3.5Å; G697-I701 PolarHBondContact O-N 3.06Å; V698-I701 PolarHBondContact O-N 3.47Å; I701-S703 VanDerWaalsContact C-N 3.32Å; I701-S703 PolarHBondContact O-N 3.1Å; I701-A704 WeakPolarHBondContact O-CB 3.36Å; I701-A704 PolarHBondContact O-N 3.43Å; I701-L705 WeakPolarHBondContact O-CG 3.37Å; I701-L705 PolarHBondContact O-N 3Å
702	V	97.6	Very high	94.8	Very high	62 Å²	62	39.9 Å²	39.9	38%	0.376	21%	0.208	S	C	.	.	H	α-helix	trans	-60.7	-43.4	173.9	174.4	0	0	0	0	110.8	T542 V698 C699 A704 L705 L706	T542-V702 HydrophobicContact CG2-CG1 3.95Å; V698-V702 HydrophobicContact CG1-CG2 4.41Å; V698-V702 WeakPolarHBondContact O-CG2 3.35Å; V698-V702 PolarHBondContact O-N 3.41Å; C699-V702 PolarHBondContact O-N 2.89Å; V702-A704 VanDerWaalsContact C-N 3.31Å; V702-A704 PolarHBondContact O-N 3.1Å; V702-L705 PolarHBondContact O-N 2.77Å; V702-L706 WeakPolarHBondContact O-CG 3.41Å; V702-L706 PolarHBondContact O-N 3.2Å
703	S	97.6	Very high	94	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-59.8	-40.2	175	-170.2	0	0	0	0	112.3	I539 T542 C699 Y700 I701 L706 H707	I539-S703 PolarHBondContact O-OG 3.3Å; I539-S703 VanDerWaalsContact O-OG 3.06Å; T542-S703 WeakPolarHBondContact OG1-CA 3.08Å; T542-S703 WeakPolarHBondContact OG1-CB 3.37Å; T542-S703 PolarHBondContact OG1-OG 3.05Å; C699-S703 WeakPolarHBondContact O-CB 3.16Å; C699-S703 PolarHBondContact O-N 3.41Å; Y700-S703 WeakPolarHBondContact O-CB 3.44Å; Y700-S703 PolarHBondContact O-N 3.41Å; I701-S703 VanDerWaalsContact C-N 3.32Å; I701-S703 PolarHBondContact O-N 3.1Å; S703-L706 PolarHBondContact O-N 2.94Å; S703-H707 PolarHBondContact O-N 3.09Å; S703-H707 VanDerWaalsContact O-N 3.11Å; S703-H707 PolarHBondContact O-ND1 3.48Å
704	A	97.2	Very high	93	Very high	5 Å²	5	44.7 Å²	44.7	4%	0.041	23%	0.23	C	C	.	.	H	α-helix	trans	-65.7	-38.6	175.6	0	0	0	0	0	112.8	T605 F606 Y700 I701 V702 L706 H707 L708	T605-A704 HydrophobicContact CG2-CB 4.36Å; F606-A704 HydrophobicContact CB-CB 3.72Å; F606-A704 HydrophobicContact CD2-CB 4.14Å; F606-A704 HydrophobicContact CG-CB 4.42Å; Y700-A704 PolarHBondContact O-N 2.92Å; I701-A704 WeakPolarHBondContact O-CB 3.36Å; I701-A704 PolarHBondContact O-N 3.43Å; V702-A704 VanDerWaalsContact C-N 3.31Å; V702-A704 PolarHBondContact O-N 3.1Å; A704-L706 VanDerWaalsContact C-N 3.3Å; A704-L706 PolarHBondContact O-N 3.05Å; A704-H707 WeakPolarHBondContact O-CB 3.47Å; A704-H707 PolarHBondContact O-N 3.4Å; A704-L708 PolarHBondContact O-N 3.34Å; A704-L708 VanDerWaalsContact O-N 3.15Å
705	L	96.1	Very high	91.2	Very high	108 Å²	108	42.9 Å²	42.9	57%	0.565	22%	0.223	S	C	*	.	H	α-helix	trans	-63	-37.2	173.8	-67.2	174.8	0	0	0	111.8	I701 V702 H707 L708 G709	I701-L705 WeakPolarHBondContact O-CG 3.37Å; I701-L705 PolarHBondContact O-N 3Å; V702-L705 PolarHBondContact O-N 2.77Å; L705-H707 VanDerWaalsContact C-N 3.35Å; L705-L708 HydrophobicContact CD2-CD1 4.29Å; L705-L708 WeakPolarHBondContact O-CB 3.38Å; L705-L708 PolarHBondContact O-N 3.24Å; L705-G709 PolarHBondContact O-N 3.11Å
706	L	96.6	Very high	89.4	Confident	48 Å²	48	47.7 Å²	47.7	25%	0.251	24%	0.24	S	C	.	.	H	α-helix	trans	-66.2	-35.3	174.5	-68.5	171.3	0	0	0	112.4	Y535 G538 I539 T542 V702 S703 A704 L708 G709 L710	Y535-L706 HydrophobicContact CD1-CD2 4.39Å; Y535-L706 WeakPolarHBondContact CD1-O 3.49Å; Y535-L706 HydrophobicContact CE1-CD2 4.44Å; G538-L706 VanDerWaalsContact C-CD1 3.46Å; I539-L706 HydrophobicContact CD1-CB 4.44Å; I539-L706 HydrophobicContact CG1-CB 3.61Å; T542-L706 HydrophobicContact CG2-CD1 4.06Å; V702-L706 WeakPolarHBondContact O-CG 3.41Å; V702-L706 PolarHBondContact O-N 3.2Å; S703-L706 PolarHBondContact O-N 2.94Å; A704-L706 VanDerWaalsContact C-N 3.3Å; A704-L706 PolarHBondContact O-N 3.05Å; L706-L708 VanDerWaalsContact C-N 3.35Å; L706-G709 PolarHBondContact O-N 3.49Å; L706-L710 PolarHBondContact O-N 2.78Å
707	H	95.2	Very high	87.6	Confident	4 Å²	4	49.6 Å²	49.6	2%	0.019	26%	0.256	C	S	.	.	H	α-helix	trans	-61.5	-41.8	171	-74	87	0	0	0	112	I539 S601 G602 S703 A704 L705 G709 L710 C711	I539-H707 HydrophobicContact CD1-CB 4.35Å; I539-H707 WeakPolarHBondContact CG2-CE1 3.46Å; S601-H707 PolarHBondContact OG-NE2 3.26Å; G602-H707 PolarHBondContact N-CD2 3.07Å; S703-H707 PolarHBondContact O-N 3.09Å; S703-H707 VanDerWaalsContact O-N 3.11Å; S703-H707 PolarHBondContact O-ND1 3.48Å; A704-H707 WeakPolarHBondContact O-CB 3.47Å; A704-H707 PolarHBondContact O-N 3.4Å; L705-H707 VanDerWaalsContact C-N 3.35Å; H707-G709 VanDerWaalsContact C-N 3.28Å; H707-G709 PolarHBondContact O-N 2.76Å; H707-L710 PolarHBondContact O-N 2.86Å; H707-C711 PolarHBondContact O-N 3.41Å; H707-C711 PolarHBondContact O-SG 2.85Å; H707-C711 VanDerWaalsContact O-SG 3.41Å
708	L	92.1	Very high	85.7	Confident	103 Å²	103	54.7 Å²	54.7	54%	0.539	28%	0.278	S	S	.	.	H	α-helix	trans	-62.3	-37.3	174.9	-64.9	176.2	0	0	0	111.7	A704 L705 L706 C711 R712	A704-L708 PolarHBondContact O-N 3.34Å; A704-L708 VanDerWaalsContact O-N 3.15Å; L705-L708 HydrophobicContact CD2-CD1 4.29Å; L705-L708 WeakPolarHBondContact O-CB 3.38Å; L705-L708 PolarHBondContact O-N 3.24Å; L706-L708 VanDerWaalsContact C-N 3.35Å; L708-C711 WeakPolarHBondContact O-CB 3.49Å; L708-C711 PolarHBondContact O-N 3.09Å; L708-R712 PolarHBondContact O-N 3.24Å; L708-R712 VanDerWaalsContact O-N 3.1Å
709	G	90.7	Very high	83	Confident	20 Å²	20	59 Å²	59	21%	0.206	29%	0.287	C	S	.	.	H	α-helix	trans	-60.1	-47.9	172	0	0	0	0	0	112.6	L705 L706 H707 C711 R712 Y713	L705-G709 PolarHBondContact O-N 3.11Å; L706-G709 PolarHBondContact O-N 3.49Å; H707-G709 VanDerWaalsContact C-N 3.28Å; H707-G709 PolarHBondContact O-N 2.76Å; G709-C711 VanDerWaalsContact C-N 3.35Å; G709-C711 PolarHBondContact O-N 3.47Å; G709-R712 PolarHBondContact O-N 3.35Å; G709-Y713 PolarHBondContact O-N 2.8Å
710	L	91.6	Very high	80.6	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-61.4	-40.3	176.7	-178	58.4	0	0	0	112.3	Y535 L536 I539 V598 F651 L706 H707 R712 Y713 S714	Y535-L710 HydrophobicContact CD1-CB 4.34Å; Y535-L710 HydrophobicContact CD2-CD1 4.46Å; Y535-L710 HydrophobicContact CG-CB 4.15Å; Y535-L710 HydrophobicContact CG-CD1 4.36Å; L536-L710 HydrophobicContact CD2-CD2 3.66Å; L536-L710 HydrophobicContact CG-CD2 4.19Å; I539-L710 HydrophobicContact CD1-CD2 4.07Å; V598-L710 HydrophobicContact CG1-CB 4.42Å; V598-L710 HydrophobicContact CG1-CD2 4.14Å; V598-L710 HydrophobicContact CG1-CG 4.22Å; F651-L710 HydrophobicContact CE1-CD1 4.17Å; F651-L710 HydrophobicContact CE2-CD1 4.08Å; F651-L710 HydrophobicContact CE2-CD2 3.84Å; F651-L710 HydrophobicContact CE2-CG 4.12Å; F651-L710 HydrophobicContact CZ-CD1 3.85Å; F651-L710 HydrophobicContact CZ-CD2 4.26Å; F651-L710 HydrophobicContact CZ-CG 4.02Å; L706-L710 PolarHBondContact O-N 2.78Å; H707-L710 PolarHBondContact O-N 2.86Å; L710-R712 PolarHBondContact O-N 3.31Å; L710-Y713 PolarHBondContact O-N 3.36Å; L710-S714 WeakPolarHBondContact O-CB 3.31Å; L710-S714 PolarHBondContact O-N 2.98Å; L710-S714 PolarHBondContact O-OG 2.89Å
711	C	85.8	Confident	78.4	Confident	6 Å²	6	67.5 Å²	67.5	4%	0.041	33%	0.329	C	S	.	.	H	α-helix	trans	-57.4	-48.5	173.4	-74.6	0	0	0	0	111.7	V598 Y599 H707 L708 G709 S714 C715	V598-C711 WeakPolarHBondContact CG1-SG 3.35Å; Y599-C711 HydrophobicContact CE1-CB 4.49Å; Y599-C711 HydrophobicContact CE2-CB 4.31Å; H707-C711 PolarHBondContact O-N 3.41Å; H707-C711 PolarHBondContact O-SG 2.85Å; H707-C711 VanDerWaalsContact O-SG 3.41Å; L708-C711 WeakPolarHBondContact O-CB 3.49Å; L708-C711 PolarHBondContact O-N 3.09Å; G709-C711 VanDerWaalsContact C-N 3.35Å; G709-C711 PolarHBondContact O-N 3.47Å; C711-S714 PolarHBondContact O-N 3.43Å; C711-C715 PolarHBondContact O-N 2.77Å; C711-C715 PolarHBondContact O-SG 3.07Å
712	R	81.6	Confident	76.2	Confident	210 Å²	210	68.2 Å²	68.2	79%	0.792	34%	0.338	S	S	*	.	H	α-helix	trans	-64.9	-41.7	-177.9	-171	177.4	179.6	114.3	-0.5	111.6	L708 G709 L710 C715 F716	L708-R712 PolarHBondContact O-N 3.24Å; L708-R712 VanDerWaalsContact O-N 3.1Å; G709-R712 PolarHBondContact O-N 3.35Å; L710-R712 PolarHBondContact O-N 3.31Å; R712-C715 PolarHBondContact O-N 2.86Å; R712-F716 WeakPolarHBondContact O-CB 3.44Å; R712-F716 PolarHBondContact O-N 2.89Å
713	Y	79.9	Confident	73.6	Confident	83 Å²	83	68 Å²	68	33%	0.325	34%	0.339	S	S	.	.	H	α-helix	trans	-61.4	-47.1	175.8	-176	-99.4	0	0	0	111.7	P531 S532 G709 L710 C715 F716 A717	P531-Y713 HydrophobicContact CB-CE1 4.29Å; P531-Y713 HydrophobicContact CB-CE2 4.07Å; P531-Y713 HydrophobicContact CG-CE2 4.44Å; S532-Y713 WeakPolarHBondContact OG-CE1 3.28Å; G709-Y713 PolarHBondContact O-N 2.8Å; L710-Y713 PolarHBondContact O-N 3.36Å; Y713-C715 VanDerWaalsContact C-N 3.34Å; Y713-C715 PolarHBondContact O-N 3.37Å; Y713-F716 PolarHBondContact O-N 3.42Å; Y713-A717 PolarHBondContact O-N 3.29Å
714	S	73.8	Confident	71.3	Confident	19 Å²	19	71.5 Å²	71.5	13%	0.133	36%	0.361	C	S	.	.	H	α-helix	trans	-60.8	-41.1	179.5	-55.3	0	0	0	0	112.6	F651 L710 C711 K718	F651-S714 WeakPolarHBondContact CE1-OG 3.29Å; F651-S714 VanDerWaalsContact CZ-OG 3.22Å; F651-S714 WeakPolarHBondContact CZ-OG 3.32Å; L710-S714 WeakPolarHBondContact O-CB 3.31Å; L710-S714 PolarHBondContact O-N 2.98Å; L710-S714 PolarHBondContact O-OG 2.89Å; C711-S714 PolarHBondContact O-N 3.43Å; S714-K718 PolarHBondContact O-N 3.23Å
715	C	59.5	Low	68.8	Low	30 Å²	30	75.7 Å²	75.7	20%	0.203	38%	0.383	C	S	.	.	H	α-helix	trans	-67.7	-41.2	176.8	-65.2	0	0	0	0	111.8	C711 R712 Y713 K718 Y719	C711-C715 PolarHBondContact O-N 2.77Å; C711-C715 PolarHBondContact O-SG 3.07Å; R712-C715 PolarHBondContact O-N 2.86Å; Y713-C715 VanDerWaalsContact C-N 3.34Å; Y713-C715 PolarHBondContact O-N 3.37Å; C715-K718 PolarHBondContact O-N 3.14Å; C715-Y719 PolarHBondContact O-N 3.46Å; C715-Y719 VanDerWaalsContact O-N 3.12Å
716	F	56.3	Low	66.2	Low	145 Å²	145	78.3 Å²	78.3	64%	0.636	39%	0.389	S	S	*	.	H	α-helix	trans	-66	-43.1	-179.1	-172.5	-96.7	0	0	0	112.6	R712 Y713 K718 Y719 S720	R712-F716 WeakPolarHBondContact O-CB 3.44Å; R712-F716 PolarHBondContact O-N 2.89Å; Y713-F716 PolarHBondContact O-N 3.42Å; F716-K718 VanDerWaalsContact C-N 3.25Å; F716-K718 PolarHBondContact O-N 3.37Å; F716-Y719 PolarHBondContact O-N 2.79Å; F716-Y719 VanDerWaalsContact O-N 3.17Å; F716-S720 PolarHBondContact O-N 2.67Å
717	A	60.4	Low	63.8	Low	41 Å²	41	84.1 Å²	84.1	34%	0.339	42%	0.415	S	S	.	.	H	α-helix	trans	-59.6	-36.9	176.6	0	0	0	0	0	112.2	Y713 K721	Y713-A717 PolarHBondContact O-N 3.29Å; A717-K721 PolarHBondContact O-N 3.19Å
718	K	57.4	Low	61.3	Low	106 Å²	106	94 Å²	94	46%	0.461	45%	0.452	S	S	.	.	H	α-helix	trans	-70	-38.5	176.5	-159.5	172.9	-174.5	176.5	0	112.2	S714 C715 F716 S722	S714-K718 PolarHBondContact O-N 3.23Å; C715-K718 PolarHBondContact O-N 3.14Å; F716-K718 VanDerWaalsContact C-N 3.25Å; F716-K718 PolarHBondContact O-N 3.37Å; K718-S722 PolarHBondContact O-N 3.23Å; K718-S722 VanDerWaalsContact O-N 3.08Å
719	Y	40.8	Very low	58.7	Low	170 Å²	170	93.2 Å²	93.2	67%	0.667	45%	0.452	S	S	*	.	H	α-helix	trans	-64.3	-44.9	176.5	-170.9	-93.9	0	0	0	112.1	C715 F716 K721 S722 S723	C715-Y719 PolarHBondContact O-N 3.46Å; C715-Y719 VanDerWaalsContact O-N 3.12Å; F716-Y719 PolarHBondContact O-N 2.79Å; F716-Y719 VanDerWaalsContact O-N 3.17Å; Y719-K721 PolarHBondContact O-N 3.26Å; Y719-S722 PolarHBondContact O-N 3.07Å; Y719-S722 VanDerWaalsContact O-N 3.16Å; Y719-S723 PolarHBondContact O-OG 3.42Å; Y719-S723 PolarHBondContact O-N 3.44Å
720	S	45.8	Very low	56.3	Low	59 Å²	59	99.5 Å²	99.5	41%	0.413	48%	0.481	S	S	.	.	H	α-helix	trans	-54.7	-47.6	176.4	164.9	0	0	0	0	112.5	F716 S723 T724	F716-S720 PolarHBondContact O-N 2.67Å; S720-S723 PolarHBondContact O-OG 3.34Å; S720-S723 PolarHBondContact O-N 2.87Å; S720-T724 PolarHBondContact O-N 3.4Å; S720-T724 PolarHBondContact O-OG1 2.8Å
721	K	53.5	Low	53.7	Low	152 Å²	152	105.6 Å²	105.6	66%	0.661	51%	0.513	S	S	*	.	H	α-helix	trans	-66.7	-37	177.1	-72.1	-174.7	179.1	-178.1	0	113	A717 Y719 T724 N725	A717-K721 PolarHBondContact O-N 3.19Å; Y719-K721 PolarHBondContact O-N 3.26Å; K721-T724 WeakPolarHBondContact CA-OG1 3.47Å; K721-T724 PolarHBondContact O-N 3.32Å; K721-T724 PolarHBondContact O-OG1 2.92Å; K721-T724 VanDerWaalsContact O-OG1 3.09Å; K721-N725 WeakPolarHBondContact O-CB 3.48Å; K721-N725 PolarHBondContact O-N 2.9Å
722	S	50	Low	51.3	Low	62 Å²	62	115.4 Å²	115.4	43%	0.434	55%	0.551	S	S	.	*	H	α-helix	trans	-66.7	-39.7	177.5	178.2	0	0	0	0	112.2	K718 Y719 N725 K726	K718-S722 PolarHBondContact O-N 3.23Å; K718-S722 VanDerWaalsContact O-N 3.08Å; Y719-S722 PolarHBondContact O-N 3.07Å; Y719-S722 VanDerWaalsContact O-N 3.16Å; S722-N725 PolarHBondContact O-N 3.25Å; S722-K726 PolarHBondContact O-N 2.8Å
723	S	43.4	Very low	49.1	Very low	57 Å²	57	113.3 Å²	113.3	40%	0.399	56%	0.555	S	S	.	*	H	α-helix	trans	-66.1	-35.9	177	52.3	0	0	0	0	113.2	Y719 S720	Y719-S723 PolarHBondContact O-OG 3.42Å; Y719-S723 PolarHBondContact O-N 3.44Å; S720-S723 PolarHBondContact O-OG 3.34Å; S720-S723 PolarHBondContact O-N 2.87Å
724	T	48.7	Very low	47.2	Very low	73 Å²	73	115.5 Å²	115.5	45%	0.448	57%	0.573	S	S	.	*	H	α-helix	trans	-72.6	-38.7	175	25.6	0	0	0	0	111.8	S720 K721 Q727 R728	S720-T724 PolarHBondContact O-N 3.4Å; S720-T724 PolarHBondContact O-OG1 2.8Å; K721-T724 WeakPolarHBondContact CA-OG1 3.47Å; K721-T724 PolarHBondContact O-N 3.32Å; K721-T724 PolarHBondContact O-OG1 2.92Å; K721-T724 VanDerWaalsContact O-OG1 3.09Å; T724-Q727 PolarHBondContact O-N 2.83Å; T724-R728 PolarHBondContact O-N 2.95Å
725	N	46.6	Very low	45.4	Very low	94 Å²	94	121.4 Å²	121.4	50%	0.503	61%	0.608	S	S	.	*	H	α-helix	trans	-68.9	-35.3	175.2	-82.5	-3.4	0	0	0	112.9	K721 S722 Q727 R728 T729	K721-N725 WeakPolarHBondContact O-CB 3.48Å; K721-N725 PolarHBondContact O-N 2.9Å; S722-N725 PolarHBondContact O-N 3.25Å; N725-Q727 PolarHBondContact O-N 3.5Å; N725-Q727 VanDerWaalsContact O-N 3.16Å; N725-R728 CarbonylContact O-C 3.44Å; N725-R728 WeakPolarHBondContact O-CA 3.23Å; N725-R728 PolarHBondContact O-N 3.03Å; N725-T729 VanDerWaalsContact O-OG1 3.11Å; N725-T729 PolarHBondContact O-OG1 3.32Å; N725-T729 WeakPolarHBondContact O-CG2 3.17Å; N725-T729 HydrophobicContact CB-CG2 4.41Å; N725-T729 PolarHBondContact O-N 3.45Å
726	K	41.6	Very low	44.2	Very low	163 Å²	163	124.6 Å²	124.6	71%	0.709	63%	0.631	S	S	*	*	H	α-helix	trans	-60.6	-23.3	173	-91.1	-174	175.9	-179.3	0	113.7	S722	S722-K726 PolarHBondContact O-N 2.8Å
727	Q	44.8	Very low	43.2	Very low	170 Å²	170	124.8 Å²	124.8	79%	0.794	64%	0.639	S	S	*	*	H	α-helix	trans	-82.8	-15.1	171.6	-78.3	-179.7	-30	0	0	113.5	T724 N725	T724-Q727 PolarHBondContact O-N 2.83Å; N725-Q727 PolarHBondContact O-N 3.5Å; N725-Q727 VanDerWaalsContact O-N 3.16Å
728	R	43.8	Very low	42	Very low	211 Å²	211	131.8 Å²	131.8	80%	0.796	66%	0.662	S	S	*	*	H	α-helix	trans	-106.4	-25.7	-179.9	-73.5	-173.8	179.5	-168.9	-2.7	114.5	T724 N725 N730	T724-R728 PolarHBondContact O-N 2.95Å; N725-R728 CarbonylContact O-C 3.44Å; N725-R728 WeakPolarHBondContact O-CA 3.23Å; N725-R728 PolarHBondContact O-N 3.03Å; R728-N730 VanDerWaalsContact C-N 3.32Å; R728-N730 PolarHBondContact O-N 3.08Å
729	T	36.9	Very low	40.9	Very low	86 Å²	86	133 Å²	133	53%	0.528	67%	0.669	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.9	39.2	-172.7	62.4	0	0	0	0	114	N725	N725-T729 VanDerWaalsContact O-OG1 3.11Å; N725-T729 PolarHBondContact O-OG1 3.32Å; N725-T729 WeakPolarHBondContact O-CG2 3.17Å; N725-T729 HydrophobicContact CB-CG2 4.41Å; N725-T729 PolarHBondContact O-N 3.45Å
730	N	39.5	Very low	41	Very low	153 Å²	153	128.1 Å²	128.1	82%	0.818	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-3.3	159.8	-90.2	-4.8	0	0	0	112.5	R728	R728-N730 VanDerWaalsContact C-N 3.32Å; R728-N730 PolarHBondContact O-N 3.08Å
731	D	37.1	Very low	40.8	Very low	128 Å²	128	128.2 Å²	128.2	68%	0.684	65%	0.654	S	S	*	*	S	Bend	trans	-138.2	142.2	169.1	-78.9	-52.4	0	0	0	109.9
732	Y	35.2	Very low	40.4	Very low	211 Å²	211	121.9 Å²	121.9	83%	0.827	63%	0.626	S	S	*	*			trans	89.3	93.7	174.7	-64.8	-86.3	0	0	0	119	D734	Y732-D734 PolarHBondContact O-N 3.3Å
733	D	37.1	Very low	40.1	Very low	166 Å²	166	120.7 Å²	120.7	89%	0.888	62%	0.62	S	S	*	*			trans	-71.7	101.4	154.5	-83.7	-35.7	0	0	0	109.8
734	D	39.6	Very low	39.9	Very low	130 Å²	130	124.6 Å²	124.6	70%	0.695	63%	0.629	S	S	*	*			trans	-125.2	99.8	167.3	-115.8	-23.9	0	0	0	111.5	Y732 S736	Y732-D734 PolarHBondContact O-N 3.3Å; D734-S736 PolarHBondContact O-N 3.34Å; D734-S736 VanDerWaalsContact O-N 3.1Å
735	T	36.6	Very low	39.6	Very low	143 Å²	143	122.1 Å²	122.1	88%	0.877	62%	0.615	S	S	*	*			trans	-80.9	77	176.1	54.4	0	0	0	0	110.2
736	S	33.6	Very low	39.2	Very low	97 Å²	97	124.8 Å²	124.8	68%	0.678	62%	0.622	S	S	*	*			trans	-153.2	33.8	166.9	66.1	0	0	0	0	115.2	D734 F738	D734-S736 PolarHBondContact O-N 3.34Å; D734-S736 VanDerWaalsContact O-N 3.1Å; S736-F738 PolarHBondContact O-N 2.71Å
737	N	34.7	Very low	38.9	Very low	149 Å²	149	119.5 Å²	119.5	80%	0.797	60%	0.604	S	S	*	*			trans	-83.5	104.7	169.1	-76.5	-24.3	0	0	0	110.3	E739	N737-E739 PolarHBondContact O-N 2.79Å
738	F	34.9	Very low	38.4	Very low	188 Å²	188	115.3 Å²	115.3	83%	0.825	59%	0.593	S	S	*	*			trans	-65.4	88.6	161.4	-172.4	-95.6	0	0	0	107.5	S736 D740	S736-F738 PolarHBondContact O-N 2.71Å; F738-D740 PolarHBondContact O-N 3.49Å
739	E	34.7	Very low	37.8	Very low	132 Å²	132	109.4 Å²	109.4	62%	0.617	58%	0.584	S	S	*	*			trans	-69.7	122.1	175.4	-79	-170	142.9	0	0	109.5	N737 P741	N737-E739 PolarHBondContact O-N 2.79Å; E739-P741 WeakPolarHBondContact O-CD 3.12Å; E739-P741 VanDerWaalsContact O-N 3.16Å
740	D	43.9	Very low	37.4	Very low	66 Å²	66	114.3 Å²	114.3	35%	0.353	60%	0.599	S	S	.	*			trans	-49.9	119.3	172.4	-176.7	-4.7	0	0	0	109.8	F738 Y742 A743	F738-D740 PolarHBondContact O-N 3.49Å; D740-Y742 PolarHBondContact O-N 2.96Å; D740-Y742 PolarHBondContact OD1-N 3.27Å; D740-Y742 WeakPolarHBondContact OD1-CD2 3.48Å; D740-A743 HydrophobicContact CB-CB 4.33Å; D740-A743 WeakPolarHBondContact O-CB 3.42Å; D740-A743 PolarHBondContact O-N 3.08Å
741	P	40.9	Very low	36.9	Very low	61 Å²	61	119.1 Å²	119.1	40%	0.396	62%	0.616	S	S	.	*	G	3₁₀ helix	trans	-58.3	-19.2	-177.4	20.9	-32.2	0	0	0	113.4	E739 A743	E739-P741 WeakPolarHBondContact O-CD 3.12Å; E739-P741 VanDerWaalsContact O-N 3.16Å; P741-A743 VanDerWaalsContact C-N 3.35Å
742	Y	45.9	Very low	36.9	Very low	19 Å²	19	118.7 Å²	118.7	8%	0.075	61%	0.613	C	S	.	*	G	3₁₀ helix	trans	-84.8	-2.6	177.8	-54.3	-72.7	0	0	0	114.1	N591 I646 R650 D740	N591-Y742 PolarHBondContact ND2-OH 2.85Å; N591-Y742 VanDerWaalsContact ND2-OH 3.07Å; I646-Y742 HydrophobicContact CG2-CD1 4.24Å; I646-Y742 HydrophobicContact CG2-CG 4.48Å; R650-Y742 VanDerWaalsContact CZ-O 3.3Å; R650-Y742 PolarHBondContact NH1-O 3.39Å; D740-Y742 PolarHBondContact O-N 2.96Å; D740-Y742 PolarHBondContact OD1-N 3.27Å; D740-Y742 WeakPolarHBondContact OD1-CD2 3.48Å
743	A	43.3	Very low	37	Very low	37 Å²	37	113.8 Å²	113.8	31%	0.306	60%	0.601	S	S	.	*	G	3₁₀ helix	trans	-92.2	1	-174.4	0	0	0	0	0	115.4	D740 P741 C745	D740-A743 HydrophobicContact CB-CB 4.33Å; D740-A743 WeakPolarHBondContact O-CB 3.42Å; D740-A743 PolarHBondContact O-N 3.08Å; P741-A743 VanDerWaalsContact C-N 3.35Å; A743-C745 PolarHBondContact O-N 3.31Å; A743-C745 VanDerWaalsContact O-N 3.15Å
744	K	37.9	Very low	36.9	Very low	139 Å²	139	110.9 Å²	110.9	60%	0.604	59%	0.585	S	S	*	*			trans	-80.9	92.2	179.1	-77.3	-175.2	177.7	177	0	111.8	F746	K744-F746 PolarHBondContact O-N 3.18Å
745	C	42.5	Very low	36.8	Very low	21 Å²	21	109.8 Å²	109.8	14%	0.142	58%	0.579	C	S	.	*			trans	-70.4	119.1	161.9	-77.5	0	0	0	0	110.1	D596 R650 A743	D596-C745 WeakPolarHBondContact OD2-CA 3.49Å; D596-C745 PolarHBondContact OD2-SG 3.35Å; R650-C745 PolarHBondContact NH2-SG 3.07Å; A743-C745 PolarHBondContact O-N 3.31Å; A743-C745 VanDerWaalsContact O-N 3.15Å
746	F	38.7	Very low	36.8	Very low	151 Å²	151	107.7 Å²	107.7	66%	0.662	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-62.1	-22.6	177.7	-121.5	-89.2	0	0	0	117.1	K744 C748	K744-F746 PolarHBondContact O-N 3.18Å; F746-C748 PolarHBondContact O-N 3.39Å
747	P	36.4	Very low	37	Very low	51 Å²	51	108.4 Å²	108.4	33%	0.331	55%	0.553	S	S	.	*	G	3₁₀ helix	trans	-88	1.1	-173.2	6.5	10.9	0	0	0	115.6	Y599 S749 F750	Y599-P747 HydrophobicContact CE2-CG 3.84Å; Y599-P747 WeakPolarHBondContact OH-CG 3.19Å; P747-S749 PolarHBondContact O-N 3.34Å; P747-F750 PolarHBondContact O-N 3.49Å
748	C	33.2	Very low	37.2	Very low	82 Å²	82	105.5 Å²	105.5	55%	0.554	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-70.5	2.1	178.3	-67.5	0	0	0	0	114.2	F746	F746-C748 PolarHBondContact O-N 3.39Å
749	S	31.7	Very low	37.4	Very low	88 Å²	88	99.2 Å²	99.2	62%	0.615	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-102.2	-3	176.1	54.2	0	0	0	0	114.9	P747	P747-S749 PolarHBondContact O-N 3.34Å
750	F	27.5	Very low	37.6	Very low	189 Å²	189	96.4 Å²	96.4	83%	0.829	50%	0.504	S	S	*	.			trans	-111.4	61.1	173.9	-82.4	-79.2	0	0	0	111.5	P747	P747-F750 PolarHBondContact O-N 3.49Å
751	Q	29.2	Very low	37	Very low	253 Å²	253	99.2 Å²	99.2	100%	1.182	52%	0.518	S	S	*	.			trans	-168.8	0	154	-110.3	178.7	-3.6	0	0	107.4

Retrieved 751 of 751 residues in 790.2 ms (Link to these results)

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